A0A087X6R2_POEFO Loading...

C9orf72-SMCR8 complex subunit

AlphaFold DB , UniProt , Accession A0A087X6R2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 462 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
1M34.5Very low40.8Very low247 Ų247123.7 Ų123.7100%1.21779%0.793SS**  0121.60-65.1-151.5-162.500107.3S3M1-S3 PolarHBondContact O-N 3.45Å
2S35.5Very low44Very low118 Ų118115.7 Ų115.783%0.82574%0.74SS**  trans-66.4123.4-170.354.50000111.7G4S2-G4 PolarHBondContact O-N 3.2Å; S2-G4 VanDerWaalsContact O-N 3.07Å
3S36.9Very low47.3Very low116 Ų116110.8 Ų110.881%0.81172%0.717SS**  trans-62.2101.9160.649.40000108.3M1 C5M1-S3 PolarHBondContact O-N 3.45Å; S3-C5 PolarHBondContact O-N 3.44Å
4G33.3Very low50.3Low68 Ų68111 Ų11170%0.70170%0.701SS**PPolyproline II helixtrans-59.2120.5176.500000110.1S2S2-G4 PolarHBondContact O-N 3.2Å; S2-G4 VanDerWaalsContact O-N 3.07Å
5C33.8Very low53Low116 Ų116107.7 Ų107.778%0.78468%0.679SS**PPolyproline II helixtrans-53.2138.6163.7-71.30000108.6S3S3-C5 PolarHBondContact O-N 3.44Å
6P34.5Very low55.3Low109 Ų109107.2 Ų107.271%0.70867%0.666SS**PPolyproline II helixtrans-56.8146.5168.225.4-31.1000108.6Q8P6-Q8 PolarHBondContact O-N 2.99Å; P6-Q8 VanDerWaalsContact O-N 3.08Å
7P34.6Very low57.4Low122 Ų122101.6 Ų101.679%0.79263%0.631SS**PPolyproline II helixtrans-55122.317822.8-31.4000108.3S9P7-S9 PolarHBondContact O-N 3.12Å
8Q37.9Very low59.1Low188 Ų18899.1 Ų99.188%0.87962%0.622SS**  trans-58.5114.9174.2-75.7179.7-18.400107.4P6P6-Q8 PolarHBondContact O-N 2.99Å; P6-Q8 VanDerWaalsContact O-N 3.08Å
9S46.1Very low60.5Low100 Ų10095.3 Ų95.370%0.69960%0.598SS**PPolyproline II helixtrans-50131164.4-60.90000107.5P7 A11P7-S9 PolarHBondContact O-N 3.12Å; S9-A11 PolarHBondContact O-N 3.03Å
10P56.7Low61.5Low89 Ų8997.3 Ų97.358%0.57860%0.6SS**PPolyproline II helixtrans-57.2132-179.722.6-31.9000108.9V12P10-V12 PolarHBondContact O-N 3.06Å
11A65.3Low62.4Low88 Ų8896 Ų9673%0.72761%0.605SS**PPolyproline II helixtrans-52.6133.5-179.500000110.1S9 A13S9-A11 PolarHBondContact O-N 3.03Å; A11-A13 PolarHBondContact O-N 2.9Å
12V79.1Confident64.8Low27 Ų2790.9 Ų90.916%0.16458%0.578CS.*PPolyproline II helixtrans-66.1128.6179.61780000108.5P10 K14 V41 M44P10-V12 PolarHBondContact O-N 3.06Å; V12-K14 PolarHBondContact O-N 2.72Å; V12-V41 HydrophobicContact CG1-CB 4.35Å; V12-V41 HydrophobicContact CG1-CG1 3.7Å; V12-V41 HydrophobicContact CG2-CB 4.31Å; V12-V41 HydrophobicContact CG2-CG1 4.5Å; V12-M44 HydrophobicContact CG1-CB 3.96Å
13A87.1Confident67.4Low53 Ų5386 Ų8644%0.43854%0.543SS..EExtended strand (participates in β ladder)trans-62.3123.7174.700000109.4A11 H43 M44A11-A13 PolarHBondContact O-N 2.9Å; A13-H43 CarbonylContact O-C 3.55Å; A13-H43 WeakPolarHBondContact O-CA 3.3Å; A13-H43 PolarHBondContact O-ND1 3.46Å; A13-M44 PolarHBondContact O-N 3.44Å
14K88.8Confident69.9Low113 Ų11380.9 Ų80.949%0.49151%0.508SS..EExtended strand (participates in β ladder)trans-118135-174.5-173.1-177-179.8-167.70111V12 E16 M44V12-K14 PolarHBondContact O-N 2.72Å; K14-E16 IonicContact NZ-OE1 2.78Å; K14-M44 CarbonylContact C-O 3.52Å; K14-M44 WeakPolarHBondContact CA-O 3.49Å; K14-M44 HydrophobicContact CB-CE 4.32Å; K14-M44 HydrophobicContact CD-CE 3.79Å; K14-M44 HydrophobicContact CG-CE 3.86Å
15T90.6Very high72.7Confident61 Ų6177.7 Ų77.737%0.37447%0.474SS..EExtended strand (participates in β ladder)trans-119.8129.5169-65.40000109.8H43 M44 W45 A46T15-H43 PolarHBondContact OG1-CE1 3.47Å; T15-H43 PolarHBondContact OG1-NE2 3.31Å; T15-M44 PolarHBondContact N-O 3.13Å; T15-W45 WeakPolarHBondContact O-CA 3.44Å; T15-A46 PolarHBondContact O-N 2.65Å
16E90.7Very high75.5Confident100 Ų10072.6 Ų72.647%0.46744%0.439SS..EExtended strand (participates in β ladder)trans-91.8118.6175.8-66.5-171.5169.700111K14 A46 R48K14-E16 IonicContact NZ-OE1 2.78Å; E16-A46 CarbonylContact C-O 3.59Å; E16-A46 VanDerWaalsContact CA-O 3.28Å; E16-A46 WeakPolarHBondContact CA-O 3.42Å; E16-R48 HydrophobicContact CB-CB 4.35Å
17V90Very high78.2Confident13 Ų1367.5 Ų67.58%0.07941%0.407CS..EExtended strand (participates in β ladder)trans-92.4120.2179.6-176.10000108.7V19 W45 A46 P47 R48 A162 M165V17-V19 HydrophobicContact CG1-CG2 3.98Å; V17-V19 PolarHBondContact O-N 2.98Å; V17-W45 HydrophobicContact CG2-CB 4.18Å; V17-A46 PolarHBondContact N-O 2.9Å; V17-P47 CarbonylContact O-C 3.54Å; V17-P47 WeakPolarHBondContact O-CA 3.35Å; V17-R48 WeakPolarHBondContact O-CB 3.31Å; V17-R48 PolarHBondContact O-N 3.44Å; V17-A162 HydrophobicContact CG1-CB 3.73Å; V17-M165 HydrophobicContact CB-SD 3.74Å; V17-M165 HydrophobicContact CG1-SD 3.91Å; V17-M165 HydrophobicContact CG2-SD 3.84Å
18A88.5Confident81.1Confident56 Ų5661.7 Ų61.746%0.46337%0.369SS..PPolyproline II helixtrans-74.8123171.900000109
19V85.4Confident83.8Confident26 Ų2652.9 Ų52.916%0.15833%0.328CS..  trans-125.6137.9178.9-174.30000108V17 G21 C23 P47 M165 A169V17-V19 HydrophobicContact CG1-CG2 3.98Å; V17-V19 PolarHBondContact O-N 2.98Å; V19-G21 PolarHBondContact O-N 2.98Å; V19-C23 HydrophobicContact CB-CB 4.42Å; V19-C23 HydrophobicContact CG1-CB 4.36Å; V19-P47 HydrophobicContact CG2-CB 4.44Å; V19-M165 HydrophobicContact CG2-CB 3.81Å; V19-A169 HydrophobicContact CG1-CB 3.46Å; V19-A169 VanDerWaalsContact CG1-CB 3.46Å
20E80.9Confident86.1Confident136 Ų13648.1 Ų48.164%0.63630%0.295SS*.SBendtrans-75.6120.8173.3-68.5-173163.600110.3R248E20-R248 IonicContact OE2-CZ 2.94Å; E20-R248 IonicContact OE2-NH1 3.48Å; E20-R248 PolarHBondContact OE2-NH1 3.2Å; E20-R248 IonicContact OE2-NH2 3.65Å; E20-R248 PolarHBondContact OE2-NH2 3.38Å; E20-R248 VanDerWaalsContact OE2-NH2 3.14Å
21G80.3Confident87.9Confident69 Ų6944 Ų4471%0.71127%0.268SS*.SBendtrans86.9-166.9179.200000113.9V19 C23V19-G21 PolarHBondContact O-N 2.98Å; G21-C23 PolarHBondContact O-N 3.46Å
22E85.5Confident89.1Confident141 Ų14141.4 Ų41.466%0.65924%0.24SC*.  trans-79.1116.4-179.5-171.1179-178.400110.5
23C88.6Confident89.5Confident14 Ų1442 Ų4210%0.09524%0.239CC..  trans-84.2122.7176.9-169.20000110.2V19 G21 L25 P47V19-C23 HydrophobicContact CB-CB 4.42Å; V19-C23 HydrophobicContact CG1-CB 4.36Å; G21-C23 PolarHBondContact O-N 3.46Å; C23-L25 PolarHBondContact O-N 3.14Å; C23-P47 HydrophobicContact CB-CB 3.73Å; C23-P47 HydrophobicContact CB-CG 4.1Å
24P91.1Very high89.4Confident9 Ų941 Ų416%0.05823%0.226CC..  trans-77.4-6.5-178.930.4-34.1000113.6P118 E121 F124 L168P24-P118 WeakPolarHBondContact O-CD 3.48Å; P24-E121 HydrophobicContact CB-CG 4.26Å; P24-F124 HydrophobicContact CB-CD1 4.43Å; P24-F124 HydrophobicContact CB-CE1 4.04Å; P24-F124 HydrophobicContact CG-CE1 3.71Å; P24-F124 HydrophobicContact CG-CZ 4.32Å; P24-L168 HydrophobicContact CG-CB 3.76Å
25L91.6Very high89Confident1 Ų141.5 Ų41.51%0.00524%0.235CC..  trans-88141.5176.1-6968.9000109.5C23 P47 Q51 V115 L117 M165 L168C23-L25 PolarHBondContact O-N 3.14Å; L25-P47 WeakPolarHBondContact O-CG 3.25Å; L25-Q51 PolarHBondContact O-NE2 3.34Å; L25-V115 HydrophobicContact CD2-CG1 3.44Å; L25-V115 VanDerWaalsContact CD2-CG1 3.44Å; L25-V115 HydrophobicContact CG-CG1 3.9Å; L25-L117 HydrophobicContact CD1-CD2 4.48Å; L25-L117 HydrophobicContact CG-CD2 4.45Å; L25-L117 HydrophobicContact CG-CG 4.34Å; L25-M165 HydrophobicContact CD2-CE 4.32Å; L25-M165 HydrophobicContact CD2-CG 3.86Å; L25-L168 HydrophobicContact CD1-CB 3.71Å; L25-L168 HydrophobicContact CD1-CD1 3.32Å; L25-L168 HydrophobicContact CD1-CG 4.1Å; L25-L168 HydrophobicContact CD2-CD1 4.26Å; L25-L168 HydrophobicContact CG-CD1 4.15Å
26L91.9Very high88.5Confident9 Ų946 Ų465%0.04726%0.255CS..SBendtrans-80.3-46168.5-62.1-177.9000111.2P47 Q51 M53 L55 V93 I116 P118L26-P47 WeakPolarHBondContact O-CD 3.02Å; L26-Q51 PolarHBondContact O-OE1 2.88Å; L26-M53 HydrophobicContact CD1-CG 4.21Å; L26-M53 HydrophobicContact CD1-SD 3.91Å; L26-M53 HydrophobicContact CD2-CB 4.22Å; L26-M53 WeakPolarHBondContact CD2-O 3.41Å; L26-L55 HydrophobicContact CB-CD1 3.9Å; L26-L55 HydrophobicContact CB-CG 4.29Å; L26-L55 HydrophobicContact CD1-CD1 4.47Å; L26-L55 HydrophobicContact CD1-CD2 4.26Å; L26-L55 HydrophobicContact CD1-CG 4.29Å; L26-V93 HydrophobicContact CD1-CG1 3.8Å; L26-I116 HydrophobicContact CB-CG2 4.37Å; L26-I116 HydrophobicContact CD1-CG2 4.4Å; L26-I116 PolarHBondContact N-O 3.35Å; L26-P118 HydrophobicContact CD1-CG 4.29Å; L26-P118 HydrophobicContact CD2-CG 3.82Å; L26-P118 HydrophobicContact CG-CG 3.95Å
27A92.4Very high88.1Confident2 Ų246.6 Ų46.62%0.01726%0.261CS..EExtended strand (participates in β ladder)trans-164.2165.4178.200000110.9M44 W45 L55 I116A27-M44 HydrophobicContact CB-CG 4.06Å; A27-M44 HydrophobicContact CB-SD 4.16Å; A27-W45 CarbonylContact C-O 3.53Å; A27-W45 VanDerWaalsContact CA-O 3.28Å; A27-W45 WeakPolarHBondContact CA-O 3.36Å; A27-L55 HydrophobicContact CB-CD1 4.07Å; A27-I116 HydrophobicContact CB-CD1 4.39Å; A27-I116 PolarHBondContact O-N 2.96Å
28A94.7Very high87.9Confident0 Ų046.6 Ų46.60%026%0.263CS..EExtended strand (participates in β ladder)trans-118.5142.4156.700000109.5M44 W45 S114 I161 M165A28-M44 CarbonylContact O-C 3.59Å; A28-M44 WeakPolarHBondContact O-CA 3.46Å; A28-W45 HydrophobicContact CB-CB 4.43Å; A28-W45 HydrophobicContact CB-CE3 4.11Å; A28-W45 PolarHBondContact N-O 3.05Å; A28-W45 PolarHBondContact O-N 3.46Å; A28-S114 CarbonylContact C-O 3.59Å; A28-S114 WeakPolarHBondContact CA-O 3.35Å; A28-I161 HydrophobicContact CB-CD1 3.79Å; A28-I161 HydrophobicContact CB-CG1 4.4Å; A28-I161 HydrophobicContact CB-CG2 3.88Å; A28-M165 HydrophobicContact CB-CE 4.36Å
29T94.7Very high87.9Confident4 Ų444.2 Ų44.23%0.02524%0.242CC..EExtended strand (participates in β ladder)trans-129.1140.4-176.461.60000111.2V41 H43 M44 V60 L113 S114 I116T29-V41 HydrophobicContact CG2-CG1 4.41Å; T29-H43 WeakPolarHBondContact CA-O 3.4Å; T29-M44 HydrophobicContact CG2-CB 4.42Å; T29-M44 HydrophobicContact CG2-CG 4.15Å; T29-V60 HydrophobicContact CG2-CG1 4.03Å; T29-L113 WeakPolarHBondContact O-CA 3.44Å; T29-S114 PolarHBondContact N-O 3.25Å; T29-S114 PolarHBondContact O-N 2.85Å; T29-I116 HydrophobicContact CG2-CD1 3.92Å
30F94.6Very high88Confident0 Ų046.2 Ų46.20%025%0.247CC..EExtended strand (participates in β ladder)trans-107.8118168179-110.8000109.2R42 H43 W45 F100 C111 I153 I154 L157F30-R42 HydrophobicContact CD1-CB 3.99Å; F30-R42 HydrophobicContact CE1-CB 4.46Å; F30-R42 PolarHBondContact O-N 2.97Å; F30-H43 PolarHBondContact N-O 2.82Å; F30-H43 PolarHBondContact O-N 3.35Å; F30-W45 HydrophobicContact CB-CH2 3.94Å; F30-W45 HydrophobicContact CB-CZ3 3.84Å; F30-F100 HydrophobicContact CE2-CE1 4.38Å; F30-F100 AromaticContact CE2-CZ 3.81Å; F30-F100 HydrophobicContact CE2-CZ 3.81Å; F30-C111 HydrophobicContact CE2-CB 3.84Å; F30-C111 HydrophobicContact CZ-CB 4.04Å; F30-I153 HydrophobicContact CD1-CG2 4.35Å; F30-I153 HydrophobicContact CE1-CG2 3.73Å; F30-I153 HydrophobicContact CE2-CD1 4.29Å; F30-I153 HydrophobicContact CZ-CD1 4.38Å; F30-I153 HydrophobicContact CZ-CG2 3.83Å; F30-I154 HydrophobicContact CB-CD1 4.12Å; F30-I154 HydrophobicContact CD1-CD1 3.66Å; F30-I154 HydrophobicContact CE1-CD1 4.46Å; F30-I154 HydrophobicContact CG-CD1 4.12Å; F30-L157 HydrophobicContact CB-CD1 4.4Å; F30-L157 HydrophobicContact CD2-CD1 3.76Å; F30-L157 HydrophobicContact CE2-CD1 4.29Å; F30-L157 HydrophobicContact CG-CD1 4.11Å
31A93.2Very high88.5Confident2 Ų240.5 Ų40.52%0.01722%0.222CC..EExtended strand (participates in β ladder)trans-121.1155.4-178.900000111.6R40 V41 A64 L68 C111 A112A31-R40 CarbonylContact C-O 3.58Å; A31-R40 WeakPolarHBondContact CA-O 3.33Å; A31-R40 WeakPolarHBondContact CB-O 3.32Å; A31-V41 HydrophobicContact CB-CG2 4.29Å; A31-A64 HydrophobicContact CB-CB 4Å; A31-L68 HydrophobicContact CB-CD1 3.86Å; A31-C111 CarbonylContact O-C 3.51Å; A31-C111 WeakPolarHBondContact O-CA 3.08Å; A31-A112 PolarHBondContact N-O 2.91Å; A31-A112 PolarHBondContact O-N 3.47Å
32Y90.9Very high88.9Confident34 Ų3441 Ų4113%0.13320%0.202CC..EExtended strand (participates in β ladder)trans-141.5156.7174.768.9-77.5000110.7D34 R40 R42 L104 T110Y32-D34 HydrophobicContact CE2-CB 4.05Å; Y32-R40 HydrophobicContact CE1-CB 4.06Å; Y32-R40 PolarHBondContact N-O 3.11Å; Y32-R40 PolarHBondContact O-N 2.8Å; Y32-R42 HydrophobicContact CD1-CB 3.96Å; Y32-R42 HydrophobicContact CE1-CB 3.88Å; Y32-R42 HydrophobicContact CE1-CG 4.47Å; Y32-L104 HydrophobicContact CD1-CD2 4.32Å; Y32-L104 HydrophobicContact CD2-CD2 3.88Å; Y32-L104 HydrophobicContact CE1-CD2 4.43Å; Y32-L104 HydrophobicContact CE2-CD2 3.98Å; Y32-L104 HydrophobicContact CG-CD2 4.06Å; Y32-T110 CarbonylContact C-O 3.46Å; Y32-T110 WeakPolarHBondContact CA-O 3.3Å
33W88.9Confident89.3Confident38 Ų3835 Ų3514%0.14417%0.174CC..EExtended strand (participates in β ladder)trans-79.8121.6170.9-173.5-89.1000110.4P39 L68 N69 I72 N109 T110W33-P39 HydrophobicContact CE3-CG 3.67Å; W33-P39 HydrophobicContact CH2-CG 4.38Å; W33-P39 HydrophobicContact CZ3-CG 3.41Å; W33-P39 VanDerWaalsContact CZ3-CG 3.41Å; W33-L68 HydrophobicContact CE3-CB 4.33Å; W33-N69 WeakPolarHBondContact CZ3-OD1 3.45Å; W33-I72 HydrophobicContact CD2-CG1 4.21Å; W33-I72 HydrophobicContact CE3-CG1 4.07Å; W33-I72 HydrophobicContact CH2-CD1 3.18Å; W33-I72 HydrophobicContact CH2-CG1 3.43Å; W33-I72 VanDerWaalsContact CH2-CG1 3.43Å; W33-I72 HydrophobicContact CZ2-CD1 3.39Å; W33-I72 HydrophobicContact CZ2-CG1 3.53Å; W33-I72 HydrophobicContact CZ3-CD1 3.9Å; W33-I72 HydrophobicContact CZ3-CG1 3.7Å; W33-N109 PolarHBondContact O-OD1 2.78Å; W33-N109 VanDerWaalsContact O-OD1 3.05Å; W33-T110 PolarHBondContact N-O 2.99Å
34D84.4Confident89.5Confident32 Ų3234.9 Ų34.917%0.17117%0.172CC..EExtended strand (participates in β ladder)trans-99.1125.8169.3-175.2-59.8000108.8Y32 I36 L37 G38 R40Y32-D34 HydrophobicContact CE2-CB 4.05Å; D34-I36 PolarHBondContact O-N 3.26Å; D34-I36 VanDerWaalsContact O-N 3.1Å; D34-I36 WeakPolarHBondContact OD1-CA 3.43Å; D34-I36 WeakPolarHBondContact OD1-CB 3.5Å; D34-I36 PolarHBondContact OD1-N 2.88Å; D34-L37 HydrophobicContact CB-CB 4.18Å; D34-L37 PolarHBondContact O-N 3.3Å; D34-L37 PolarHBondContact OD1-N 2.99Å; D34-G38 VanDerWaalsContact CB-O 3.27Å; D34-G38 WeakPolarHBondContact CB-O 3.41Å; D34-G38 PolarHBondContact N-O 3.39Å; D34-G38 VanDerWaalsContact O-CA 3.26Å; D34-G38 WeakPolarHBondContact O-CA 3.06Å; D34-G38 PolarHBondContact O-N 3.44Å; D34-R40 HydrophobicContact CB-CG 4.28Å; D34-R40 IonicContact OD2-NH1 3.77Å
35N79.9Confident89.6Confident125 Ų12534.6 Ų34.667%0.66817%0.17SC*.THydrogen-bonded Turntrans-64.6-16.9-175.2-69-35.7000114.2
36I79.9Confident89.6Confident156 Ų15635 Ų3580%0.817%0.173SC*.THydrogen-bonded Turntrans-102.1-43.8179.9-57.9174.2000110.2D34D34-I36 PolarHBondContact O-N 3.26Å; D34-I36 VanDerWaalsContact O-N 3.1Å; D34-I36 WeakPolarHBondContact OD1-CA 3.43Å; D34-I36 WeakPolarHBondContact OD1-CB 3.5Å; D34-I36 PolarHBondContact OD1-N 2.88Å
37L82.1Confident89.6Confident112 Ų11235.1 Ų35.159%0.58617%0.174SC*.THydrogen-bonded Turntrans-104-7.4-169.5-61.3176.1000114.2D34 R40D34-L37 HydrophobicContact CB-CB 4.18Å; D34-L37 PolarHBondContact O-N 3.3Å; D34-L37 PolarHBondContact OD1-N 2.99Å; L37-R40 HydrophobicContact CB-CG 4.47Å
38G85.8Confident89.1Confident12 Ų1242.4 Ų42.412%0.12420%0.202CC..EExtended strand (participates in β ladder)trans77.8-154.6-174.800000113.1D34 R40D34-G38 VanDerWaalsContact CB-O 3.27Å; D34-G38 WeakPolarHBondContact CB-O 3.41Å; D34-G38 PolarHBondContact N-O 3.39Å; D34-G38 VanDerWaalsContact O-CA 3.26Å; D34-G38 WeakPolarHBondContact O-CA 3.06Å; D34-G38 PolarHBondContact O-N 3.44Å; G38-R40 PolarHBondContact O-N 3.48Å
39P88.7Confident87.8Confident6 Ų645.3 Ų45.34%0.03923%0.231CC..EExtended strand (participates in β ladder)trans-62129.1-178.7-26.437.6000113.3W33 N65 L68 N69W33-P39 HydrophobicContact CE3-CG 3.67Å; W33-P39 HydrophobicContact CH2-CG 4.38Å; W33-P39 HydrophobicContact CZ3-CG 3.41Å; W33-P39 VanDerWaalsContact CZ3-CG 3.41Å; P39-N65 WeakPolarHBondContact CB-OD1 3.28Å; P39-N65 VanDerWaalsContact CD-OD1 3.31Å; P39-N65 WeakPolarHBondContact CD-OD1 3.46Å; P39-N65 WeakPolarHBondContact CG-OD1 3.5Å; P39-L68 HydrophobicContact CB-CB 3.96Å; P39-L68 HydrophobicContact CB-CD1 4.19Å; P39-L68 HydrophobicContact CG-CB 3.8Å; P39-N69 WeakPolarHBondContact CD-OD1 2.93Å; P39-N69 WeakPolarHBondContact CG-OD1 3.46Å
40R88.4Confident86Confident68 Ų6854.9 Ų54.926%0.25728%0.276SS..EExtended strand (participates in β ladder)trans-133.7136.8178.8-64.1-171.166.7-159.6-1.2111.9A31 Y32 D34 L37 G38A31-R40 CarbonylContact C-O 3.58Å; A31-R40 WeakPolarHBondContact CA-O 3.33Å; A31-R40 WeakPolarHBondContact CB-O 3.32Å; Y32-R40 HydrophobicContact CE1-CB 4.06Å; Y32-R40 PolarHBondContact N-O 3.11Å; Y32-R40 PolarHBondContact O-N 2.8Å; D34-R40 HydrophobicContact CB-CG 4.28Å; D34-R40 IonicContact OD2-NH1 3.77Å; L37-R40 HydrophobicContact CB-CG 4.47Å; G38-R40 PolarHBondContact O-N 3.48Å
41V90.6Very high84.5Confident16 Ų1657 Ų5710%0.09729%0.286CS..EExtended strand (participates in β ladder)trans-82.9121.9170.6-175.60000108.9V12 T29 A31 H43 V60 A64V12-V41 HydrophobicContact CG1-CB 4.35Å; V12-V41 HydrophobicContact CG1-CG1 3.7Å; V12-V41 HydrophobicContact CG2-CB 4.31Å; V12-V41 HydrophobicContact CG2-CG1 4.5Å; T29-V41 HydrophobicContact CG2-CG1 4.41Å; A31-V41 HydrophobicContact CB-CG2 4.29Å; V41-H43 WeakPolarHBondContact CG1-O 3.48Å; V41-V60 HydrophobicContact CB-CG1 4.08Å; V41-V60 HydrophobicContact CG1-CG1 3.93Å; V41-V60 HydrophobicContact CG2-CG1 3.69Å; V41-A64 HydrophobicContact CG2-CB 3.45Å; V41-A64 VanDerWaalsContact CG2-CB 3.45Å
42R89.8Confident82.6Confident81 Ų8163.4 Ų63.431%0.30633%0.327SS..EExtended strand (participates in β ladder)trans-88.6-37.3177.5-176.5171.5174.4163.1-6.7111.5F30 Y32 L104F30-R42 HydrophobicContact CD1-CB 3.99Å; F30-R42 HydrophobicContact CE1-CB 4.46Å; F30-R42 PolarHBondContact O-N 2.97Å; Y32-R42 HydrophobicContact CD1-CB 3.96Å; Y32-R42 HydrophobicContact CE1-CB 3.88Å; Y32-R42 HydrophobicContact CE1-CG 4.47Å; R42-L104 VanDerWaalsContact NH1-CG 3.28Å
43H92.5Very high81.3Confident15 Ų1565.9 Ų65.97%0.06934%0.341CS..EExtended strand (participates in β ladder)trans-152150-175.2-164.276.5000112A13 T15 T29 F30 V41 W45 I154A13-H43 CarbonylContact O-C 3.55Å; A13-H43 WeakPolarHBondContact O-CA 3.3Å; A13-H43 PolarHBondContact O-ND1 3.46Å; T15-H43 PolarHBondContact OG1-CE1 3.47Å; T15-H43 PolarHBondContact OG1-NE2 3.31Å; T29-H43 WeakPolarHBondContact CA-O 3.4Å; F30-H43 PolarHBondContact N-O 2.82Å; F30-H43 PolarHBondContact O-N 3.35Å; V41-H43 WeakPolarHBondContact CG1-O 3.48Å; H43-W45 AromaticContact CD2-CD2 3.67Å; H43-W45 AromaticContact CD2-CE2 3.35Å; H43-W45 AromaticContact CD2-CH2 3.97Å; H43-W45 AromaticContact CD2-CZ2 3.54Å; H43-W45 AromaticContact CD2-NE1 3.68Å; H43-W45 AromaticContact NE2-CD1 3.9Å; H43-W45 AromaticContact NE2-CE2 3.75Å; H43-W45 AromaticContact NE2-NE1 3.56Å; H43-I154 HydrophobicContact CB-CD1 3.47Å; H43-I154 VanDerWaalsContact CB-CD1 3.47Å; H43-I154 HydrophobicContact CB-CG1 4.14Å; H43-I154 HydrophobicContact CB-CG2 4.48Å
44M93.1Very high80.2Confident11 Ų1168.1 Ų68.15%0.05437%0.367CS..EExtended strand (participates in β ladder)trans-133.4126.9177.4179.9172.562.600110.8V12 A13 K14 T15 A27 A28 T29 V60V12-M44 HydrophobicContact CG1-CB 3.96Å; A13-M44 PolarHBondContact O-N 3.44Å; K14-M44 CarbonylContact C-O 3.52Å; K14-M44 WeakPolarHBondContact CA-O 3.49Å; K14-M44 HydrophobicContact CB-CE 4.32Å; K14-M44 HydrophobicContact CD-CE 3.79Å; K14-M44 HydrophobicContact CG-CE 3.86Å; T15-M44 PolarHBondContact N-O 3.13Å; A27-M44 HydrophobicContact CB-CG 4.06Å; A27-M44 HydrophobicContact CB-SD 4.16Å; A28-M44 CarbonylContact O-C 3.59Å; A28-M44 WeakPolarHBondContact O-CA 3.46Å; T29-M44 HydrophobicContact CG2-CB 4.42Å; T29-M44 HydrophobicContact CG2-CG 4.15Å; M44-V60 HydrophobicContact SD-CG2 3.81Å
45W93.8Very high79.7Confident3 Ų368 Ų681%0.01137%0.367CS..EExtended strand (participates in β ladder)trans-98.3123.4167.1-59.2-88.4000108.6T15 V17 A27 A28 F30 H43 L113 I154 L157 S158 I161 M165T15-W45 WeakPolarHBondContact O-CA 3.44Å; V17-W45 HydrophobicContact CG2-CB 4.18Å; A27-W45 CarbonylContact C-O 3.53Å; A27-W45 VanDerWaalsContact CA-O 3.28Å; A27-W45 WeakPolarHBondContact CA-O 3.36Å; A28-W45 HydrophobicContact CB-CB 4.43Å; A28-W45 HydrophobicContact CB-CE3 4.11Å; A28-W45 PolarHBondContact N-O 3.05Å; A28-W45 PolarHBondContact O-N 3.46Å; F30-W45 HydrophobicContact CB-CH2 3.94Å; F30-W45 HydrophobicContact CB-CZ3 3.84Å; H43-W45 AromaticContact CD2-CD2 3.67Å; H43-W45 AromaticContact CD2-CE2 3.35Å; H43-W45 AromaticContact CD2-CH2 3.97Å; H43-W45 AromaticContact CD2-CZ2 3.54Å; H43-W45 AromaticContact CD2-NE1 3.68Å; H43-W45 AromaticContact NE2-CD1 3.9Å; H43-W45 AromaticContact NE2-CE2 3.75Å; H43-W45 AromaticContact NE2-NE1 3.56Å; W45-L113 HydrophobicContact CZ3-CD1 3.94Å; W45-I154 HydrophobicContact CH2-CD1 3.97Å; W45-I154 HydrophobicContact CZ2-CD1 4.23Å; W45-I154 HydrophobicContact CZ2-CG2 3.9Å; W45-L157 HydrophobicContact CH2-CB 3.57Å; W45-L157 HydrophobicContact CH2-CD1 3.91Å; W45-L157 HydrophobicContact CH2-CG 4.42Å; W45-L157 HydrophobicContact CZ2-CB 3.71Å; W45-S158 PolarHBondContact NE1-OG 3.01Å; W45-I161 HydrophobicContact CB-CG2 3.78Å; W45-I161 HydrophobicContact CD2-CB 4.42Å; W45-I161 HydrophobicContact CD2-CG1 4.28Å; W45-I161 HydrophobicContact CD2-CG2 4.2Å; W45-I161 HydrophobicContact CE3-CG1 4.18Å; W45-I161 HydrophobicContact CG-CB 4.45Å; W45-I161 HydrophobicContact CG-CG2 3.89Å; W45-I161 HydrophobicContact CZ3-CG1 4.45Å; W45-M165 HydrophobicContact CB-CE 4.06Å
46A91.6Very high79.7Confident9 Ų964.9 Ų64.97%0.07436%0.355CS..EExtended strand (participates in β ladder)trans-123.9142.7176.300000109.5T15 E16 V17T15-A46 PolarHBondContact O-N 2.65Å; E16-A46 CarbonylContact C-O 3.59Å; E16-A46 VanDerWaalsContact CA-O 3.28Å; E16-A46 WeakPolarHBondContact CA-O 3.42Å; V17-A46 PolarHBondContact N-O 2.9Å
47P90.6Very high79.3Confident11 Ų1161.7 Ų61.77%0.07134%0.339CS..EExtended strand (participates in β ladder)trans-65.5146.4172.829.2-33.5000110.6V17 V19 C23 L25 L26 G49 Q51V17-P47 CarbonylContact O-C 3.54Å; V17-P47 WeakPolarHBondContact O-CA 3.35Å; V19-P47 HydrophobicContact CG2-CB 4.44Å; C23-P47 HydrophobicContact CB-CB 3.73Å; C23-P47 HydrophobicContact CB-CG 4.1Å; L25-P47 WeakPolarHBondContact O-CG 3.25Å; L26-P47 WeakPolarHBondContact O-CD 3.02Å; P47-G49 PolarHBondContact O-N 3.38Å; P47-Q51 VanDerWaalsContact CG-CD 3.49Å; P47-Q51 HydrophobicContact CG-CG 4.34Å
48R83.4Confident79.1Confident156 Ų15658.8 Ų58.859%0.58934%0.337SS*.SBendtrans-79.5115.5178.6-172.7-177.1-64.9168.94.8110E16 V17E16-R48 HydrophobicContact CB-CB 4.35Å; V17-R48 WeakPolarHBondContact O-CB 3.31Å; V17-R48 PolarHBondContact O-N 3.44Å
49G67.4Low78.9Confident60 Ų6061.1 Ų61.162%0.61934%0.344SS*.SBendtrans150.5168.3175.500000112.9P47 Q51P47-G49 PolarHBondContact O-N 3.38Å; G49-Q51 PolarHBondContact O-N 3.06Å
50E57Low78.5Confident205 Ų20560.9 Ų60.996%0.95834%0.343SS*.  trans-71.398.7170.7-72.8-173.5172.100109.1
51Q61.6Low78Confident46 Ų4660.1 Ų60.122%0.21535%0.345CS..  trans-83.4138.3168.5-67-159.4-44.900110.1L25 L26 P47 G49 M53L25-Q51 PolarHBondContact O-NE2 3.34Å; L26-Q51 PolarHBondContact O-OE1 2.88Å; P47-Q51 VanDerWaalsContact CG-CD 3.49Å; P47-Q51 HydrophobicContact CG-CG 4.34Å; G49-Q51 PolarHBondContact O-N 3.06Å; Q51-M53 PolarHBondContact O-N 3.44Å; Q51-M53 VanDerWaalsContact O-N 3.09Å
52P54.9Low77.7Confident135 Ų13563.1 Ų63.188%0.87736%0.358SS*.SBendtrans-63.3-18.5-18023.3-31.7000113.1
53M63.2Low77.3Confident86 Ų8659.6 Ų59.642%0.42435%0.345SS..SBendtrans-132.387.4177.3-175.8178.6-82.900109.8L26 Q51 V93L26-M53 HydrophobicContact CD1-CG 4.21Å; L26-M53 HydrophobicContact CD1-SD 3.91Å; L26-M53 HydrophobicContact CD2-CB 4.22Å; L26-M53 WeakPolarHBondContact CD2-O 3.41Å; Q51-M53 PolarHBondContact O-N 3.44Å; Q51-M53 VanDerWaalsContact O-N 3.09Å; M53-V93 HydrophobicContact SD-CG1 4.2Å
54A65.6Low76.9Confident85 Ų8559 Ų5970%0.70234%0.343SS*.PPolyproline II helixtrans-78.8123.7171.400000109.9S56A54-S56 PolarHBondContact O-N 3.28Å
55L74.4Confident76.5Confident30 Ų3060.8 Ų60.816%0.15735%0.352CS..PPolyproline II helixtrans-70128.6175.1-65.6167.4000110L26 A27 V60 I116L26-L55 HydrophobicContact CB-CD1 3.9Å; L26-L55 HydrophobicContact CB-CG 4.29Å; L26-L55 HydrophobicContact CD1-CD1 4.47Å; L26-L55 HydrophobicContact CD1-CD2 4.26Å; L26-L55 HydrophobicContact CD1-CG 4.29Å; A27-L55 HydrophobicContact CB-CD1 4.07Å; L55-V60 HydrophobicContact CB-CG2 3.98Å; L55-I116 HydrophobicContact CD1-CB 4.38Å; L55-I116 HydrophobicContact CD1-CD1 3.9Å; L55-I116 HydrophobicContact CD1-CG2 3.96Å
56S78.7Confident76Confident60 Ų6065.4 Ų65.442%0.4237%0.374SS..PPolyproline II helixtrans-75155.1170.963.80000111.5A54 G58 E59 V60A54-S56 PolarHBondContact O-N 3.28Å; S56-G58 PolarHBondContact O-N 2.86Å; S56-G58 VanDerWaalsContact O-N 3.14Å; S56-E59 PolarHBondContact N-OE2 2.99Å; S56-E59 WeakPolarHBondContact O-CB 3.35Å; S56-E59 PolarHBondContact O-N 3.14Å; S56-E59 VanDerWaalsContact OG-CD 3.31Å; S56-E59 VanDerWaalsContact OG-CG 3.3Å; S56-E59 WeakPolarHBondContact OG-CG 3.44Å; S56-E59 PolarHBondContact OG-N 3.43Å; S56-E59 PolarHBondContact OG-OE2 3.31Å; S56-V60 PolarHBondContact O-N 3.33Å
57D72.4Confident75.7Confident88 Ų8865 Ų6547%0.47137%0.37SS..Hα-helixtrans-56.4-32176.7-71.5-10.4000112.7T61D57-T61 WeakPolarHBondContact O-CB 3.39Å; D57-T61 PolarHBondContact O-N 2.85Å; D57-T61 PolarHBondContact O-OG1 2.71Å
58G77.4Confident75.5Confident52 Ų5264.5 Ų64.554%0.53637%0.367SS..Hα-helixtrans-67.3-39175.300000112.8S56 T61 F62S56-G58 PolarHBondContact O-N 2.86Å; S56-G58 VanDerWaalsContact O-N 3.14Å; G58-T61 PolarHBondContact O-N 2.6Å; G58-F62 WeakPolarHBondContact O-CB 3.37Å; G58-F62 PolarHBondContact O-N 2.87Å
59E81.6Confident75.4Confident60 Ų6061 Ų6128%0.2836%0.36SS..Hα-helixtrans-69.8-43.9175.5-72.6165.6143.700111.1S56 T61 F62 L63 K91S56-E59 PolarHBondContact N-OE2 2.99Å; S56-E59 WeakPolarHBondContact O-CB 3.35Å; S56-E59 PolarHBondContact O-N 3.14Å; S56-E59 VanDerWaalsContact OG-CD 3.31Å; S56-E59 VanDerWaalsContact OG-CG 3.3Å; S56-E59 WeakPolarHBondContact OG-CG 3.44Å; S56-E59 PolarHBondContact OG-N 3.43Å; S56-E59 PolarHBondContact OG-OE2 3.31Å; E59-T61 PolarHBondContact O-N 3.41Å; E59-F62 WeakPolarHBondContact O-CB 3.38Å; E59-F62 PolarHBondContact O-N 3.4Å; E59-F62 VanDerWaalsContact O-N 3.07Å; E59-L63 WeakPolarHBondContact O-CG 3.01Å; E59-L63 PolarHBondContact O-N 2.83Å; E59-K91 IonicContact OE1-NZ 3.25Å
60V79.7Confident76Confident1 Ų161.4 Ų61.41%0.00636%0.364CS..Hα-helixtrans-56-42.5175.3171.10000111.4T29 V41 M44 L55 S56 L63 A64T29-V60 HydrophobicContact CG2-CG1 4.03Å; V41-V60 HydrophobicContact CB-CG1 4.08Å; V41-V60 HydrophobicContact CG1-CG1 3.93Å; V41-V60 HydrophobicContact CG2-CG1 3.69Å; M44-V60 HydrophobicContact SD-CG2 3.81Å; L55-V60 HydrophobicContact CB-CG2 3.98Å; S56-V60 PolarHBondContact O-N 3.33Å; V60-L63 PolarHBondContact O-N 2.71Å; V60-A64 PolarHBondContact O-N 2.63Å; V60-A64 VanDerWaalsContact O-N 3.14Å
61T79.3Confident77.2Confident52 Ų5252.9 Ų52.932%0.31932%0.324SS..Hα-helixtrans-68.1-41.2176-53.90000112D57 G58 E59 L63 A64 N65D57-T61 WeakPolarHBondContact O-CB 3.39Å; D57-T61 PolarHBondContact O-N 2.85Å; D57-T61 PolarHBondContact O-OG1 2.71Å; G58-T61 PolarHBondContact O-N 2.6Å; E59-T61 PolarHBondContact O-N 3.41Å; T61-L63 VanDerWaalsContact C-N 3.34Å; T61-L63 PolarHBondContact O-N 2.7Å; T61-A64 PolarHBondContact O-N 3.02Å; T61-N65 PolarHBondContact O-N 3.35Å; T61-N65 PolarHBondContact O-ND2 3.43Å; T61-N65 VanDerWaalsContact O-ND2 3.08Å
62F83.1Confident77.4Confident80 Ų8055.3 Ų55.335%0.35134%0.337SS..Hα-helixtrans-60.5-42175.2172.5-93000112.4G58 E59 N65 H66 L88G58-F62 WeakPolarHBondContact O-CB 3.37Å; G58-F62 PolarHBondContact O-N 2.87Å; E59-F62 WeakPolarHBondContact O-CB 3.38Å; E59-F62 PolarHBondContact O-N 3.4Å; E59-F62 VanDerWaalsContact O-N 3.07Å; F62-N65 WeakPolarHBondContact O-CB 3.47Å; F62-N65 PolarHBondContact O-N 2.71Å; F62-H66 AromaticContact CE1-CE1 3.91Å; F62-H66 AromaticContact CE1-ND1 3.64Å; F62-H66 AromaticContact CE2-CE1 3.54Å; F62-H66 AromaticContact CE2-ND1 3.6Å; F62-H66 AromaticContact CZ-CE1 3.19Å; F62-H66 WeakPolarHBondContact CZ-CE1 3.34Å; F62-H66 AromaticContact CZ-ND1 3.32Å; F62-H66 VanDerWaalsContact CZ-ND1 3.32Å; F62-H66 WeakPolarHBondContact CZ-ND1 3.32Å; F62-H66 PolarHBondContact O-N 3.05Å; F62-L88 HydrophobicContact CE1-CD1 4.4Å
63L82.6Confident77.9Confident7 Ų756.8 Ų56.84%0.03734%0.337CS..Hα-helixtrans-64.3-45.5178.3-62.8168.8000110.9E59 V60 T61 N65 H66 T67 L88 V93 I95 I116E59-L63 WeakPolarHBondContact O-CG 3.01Å; E59-L63 PolarHBondContact O-N 2.83Å; V60-L63 PolarHBondContact O-N 2.71Å; T61-L63 VanDerWaalsContact C-N 3.34Å; T61-L63 PolarHBondContact O-N 2.7Å; L63-N65 VanDerWaalsContact C-N 3.29Å; L63-N65 PolarHBondContact O-N 2.75Å; L63-H66 PolarHBondContact O-N 3.31Å; L63-H66 VanDerWaalsContact O-N 3.16Å; L63-T67 PolarHBondContact O-N 3.42Å; L63-T67 PolarHBondContact O-OG1 3.33Å; L63-L88 HydrophobicContact CD2-CD1 3.63Å; L63-V93 HydrophobicContact CD2-CG2 4.22Å; L63-I95 HydrophobicContact CB-CD1 4.23Å; L63-I95 HydrophobicContact CD2-CD1 3.31Å; L63-I95 HydrophobicContact CD2-CG1 4.11Å; L63-I95 HydrophobicContact CG-CD1 4.24Å; L63-I116 HydrophobicContact CD1-CD1 3.71Å; L63-I116 HydrophobicContact CD1-CG1 4.39Å; L63-I116 HydrophobicContact CD1-CG2 4.45Å
64A82.9Confident78.2Confident3 Ų354.7 Ų54.73%0.02533%0.325CS..Hα-helixtrans-59.9-39.8175.900000112.7A31 V41 V60 T61 T67 L68A31-A64 HydrophobicContact CB-CB 4Å; V41-A64 HydrophobicContact CG2-CB 3.45Å; V41-A64 VanDerWaalsContact CG2-CB 3.45Å; V60-A64 PolarHBondContact O-N 2.63Å; V60-A64 VanDerWaalsContact O-N 3.14Å; T61-A64 PolarHBondContact O-N 3.02Å; A64-T67 PolarHBondContact O-N 2.84Å; A64-L68 PolarHBondContact O-N 2.93Å; A64-L68 VanDerWaalsContact O-N 3.1Å
65N84.9Confident77.9Confident48 Ų4856.7 Ų56.726%0.25733%0.333SS..Hα-helixtrans-61.2-44.9174-80.6-47000112.3P39 T61 F62 L63 T67 N69P39-N65 WeakPolarHBondContact CB-OD1 3.28Å; P39-N65 VanDerWaalsContact CD-OD1 3.31Å; P39-N65 WeakPolarHBondContact CD-OD1 3.46Å; P39-N65 WeakPolarHBondContact CG-OD1 3.5Å; T61-N65 PolarHBondContact O-N 3.35Å; T61-N65 PolarHBondContact O-ND2 3.43Å; T61-N65 VanDerWaalsContact O-ND2 3.08Å; F62-N65 WeakPolarHBondContact O-CB 3.47Å; F62-N65 PolarHBondContact O-N 2.71Å; L63-N65 VanDerWaalsContact C-N 3.29Å; L63-N65 PolarHBondContact O-N 2.75Å; N65-T67 VanDerWaalsContact C-N 3.31Å; N65-T67 PolarHBondContact O-N 2.97Å; N65-N69 WeakPolarHBondContact O-CB 3.3Å; N65-N69 PolarHBondContact O-N 3.44Å; N65-N69 VanDerWaalsContact O-N 3.08Å; N65-N69 PolarHBondContact O-ND2 3.48Å; N65-N69 VanDerWaalsContact O-ND2 3.12Å
66H84.6Confident77.5Confident99 Ų9956.8 Ų56.846%0.45834%0.338SS..Hα-helixtrans-63-36177.9-101.178.8000113.2F62 L63F62-H66 AromaticContact CE1-CE1 3.91Å; F62-H66 AromaticContact CE1-ND1 3.64Å; F62-H66 AromaticContact CE2-CE1 3.54Å; F62-H66 AromaticContact CE2-ND1 3.6Å; F62-H66 AromaticContact CZ-CE1 3.19Å; F62-H66 WeakPolarHBondContact CZ-CE1 3.34Å; F62-H66 AromaticContact CZ-ND1 3.32Å; F62-H66 VanDerWaalsContact CZ-ND1 3.32Å; F62-H66 WeakPolarHBondContact CZ-ND1 3.32Å; F62-H66 PolarHBondContact O-N 3.05Å; L63-H66 PolarHBondContact O-N 3.31Å; L63-H66 VanDerWaalsContact O-N 3.16Å
67T84.4Confident76.9Confident1 Ų161.9 Ų61.91%0.00636%0.355CS..Hα-helixtrans-74.6-42.6-179.4-61.70000112.7L63 A64 N65 S97 I99 A112L63-T67 PolarHBondContact O-N 3.42Å; L63-T67 PolarHBondContact O-OG1 3.33Å; A64-T67 PolarHBondContact O-N 2.84Å; N65-T67 VanDerWaalsContact C-N 3.31Å; N65-T67 PolarHBondContact O-N 2.97Å; T67-S97 VanDerWaalsContact CG2-OG 3.27Å; T67-S97 WeakPolarHBondContact CG2-OG 3.5Å; T67-S97 PolarHBondContact OG1-OG 2.89Å; T67-I99 HydrophobicContact CG2-CD1 3.94Å; T67-I99 HydrophobicContact CG2-CG1 4.12Å; T67-A112 HydrophobicContact CG2-CB 3.86Å
68L86.2Confident76.4Confident1 Ų164.3 Ų64.31%0.00538%0.378CS..Hα-helixtrans-102.5-21.9-166.5-72.7174.4000115.6A31 W33 P39 A64 G70 E71 I99 T110 A112A31-L68 HydrophobicContact CB-CD1 3.86Å; W33-L68 HydrophobicContact CE3-CB 4.33Å; P39-L68 HydrophobicContact CB-CB 3.96Å; P39-L68 HydrophobicContact CB-CD1 4.19Å; P39-L68 HydrophobicContact CG-CB 3.8Å; A64-L68 PolarHBondContact O-N 2.93Å; A64-L68 VanDerWaalsContact O-N 3.1Å; L68-G70 PolarHBondContact O-N 3.32Å; L68-G70 VanDerWaalsContact O-N 3.1Å; L68-E71 PolarHBondContact O-N 2.92Å; L68-I99 HydrophobicContact CD2-CG2 4.31Å; L68-T110 HydrophobicContact CD2-CG2 4.02Å; L68-A112 HydrophobicContact CD1-CB 4.24Å; L68-A112 HydrophobicContact CD2-CB 3.75Å; L68-A112 HydrophobicContact CG-CB 4.01Å
69N82.2Confident75.9Confident83 Ų8363.7 Ų63.744%0.44437%0.372SS..THydrogen-bonded Turntrans-59.8-24.7-176.2-81.8-24.9000115.1W33 P39 N65W33-N69 WeakPolarHBondContact CZ3-OD1 3.45Å; P39-N69 WeakPolarHBondContact CD-OD1 2.93Å; P39-N69 WeakPolarHBondContact CG-OD1 3.46Å; N65-N69 WeakPolarHBondContact O-CB 3.3Å; N65-N69 PolarHBondContact O-N 3.44Å; N65-N69 VanDerWaalsContact O-N 3.08Å; N65-N69 PolarHBondContact O-ND2 3.48Å; N65-N69 VanDerWaalsContact O-ND2 3.12Å
70G79.2Confident75.9Confident67 Ų6762.1 Ų62.169%0.69137%0.369SS*.THydrogen-bonded Turntrans-86.2-4.6176.600000115.2L68L68-G70 PolarHBondContact O-N 3.32Å; L68-G70 VanDerWaalsContact O-N 3.1Å
71E81.6Confident76.3Confident27 Ų2763.3 Ų63.313%0.12638%0.376CS..  trans-1034-165.9-62.3-65.812100114.4L68 L73 R74 K84 I99 T110L68-E71 PolarHBondContact O-N 2.92Å; E71-L73 PolarHBondContact O-N 2.92Å; E71-L73 VanDerWaalsContact O-N 3.15Å; E71-R74 WeakPolarHBondContact O-CB 3.2Å; E71-R74 PolarHBondContact O-N 2.92Å; E71-R74 IonicContact OE2-NH1 2.86Å; E71-R74 PolarHBondContact OE2-NH1 3.34Å; E71-R74 VanDerWaalsContact OE2-NH1 3.15Å; E71-K84 WeakPolarHBondContact OE1-CE 3.5Å; E71-K84 IonicContact OE1-NZ 3.14Å; E71-K84 PolarHBondContact OE1-NZ 3.41Å; E71-I99 HydrophobicContact CG-CD1 4.01Å; E71-I99 HydrophobicContact CG-CG2 4.17Å; E71-T110 HydrophobicContact CB-CG2 4.06Å
72I66.4Low76.9Confident96 Ų9664.2 Ų64.249%0.49238%0.379SS..THydrogen-bonded Turntrans-60.9-30-172.6-53.6168.5000112.5W33W33-I72 HydrophobicContact CD2-CG1 4.21Å; W33-I72 HydrophobicContact CE3-CG1 4.07Å; W33-I72 HydrophobicContact CH2-CD1 3.18Å; W33-I72 HydrophobicContact CH2-CG1 3.43Å; W33-I72 VanDerWaalsContact CH2-CG1 3.43Å; W33-I72 HydrophobicContact CZ2-CD1 3.39Å; W33-I72 HydrophobicContact CZ2-CG1 3.53Å; W33-I72 HydrophobicContact CZ3-CD1 3.9Å; W33-I72 HydrophobicContact CZ3-CG1 3.7Å
73L65.2Low77.3Confident167 Ų16763.1 Ų63.187%0.87438%0.379SS*.THydrogen-bonded Turntrans-107.721.7179.6-62.2175.6000112.5E71 S75E71-L73 PolarHBondContact O-N 2.92Å; E71-L73 VanDerWaalsContact O-N 3.15Å; L73-S75 PolarHBondContact O-N 3.31Å; L73-S75 VanDerWaalsContact O-N 3.09Å
74R69.9Low77.9Confident42 Ų4265.6 Ų65.616%0.15839%0.389CS..  trans-56.3116.1-179.1176.4-173.4170.398.710.1110.6E71 A76 D82 I99 D101E71-R74 WeakPolarHBondContact O-CB 3.2Å; E71-R74 PolarHBondContact O-N 2.92Å; E71-R74 IonicContact OE2-NH1 2.86Å; E71-R74 PolarHBondContact OE2-NH1 3.34Å; E71-R74 VanDerWaalsContact OE2-NH1 3.15Å; R74-A76 HydrophobicContact CG-CB 3.88Å; R74-D82 IonicContact CZ-OD2 2.59Å; R74-D82 IonicContact NE-OD2 3.87Å; R74-D82 IonicContact NH1-OD2 2.69Å; R74-D82 PolarHBondContact NH1-OD2 2.81Å; R74-D82 VanDerWaalsContact NH2-CG 3.3Å; R74-D82 IonicContact NH2-OD1 3.63Å; R74-D82 IonicContact NH2-OD2 3.15Å; R74-D82 PolarHBondContact NH2-OD2 2.84Å; R74-I99 VanDerWaalsContact NH1-CG2 3.34Å; R74-I99 PolarHBondContact NH2-O 3.31Å; R74-D101 IonicContact NE-OD1 3.38Å
75S59.9Low78.4Confident126 Ų12668.9 Ų68.988%0.88140%0.403SS*.  trans-103.467.7170.3174.90000109L73L73-S75 PolarHBondContact O-N 3.31Å; L73-S75 VanDerWaalsContact O-N 3.09Å
76A65.7Low78.7Confident32 Ų3269.3 Ų69.326%0.26440%0.403SS..PPolyproline II helixtrans-86151177.100000111.2R74 A80R74-A76 HydrophobicContact CG-CB 3.88Å; A76-A80 HydrophobicContact CB-CB 4.36Å
77E64.9Low79.1Confident167 Ų16767.7 Ų67.778%0.7840%0.4SS*.PPolyproline II helixtrans-59143.6170.6-66.2-173.1166.700110.6G79 A80E77-G79 PolarHBondContact O-N 3.45Å; E77-G79 VanDerWaalsContact O-N 3.08Å; E77-A80 HydrophobicContact CB-CB 4.44Å; E77-A80 VanDerWaalsContact O-CB 3.31Å; E77-A80 WeakPolarHBondContact O-CB 3.33Å; E77-A80 PolarHBondContact O-N 3.01Å
78C62Low79.4Confident140 Ų14069.3 Ų69.395%0.94641%0.408SS*.THydrogen-bonded Turntrans-57.7119.1-179.7-170.40000110.1
79G66.9Low79.4Confident39 Ų3972.5 Ų72.540%0.40244%0.435SS..THydrogen-bonded Turntrans95.4-5.9-179.400000115.4E77 R144E77-G79 PolarHBondContact O-N 3.45Å; E77-G79 VanDerWaalsContact O-N 3.08Å; G79-R144 PolarHBondContact O-NH1 3.49Å; G79-R144 VanDerWaalsContact O-NH1 3.1Å
80A81.4Confident79.7Confident27 Ų2777.6 Ų77.622%0.22346%0.456CS..  trans-66.2149.3176.600000112.1A76 E77 R144A76-A80 HydrophobicContact CB-CB 4.36Å; E77-A80 HydrophobicContact CB-CB 4.44Å; E77-A80 VanDerWaalsContact O-CB 3.31Å; E77-A80 WeakPolarHBondContact O-CB 3.33Å; E77-A80 PolarHBondContact O-N 3.01Å; A80-R144 PolarHBondContact O-NH1 2.92Å
81V89.1Confident80Confident26 Ų2678.8 Ų78.816%0.15844%0.442CS..EExtended strand (participates in β ladder)trans-129113.1171.5-179.30000105.9L98 I99 F100 T137 I140V81-L98 HydrophobicContact CG1-CB 3.86Å; V81-L98 HydrophobicContact CG1-CD2 3.96Å; V81-L98 HydrophobicContact CG1-CG 4.44Å; V81-I99 WeakPolarHBondContact CA-O 3.38Å; V81-F100 HydrophobicContact CG1-CB 4.45Å; V81-F100 HydrophobicContact CG2-CB 4.09Å; V81-T137 HydrophobicContact CB-CG2 4.22Å; V81-T137 HydrophobicContact CG2-CG2 4.26Å; V81-I140 HydrophobicContact CG1-CD1 3.99Å; V81-I140 HydrophobicContact CG2-CG2 3.8Å
82D91.1Very high80.4Confident70 Ų7078.5 Ų78.537%0.37445%0.446SS..EExtended strand (participates in β ladder)trans-93.8144.1-180-62-34.7000110.6R74 L98 I99R74-D82 IonicContact CZ-OD2 2.59Å; R74-D82 IonicContact NE-OD2 3.87Å; R74-D82 IonicContact NH1-OD2 2.69Å; R74-D82 PolarHBondContact NH1-OD2 2.81Å; R74-D82 VanDerWaalsContact NH2-CG 3.3Å; R74-D82 IonicContact NH2-OD1 3.63Å; R74-D82 IonicContact NH2-OD2 3.15Å; R74-D82 PolarHBondContact NH2-OD2 2.84Å; D82-L98 CarbonylContact O-C 2.95Å; D82-L98 WeakPolarHBondContact O-CA 2.98Å; D82-I99 PolarHBondContact N-O 3.11Å; D82-I99 PolarHBondContact O-N 3.41Å
83V93.1Very high81.6Confident58 Ų5874 Ų7435%0.35242%0.424SS..EExtended strand (participates in β ladder)trans-107.9126.2179.9-175.10000108.5V96 S97 L98 V133V83-V96 HydrophobicContact CG1-CG1 4.14Å; V83-S97 WeakPolarHBondContact CA-O 3.49Å; V83-L98 HydrophobicContact CG2-CD2 4.41Å; V83-L98 HydrophobicContact CG2-CG 4.37Å; V83-V133 HydrophobicContact CG1-CG2 3.93Å; V83-V133 HydrophobicContact CG2-CG1 3.56Å; V83-V133 HydrophobicContact CG2-CG2 4.4Å
84K93.4Very high83Confident58 Ų5866.1 Ų66.125%0.25238%0.382SS..EExtended strand (participates in β ladder)trans-114.9134.1169.4-64.7-164.7-175.7174.70110.1E71 F86 V96 S97 I99E71-K84 WeakPolarHBondContact OE1-CE 3.5Å; E71-K84 IonicContact OE1-NZ 3.14Å; E71-K84 PolarHBondContact OE1-NZ 3.41Å; K84-F86 HydrophobicContact CB-CD2 4.18Å; K84-F86 HydrophobicContact CB-CE2 3.45Å; K84-F86 VanDerWaalsContact CB-CE2 3.45Å; K84-F86 HydrophobicContact CB-CZ 3.79Å; K84-F86 HydrophobicContact CD-CE1 4.48Å; K84-F86 HydrophobicContact CD-CE2 3.9Å; K84-F86 HydrophobicContact CD-CZ 3.48Å; K84-F86 VanDerWaalsContact CD-CZ 3.48Å; K84-F86 HydrophobicContact CG-CE2 4.35Å; K84-F86 HydrophobicContact CG-CZ 4.29Å; K84-V96 WeakPolarHBondContact O-CA 3.42Å; K84-S97 PolarHBondContact N-O 2.94Å; K84-S97 PolarHBondContact O-N 3.18Å; K84-I99 HydrophobicContact CD-CD1 3.6Å; K84-I99 HydrophobicContact CG-CD1 3.85Å
85F94Very high84.1Confident73 Ų7364.2 Ų64.232%0.3238%0.375SS..EExtended strand (participates in β ladder)trans-116.5116177.7-171.9-86.3000108.9V87 I94 V96 L122 Y125 L126F85-V87 HydrophobicContact CD1-CG2 4.21Å; F85-V87 HydrophobicContact CE1-CG2 3.57Å; F85-V87 HydrophobicContact CZ-CG2 4.46Å; F85-I94 HydrophobicContact CE1-CG2 4.1Å; F85-I94 HydrophobicContact CE2-CG2 3.69Å; F85-I94 HydrophobicContact CZ-CG2 3.42Å; F85-I94 VanDerWaalsContact CZ-CG2 3.42Å; F85-V96 HydrophobicContact CD2-CG2 3.51Å; F85-V96 HydrophobicContact CE2-CG2 3.65Å; F85-L122 HydrophobicContact CE1-CD1 3.97Å; F85-L122 HydrophobicContact CZ-CD1 3.54Å; F85-Y125 HydrophobicContact CE2-CD1 4.09Å; F85-Y125 AromaticContact CE2-CE1 3.96Å; F85-Y125 HydrophobicContact CE2-CE1 3.96Å; F85-L126 HydrophobicContact CZ-CD2 4.28Å
86F91.7Very high85.8Confident56 Ų5658.2 Ų58.225%0.24633%0.333CS..EExtended strand (participates in β ladder)trans-116.4137.3-178.8-59-79.5000110.7K84 I94 I95K84-F86 HydrophobicContact CB-CD2 4.18Å; K84-F86 HydrophobicContact CB-CE2 3.45Å; K84-F86 VanDerWaalsContact CB-CE2 3.45Å; K84-F86 HydrophobicContact CB-CZ 3.79Å; K84-F86 HydrophobicContact CD-CE1 4.48Å; K84-F86 HydrophobicContact CD-CE2 3.9Å; K84-F86 HydrophobicContact CD-CZ 3.48Å; K84-F86 VanDerWaalsContact CD-CZ 3.48Å; K84-F86 HydrophobicContact CG-CE2 4.35Å; K84-F86 HydrophobicContact CG-CZ 4.29Å; F86-I94 CarbonylContact O-C 3.53Å; F86-I94 VanDerWaalsContact O-CA 3.32Å; F86-I94 WeakPolarHBondContact O-CA 3.36Å; F86-I95 HydrophobicContact CB-CB 4.22Å; F86-I95 HydrophobicContact CB-CD1 4.47Å; F86-I95 HydrophobicContact CD2-CB 4.36Å; F86-I95 PolarHBondContact N-O 3.41Å; F86-I95 PolarHBondContact O-N 3.38Å
87V92.8Very high87.2Confident66 Ų6656.7 Ų56.740%0.432%0.321SS..EExtended strand (participates in β ladder)trans-115.1106.2168.7-175.60000107.5F85 A89 I94 Q119F85-V87 HydrophobicContact CD1-CG2 4.21Å; F85-V87 HydrophobicContact CE1-CG2 3.57Å; F85-V87 HydrophobicContact CZ-CG2 4.46Å; V87-A89 PolarHBondContact O-N 2.91Å; V87-I94 HydrophobicContact CG2-CG1 4.47Å; V87-Q119 HydrophobicContact CG1-CG 4.18Å
88L90.2Very high88.7Confident34 Ų3448.8 Ų48.818%0.17828%0.284CS..EExtended strand (participates in β ladder)trans-9984.7180-63.7-175000109.5F62 L63 E90 K91 G92 V93 I95F62-L88 HydrophobicContact CE1-CD1 4.4Å; L63-L88 HydrophobicContact CD2-CD1 3.63Å; L88-E90 VanDerWaalsContact C-N 3.27Å; L88-E90 PolarHBondContact O-N 3.38Å; L88-K91 HydrophobicContact CB-CB 4.39Å; L88-K91 CarbonylContact O-C 3.43Å; L88-K91 PolarHBondContact O-N 3.46Å; L88-K91 VanDerWaalsContact O-N 3.08Å; L88-G92 PolarHBondContact O-N 3.48Å; L88-V93 HydrophobicContact CB-CG2 4.05Å; L88-V93 HydrophobicContact CD1-CG2 4.39Å; L88-V93 PolarHBondContact N-O 2.98Å; L88-V93 PolarHBondContact O-N 3.35Å; L88-I95 HydrophobicContact CD1-CD1 3.68Å; L88-I95 HydrophobicContact CG-CD1 4.3Å
89A87.9Confident90.2Very high69 Ų6942.1 Ų42.157%0.5724%0.239SC*.G310 helixtrans-59.5-35.4-176.800000113.3V87 K91 G92V87-A89 PolarHBondContact O-N 2.91Å; A89-K91 PolarHBondContact O-N 3.44Å; A89-G92 PolarHBondContact O-N 3.35Å; A89-G92 VanDerWaalsContact O-N 3.17Å
90E86.5Confident91.4Very high190 Ų19040.2 Ų40.289%0.88822%0.219SC*.G310 helixtrans-62.1-27177.8-62.1-178.7177.300113.3L88L88-E90 VanDerWaalsContact C-N 3.27Å; L88-E90 PolarHBondContact O-N 3.38Å
91K85.9Confident91.7Very high91 Ų9141.3 Ų41.340%0.39622%0.222SC..G310 helixtrans-106.5-4.2179.1-66.5-60.6-171.7172.20112.8E59 L88 A89 V93E59-K91 IonicContact OE1-NZ 3.25Å; L88-K91 HydrophobicContact CB-CB 4.39Å; L88-K91 CarbonylContact O-C 3.43Å; L88-K91 PolarHBondContact O-N 3.46Å; L88-K91 VanDerWaalsContact O-N 3.08Å; A89-K91 PolarHBondContact O-N 3.44Å; K91-V93 VanDerWaalsContact C-N 3.26Å; K91-V93 HydrophobicContact CB-CG2 3.95Å; K91-V93 PolarHBondContact O-N 3.46Å
92G89.8Confident91.6Very high21 Ų2140.5 Ų40.522%0.21622%0.218CC..THydrogen-bonded Turntrans61.332.1-177.800000113.3L88 A89 Q119L88-G92 PolarHBondContact O-N 3.48Å; A89-G92 PolarHBondContact O-N 3.35Å; A89-G92 VanDerWaalsContact O-N 3.17Å; G92-Q119 WeakPolarHBondContact O-CB 3.35Å; G92-Q119 PolarHBondContact O-N 3.05Å
93V92.1Very high91.3Very high3 Ų340.2 Ų40.22%0.01821%0.214CC..EExtended strand (participates in β ladder)trans-128.5155-178.5-61.50000113.2L26 M53 L63 L88 K91 I116 L117L26-V93 HydrophobicContact CD1-CG1 3.8Å; M53-V93 HydrophobicContact SD-CG1 4.2Å; L63-V93 HydrophobicContact CD2-CG2 4.22Å; L88-V93 HydrophobicContact CB-CG2 4.05Å; L88-V93 HydrophobicContact CD1-CG2 4.39Å; L88-V93 PolarHBondContact N-O 2.98Å; L88-V93 PolarHBondContact O-N 3.35Å; K91-V93 VanDerWaalsContact C-N 3.26Å; K91-V93 HydrophobicContact CB-CG2 3.95Å; K91-V93 PolarHBondContact O-N 3.46Å; V93-I116 HydrophobicContact CB-CG2 4.26Å; V93-I116 HydrophobicContact CG1-CG2 4.41Å; V93-L117 CarbonylContact C-O 3.59Å; V93-L117 VanDerWaalsContact CA-O 3.31Å; V93-L117 WeakPolarHBondContact CA-O 3.34Å
94I94.1Very high90.7Very high0 Ų038.1 Ų38.10%020%0.201CC..EExtended strand (participates in β ladder)trans-112.6139169.4-61.7153.5000107.6F85 F86 V87 I116 L117 P118 L122F85-I94 HydrophobicContact CE1-CG2 4.1Å; F85-I94 HydrophobicContact CE2-CG2 3.69Å; F85-I94 HydrophobicContact CZ-CG2 3.42Å; F85-I94 VanDerWaalsContact CZ-CG2 3.42Å; F86-I94 CarbonylContact O-C 3.53Å; F86-I94 VanDerWaalsContact O-CA 3.32Å; F86-I94 WeakPolarHBondContact O-CA 3.36Å; V87-I94 HydrophobicContact CG2-CG1 4.47Å; I94-I116 WeakPolarHBondContact O-CA 3.48Å; I94-L117 PolarHBondContact N-O 3.02Å; I94-L117 PolarHBondContact O-N 2.6Å; I94-P118 WeakPolarHBondContact CD1-O 3.47Å; I94-L122 VanDerWaalsContact CD1-CA 3.46Å; I94-L122 HydrophobicContact CD1-CB 3.58Å; I94-L122 HydrophobicContact CD1-CD1 3.7Å; I94-L122 HydrophobicContact CD1-CG 4.19Å; I94-L122 HydrophobicContact CG1-CD1 4.29Å
95I93.8Very high89.8Confident2 Ų244.5 Ų44.51%0.0123%0.229CC..EExtended strand (participates in β ladder)trans-125.7126.3177-43.3169.5000108.6L63 F86 L88 S97 V115 I116L63-I95 HydrophobicContact CB-CD1 4.23Å; L63-I95 HydrophobicContact CD2-CD1 3.31Å; L63-I95 HydrophobicContact CD2-CG1 4.11Å; L63-I95 HydrophobicContact CG-CD1 4.24Å; F86-I95 HydrophobicContact CB-CB 4.22Å; F86-I95 HydrophobicContact CB-CD1 4.47Å; F86-I95 HydrophobicContact CD2-CB 4.36Å; F86-I95 PolarHBondContact N-O 3.41Å; F86-I95 PolarHBondContact O-N 3.38Å; L88-I95 HydrophobicContact CD1-CD1 3.68Å; L88-I95 HydrophobicContact CG-CD1 4.3Å; I95-S97 WeakPolarHBondContact CG2-OG 3Å; I95-V115 WeakPolarHBondContact CA-O 3.21Å; I95-I116 HydrophobicContact CG2-CG1 4.43Å
96V95.9Very high88.8Confident1 Ų143.5 Ų43.51%0.00624%0.239CC..EExtended strand (participates in β ladder)trans-109.8111167-173.90000108.2V83 K84 F85 S114 V115 Y125 V133V83-V96 HydrophobicContact CG1-CG1 4.14Å; K84-V96 WeakPolarHBondContact O-CA 3.42Å; F85-V96 HydrophobicContact CD2-CG2 3.51Å; F85-V96 HydrophobicContact CE2-CG2 3.65Å; V96-S114 CarbonylContact O-C 3.59Å; V96-S114 VanDerWaalsContact O-CA 3.27Å; V96-S114 WeakPolarHBondContact O-CA 3.2Å; V96-V115 PolarHBondContact N-O 3.47Å; V96-V115 PolarHBondContact O-N 3.47Å; V96-Y125 HydrophobicContact CG2-CD1 4.46Å; V96-Y125 HydrophobicContact CG2-CE1 3.52Å; V96-V133 HydrophobicContact CG1-CG2 4.23Å
97S95.1Very high88.2Confident0 Ų045.7 Ų45.70%025%0.253CS..EExtended strand (participates in β ladder)trans-112.3123.9-177.1-640000110.7T67 V83 K84 I95 L113 S114T67-S97 VanDerWaalsContact CG2-OG 3.27Å; T67-S97 WeakPolarHBondContact CG2-OG 3.5Å; T67-S97 PolarHBondContact OG1-OG 2.89Å; V83-S97 WeakPolarHBondContact CA-O 3.49Å; K84-S97 PolarHBondContact N-O 2.94Å; K84-S97 PolarHBondContact O-N 3.18Å; I95-S97 WeakPolarHBondContact CG2-OG 3Å; S97-L113 CarbonylContact C-O 3.56Å; S97-L113 WeakPolarHBondContact CA-O 3.13Å; S97-S114 WeakPolarHBondContact CB-OG 3.23Å; S97-S114 PolarHBondContact OG-OG 3.18Å
98L95.3Very high87.7Confident0 Ų051.5 Ų51.50%027%0.273CS..EExtended strand (participates in β ladder)trans-97115.7168.5-65.496.3000108.8V81 D82 V83 A112 L113 V133 L136 T137 I140V81-L98 HydrophobicContact CG1-CB 3.86Å; V81-L98 HydrophobicContact CG1-CD2 3.96Å; V81-L98 HydrophobicContact CG1-CG 4.44Å; D82-L98 CarbonylContact O-C 2.95Å; D82-L98 WeakPolarHBondContact O-CA 2.98Å; V83-L98 HydrophobicContact CG2-CD2 4.41Å; V83-L98 HydrophobicContact CG2-CG 4.37Å; L98-A112 CarbonylContact O-C 3.53Å; L98-A112 VanDerWaalsContact O-CA 3.31Å; L98-A112 WeakPolarHBondContact O-CA 3.42Å; L98-L113 PolarHBondContact N-O 2.82Å; L98-L113 PolarHBondContact O-N 3.48Å; L98-V133 HydrophobicContact CD2-CG1 4.39Å; L98-L136 HydrophobicContact CD1-CB 3.91Å; L98-L136 HydrophobicContact CD1-CD1 3.65Å; L98-L136 HydrophobicContact CD1-CG 4.43Å; L98-L136 HydrophobicContact CD2-CB 3.91Å; L98-T137 VanDerWaalsContact CD2-OG1 3.31Å; L98-T137 WeakPolarHBondContact CD2-OG1 3.39Å; L98-I140 HydrophobicContact CB-CD1 3.44Å; L98-I140 VanDerWaalsContact CB-CD1 3.44Å; L98-I140 HydrophobicContact CD2-CD1 3.87Å; L98-I140 HydrophobicContact CG-CD1 4.2Å
99I93.5Very high87.5Confident0 Ų050.7 Ų50.70%027%0.269CS..EExtended strand (participates in β ladder)trans-107.4131.1-173.7-51.8174.7000108.7T67 L68 E71 R74 V81 D82 K84 T110 C111 A112T67-I99 HydrophobicContact CG2-CD1 3.94Å; T67-I99 HydrophobicContact CG2-CG1 4.12Å; L68-I99 HydrophobicContact CD2-CG2 4.31Å; E71-I99 HydrophobicContact CG-CD1 4.01Å; E71-I99 HydrophobicContact CG-CG2 4.17Å; R74-I99 VanDerWaalsContact NH1-CG2 3.34Å; R74-I99 PolarHBondContact NH2-O 3.31Å; V81-I99 WeakPolarHBondContact CA-O 3.38Å; D82-I99 PolarHBondContact N-O 3.11Å; D82-I99 PolarHBondContact O-N 3.41Å; K84-I99 HydrophobicContact CD-CD1 3.6Å; K84-I99 HydrophobicContact CG-CD1 3.85Å; I99-T110 HydrophobicContact CG2-CG2 3.78Å; I99-C111 WeakPolarHBondContact CA-O 3.43Å; I99-A112 HydrophobicContact CG1-CB 4.29Å
100F92Very high87.6Confident0 Ų048.5 Ų48.50%025%0.248CC..EExtended strand (participates in β ladder)trans-155.4160.5-174.464.6-85.7000111.6F30 V81 C111 L113 I140 R144 M147 I153F30-F100 HydrophobicContact CE2-CE1 4.38Å; F30-F100 AromaticContact CE2-CZ 3.81Å; F30-F100 HydrophobicContact CE2-CZ 3.81Å; V81-F100 HydrophobicContact CG1-CB 4.45Å; V81-F100 HydrophobicContact CG2-CB 4.09Å; F100-C111 HydrophobicContact CD1-CB 4.41Å; F100-C111 HydrophobicContact CD2-CB 4.2Å; F100-C111 HydrophobicContact CE1-CB 4.03Å; F100-C111 HydrophobicContact CE2-CB 3.8Å; F100-C111 HydrophobicContact CZ-CB 3.73Å; F100-C111 PolarHBondContact N-O 3.29Å; F100-C111 PolarHBondContact O-N 3.48Å; F100-L113 HydrophobicContact CE1-CB 4.43Å; F100-I140 HydrophobicContact CB-CG2 4.01Å; F100-I140 HydrophobicContact CD1-CB 4.49Å; F100-I140 HydrophobicContact CD1-CD1 3.85Å; F100-I140 HydrophobicContact CD1-CG1 4.13Å; F100-I140 HydrophobicContact CD1-CG2 3.53Å; F100-I140 HydrophobicContact CD2-CG2 3.69Å; F100-I140 HydrophobicContact CE1-CB 4.43Å; F100-I140 HydrophobicContact CE1-CD1 3.85Å; F100-I140 HydrophobicContact CE1-CG1 3.81Å; F100-I140 HydrophobicContact CE1-CG2 3.78Å; F100-I140 HydrophobicContact CE2-CG2 3.92Å; F100-I140 HydrophobicContact CG-CG2 3.46Å; F100-I140 VanDerWaalsContact CG-CG2 3.46Å; F100-I140 HydrophobicContact CZ-CG1 4.28Å; F100-I140 HydrophobicContact CZ-CG2 3.94Å; F100-R144 HydrophobicContact CD2-CG 3.74Å; F100-R144 HydrophobicContact CE2-CG 3.97Å; F100-M147 HydrophobicContact CE2-SD 4.12Å; F100-I153 HydrophobicContact CE2-CD1 4.27Å; F100-I153 HydrophobicContact CZ-CD1 4.04Å
101D88.9Confident87.9Confident50 Ų5039.4 Ų39.427%0.26721%0.206SC..EExtended strand (participates in β ladder)trans-90129.8175-47.4-55.8000110.8R74 R144R74-D101 IonicContact NE-OD1 3.38Å; D101-R144 PolarHBondContact O-NE 3.34Å; D101-R144 PolarHBondContact O-NH2 3.3Å
102G85.8Confident88.3Confident8 Ų835.1 Ų35.18%0.08219%0.187CC..EExtended strand (participates in β ladder)trans-130.6162.5177.500000112N109G102-N109 PolarHBondContact N-O 2.98Å; G102-N109 PolarHBondContact O-N 2.85Å; G102-N109 VanDerWaalsContact O-O 3.08Å
103E85.4Confident88.6Confident64 Ų6434.1 Ų34.130%0.29918%0.177SC..EExtended strand (participates in β ladder)trans-105.1109175.7-166.6168.3166.100109.8D107 M147 Q148E103-D107 CarbonylContact C-O 3.5Å; E103-D107 WeakPolarHBondContact CA-O 3.46Å; E103-M147 CarbonylContact O-C 3.38Å; E103-M147 VanDerWaalsContact O-CB 3.31Å; E103-M147 WeakPolarHBondContact O-CB 3.42Å; E103-Q148 HydrophobicContact CB-CG 4.35Å
104L80.3Confident88.7Confident15 Ų1534.1 Ų34.18%0.07918%0.177CC..EExtended strand (participates in β ladder)trans-109.8113.5-177.9-147.188.1000108.1Y32 R42 G106 D107 N109 M147Y32-L104 HydrophobicContact CD1-CD2 4.32Å; Y32-L104 HydrophobicContact CD2-CD2 3.88Å; Y32-L104 HydrophobicContact CE1-CD2 4.43Å; Y32-L104 HydrophobicContact CE2-CD2 3.98Å; Y32-L104 HydrophobicContact CG-CD2 4.06Å; R42-L104 VanDerWaalsContact NH1-CG 3.28Å; L104-G106 PolarHBondContact O-N 2.95Å; L104-D107 PolarHBondContact N-O 3.25Å; L104-D107 PolarHBondContact O-N 3.16Å; L104-N109 VanDerWaalsContact CB-ND2 3.35Å; L104-N109 WeakPolarHBondContact CB-ND2 3.31Å; L104-M147 HydrophobicContact CB-CE 4.37Å; L104-M147 HydrophobicContact CD1-CE 3.5Å
105K74Confident88.8Confident192 Ų19234.2 Ų34.284%0.83518%0.178SC*.THydrogen-bonded Turntrans55.433.3-179.8-55.8-179.5175.7-1790113.7D107K105-D107 VanDerWaalsContact C-N 3.33Å
106G72.9Confident88.8Confident51 Ų5134.2 Ų34.253%0.52618%0.178SC..THydrogen-bonded Turntrans87.6-7.8-17900000115L104L104-G106 PolarHBondContact O-N 2.95Å
107D79.2Confident88.7Confident103 Ų10334.1 Ų34.155%0.55118%0.178SC*.EExtended strand (participates in β ladder)trans-96.6136.1175.1-70-34.2000110.8E103 L104 K105 N109E103-D107 CarbonylContact C-O 3.5Å; E103-D107 WeakPolarHBondContact CA-O 3.46Å; L104-D107 PolarHBondContact N-O 3.25Å; L104-D107 PolarHBondContact O-N 3.16Å; K105-D107 VanDerWaalsContact C-N 3.33Å; D107-N109 PolarHBondContact O-N 3.24Å; D107-N109 PolarHBondContact O-ND2 3.47Å
108K83.4Confident88.6Confident188 Ų18835.3 Ų35.382%0.81719%0.185SC*.EExtended strand (participates in β ladder)trans-72.8120.1169.7-68.4-174.8179.8-179.50109.1
109N85.6Confident88.6Confident16 Ų1638.7 Ų38.79%0.08620%0.201CC..EExtended strand (participates in β ladder)trans-129144.3-178.8-65.3-75.3000110.1W33 G102 L104 D107W33-N109 PolarHBondContact O-OD1 2.78Å; W33-N109 VanDerWaalsContact O-OD1 3.05Å; G102-N109 PolarHBondContact N-O 2.98Å; G102-N109 PolarHBondContact O-N 2.85Å; G102-N109 VanDerWaalsContact O-O 3.08Å; L104-N109 VanDerWaalsContact CB-ND2 3.35Å; L104-N109 WeakPolarHBondContact CB-ND2 3.31Å; D107-N109 PolarHBondContact O-N 3.24Å; D107-N109 PolarHBondContact O-ND2 3.47Å
110T90.1Very high88.6Confident23 Ų2344.5 Ų44.514%0.14124%0.236CC..EExtended strand (participates in β ladder)trans-77125.7166.6-51.60000108.5Y32 W33 L68 E71 I99Y32-T110 CarbonylContact C-O 3.46Å; Y32-T110 WeakPolarHBondContact CA-O 3.3Å; W33-T110 PolarHBondContact N-O 2.99Å; L68-T110 HydrophobicContact CD2-CG2 4.02Å; E71-T110 HydrophobicContact CB-CG2 4.06Å; I99-T110 HydrophobicContact CG2-CG2 3.78Å
111C92.3Very high88.7Confident0 Ų045.7 Ų45.70%024%0.242CC..EExtended strand (participates in β ladder)trans-116.1154-178.8-61.70000110.6F30 A31 I99 F100F30-C111 HydrophobicContact CE2-CB 3.84Å; F30-C111 HydrophobicContact CZ-CB 4.04Å; A31-C111 CarbonylContact O-C 3.51Å; A31-C111 WeakPolarHBondContact O-CA 3.08Å; I99-C111 WeakPolarHBondContact CA-O 3.43Å; F100-C111 HydrophobicContact CD1-CB 4.41Å; F100-C111 HydrophobicContact CD2-CB 4.2Å; F100-C111 HydrophobicContact CE1-CB 4.03Å; F100-C111 HydrophobicContact CE2-CB 3.8Å; F100-C111 HydrophobicContact CZ-CB 3.73Å; F100-C111 PolarHBondContact N-O 3.29Å; F100-C111 PolarHBondContact O-N 3.48Å
112A94Very high89Confident0 Ų045.7 Ų45.70%024%0.242CC..EExtended strand (participates in β ladder)trans-135.6131.2172.300000110.7A31 T67 L68 L98 I99A31-A112 PolarHBondContact N-O 2.91Å; A31-A112 PolarHBondContact O-N 3.47Å; T67-A112 HydrophobicContact CG2-CB 3.86Å; L68-A112 HydrophobicContact CD1-CB 4.24Å; L68-A112 HydrophobicContact CD2-CB 3.75Å; L68-A112 HydrophobicContact CG-CB 4.01Å; L98-A112 CarbonylContact O-C 3.53Å; L98-A112 VanDerWaalsContact O-CA 3.31Å; L98-A112 WeakPolarHBondContact O-CA 3.42Å; I99-A112 HydrophobicContact CG1-CB 4.29Å
113L96Very high89.4Confident0 Ų048.7 Ų48.70%027%0.266CS..EExtended strand (participates in β ladder)trans-102.9118.3165-179.460.4000108.1T29 W45 S97 L98 F100 L136 I140 L157 I161T29-L113 WeakPolarHBondContact O-CA 3.44Å; W45-L113 HydrophobicContact CZ3-CD1 3.94Å; S97-L113 CarbonylContact C-O 3.56Å; S97-L113 WeakPolarHBondContact CA-O 3.13Å; L98-L113 PolarHBondContact N-O 2.82Å; L98-L113 PolarHBondContact O-N 3.48Å; F100-L113 HydrophobicContact CE1-CB 4.43Å; L113-L136 HydrophobicContact CD2-CB 4.49Å; L113-L136 HydrophobicContact CD2-CD2 3.82Å; L113-I140 HydrophobicContact CB-CD1 4.2Å; L113-I140 HydrophobicContact CD2-CD1 4.18Å; L113-I140 HydrophobicContact CD2-CG1 4.13Å; L113-L157 HydrophobicContact CD1-CD1 4.22Å; L113-L157 HydrophobicContact CD2-CD2 3.83Å; L113-I161 HydrophobicContact CD1-CD1 4.21Å; L113-I161 HydrophobicContact CD2-CD1 4.4Å
114S95.6Very high89.8Confident4 Ų447.6 Ų47.63%0.02826%0.26CS..EExtended strand (participates in β ladder)trans-117.3137.4-177.1-53.90000111.7A28 T29 V96 S97A28-S114 CarbonylContact C-O 3.59Å; A28-S114 WeakPolarHBondContact CA-O 3.35Å; T29-S114 PolarHBondContact N-O 3.25Å; T29-S114 PolarHBondContact O-N 2.85Å; V96-S114 CarbonylContact O-C 3.59Å; V96-S114 VanDerWaalsContact O-CA 3.27Å; V96-S114 WeakPolarHBondContact O-CA 3.2Å; S97-S114 WeakPolarHBondContact CB-OG 3.23Å; S97-S114 PolarHBondContact OG-OG 3.18Å
115V95.1Very high90.5Very high2 Ų246.9 Ų46.91%0.01226%0.256CS..EExtended strand (participates in β ladder)trans-107128.8168.5-1780000108L25 I95 V96 L117 L136L25-V115 HydrophobicContact CD2-CG1 3.44Å; L25-V115 VanDerWaalsContact CD2-CG1 3.44Å; L25-V115 HydrophobicContact CG-CG1 3.9Å; I95-V115 WeakPolarHBondContact CA-O 3.21Å; V96-V115 PolarHBondContact N-O 3.47Å; V96-V115 PolarHBondContact O-N 3.47Å; V115-L117 HydrophobicContact CG1-CD1 3.81Å; V115-L136 HydrophobicContact CG2-CD1 3.67Å
116I94.3Very high91.5Very high1 Ų142.2 Ų42.21%0.00524%0.24CC..EExtended strand (participates in β ladder)trans-117126.2-173.7-53.3160.9000108.8L26 A27 T29 L55 L63 V93 I94 I95L26-I116 HydrophobicContact CB-CG2 4.37Å; L26-I116 HydrophobicContact CD1-CG2 4.4Å; L26-I116 PolarHBondContact N-O 3.35Å; A27-I116 HydrophobicContact CB-CD1 4.39Å; A27-I116 PolarHBondContact O-N 2.96Å; T29-I116 HydrophobicContact CG2-CD1 3.92Å; L55-I116 HydrophobicContact CD1-CB 4.38Å; L55-I116 HydrophobicContact CD1-CD1 3.9Å; L55-I116 HydrophobicContact CD1-CG2 3.96Å; L63-I116 HydrophobicContact CD1-CD1 3.71Å; L63-I116 HydrophobicContact CD1-CG1 4.39Å; L63-I116 HydrophobicContact CD1-CG2 4.45Å; V93-I116 HydrophobicContact CB-CG2 4.26Å; V93-I116 HydrophobicContact CG1-CG2 4.41Å; I94-I116 WeakPolarHBondContact O-CA 3.48Å; I95-I116 HydrophobicContact CG2-CG1 4.43Å
117L93.9Very high92.6Very high0 Ų041.6 Ų41.60%023%0.226CC..EExtended strand (participates in β ladder)trans-128.5155.9178.6-56.495.1000110.2L25 V93 I94 V115 Y125L25-L117 HydrophobicContact CD1-CD2 4.48Å; L25-L117 HydrophobicContact CG-CD2 4.45Å; L25-L117 HydrophobicContact CG-CG 4.34Å; V93-L117 CarbonylContact C-O 3.59Å; V93-L117 VanDerWaalsContact CA-O 3.31Å; V93-L117 WeakPolarHBondContact CA-O 3.34Å; I94-L117 PolarHBondContact N-O 3.02Å; I94-L117 PolarHBondContact O-N 2.6Å; V115-L117 HydrophobicContact CG1-CD1 3.81Å; L117-Y125 HydrophobicContact CD1-CD2 4.14Å; L117-Y125 HydrophobicContact CD1-CE2 4.29Å; L117-Y125 HydrophobicContact CD1-CG 4.42Å; L117-Y125 HydrophobicContact CD2-CD2 3.75Å; L117-Y125 HydrophobicContact CD2-CG 4.13Å
118P93.6Very high93.3Very high25 Ų2536.7 Ų36.716%0.16220%0.2CC..EExtended strand (participates in β ladder)trans-62.4147.3167.6-17.732.2000110.9P24 L26 I94 T120 E121P24-P118 WeakPolarHBondContact O-CD 3.48Å; L26-P118 HydrophobicContact CD1-CG 4.29Å; L26-P118 HydrophobicContact CD2-CG 3.82Å; L26-P118 HydrophobicContact CG-CG 3.95Å; I94-P118 WeakPolarHBondContact CD1-O 3.47Å; P118-T120 WeakPolarHBondContact CB-OG1 3.45Å; P118-T120 PolarHBondContact O-N 3.48Å; P118-E121 HydrophobicContact CB-CG 4.42Å; P118-E121 HydrophobicContact CG-CG 4.34Å; P118-E121 WeakPolarHBondContact O-CB 3.43Å; P118-E121 PolarHBondContact O-N 3.19Å
119Q93.8Very high93.9Very high71 Ų7130.1 Ų30.133%0.33217%0.172SC..G310 helixtrans-61-27.4177.5-175.2-1780.300112.7V87 G92 E121 L122V87-Q119 HydrophobicContact CG1-CG 4.18Å; G92-Q119 WeakPolarHBondContact O-CB 3.35Å; G92-Q119 PolarHBondContact O-N 3.05Å; Q119-E121 PolarHBondContact O-N 2.93Å; Q119-L122 WeakPolarHBondContact O-CB 3.42Å; Q119-L122 PolarHBondContact O-N 3.42Å
120T94.1Very high94.2Very high121 Ų12132.1 Ų32.174%0.74219%0.191SC*.G310 helixtrans-60.5-22.9175.154.10000113P118P118-T120 WeakPolarHBondContact CB-OG1 3.45Å; P118-T120 PolarHBondContact O-N 3.48Å
121E94.3Very high94.3Very high25 Ų2531.6 Ų31.612%0.11719%0.189CC..G310 helixtrans-91.17.3-178.8-61.2-59.2151.400113.5P24 P118 Q119 A123 F124 Y125 K172P24-E121 HydrophobicContact CB-CG 4.26Å; P118-E121 HydrophobicContact CB-CG 4.42Å; P118-E121 HydrophobicContact CG-CG 4.34Å; P118-E121 WeakPolarHBondContact O-CB 3.43Å; P118-E121 PolarHBondContact O-N 3.19Å; Q119-E121 PolarHBondContact O-N 2.93Å; E121-A123 PolarHBondContact O-N 3.5Å; E121-F124 WeakPolarHBondContact O-CB 3.33Å; E121-F124 PolarHBondContact O-N 2.98Å; E121-Y125 WeakPolarHBondContact O-CB 3.35Å; E121-Y125 PolarHBondContact O-N 3.32Å; E121-K172 IonicContact OE1-NZ 3.67Å; E121-K172 PolarHBondContact OE1-NZ 2.9Å; E121-K172 IonicContact OE2-NZ 3.68Å; E121-K172 PolarHBondContact OE2-NZ 3.19Å
122L94.9Very high94.4Very high51 Ų5131.7 Ų31.727%0.26719%0.19SC..Hα-helixtrans-53.8-54.2-177.5-175.156.3000112.9F85 I94 Q119 F124 Y125 L126F85-L122 HydrophobicContact CE1-CD1 3.97Å; F85-L122 HydrophobicContact CZ-CD1 3.54Å; I94-L122 VanDerWaalsContact CD1-CA 3.46Å; I94-L122 HydrophobicContact CD1-CB 3.58Å; I94-L122 HydrophobicContact CD1-CD1 3.7Å; I94-L122 HydrophobicContact CD1-CG 4.19Å; I94-L122 HydrophobicContact CG1-CD1 4.29Å; Q119-L122 WeakPolarHBondContact O-CB 3.42Å; Q119-L122 PolarHBondContact O-N 3.42Å; L122-F124 PolarHBondContact O-N 2.94Å; L122-Y125 PolarHBondContact O-N 3.35Å; L122-L126 HydrophobicContact CD1-CD1 4.11Å; L122-L126 HydrophobicContact CD1-CD2 4.31Å; L122-L126 HydrophobicContact CD1-CG 4Å; L122-L126 HydrophobicContact CG-CD1 4.06Å; L122-L126 HydrophobicContact CG-CG 4.38Å; L122-L126 WeakPolarHBondContact O-CG 3.41Å; L122-L126 PolarHBondContact O-N 3.17Å
123A93.8Very high94.4Very high70 Ų7032.6 Ų32.658%0.57920%0.195SC*.Hα-helixtrans-66.4-28-176.500000112.5E121 P127E121-A123 PolarHBondContact O-N 3.5Å; A123-P127 WeakPolarHBondContact O-CD 3.43Å
124F95.1Very high94.1Very high41 Ų4137.3 Ų37.318%0.1822%0.217CC..Hα-helixtrans-73-43.2174.8164.9-101.6000111.5P24 E121 L122 P127 L128 L168 M171 K172P24-F124 HydrophobicContact CB-CD1 4.43Å; P24-F124 HydrophobicContact CB-CE1 4.04Å; P24-F124 HydrophobicContact CG-CE1 3.71Å; P24-F124 HydrophobicContact CG-CZ 4.32Å; E121-F124 WeakPolarHBondContact O-CB 3.33Å; E121-F124 PolarHBondContact O-N 2.98Å; L122-F124 PolarHBondContact O-N 2.94Å; F124-P127 WeakPolarHBondContact O-CD 3.48Å; F124-L128 HydrophobicContact CE1-CD1 4.44Å; F124-L128 HydrophobicContact CE2-CD1 4.23Å; F124-L128 HydrophobicContact CZ-CD1 3.96Å; F124-L168 HydrophobicContact CE1-CD2 4.04Å; F124-L168 HydrophobicContact CZ-CD2 4.29Å; F124-L168 WeakPolarHBondContact CZ-O 3.47Å; F124-M171 HydrophobicContact CE2-CB 3.95Å; F124-M171 HydrophobicContact CZ-CB 3.9Å; F124-K172 HydrophobicContact CD2-CD 4.37Å; F124-K172 HydrophobicContact CE2-CB 4.34Å; F124-K172 HydrophobicContact CE2-CD 4.3Å; F124-K172 HydrophobicContact CZ-CB 4.19Å
125Y95.4Very high93.9Very high1 Ų138.9 Ų38.90%0.00422%0.223CC..Hα-helixtrans-77.5-34.4-174.6177.9-95.1000113.7F85 V96 L117 E121 L122 L128 H129 C132 L168F85-Y125 HydrophobicContact CE2-CD1 4.09Å; F85-Y125 AromaticContact CE2-CE1 3.96Å; F85-Y125 HydrophobicContact CE2-CE1 3.96Å; V96-Y125 HydrophobicContact CG2-CD1 4.46Å; V96-Y125 HydrophobicContact CG2-CE1 3.52Å; L117-Y125 HydrophobicContact CD1-CD2 4.14Å; L117-Y125 HydrophobicContact CD1-CE2 4.29Å; L117-Y125 HydrophobicContact CD1-CG 4.42Å; L117-Y125 HydrophobicContact CD2-CD2 3.75Å; L117-Y125 HydrophobicContact CD2-CG 4.13Å; E121-Y125 WeakPolarHBondContact O-CB 3.35Å; E121-Y125 PolarHBondContact O-N 3.32Å; L122-Y125 PolarHBondContact O-N 3.35Å; Y125-L128 CarbonylContact O-C 3.35Å; Y125-L128 WeakPolarHBondContact O-CA 3.29Å; Y125-L128 PolarHBondContact O-N 3.21Å; Y125-H129 HydrophobicContact CD1-CB 4.38Å; Y125-H129 HydrophobicContact CE1-CB 3.79Å; Y125-H129 AromaticContact CE1-CG 3.97Å; Y125-H129 AromaticContact CE1-ND1 3.43Å; Y125-H129 WeakPolarHBondContact CE1-ND1 3.42Å; Y125-H129 AromaticContact CZ-ND1 3.77Å; Y125-H129 PolarHBondContact O-N 3.01Å; Y125-H129 PolarHBondContact OH-ND1 3.08Å; Y125-C132 HydrophobicContact CE2-CB 4.31Å; Y125-L168 HydrophobicContact CD2-CD2 4.38Å
126L94.9Very high93.9Very high94 Ų9438.9 Ų38.949%0.49222%0.222SC..Hα-helixtrans-52-46.1-173.5-80.4172.2000114.6F85 L122 L128 H129F85-L126 HydrophobicContact CZ-CD2 4.28Å; L122-L126 HydrophobicContact CD1-CD1 4.11Å; L122-L126 HydrophobicContact CD1-CD2 4.31Å; L122-L126 HydrophobicContact CD1-CG 4Å; L122-L126 HydrophobicContact CG-CD1 4.06Å; L122-L126 HydrophobicContact CG-CG 4.38Å; L122-L126 WeakPolarHBondContact O-CG 3.41Å; L122-L126 PolarHBondContact O-N 3.17Å; L126-L128 VanDerWaalsContact C-N 3.27Å; L126-L128 PolarHBondContact O-N 3.11Å; L126-H129 VanDerWaalsContact O-CB 3.3Å; L126-H129 WeakPolarHBondContact O-CB 3.47Å; L126-H129 PolarHBondContact O-N 2.74Å
127P94.6Very high93.8Very high37 Ų3739.8 Ų39.824%0.2423%0.228CC..Hα-helixtrans-61.3-34.4175.5-23.434.8000113.2A123 F124 H129 K242 C243A123-P127 WeakPolarHBondContact O-CD 3.43Å; F124-P127 WeakPolarHBondContact O-CD 3.48Å; P127-H129 VanDerWaalsContact C-N 3.35Å; P127-K242 HydrophobicContact CB-CB 3.93Å; P127-K242 HydrophobicContact CG-CB 3.83Å; P127-K242 HydrophobicContact CG-CD 4.05Å; P127-C243 WeakPolarHBondContact CB-SG 3.41Å; P127-C243 PolarHBondContact O-SG 2.95Å
128L95.3Very high93.6Very high1 Ų140.4 Ų40.41%0.00523%0.231CC..Hα-helixtrans-85.3-8.2-177-61.5174.2000113.4F124 Y125 L126 A130 A131 C132 L168 M171 C243 L259F124-L128 HydrophobicContact CE1-CD1 4.44Å; F124-L128 HydrophobicContact CE2-CD1 4.23Å; F124-L128 HydrophobicContact CZ-CD1 3.96Å; Y125-L128 CarbonylContact O-C 3.35Å; Y125-L128 WeakPolarHBondContact O-CA 3.29Å; Y125-L128 PolarHBondContact O-N 3.21Å; L126-L128 VanDerWaalsContact C-N 3.27Å; L126-L128 PolarHBondContact O-N 3.11Å; L128-A130 PolarHBondContact O-N 3.38Å; L128-A131 PolarHBondContact O-N 2.82Å; L128-C132 PolarHBondContact O-N 2.93Å; L128-C132 PolarHBondContact O-SG 3.43Å; L128-L168 HydrophobicContact CB-CD2 4.27Å; L128-L168 HydrophobicContact CD1-CD2 3.57Å; L128-M171 HydrophobicContact CD1-CB 3.85Å; L128-M171 HydrophobicContact CD1-CG 3.86Å; L128-M171 HydrophobicContact CD2-CE 4.17Å; L128-M171 HydrophobicContact CD2-CG 4.3Å; L128-C243 HydrophobicContact CD2-CB 4.42Å; L128-L259 HydrophobicContact CD2-CD2 3.95Å
129H95.3Very high93.5Very high49 Ų4939.2 Ų39.223%0.22722%0.223CC..Hα-helixtrans-53.5-49.7-174.4176.860.6000112.7Y125 L126 P127 A131 C132 V133Y125-H129 HydrophobicContact CD1-CB 4.38Å; Y125-H129 HydrophobicContact CE1-CB 3.79Å; Y125-H129 AromaticContact CE1-CG 3.97Å; Y125-H129 AromaticContact CE1-ND1 3.43Å; Y125-H129 WeakPolarHBondContact CE1-ND1 3.42Å; Y125-H129 AromaticContact CZ-ND1 3.77Å; Y125-H129 PolarHBondContact O-N 3.01Å; Y125-H129 PolarHBondContact OH-ND1 3.08Å; L126-H129 VanDerWaalsContact O-CB 3.3Å; L126-H129 WeakPolarHBondContact O-CB 3.47Å; L126-H129 PolarHBondContact O-N 2.74Å; P127-H129 VanDerWaalsContact C-N 3.35Å; H129-A131 PolarHBondContact O-N 3.12Å; H129-C132 PolarHBondContact O-N 3.48Å; H129-V133 WeakPolarHBondContact CE1-CG2 3.44Å; H129-V133 WeakPolarHBondContact O-CB 3.46Å; H129-V133 VanDerWaalsContact O-CG2 3.3Å; H129-V133 WeakPolarHBondContact O-CG2 3.39Å; H129-V133 PolarHBondContact O-N 3.04Å
130A92.1Very high93.4Very high58 Ų5835.9 Ų35.948%0.47921%0.208SC..Hα-helixtrans-60.8-46.8-178.300000111.8L128 C132 V133 E134L128-A130 PolarHBondContact O-N 3.38Å; A130-C132 PolarHBondContact O-N 2.77Å; A130-V133 PolarHBondContact O-N 3.39Å; A130-E134 WeakPolarHBondContact O-CB 3.47Å; A130-E134 WeakPolarHBondContact O-CG 3.43Å; A130-E134 PolarHBondContact O-N 3.07Å
131A91.8Very high93.3Very high12 Ų1235.2 Ų35.210%0.09919%0.192CC..Hα-helixtrans-61.5-43178.400000112L128 H129 R135L128-A131 PolarHBondContact O-N 2.82Å; H129-A131 PolarHBondContact O-N 3.12Å; A131-R135 WeakPolarHBondContact O-CB 3.34Å; A131-R135 PolarHBondContact O-N 2.55Å
132C94.4Very high93.1Very high2 Ų234.8 Ų34.81%0.01419%0.189CC..Hα-helixtrans-64.3-45.9175.9-69.40000112Y125 L128 H129 A130 L136Y125-C132 HydrophobicContact CE2-CB 4.31Å; L128-C132 PolarHBondContact O-N 2.93Å; L128-C132 PolarHBondContact O-SG 3.43Å; H129-C132 PolarHBondContact O-N 3.48Å; A130-C132 PolarHBondContact O-N 2.77Å; C132-L136 WeakPolarHBondContact O-CB 3.5Å; C132-L136 VanDerWaalsContact O-CG 3.26Å; C132-L136 WeakPolarHBondContact O-CG 3.43Å; C132-L136 PolarHBondContact O-N 3.45Å
133V94.3Very high92.8Very high19 Ų1932.3 Ų32.312%0.11518%0.176CC..Hα-helixtrans-63.5-46.7-179.2163.80000111.4V83 V96 L98 H129 A130 R135 L136 T137V83-V133 HydrophobicContact CG1-CG2 3.93Å; V83-V133 HydrophobicContact CG2-CG1 3.56Å; V83-V133 HydrophobicContact CG2-CG2 4.4Å; V96-V133 HydrophobicContact CG1-CG2 4.23Å; L98-V133 HydrophobicContact CD2-CG1 4.39Å; H129-V133 WeakPolarHBondContact CE1-CG2 3.44Å; H129-V133 WeakPolarHBondContact O-CB 3.46Å; H129-V133 VanDerWaalsContact O-CG2 3.3Å; H129-V133 WeakPolarHBondContact O-CG2 3.39Å; H129-V133 PolarHBondContact O-N 3.04Å; A130-V133 PolarHBondContact O-N 3.39Å; V133-R135 PolarHBondContact O-N 3.23Å; V133-L136 PolarHBondContact O-N 3.36Å; V133-T137 VanDerWaalsContact O-CB 3.24Å; V133-T137 WeakPolarHBondContact O-CB 3.46Å; V133-T137 PolarHBondContact O-N 3.28Å; V133-T137 PolarHBondContact O-OG1 2.73Å
134E90.4Very high92.7Very high100 Ų10030.5 Ų30.547%0.46716%0.155SC..Hα-helixtrans-62.2-44.9-179.9-75.5-176.9170.200111.4A130 T137 H138A130-E134 WeakPolarHBondContact O-CB 3.47Å; A130-E134 WeakPolarHBondContact O-CG 3.43Å; A130-E134 PolarHBondContact O-N 3.07Å; E134-T137 PolarHBondContact O-N 3.41Å; E134-H138 PolarHBondContact O-N 3.49Å
135R91.2Very high92.4Very high37 Ų3729.5 Ų29.514%0.1415%0.151CC..Hα-helixtrans-61.4-48.2177.5-171.5170.8-176.1160.57.8111.8A131 V133 T137 H138 G139 E160 I164 D256A131-R135 WeakPolarHBondContact O-CB 3.34Å; A131-R135 PolarHBondContact O-N 2.55Å; V133-R135 PolarHBondContact O-N 3.23Å; R135-T137 VanDerWaalsContact C-N 3.33Å; R135-T137 PolarHBondContact O-N 3.34Å; R135-H138 PolarHBondContact O-N 3.14Å; R135-G139 PolarHBondContact O-N 2.87Å; R135-E160 IonicContact NE-OE2 2.75Å; R135-I164 HydrophobicContact CB-CD1 4.41Å; R135-I164 HydrophobicContact CG-CD1 4.21Å; R135-I164 HydrophobicContact CG-CG1 4.43Å; R135-D256 IonicContact NH1-OD1 2.68Å; R135-D256 PolarHBondContact NH1-OD1 3.42Å; R135-D256 VanDerWaalsContact NH1-OD1 3.11Å
136L93.8Very high92Very high1 Ų130.7 Ų30.71%0.00516%0.155CC..Hα-helixtrans-64.8-37.3176.8-70.2176.5000112.3L98 L113 V115 C132 V133 H138 G139 I140 I161 I164L98-L136 HydrophobicContact CD1-CB 3.91Å; L98-L136 HydrophobicContact CD1-CD1 3.65Å; L98-L136 HydrophobicContact CD1-CG 4.43Å; L98-L136 HydrophobicContact CD2-CB 3.91Å; L113-L136 HydrophobicContact CD2-CB 4.49Å; L113-L136 HydrophobicContact CD2-CD2 3.82Å; V115-L136 HydrophobicContact CG2-CD1 3.67Å; C132-L136 WeakPolarHBondContact O-CB 3.5Å; C132-L136 VanDerWaalsContact O-CG 3.26Å; C132-L136 WeakPolarHBondContact O-CG 3.43Å; C132-L136 PolarHBondContact O-N 3.45Å; V133-L136 PolarHBondContact O-N 3.36Å; L136-H138 VanDerWaalsContact C-N 3.33Å; L136-H138 PolarHBondContact O-N 2.68Å; L136-G139 PolarHBondContact O-N 3.17Å; L136-I140 WeakPolarHBondContact O-CB 3.38Å; L136-I140 VanDerWaalsContact O-CG1 3.24Å; L136-I140 WeakPolarHBondContact O-CG1 3.29Å; L136-I140 PolarHBondContact O-N 2.85Å; L136-I161 HydrophobicContact CD2-CD1 3.76Å; L136-I164 HydrophobicContact CD1-CD1 4.17Å; L136-I164 HydrophobicContact CD2-CD1 3.24Å; L136-I164 HydrophobicContact CG-CD1 3.44Å; L136-I164 VanDerWaalsContact CG-CD1 3.44Å
137T93.1Very high91.7Very high20 Ų2026.5 Ų26.512%0.12313%0.133CC..Hα-helixtrans-61.5-43176.7-62.40000110.8V81 L98 V133 E134 R135 I140 R141V81-T137 HydrophobicContact CB-CG2 4.22Å; V81-T137 HydrophobicContact CG2-CG2 4.26Å; L98-T137 VanDerWaalsContact CD2-OG1 3.31Å; L98-T137 WeakPolarHBondContact CD2-OG1 3.39Å; V133-T137 VanDerWaalsContact O-CB 3.24Å; V133-T137 WeakPolarHBondContact O-CB 3.46Å; V133-T137 PolarHBondContact O-N 3.28Å; V133-T137 PolarHBondContact O-OG1 2.73Å; E134-T137 PolarHBondContact O-N 3.41Å; R135-T137 VanDerWaalsContact C-N 3.33Å; R135-T137 PolarHBondContact O-N 3.34Å; T137-I140 PolarHBondContact O-N 3.01Å; T137-R141 WeakPolarHBondContact O-CG 3.3Å; T137-R141 PolarHBondContact O-N 2.94Å
138H89.3Confident91.3Very high14 Ų1429.3 Ų29.37%0.06514%0.143CC..Hα-helixtrans-65.1-42.7174.6-167.358.2000112.1E134 R135 L136 I140 R141 K142 Y281 E316E134-H138 PolarHBondContact O-N 3.49Å; R135-H138 PolarHBondContact O-N 3.14Å; L136-H138 VanDerWaalsContact C-N 3.33Å; L136-H138 PolarHBondContact O-N 2.68Å; H138-I140 VanDerWaalsContact C-N 3.32Å; H138-I140 PolarHBondContact O-N 2.88Å; H138-R141 WeakPolarHBondContact O-CB 3.35Å; H138-R141 PolarHBondContact O-N 3.42Å; H138-R141 VanDerWaalsContact O-N 3.17Å; H138-K142 PolarHBondContact O-N 3.09Å; H138-K142 VanDerWaalsContact O-N 3.11Å; H138-Y281 AromaticContact CD2-CE2 3.91Å; H138-Y281 AromaticContact CD2-CZ 3.98Å; H138-Y281 AromaticContact NE2-CE1 3.95Å; H138-Y281 AromaticContact NE2-CE2 3.84Å; H138-Y281 AromaticContact NE2-CZ 3.44Å; H138-Y281 PolarHBondContact NE2-OH 2.9Å; H138-E316 IonicContact CE1-OE2 3.54Å; H138-E316 PolarHBondContact CE1-OE2 3.42Å; H138-E316 VanDerWaalsContact CE1-OE2 3.26Å; H138-E316 IonicContact NE2-OE2 2.73Å; H138-E316 PolarHBondContact NE2-OE2 3.41Å
139G91Very high90.9Very high0 Ų032.1 Ų32.10%016%0.155CC..Hα-helixtrans-55.2-44.6171.900000113.1R135 L136 K142 G143R135-G139 PolarHBondContact O-N 2.87Å; L136-G139 PolarHBondContact O-N 3.17Å; G139-K142 PolarHBondContact O-N 2.99Å; G139-G143 PolarHBondContact O-N 3.24Å
140I93.3Very high90.3Very high0 Ų032.8 Ų32.80%018%0.176CC..Hα-helixtrans-64.3-41.1176.5-72.1165.7000111V81 L98 F100 L113 L136 T137 H138 K142 G143 R144V81-I140 HydrophobicContact CG1-CD1 3.99Å; V81-I140 HydrophobicContact CG2-CG2 3.8Å; L98-I140 HydrophobicContact CB-CD1 3.44Å; L98-I140 VanDerWaalsContact CB-CD1 3.44Å; L98-I140 HydrophobicContact CD2-CD1 3.87Å; L98-I140 HydrophobicContact CG-CD1 4.2Å; F100-I140 HydrophobicContact CB-CG2 4.01Å; F100-I140 HydrophobicContact CD1-CB 4.49Å; F100-I140 HydrophobicContact CD1-CD1 3.85Å; F100-I140 HydrophobicContact CD1-CG1 4.13Å; F100-I140 HydrophobicContact CD1-CG2 3.53Å; F100-I140 HydrophobicContact CD2-CG2 3.69Å; F100-I140 HydrophobicContact CE1-CB 4.43Å; F100-I140 HydrophobicContact CE1-CD1 3.85Å; F100-I140 HydrophobicContact CE1-CG1 3.81Å; F100-I140 HydrophobicContact CE1-CG2 3.78Å; F100-I140 HydrophobicContact CE2-CG2 3.92Å; F100-I140 HydrophobicContact CG-CG2 3.46Å; F100-I140 VanDerWaalsContact CG-CG2 3.46Å; F100-I140 HydrophobicContact CZ-CG1 4.28Å; F100-I140 HydrophobicContact CZ-CG2 3.94Å; L113-I140 HydrophobicContact CB-CD1 4.2Å; L113-I140 HydrophobicContact CD2-CD1 4.18Å; L113-I140 HydrophobicContact CD2-CG1 4.13Å; L136-I140 WeakPolarHBondContact O-CB 3.38Å; L136-I140 VanDerWaalsContact O-CG1 3.24Å; L136-I140 WeakPolarHBondContact O-CG1 3.29Å; L136-I140 PolarHBondContact O-N 2.85Å; T137-I140 PolarHBondContact O-N 3.01Å; H138-I140 VanDerWaalsContact C-N 3.32Å; H138-I140 PolarHBondContact O-N 2.88Å; I140-K142 PolarHBondContact O-N 3.32Å; I140-G143 CarbonylContact O-C 3.56Å; I140-G143 PolarHBondContact O-N 3.07Å; I140-G143 VanDerWaalsContact O-N 3.16Å; I140-R144 HydrophobicContact CG2-CG 4.23Å; I140-R144 VanDerWaalsContact O-CG 3.3Å; I140-R144 WeakPolarHBondContact O-CG 3.29Å; I140-R144 PolarHBondContact O-N 3.37Å
141R91.3Very high90Very high108 Ų10832.5 Ų32.541%0.40816%0.163SC..Hα-helixtrans-59.4-45.7176.4-71.9170.5-178.5168.41.8111.7T137 H138 R144 I145 L317T137-R141 WeakPolarHBondContact O-CG 3.3Å; T137-R141 PolarHBondContact O-N 2.94Å; H138-R141 WeakPolarHBondContact O-CB 3.35Å; H138-R141 PolarHBondContact O-N 3.42Å; H138-R141 VanDerWaalsContact O-N 3.17Å; R141-R144 PolarHBondContact O-N 3.27Å; R141-I145 PolarHBondContact O-N 3.45Å; R141-L317 HydrophobicContact CB-CD1 4.41Å; R141-L317 HydrophobicContact CB-CD2 4.18Å
142K89.4Confident89.8Confident15 Ų1535.6 Ų35.67%0.06518%0.178CC..Hα-helixtrans-60.9-47.5172.3-65.3-174.7-63.8-1770110.7H138 G139 I140 R144 I145 W146 V156 E160 L317 L320 E332H138-K142 PolarHBondContact O-N 3.09Å; H138-K142 VanDerWaalsContact O-N 3.11Å; G139-K142 PolarHBondContact O-N 2.99Å; I140-K142 PolarHBondContact O-N 3.32Å; K142-R144 VanDerWaalsContact C-N 3.31Å; K142-R144 PolarHBondContact O-N 3.02Å; K142-I145 PolarHBondContact O-N 3.25Å; K142-W146 PolarHBondContact O-N 3.06Å; K142-W146 VanDerWaalsContact O-N 3.14Å; K142-V156 HydrophobicContact CB-CG1 4.03Å; K142-E160 WeakPolarHBondContact CE-OE1 3.4Å; K142-E160 IonicContact NZ-OE1 3.29Å; K142-E160 PolarHBondContact NZ-OE1 3.33Å; K142-L317 HydrophobicContact CG-CD2 4.2Å; K142-L320 HydrophobicContact CB-CD2 4.22Å; K142-L320 HydrophobicContact CG-CD2 4.44Å; K142-E332 IonicContact NZ-OE1 3.92Å; K142-E332 PolarHBondContact NZ-OE1 3.33Å; K142-E332 VanDerWaalsContact NZ-OE1 3.14Å
143G90.2Very high89.6Confident0 Ų035.5 Ų35.50%018%0.177CC..Hα-helixtrans-58.9-36.5179.200000113.9G139 I140 W146 M147G139-G143 PolarHBondContact O-N 3.24Å; I140-G143 CarbonylContact O-C 3.56Å; I140-G143 PolarHBondContact O-N 3.07Å; I140-G143 VanDerWaalsContact O-N 3.16Å; G143-W146 VanDerWaalsContact O-CB 3.32Å; G143-W146 WeakPolarHBondContact O-CB 3.35Å; G143-W146 PolarHBondContact O-N 3.37Å; G143-M147 VanDerWaalsContact O-CG 3.26Å; G143-M147 WeakPolarHBondContact O-CG 3.44Å; G143-M147 PolarHBondContact O-N 2.99Å
144R89.9Confident89.4Confident31 Ų3135.5 Ų35.512%0.11718%0.176CC..Hα-helixtrans-65.3-41.2176.9-73.9175.183.8161.712.2112.2G79 A80 F100 D101 I140 R141 K142 W146 M147 Q148G79-R144 PolarHBondContact O-NH1 3.49Å; G79-R144 VanDerWaalsContact O-NH1 3.1Å; A80-R144 PolarHBondContact O-NH1 2.92Å; F100-R144 HydrophobicContact CD2-CG 3.74Å; F100-R144 HydrophobicContact CE2-CG 3.97Å; D101-R144 PolarHBondContact O-NE 3.34Å; D101-R144 PolarHBondContact O-NH2 3.3Å; I140-R144 HydrophobicContact CG2-CG 4.23Å; I140-R144 VanDerWaalsContact O-CG 3.3Å; I140-R144 WeakPolarHBondContact O-CG 3.29Å; I140-R144 PolarHBondContact O-N 3.37Å; R141-R144 PolarHBondContact O-N 3.27Å; K142-R144 VanDerWaalsContact C-N 3.31Å; K142-R144 PolarHBondContact O-N 3.02Å; R144-W146 VanDerWaalsContact C-N 3.31Å; R144-M147 WeakPolarHBondContact O-CB 3.06Å; R144-M147 PolarHBondContact O-N 3.15Å; R144-Q148 WeakPolarHBondContact O-CG 3.45Å; R144-Q148 PolarHBondContact O-N 3.38Å
145I88.6Confident89.3Confident20 Ų2033 Ų3310%0.10317%0.17CC..Hα-helixtrans-62.8-42.8174.7-66.2169.9000110R141 K142 M147 Q148 K149 L317 L320 W321R141-I145 PolarHBondContact O-N 3.45Å; K142-I145 PolarHBondContact O-N 3.25Å; I145-M147 PolarHBondContact O-N 2.83Å; I145-Q148 PolarHBondContact O-N 2.94Å; I145-K149 HydrophobicContact CG2-CD 4.39Å; I145-K149 PolarHBondContact O-N 2.78Å; I145-K149 VanDerWaalsContact O-N 3.11Å; I145-L317 HydrophobicContact CD1-CB 3.97Å; I145-L317 HydrophobicContact CD1-CD2 3.71Å; I145-L317 HydrophobicContact CD1-CG 4.4Å; I145-L320 HydrophobicContact CB-CD2 4.03Å; I145-L320 HydrophobicContact CB-CG 4.41Å; I145-L320 HydrophobicContact CD1-CD2 4.11Å; I145-L320 HydrophobicContact CG2-CB 4.49Å; I145-L320 HydrophobicContact CG2-CD2 3.98Å; I145-L320 HydrophobicContact CG2-CG 3.8Å; I145-W321 HydrophobicContact CG1-CE3 4.38Å; I145-W321 HydrophobicContact CG2-CE3 3.92Å
146W88Confident89.2Confident26 Ų2631.7 Ų31.710%0.09817%0.166CC..Hα-helixtrans-58.4-46.9174.7-89.470.5000112.7K142 G143 R144 Q148 K149 G150 Y151 V156 E326 I329K142-W146 PolarHBondContact O-N 3.06Å; K142-W146 VanDerWaalsContact O-N 3.14Å; G143-W146 VanDerWaalsContact O-CB 3.32Å; G143-W146 WeakPolarHBondContact O-CB 3.35Å; G143-W146 PolarHBondContact O-N 3.37Å; R144-W146 VanDerWaalsContact C-N 3.31Å; W146-Q148 PolarHBondContact O-N 3.48Å; W146-K149 PolarHBondContact O-N 3.25Å; W146-G150 PolarHBondContact O-N 2.62Å; W146-Y151 HydrophobicContact CD2-CD2 4.09Å; W146-Y151 AromaticContact CE3-CD2 3.88Å; W146-Y151 HydrophobicContact CE3-CD2 3.88Å; W146-Y151 AromaticContact CE3-CG 3.93Å; W146-Y151 HydrophobicContact CE3-CG 3.93Å; W146-Y151 HydrophobicContact CZ3-CD2 4.16Å; W146-Y151 HydrophobicContact CZ3-CG 4.14Å; W146-Y151 PolarHBondContact O-N 2.68Å; W146-V156 HydrophobicContact CB-CG2 4.29Å; W146-V156 HydrophobicContact CD2-CG2 3.42Å; W146-V156 VanDerWaalsContact CD2-CG2 3.42Å; W146-V156 HydrophobicContact CE3-CG2 3.95Å; W146-V156 HydrophobicContact CG-CG2 3.54Å; W146-V156 HydrophobicContact CZ2-CG2 4.15Å; W146-E326 HydrophobicContact CH2-CG 3.34Å; W146-E326 WeakPolarHBondContact CH2-OE1 3.19Å; W146-E326 HydrophobicContact CZ2-CG 4.28Å; W146-E326 VanDerWaalsContact CZ3-CD 3.44Å; W146-E326 HydrophobicContact CZ3-CG 3.74Å; W146-E326 WeakPolarHBondContact CZ3-OE1 3.29Å; W146-I329 HydrophobicContact CH2-CD1 3.97Å; W146-I329 HydrophobicContact CZ2-CD1 3.23Å
147M88.4Confident89.2Confident6 Ų631.7 Ų31.73%0.0317%0.166CC..Hα-helixtrans-58.9-45.3176.7-75.8179.385.700112.2F100 E103 L104 G143 R144 I145 K149 G150 I153F100-M147 HydrophobicContact CE2-SD 4.12Å; E103-M147 CarbonylContact O-C 3.38Å; E103-M147 VanDerWaalsContact O-CB 3.31Å; E103-M147 WeakPolarHBondContact O-CB 3.42Å; L104-M147 HydrophobicContact CB-CE 4.37Å; L104-M147 HydrophobicContact CD1-CE 3.5Å; G143-M147 VanDerWaalsContact O-CG 3.26Å; G143-M147 WeakPolarHBondContact O-CG 3.44Å; G143-M147 PolarHBondContact O-N 2.99Å; R144-M147 WeakPolarHBondContact O-CB 3.06Å; R144-M147 PolarHBondContact O-N 3.15Å; I145-M147 PolarHBondContact O-N 2.83Å; M147-K149 PolarHBondContact O-N 3.41Å; M147-G150 WeakPolarHBondContact O-CA 3.42Å; M147-G150 PolarHBondContact O-N 2.56Å; M147-I153 HydrophobicContact CG-CB 3.78Å; M147-I153 HydrophobicContact CG-CD1 3.9Å; M147-I153 HydrophobicContact CG-CG1 4.31Å; M147-I153 HydrophobicContact CG-CG2 4.25Å; M147-I153 HydrophobicContact SD-CB 4.27Å; M147-I153 HydrophobicContact SD-CD1 3.4Å; M147-I153 WeakPolarHBondContact SD-CD1 3.35Å; M147-I153 HydrophobicContact SD-CG1 4.37Å; M147-I153 HydrophobicContact SD-CG2 4.42Å
148Q87.3Confident89.1Confident97 Ų9732.5 Ų32.545%0.45317%0.172SC..Hα-helixtrans-63.1-30.5178-74.9176.1-27.100112.9E103 R144 I145 W146 G150 W321E103-Q148 HydrophobicContact CB-CG 4.35Å; R144-Q148 WeakPolarHBondContact O-CG 3.45Å; R144-Q148 PolarHBondContact O-N 3.38Å; I145-Q148 PolarHBondContact O-N 2.94Å; W146-Q148 PolarHBondContact O-N 3.48Å; Q148-G150 PolarHBondContact O-N 2.94Å; Q148-W321 HydrophobicContact CB-CZ3 4.14Å
149K85.4Confident89.1Confident59 Ų5936.6 Ų36.626%0.25719%0.194SC..THydrogen-bonded Turntrans-80.2-2.7173.1-70.4177.8177.7-83.30113.6I145 W146 M147 Y151 L320 W321 T323I145-K149 HydrophobicContact CG2-CD 4.39Å; I145-K149 PolarHBondContact O-N 2.78Å; I145-K149 VanDerWaalsContact O-N 3.11Å; W146-K149 PolarHBondContact O-N 3.25Å; M147-K149 PolarHBondContact O-N 3.41Å; K149-Y151 VanDerWaalsContact C-N 3.34Å; K149-Y151 HydrophobicContact CB-CD2 3.76Å; K149-Y151 HydrophobicContact CB-CE2 3.71Å; K149-Y151 HydrophobicContact CB-CG 4.25Å; K149-Y151 HydrophobicContact CD-CD2 4.34Å; K149-Y151 HydrophobicContact CD-CE2 3.84Å; K149-Y151 HydrophobicContact CG-CE2 4.41Å; K149-L320 WeakPolarHBondContact CE-O 3.38Å; K149-W321 VanDerWaalsContact CE-O 3.32Å; K149-W321 WeakPolarHBondContact CE-O 3.49Å; K149-W321 PolarHBondContact NZ-O 2.88Å; K149-T323 WeakPolarHBondContact CE-O 3.44Å; K149-T323 PolarHBondContact NZ-O 3.48Å
150G84.3Confident89.1Confident64 Ų6437.2 Ų37.266%0.6620%0.197SC*.THydrogen-bonded Turntrans83.36.7-178.100000114.5W146 M147 Q148W146-G150 PolarHBondContact O-N 2.62Å; M147-G150 WeakPolarHBondContact O-CA 3.42Å; M147-G150 PolarHBondContact O-N 2.56Å; Q148-G150 PolarHBondContact O-N 2.94Å
151Y85.9Confident89.1Confident51 Ų5137.3 Ų37.320%0.220%0.198CC..  trans-82.6164-179.7-54.6-35.5000112.8W146 K149 I153 D324 S325 E326W146-Y151 HydrophobicContact CD2-CD2 4.09Å; W146-Y151 AromaticContact CE3-CD2 3.88Å; W146-Y151 HydrophobicContact CE3-CD2 3.88Å; W146-Y151 AromaticContact CE3-CG 3.93Å; W146-Y151 HydrophobicContact CE3-CG 3.93Å; W146-Y151 HydrophobicContact CZ3-CD2 4.16Å; W146-Y151 HydrophobicContact CZ3-CG 4.14Å; W146-Y151 PolarHBondContact O-N 2.68Å; K149-Y151 VanDerWaalsContact C-N 3.34Å; K149-Y151 HydrophobicContact CB-CD2 3.76Å; K149-Y151 HydrophobicContact CB-CE2 3.71Å; K149-Y151 HydrophobicContact CB-CG 4.25Å; K149-Y151 HydrophobicContact CD-CD2 4.34Å; K149-Y151 HydrophobicContact CD-CE2 3.84Å; K149-Y151 HydrophobicContact CG-CE2 4.41Å; Y151-I153 PolarHBondContact O-N 3.21Å; Y151-D324 PolarHBondContact OH-O 3.33Å; Y151-D324 VanDerWaalsContact OH-O 3.14Å; Y151-S325 VanDerWaalsContact OH-CA 3.32Å; Y151-S325 WeakPolarHBondContact OH-CA 3.29Å; Y151-E326 HydrophobicContact CE1-CB 4.29Å; Y151-E326 HydrophobicContact CE2-CB 4.31Å; Y151-E326 PolarHBondContact OH-N 3.48Å
152N85.9Confident89.1Confident77 Ų7733.4 Ų33.441%0.41219%0.188SC..  trans-81.9106.2-176.1-174.315.6000112.3I154 S155N152-I154 PolarHBondContact O-N 3.28Å; N152-I154 WeakPolarHBondContact OD1-CG1 3.49Å; N152-I154 PolarHBondContact OD1-N 3.36Å; N152-S155 PolarHBondContact O-N 3.39Å; N152-S155 PolarHBondContact O-OG 2.85Å
153I90.2Very high89.2Confident1 Ų134.1 Ų34.11%0.00519%0.194CC..Hα-helixtrans-55-25.3177.4-172.9164.3000114.8F30 F100 M147 Y151 S155 V156 L157F30-I153 HydrophobicContact CD1-CG2 4.35Å; F30-I153 HydrophobicContact CE1-CG2 3.73Å; F30-I153 HydrophobicContact CE2-CD1 4.29Å; F30-I153 HydrophobicContact CZ-CD1 4.38Å; F30-I153 HydrophobicContact CZ-CG2 3.83Å; F100-I153 HydrophobicContact CE2-CD1 4.27Å; F100-I153 HydrophobicContact CZ-CD1 4.04Å; M147-I153 HydrophobicContact CG-CB 3.78Å; M147-I153 HydrophobicContact CG-CD1 3.9Å; M147-I153 HydrophobicContact CG-CG1 4.31Å; M147-I153 HydrophobicContact CG-CG2 4.25Å; M147-I153 HydrophobicContact SD-CB 4.27Å; M147-I153 HydrophobicContact SD-CD1 3.4Å; M147-I153 WeakPolarHBondContact SD-CD1 3.35Å; M147-I153 HydrophobicContact SD-CG1 4.37Å; M147-I153 HydrophobicContact SD-CG2 4.42Å; Y151-I153 PolarHBondContact O-N 3.21Å; I153-S155 VanDerWaalsContact C-N 3.26Å; I153-S155 PolarHBondContact O-N 3Å; I153-V156 PolarHBondContact O-N 2.78Å; I153-L157 HydrophobicContact CD1-CD1 4.01Å; I153-L157 HydrophobicContact CD1-CG 4.3Å; I153-L157 HydrophobicContact CG1-CD1 3.73Å; I153-L157 HydrophobicContact CG1-CD2 4.48Å; I153-L157 HydrophobicContact CG1-CG 3.76Å; I153-L157 WeakPolarHBondContact O-CG 3.18Å; I153-L157 PolarHBondContact O-N 3.06Å
154I91.4Very high89.4Confident18 Ų1834.1 Ų34.19%0.09220%0.195CC..Hα-helixtrans-60.8-34.1-177.3-59.7-54.1000112F30 H43 W45 N152 S158F30-I154 HydrophobicContact CB-CD1 4.12Å; F30-I154 HydrophobicContact CD1-CD1 3.66Å; F30-I154 HydrophobicContact CE1-CD1 4.46Å; F30-I154 HydrophobicContact CG-CD1 4.12Å; H43-I154 HydrophobicContact CB-CD1 3.47Å; H43-I154 VanDerWaalsContact CB-CD1 3.47Å; H43-I154 HydrophobicContact CB-CG1 4.14Å; H43-I154 HydrophobicContact CB-CG2 4.48Å; W45-I154 HydrophobicContact CH2-CD1 3.97Å; W45-I154 HydrophobicContact CZ2-CD1 4.23Å; W45-I154 HydrophobicContact CZ2-CG2 3.9Å; N152-I154 PolarHBondContact O-N 3.28Å; N152-I154 WeakPolarHBondContact OD1-CG1 3.49Å; N152-I154 PolarHBondContact OD1-N 3.36Å; I154-S158 VanDerWaalsContact O-CB 3.32Å; I154-S158 WeakPolarHBondContact O-CB 3.41Å; I154-S158 PolarHBondContact O-N 2.95Å; I154-S158 PolarHBondContact O-OG 3.29Å
155S87.9Confident89.6Confident47 Ų4732.7 Ų32.733%0.32919%0.189SC..Hα-helixtrans-63.8-48.5177.457.10000111.1N152 I153 L157 S158 L159N152-S155 PolarHBondContact O-N 3.39Å; N152-S155 PolarHBondContact O-OG 2.85Å; I153-S155 VanDerWaalsContact C-N 3.26Å; I153-S155 PolarHBondContact O-N 3Å; S155-L157 PolarHBondContact O-N 2.99Å; S155-S158 PolarHBondContact O-N 2.88Å; S155-L159 PolarHBondContact O-N 2.94Å
156V89.7Confident89.8Confident11 Ų1135.9 Ų35.97%0.06720%0.204CC..Hα-helixtrans-61.3-46.2177.8-178.60000111.4K142 W146 I153 S158 L159K142-V156 HydrophobicContact CB-CG1 4.03Å; W146-V156 HydrophobicContact CB-CG2 4.29Å; W146-V156 HydrophobicContact CD2-CG2 3.42Å; W146-V156 VanDerWaalsContact CD2-CG2 3.42Å; W146-V156 HydrophobicContact CE3-CG2 3.95Å; W146-V156 HydrophobicContact CG-CG2 3.54Å; W146-V156 HydrophobicContact CZ2-CG2 4.15Å; I153-V156 PolarHBondContact O-N 2.78Å; V156-S158 VanDerWaalsContact C-N 3.33Å; V156-S158 PolarHBondContact O-N 3.37Å; V156-L159 WeakPolarHBondContact O-CB 3.47Å; V156-L159 PolarHBondContact O-N 3.18Å
157L92.8Very high90.1Very high1 Ų134.9 Ų34.91%0.00520%0.2CC..Hα-helixtrans-67.7-34.5180-66.4-179.9000112F30 W45 L113 I153 S155 L159 E160 I161F30-L157 HydrophobicContact CB-CD1 4.4Å; F30-L157 HydrophobicContact CD2-CD1 3.76Å; F30-L157 HydrophobicContact CE2-CD1 4.29Å; F30-L157 HydrophobicContact CG-CD1 4.11Å; W45-L157 HydrophobicContact CH2-CB 3.57Å; W45-L157 HydrophobicContact CH2-CD1 3.91Å; W45-L157 HydrophobicContact CH2-CG 4.42Å; W45-L157 HydrophobicContact CZ2-CB 3.71Å; L113-L157 HydrophobicContact CD1-CD1 4.22Å; L113-L157 HydrophobicContact CD2-CD2 3.83Å; I153-L157 HydrophobicContact CD1-CD1 4.01Å; I153-L157 HydrophobicContact CD1-CG 4.3Å; I153-L157 HydrophobicContact CG1-CD1 3.73Å; I153-L157 HydrophobicContact CG1-CD2 4.48Å; I153-L157 HydrophobicContact CG1-CG 3.76Å; I153-L157 WeakPolarHBondContact O-CG 3.18Å; I153-L157 PolarHBondContact O-N 3.06Å; S155-L157 PolarHBondContact O-N 2.99Å; L157-L159 PolarHBondContact O-N 3.41Å; L157-E160 PolarHBondContact O-N 3.45Å; L157-I161 WeakPolarHBondContact O-CB 3.47Å; L157-I161 VanDerWaalsContact O-CG1 3.25Å; L157-I161 WeakPolarHBondContact O-CG1 3.37Å; L157-I161 PolarHBondContact O-N 2.99Å
158S91.6Very high90.4Very high36 Ų3634.6 Ų34.625%0.25220%0.199SC..Hα-helixtrans-60.8-36.1176.2-59.60000112W45 I154 S155 V156 E160 A162W45-S158 PolarHBondContact NE1-OG 3.01Å; I154-S158 VanDerWaalsContact O-CB 3.32Å; I154-S158 WeakPolarHBondContact O-CB 3.41Å; I154-S158 PolarHBondContact O-N 2.95Å; I154-S158 PolarHBondContact O-OG 3.29Å; S155-S158 PolarHBondContact O-N 2.88Å; V156-S158 VanDerWaalsContact C-N 3.33Å; V156-S158 PolarHBondContact O-N 3.37Å; S158-E160 PolarHBondContact O-N 3.27Å; S158-A162 PolarHBondContact O-N 3.47Å
159L89.1Confident90.6Very high101 Ų10130.1 Ų30.153%0.52918%0.178SC..Hα-helixtrans-67.8-21.9176.4-65.9172.6000113.3S155 V156 L157 P163S155-L159 PolarHBondContact O-N 2.94Å; V156-L159 WeakPolarHBondContact O-CB 3.47Å; V156-L159 PolarHBondContact O-N 3.18Å; L157-L159 PolarHBondContact O-N 3.41Å; L159-P163 WeakPolarHBondContact O-CD 3.32Å; L159-P163 WeakPolarHBondContact O-CG 3.04Å
160E90.6Very high91.1Very high13 Ų1327.5 Ų27.56%0.06117%0.168CC..Hα-helixtrans-98.5-36.5178.8-63.4-65.2169.700112.7R135 K142 L157 S158 P163 I164R135-E160 IonicContact NE-OE2 2.75Å; K142-E160 WeakPolarHBondContact CE-OE1 3.4Å; K142-E160 IonicContact NZ-OE1 3.29Å; K142-E160 PolarHBondContact NZ-OE1 3.33Å; L157-E160 PolarHBondContact O-N 3.45Å; S158-E160 PolarHBondContact O-N 3.27Å; E160-P163 WeakPolarHBondContact O-CD 3.32Å; E160-I164 WeakPolarHBondContact O-CG1 3.31Å; E160-I164 PolarHBondContact O-N 3.39Å
161I93.1Very high91.6Very high2 Ų224.5 Ų24.51%0.0114%0.136CC..Hα-helixtrans-69.4-43.1-177.2-68.3-65.6000111.7A28 W45 L113 L136 L157 I164 M165A28-I161 HydrophobicContact CB-CD1 3.79Å; A28-I161 HydrophobicContact CB-CG1 4.4Å; A28-I161 HydrophobicContact CB-CG2 3.88Å; W45-I161 HydrophobicContact CB-CG2 3.78Å; W45-I161 HydrophobicContact CD2-CB 4.42Å; W45-I161 HydrophobicContact CD2-CG1 4.28Å; W45-I161 HydrophobicContact CD2-CG2 4.2Å; W45-I161 HydrophobicContact CE3-CG1 4.18Å; W45-I161 HydrophobicContact CG-CB 4.45Å; W45-I161 HydrophobicContact CG-CG2 3.89Å; W45-I161 HydrophobicContact CZ3-CG1 4.45Å; L113-I161 HydrophobicContact CD1-CD1 4.21Å; L113-I161 HydrophobicContact CD2-CD1 4.4Å; L136-I161 HydrophobicContact CD2-CD1 3.76Å; L157-I161 WeakPolarHBondContact O-CB 3.47Å; L157-I161 VanDerWaalsContact O-CG1 3.25Å; L157-I161 WeakPolarHBondContact O-CG1 3.37Å; L157-I161 PolarHBondContact O-N 2.99Å; I161-I164 PolarHBondContact O-N 3.26Å; I161-M165 HydrophobicContact CG2-CE 3.8Å; I161-M165 HydrophobicContact CG2-CG 4.49Å; I161-M165 HydrophobicContact CG2-SD 4.17Å; I161-M165 PolarHBondContact O-N 3.34Å
162A92.1Very high91.9Very high25 Ų2526.1 Ų26.121%0.20714%0.144CC..Hα-helixtrans-61.4-48.7-179.600000112.2V17 S158 I164 M165 E166V17-A162 HydrophobicContact CG1-CB 3.73Å; S158-A162 PolarHBondContact O-N 3.47Å; A162-I164 VanDerWaalsContact C-N 3.29Å; A162-I164 PolarHBondContact O-N 2.96Å; A162-M165 WeakPolarHBondContact O-CB 3.36Å; A162-M165 PolarHBondContact O-N 2.98Å; A162-M165 VanDerWaalsContact O-N 3.15Å; A162-E166 WeakPolarHBondContact O-CG 3.33Å; A162-E166 PolarHBondContact O-N 2.93Å
163P91.5Very high92.2Very high30 Ų3026.2 Ų26.220%0.19515%0.151CC..Hα-helixtrans-61.5-30.4173.5-28.437.6000115L159 E160 E166 L167L159-P163 WeakPolarHBondContact O-CD 3.32Å; L159-P163 WeakPolarHBondContact O-CG 3.04Å; E160-P163 WeakPolarHBondContact O-CD 3.32Å; P163-E166 PolarHBondContact O-N 3.02Å; P163-L167 VanDerWaalsContact O-CB 3.28Å; P163-L167 WeakPolarHBondContact O-CB 3.37Å; P163-L167 PolarHBondContact O-N 2.86Å
164I93.5Very high92.5Very high1 Ų128.5 Ų28.51%0.00516%0.161CC..Hα-helixtrans-69.2-40.1174.4-75.5169.2000111.3R135 L136 E160 I161 A162 E166 L167 L168R135-I164 HydrophobicContact CB-CD1 4.41Å; R135-I164 HydrophobicContact CG-CD1 4.21Å; R135-I164 HydrophobicContact CG-CG1 4.43Å; L136-I164 HydrophobicContact CD1-CD1 4.17Å; L136-I164 HydrophobicContact CD2-CD1 3.24Å; L136-I164 HydrophobicContact CG-CD1 3.44Å; L136-I164 VanDerWaalsContact CG-CD1 3.44Å; E160-I164 WeakPolarHBondContact O-CG1 3.31Å; E160-I164 PolarHBondContact O-N 3.39Å; I161-I164 PolarHBondContact O-N 3.26Å; A162-I164 VanDerWaalsContact C-N 3.29Å; A162-I164 PolarHBondContact O-N 2.96Å; I164-E166 VanDerWaalsContact C-N 3.34Å; I164-L167 PolarHBondContact O-N 3.49Å; I164-L168 HydrophobicContact CG2-CD1 3.87Å; I164-L168 WeakPolarHBondContact O-CB 3.4Å; I164-L168 WeakPolarHBondContact O-CG 3.27Å; I164-L168 PolarHBondContact O-N 3.45Å
165M94.3Very high92.7Very high0 Ų029.3 Ų29.30%017%0.169CC..Hα-helixtrans-62.2-43.4173.4-74177.217400111.2V17 V19 L25 A28 W45 I161 A162 L168 A169V17-M165 HydrophobicContact CB-SD 3.74Å; V17-M165 HydrophobicContact CG1-SD 3.91Å; V17-M165 HydrophobicContact CG2-SD 3.84Å; V19-M165 HydrophobicContact CG2-CB 3.81Å; L25-M165 HydrophobicContact CD2-CE 4.32Å; L25-M165 HydrophobicContact CD2-CG 3.86Å; A28-M165 HydrophobicContact CB-CE 4.36Å; W45-M165 HydrophobicContact CB-CE 4.06Å; I161-M165 HydrophobicContact CG2-CE 3.8Å; I161-M165 HydrophobicContact CG2-CG 4.49Å; I161-M165 HydrophobicContact CG2-SD 4.17Å; I161-M165 PolarHBondContact O-N 3.34Å; A162-M165 WeakPolarHBondContact O-CB 3.36Å; A162-M165 PolarHBondContact O-N 2.98Å; A162-M165 VanDerWaalsContact O-N 3.15Å; M165-L168 PolarHBondContact O-N 3.09Å; M165-A169 WeakPolarHBondContact O-CB 3.4Å; M165-A169 PolarHBondContact O-N 3.23Å
166E92.6Very high93Very high88 Ų8827.1 Ų27.141%0.41115%0.153SC..Hα-helixtrans-62.3-44.9174.4-70.4175.3-176.500112.1A162 P163 I164 A169 S170A162-E166 WeakPolarHBondContact O-CG 3.33Å; A162-E166 PolarHBondContact O-N 2.93Å; P163-E166 PolarHBondContact O-N 3.02Å; I164-E166 VanDerWaalsContact C-N 3.34Å; E166-A169 PolarHBondContact O-N 2.75Å; E166-S170 WeakPolarHBondContact O-CB 3.49Å; E166-S170 PolarHBondContact O-N 3.41Å; E166-S170 PolarHBondContact O-OG 2.92Å
167L93.8Very high93.2Very high4 Ų429.9 Ų29.92%0.02117%0.171CC..Hα-helixtrans-56.6-53.3175.4170.259.7000110.5P163 I164 A169 S170 M171 D256 L259P163-L167 VanDerWaalsContact O-CB 3.28Å; P163-L167 WeakPolarHBondContact O-CB 3.37Å; P163-L167 PolarHBondContact O-N 2.86Å; I164-L167 PolarHBondContact O-N 3.49Å; L167-A169 PolarHBondContact O-N 2.75Å; L167-S170 PolarHBondContact O-N 3.36Å; L167-S170 VanDerWaalsContact O-N 3.15Å; L167-S170 PolarHBondContact O-OG 3.5Å; L167-M171 HydrophobicContact CD1-CG 3.95Å; L167-M171 HydrophobicContact CD1-SD 4.49Å; L167-M171 WeakPolarHBondContact O-CG 3.4Å; L167-M171 PolarHBondContact O-N 3.34Å; L167-D256 HydrophobicContact CD1-CB 3.86Å; L167-L259 HydrophobicContact CD1-CD1 3.95Å; L167-L259 HydrophobicContact CD1-CD2 4.21Å; L167-L259 HydrophobicContact CD1-CG 4.28Å
168L94.7Very high93.2Very high0 Ų034.2 Ų34.20%019%0.192CC..Hα-helixtrans-66.4-37-176.2-71.5168.6000112.2P24 L25 F124 Y125 L128 I164 M165 M171 K172P24-L168 HydrophobicContact CG-CB 3.76Å; L25-L168 HydrophobicContact CD1-CB 3.71Å; L25-L168 HydrophobicContact CD1-CD1 3.32Å; L25-L168 HydrophobicContact CD1-CG 4.1Å; L25-L168 HydrophobicContact CD2-CD1 4.26Å; L25-L168 HydrophobicContact CG-CD1 4.15Å; F124-L168 HydrophobicContact CE1-CD2 4.04Å; F124-L168 HydrophobicContact CZ-CD2 4.29Å; F124-L168 WeakPolarHBondContact CZ-O 3.47Å; Y125-L168 HydrophobicContact CD2-CD2 4.38Å; L128-L168 HydrophobicContact CB-CD2 4.27Å; L128-L168 HydrophobicContact CD1-CD2 3.57Å; I164-L168 HydrophobicContact CG2-CD1 3.87Å; I164-L168 WeakPolarHBondContact O-CB 3.4Å; I164-L168 WeakPolarHBondContact O-CG 3.27Å; I164-L168 PolarHBondContact O-N 3.45Å; M165-L168 PolarHBondContact O-N 3.09Å; L168-M171 PolarHBondContact O-N 3.35Å; L168-K172 PolarHBondContact O-N 2.79Å
169A93.6Very high93.2Very high3 Ų340.7 Ų40.73%0.02522%0.218CC..Hα-helixtrans-64.6-40.2171.700000112.6V19 M165 E166 L167 K172 S173V19-A169 HydrophobicContact CG1-CB 3.46Å; V19-A169 VanDerWaalsContact CG1-CB 3.46Å; M165-A169 WeakPolarHBondContact O-CB 3.4Å; M165-A169 PolarHBondContact O-N 3.23Å; E166-A169 PolarHBondContact O-N 2.75Å; L167-A169 PolarHBondContact O-N 2.75Å; A169-K172 PolarHBondContact O-N 2.99Å; A169-S173 PolarHBondContact O-N 2.9Å; A169-S173 PolarHBondContact O-OG 3.08Å
170S94Very high93.5Very high5 Ų537 Ų374%0.03520%0.198CC..Hα-helixtrans-66.4-38176.677.70000112.2E166 L167 S173 H174 R245E166-S170 WeakPolarHBondContact O-CB 3.49Å; E166-S170 PolarHBondContact O-N 3.41Å; E166-S170 PolarHBondContact O-OG 2.92Å; L167-S170 PolarHBondContact O-N 3.36Å; L167-S170 VanDerWaalsContact O-N 3.15Å; L167-S170 PolarHBondContact O-OG 3.5Å; S170-S173 PolarHBondContact O-N 3.29Å; S170-S173 PolarHBondContact O-OG 3.02Å; S170-H174 PolarHBondContact O-N 3.02Å; S170-R245 WeakPolarHBondContact OG-CD 3.4Å; S170-R245 PolarHBondContact OG-NH1 3.29Å
171M95.2Very high93.6Very high1 Ų140 Ų401%0.00521%0.214CC..Hα-helixtrans-68.1-38.9175.7-68.3-56-61.300110.7F124 L128 L167 L168 S173 C175 K242 S244 R245 L259F124-M171 HydrophobicContact CE2-CB 3.95Å; F124-M171 HydrophobicContact CZ-CB 3.9Å; L128-M171 HydrophobicContact CD1-CB 3.85Å; L128-M171 HydrophobicContact CD1-CG 3.86Å; L128-M171 HydrophobicContact CD2-CE 4.17Å; L128-M171 HydrophobicContact CD2-CG 4.3Å; L167-M171 HydrophobicContact CD1-CG 3.95Å; L167-M171 HydrophobicContact CD1-SD 4.49Å; L167-M171 WeakPolarHBondContact O-CG 3.4Å; L167-M171 PolarHBondContact O-N 3.34Å; L168-M171 PolarHBondContact O-N 3.35Å; M171-S173 PolarHBondContact O-N 2.88Å; M171-C175 HydrophobicContact CE-CB 3.94Å; M171-C175 WeakPolarHBondContact O-CB 3.46Å; M171-C175 PolarHBondContact O-N 3.47Å; M171-K242 WeakPolarHBondContact CE-O 3.39Å; M171-S244 WeakPolarHBondContact CE-O 3.32Å; M171-R245 HydrophobicContact SD-CB 3.82Å; M171-R245 HydrophobicContact SD-CG 4.16Å; M171-L259 HydrophobicContact CE-CD2 4.17Å; M171-L259 HydrophobicContact CG-CD2 4.5Å; M171-L259 HydrophobicContact SD-CD1 3.89Å; M171-L259 HydrophobicContact SD-CD2 3.76Å
172K92.9Very high93.5Very high85 Ų8541 Ų4137%0.3722%0.22SC..Hα-helixtrans-58.3-34.2176.6-169.364.6166.5-171.70112.7E121 F124 L168 A169E121-K172 IonicContact OE1-NZ 3.67Å; E121-K172 PolarHBondContact OE1-NZ 2.9Å; E121-K172 IonicContact OE2-NZ 3.68Å; E121-K172 PolarHBondContact OE2-NZ 3.19Å; F124-K172 HydrophobicContact CD2-CD 4.37Å; F124-K172 HydrophobicContact CE2-CB 4.34Å; F124-K172 HydrophobicContact CE2-CD 4.3Å; F124-K172 HydrophobicContact CZ-CB 4.19Å; L168-K172 PolarHBondContact O-N 2.79Å; A169-K172 PolarHBondContact O-N 2.99Å
173S92.3Very high93.5Very high78 Ų7847.2 Ų47.255%0.54524%0.238SC..Hα-helixtrans-97.3-31.6-17551.60000114.8A169 S170 M171A169-S173 PolarHBondContact O-N 2.9Å; A169-S173 PolarHBondContact O-OG 3.08Å; S170-S173 PolarHBondContact O-N 3.29Å; S170-S173 PolarHBondContact O-OG 3.02Å; M171-S173 PolarHBondContact O-N 2.88Å
174H95.3Very high93.5Very high49 Ų4949.8 Ų49.823%0.22725%0.25CC..Hα-helixtrans-13015.1-170.3-61.673.6000113.7S170 R245 L246 F253S170-H174 PolarHBondContact O-N 3.02Å; H174-R245 HydrophobicContact CB-CG 4.05Å; H174-L246 PolarHBondContact O-N 3.32Å; H174-F253 HydrophobicContact CB-CE2 4.09Å; H174-F253 HydrophobicContact CB-CZ 4.32Å; H174-F253 AromaticContact CG-CE2 3.89Å; H174-F253 AromaticContact CG-CZ 3.84Å; H174-F253 AromaticContact ND1-CZ 3.67Å
175C95.4Very high93.6Very high36 Ų3649.7 Ų49.724%0.24325%0.25CC..BIsolated β-bridgetrans-57.4143.1171.6179.70000111.1M171 K242M171-C175 HydrophobicContact CE-CB 3.94Å; M171-C175 WeakPolarHBondContact O-CB 3.46Å; M171-C175 PolarHBondContact O-N 3.47Å; C175-K242 VanDerWaalsContact SG-CA 3.57Å; C175-K242 PolarHBondContact SG-O 3.05Å
176V96.1Very high93.6Very high1 Ų150 Ų501%0.00625%0.251CS..PPolyproline II helixtrans-67.3133.3170.4178.90000108.7I180 V229 C233 R241 S244 L246V176-I180 HydrophobicContact CG1-CD1 3.69Å; V176-I180 HydrophobicContact CG1-CG1 4.05Å; V176-V229 HydrophobicContact CG2-CG1 4.11Å; V176-C233 HydrophobicContact CG1-CB 4.11Å; V176-R241 HydrophobicContact CG1-CB 4.37Å; V176-S244 PolarHBondContact N-O 3.49Å; V176-L246 HydrophobicContact CG2-CD2 3.96Å; V176-L246 HydrophobicContact CG2-CG 3.97Å
177P93.1Very high93.5Very high68 Ų6845.8 Ų45.844%0.44223%0.232SC..PPolyproline II helixtrans-64.7157.3178.327.3-35.4000111.8E179P177-E179 VanDerWaalsContact C-N 3.34Å; P177-E179 WeakPolarHBondContact CB-O 3.22Å; P177-E179 WeakPolarHBondContact CG-O 3.44Å; P177-E179 PolarHBondContact O-N 2.87Å
178E91.6Very high93.3Very high93 Ų9347.5 Ų47.544%0.43524%0.241SC..SBendtrans-61.8-44.7178.7-167.8170.416900111.7P238 R241 K242E178-P238 HydrophobicContact CG-CB 3.64Å; E178-R241 WeakPolarHBondContact O-CD 3.4Å; E178-R241 PolarHBondContact O-NH1 2.9Å; E178-K242 WeakPolarHBondContact OE2-CE 3.43Å; E178-K242 IonicContact OE2-NZ 3.3Å; E178-K242 PolarHBondContact OE2-NZ 2.69Å
179E93.3Very high93Very high172 Ų17250 Ų5080%0.80426%0.255SS*.SBendtrans-97.7127.7172.7-64.5-174.9175.200109.6P177P177-E179 VanDerWaalsContact C-N 3.34Å; P177-E179 WeakPolarHBondContact CB-O 3.22Å; P177-E179 WeakPolarHBondContact CG-O 3.44Å; P177-E179 PolarHBondContact O-N 2.87Å
180I94.6Very high92.3Very high23 Ų2355.8 Ų55.812%0.11829%0.285CS..  trans-111.3120.9176.8-60.7174.5000106.8V176 I182 T185 R230 C233 L234 R241V176-I180 HydrophobicContact CG1-CD1 3.69Å; V176-I180 HydrophobicContact CG1-CG1 4.05Å; I180-I182 PolarHBondContact O-N 3.26Å; I180-T185 HydrophobicContact CG2-CG2 3.97Å; I180-R230 HydrophobicContact CG2-CB 4.15Å; I180-C233 HydrophobicContact CD1-CB 3.34Å; I180-L234 HydrophobicContact CB-CD2 3.97Å; I180-L234 HydrophobicContact CG2-CD2 3.84Å; I180-L234 HydrophobicContact CG2-CG 4.41Å; I180-R241 HydrophobicContact CD1-CG 4.29Å
181D92.6Very high91.5Very high75 Ų7561.7 Ų61.740%0.40132%0.316SS..  trans-69.8122.7169.6-168-18000108.6R183 D184D181-R183 PolarHBondContact O-N 2.98Å; D181-R183 VanDerWaalsContact O-N 3.1Å; D181-R183 WeakPolarHBondContact OD1-CB 3.22Å; D181-R183 VanDerWaalsContact OD1-CG 3.27Å; D181-R183 WeakPolarHBondContact OD1-CG 3.28Å; D181-R183 PolarHBondContact OD1-N 3.27Å; D181-R183 WeakPolarHBondContact OD2-CD 3.3Å; D181-D184 PolarHBondContact O-N 3.33Å
182I91.8Very high90.5Very high24 Ų2462.7 Ų62.712%0.12332%0.321CS..G310 helixtrans-58.6-24.5178.2-162167.5000111.6I180 D184 T185 L187 N188 L234 R375I180-I182 PolarHBondContact O-N 3.26Å; I182-D184 PolarHBondContact O-N 3.1Å; I182-T185 WeakPolarHBondContact O-CB 3.48Å; I182-T185 PolarHBondContact O-N 3.44Å; I182-T185 VanDerWaalsContact O-N 3.1Å; I182-T185 PolarHBondContact O-OG1 3.38Å; I182-L187 HydrophobicContact CD1-CB 4.07Å; I182-L187 HydrophobicContact CD1-CD1 4.41Å; I182-L187 HydrophobicContact CG1-CB 3.97Å; I182-N188 WeakPolarHBondContact O-CB 3.43Å; I182-L234 HydrophobicContact CG1-CD1 4.21Å; I182-R375 HydrophobicContact CD1-CB 3.84Å
183R91.1Very high89.6Confident155 Ų15561 Ų6159%0.58533%0.328SS*.G310 helixtrans-60.3-27.8176.3-66.1173.7-178.8170.8-0.4113.5D181 T185D181-R183 PolarHBondContact O-N 2.98Å; D181-R183 VanDerWaalsContact O-N 3.1Å; D181-R183 WeakPolarHBondContact OD1-CB 3.22Å; D181-R183 VanDerWaalsContact OD1-CG 3.27Å; D181-R183 WeakPolarHBondContact OD1-CG 3.28Å; D181-R183 PolarHBondContact OD1-N 3.27Å; D181-R183 WeakPolarHBondContact OD2-CD 3.3Å; R183-T185 PolarHBondContact O-N 2.88Å
184D92.6Very high88.6Confident84 Ų8462.2 Ų62.245%0.44933%0.328SS..G310 helixtrans-87.711.4179.7-62.2-30.1000112.9D181 I182D181-D184 PolarHBondContact O-N 3.33Å; I182-D184 PolarHBondContact O-N 3.1Å
185T94.6Very high87.1Confident0 Ų064.4 Ų64.40%035%0.349CS..SBendtrans-122.6167.8-173.678.10000111.7I180 I182 R183 L187 N188 K227 R230 T231 L234I180-T185 HydrophobicContact CG2-CG2 3.97Å; I182-T185 WeakPolarHBondContact O-CB 3.48Å; I182-T185 PolarHBondContact O-N 3.44Å; I182-T185 VanDerWaalsContact O-N 3.1Å; I182-T185 PolarHBondContact O-OG1 3.38Å; R183-T185 PolarHBondContact O-N 2.88Å; T185-L187 PolarHBondContact O-N 3.46Å; T185-L187 PolarHBondContact OG1-N 3.38Å; T185-N188 PolarHBondContact O-N 2.85Å; T185-K227 VanDerWaalsContact C-CE 3.5Å; T185-K227 WeakPolarHBondContact O-CE 3.36Å; T185-R230 HydrophobicContact CG2-CB 3.9Å; T185-T231 WeakPolarHBondContact CB-OG1 3.4Å; T185-L234 HydrophobicContact CG2-CD1 3.77Å; T185-L234 HydrophobicContact CG2-CG 4.15Å
186V93.6Very high85.7Confident5 Ų566.7 Ų66.73%0.0337%0.365CS..G310 helixtrans-64.8-25.2175.5-178.80000111.6N188 D189 L201 K227 I228 T231V186-N188 PolarHBondContact O-N 3.45Å; V186-N188 VanDerWaalsContact O-N 3.1Å; V186-D189 WeakPolarHBondContact O-CB 3.13Å; V186-D189 PolarHBondContact O-N 2.96Å; V186-L201 HydrophobicContact CB-CD1 4.48Å; V186-L201 HydrophobicContact CG1-CD1 4.28Å; V186-L201 HydrophobicContact CG1-CD2 3.85Å; V186-K227 HydrophobicContact CG2-CD 4.17Å; V186-K227 HydrophobicContact CG2-CG 4.05Å; V186-I228 HydrophobicContact CG2-CD1 3.7Å; V186-T231 HydrophobicContact CB-CG2 4.17Å; V186-T231 PolarHBondContact N-OG1 3.38Å
187L91.1Very high85Confident0 Ų069.1 Ų69.10%038%0.376CS..G310 helixtrans-69.3-6.9180-60.4-172.9000113.9I182 T185 T231 L234 F361 V365 F366 R375 L379I182-L187 HydrophobicContact CD1-CB 4.07Å; I182-L187 HydrophobicContact CD1-CD1 4.41Å; I182-L187 HydrophobicContact CG1-CB 3.97Å; T185-L187 PolarHBondContact O-N 3.46Å; T185-L187 PolarHBondContact OG1-N 3.38Å; L187-T231 HydrophobicContact CG-CG2 4.42Å; L187-L234 HydrophobicContact CD1-CD1 3.67Å; L187-L234 HydrophobicContact CG-CD1 4.28Å; L187-F361 HydrophobicContact CD1-CZ 4.44Å; L187-V365 HydrophobicContact CD2-CG1 4.44Å; L187-F366 HydrophobicContact CD2-CE2 4.22Å; L187-F366 HydrophobicContact CD2-CZ 4.22Å; L187-R375 WeakPolarHBondContact O-CD 3.23Å; L187-R375 PolarHBondContact O-NH1 2.99Å; L187-L379 HydrophobicContact CD1-CD2 4.49Å
188N90.3Very high84.6Confident41 Ų4168 Ų6822%0.21936%0.364CS..G310 helixtrans-98.4-3.7172.6-170.570000113.3I182 T185 V186 G371I182-N188 WeakPolarHBondContact O-CB 3.43Å; T185-N188 PolarHBondContact O-N 2.85Å; V186-N188 PolarHBondContact O-N 3.45Å; V186-N188 VanDerWaalsContact O-N 3.1Å; N188-G371 PolarHBondContact OD1-N 3.05Å
189D88.4Confident84.5Confident53 Ų5364.8 Ų64.828%0.28336%0.357SS..SBendtrans-66.5139.8175.7-64.1-22000109.7V186 D191 K227 R375V186-D189 WeakPolarHBondContact O-CB 3.13Å; V186-D189 PolarHBondContact O-N 2.96Å; D189-D191 VanDerWaalsContact C-N 3.28Å; D189-D191 PolarHBondContact O-N 3.25Å; D189-K227 IonicContact OD1-NZ 2.69Å; D189-K227 PolarHBondContact OD1-NZ 3.31Å; D189-K227 IonicContact OD2-NZ 3.49Å; D189-K227 PolarHBondContact OD2-NZ 3.37Å; D189-R375 PolarHBondContact O-NH1 2.91Å
190D79.3Confident84.5Confident123 Ų12357 Ų5766%0.65832%0.32SS*.SBendtrans-58.4-42.4-173.9-73.6-50.4000111.7P370 R375D190-P370 WeakPolarHBondContact OD1-CG 3.43Å; D190-R375 PolarHBondContact O-NH2 3.18Å
191D77Confident84.5Confident129 Ų12956 Ų5669%0.6932%0.315SS*.SBendtrans-127.1154.1174.5-81.7-41.7000110.8D189 G193D189-D191 VanDerWaalsContact C-N 3.28Å; D189-D191 PolarHBondContact O-N 3.25Å; D191-G193 PolarHBondContact O-N 3.4Å; D191-G193 VanDerWaalsContact O-N 3.14Å
192I74.2Confident84.6Confident22 Ų2253.4 Ų53.411%0.11330%0.3CS..  trans-69.8-1.6174.9-166.6154.6000113.5H197 E198 L201 I362 F366I192-H197 PolarHBondContact O-CD2 3.03Å; I192-E198 HydrophobicContact CD1-CB 4.08Å; I192-E198 HydrophobicContact CD1-CG 3.59Å; I192-E198 HydrophobicContact CG1-CB 3.96Å; I192-E198 HydrophobicContact CG1-CG 3.98Å; I192-E198 HydrophobicContact CG2-CB 4.12Å; I192-E198 HydrophobicContact CG2-CG 4Å; I192-L201 HydrophobicContact CD1-CD2 3.89Å; I192-L201 HydrophobicContact CG1-CD2 4.16Å; I192-I362 HydrophobicContact CD1-CG2 3.16Å; I192-F366 HydrophobicContact CB-CD1 4.16Å; I192-F366 HydrophobicContact CB-CD2 4.07Å; I192-F366 HydrophobicContact CB-CE1 4.18Å; I192-F366 HydrophobicContact CB-CE2 4.12Å; I192-F366 HydrophobicContact CB-CG 4.11Å; I192-F366 HydrophobicContact CB-CZ 4.16Å; I192-F366 HydrophobicContact CD1-CD2 3.84Å; I192-F366 HydrophobicContact CD1-CE2 3.58Å; I192-F366 HydrophobicContact CD1-CZ 4.22Å; I192-F366 HydrophobicContact CG1-CD2 4.37Å; I192-F366 HydrophobicContact CG1-CE2 4.04Å; I192-F366 HydrophobicContact CG1-CZ 4.19Å
193G72.8Confident84.8Confident50 Ų5057.7 Ų57.752%0.51532%0.318SS..  trans82.3-157.3-17800000113.4D191D191-G193 PolarHBondContact O-N 3.4Å; D191-G193 VanDerWaalsContact O-N 3.14Å
194D72.6Confident85.1Confident104 Ų10450.3 Ų50.356%0.55629%0.291SS*.SBendtrans-72169.1178.369.310.5000112.4C196 H197 E198D194-C196 PolarHBondContact O-N 3.19Å; D194-C196 WeakPolarHBondContact OD1-CB 3.49Å; D194-C196 PolarHBondContact OD1-N 2.77Å; D194-H197 PolarHBondContact O-N 2.88Å; D194-H197 PolarHBondContact OD1-N 3.3Å; D194-E198 PolarHBondContact O-N 2.96Å
195S62.4Low85.4Confident95 Ų9546.3 Ų46.366%0.66427%0.269SS*.Hα-helixtrans-57.9-24.2-179.857.30000113.5G199S195-G199 PolarHBondContact O-N 3.05Å
196C67.8Low85.5Confident84 Ų8446.4 Ų46.457%0.56827%0.27SS*.Hα-helixtrans-74.3-43.5176.9-66.70000111.1D194 G199 F200D194-C196 PolarHBondContact O-N 3.19Å; D194-C196 WeakPolarHBondContact OD1-CB 3.49Å; D194-C196 PolarHBondContact OD1-N 2.77Å; C196-G199 PolarHBondContact O-N 3.01Å; C196-F200 WeakPolarHBondContact O-CB 3.09Å; C196-F200 PolarHBondContact O-N 3.04Å
197H80.6Confident85.7Confident52 Ų5246.2 Ų46.224%0.24127%0.268CS..Hα-helixtrans-67-39.8176.7-161.254.3000111.6I192 D194 F200 L201I192-H197 PolarHBondContact O-CD2 3.03Å; D194-H197 PolarHBondContact O-N 2.88Å; D194-H197 PolarHBondContact OD1-N 3.3Å; H197-F200 PolarHBondContact O-N 3.04Å; H197-L201 WeakPolarHBondContact O-CB 3.3Å; H197-L201 PolarHBondContact O-N 3.16Å
198E84.5Confident86Confident43 Ų4346.2 Ų46.220%0.20127%0.268CS..Hα-helixtrans-61.2-48.9174.2-169.9-160.8123.600112.1I192 D194 F200 L201 H202 R359I192-E198 HydrophobicContact CD1-CB 4.08Å; I192-E198 HydrophobicContact CD1-CG 3.59Å; I192-E198 HydrophobicContact CG1-CB 3.96Å; I192-E198 HydrophobicContact CG1-CG 3.98Å; I192-E198 HydrophobicContact CG2-CB 4.12Å; I192-E198 HydrophobicContact CG2-CG 4Å; D194-E198 PolarHBondContact O-N 2.96Å; E198-F200 VanDerWaalsContact C-N 3.29Å; E198-F200 PolarHBondContact O-N 3.48Å; E198-L201 PolarHBondContact O-N 3.17Å; E198-H202 WeakPolarHBondContact O-CB 3.44Å; E198-H202 PolarHBondContact O-N 3.27Å; E198-R359 IonicContact OE1-CZ 2.71Å; E198-R359 IonicContact OE1-NH1 3.65Å; E198-R359 PolarHBondContact OE1-NH1 3.38Å; E198-R359 IonicContact OE1-NH2 2.7Å; E198-R359 PolarHBondContact OE1-NH2 2.95Å
199G89.1Confident86.3Confident26 Ų2644.4 Ų44.427%0.26826%0.259SS..Hα-helixtrans-62.2-36.1176.300000112.9S195 C196 K203S195-G199 PolarHBondContact O-N 3.05Å; C196-G199 PolarHBondContact O-N 3.01Å; G199-K203 WeakPolarHBondContact O-CB 3.34Å; G199-K203 VanDerWaalsContact O-CG 3.26Å; G199-K203 WeakPolarHBondContact O-CG 3.48Å; G199-K203 PolarHBondContact O-N 3.05Å; G199-K203 VanDerWaalsContact O-N 3.1Å
200F94.1Very high86.7Confident8 Ų842.6 Ų42.64%0.03525%0.249CC..Hα-helixtrans-66.7-51175.1169.2-105.5000112C196 H197 E198 H202 K203 A204 I228 I289 V291 N294 V296C196-F200 WeakPolarHBondContact O-CB 3.09Å; C196-F200 PolarHBondContact O-N 3.04Å; H197-F200 PolarHBondContact O-N 3.04Å; E198-F200 VanDerWaalsContact C-N 3.29Å; E198-F200 PolarHBondContact O-N 3.48Å; F200-H202 VanDerWaalsContact C-N 3.33Å; F200-H202 PolarHBondContact O-N 2.98Å; F200-K203 PolarHBondContact O-N 2.92Å; F200-A204 WeakPolarHBondContact O-CB 3.29Å; F200-A204 PolarHBondContact O-N 3.22Å; F200-I228 HydrophobicContact CE1-CD1 4.23Å; F200-I289 HydrophobicContact CE2-CG2 3.79Å; F200-I289 HydrophobicContact CZ-CG2 3.61Å; F200-V291 HydrophobicContact CZ-CG1 4.29Å; F200-N294 HydrophobicContact CB-CB 4.21Å; F200-N294 VanDerWaalsContact CD2-C 3.43Å; F200-N294 HydrophobicContact CD2-CB 3.78Å; F200-N294 WeakPolarHBondContact CD2-O 3.33Å; F200-N294 HydrophobicContact CE2-CB 4.31Å; F200-N294 HydrophobicContact CG-CB 3.96Å; F200-V296 HydrophobicContact CD2-CG2 3.87Å; F200-V296 HydrophobicContact CE2-CG2 3.8Å
201L94.6Very high87.5Confident3 Ų336.8 Ų36.82%0.01622%0.218CC..Hα-helixtrans-61.9-43-178.8-177.562.9000111.3V186 I192 H197 E198 A204 I205 T231 I362 F366V186-L201 HydrophobicContact CB-CD1 4.48Å; V186-L201 HydrophobicContact CG1-CD1 4.28Å; V186-L201 HydrophobicContact CG1-CD2 3.85Å; I192-L201 HydrophobicContact CD1-CD2 3.89Å; I192-L201 HydrophobicContact CG1-CD2 4.16Å; H197-L201 WeakPolarHBondContact O-CB 3.3Å; H197-L201 PolarHBondContact O-N 3.16Å; E198-L201 PolarHBondContact O-N 3.17Å; L201-A204 PolarHBondContact O-N 2.9Å; L201-I205 HydrophobicContact CD1-CD1 3.85Å; L201-I205 HydrophobicContact CD1-CG1 4.28Å; L201-I205 HydrophobicContact CG-CD1 3.95Å; L201-I205 WeakPolarHBondContact O-CG1 3.39Å; L201-I205 PolarHBondContact O-N 3.03Å; L201-T231 HydrophobicContact CD1-CG2 4.31Å; L201-I362 HydrophobicContact CG-CD1 4.45Å; L201-F366 HydrophobicContact CD2-CE2 4.04Å; L201-F366 HydrophobicContact CD2-CZ 4.04Å
202H95.1Very high88.4Confident20 Ų2030.8 Ų30.89%0.09319%0.186CC..Hα-helixtrans-56.1-55.9173.1175.1-110000111.4E198 F200 A204 I205 S206 D355 I362E198-H202 WeakPolarHBondContact O-CB 3.44Å; E198-H202 PolarHBondContact O-N 3.27Å; F200-H202 VanDerWaalsContact C-N 3.33Å; F200-H202 PolarHBondContact O-N 2.98Å; H202-A204 VanDerWaalsContact C-N 3.27Å; H202-A204 PolarHBondContact O-N 3.16Å; H202-I205 PolarHBondContact O-N 2.74Å; H202-S206 VanDerWaalsContact O-CB 3.32Å; H202-S206 WeakPolarHBondContact O-CB 3.26Å; H202-S206 PolarHBondContact O-N 2.95Å; H202-S206 PolarHBondContact O-OG 3.15Å; H202-D355 IonicContact CE1-OD2 2.87Å; H202-D355 IonicContact NE2-OD1 3.92Å; H202-D355 IonicContact NE2-OD2 2.67Å; H202-D355 PolarHBondContact NE2-OD2 2.8Å; H202-I362 HydrophobicContact CB-CD1 3.81Å
203K96Very high89.5Confident114 Ų11429.9 Ų29.950%0.49618%0.182SC..Hα-helixtrans-58.4-39.1178.9-74.7176.2-179.4-177.10112.6G199 F200 S207 V296G199-K203 WeakPolarHBondContact O-CB 3.34Å; G199-K203 VanDerWaalsContact O-CG 3.26Å; G199-K203 WeakPolarHBondContact O-CG 3.48Å; G199-K203 PolarHBondContact O-N 3.05Å; G199-K203 VanDerWaalsContact O-N 3.1Å; F200-K203 PolarHBondContact O-N 2.92Å; K203-S207 WeakPolarHBondContact O-CB 3.43Å; K203-S207 PolarHBondContact O-N 3.21Å; K203-V296 HydrophobicContact CB-CB 4.13Å; K203-V296 HydrophobicContact CB-CG1 4.45Å; K203-V296 HydrophobicContact CB-CG2 4.03Å
204A97Very high90.7Very high1 Ų127.8 Ų27.81%0.00816%0.159CC..Hα-helixtrans-63.5-49.8179.900000111.7F200 L201 H202 H208 I289 V296F200-A204 WeakPolarHBondContact O-CB 3.29Å; F200-A204 PolarHBondContact O-N 3.22Å; L201-A204 PolarHBondContact O-N 2.9Å; H202-A204 VanDerWaalsContact C-N 3.27Å; H202-A204 PolarHBondContact O-N 3.16Å; A204-H208 WeakPolarHBondContact O-CB 3.3Å; A204-H208 PolarHBondContact O-N 2.82Å; A204-I289 HydrophobicContact CB-CD1 4Å; A204-V296 HydrophobicContact CB-CG2 4.14Å
205I97.6Very high91.9Very high0 Ų022.9 Ų22.90%013%0.133CC..Hα-helixtrans-68.3-45.9-180-64.8168.5000110.5L201 H202 S207 H208 L209 L232 F235 V358 I362L201-I205 HydrophobicContact CD1-CD1 3.85Å; L201-I205 HydrophobicContact CD1-CG1 4.28Å; L201-I205 HydrophobicContact CG-CD1 3.95Å; L201-I205 WeakPolarHBondContact O-CG1 3.39Å; L201-I205 PolarHBondContact O-N 3.03Å; H202-I205 PolarHBondContact O-N 2.74Å; I205-S207 PolarHBondContact O-N 3.28Å; I205-H208 WeakPolarHBondContact O-CB 3.41Å; I205-H208 PolarHBondContact O-N 3.4Å; I205-L209 HydrophobicContact CG2-CD1 3.99Å; I205-L209 HydrophobicContact CG2-CG 4.47Å; I205-L209 WeakPolarHBondContact O-CG 3.43Å; I205-L209 PolarHBondContact O-N 2.99Å; I205-L232 HydrophobicContact CG1-CD2 4.3Å; I205-F235 HydrophobicContact CD1-CE2 3.91Å; I205-F235 HydrophobicContact CD1-CZ 3.87Å; I205-F235 HydrophobicContact CG1-CE2 3.97Å; I205-F235 HydrophobicContact CG1-CZ 4.25Å; I205-F235 HydrophobicContact CG2-CD1 4.31Å; I205-F235 HydrophobicContact CG2-CD2 4.35Å; I205-F235 HydrophobicContact CG2-CE1 3.87Å; I205-F235 HydrophobicContact CG2-CE2 3.9Å; I205-F235 HydrophobicContact CG2-CZ 3.65Å; I205-V358 HydrophobicContact CB-CG1 3.83Å; I205-V358 HydrophobicContact CG2-CG1 3.52Å; I205-V358 HydrophobicContact CG2-CG2 4.33Å; I205-I362 HydrophobicContact CD1-CD1 4.09Å; I205-I362 HydrophobicContact CD1-CG1 4.48Å
206S97.3Very high93.5Very high2 Ų218.4 Ų18.41%0.01410%0.102CC..Hα-helixtrans-59.4-50178.7-60.10000111.9H202 H208 L209 Q210 D355 V358H202-S206 VanDerWaalsContact O-CB 3.32Å; H202-S206 WeakPolarHBondContact O-CB 3.26Å; H202-S206 PolarHBondContact O-N 2.95Å; H202-S206 PolarHBondContact O-OG 3.15Å; S206-H208 PolarHBondContact O-N 3.08Å; S206-L209 PolarHBondContact O-N 3.28Å; S206-Q210 WeakPolarHBondContact O-CB 2.78Å; S206-Q210 WeakPolarHBondContact O-CG 3.22Å; S206-Q210 PolarHBondContact O-N 2.72Å; S206-D355 WeakPolarHBondContact CB-OD2 3.48Å; S206-D355 PolarHBondContact OG-OD2 3.41Å; S206-V358 WeakPolarHBondContact OG-CB 3.45Å
207S97.4Very high95Very high0 Ų014.4 Ų14.40%08%0.075CC..Hα-helixtrans-63.9-42179.1-171.40000111.6K203 I205 L209 Q210 T211 T287 Q298K203-S207 WeakPolarHBondContact O-CB 3.43Å; K203-S207 PolarHBondContact O-N 3.21Å; I205-S207 PolarHBondContact O-N 3.28Å; S207-L209 PolarHBondContact O-N 3.13Å; S207-Q210 PolarHBondContact O-N 3.49Å; S207-T211 WeakPolarHBondContact O-CG2 3.47Å; S207-T211 PolarHBondContact O-N 2.91Å; S207-T211 PolarHBondContact O-OG1 3.1Å; S207-T287 VanDerWaalsContact C-OG1 3.23Å; S207-T287 PolarHBondContact O-OG1 2.69Å; S207-T287 VanDerWaalsContact O-OG1 3.08Å; S207-T287 WeakPolarHBondContact OG-CG2 3.26Å; S207-T287 PolarHBondContact OG-OG1 2.94Å; S207-Q298 WeakPolarHBondContact OG-CB 3.36Å; S207-Q298 VanDerWaalsContact OG-CG 3.23Å; S207-Q298 WeakPolarHBondContact OG-CG 3.41Å; S207-Q298 PolarHBondContact OG-NE2 3.42Å
208H97.8Very high95.7Very high0 Ų012 Ų120%06%0.064CC..Hα-helixtrans-56.4-47.6175.6171.979.2000112.2A204 I205 S206 T211 G213 S215 L232 V261A204-H208 WeakPolarHBondContact O-CB 3.3Å; A204-H208 PolarHBondContact O-N 2.82Å; I205-H208 WeakPolarHBondContact O-CB 3.41Å; I205-H208 PolarHBondContact O-N 3.4Å; S206-H208 PolarHBondContact O-N 3.08Å; H208-T211 CarbonylContact O-C 3.52Å; H208-T211 PolarHBondContact O-N 2.98Å; H208-T211 PolarHBondContact O-OG1 2.9Å; H208-G213 VanDerWaalsContact CE1-CA 3.43Å; H208-G213 WeakPolarHBondContact CE1-CA 3.03Å; H208-G213 PolarHBondContact CE1-O 3.32Å; H208-G213 VanDerWaalsContact O-CA 3.27Å; H208-G213 WeakPolarHBondContact O-CA 3.42Å; H208-G213 PolarHBondContact O-N 2.83Å; H208-S215 PolarHBondContact ND1-OG 3.13Å; H208-L232 HydrophobicContact CB-CD2 3.91Å; H208-L232 PolarHBondContact NE2-O 2.85Å; H208-V261 VanDerWaalsContact CE1-CG2 3.5Å; H208-V261 WeakPolarHBondContact CE1-CG2 3.47Å
209L97.5Very high96.2Very high4 Ų410 Ų102%0.0215%0.054CC..Hα-helixtrans-67.2-38.7178.3-72.1174000112.2I205 S206 S207 T211 C212 F235 V358 F382 L386 I428 A431I205-L209 HydrophobicContact CG2-CD1 3.99Å; I205-L209 HydrophobicContact CG2-CG 4.47Å; I205-L209 WeakPolarHBondContact O-CG 3.43Å; I205-L209 PolarHBondContact O-N 2.99Å; S206-L209 PolarHBondContact O-N 3.28Å; S207-L209 PolarHBondContact O-N 3.13Å; L209-T211 VanDerWaalsContact C-N 3.32Å; L209-T211 PolarHBondContact O-N 3.42Å; L209-C212 PolarHBondContact O-N 2.98Å; L209-F235 HydrophobicContact CD1-CD1 4.38Å; L209-F235 HydrophobicContact CD2-CB 4.02Å; L209-F235 HydrophobicContact CD2-CD1 4.41Å; L209-F235 HydrophobicContact CD2-CG 4.5Å; L209-V358 HydrophobicContact CD1-CG2 3.75Å; L209-F382 HydrophobicContact CD1-CE1 4.36Å; L209-L386 HydrophobicContact CD1-CD1 4.14Å; L209-L386 HydrophobicContact CD2-CD1 4.46Å; L209-I428 HydrophobicContact CB-CB 4.49Å; L209-I428 HydrophobicContact CB-CD1 4.43Å; L209-I428 HydrophobicContact CB-CG1 3.95Å; L209-I428 HydrophobicContact CB-CG2 4.03Å; L209-I428 HydrophobicContact CD1-CG2 4.34Å; L209-A431 VanDerWaalsContact O-CB 3.29Å; L209-A431 WeakPolarHBondContact O-CB 3.49Å
210Q95.6Very high96.4Very high14 Ų1412.2 Ų12.27%0.0657%0.066CC..Hα-helixtrans-68.2-28.9176.1-70.9171.83.500112.9S206 S207 C212 G424 N427 I428 A431S206-Q210 WeakPolarHBondContact O-CB 2.78Å; S206-Q210 WeakPolarHBondContact O-CG 3.22Å; S206-Q210 PolarHBondContact O-N 2.72Å; S207-Q210 PolarHBondContact O-N 3.49Å; Q210-C212 VanDerWaalsContact C-N 3.31Å; Q210-C212 PolarHBondContact O-N 3.41Å; Q210-G424 PolarHBondContact NE2-O 2.87Å; Q210-N427 HydrophobicContact CB-CB 4.43Å; Q210-N427 HydrophobicContact CG-CB 3.91Å; Q210-I428 HydrophobicContact CG-CD1 4.46Å; Q210-I428 HydrophobicContact CG-CG1 3.56Å; Q210-A431 WeakPolarHBondContact O-CB 3.46Å
211T95.8Very high96.4Very high2 Ų214.5 Ų14.51%0.0128%0.079CC..THydrogen-bonded Turntrans-95.639.9175.962.20000112.6S207 H208 L209 G213 C214 P285 T287 Q298S207-T211 WeakPolarHBondContact O-CG2 3.47Å; S207-T211 PolarHBondContact O-N 2.91Å; S207-T211 PolarHBondContact O-OG1 3.1Å; H208-T211 CarbonylContact O-C 3.52Å; H208-T211 PolarHBondContact O-N 2.98Å; H208-T211 PolarHBondContact O-OG1 2.9Å; L209-T211 VanDerWaalsContact C-N 3.32Å; L209-T211 PolarHBondContact O-N 3.42Å; T211-G213 PolarHBondContact O-N 2.74Å; T211-C214 PolarHBondContact O-N 2.86Å; T211-C214 PolarHBondContact OG1-O 3.27Å; T211-P285 WeakPolarHBondContact CB-O 3.31Å; T211-P285 HydrophobicContact CG2-CB 4.36Å; T211-P285 HydrophobicContact CG2-CG 4.42Å; T211-T287 VanDerWaalsContact CG2-OG1 3.3Å; T211-T287 WeakPolarHBondContact CG2-OG1 3.33Å; T211-T287 PolarHBondContact OG1-OG1 3.28Å; T211-Q298 HydrophobicContact CG2-CG 3.4Å; T211-Q298 VanDerWaalsContact CG2-CG 3.4Å
212C96.6Very high96.5Very high2 Ų215.3 Ų15.31%0.0148%0.084CC..THydrogen-bonded Turntrans55.624.9174.7-56.30000114.6L209 Q210 C214 Y284 K435L209-C212 PolarHBondContact O-N 2.98Å; Q210-C212 VanDerWaalsContact C-N 3.31Å; Q210-C212 PolarHBondContact O-N 3.41Å; C212-C214 VanDerWaalsContact C-N 3.3Å; C212-Y284 HydrophobicContact CB-CD1 3.77Å; C212-Y284 HydrophobicContact CB-CD2 4.46Å; C212-Y284 HydrophobicContact CB-CE1 4.39Å; C212-Y284 HydrophobicContact CB-CG 3.81Å; C212-K435 HydrophobicContact CB-CD 4.21Å; C212-K435 HydrophobicContact CB-CG 4.09Å; C212-K435 WeakPolarHBondContact O-CD 3.48Å
213G96.7Very high96.5Very high3 Ų320.2 Ų20.23%0.03111%0.107CC..THydrogen-bonded Turntrans78.110-177.300000114.7H208 T211H208-G213 VanDerWaalsContact CE1-CA 3.43Å; H208-G213 WeakPolarHBondContact CE1-CA 3.03Å; H208-G213 PolarHBondContact CE1-O 3.32Å; H208-G213 VanDerWaalsContact O-CA 3.27Å; H208-G213 WeakPolarHBondContact O-CA 3.42Å; H208-G213 PolarHBondContact O-N 2.83Å; T211-G213 PolarHBondContact O-N 2.74Å
214C97.8Very high96.4Very high7 Ų720.7 Ų20.75%0.04711%0.109CC..  trans-92.1124.2176.5-74.50000111.3T211 C212 F260 P285 T287T211-C214 PolarHBondContact O-N 2.86Å; T211-C214 PolarHBondContact OG1-O 3.27Å; C212-C214 VanDerWaalsContact C-N 3.3Å; C214-F260 CarbonylContact C-O 3.48Å; C214-F260 WeakPolarHBondContact CA-O 3.26Å; C214-P285 VanDerWaalsContact CB-O 3.26Å; C214-P285 WeakPolarHBondContact CB-O 3.2Å; C214-T287 PolarHBondContact O-N 3.11Å
215S98.1Very high96.4Very high1 Ų120.7 Ų20.71%0.00711%0.109CC..EExtended strand (participates in β ladder)trans-151.8147.4-177.5-58.10000113.5H208 F260 V261 Q262 T287H208-S215 PolarHBondContact ND1-OG 3.13Å; S215-F260 PolarHBondContact N-O 3.1Å; S215-V261 VanDerWaalsContact O-CA 3.31Å; S215-V261 WeakPolarHBondContact O-CA 3.04Å; S215-Q262 PolarHBondContact O-N 2.89Å; S215-T287 CarbonylContact C-O 3.12Å; S215-T287 VanDerWaalsContact CA-O 3.28Å; S215-T287 WeakPolarHBondContact CA-O 3.44Å
216V97.6Very high96.4Very high1 Ų121.7 Ų21.71%0.00611%0.114CC..EExtended strand (participates in β ladder)trans-117.5124170.5173.40000107.9V218 Y255 L264 L274 T286 T287 I289V216-V218 HydrophobicContact CG1-CG1 3.91Å; V216-Y255 HydrophobicContact CG2-CD2 3.55Å; V216-Y255 HydrophobicContact CG2-CE2 3.4Å; V216-Y255 VanDerWaalsContact CG2-CE2 3.4Å; V216-L264 HydrophobicContact CG1-CD1 3.78Å; V216-L264 HydrophobicContact CG1-CG 4.36Å; V216-L274 HydrophobicContact CG1-CD1 4.49Å; V216-T286 HydrophobicContact CB-CG2 4.29Å; V216-T286 HydrophobicContact CG2-CG2 3.75Å; V216-T287 PolarHBondContact N-O 3.2Å; V216-I289 PolarHBondContact O-N 3.32Å
217V97.7Very high96.4Very high0 Ų024.5 Ų24.50%013%0.126CC..EExtended strand (participates in β ladder)trans-108.2116178.3-173.80000107.8V225 I228 V229 L232 V261 Q262 G263 L264 I289 V291V217-V225 HydrophobicContact CB-CG1 4.33Å; V217-V225 HydrophobicContact CG1-CG1 4.08Å; V217-I228 HydrophobicContact CG1-CB 3.95Å; V217-I228 HydrophobicContact CG1-CG2 3.78Å; V217-I228 HydrophobicContact CG2-CG2 3.95Å; V217-V229 HydrophobicContact CB-CG2 3.88Å; V217-V229 HydrophobicContact CG1-CG2 4.47Å; V217-V229 HydrophobicContact CG2-CG2 3.87Å; V217-L232 HydrophobicContact CG2-CD1 3.82Å; V217-V261 HydrophobicContact CG2-CG1 4.38Å; V217-Q262 PolarHBondContact N-O 3.1Å; V217-G263 WeakPolarHBondContact O-CA 3.37Å; V217-L264 PolarHBondContact O-N 2.98Å; V217-I289 CarbonylContact C-O 3.58Å; V217-I289 WeakPolarHBondContact CA-O 3.43Å; V217-I289 HydrophobicContact CG2-CB 4.48Å; V217-I289 HydrophobicContact CG2-CD1 4.45Å; V217-V291 HydrophobicContact CG1-CG1 3.6Å
218V95.8Very high96.4Very high1 Ų125.1 Ų25.11%0.00613%0.129CC..EExtended strand (participates in β ladder)trans-113.5143179.7-66.10000111.2V216 L264 F272 I289 D290 V291V216-V218 HydrophobicContact CG1-CG1 3.91Å; V218-L264 WeakPolarHBondContact CA-O 3.4Å; V218-L264 HydrophobicContact CG1-CB 4.14Å; V218-F272 HydrophobicContact CG1-CD1 3.64Å; V218-F272 HydrophobicContact CG1-CD2 4.24Å; V218-F272 HydrophobicContact CG1-CE1 3.78Å; V218-F272 HydrophobicContact CG1-CE2 4.38Å; V218-F272 HydrophobicContact CG1-CG 3.89Å; V218-F272 HydrophobicContact CG1-CZ 4.18Å; V218-I289 WeakPolarHBondContact CG2-O 3.44Å; V218-I289 PolarHBondContact N-O 3.5Å; V218-D290 HydrophobicContact CG2-CB 3.87Å; V218-D290 WeakPolarHBondContact O-CA 3.5Å; V218-V291 WeakPolarHBondContact O-CG2 3.15Å; V218-V291 PolarHBondContact O-N 2.65Å
219G95Very high96.4Very high0 Ų025.1 Ų25.10%013%0.129CC..EExtended strand (participates in β ladder)trans-174.1174.3174.900000112.6L264 L265 K266 D292G219-L264 PolarHBondContact N-O 3.17Å; G219-L265 WeakPolarHBondContact O-CA 3.39Å; G219-L265 WeakPolarHBondContact O-CD2 3.48Å; G219-K266 PolarHBondContact O-N 3.06Å; G219-D292 WeakPolarHBondContact CA-OD2 3.4Å
220S93.7Very high96.5Very high73 Ų7328 Ų2851%0.5114%0.14SC..SBendtrans-91.5-19.7-179.8-54.20000112.6D292S220-D292 WeakPolarHBondContact CB-OD2 3.14Å; S220-D292 PolarHBondContact N-OD1 3.34Å; S220-D292 VanDerWaalsContact N-OD1 3.08Å; S220-D292 PolarHBondContact N-OD2 2.78Å; S220-D292 PolarHBondContact OG-OD2 3.48Å
221N94.1Very high96.6Very high57 Ų5727.3 Ų27.331%0.30514%0.137SC..  trans-110.8120.8-178.7175.4-81000111.2E223 K224 V225N221-E223 VanDerWaalsContact C-N 3.35Å; N221-E223 VanDerWaalsContact CG-OE2 3.24Å; N221-E223 PolarHBondContact ND2-OE2 2.94Å; N221-E223 PolarHBondContact O-N 2.78Å; N221-E223 WeakPolarHBondContact OD1-CA 3.21Å; N221-E223 WeakPolarHBondContact OD1-CB 3.38Å; N221-E223 PolarHBondContact OD1-N 3.08Å; N221-E223 PolarHBondContact OD1-OE2 2.73Å; N221-K224 HydrophobicContact CB-CB 4.3Å; N221-K224 HydrophobicContact CB-CD 4.26Å; N221-K224 HydrophobicContact CB-CG 4.28Å; N221-K224 PolarHBondContact O-N 3.36Å; N221-K224 WeakPolarHBondContact OD1-CG 3.42Å; N221-K224 PolarHBondContact OD1-N 3.44Å; N221-V225 WeakPolarHBondContact O-CG2 3.26Å; N221-V225 PolarHBondContact O-N 3.12Å; N221-V225 VanDerWaalsContact O-N 3.11Å
222P95.6Very high96.7Very high20 Ų2027.3 Ų27.313%0.1314%0.137CC..Hα-helixtrans-67.3-31.9-175.924.3-31.2000113.5N226 C247 A249 L265P222-N226 VanDerWaalsContact O-CB 3.23Å; P222-N226 WeakPolarHBondContact O-CB 3.46Å; P222-N226 PolarHBondContact O-N 3.33Å; P222-N226 PolarHBondContact O-ND2 3.02Å; P222-C247 WeakPolarHBondContact CA-SG 3.28Å; P222-C247 VanDerWaalsContact CB-SG 3.59Å; P222-C247 PolarHBondContact O-SG 3.46Å; P222-A249 HydrophobicContact CB-CB 4.23Å; P222-A249 HydrophobicContact CG-CB 4.02Å; P222-L265 HydrophobicContact CB-CD1 4.4Å; P222-L265 HydrophobicContact CB-CD2 4.14Å
223E95.3Very high96.8Very high122 Ų12227.2 Ų27.257%0.5714%0.136SC*.Hα-helixtrans-65.9-44.8178.2-62.572.3-152.100111.2N221 N226 K227N221-E223 VanDerWaalsContact C-N 3.35Å; N221-E223 VanDerWaalsContact CG-OE2 3.24Å; N221-E223 PolarHBondContact ND2-OE2 2.94Å; N221-E223 PolarHBondContact O-N 2.78Å; N221-E223 WeakPolarHBondContact OD1-CA 3.21Å; N221-E223 WeakPolarHBondContact OD1-CB 3.38Å; N221-E223 PolarHBondContact OD1-N 3.08Å; N221-E223 PolarHBondContact OD1-OE2 2.73Å; E223-N226 PolarHBondContact O-N 3.35Å; E223-K227 WeakPolarHBondContact O-CB 3.28Å; E223-K227 PolarHBondContact O-N 3.14Å
224K94.9Very high96.8Very high125 Ų12527.5 Ų27.554%0.54314%0.137SC..Hα-helixtrans-63.2-47.2176.3-72.5-174.3-179.8-1760111.7N221 K227 I228 V291N221-K224 HydrophobicContact CB-CB 4.3Å; N221-K224 HydrophobicContact CB-CD 4.26Å; N221-K224 HydrophobicContact CB-CG 4.28Å; N221-K224 PolarHBondContact O-N 3.36Å; N221-K224 WeakPolarHBondContact OD1-CG 3.42Å; N221-K224 PolarHBondContact OD1-N 3.44Å; K224-K227 PolarHBondContact O-N 3.12Å; K224-I228 PolarHBondContact O-N 3.41Å; K224-I228 VanDerWaalsContact O-N 3.11Å; K224-V291 HydrophobicContact CB-CG2 4.34Å
225V96.8Very high96.8Very high0 Ų027.5 Ų27.50%014%0.136CC..Hα-helixtrans-58.9-50.9177.2170.70000110V217 N221 K227 I228 V229 C247 L265 V291V217-V225 HydrophobicContact CB-CG1 4.33Å; V217-V225 HydrophobicContact CG1-CG1 4.08Å; N221-V225 WeakPolarHBondContact O-CG2 3.26Å; N221-V225 PolarHBondContact O-N 3.12Å; N221-V225 VanDerWaalsContact O-N 3.11Å; V225-K227 VanDerWaalsContact C-N 3.33Å; V225-K227 PolarHBondContact O-N 3.15Å; V225-I228 PolarHBondContact O-N 2.94Å; V225-V229 HydrophobicContact CG1-CG2 4.27Å; V225-V229 WeakPolarHBondContact O-CG2 3.35Å; V225-V229 PolarHBondContact O-N 3.05Å; V225-C247 HydrophobicContact CG1-CB 3.84Å; V225-L265 HydrophobicContact CG2-CD2 4.36Å; V225-V291 HydrophobicContact CG2-CG2 3.9Å
226N97.3Very high96.8Very high21 Ų2127.8 Ų27.811%0.11214%0.137CC..Hα-helixtrans-64.2-34.6179.8-77.8-27.1000113.2P222 E223 V229 R230 L246 C247P222-N226 VanDerWaalsContact O-CB 3.23Å; P222-N226 WeakPolarHBondContact O-CB 3.46Å; P222-N226 PolarHBondContact O-N 3.33Å; P222-N226 PolarHBondContact O-ND2 3.02Å; E223-N226 PolarHBondContact O-N 3.35Å; N226-V229 PolarHBondContact O-N 3.49Å; N226-R230 WeakPolarHBondContact O-CB 3.46Å; N226-R230 WeakPolarHBondContact O-CG 3.37Å; N226-R230 PolarHBondContact O-N 2.93Å; N226-L246 HydrophobicContact CB-CD2 4.32Å; N226-L246 WeakPolarHBondContact OD1-CA 3.5Å; N226-L246 WeakPolarHBondContact OD1-CB 3.35Å; N226-C247 PolarHBondContact ND2-O 2.86Å; N226-C247 VanDerWaalsContact ND2-O 3.15Å; N226-C247 PolarHBondContact ND2-SG 3.01Å; N226-C247 PolarHBondContact OD1-N 3.3Å; N226-C247 PolarHBondContact OD1-SG 2.81Å
227K96.9Very high96.7Very high62 Ų6231 Ų3127%0.2716%0.157SC..Hα-helixtrans-61.5-44.6174.2-168.1176.6-170.2-172.10111.3T185 V186 D189 E223 K224 V225 T231T185-K227 VanDerWaalsContact C-CE 3.5Å; T185-K227 WeakPolarHBondContact O-CE 3.36Å; V186-K227 HydrophobicContact CG2-CD 4.17Å; V186-K227 HydrophobicContact CG2-CG 4.05Å; D189-K227 IonicContact OD1-NZ 2.69Å; D189-K227 PolarHBondContact OD1-NZ 3.31Å; D189-K227 IonicContact OD2-NZ 3.49Å; D189-K227 PolarHBondContact OD2-NZ 3.37Å; E223-K227 WeakPolarHBondContact O-CB 3.28Å; E223-K227 PolarHBondContact O-N 3.14Å; K224-K227 PolarHBondContact O-N 3.12Å; V225-K227 VanDerWaalsContact C-N 3.33Å; V225-K227 PolarHBondContact O-N 3.15Å; K227-T231 WeakPolarHBondContact O-CB 3.34Å; K227-T231 PolarHBondContact O-N 2.86Å; K227-T231 PolarHBondContact O-OG1 3.04Å
228I97.9Very high96.6Very high12 Ų1233.8 Ų33.86%0.06218%0.175CC..Hα-helixtrans-69.5-42.2176.9-63.2-64.9000111.5V186 F200 V217 K224 V225 R230 T231 L232 V291V186-I228 HydrophobicContact CG2-CD1 3.7Å; F200-I228 HydrophobicContact CE1-CD1 4.23Å; V217-I228 HydrophobicContact CG1-CB 3.95Å; V217-I228 HydrophobicContact CG1-CG2 3.78Å; V217-I228 HydrophobicContact CG2-CG2 3.95Å; K224-I228 PolarHBondContact O-N 3.41Å; K224-I228 VanDerWaalsContact O-N 3.11Å; V225-I228 PolarHBondContact O-N 2.94Å; I228-R230 PolarHBondContact O-N 3.13Å; I228-T231 WeakPolarHBondContact O-CB 3.47Å; I228-T231 PolarHBondContact O-N 3.4Å; I228-T231 VanDerWaalsContact O-N 3.12Å; I228-L232 HydrophobicContact CG2-CD1 4.13Å; I228-L232 HydrophobicContact CG2-CG 4.36Å; I228-L232 WeakPolarHBondContact O-CG 3.37Å; I228-L232 PolarHBondContact O-N 2.77Å; I228-V291 HydrophobicContact CB-CG1 4.25Å; I228-V291 HydrophobicContact CG1-CG1 3.81Å; I228-V291 HydrophobicContact CG2-CG1 4.43Å
229V98.3Very high96.5Very high0 Ų036.6 Ų36.60%020%0.198CC..Hα-helixtrans-56.2-49.3175.3169.20000111V176 V217 V225 N226 T231 L232 C233 L246 V261V176-V229 HydrophobicContact CG2-CG1 4.11Å; V217-V229 HydrophobicContact CB-CG2 3.88Å; V217-V229 HydrophobicContact CG1-CG2 4.47Å; V217-V229 HydrophobicContact CG2-CG2 3.87Å; V225-V229 HydrophobicContact CG1-CG2 4.27Å; V225-V229 WeakPolarHBondContact O-CG2 3.35Å; V225-V229 PolarHBondContact O-N 3.05Å; N226-V229 PolarHBondContact O-N 3.49Å; V229-T231 VanDerWaalsContact C-N 3.32Å; V229-T231 PolarHBondContact O-N 3.47Å; V229-L232 PolarHBondContact O-N 2.85Å; V229-C233 WeakPolarHBondContact O-CB 3.37Å; V229-C233 PolarHBondContact O-N 2.82Å; V229-C233 PolarHBondContact O-SG 3.19Å; V229-L246 HydrophobicContact CB-CD2 4.29Å; V229-L246 HydrophobicContact CG1-CD2 3.77Å; V229-V261 HydrophobicContact CB-CG1 4.2Å; V229-V261 HydrophobicContact CG1-CG1 3.8Å; V229-V261 HydrophobicContact CG2-CG1 4.09Å
230R98.1Very high96.5Very high64 Ų6437.8 Ų37.824%0.24220%0.204CC..Hα-helixtrans-61.6-40.6176.5-69.7-176.9-169104.90.9111.9I180 T185 N226 I228 C233 L234 L246I180-R230 HydrophobicContact CG2-CB 4.15Å; T185-R230 HydrophobicContact CG2-CB 3.9Å; N226-R230 WeakPolarHBondContact O-CB 3.46Å; N226-R230 WeakPolarHBondContact O-CG 3.37Å; N226-R230 PolarHBondContact O-N 2.93Å; I228-R230 PolarHBondContact O-N 3.13Å; R230-C233 PolarHBondContact O-N 3.32Å; R230-L234 PolarHBondContact O-N 2.9Å; R230-L246 HydrophobicContact CG-CD2 4.05Å
231T98Very high96.7Very high1 Ų136 Ų361%0.00619%0.186CC..Hα-helixtrans-59.6-46.5177.4-55.70000111.7T185 V186 L187 L201 K227 I228 V229 L234 F235T185-T231 WeakPolarHBondContact CB-OG1 3.4Å; V186-T231 HydrophobicContact CB-CG2 4.17Å; V186-T231 PolarHBondContact N-OG1 3.38Å; L187-T231 HydrophobicContact CG-CG2 4.42Å; L201-T231 HydrophobicContact CD1-CG2 4.31Å; K227-T231 WeakPolarHBondContact O-CB 3.34Å; K227-T231 PolarHBondContact O-N 2.86Å; K227-T231 PolarHBondContact O-OG1 3.04Å; I228-T231 WeakPolarHBondContact O-CB 3.47Å; I228-T231 PolarHBondContact O-N 3.4Å; I228-T231 VanDerWaalsContact O-N 3.12Å; V229-T231 VanDerWaalsContact C-N 3.32Å; V229-T231 PolarHBondContact O-N 3.47Å; T231-L234 WeakPolarHBondContact O-CB 3.44Å; T231-L234 PolarHBondContact O-N 3.07Å; T231-F235 WeakPolarHBondContact O-CD2 3.41Å
232L98.6Very high96.7Very high2 Ų236.5 Ų36.51%0.0119%0.185CC..Hα-helixtrans-68.3-39177.5-63.3174.3000111.7I205 H208 V217 I228 V229 L234 F235 V261 I289I205-L232 HydrophobicContact CG1-CD2 4.3Å; H208-L232 HydrophobicContact CB-CD2 3.91Å; H208-L232 PolarHBondContact NE2-O 2.85Å; V217-L232 HydrophobicContact CG2-CD1 3.82Å; I228-L232 HydrophobicContact CG2-CD1 4.13Å; I228-L232 HydrophobicContact CG2-CG 4.36Å; I228-L232 WeakPolarHBondContact O-CG 3.37Å; I228-L232 PolarHBondContact O-N 2.77Å; V229-L232 PolarHBondContact O-N 2.85Å; L232-L234 PolarHBondContact O-N 2.89Å; L232-L234 VanDerWaalsContact O-N 3.13Å; L232-F235 PolarHBondContact O-N 3.06Å; L232-V261 HydrophobicContact CB-CG1 4.49Å; L232-V261 HydrophobicContact CB-CG2 4.31Å; L232-V261 HydrophobicContact CD1-CG1 4.41Å; L232-I289 HydrophobicContact CD1-CD1 3.5Å; L232-I289 VanDerWaalsContact CD1-CD1 3.5Å
233C98.4Very high96.8Very high0 Ų036 Ų360%018%0.182CC..Hα-helixtrans-64-17.9178.6-69.90000113.8V176 I180 V229 R230 F235 L236 R241V176-C233 HydrophobicContact CG1-CB 4.11Å; I180-C233 HydrophobicContact CD1-CB 3.34Å; V229-C233 WeakPolarHBondContact O-CB 3.37Å; V229-C233 PolarHBondContact O-N 2.82Å; V229-C233 PolarHBondContact O-SG 3.19Å; R230-C233 PolarHBondContact O-N 3.32Å; C233-F235 PolarHBondContact O-N 3.36Å; C233-L236 PolarHBondContact O-N 3.42Å; C233-L236 VanDerWaalsContact O-N 3.13Å; C233-R241 HydrophobicContact CB-CG 4.29Å; C233-R241 PolarHBondContact O-NE 2.81Å
234L97.8Very high96.9Very high9 Ų930.1 Ų30.15%0.04716%0.155CC..THydrogen-bonded Turntrans-59.3-29.2170.5-73.2178.2000112.4I180 I182 T185 L187 R230 T231 L232 L236 R241 L379 L383I180-L234 HydrophobicContact CB-CD2 3.97Å; I180-L234 HydrophobicContact CG2-CD2 3.84Å; I180-L234 HydrophobicContact CG2-CG 4.41Å; I182-L234 HydrophobicContact CG1-CD1 4.21Å; T185-L234 HydrophobicContact CG2-CD1 3.77Å; T185-L234 HydrophobicContact CG2-CG 4.15Å; L187-L234 HydrophobicContact CD1-CD1 3.67Å; L187-L234 HydrophobicContact CG-CD1 4.28Å; R230-L234 PolarHBondContact O-N 2.9Å; T231-L234 WeakPolarHBondContact O-CB 3.44Å; T231-L234 PolarHBondContact O-N 3.07Å; L232-L234 PolarHBondContact O-N 2.89Å; L232-L234 VanDerWaalsContact O-N 3.13Å; L234-L236 VanDerWaalsContact C-N 3.32Å; L234-R241 PolarHBondContact O-NH2 3.35Å; L234-L379 HydrophobicContact CB-CD2 3.81Å; L234-L379 HydrophobicContact CD1-CD2 4.1Å; L234-L379 HydrophobicContact CD2-CD2 4.23Å; L234-L379 HydrophobicContact CG-CD2 4.29Å; L234-L383 WeakPolarHBondContact O-CD1 3.5Å
235F97.9Very high97Very high7 Ų724.3 Ų24.33%0.03113%0.129CC..THydrogen-bonded Turntrans-87.20.3179.3-59.2-91.5000113.9I205 L209 T231 L232 C233 F361 L379 F382 L383I205-F235 HydrophobicContact CD1-CE2 3.91Å; I205-F235 HydrophobicContact CD1-CZ 3.87Å; I205-F235 HydrophobicContact CG1-CE2 3.97Å; I205-F235 HydrophobicContact CG1-CZ 4.25Å; I205-F235 HydrophobicContact CG2-CD1 4.31Å; I205-F235 HydrophobicContact CG2-CD2 4.35Å; I205-F235 HydrophobicContact CG2-CE1 3.87Å; I205-F235 HydrophobicContact CG2-CE2 3.9Å; I205-F235 HydrophobicContact CG2-CZ 3.65Å; L209-F235 HydrophobicContact CD1-CD1 4.38Å; L209-F235 HydrophobicContact CD2-CB 4.02Å; L209-F235 HydrophobicContact CD2-CD1 4.41Å; L209-F235 HydrophobicContact CD2-CG 4.5Å; T231-F235 WeakPolarHBondContact O-CD2 3.41Å; L232-F235 PolarHBondContact O-N 3.06Å; C233-F235 PolarHBondContact O-N 3.36Å; F235-F361 HydrophobicContact CE1-CE1 4.07Å; F235-F361 AromaticContact CZ-CE1 3.84Å; F235-F361 HydrophobicContact CZ-CE1 3.84Å; F235-F361 HydrophobicContact CZ-CZ 4.42Å; F235-L379 HydrophobicContact CD1-CD1 4.1Å; F235-L379 HydrophobicContact CE1-CD1 3.68Å; F235-L379 HydrophobicContact CZ-CD1 3.99Å; F235-F382 HydrophobicContact CD1-CD1 4.42Å; F235-F382 HydrophobicContact CD1-CE1 4.14Å; F235-F382 HydrophobicContact CE1-CD1 4.04Å; F235-F382 AromaticContact CE1-CE1 3.81Å; F235-F382 HydrophobicContact CE1-CE1 3.81Å; F235-L383 HydrophobicContact CB-CD2 4.21Å; F235-L383 HydrophobicContact CD1-CD2 3.81Å; F235-L383 HydrophobicContact CG-CD2 4.42Å
236L97.6Very high97Very high6 Ų625.3 Ų25.33%0.03114%0.135CC..SBendtrans-99.8156.5177.6-62.7-176.4000112C233 L234 E240 R241 F260 V261C233-L236 PolarHBondContact O-N 3.42Å; C233-L236 VanDerWaalsContact O-N 3.13Å; L234-L236 VanDerWaalsContact C-N 3.32Å; L236-E240 HydrophobicContact CB-CB 3.96Å; L236-E240 HydrophobicContact CD1-CB 4.31Å; L236-E240 HydrophobicContact CD2-CB 4.46Å; L236-E240 HydrophobicContact CG-CB 4.49Å; L236-R241 HydrophobicContact CB-CG 4.09Å; L236-R241 PolarHBondContact O-NE 3.03Å; L236-R241 PolarHBondContact O-NH2 3.09Å; L236-R241 VanDerWaalsContact O-NH2 3.15Å; L236-F260 HydrophobicContact CD1-CB 3.82Å; L236-F260 HydrophobicContact CD1-CG 4.47Å; L236-F260 HydrophobicContact CD2-CD1 4.36Å; L236-V261 HydrophobicContact CD1-CG2 3.83Å
237T95.8Very high96.9Very high68 Ų6824.5 Ų24.542%0.41713%0.131SC..  trans-71.3158.1171.269.90000111.2A239 E240 R241T237-A239 PolarHBondContact O-N 3.04Å; T237-A239 VanDerWaalsContact O-N 3.16Å; T237-E240 PolarHBondContact N-OE2 2.68Å; T237-E240 PolarHBondContact O-N 3.22Å; T237-E240 VanDerWaalsContact OG1-CD 3.22Å; T237-E240 VanDerWaalsContact OG1-CG 3.22Å; T237-E240 WeakPolarHBondContact OG1-CG 3.49Å; T237-E240 PolarHBondContact OG1-N 3.32Å; T237-E240 PolarHBondContact OG1-OE2 2.79Å; T237-R241 WeakPolarHBondContact O-CG 3.27Å; T237-R241 PolarHBondContact O-N 2.74Å
238P94.8Very high96.6Very high60 Ų6023.5 Ų23.539%0.3913%0.125SC..Hα-helixtrans-49.8-38.3174.9-32.239.1000114.9E178 K242E178-P238 HydrophobicContact CG-CB 3.64Å; P238-K242 PolarHBondContact O-N 2.9Å
239A93.4Very high95.9Very high59 Ų5926.5 Ų26.549%0.48815%0.152SC..Hα-helixtrans-69.7-40.6177.700000112.3T237 K242T237-A239 PolarHBondContact O-N 3.04Å; T237-A239 VanDerWaalsContact O-N 3.16Å; A239-K242 WeakPolarHBondContact O-CB 3.47Å; A239-K242 PolarHBondContact O-N 3.04Å
240E95.9Very high94.7Very high26 Ų2631.6 Ų31.612%0.12119%0.188CC..Hα-helixtrans-71.1-31.2179-66.9166.2168.400112.4L236 T237 K242 C243 S244 F260 K435L236-E240 HydrophobicContact CB-CB 3.96Å; L236-E240 HydrophobicContact CD1-CB 4.31Å; L236-E240 HydrophobicContact CD2-CB 4.46Å; L236-E240 HydrophobicContact CG-CB 4.49Å; T237-E240 PolarHBondContact N-OE2 2.68Å; T237-E240 PolarHBondContact O-N 3.22Å; T237-E240 VanDerWaalsContact OG1-CD 3.22Å; T237-E240 VanDerWaalsContact OG1-CG 3.22Å; T237-E240 WeakPolarHBondContact OG1-CG 3.49Å; T237-E240 PolarHBondContact OG1-N 3.32Å; T237-E240 PolarHBondContact OG1-OE2 2.79Å; E240-K242 VanDerWaalsContact C-N 3.28Å; E240-K242 PolarHBondContact O-N 3.02Å; E240-C243 CarbonylContact O-C 3.57Å; E240-C243 WeakPolarHBondContact O-CA 3.34Å; E240-C243 WeakPolarHBondContact O-CB 3.31Å; E240-C243 PolarHBondContact O-N 3.16Å; E240-S244 PolarHBondContact O-N 3.39Å; E240-S244 PolarHBondContact O-OG 2.97Å; E240-S244 VanDerWaalsContact O-OG 3.13Å; E240-F260 HydrophobicContact CB-CD1 4.44Å; E240-F260 HydrophobicContact CB-CD2 4.01Å; E240-F260 HydrophobicContact CB-CE2 4.06Å; E240-F260 HydrophobicContact CB-CG 4.19Å; E240-F260 HydrophobicContact CB-CZ 4.32Å; E240-F260 HydrophobicContact CG-CD1 4.46Å; E240-F260 HydrophobicContact CG-CD2 4.25Å; E240-F260 HydrophobicContact CG-CE1 4.04Å; E240-F260 HydrophobicContact CG-CE2 3.79Å; E240-F260 HydrophobicContact CG-CZ 3.68Å; E240-K435 WeakPolarHBondContact OE1-CE 3.44Å; E240-K435 IonicContact OE1-NZ 2.83Å; E240-K435 PolarHBondContact OE1-NZ 3.31Å; E240-K435 IonicContact OE2-NZ 2.63Å; E240-K435 PolarHBondContact OE2-NZ 3.31Å
241R96.9Very high93.6Very high35 Ų3530.6 Ų30.613%0.13219%0.191CC..Hα-helixtrans-60.6-39.5170.5-67.7174.1-169.9165.75111.3V176 E178 I180 C233 L234 L236 T237 C243 S244V176-R241 HydrophobicContact CG1-CB 4.37Å; E178-R241 WeakPolarHBondContact O-CD 3.4Å; E178-R241 PolarHBondContact O-NH1 2.9Å; I180-R241 HydrophobicContact CD1-CG 4.29Å; C233-R241 HydrophobicContact CB-CG 4.29Å; C233-R241 PolarHBondContact O-NE 2.81Å; L234-R241 PolarHBondContact O-NH2 3.35Å; L236-R241 HydrophobicContact CB-CG 4.09Å; L236-R241 PolarHBondContact O-NE 3.03Å; L236-R241 PolarHBondContact O-NH2 3.09Å; L236-R241 VanDerWaalsContact O-NH2 3.15Å; T237-R241 WeakPolarHBondContact O-CG 3.27Å; T237-R241 PolarHBondContact O-N 2.74Å; R241-C243 PolarHBondContact O-N 2.91Å; R241-C243 VanDerWaalsContact O-N 3.14Å; R241-S244 WeakPolarHBondContact O-CB 3.37Å; R241-S244 PolarHBondContact O-N 3.42Å
242K95.8Very high92.6Very high67 Ų6733.1 Ų33.129%0.29121%0.208SC..THydrogen-bonded Turntrans-65.7-12.5174.1-68.1179.9-178.9171.80113.8P127 M171 C175 E178 P238 A239 E240P127-K242 HydrophobicContact CB-CB 3.93Å; P127-K242 HydrophobicContact CG-CB 3.83Å; P127-K242 HydrophobicContact CG-CD 4.05Å; M171-K242 WeakPolarHBondContact CE-O 3.39Å; C175-K242 VanDerWaalsContact SG-CA 3.57Å; C175-K242 PolarHBondContact SG-O 3.05Å; E178-K242 WeakPolarHBondContact OE2-CE 3.43Å; E178-K242 IonicContact OE2-NZ 3.3Å; E178-K242 PolarHBondContact OE2-NZ 2.69Å; P238-K242 PolarHBondContact O-N 2.9Å; A239-K242 WeakPolarHBondContact O-CB 3.47Å; A239-K242 PolarHBondContact O-N 3.04Å; E240-K242 VanDerWaalsContact C-N 3.28Å; E240-K242 PolarHBondContact O-N 3.02Å
243C96.3Very high92.1Very high9 Ų934 Ų346%0.06121%0.212CC..THydrogen-bonded Turntrans-104.122.1172-58.90000112P127 L128 E240 R241 L259 F260P127-C243 WeakPolarHBondContact CB-SG 3.41Å; P127-C243 PolarHBondContact O-SG 2.95Å; L128-C243 HydrophobicContact CD2-CB 4.42Å; E240-C243 CarbonylContact O-C 3.57Å; E240-C243 WeakPolarHBondContact O-CA 3.34Å; E240-C243 WeakPolarHBondContact O-CB 3.31Å; E240-C243 PolarHBondContact O-N 3.16Å; R241-C243 PolarHBondContact O-N 2.91Å; R241-C243 VanDerWaalsContact O-N 3.14Å; C243-L259 CarbonylContact O-C 3.57Å; C243-L259 WeakPolarHBondContact O-CA 3.24Å; C243-L259 VanDerWaalsContact O-CB 3.31Å; C243-L259 WeakPolarHBondContact O-CB 3.39Å; C243-L259 WeakPolarHBondContact O-CD2 3.42Å; C243-F260 HydrophobicContact CB-CD2 3.62Å; C243-F260 HydrophobicContact CB-CE2 4.1Å; C243-F260 PolarHBondContact O-N 2.81Å
244S97.9Very high91.6Very high0 Ų041.4 Ų41.40%024%0.244CC..  trans-124.7148.6177.8-60.60000110.9M171 V176 E240 R241 F260 V261M171-S244 WeakPolarHBondContact CE-O 3.32Å; V176-S244 PolarHBondContact N-O 3.49Å; E240-S244 PolarHBondContact O-N 3.39Å; E240-S244 PolarHBondContact O-OG 2.97Å; E240-S244 VanDerWaalsContact O-OG 3.13Å; R241-S244 WeakPolarHBondContact O-CB 3.37Å; R241-S244 PolarHBondContact O-N 3.42Å; S244-F260 WeakPolarHBondContact OG-CB 3.21Å; S244-V261 CarbonylContact C-O 3.53Å; S244-V261 WeakPolarHBondContact CA-O 3.47Å; S244-V261 VanDerWaalsContact CB-O 3.28Å; S244-V261 WeakPolarHBondContact CB-O 3.31Å; S244-V261 PolarHBondContact OG-N 3.47Å
245R97.4Very high91.4Very high2 Ų241.2 Ų41.21%0.00824%0.243CC..BIsolated β-bridgetrans-128.2130-171.9-169.3173.560-165.3-8.8111.9S170 M171 H174 F253 K254 D256 L259 V261 Q262 G263S170-R245 WeakPolarHBondContact OG-CD 3.4Å; S170-R245 PolarHBondContact OG-NH1 3.29Å; M171-R245 HydrophobicContact SD-CB 3.82Å; M171-R245 HydrophobicContact SD-CG 4.16Å; H174-R245 HydrophobicContact CB-CG 4.05Å; R245-F253 HydrophobicContact CG-CD2 4.42Å; R245-F253 HydrophobicContact CG-CE2 4.33Å; R245-K254 PolarHBondContact NH2-O 3.3Å; R245-D256 IonicContact CZ-OD2 2.7Å; R245-D256 VanDerWaalsContact CZ-OD2 3.29Å; R245-D256 IonicContact NH1-OD2 3.38Å; R245-D256 PolarHBondContact NH1-OD2 3.44Å; R245-D256 IonicContact NH2-OD2 3.38Å; R245-D256 PolarHBondContact NH2-OD2 3.1Å; R245-L259 HydrophobicContact CB-CD1 4.07Å; R245-V261 PolarHBondContact N-O 3.43Å; R245-Q262 WeakPolarHBondContact O-CA 3.41Å; R245-G263 PolarHBondContact O-N 3.23Å
246L97.1Very high91.1Very high21 Ų2141.6 Ų41.611%0.1125%0.245CC..PPolyproline II helixtrans-72.5153.2169.8-64.2176000110.6H174 V176 N226 V229 R230H174-L246 PolarHBondContact O-N 3.32Å; V176-L246 HydrophobicContact CG2-CD2 3.96Å; V176-L246 HydrophobicContact CG2-CG 3.97Å; N226-L246 HydrophobicContact CB-CD2 4.32Å; N226-L246 WeakPolarHBondContact OD1-CA 3.5Å; N226-L246 WeakPolarHBondContact OD1-CB 3.35Å; V229-L246 HydrophobicContact CB-CD2 4.29Å; V229-L246 HydrophobicContact CG1-CD2 3.77Å; R230-L246 HydrophobicContact CG-CD2 4.05Å
247C94.1Very high90.8Very high4 Ų442.2 Ų42.23%0.02725%0.249CC..PPolyproline II helixtrans-73.2148.2171.873.50000110.9P222 V225 N226 G263 L265P222-C247 WeakPolarHBondContact CA-SG 3.28Å; P222-C247 VanDerWaalsContact CB-SG 3.59Å; P222-C247 PolarHBondContact O-SG 3.46Å; V225-C247 HydrophobicContact CG1-CB 3.84Å; N226-C247 PolarHBondContact ND2-O 2.86Å; N226-C247 VanDerWaalsContact ND2-O 3.15Å; N226-C247 PolarHBondContact ND2-SG 3.01Å; N226-C247 PolarHBondContact OD1-N 3.3Å; N226-C247 PolarHBondContact OD1-SG 2.81Å; C247-G263 WeakPolarHBondContact CA-O 3.31Å; C247-G263 VanDerWaalsContact CB-O 3.32Å; C247-G263 WeakPolarHBondContact CB-O 3.39Å; C247-L265 HydrophobicContact CB-CD2 4.46Å; C247-L265 HydrophobicContact CB-CG 4.38Å
248R89.8Confident90.5Very high41 Ų4139.9 Ų39.916%0.15524%0.238CC..PPolyproline II helixtrans-92134173.9173.6168.659.71725.2109.8E20 S251 F253 L265E20-R248 IonicContact OE2-CZ 2.94Å; E20-R248 IonicContact OE2-NH1 3.48Å; E20-R248 PolarHBondContact OE2-NH1 3.2Å; E20-R248 IonicContact OE2-NH2 3.65Å; E20-R248 PolarHBondContact OE2-NH2 3.38Å; E20-R248 VanDerWaalsContact OE2-NH2 3.14Å; R248-S251 WeakPolarHBondContact CB-O 3.4Å; R248-S251 PolarHBondContact NE-O 3.13Å; R248-S251 PolarHBondContact NE-OG 3.07Å; R248-S251 PolarHBondContact NH2-OG 3.12Å; R248-S251 VanDerWaalsContact O-O 3.13Å; R248-F253 HydrophobicContact CB-CD2 4.23Å; R248-F253 HydrophobicContact CB-CE2 3.56Å; R248-F253 HydrophobicContact CB-CZ 3.8Å; R248-F253 VanDerWaalsContact CZ-CE1 3.48Å; R248-L265 WeakPolarHBondContact O-CD1 3.45Å
249A83.4Confident90.5Very high75 Ų7537.3 Ų37.362%0.6222%0.221SC*.SBendtrans-71.5-30.5-174.800000114P222P222-A249 HydrophobicContact CB-CB 4.23Å; P222-A249 HydrophobicContact CG-CB 4.02Å
250S73.5Confident90.7Very high108 Ų10835.9 Ų35.976%0.75520%0.204SC*.SBendtrans-91.5-17.8-172.351.90000114.8
251S74.5Confident90.8Very high43 Ų4334.7 Ų34.730%0.30120%0.198SC..SBendtrans-164.8157.8178.955.90000111.2R248R248-S251 WeakPolarHBondContact CB-O 3.4Å; R248-S251 PolarHBondContact NE-O 3.13Å; R248-S251 PolarHBondContact NE-OG 3.07Å; R248-S251 PolarHBondContact NH2-OG 3.12Å; R248-S251 VanDerWaalsContact O-O 3.13Å
252S77.8Confident90.8Very high53 Ų5333.1 Ų33.137%0.37119%0.193SC..PPolyproline II helixtrans-83.2137.3177.9-168.20000111.5L265S252-L265 PolarHBondContact OG-N 3.35Å; S252-L265 PolarHBondContact OG-O 3.01Å; S252-L265 VanDerWaalsContact OG-O 3.12Å
253F88.6Confident90.9Very high21 Ų2129.9 Ų29.99%0.09218%0.179CC..PPolyproline II helixtrans-71.4163.4158.8-64.7-59.1000110.3H174 R245 R248 L264H174-F253 HydrophobicContact CB-CE2 4.09Å; H174-F253 HydrophobicContact CB-CZ 4.32Å; H174-F253 AromaticContact CG-CE2 3.89Å; H174-F253 AromaticContact CG-CZ 3.84Å; H174-F253 AromaticContact ND1-CZ 3.67Å; R245-F253 HydrophobicContact CG-CD2 4.42Å; R245-F253 HydrophobicContact CG-CE2 4.33Å; R248-F253 HydrophobicContact CB-CD2 4.23Å; R248-F253 HydrophobicContact CB-CE2 3.56Å; R248-F253 HydrophobicContact CB-CZ 3.8Å; R248-F253 VanDerWaalsContact CZ-CE1 3.48Å; F253-L264 HydrophobicContact CB-CD2 3.86Å
254K88.6Confident90.8Very high156 Ų15629.5 Ų29.568%0.67818%0.176SC*.PPolyproline II helixtrans-85.3160.3165-64.8176.8-175.51670109R245 D256R245-K254 PolarHBondContact NH2-O 3.3Å; K254-D256 PolarHBondContact O-N 3.31Å
255Y91.8Very high90.6Very high5 Ų530.4 Ų30.42%0.0218%0.181CC..PPolyproline II helixtrans-62.2133168.2175.4-93000109.5V216 L274 P275 Q278 V279V216-Y255 HydrophobicContact CG2-CD2 3.55Å; V216-Y255 HydrophobicContact CG2-CE2 3.4Å; V216-Y255 VanDerWaalsContact CG2-CE2 3.4Å; Y255-L274 HydrophobicContact CD2-CD1 3.71Å; Y255-L274 HydrophobicContact CE2-CD1 4.37Å; Y255-L274 HydrophobicContact CG-CD1 3.95Å; Y255-P275 HydrophobicContact CD1-CG 4.08Å; Y255-P275 HydrophobicContact CG-CG 4.29Å; Y255-Q278 HydrophobicContact CD1-CB 3.82Å; Y255-Q278 HydrophobicContact CE1-CB 4Å; Y255-Q278 PolarHBondContact O-OE1 2.66Å; Y255-V279 HydrophobicContact CD1-CG2 4.21Å; Y255-V279 HydrophobicContact CE1-CB 4.44Å; Y255-V279 HydrophobicContact CE1-CG2 3.85Å; Y255-V279 HydrophobicContact CE2-CG2 4.29Å
256D92.1Very high90.4Very high14 Ų1431.8 Ų31.88%0.07519%0.187CC..  trans-116.7128174.7-79.9-69.2000111R135 L167 R245 K254 L259 Q262R135-D256 IonicContact NH1-OD1 2.68Å; R135-D256 PolarHBondContact NH1-OD1 3.42Å; R135-D256 VanDerWaalsContact NH1-OD1 3.11Å; L167-D256 HydrophobicContact CD1-CB 3.86Å; R245-D256 IonicContact CZ-OD2 2.7Å; R245-D256 VanDerWaalsContact CZ-OD2 3.29Å; R245-D256 IonicContact NH1-OD2 3.38Å; R245-D256 PolarHBondContact NH1-OD2 3.44Å; R245-D256 IonicContact NH2-OD2 3.38Å; R245-D256 PolarHBondContact NH2-OD2 3.1Å; K254-D256 PolarHBondContact O-N 3.31Å; D256-L259 HydrophobicContact CB-CD1 4.04Å; D256-L259 HydrophobicContact CB-CG 4.34Å; D256-Q262 PolarHBondContact O-NE2 2.82Å
257T91.1Very high89.9Confident20 Ų2034.2 Ų34.212%0.12320%0.2CC..THydrogen-bonded Turntrans-67.2133177-49.30000110.7Q278 Y281 A282T257-Q278 WeakPolarHBondContact CG2-O 3.34Å; T257-Q278 PolarHBondContact OG1-O 3.26Å; T257-Y281 WeakPolarHBondContact CG2-O 3.5Å; T257-A282 VanDerWaalsContact CG2-CA 3.41Å; T257-A282 HydrophobicContact CG2-CB 4.09Å; T257-A282 VanDerWaalsContact CG2-N 3.31Å
258G89.3Confident89.4Confident18 Ų1840.3 Ų40.319%0.18624%0.242CC..THydrogen-bonded Turntrans96-1.717300000116
259L95.8Very high89.2Confident6 Ų643.6 Ų43.63%0.03127%0.267CS..  trans-82.9147.3166.8-58.8-178.5000110.8L128 L167 M171 C243 R245 D256 Q262L128-L259 HydrophobicContact CD2-CD2 3.95Å; L167-L259 HydrophobicContact CD1-CD1 3.95Å; L167-L259 HydrophobicContact CD1-CD2 4.21Å; L167-L259 HydrophobicContact CD1-CG 4.28Å; M171-L259 HydrophobicContact CE-CD2 4.17Å; M171-L259 HydrophobicContact CG-CD2 4.5Å; M171-L259 HydrophobicContact SD-CD1 3.89Å; M171-L259 HydrophobicContact SD-CD2 3.76Å; C243-L259 CarbonylContact O-C 3.57Å; C243-L259 WeakPolarHBondContact O-CA 3.24Å; C243-L259 VanDerWaalsContact O-CB 3.31Å; C243-L259 WeakPolarHBondContact O-CB 3.39Å; C243-L259 WeakPolarHBondContact O-CD2 3.42Å; R245-L259 HydrophobicContact CB-CD1 4.07Å; D256-L259 HydrophobicContact CB-CD1 4.04Å; D256-L259 HydrophobicContact CB-CG 4.34Å; L259-Q262 HydrophobicContact CB-CG 3.59Å; L259-Q262 HydrophobicContact CD1-CG 3.68Å; L259-Q262 HydrophobicContact CG-CG 4.26Å
260F97.4Very high89.2Confident30 Ų3042 Ų4213%0.13226%0.258CS..SBendtrans-74.6-67.3177.6-77.5-92.1000110.6C214 S215 L236 E240 C243 S244C214-F260 CarbonylContact C-O 3.48Å; C214-F260 WeakPolarHBondContact CA-O 3.26Å; S215-F260 PolarHBondContact N-O 3.1Å; L236-F260 HydrophobicContact CD1-CB 3.82Å; L236-F260 HydrophobicContact CD1-CG 4.47Å; L236-F260 HydrophobicContact CD2-CD1 4.36Å; E240-F260 HydrophobicContact CB-CD1 4.44Å; E240-F260 HydrophobicContact CB-CD2 4.01Å; E240-F260 HydrophobicContact CB-CE2 4.06Å; E240-F260 HydrophobicContact CB-CG 4.19Å; E240-F260 HydrophobicContact CB-CZ 4.32Å; E240-F260 HydrophobicContact CG-CD1 4.46Å; E240-F260 HydrophobicContact CG-CD2 4.25Å; E240-F260 HydrophobicContact CG-CE1 4.04Å; E240-F260 HydrophobicContact CG-CE2 3.79Å; E240-F260 HydrophobicContact CG-CZ 3.68Å; C243-F260 HydrophobicContact CB-CD2 3.62Å; C243-F260 HydrophobicContact CB-CE2 4.1Å; C243-F260 PolarHBondContact O-N 2.81Å; S244-F260 WeakPolarHBondContact OG-CB 3.21Å
261V98.3Very high89.5Confident0 Ų039 Ų390%024%0.237CC..EExtended strand (participates in β ladder)trans-116.2132.3178.1-174.30000110.6H208 S215 V217 V229 L232 L236 S244 R245H208-V261 VanDerWaalsContact CE1-CG2 3.5Å; H208-V261 WeakPolarHBondContact CE1-CG2 3.47Å; S215-V261 VanDerWaalsContact O-CA 3.31Å; S215-V261 WeakPolarHBondContact O-CA 3.04Å; V217-V261 HydrophobicContact CG2-CG1 4.38Å; V229-V261 HydrophobicContact CB-CG1 4.2Å; V229-V261 HydrophobicContact CG1-CG1 3.8Å; V229-V261 HydrophobicContact CG2-CG1 4.09Å; L232-V261 HydrophobicContact CB-CG1 4.49Å; L232-V261 HydrophobicContact CB-CG2 4.31Å; L232-V261 HydrophobicContact CD1-CG1 4.41Å; L236-V261 HydrophobicContact CD1-CG2 3.83Å; S244-V261 CarbonylContact C-O 3.53Å; S244-V261 WeakPolarHBondContact CA-O 3.47Å; S244-V261 VanDerWaalsContact CB-O 3.28Å; S244-V261 WeakPolarHBondContact CB-O 3.31Å; S244-V261 PolarHBondContact OG-N 3.47Å; R245-V261 PolarHBondContact N-O 3.43Å
262Q96.9Very high89.9Confident2 Ų239.3 Ų39.31%0.00923%0.233CC..EExtended strand (participates in β ladder)trans-130.4126.6179-61.2178.765.200111.3S215 V217 R245 D256 L259S215-Q262 PolarHBondContact O-N 2.89Å; V217-Q262 PolarHBondContact N-O 3.1Å; R245-Q262 WeakPolarHBondContact O-CA 3.41Å; D256-Q262 PolarHBondContact O-NE2 2.82Å; L259-Q262 HydrophobicContact CB-CG 3.59Å; L259-Q262 HydrophobicContact CD1-CG 3.68Å; L259-Q262 HydrophobicContact CG-CG 4.26Å
263G96.9Very high89.9Confident0 Ų042.5 Ų42.50%025%0.25CS..EExtended strand (participates in β ladder)trans-88.9123.3167.200000111.1V217 R245 C247V217-G263 WeakPolarHBondContact O-CA 3.37Å; R245-G263 PolarHBondContact O-N 3.23Å; C247-G263 WeakPolarHBondContact CA-O 3.31Å; C247-G263 VanDerWaalsContact CB-O 3.32Å; C247-G263 WeakPolarHBondContact CB-O 3.39Å
264L95Very high89.7Confident0 Ų043.2 Ų43.20%026%0.255CS..EExtended strand (participates in β ladder)trans-127144.9178.9-57.7177.4000109.8V216 V217 V218 G219 F253 F272V216-L264 HydrophobicContact CG1-CD1 3.78Å; V216-L264 HydrophobicContact CG1-CG 4.36Å; V217-L264 PolarHBondContact O-N 2.98Å; V218-L264 WeakPolarHBondContact CA-O 3.4Å; V218-L264 HydrophobicContact CG1-CB 4.14Å; G219-L264 PolarHBondContact N-O 3.17Å; F253-L264 HydrophobicContact CB-CD2 3.86Å; L264-F272 HydrophobicContact CB-CE2 3.88Å; L264-F272 HydrophobicContact CB-CZ 4.27Å; L264-F272 HydrophobicContact CD1-CE1 4.37Å; L264-F272 HydrophobicContact CD1-CE2 3.69Å; L264-F272 HydrophobicContact CD1-CZ 3.35Å; L264-F272 HydrophobicContact CG-CE2 4.39Å; L264-F272 HydrophobicContact CG-CZ 4.44Å
265L94.3Very high89.5Confident19 Ų1937.7 Ų37.710%0.09924%0.235CC..EExtended strand (participates in β ladder)trans-97.2144.3178.1-68.3-176.5000110.4G219 P222 V225 C247 R248 S252G219-L265 WeakPolarHBondContact O-CA 3.39Å; G219-L265 WeakPolarHBondContact O-CD2 3.48Å; P222-L265 HydrophobicContact CB-CD1 4.4Å; P222-L265 HydrophobicContact CB-CD2 4.14Å; V225-L265 HydrophobicContact CG2-CD2 4.36Å; C247-L265 HydrophobicContact CB-CD2 4.46Å; C247-L265 HydrophobicContact CB-CG 4.38Å; R248-L265 WeakPolarHBondContact O-CD1 3.45Å; S252-L265 PolarHBondContact OG-N 3.35Å; S252-L265 PolarHBondContact OG-O 3.01Å; S252-L265 VanDerWaalsContact OG-O 3.12Å
266K91.9Very high89.1Confident31 Ų3138.8 Ų38.814%0.13524%0.24CC..  trans-67.6152.5167.2-68.8175.1-178.7173.30110G219 G270 S271 F272 D290 D292G219-K266 PolarHBondContact O-N 3.06Å; K266-G270 WeakPolarHBondContact CD-O 3.42Å; K266-S271 WeakPolarHBondContact CA-O 3.39Å; K266-F272 HydrophobicContact CG-CB 4.13Å; K266-D290 WeakPolarHBondContact CE-OD2 3.47Å; K266-D290 IonicContact NZ-OD1 3.93Å; K266-D290 PolarHBondContact NZ-OD1 3.18Å; K266-D290 IonicContact NZ-OD2 3.14Å; K266-D290 PolarHBondContact NZ-OD2 2.77Å; K266-D292 VanDerWaalsContact CD-OD2 3.29Å; K266-D292 WeakPolarHBondContact CD-OD2 3.08Å; K266-D292 WeakPolarHBondContact CE-OD2 3.18Å; K266-D292 IonicContact NZ-OD2 3.14Å; K266-D292 PolarHBondContact NZ-OD2 3.45Å
267D87.3Confident88.8Confident72 Ų7239.4 Ų39.439%0.38524%0.241SC..  trans-69.6175.5173.267.526.2000111.6T269 G270 S271D267-T269 VanDerWaalsContact CG-OG1 3.26Å; D267-T269 PolarHBondContact O-N 3.46Å; D267-T269 VanDerWaalsContact O-N 3.07Å; D267-T269 VanDerWaalsContact OD1-CA 3.25Å; D267-T269 WeakPolarHBondContact OD1-CA 3.33Å; D267-T269 WeakPolarHBondContact OD1-CB 3.3Å; D267-T269 PolarHBondContact OD1-N 3.18Å; D267-T269 PolarHBondContact OD1-OG1 3.29Å; D267-T269 PolarHBondContact OD2-OG1 2.76Å; D267-G270 PolarHBondContact O-N 2.97Å; D267-G270 PolarHBondContact OD1-N 3.3Å; D267-G270 VanDerWaalsContact OD1-N 3.11Å; D267-S271 PolarHBondContact N-O 2.91Å; D267-S271 PolarHBondContact OD1-N 3.35Å; D267-S271 PolarHBondContact OD2-OG 3.41Å
268S84.4Confident88.5Confident132 Ų13240.9 Ų40.992%0.92325%0.247SC*.THydrogen-bonded Turntrans-61.8-15.5178.355.10000114.2G270S268-G270 VanDerWaalsContact C-N 3.32Å
269T85.2Confident88.6Confident110 Ų11040 Ų4068%0.67524%0.238SC*.THydrogen-bonded Turntrans-89.3-0.9175.172.50000112.5D267 S271D267-T269 VanDerWaalsContact CG-OG1 3.26Å; D267-T269 PolarHBondContact O-N 3.46Å; D267-T269 VanDerWaalsContact O-N 3.07Å; D267-T269 VanDerWaalsContact OD1-CA 3.25Å; D267-T269 WeakPolarHBondContact OD1-CA 3.33Å; D267-T269 WeakPolarHBondContact OD1-CB 3.3Å; D267-T269 PolarHBondContact OD1-N 3.18Å; D267-T269 PolarHBondContact OD1-OG1 3.29Å; D267-T269 PolarHBondContact OD2-OG1 2.76Å; T269-S271 WeakPolarHBondContact OG1-CB 3.48Å; T269-S271 PolarHBondContact OG1-OG 2.94Å
270G82.3Confident88.3Confident41 Ų4140.1 Ų40.142%0.42324%0.238SC..SBendtrans74.617.2-174.100000112.8K266 D267 S268K266-G270 WeakPolarHBondContact CD-O 3.42Å; D267-G270 PolarHBondContact O-N 2.97Å; D267-G270 PolarHBondContact OD1-N 3.3Å; D267-G270 VanDerWaalsContact OD1-N 3.11Å; S268-G270 VanDerWaalsContact C-N 3.32Å
271S81.2Confident87.9Confident46 Ų4640.1 Ų40.132%0.32224%0.237SC..  trans-104.1155.9-179.3105.40000111.1K266 D267 T269K266-S271 WeakPolarHBondContact CA-O 3.39Å; D267-S271 PolarHBondContact N-O 2.91Å; D267-S271 PolarHBondContact OD1-N 3.35Å; D267-S271 PolarHBondContact OD2-OG 3.41Å; T269-S271 WeakPolarHBondContact OG1-CB 3.48Å; T269-S271 PolarHBondContact OG1-OG 2.94Å
272F81.6Confident87.6Confident50 Ų5040.2 Ų40.222%0.21924%0.239CC..  trans-143.8126.5171.5174.2-98000108.7V218 L264 K266 L274V218-F272 HydrophobicContact CG1-CD1 3.64Å; V218-F272 HydrophobicContact CG1-CD2 4.24Å; V218-F272 HydrophobicContact CG1-CE1 3.78Å; V218-F272 HydrophobicContact CG1-CE2 4.38Å; V218-F272 HydrophobicContact CG1-CG 3.89Å; V218-F272 HydrophobicContact CG1-CZ 4.18Å; L264-F272 HydrophobicContact CB-CE2 3.88Å; L264-F272 HydrophobicContact CB-CZ 4.27Å; L264-F272 HydrophobicContact CD1-CE1 4.37Å; L264-F272 HydrophobicContact CD1-CE2 3.69Å; L264-F272 HydrophobicContact CD1-CZ 3.35Å; L264-F272 HydrophobicContact CG-CE2 4.39Å; L264-F272 HydrophobicContact CG-CZ 4.44Å; K266-F272 HydrophobicContact CG-CB 4.13Å; F272-L274 HydrophobicContact CD1-CB 4.32Å; F272-L274 HydrophobicContact CE1-CB 3.71Å; F272-L274 HydrophobicContact CE1-CD1 3.57Å; F272-L274 HydrophobicContact CE1-CG 4.19Å; F272-L274 HydrophobicContact CZ-CD1 3.9Å
273V79.2Confident87.3Confident120 Ų12041.9 Ų41.973%0.72725%0.249SC*.  trans-102108.7178.7-177.90000108.5P275V273-P275 WeakPolarHBondContact O-CD 3.42Å
274L83Confident87.2Confident36 Ų3644 Ų4419%0.18826%0.258CS..  trans-83.1121.5174.4-167.370.6000109.6V216 Y255 F272 F276 V279 F348V216-L274 HydrophobicContact CG1-CD1 4.49Å; Y255-L274 HydrophobicContact CD2-CD1 3.71Å; Y255-L274 HydrophobicContact CE2-CD1 4.37Å; Y255-L274 HydrophobicContact CG-CD1 3.95Å; F272-L274 HydrophobicContact CD1-CB 4.32Å; F272-L274 HydrophobicContact CE1-CB 3.71Å; F272-L274 HydrophobicContact CE1-CD1 3.57Å; F272-L274 HydrophobicContact CE1-CG 4.19Å; F272-L274 HydrophobicContact CZ-CD1 3.9Å; L274-F276 PolarHBondContact O-N 2.88Å; L274-V279 HydrophobicContact CD1-CG2 3.96Å; L274-V279 HydrophobicContact CD2-CG2 3.65Å; L274-V279 HydrophobicContact CG-CG2 3.55Å; L274-F348 HydrophobicContact CD2-CD2 4.22Å; L274-F348 HydrophobicContact CD2-CE2 3.24Å; L274-F348 HydrophobicContact CD2-CZ 3.45Å; L274-F348 VanDerWaalsContact CD2-CZ 3.45Å
275P85.1Confident87.2Confident40 Ų4044 Ų4426%0.2626%0.258SS..  trans-72.4100.2-176.926-31.2000111.1Y255 V273 R277 Q278 V279Y255-P275 HydrophobicContact CD1-CG 4.08Å; Y255-P275 HydrophobicContact CG-CG 4.29Å; V273-P275 WeakPolarHBondContact O-CD 3.42Å; P275-R277 VanDerWaalsContact C-N 3.28Å; P275-R277 PolarHBondContact O-N 3.44Å; P275-R277 VanDerWaalsContact O-N 3.15Å; P275-Q278 HydrophobicContact CB-CB 4.18Å; P275-Q278 HydrophobicContact CB-CG 4.19Å; P275-Q278 HydrophobicContact CG-CB 4.01Å; P275-Q278 HydrophobicContact CG-CG 4.28Å; P275-Q278 PolarHBondContact O-N 3.12Å; P275-V279 WeakPolarHBondContact O-CG2 3.41Å; P275-V279 PolarHBondContact O-N 2.97Å; P275-V279 VanDerWaalsContact O-N 3.11Å
276F83.7Confident87.2Confident27 Ų2743.3 Ų43.312%0.11825%0.254CS..Hα-helixtrans-43.7-50.2-178.3179.3-98000113.8L274 Q278 V279 L280 Y312 I335 P343 D344 L345 I347L274-F276 PolarHBondContact O-N 2.88Å; F276-Q278 PolarHBondContact O-N 2.65Å; F276-V279 PolarHBondContact O-N 3.44Å; F276-L280 HydrophobicContact CD1-CD1 4.03Å; F276-L280 HydrophobicContact CE1-CD1 3.28Å; F276-L280 HydrophobicContact CE1-CG 4.13Å; F276-L280 HydrophobicContact CE2-CD1 4.32Å; F276-L280 HydrophobicContact CZ-CD1 3.45Å; F276-L280 VanDerWaalsContact CZ-CD1 3.45Å; F276-L280 HydrophobicContact CZ-CG 4.1Å; F276-L280 PolarHBondContact O-N 3.01Å; F276-Y312 HydrophobicContact CE1-CD2 4.48Å; F276-Y312 HydrophobicContact CE1-CE2 4.12Å; F276-I335 HydrophobicContact CB-CD1 4.17Å; F276-I335 HydrophobicContact CD1-CD1 3.98Å; F276-I335 HydrophobicContact CD1-CG1 4.3Å; F276-I335 HydrophobicContact CD1-CG2 4.17Å; F276-I335 HydrophobicContact CE1-CG2 4.12Å; F276-I335 HydrophobicContact CG-CD1 4.13Å; F276-P343 HydrophobicContact CE1-CB 3.9Å; F276-P343 HydrophobicContact CE1-CG 4.3Å; F276-P343 HydrophobicContact CZ-CB 3.82Å; F276-D344 VanDerWaalsContact CE2-O 3.3Å; F276-D344 WeakPolarHBondContact CE2-O 3.34Å; F276-D344 WeakPolarHBondContact CZ-O 3.32Å; F276-L345 HydrophobicContact CD2-CD2 4.37Å; F276-L345 HydrophobicContact CE1-CD2 4.28Å; F276-L345 HydrophobicContact CE2-CD2 4.13Å; F276-L345 HydrophobicContact CZ-CD2 4.09Å; F276-I347 HydrophobicContact CD2-CD1 3.67Å; F276-I347 HydrophobicContact CD2-CG1 3.98Å; F276-I347 HydrophobicContact CD2-CG2 4.45Å; F276-I347 HydrophobicContact CE2-CB 4.32Å; F276-I347 HydrophobicContact CE2-CD1 3.87Å; F276-I347 HydrophobicContact CE2-CG1 3.87Å; F276-I347 HydrophobicContact CE2-CG2 3.54Å; F276-I347 HydrophobicContact CZ-CG2 4.17Å
277R84.3Confident87.5Confident27 Ų2741.8 Ų41.810%0.10225%0.248CC..Hα-helixtrans-58.6-46.6-179.1177.7173.2179.2-141.70.5112.6P275 L280 Y281 Y312 E316 E332P275-R277 VanDerWaalsContact C-N 3.28Å; P275-R277 PolarHBondContact O-N 3.44Å; P275-R277 VanDerWaalsContact O-N 3.15Å; R277-L280 PolarHBondContact O-N 3.36Å; R277-Y281 HydrophobicContact CG-CD2 4.19Å; R277-Y281 HydrophobicContact CG-CE1 4.42Å; R277-Y281 HydrophobicContact CG-CE2 3.41Å; R277-Y281 VanDerWaalsContact CG-CE2 3.41Å; R277-Y281 WeakPolarHBondContact CG-OH 3.39Å; R277-Y281 PolarHBondContact NE-OH 3.11Å; R277-Y281 PolarHBondContact NH2-OH 2.87Å; R277-Y281 WeakPolarHBondContact O-CD2 3.43Å; R277-Y281 VanDerWaalsContact O-CG 3.27Å; R277-Y281 PolarHBondContact O-N 2.67Å; R277-Y281 VanDerWaalsContact O-N 3.15Å; R277-Y312 HydrophobicContact CG-CE1 4Å; R277-E316 IonicContact CZ-OE1 3.68Å; R277-E316 IonicContact NE-OE1 3.68Å; R277-E316 PolarHBondContact NE-OE1 3.02Å; R277-E316 IonicContact NH2-OE1 2.83Å; R277-E316 PolarHBondContact NH2-OE1 2.92Å; R277-E316 IonicContact NH2-OE2 3.11Å; R277-E332 IonicContact CZ-OE1 2.92Å; R277-E332 IonicContact NH1-OE1 2.74Å; R277-E332 PolarHBondContact NH1-OE1 2.85Å; R277-E332 IonicContact NH1-OE2 3.92Å; R277-E332 IonicContact NH2-OE1 2.66Å
278Q86.3Confident87.9Confident52 Ų5239.9 Ų39.924%0.24324%0.236CC..Hα-helixtrans-70.5-34.1-177.9-67.4177.8-4.200112Y255 T257 P275 F276 Y281 A282Y255-Q278 HydrophobicContact CD1-CB 3.82Å; Y255-Q278 HydrophobicContact CE1-CB 4Å; Y255-Q278 PolarHBondContact O-OE1 2.66Å; T257-Q278 WeakPolarHBondContact CG2-O 3.34Å; T257-Q278 PolarHBondContact OG1-O 3.26Å; P275-Q278 HydrophobicContact CB-CB 4.18Å; P275-Q278 HydrophobicContact CB-CG 4.19Å; P275-Q278 HydrophobicContact CG-CB 4.01Å; P275-Q278 HydrophobicContact CG-CG 4.28Å; P275-Q278 PolarHBondContact O-N 3.12Å; F276-Q278 PolarHBondContact O-N 2.65Å; Q278-Y281 PolarHBondContact O-N 3.46Å; Q278-A282 PolarHBondContact O-N 3.32Å
279V90.3Very high88.5Confident0 Ų033.6 Ų33.60%019%0.192CC..Hα-helixtrans-65.1-43.6174.5175.40000110.8Y255 L274 P275 F276 Y281 A282 M299 I347 F348Y255-V279 HydrophobicContact CD1-CG2 4.21Å; Y255-V279 HydrophobicContact CE1-CB 4.44Å; Y255-V279 HydrophobicContact CE1-CG2 3.85Å; Y255-V279 HydrophobicContact CE2-CG2 4.29Å; L274-V279 HydrophobicContact CD1-CG2 3.96Å; L274-V279 HydrophobicContact CD2-CG2 3.65Å; L274-V279 HydrophobicContact CG-CG2 3.55Å; P275-V279 WeakPolarHBondContact O-CG2 3.41Å; P275-V279 PolarHBondContact O-N 2.97Å; P275-V279 VanDerWaalsContact O-N 3.11Å; F276-V279 PolarHBondContact O-N 3.44Å; V279-Y281 VanDerWaalsContact C-N 3.25Å; V279-Y281 PolarHBondContact O-N 3.45Å; V279-A282 VanDerWaalsContact O-CB 3.26Å; V279-A282 WeakPolarHBondContact O-CB 3.48Å; V279-A282 PolarHBondContact O-N 3.26Å; V279-A282 VanDerWaalsContact O-N 3.12Å; V279-M299 HydrophobicContact CG1-CE 3.93Å; V279-M299 HydrophobicContact CG1-SD 3.37Å; V279-M299 WeakPolarHBondContact CG1-SD 3.43Å; V279-I347 HydrophobicContact CB-CD1 4.33Å; V279-I347 HydrophobicContact CG1-CD1 3.85Å; V279-F348 HydrophobicContact CG1-CE2 4.2Å; V279-F348 HydrophobicContact CG1-CZ 4.01Å
280L89.1Confident89Confident8 Ų829 Ų294%0.04216%0.163CC..Hα-helixtrans-63.5-31.4175.6-77-174.4000112.9F276 R277 A282 M299 Q309 Y312 I347F276-L280 HydrophobicContact CD1-CD1 4.03Å; F276-L280 HydrophobicContact CE1-CD1 3.28Å; F276-L280 HydrophobicContact CE1-CG 4.13Å; F276-L280 HydrophobicContact CE2-CD1 4.32Å; F276-L280 HydrophobicContact CZ-CD1 3.45Å; F276-L280 VanDerWaalsContact CZ-CD1 3.45Å; F276-L280 HydrophobicContact CZ-CG 4.1Å; F276-L280 PolarHBondContact O-N 3.01Å; R277-L280 PolarHBondContact O-N 3.36Å; L280-A282 PolarHBondContact O-N 2.89Å; L280-M299 HydrophobicContact CD2-CE 4.31Å; L280-Q309 WeakPolarHBondContact O-CB 3.27Å; L280-Q309 WeakPolarHBondContact O-CG 3.3Å; L280-Q309 PolarHBondContact O-NE2 2.85Å; L280-Y312 HydrophobicContact CD1-CD1 4.16Å; L280-Y312 HydrophobicContact CD1-CD2 3.83Å; L280-Y312 HydrophobicContact CD1-CE2 4.33Å; L280-Y312 HydrophobicContact CD1-CG 3.75Å; L280-I347 HydrophobicContact CD2-CG2 4.17Å
281Y90.1Very high89.6Confident29 Ų2927.5 Ų27.511%0.11415%0.146CC..THydrogen-bonded Turntrans-73.8-8.9175.9-63.5-23.4000114.5H138 T257 R277 Q278 V279 Q309 Y312 M313 E316H138-Y281 AromaticContact CD2-CE2 3.91Å; H138-Y281 AromaticContact CD2-CZ 3.98Å; H138-Y281 AromaticContact NE2-CE1 3.95Å; H138-Y281 AromaticContact NE2-CE2 3.84Å; H138-Y281 AromaticContact NE2-CZ 3.44Å; H138-Y281 PolarHBondContact NE2-OH 2.9Å; T257-Y281 WeakPolarHBondContact CG2-O 3.5Å; R277-Y281 HydrophobicContact CG-CD2 4.19Å; R277-Y281 HydrophobicContact CG-CE1 4.42Å; R277-Y281 HydrophobicContact CG-CE2 3.41Å; R277-Y281 VanDerWaalsContact CG-CE2 3.41Å; R277-Y281 WeakPolarHBondContact CG-OH 3.39Å; R277-Y281 PolarHBondContact NE-OH 3.11Å; R277-Y281 PolarHBondContact NH2-OH 2.87Å; R277-Y281 WeakPolarHBondContact O-CD2 3.43Å; R277-Y281 VanDerWaalsContact O-CG 3.27Å; R277-Y281 PolarHBondContact O-N 2.67Å; R277-Y281 VanDerWaalsContact O-N 3.15Å; Q278-Y281 PolarHBondContact O-N 3.46Å; V279-Y281 VanDerWaalsContact C-N 3.25Å; V279-Y281 PolarHBondContact O-N 3.45Å; Y281-Q309 PolarHBondContact O-NE2 2.69Å; Y281-Q309 VanDerWaalsContact O-NE2 3.08Å; Y281-Y312 AromaticContact CE1-CD1 3.84Å; Y281-Y312 HydrophobicContact CE1-CD1 3.84Å; Y281-Y312 AromaticContact CE1-CE1 3.94Å; Y281-Y312 HydrophobicContact CE1-CE1 3.94Å; Y281-M313 HydrophobicContact CD1-CE 3.48Å; Y281-M313 VanDerWaalsContact CD1-CE 3.48Å; Y281-M313 HydrophobicContact CD1-CG 3.88Å; Y281-M313 HydrophobicContact CE1-CE 4.18Å; Y281-M313 HydrophobicContact CE1-CG 3.64Å; Y281-M313 HydrophobicContact CG-CE 4.13Å; Y281-E316 PolarHBondContact OH-OE1 3.14Å; Y281-E316 PolarHBondContact OH-OE2 3.45Å
282A92.1Very high90.2Very high3 Ų328 Ų283%0.02515%0.146CC..SBendtrans-62.6141.5177.800000110.6T257 Q278 V279 L280 Y284 H305 Q309T257-A282 VanDerWaalsContact CG2-CA 3.41Å; T257-A282 HydrophobicContact CG2-CB 4.09Å; T257-A282 VanDerWaalsContact CG2-N 3.31Å; Q278-A282 PolarHBondContact O-N 3.32Å; V279-A282 VanDerWaalsContact O-CB 3.26Å; V279-A282 WeakPolarHBondContact O-CB 3.48Å; V279-A282 PolarHBondContact O-N 3.26Å; V279-A282 VanDerWaalsContact O-N 3.12Å; L280-A282 PolarHBondContact O-N 2.89Å; A282-Y284 WeakPolarHBondContact CB-O 3.46Å; A282-Y284 PolarHBondContact O-N 2.99Å; A282-H305 PolarHBondContact O-NE2 2.72Å; A282-Q309 PolarHBondContact O-NE2 2.8Å
283P91.1Very high90.7Very high36 Ų3630.8 Ų30.823%0.23416%0.162CC..SBendtrans-62.9-30.3178.923.3-33000112.3
284Y94.1Very high91.4Very high45 Ų4528.8 Ų28.818%0.17615%0.147CC..SBendtrans-121.5154.7-179.8-60.9-64.3000111.7C212 A282 E434C212-Y284 HydrophobicContact CB-CD1 3.77Å; C212-Y284 HydrophobicContact CB-CD2 4.46Å; C212-Y284 HydrophobicContact CB-CE1 4.39Å; C212-Y284 HydrophobicContact CB-CG 3.81Å; A282-Y284 WeakPolarHBondContact CB-O 3.46Å; A282-Y284 PolarHBondContact O-N 2.99Å; Y284-E434 HydrophobicContact CE1-CG 4.31Å
285P94.4Very high91.9Very high1 Ų129.4 Ų29.41%0.00615%0.152CC..  trans-60.8153.1171.626.9-35000110.7T211 C214 M299 P300 C302 H305T211-P285 WeakPolarHBondContact CB-O 3.31Å; T211-P285 HydrophobicContact CG2-CB 4.36Å; T211-P285 HydrophobicContact CG2-CG 4.42Å; C214-P285 VanDerWaalsContact CB-O 3.26Å; C214-P285 WeakPolarHBondContact CB-O 3.2Å; P285-M299 HydrophobicContact CB-CB 3.7Å; P285-P300 VanDerWaalsContact CB-O 3.28Å; P285-P300 WeakPolarHBondContact CB-O 3.3Å; P285-C302 HydrophobicContact CG-CB 4.42Å; P285-H305 HydrophobicContact CB-CB 4.13Å
286T95.7Very high92.5Very high3 Ų328 Ų282%0.01814%0.143CC..  trans-114.6139.8-176.8-62.80000110.9V216 M299 F348V216-T286 HydrophobicContact CB-CG2 4.29Å; V216-T286 HydrophobicContact CG2-CG2 3.75Å; T286-M299 PolarHBondContact N-SD 2.86Å; T286-M299 WeakPolarHBondContact O-CB 3.37Å; T286-M299 VanDerWaalsContact O-CG 3.29Å; T286-M299 WeakPolarHBondContact O-CG 3.33Å; T286-M299 PolarHBondContact O-N 3.04Å; T286-F348 WeakPolarHBondContact O-CE1 3.35Å
287T96.8Very high93Very high0 Ų030.9 Ų30.90%016%0.155CC..EExtended strand (participates in β ladder)trans-89131.2163.6-65.20000110.2S207 T211 C214 S215 V216 I289 V296 K297S207-T287 VanDerWaalsContact C-OG1 3.23Å; S207-T287 PolarHBondContact O-OG1 2.69Å; S207-T287 VanDerWaalsContact O-OG1 3.08Å; S207-T287 WeakPolarHBondContact OG-CG2 3.26Å; S207-T287 PolarHBondContact OG-OG1 2.94Å; T211-T287 VanDerWaalsContact CG2-OG1 3.3Å; T211-T287 WeakPolarHBondContact CG2-OG1 3.33Å; T211-T287 PolarHBondContact OG1-OG1 3.28Å; C214-T287 PolarHBondContact O-N 3.11Å; S215-T287 CarbonylContact C-O 3.12Å; S215-T287 VanDerWaalsContact CA-O 3.28Å; S215-T287 WeakPolarHBondContact CA-O 3.44Å; V216-T287 PolarHBondContact N-O 3.2Å; T287-I289 HydrophobicContact CG2-CD1 4.07Å; T287-I289 HydrophobicContact CG2-CG1 3.67Å; T287-V296 HydrophobicContact CG2-CG1 3.7Å; T287-K297 CarbonylContact C-O 3.53Å; T287-K297 WeakPolarHBondContact CG2-O 3.46Å
288H96.4Very high93.4Very high31 Ų3130.7 Ų30.714%0.14416%0.156CC..EExtended strand (participates in β ladder)trans-100.3116.9172.4175.2-83000110.4K297 F348H288-K297 HydrophobicContact CB-CB 4.45Å; H288-K297 PolarHBondContact N-O 2.83Å; H288-K297 PolarHBondContact O-N 2.98Å; H288-F348 HydrophobicContact CB-CD1 3.57Å; H288-F348 HydrophobicContact CB-CE1 3.48Å; H288-F348 VanDerWaalsContact CB-CE1 3.48Å; H288-F348 HydrophobicContact CB-CG 4.29Å; H288-F348 HydrophobicContact CB-CZ 4.17Å
289I96.9Very high93.7Very high0 Ų028.5 Ų28.50%015%0.145CC..EExtended strand (participates in β ladder)trans-117.5118.3-176.4-57.3172.3000108.4F200 A204 V216 V217 V218 L232 T287 V291 V296F200-I289 HydrophobicContact CE2-CG2 3.79Å; F200-I289 HydrophobicContact CZ-CG2 3.61Å; A204-I289 HydrophobicContact CB-CD1 4Å; V216-I289 PolarHBondContact O-N 3.32Å; V217-I289 CarbonylContact C-O 3.58Å; V217-I289 WeakPolarHBondContact CA-O 3.43Å; V217-I289 HydrophobicContact CG2-CB 4.48Å; V217-I289 HydrophobicContact CG2-CD1 4.45Å; V218-I289 WeakPolarHBondContact CG2-O 3.44Å; V218-I289 PolarHBondContact N-O 3.5Å; L232-I289 HydrophobicContact CD1-CD1 3.5Å; L232-I289 VanDerWaalsContact CD1-CD1 3.5Å; T287-I289 HydrophobicContact CG2-CD1 4.07Å; T287-I289 HydrophobicContact CG2-CG1 3.67Å; I289-V291 HydrophobicContact CG2-CG1 4.37Å; I289-V296 HydrophobicContact CG1-CG1 4.36Å; I289-V296 HydrophobicContact CG1-CG2 4.49Å; I289-V296 HydrophobicContact CG2-CG2 4.47Å
290D95.7Very high93.6Very high13 Ų1329.5 Ų29.57%0.0715%0.152CC..EExtended strand (participates in β ladder)trans-106.2113173.9-169.4-34.7000110.3V218 K266 D292 I293 N294 T295V218-D290 HydrophobicContact CG2-CB 3.87Å; V218-D290 WeakPolarHBondContact O-CA 3.5Å; K266-D290 WeakPolarHBondContact CE-OD2 3.47Å; K266-D290 IonicContact NZ-OD1 3.93Å; K266-D290 PolarHBondContact NZ-OD1 3.18Å; K266-D290 IonicContact NZ-OD2 3.14Å; K266-D290 PolarHBondContact NZ-OD2 2.77Å; D290-D292 PolarHBondContact OD1-N 2.64Å; D290-I293 HydrophobicContact CB-CD1 4.26Å; D290-I293 HydrophobicContact CB-CG1 3.77Å; D290-I293 VanDerWaalsContact CG-CG1 3.43Å; D290-I293 PolarHBondContact OD1-N 2.81Å; D290-N294 VanDerWaalsContact O-CA 3.27Å; D290-N294 WeakPolarHBondContact O-CA 3.48Å; D290-N294 PolarHBondContact O-N 2.94Å; D290-T295 PolarHBondContact N-O 3.15Å; D290-T295 PolarHBondContact O-N 3.33Å
291V95.4Very high93.6Very high11 Ų1131.4 Ų31.47%0.06716%0.164CC..THydrogen-bonded Turntrans-83.3-12.2-174.8-54.60000113.7F200 V217 V218 K224 V225 I228 I289 N294F200-V291 HydrophobicContact CZ-CG1 4.29Å; V217-V291 HydrophobicContact CG1-CG1 3.6Å; V218-V291 WeakPolarHBondContact O-CG2 3.15Å; V218-V291 PolarHBondContact O-N 2.65Å; K224-V291 HydrophobicContact CB-CG2 4.34Å; V225-V291 HydrophobicContact CG2-CG2 3.9Å; I228-V291 HydrophobicContact CB-CG1 4.25Å; I228-V291 HydrophobicContact CG1-CG1 3.81Å; I228-V291 HydrophobicContact CG2-CG1 4.43Å; I289-V291 HydrophobicContact CG2-CG1 4.37Å; V291-N294 PolarHBondContact O-OD1 3.04Å
292D92.6Very high93.6Very high57 Ų5730.1 Ų30.131%0.30516%0.16SC..THydrogen-bonded Turntrans-82.4-36.5177.8-61.4-31000111G219 S220 K266 D290G219-D292 WeakPolarHBondContact CA-OD2 3.4Å; S220-D292 WeakPolarHBondContact CB-OD2 3.14Å; S220-D292 PolarHBondContact N-OD1 3.34Å; S220-D292 VanDerWaalsContact N-OD1 3.08Å; S220-D292 PolarHBondContact N-OD2 2.78Å; S220-D292 PolarHBondContact OG-OD2 3.48Å; K266-D292 VanDerWaalsContact CD-OD2 3.29Å; K266-D292 WeakPolarHBondContact CD-OD2 3.08Å; K266-D292 WeakPolarHBondContact CE-OD2 3.18Å; K266-D292 IonicContact NZ-OD2 3.14Å; K266-D292 PolarHBondContact NZ-OD2 3.45Å; D290-D292 PolarHBondContact OD1-N 2.64Å
293I92.9Very high93.3Very high108 Ų10831.7 Ų31.755%0.55417%0.167SC*.THydrogen-bonded Turntrans-107.83-179.858.2168.6000113.2D290 T295D290-I293 HydrophobicContact CB-CD1 4.26Å; D290-I293 HydrophobicContact CB-CG1 3.77Å; D290-I293 VanDerWaalsContact CG-CG1 3.43Å; D290-I293 PolarHBondContact OD1-N 2.81Å; I293-T295 VanDerWaalsContact C-N 3.32Å; I293-T295 HydrophobicContact CB-CG2 4.3Å; I293-T295 HydrophobicContact CD1-CG2 3.6Å; I293-T295 WeakPolarHBondContact CD1-OG1 3.32Å; I293-T295 HydrophobicContact CG1-CG2 3.74Å; I293-T295 PolarHBondContact O-N 3.11Å
294N93.8Very high93.2Very high77 Ų7734.1 Ų34.141%0.41218%0.175SC..THydrogen-bonded Turntrans52.745-178.8-62.7-37.2000113.2F200 D290 V291F200-N294 HydrophobicContact CB-CB 4.21Å; F200-N294 VanDerWaalsContact CD2-C 3.43Å; F200-N294 HydrophobicContact CD2-CB 3.78Å; F200-N294 WeakPolarHBondContact CD2-O 3.33Å; F200-N294 HydrophobicContact CE2-CB 4.31Å; F200-N294 HydrophobicContact CG-CB 3.96Å; D290-N294 VanDerWaalsContact O-CA 3.27Å; D290-N294 WeakPolarHBondContact O-CA 3.48Å; D290-N294 PolarHBondContact O-N 2.94Å; V291-N294 PolarHBondContact O-OD1 3.04Å
295T94.4Very high93Very high49 Ų4932 Ų3230%0.30117%0.167SC..EExtended strand (participates in β ladder)trans-107.9144.1177.866.20000111.5D290 I293D290-T295 PolarHBondContact N-O 3.15Å; D290-T295 PolarHBondContact O-N 3.33Å; I293-T295 VanDerWaalsContact C-N 3.32Å; I293-T295 HydrophobicContact CB-CG2 4.3Å; I293-T295 HydrophobicContact CD1-CG2 3.6Å; I293-T295 WeakPolarHBondContact CD1-OG1 3.32Å; I293-T295 HydrophobicContact CG1-CG2 3.74Å; I293-T295 PolarHBondContact O-N 3.11Å
296V96.2Very high92.8Very high11 Ų1132.8 Ų32.87%0.06717%0.171CC..EExtended strand (participates in β ladder)trans-128.7119.7176.6-1780000107.3F200 K203 A204 T287 I289 V351F200-V296 HydrophobicContact CD2-CG2 3.87Å; F200-V296 HydrophobicContact CE2-CG2 3.8Å; K203-V296 HydrophobicContact CB-CB 4.13Å; K203-V296 HydrophobicContact CB-CG1 4.45Å; K203-V296 HydrophobicContact CB-CG2 4.03Å; A204-V296 HydrophobicContact CB-CG2 4.14Å; T287-V296 HydrophobicContact CG2-CG1 3.7Å; I289-V296 HydrophobicContact CG1-CG1 4.36Å; I289-V296 HydrophobicContact CG1-CG2 4.49Å; I289-V296 HydrophobicContact CG2-CG2 4.47Å; V296-V351 HydrophobicContact CB-CG2 4.32Å; V296-V351 HydrophobicContact CG1-CG2 3.81Å
297K94.9Very high92.4Very high88 Ų8836 Ų3638%0.38319%0.185SC..EExtended strand (participates in β ladder)trans-119.8149174-60.8-173176.1-174.70109.8T287 H288 F348 Q349T287-K297 CarbonylContact C-O 3.53Å; T287-K297 WeakPolarHBondContact CG2-O 3.46Å; H288-K297 HydrophobicContact CB-CB 4.45Å; H288-K297 PolarHBondContact N-O 2.83Å; H288-K297 PolarHBondContact O-N 2.98Å; K297-F348 HydrophobicContact CB-CB 3.9Å; K297-F348 HydrophobicContact CB-CD1 4.24Å; K297-F348 HydrophobicContact CB-CG 4.49Å; K297-F348 HydrophobicContact CD-CB 4.13Å; K297-Q349 CarbonylContact C-O 3.54Å; K297-Q349 VanDerWaalsContact CA-O 3.26Å; K297-Q349 WeakPolarHBondContact CA-O 3.41Å; K297-Q349 WeakPolarHBondContact CB-O 3.48Å
298Q93.1Very high91.9Very high23 Ų2338.8 Ų38.811%0.10720%0.2CC..EExtended strand (participates in β ladder)trans-127.2142.7-171.3-162-178.931.700110.4S207 T211 Q349 V351S207-Q298 WeakPolarHBondContact OG-CB 3.36Å; S207-Q298 VanDerWaalsContact OG-CG 3.23Å; S207-Q298 WeakPolarHBondContact OG-CG 3.41Å; S207-Q298 PolarHBondContact OG-NE2 3.42Å; T211-Q298 HydrophobicContact CG2-CG 3.4Å; T211-Q298 VanDerWaalsContact CG2-CG 3.4Å; Q298-Q349 PolarHBondContact N-O 3.49Å; Q298-Q349 PolarHBondContact O-N 3.16Å; Q298-V351 HydrophobicContact CB-CG2 4.39Å
299M92.4Very high91.6Very high5 Ų538.4 Ų38.43%0.02520%0.198CC..PPolyproline II helixtrans-76.2160.2165.8-78.1-175.477.600111.7V279 L280 P285 T286 H305 I347 F348V279-M299 HydrophobicContact CG1-CE 3.93Å; V279-M299 HydrophobicContact CG1-SD 3.37Å; V279-M299 WeakPolarHBondContact CG1-SD 3.43Å; L280-M299 HydrophobicContact CD2-CE 4.31Å; P285-M299 HydrophobicContact CB-CB 3.7Å; T286-M299 PolarHBondContact N-SD 2.86Å; T286-M299 WeakPolarHBondContact O-CB 3.37Å; T286-M299 VanDerWaalsContact O-CG 3.29Å; T286-M299 WeakPolarHBondContact O-CG 3.33Å; T286-M299 PolarHBondContact O-N 3.04Å; M299-H305 WeakPolarHBondContact CE-ND1 3.49Å; M299-I347 WeakPolarHBondContact CA-O 3.17Å; M299-I347 HydrophobicContact CE-CB 4.46Å; M299-I347 HydrophobicContact CE-CD1 4.41Å; M299-F348 HydrophobicContact CG-CD1 4.05Å; M299-F348 HydrophobicContact CG-CE1 3.67Å; M299-F348 HydrophobicContact CG-CE2 4.48Å; M299-F348 HydrophobicContact CG-CZ 3.91Å; M299-F348 HydrophobicContact SD-CE1 4.34Å; M299-F348 HydrophobicContact SD-CZ 4.07Å
300P88.5Confident91.1Very high22 Ų2242.3 Ų42.314%0.14321%0.213CC..PPolyproline II helixtrans-60.2161.9176.626.5-36.6000112.2P285 E304 I347P285-P300 VanDerWaalsContact CB-O 3.28Å; P285-P300 WeakPolarHBondContact CB-O 3.3Å; P300-E304 HydrophobicContact CB-CB 4.04Å; P300-E304 HydrophobicContact CG-CB 4.49Å; P300-I347 WeakPolarHBondContact CD-O 3.49Å
301P87.6Confident90.7Very high47 Ų4746.8 Ų46.831%0.30523%0.229SC..PPolyproline II helixtrans-56.1158.1-179-24.834.3000113.5H303 E304 H305P301-H303 PolarHBondContact O-N 3.05Å; P301-H303 VanDerWaalsContact O-N 3.15Å; P301-E304 PolarHBondContact O-N 3Å; P301-H305 PolarHBondContact O-N 3.46Å
302C90.3Very high90.3Very high3 Ų346.3 Ų46.32%0.0223%0.226CC..Hα-helixtrans-51.4-46.2-169.2-165.20000114.6P285 E304 H305 T306 H441P285-C302 HydrophobicContact CG-CB 4.42Å; C302-E304 PolarHBondContact O-N 2.76Å; C302-H305 WeakPolarHBondContact O-CB 3.45Å; C302-H305 PolarHBondContact O-N 2.95Å; C302-T306 WeakPolarHBondContact O-CB 3.37Å; C302-T306 PolarHBondContact O-N 2.78Å; C302-T306 PolarHBondContact O-OG1 3Å; C302-H441 HydrophobicContact CB-CB 4.39Å
303H86.7Confident90Very high35 Ų3545 Ų4516%0.16222%0.219CC..Hα-helixtrans-59.8-39.7178.463.2-63.1000114.2P301 F307 H441P301-H303 PolarHBondContact O-N 3.05Å; P301-H303 VanDerWaalsContact O-N 3.15Å; H303-F307 VanDerWaalsContact O-CB 3.29Å; H303-F307 WeakPolarHBondContact O-CB 3.49Å; H303-F307 PolarHBondContact O-N 3.1Å; H303-H441 HydrophobicContact CB-CB 3.94Å
304E88.1Confident89.7Confident88 Ų8848.2 Ų48.241%0.41122%0.224SC..Hα-helixtrans-70.5-42.5177.2-66.8-173.5-162.500110.6P300 P301 C302 F307 N308P300-E304 HydrophobicContact CB-CB 4.04Å; P300-E304 HydrophobicContact CG-CB 4.49Å; P301-E304 PolarHBondContact O-N 3Å; C302-E304 PolarHBondContact O-N 2.76Å; E304-F307 PolarHBondContact O-N 2.59Å; E304-N308 WeakPolarHBondContact O-CB 3.39Å; E304-N308 PolarHBondContact O-N 2.83Å; E304-N308 PolarHBondContact O-ND2 2.83Å
305H90.8Very high89.3Confident1 Ų145.2 Ų45.21%0.00521%0.209CC..Hα-helixtrans-57.4-52.3174.3175.168.7000111.7A282 P285 M299 P301 C302 F307 N308 Q309A282-H305 PolarHBondContact O-NE2 2.72Å; P285-H305 HydrophobicContact CB-CB 4.13Å; M299-H305 WeakPolarHBondContact CE-ND1 3.49Å; P301-H305 PolarHBondContact O-N 3.46Å; C302-H305 WeakPolarHBondContact O-CB 3.45Å; C302-H305 PolarHBondContact O-N 2.95Å; H305-F307 VanDerWaalsContact C-N 3.3Å; H305-F307 PolarHBondContact O-N 3.15Å; H305-N308 PolarHBondContact O-N 2.98Å; H305-Q309 WeakPolarHBondContact O-CB 3.31Å; H305-Q309 PolarHBondContact O-N 3.15Å
306T89.6Confident88.8Confident17 Ų1743 Ų4310%0.10420%0.195CC..Hα-helixtrans-59.9-39.6177.6-56.50000111.9C302 R310C302-T306 WeakPolarHBondContact O-CB 3.37Å; C302-T306 PolarHBondContact O-N 2.78Å; C302-T306 PolarHBondContact O-OG1 3Å; T306-R310 WeakPolarHBondContact O-CG 3.26Å; T306-R310 PolarHBondContact O-N 2.82Å; T306-R310 VanDerWaalsContact O-N 3.09Å
307F86.9Confident88.4Confident70 Ų7044.1 Ų44.131%0.30720%0.201SC..Hα-helixtrans-63.7-49.4175.5176-99.7000112H303 E304 H305 R310 R311 Y450H303-F307 VanDerWaalsContact O-CB 3.29Å; H303-F307 WeakPolarHBondContact O-CB 3.49Å; H303-F307 PolarHBondContact O-N 3.1Å; E304-F307 PolarHBondContact O-N 2.59Å; H305-F307 VanDerWaalsContact C-N 3.3Å; H305-F307 PolarHBondContact O-N 3.15Å; F307-R310 PolarHBondContact O-N 3.29Å; F307-R311 PolarHBondContact O-N 3Å; F307-Y450 HydrophobicContact CD2-CD1 4.43Å; F307-Y450 HydrophobicContact CD2-CG 4.13Å; F307-Y450 AromaticContact CE2-CD1 3.56Å; F307-Y450 HydrophobicContact CE2-CD1 3.56Å; F307-Y450 HydrophobicContact CE2-CD2 4.13Å; F307-Y450 HydrophobicContact CE2-CE1 4.02Å; F307-Y450 AromaticContact CE2-CG 3.62Å; F307-Y450 HydrophobicContact CE2-CG 3.62Å; F307-Y450 HydrophobicContact CZ-CD1 4.35Å; F307-Y450 HydrophobicContact CZ-CE1 4.37Å
308N87.3Confident87.9Confident58 Ų5844 Ų4431%0.3120%0.204SC..Hα-helixtrans-65.4-40.5-179.8-71.5-26.3000111.7E304 H305 R311 Y312E304-N308 WeakPolarHBondContact O-CB 3.39Å; E304-N308 PolarHBondContact O-N 2.83Å; E304-N308 PolarHBondContact O-ND2 2.83Å; H305-N308 PolarHBondContact O-N 2.98Å; N308-R311 PolarHBondContact O-N 3.35Å; N308-Y312 WeakPolarHBondContact O-CB 3.36Å; N308-Y312 PolarHBondContact O-N 3.36Å
309Q89.4Confident87.5Confident23 Ų2344.3 Ų44.311%0.10721%0.211CC..Hα-helixtrans-55.3-52.9173174.1-175.976.200111.2L280 Y281 A282 H305 R311 Y312 M313L280-Q309 WeakPolarHBondContact O-CB 3.27Å; L280-Q309 WeakPolarHBondContact O-CG 3.3Å; L280-Q309 PolarHBondContact O-NE2 2.85Å; Y281-Q309 PolarHBondContact O-NE2 2.69Å; Y281-Q309 VanDerWaalsContact O-NE2 3.08Å; A282-Q309 PolarHBondContact O-NE2 2.8Å; H305-Q309 WeakPolarHBondContact O-CB 3.31Å; H305-Q309 PolarHBondContact O-N 3.15Å; Q309-R311 VanDerWaalsContact C-N 3.3Å; Q309-R311 PolarHBondContact O-N 2.91Å; Q309-Y312 PolarHBondContact O-N 2.84Å; Q309-M313 HydrophobicContact CG-CE 3.5Å; Q309-M313 HydrophobicContact CG-CG 4.44Å; Q309-M313 HydrophobicContact CG-SD 4.04Å; Q309-M313 WeakPolarHBondContact O-CB 3.39Å; Q309-M313 WeakPolarHBondContact O-CG 3.18Å; Q309-M313 PolarHBondContact O-N 2.79Å
310R87.3Confident87.1Confident82 Ų8244.6 Ų44.631%0.30921%0.212SC..Hα-helixtrans-61.3-41.3179.8-74.3176.1-172.51609.9112T306 F307 R314 E455T306-R310 WeakPolarHBondContact O-CG 3.26Å; T306-R310 PolarHBondContact O-N 2.82Å; T306-R310 VanDerWaalsContact O-N 3.09Å; F307-R310 PolarHBondContact O-N 3.29Å; R310-R314 VanDerWaalsContact O-CB 3.3Å; R310-R314 WeakPolarHBondContact O-CB 3.38Å; R310-R314 PolarHBondContact O-N 3.31Å; R310-E455 IonicContact CZ-OE1 2.68Å; R310-E455 VanDerWaalsContact CZ-OE1 3.3Å; R310-E455 IonicContact CZ-OE2 3.86Å; R310-E455 IonicContact NH1-OE1 2.94Å; R310-E455 PolarHBondContact NH1-OE1 2.81Å; R310-E455 VanDerWaalsContact NH1-OE1 3.14Å; R310-E455 IonicContact NH1-OE2 2.9Å; R310-E455 PolarHBondContact NH1-OE2 3.14Å; R310-E455 IonicContact NH2-OE1 2.74Å; R310-E455 PolarHBondContact NH2-OE1 3.45Å; R310-E455 IonicContact NH2-OE2 3.99Å; R310-E455 PolarHBondContact NH2-OE2 3.38Å
311R86.1Confident87Confident108 Ų10850.1 Ų50.141%0.40823%0.23SC..Hα-helixtrans-62.1-46.3177.2-175.2172-177.3153.4-3.5111F307 N308 Q309 R314 S315 T340 F341F307-R311 PolarHBondContact O-N 3Å; N308-R311 PolarHBondContact O-N 3.35Å; Q309-R311 VanDerWaalsContact C-N 3.3Å; Q309-R311 PolarHBondContact O-N 2.91Å; R311-R314 PolarHBondContact O-N 3.46Å; R311-S315 WeakPolarHBondContact O-CB 3.4Å; R311-S315 PolarHBondContact O-N 3.5Å; R311-T340 PolarHBondContact NH2-O 2.97Å; R311-F341 VanDerWaalsContact CD-CE2 3.5Å; R311-F341 HydrophobicContact CG-CD1 4.46Å; R311-F341 HydrophobicContact CG-CD2 3.95Å; R311-F341 HydrophobicContact CG-CE1 4.4Å; R311-F341 HydrophobicContact CG-CE2 3.87Å; R311-F341 HydrophobicContact CG-CG 4.22Å; R311-F341 HydrophobicContact CG-CZ 4.1Å
312Y86.7Confident86.8Confident1 Ų154.2 Ų54.20%0.00424%0.243CC..Hα-helixtrans-64.5-50.1178.9-176-91.1000111.9F276 R277 L280 Y281 N308 Q309 R314 S315 E316 I335 F341 P343F276-Y312 HydrophobicContact CE1-CD2 4.48Å; F276-Y312 HydrophobicContact CE1-CE2 4.12Å; R277-Y312 HydrophobicContact CG-CE1 4Å; L280-Y312 HydrophobicContact CD1-CD1 4.16Å; L280-Y312 HydrophobicContact CD1-CD2 3.83Å; L280-Y312 HydrophobicContact CD1-CE2 4.33Å; L280-Y312 HydrophobicContact CD1-CG 3.75Å; Y281-Y312 AromaticContact CE1-CD1 3.84Å; Y281-Y312 HydrophobicContact CE1-CD1 3.84Å; Y281-Y312 AromaticContact CE1-CE1 3.94Å; Y281-Y312 HydrophobicContact CE1-CE1 3.94Å; N308-Y312 WeakPolarHBondContact O-CB 3.36Å; N308-Y312 PolarHBondContact O-N 3.36Å; Q309-Y312 PolarHBondContact O-N 2.84Å; Y312-R314 VanDerWaalsContact C-N 3.3Å; Y312-R314 PolarHBondContact O-N 2.9Å; Y312-S315 WeakPolarHBondContact O-CB 3.18Å; Y312-S315 PolarHBondContact O-N 2.94Å; Y312-S315 VanDerWaalsContact O-N 3.13Å; Y312-E316 PolarHBondContact O-N 2.89Å; Y312-I335 HydrophobicContact CE2-CG2 4.3Å; Y312-F341 AromaticContact CD2-CE1 3.93Å; Y312-F341 HydrophobicContact CD2-CE1 3.93Å; Y312-F341 HydrophobicContact CD2-CZ 4.48Å; Y312-P343 HydrophobicContact CD2-CB 4.25Å; Y312-P343 HydrophobicContact CE2-CB 4.49Å; Y312-P343 HydrophobicContact CE2-CG 4.42Å
313M86.9Confident86.4Confident30 Ų3055.2 Ų55.215%0.14825%0.249CC..Hα-helixtrans-57.2-42.3176.6-72.7179.2-177.700112Y281 Q309 E316 L317Y281-M313 HydrophobicContact CD1-CE 3.48Å; Y281-M313 VanDerWaalsContact CD1-CE 3.48Å; Y281-M313 HydrophobicContact CD1-CG 3.88Å; Y281-M313 HydrophobicContact CE1-CE 4.18Å; Y281-M313 HydrophobicContact CE1-CG 3.64Å; Y281-M313 HydrophobicContact CG-CE 4.13Å; Q309-M313 HydrophobicContact CG-CE 3.5Å; Q309-M313 HydrophobicContact CG-CG 4.44Å; Q309-M313 HydrophobicContact CG-SD 4.04Å; Q309-M313 WeakPolarHBondContact O-CB 3.39Å; Q309-M313 WeakPolarHBondContact O-CG 3.18Å; Q309-M313 PolarHBondContact O-N 2.79Å; M313-E316 PolarHBondContact O-N 2.98Å; M313-L317 VanDerWaalsContact O-CG 3.3Å; M313-L317 WeakPolarHBondContact O-CG 3.35Å; M313-L317 PolarHBondContact O-N 2.98Å
314R86.7Confident85.8Confident174 Ų17460.4 Ų60.466%0.65728%0.278SS*.Hα-helixtrans-65.1-43.1176.7-176.5-179.8-67.3169.1-1111.8R310 R311 Y312 E316 L317 N318R310-R314 VanDerWaalsContact O-CB 3.3Å; R310-R314 WeakPolarHBondContact O-CB 3.38Å; R310-R314 PolarHBondContact O-N 3.31Å; R311-R314 PolarHBondContact O-N 3.46Å; Y312-R314 VanDerWaalsContact C-N 3.3Å; Y312-R314 PolarHBondContact O-N 2.9Å; R314-E316 VanDerWaalsContact C-N 3.32Å; R314-E316 PolarHBondContact O-N 2.88Å; R314-L317 PolarHBondContact O-N 3.05Å; R314-N318 WeakPolarHBondContact O-CB 3.3Å; R314-N318 PolarHBondContact O-N 2.78Å; R314-N318 PolarHBondContact O-ND2 3.4Å
315S84.6Confident85.1Confident15 Ų1557.9 Ų57.911%0.10527%0.27CS..Hα-helixtrans-61.1-43178.1-166.40000111.5R311 Y312 N318 A319R311-S315 WeakPolarHBondContact O-CB 3.4Å; R311-S315 PolarHBondContact O-N 3.5Å; Y312-S315 WeakPolarHBondContact O-CB 3.18Å; Y312-S315 PolarHBondContact O-N 2.94Å; Y312-S315 VanDerWaalsContact O-N 3.13Å; S315-N318 PolarHBondContact O-N 3.16Å; S315-A319 WeakPolarHBondContact O-CB 3.24Å; S315-A319 PolarHBondContact O-N 3.23Å
316E85.6Confident84.1Confident2 Ų262.2 Ų62.21%0.00929%0.29CS..Hα-helixtrans-61.6-49.7175.8171.7179.2-106.100112.2H138 R277 Y281 Y312 M313 R314 N318 A319 L320 Y336H138-E316 IonicContact CE1-OE2 3.54Å; H138-E316 PolarHBondContact CE1-OE2 3.42Å; H138-E316 VanDerWaalsContact CE1-OE2 3.26Å; H138-E316 IonicContact NE2-OE2 2.73Å; H138-E316 PolarHBondContact NE2-OE2 3.41Å; R277-E316 IonicContact CZ-OE1 3.68Å; R277-E316 IonicContact NE-OE1 3.68Å; R277-E316 PolarHBondContact NE-OE1 3.02Å; R277-E316 IonicContact NH2-OE1 2.83Å; R277-E316 PolarHBondContact NH2-OE1 2.92Å; R277-E316 IonicContact NH2-OE2 3.11Å; Y281-E316 PolarHBondContact OH-OE1 3.14Å; Y281-E316 PolarHBondContact OH-OE2 3.45Å; Y312-E316 PolarHBondContact O-N 2.89Å; M313-E316 PolarHBondContact O-N 2.98Å; R314-E316 VanDerWaalsContact C-N 3.32Å; R314-E316 PolarHBondContact O-N 2.88Å; E316-N318 VanDerWaalsContact C-N 3.27Å; E316-N318 PolarHBondContact O-N 3.46Å; E316-A319 PolarHBondContact O-N 3.49Å; E316-L320 PolarHBondContact O-N 3.32Å; E316-Y336 HydrophobicContact CB-CD2 4.02Å; E316-Y336 HydrophobicContact CB-CE2 4.23Å; E316-Y336 HydrophobicContact CB-CG 4.48Å; E316-Y336 HydrophobicContact CG-CD2 3.97Å; E316-Y336 HydrophobicContact CG-CE2 3.66Å; E316-Y336 WeakPolarHBondContact OE1-CE2 3.45Å
317L86.6Confident83.1Confident35 Ų3568.9 Ų68.918%0.18333%0.325CS..Hα-helixtrans-63-36.9179.5-66.6173.9000111.4R141 K142 I145 M313 R314 L320 W321R141-L317 HydrophobicContact CB-CD1 4.41Å; R141-L317 HydrophobicContact CB-CD2 4.18Å; K142-L317 HydrophobicContact CG-CD2 4.2Å; I145-L317 HydrophobicContact CD1-CB 3.97Å; I145-L317 HydrophobicContact CD1-CD2 3.71Å; I145-L317 HydrophobicContact CD1-CG 4.4Å; M313-L317 VanDerWaalsContact O-CG 3.3Å; M313-L317 WeakPolarHBondContact O-CG 3.35Å; M313-L317 PolarHBondContact O-N 2.98Å; R314-L317 PolarHBondContact O-N 3.05Å; L317-L320 PolarHBondContact O-N 3.39Å; L317-W321 WeakPolarHBondContact O-CB 3.46Å; L317-W321 PolarHBondContact O-N 3.46Å
318N85.9Confident82.1Confident86 Ų8670.8 Ų70.846%0.4634%0.339SS..Hα-helixtrans-66.3-40.6174.5-74.6-13.2000112.4R314 S315 E316 W321 K322R314-N318 WeakPolarHBondContact O-CB 3.3Å; R314-N318 PolarHBondContact O-N 2.78Å; R314-N318 PolarHBondContact O-ND2 3.4Å; S315-N318 PolarHBondContact O-N 3.16Å; E316-N318 VanDerWaalsContact C-N 3.27Å; E316-N318 PolarHBondContact O-N 3.46Å; N318-W321 WeakPolarHBondContact O-CB 3.33Å; N318-W321 PolarHBondContact O-N 3.01Å; N318-K322 WeakPolarHBondContact O-CG 3.5Å; N318-K322 PolarHBondContact O-N 2.81Å
319A84.1Confident81Confident29 Ų2969.7 Ų69.724%0.2433%0.333CS..Hα-helixtrans-61.9-48.9175.900000110.2S315 E316 W321 K322 T323 Y336S315-A319 WeakPolarHBondContact O-CB 3.24Å; S315-A319 PolarHBondContact O-N 3.23Å; E316-A319 PolarHBondContact O-N 3.49Å; A319-W321 VanDerWaalsContact C-N 3.25Å; A319-W321 PolarHBondContact O-N 2.81Å; A319-K322 PolarHBondContact O-N 2.93Å; A319-T323 PolarHBondContact O-N 3Å; A319-T323 VanDerWaalsContact O-N 3.16Å; A319-T323 PolarHBondContact O-OG1 3.32Å; A319-T323 VanDerWaalsContact O-OG1 3.05Å; A319-Y336 HydrophobicContact CB-CD1 3.66Å; A319-Y336 HydrophobicContact CB-CE1 3.84Å
320L84.5Confident79.7Confident10 Ų1070.5 Ų70.55%0.05234%0.34CS..Hα-helixtrans-58.9-36.9176.3-174.464.8000112.4K142 I145 K149 E316 L317 I329K142-L320 HydrophobicContact CB-CD2 4.22Å; K142-L320 HydrophobicContact CG-CD2 4.44Å; I145-L320 HydrophobicContact CB-CD2 4.03Å; I145-L320 HydrophobicContact CB-CG 4.41Å; I145-L320 HydrophobicContact CD1-CD2 4.11Å; I145-L320 HydrophobicContact CG2-CB 4.49Å; I145-L320 HydrophobicContact CG2-CD2 3.98Å; I145-L320 HydrophobicContact CG2-CG 3.8Å; K149-L320 WeakPolarHBondContact CE-O 3.38Å; E316-L320 PolarHBondContact O-N 3.32Å; L317-L320 PolarHBondContact O-N 3.39Å; L320-I329 HydrophobicContact CD1-CD1 3.99Å; L320-I329 HydrophobicContact CD1-CG1 4.2Å; L320-I329 HydrophobicContact CD1-CG2 4.04Å
321W84.4Confident78.5Confident139 Ų13970.5 Ų70.553%0.52735%0.35SS..Hα-helixtrans-65.3-38.8175.1-175.1-101.8000112.8I145 Q148 K149 L317 N318 A319I145-W321 HydrophobicContact CG1-CE3 4.38Å; I145-W321 HydrophobicContact CG2-CE3 3.92Å; Q148-W321 HydrophobicContact CB-CZ3 4.14Å; K149-W321 VanDerWaalsContact CE-O 3.32Å; K149-W321 WeakPolarHBondContact CE-O 3.49Å; K149-W321 PolarHBondContact NZ-O 2.88Å; L317-W321 WeakPolarHBondContact O-CB 3.46Å; L317-W321 PolarHBondContact O-N 3.46Å; N318-W321 WeakPolarHBondContact O-CB 3.33Å; N318-W321 PolarHBondContact O-N 3.01Å; A319-W321 VanDerWaalsContact C-N 3.25Å; A319-W321 PolarHBondContact O-N 2.81Å
322K85.1Confident77.2Confident133 Ų13369.6 Ų69.658%0.57835%0.351SS*.Hα-helixtrans-75.1-20.4-179.5-71.1174.6-178.6178.60113.9N318 A319 D324 D338N318-K322 WeakPolarHBondContact O-CG 3.5Å; N318-K322 PolarHBondContact O-N 2.81Å; A319-K322 PolarHBondContact O-N 2.93Å; K322-D324 PolarHBondContact O-N 3.47Å; K322-D338 IonicContact NZ-OD2 2.76Å; K322-D338 PolarHBondContact NZ-OD2 3.11Å
323T81.9Confident75.8Confident23 Ų2375.5 Ų75.514%0.14139%0.387CS..  trans-70.9122-177.7-51.10000111.9K149 A319 S325 D328 I329K149-T323 WeakPolarHBondContact CE-O 3.44Å; K149-T323 PolarHBondContact NZ-O 3.48Å; A319-T323 PolarHBondContact O-N 3Å; A319-T323 VanDerWaalsContact O-N 3.16Å; A319-T323 PolarHBondContact O-OG1 3.32Å; A319-T323 VanDerWaalsContact O-OG1 3.05Å; T323-S325 VanDerWaalsContact CG2-O 3.29Å; T323-S325 WeakPolarHBondContact CG2-O 3.23Å; T323-D328 HydrophobicContact CG2-CB 3.47Å; T323-D328 VanDerWaalsContact CG2-CB 3.47Å; T323-I329 HydrophobicContact CG2-CG1 3.86Å
324D73.4Confident74.5Confident145 Ų14577.1 Ų77.178%0.77540%0.398SS*.  trans-82.9-24.1-173.3-71.7-36.2000114.5Y151 K322Y151-D324 PolarHBondContact OH-O 3.33Å; Y151-D324 VanDerWaalsContact OH-O 3.14Å; K322-D324 PolarHBondContact O-N 3.47Å
325S74.1Confident73.4Confident35 Ų3571.6 Ų71.625%0.24538%0.382CS..SBendtrans-124.2159.4179.484.50000112.6Y151 T323 D327 D328Y151-S325 VanDerWaalsContact OH-CA 3.32Å; Y151-S325 WeakPolarHBondContact OH-CA 3.29Å; T323-S325 VanDerWaalsContact CG2-O 3.29Å; T323-S325 WeakPolarHBondContact CG2-O 3.23Å; S325-D327 VanDerWaalsContact C-N 3.3Å; S325-D327 PolarHBondContact OG-N 2.93Å; S325-D328 WeakPolarHBondContact CB-OD2 3.47Å; S325-D328 WeakPolarHBondContact OG-CB 3.38Å; S325-D328 PolarHBondContact OG-N 3.33Å; S325-D328 VanDerWaalsContact OG-N 3.14Å; S325-D328 PolarHBondContact OG-OD2 3.28Å
326E68.8Low72Confident92 Ų9272 Ų7243%0.4338%0.381SS..SBendtrans-66.6-33.6174.8-167172.8168.700111.8W146 Y151 D328 I329W146-E326 HydrophobicContact CH2-CG 3.34Å; W146-E326 WeakPolarHBondContact CH2-OE1 3.19Å; W146-E326 HydrophobicContact CZ2-CG 4.28Å; W146-E326 VanDerWaalsContact CZ3-CD 3.44Å; W146-E326 HydrophobicContact CZ3-CG 3.74Å; W146-E326 WeakPolarHBondContact CZ3-OE1 3.29Å; Y151-E326 HydrophobicContact CE1-CB 4.29Å; Y151-E326 HydrophobicContact CE2-CB 4.31Å; Y151-E326 PolarHBondContact OH-N 3.48Å; E326-D328 VanDerWaalsContact C-N 3.35Å; E326-I329 HydrophobicContact CG-CD1 4.48Å; E326-I329 WeakPolarHBondContact O-CB 3.32Å; E326-I329 WeakPolarHBondContact O-CG1 3.26Å; E326-I329 PolarHBondContact O-N 2.88Å
327D68.1Low70.6Confident157 Ų15776.5 Ų76.584%0.8441%0.408SS*.THydrogen-bonded Turntrans-75.2-23.4-177.4-64-39.9000113S325 I329S325-D327 VanDerWaalsContact C-N 3.3Å; S325-D327 PolarHBondContact OG-N 2.93Å; D327-I329 VanDerWaalsContact C-N 3.25Å; D327-I329 PolarHBondContact O-N 3.14Å
328D66.1Low69.2Low110 Ų11077.6 Ų77.659%0.58841%0.414SS*.THydrogen-bonded Turntrans-83.60.2177.5-65.7-42.6000112.9T323 S325 E326 P330T323-D328 HydrophobicContact CG2-CB 3.47Å; T323-D328 VanDerWaalsContact CG2-CB 3.47Å; S325-D328 WeakPolarHBondContact CB-OD2 3.47Å; S325-D328 WeakPolarHBondContact OG-CB 3.38Å; S325-D328 PolarHBondContact OG-N 3.33Å; S325-D328 VanDerWaalsContact OG-N 3.14Å; S325-D328 PolarHBondContact OG-OD2 3.28Å; E326-D328 VanDerWaalsContact C-N 3.35Å; D328-P330 WeakPolarHBondContact O-CD 3.48Å
329I65.7Low67.6Low35 Ų3582.9 Ų82.918%0.17944%0.437CS..SBendtrans-75.5117.2178.9-61.1172.9000108.1W146 L320 T323 E326 D327W146-I329 HydrophobicContact CH2-CD1 3.97Å; W146-I329 HydrophobicContact CZ2-CD1 3.23Å; L320-I329 HydrophobicContact CD1-CD1 3.99Å; L320-I329 HydrophobicContact CD1-CG1 4.2Å; L320-I329 HydrophobicContact CD1-CG2 4.04Å; T323-I329 HydrophobicContact CG2-CG1 3.86Å; E326-I329 HydrophobicContact CG-CD1 4.48Å; E326-I329 WeakPolarHBondContact O-CB 3.32Å; E326-I329 WeakPolarHBondContact O-CG1 3.26Å; E326-I329 PolarHBondContact O-N 2.88Å; D327-I329 VanDerWaalsContact C-N 3.25Å; D327-I329 PolarHBondContact O-N 3.14Å
330P61.5Low66.2Low39 Ų3986.5 Ų86.525%0.25346%0.455SS..PPolyproline II helixtrans-64.8141.4-177.925.4-31.9000110.2D328 V334 Y336D328-P330 WeakPolarHBondContact O-CD 3.48Å; P330-V334 HydrophobicContact CB-CB 4.02Å; P330-V334 HydrophobicContact CB-CG1 4.15Å; P330-V334 HydrophobicContact CB-CG2 4.27Å; P330-Y336 HydrophobicContact CG-CD1 4.34Å; P330-Y336 HydrophobicContact CG-CE1 3.41Å; P330-Y336 VanDerWaalsContact CG-CE1 3.41Å
331P61.8Low64.7Low82 Ų8287 Ų8753%0.53246%0.457SS..PPolyproline II helixtrans-61.4155.8179.520-27000110.9T333 V334P331-T333 PolarHBondContact O-N 3.38Å; P331-V334 HydrophobicContact CG-CG2 3.83Å; P331-V334 PolarHBondContact O-N 3.21Å
332E59Low63.6Low89 Ų8985.5 Ų85.542%0.41646%0.464SS..THydrogen-bonded Turntrans-57.9-14.4-175.4-67.7-145.3123.600115K142 R277K142-E332 IonicContact NZ-OE1 3.92Å; K142-E332 PolarHBondContact NZ-OE1 3.33Å; K142-E332 VanDerWaalsContact NZ-OE1 3.14Å; R277-E332 IonicContact CZ-OE1 2.92Å; R277-E332 IonicContact NH1-OE1 2.74Å; R277-E332 PolarHBondContact NH1-OE1 2.85Å; R277-E332 IonicContact NH1-OE2 3.92Å; R277-E332 IonicContact NH2-OE1 2.66Å
333T56.9Low62.5Low125 Ų12579.8 Ų79.877%0.76744%0.44SS*.THydrogen-bonded Turntrans-80.7-14177.152.60000113.7P331P331-T333 PolarHBondContact O-N 3.38Å
334V59.1Low61.8Low64 Ų6483.2 Ų83.239%0.38846%0.458SS..SBendtrans-86.7128.8-178.1179.30000110.1P330 P331P330-V334 HydrophobicContact CB-CB 4.02Å; P330-V334 HydrophobicContact CB-CG1 4.15Å; P330-V334 HydrophobicContact CB-CG2 4.27Å; P331-V334 HydrophobicContact CG-CG2 3.83Å; P331-V334 PolarHBondContact O-N 3.21Å
335I63.3Low61.6Low59 Ų5981.2 Ų81.230%0.30345%0.446SS..PPolyproline II helixtrans-81.7120.2175.5-57.3179.6000108.7F276 Y312 T337 P343 L345F276-I335 HydrophobicContact CB-CD1 4.17Å; F276-I335 HydrophobicContact CD1-CD1 3.98Å; F276-I335 HydrophobicContact CD1-CG1 4.3Å; F276-I335 HydrophobicContact CD1-CG2 4.17Å; F276-I335 HydrophobicContact CE1-CG2 4.12Å; F276-I335 HydrophobicContact CG-CD1 4.13Å; Y312-I335 HydrophobicContact CE2-CG2 4.3Å; I335-T337 PolarHBondContact O-N 2.69Å; I335-P343 HydrophobicContact CG2-CG 3.49Å; I335-P343 VanDerWaalsContact CG2-CG 3.49Å; I335-L345 HydrophobicContact CD1-CD2 3.48Å; I335-L345 VanDerWaalsContact CD1-CD2 3.48Å; I335-L345 HydrophobicContact CG2-CD2 4.13Å
336Y57Low61.6Low24 Ų2485.3 Ų85.39%0.09447%0.465CS..PPolyproline II helixtrans-66.6127.2177.7-66.5-83.7000112.1E316 A319 P330 P343E316-Y336 HydrophobicContact CB-CD2 4.02Å; E316-Y336 HydrophobicContact CB-CE2 4.23Å; E316-Y336 HydrophobicContact CB-CG 4.48Å; E316-Y336 HydrophobicContact CG-CD2 3.97Å; E316-Y336 HydrophobicContact CG-CE2 3.66Å; E316-Y336 WeakPolarHBondContact OE1-CE2 3.45Å; A319-Y336 HydrophobicContact CB-CD1 3.66Å; A319-Y336 HydrophobicContact CB-CE1 3.84Å; P330-Y336 HydrophobicContact CG-CD1 4.34Å; P330-Y336 HydrophobicContact CG-CE1 3.41Å; P330-Y336 VanDerWaalsContact CG-CE1 3.41Å; Y336-P343 WeakPolarHBondContact O-CD 3.43Å
337T55.7Low62.2Low95 Ų9581.8 Ų81.858%0.58345%0.45SS*.  trans-129.7144.4170.762.80000108.9I335 P343I335-T337 PolarHBondContact O-N 2.69Å; T337-P343 HydrophobicContact CG2-CG 4.4Å
338D55.8Low63.2Low58 Ų5876.1 Ų76.131%0.3142%0.418SS..BIsolated β-bridgetrans-137.6165.6173.6-166.8-3.2000108.5K322 T340 F341K322-D338 IonicContact NZ-OD2 2.76Å; K322-D338 PolarHBondContact NZ-OD2 3.11Å; D338-T340 PolarHBondContact O-N 3.44Å; D338-F341 PolarHBondContact N-O 2.89Å; D338-F341 CarbonylContact O-C 3.59Å; D338-F341 PolarHBondContact O-N 3.03Å; D338-F341 VanDerWaalsContact O-O 3.09Å
339E52.6Low64.3Low198 Ų19875 Ų7593%0.92541%0.408SS*.THydrogen-bonded Turntrans-55.1-26.3175.9-64.5-173.1169.100112.4
340T54.8Low65.4Low104 Ų10478.9 Ų78.964%0.63843%0.43SS*.THydrogen-bonded Turntrans-94.8-11.3-179.864.40000114R311 D338R311-T340 PolarHBondContact NH2-O 2.97Å; D338-T340 PolarHBondContact O-N 3.44Å
341F54.5Low66.5Low21 Ų2178.7 Ų78.79%0.09243%0.428CS..BIsolated β-bridgetrans-159117.3-176.7178.7-119.7000113.1R311 Y312 D338 P343R311-F341 VanDerWaalsContact CD-CE2 3.5Å; R311-F341 HydrophobicContact CG-CD1 4.46Å; R311-F341 HydrophobicContact CG-CD2 3.95Å; R311-F341 HydrophobicContact CG-CE1 4.4Å; R311-F341 HydrophobicContact CG-CE2 3.87Å; R311-F341 HydrophobicContact CG-CG 4.22Å; R311-F341 HydrophobicContact CG-CZ 4.1Å; Y312-F341 AromaticContact CD2-CE1 3.93Å; Y312-F341 HydrophobicContact CD2-CE1 3.93Å; Y312-F341 HydrophobicContact CD2-CZ 4.48Å; D338-F341 PolarHBondContact N-O 2.89Å; D338-F341 CarbonylContact O-C 3.59Å; D338-F341 PolarHBondContact O-N 3.03Å; D338-F341 VanDerWaalsContact O-O 3.09Å; F341-P343 HydrophobicContact CE1-CB 4.12Å; F341-P343 HydrophobicContact CZ-CB 3.95Å
342T61.5Low67.1Low107 Ų10780.2 Ų80.266%0.65643%0.431SS*.  trans-108.6121.9162.745.30000108.4
343P61.9Low68.1Low13 Ų1379.7 Ų79.78%0.08443%0.428CS..  trans-68.1136.1175.327.6-28.7000109.3F276 Y312 I335 Y336 T337 F341 L345F276-P343 HydrophobicContact CE1-CB 3.9Å; F276-P343 HydrophobicContact CE1-CG 4.3Å; F276-P343 HydrophobicContact CZ-CB 3.82Å; Y312-P343 HydrophobicContact CD2-CB 4.25Å; Y312-P343 HydrophobicContact CE2-CB 4.49Å; Y312-P343 HydrophobicContact CE2-CG 4.42Å; I335-P343 HydrophobicContact CG2-CG 3.49Å; I335-P343 VanDerWaalsContact CG2-CG 3.49Å; Y336-P343 WeakPolarHBondContact O-CD 3.43Å; T337-P343 HydrophobicContact CG2-CG 4.4Å; F341-P343 HydrophobicContact CE1-CB 4.12Å; F341-P343 HydrophobicContact CZ-CB 3.95Å; P343-L345 HydrophobicContact CG-CD2 4.43Å; P343-L345 PolarHBondContact O-N 2.89Å
344D66.5Low69.3Low96 Ų9679.3 Ų79.351%0.51343%0.426SS..  trans-67.1117.1169.2-1753.3000108.3F276 N346 I347F276-D344 VanDerWaalsContact CE2-O 3.3Å; F276-D344 WeakPolarHBondContact CE2-O 3.34Å; F276-D344 WeakPolarHBondContact CZ-O 3.32Å; D344-N346 VanDerWaalsContact C-N 3.26Å; D344-N346 WeakPolarHBondContact OD1-CB 3.48Å; D344-N346 PolarHBondContact OD1-N 3.47Å; D344-I347 WeakPolarHBondContact O-CG2 3.34Å
345L67.9Low71Confident102 Ų10276.7 Ų76.753%0.53441%0.41SS..SBendtrans-79.1-14.9179.4-59.6-178.8000111.7F276 I335 P343 I347F276-L345 HydrophobicContact CD2-CD2 4.37Å; F276-L345 HydrophobicContact CE1-CD2 4.28Å; F276-L345 HydrophobicContact CE2-CD2 4.13Å; F276-L345 HydrophobicContact CZ-CD2 4.09Å; I335-L345 HydrophobicContact CD1-CD2 3.48Å; I335-L345 VanDerWaalsContact CD1-CD2 3.48Å; I335-L345 HydrophobicContact CG2-CD2 4.13Å; P343-L345 HydrophobicContact CG-CD2 4.43Å; P343-L345 PolarHBondContact O-N 2.89Å; L345-I347 PolarHBondContact O-N 3.32Å; L345-I347 VanDerWaalsContact O-N 3.16Å
346N74.8Confident72.5Confident121 Ų12177.8 Ų77.865%0.64742%0.419SS*.  trans-88.749.3175.9-65.2-32.9000111.6D344 F348D344-N346 VanDerWaalsContact C-N 3.26Å; D344-N346 WeakPolarHBondContact OD1-CB 3.48Å; D344-N346 PolarHBondContact OD1-N 3.47Å; N346-F348 PolarHBondContact O-N 3.37Å; N346-F348 VanDerWaalsContact O-N 3.17Å
347I82.6Confident74.3Confident19 Ų1978 Ų7810%0.09742%0.422CS..  trans-61.7-22.2178.247.8164.3000113.6F276 V279 L280 M299 P300 D344 L345F276-I347 HydrophobicContact CD2-CD1 3.67Å; F276-I347 HydrophobicContact CD2-CG1 3.98Å; F276-I347 HydrophobicContact CD2-CG2 4.45Å; F276-I347 HydrophobicContact CE2-CB 4.32Å; F276-I347 HydrophobicContact CE2-CD1 3.87Å; F276-I347 HydrophobicContact CE2-CG1 3.87Å; F276-I347 HydrophobicContact CE2-CG2 3.54Å; F276-I347 HydrophobicContact CZ-CG2 4.17Å; V279-I347 HydrophobicContact CB-CD1 4.33Å; V279-I347 HydrophobicContact CG1-CD1 3.85Å; L280-I347 HydrophobicContact CD2-CG2 4.17Å; M299-I347 WeakPolarHBondContact CA-O 3.17Å; M299-I347 HydrophobicContact CE-CB 4.46Å; M299-I347 HydrophobicContact CE-CD1 4.41Å; P300-I347 WeakPolarHBondContact CD-O 3.49Å; D344-I347 WeakPolarHBondContact O-CG2 3.34Å; L345-I347 PolarHBondContact O-N 3.32Å; L345-I347 VanDerWaalsContact O-N 3.16Å
348F88.4Confident76.3Confident38 Ų3873.5 Ų73.517%0.16739%0.394CS..  trans-101.7111.4177.3-73.8-76.8000110.4L274 V279 T286 H288 K297 M299 N346L274-F348 HydrophobicContact CD2-CD2 4.22Å; L274-F348 HydrophobicContact CD2-CE2 3.24Å; L274-F348 HydrophobicContact CD2-CZ 3.45Å; L274-F348 VanDerWaalsContact CD2-CZ 3.45Å; V279-F348 HydrophobicContact CG1-CE2 4.2Å; V279-F348 HydrophobicContact CG1-CZ 4.01Å; T286-F348 WeakPolarHBondContact O-CE1 3.35Å; H288-F348 HydrophobicContact CB-CD1 3.57Å; H288-F348 HydrophobicContact CB-CE1 3.48Å; H288-F348 VanDerWaalsContact CB-CE1 3.48Å; H288-F348 HydrophobicContact CB-CG 4.29Å; H288-F348 HydrophobicContact CB-CZ 4.17Å; K297-F348 HydrophobicContact CB-CB 3.9Å; K297-F348 HydrophobicContact CB-CD1 4.24Å; K297-F348 HydrophobicContact CB-CG 4.49Å; K297-F348 HydrophobicContact CD-CB 4.13Å; M299-F348 HydrophobicContact CG-CD1 4.05Å; M299-F348 HydrophobicContact CG-CE1 3.67Å; M299-F348 HydrophobicContact CG-CE2 4.48Å; M299-F348 HydrophobicContact CG-CZ 3.91Å; M299-F348 HydrophobicContact SD-CE1 4.34Å; M299-F348 HydrophobicContact SD-CZ 4.07Å; N346-F348 PolarHBondContact O-N 3.37Å; N346-F348 VanDerWaalsContact O-N 3.17Å
349Q88.4Confident78.1Confident85 Ų8574.6 Ų74.640%0.39739%0.394SS..EExtended strand (participates in β ladder)trans-110.5165.6178.8-60.6-178.75.600110.2K297 Q298K297-Q349 CarbonylContact C-O 3.54Å; K297-Q349 VanDerWaalsContact CA-O 3.26Å; K297-Q349 WeakPolarHBondContact CA-O 3.41Å; K297-Q349 WeakPolarHBondContact CB-O 3.48Å; Q298-Q349 PolarHBondContact N-O 3.49Å; Q298-Q349 PolarHBondContact O-N 3.16Å
350D88.3Confident80.2Confident118 Ų11867.5 Ų67.563%0.63137%0.367SS*.EExtended strand (participates in β ladder)trans-66.5150.1172.4-66.5-37.3000110.4L352D350-L352 PolarHBondContact O-N 2.88Å
351V86.1Confident82.1Confident34 Ų3462.6 Ų62.621%0.20634%0.336CS..  trans-60.3110.2178.2-176.60000109.3V296 Q298V296-V351 HydrophobicContact CB-CG2 4.32Å; V296-V351 HydrophobicContact CG1-CG2 3.81Å; Q298-V351 HydrophobicContact CB-CG2 4.39Å
352L74.3Confident84Confident115 Ų11561.7 Ų61.760%0.60233%0.332SS*.  trans-77.2-37.1-168.2-67.4172.3000113.6D350D350-L352 PolarHBondContact O-N 2.88Å
353H79.8Confident85.5Confident77 Ų7760 Ų6036%0.35632%0.319SS..  trans-119.3123.7-167.5-58.8-51.6000111.3E423H353-E423 HydrophobicContact CB-CB 4.21Å
354T82.8Confident87Confident118 Ų11863.4 Ų63.472%0.72433%0.334SS*.  trans-74.5142.8168.756.50000109.9
355D93.4Very high88.3Confident8 Ų858.9 Ų58.94%0.04331%0.31CS..  trans-112.8167174.471.998.3000110H202 S206 V358 D425 I428H202-D355 IonicContact CE1-OD2 2.87Å; H202-D355 IonicContact NE2-OD1 3.92Å; H202-D355 IonicContact NE2-OD2 2.67Å; H202-D355 PolarHBondContact NE2-OD2 2.8Å; S206-D355 WeakPolarHBondContact CB-OD2 3.48Å; S206-D355 PolarHBondContact OG-OD2 3.41Å; D355-V358 WeakPolarHBondContact OD1-CA 3.32Å; D355-V358 WeakPolarHBondContact OD1-CB 3.17Å; D355-V358 VanDerWaalsContact OD1-CG2 3.29Å; D355-V358 WeakPolarHBondContact OD1-CG2 3.48Å; D355-V358 PolarHBondContact OD1-N 3.11Å; D355-D425 WeakPolarHBondContact CB-OD1 3.31Å; D355-I428 HydrophobicContact CB-CD1 3.93Å
356T95.1Very high89.4Confident82 Ų8255.1 Ų55.150%0.50329%0.289SS..SBendtrans-113.2-26.6179.170.50000112.1S360 A422 D425T356-S360 WeakPolarHBondContact O-CB 3.36Å; T356-S360 PolarHBondContact O-N 3.11Å; T356-A422 HydrophobicContact CG2-CB 4.28Å; T356-D425 PolarHBondContact N-OD1 2.87Å; T356-D425 PolarHBondContact N-OD2 2.66Å; T356-D425 PolarHBondContact OG1-OD2 2.74Å
357L96.1Very high90.2Very high29 Ų2956.3 Ų56.315%0.15230%0.295CS..Hα-helixtrans-66.7-48.8-177.9-68.8171.3000112.3R359 F361 F382 L386 D425 V429L357-R359 VanDerWaalsContact C-N 3.34Å; L357-F361 WeakPolarHBondContact O-CB 3.43Å; L357-F361 PolarHBondContact O-N 3.21Å; L357-F382 HydrophobicContact CB-CE2 4.34Å; L357-L386 HydrophobicContact CD1-CD2 3.98Å; L357-D425 WeakPolarHBondContact CB-OD1 3.4Å; L357-D425 HydrophobicContact CD1-CB 3.93Å; L357-D425 HydrophobicContact CG-CB 4.27Å; L357-D425 VanDerWaalsContact CG-OD1 3.31Å; L357-D425 WeakPolarHBondContact CG-OD1 3.39Å; L357-D425 PolarHBondContact N-OD1 2.84Å; L357-V429 HydrophobicContact CD1-CG2 4.45Å
358V96.4Very high90.6Very high0 Ų057.9 Ų57.90%030%0.303CS..Hα-helixtrans-71.8-36.9178.9-176.50000109.7I205 S206 L209 D355 F361 I362 F382 I428I205-V358 HydrophobicContact CB-CG1 3.83Å; I205-V358 HydrophobicContact CG2-CG1 3.52Å; I205-V358 HydrophobicContact CG2-CG2 4.33Å; S206-V358 WeakPolarHBondContact OG-CB 3.45Å; L209-V358 HydrophobicContact CD1-CG2 3.75Å; D355-V358 WeakPolarHBondContact OD1-CA 3.32Å; D355-V358 WeakPolarHBondContact OD1-CB 3.17Å; D355-V358 VanDerWaalsContact OD1-CG2 3.29Å; D355-V358 WeakPolarHBondContact OD1-CG2 3.48Å; D355-V358 PolarHBondContact OD1-N 3.11Å; V358-F361 PolarHBondContact O-N 2.83Å; V358-I362 HydrophobicContact CG1-CD1 3.79Å; V358-I362 HydrophobicContact CG1-CG1 4.18Å; V358-I362 WeakPolarHBondContact O-CB 3.35Å; V358-I362 WeakPolarHBondContact O-CG1 3.47Å; V358-I362 PolarHBondContact O-N 3.14Å; V358-F382 HydrophobicContact CG2-CZ 4.28Å; V358-I428 HydrophobicContact CG2-CD1 3.66Å
359R94.8Very high90.5Very high81 Ų8163.3 Ų63.331%0.30633%0.327SS..Hα-helixtrans-55.8-55.3175.4-175.466.4-151.5-172.11.4112E198 L357 F361 I362 D363E198-R359 IonicContact OE1-CZ 2.71Å; E198-R359 IonicContact OE1-NH1 3.65Å; E198-R359 PolarHBondContact OE1-NH1 3.38Å; E198-R359 IonicContact OE1-NH2 2.7Å; E198-R359 PolarHBondContact OE1-NH2 2.95Å; L357-R359 VanDerWaalsContact C-N 3.34Å; R359-F361 VanDerWaalsContact C-N 3.34Å; R359-F361 PolarHBondContact O-N 2.66Å; R359-I362 PolarHBondContact O-N 2.86Å; R359-D363 IonicContact CZ-OD1 2.77Å; R359-D363 VanDerWaalsContact CZ-OD1 3.25Å; R359-D363 IonicContact CZ-OD2 3.26Å; R359-D363 IonicContact NE-OD1 2.65Å; R359-D363 PolarHBondContact NE-OD1 3.08Å; R359-D363 IonicContact NE-OD2 3.55Å; R359-D363 PolarHBondContact NE-OD2 3.46Å; R359-D363 IonicContact NH2-OD1 2.96Å; R359-D363 PolarHBondContact NH2-OD1 2.58Å; R359-D363 IonicContact NH2-OD2 2.69Å; R359-D363 PolarHBondContact NH2-OD2 3.49Å; R359-D363 WeakPolarHBondContact O-CB 3.29Å; R359-D363 VanDerWaalsContact O-CG 3.26Å; R359-D363 PolarHBondContact O-N 2.71Å
360S95.3Very high90.3Very high50 Ų5061.1 Ų61.135%0.3532%0.32SS..Hα-helixtrans-61-42177.31570000111.7T356 I362 D363 E364T356-S360 WeakPolarHBondContact O-CB 3.36Å; T356-S360 PolarHBondContact O-N 3.11Å; S360-I362 PolarHBondContact O-N 2.86Å; S360-D363 PolarHBondContact O-N 2.93Å; S360-E364 WeakPolarHBondContact O-CB 3.47Å; S360-E364 VanDerWaalsContact O-CG 3.3Å; S360-E364 WeakPolarHBondContact O-CG 3.44Å; S360-E364 PolarHBondContact O-N 3.14Å; S360-E364 PolarHBondContact OG-OE1 3.08Å
361F96.3Very high89.5Confident1 Ų157.9 Ų57.90%0.00431%0.314CS..Hα-helixtrans-57.8-46.9175.7168.6-100.4000112.4L187 F235 L357 V358 R359 E364 V365 Y378 L379 F382L187-F361 HydrophobicContact CD1-CZ 4.44Å; F235-F361 HydrophobicContact CE1-CE1 4.07Å; F235-F361 AromaticContact CZ-CE1 3.84Å; F235-F361 HydrophobicContact CZ-CE1 3.84Å; F235-F361 HydrophobicContact CZ-CZ 4.42Å; L357-F361 WeakPolarHBondContact O-CB 3.43Å; L357-F361 PolarHBondContact O-N 3.21Å; V358-F361 PolarHBondContact O-N 2.83Å; R359-F361 VanDerWaalsContact C-N 3.34Å; R359-F361 PolarHBondContact O-N 2.66Å; F361-E364 PolarHBondContact O-N 2.87Å; F361-V365 HydrophobicContact CE1-CG1 4.23Å; F361-V365 HydrophobicContact CE2-CB 4.19Å; F361-V365 HydrophobicContact CE2-CG2 4.27Å; F361-V365 HydrophobicContact CZ-CB 4.15Å; F361-V365 HydrophobicContact CZ-CG1 4.26Å; F361-V365 HydrophobicContact CZ-CG2 4.11Å; F361-V365 VanDerWaalsContact O-CB 3.29Å; F361-V365 WeakPolarHBondContact O-CB 3.46Å; F361-V365 WeakPolarHBondContact O-CG1 3.43Å; F361-V365 PolarHBondContact O-N 2.91Å; F361-Y378 AromaticContact CD2-CD1 3.86Å; F361-Y378 HydrophobicContact CD2-CD1 3.86Å; F361-Y378 AromaticContact CD2-CE1 3.46Å; F361-Y378 HydrophobicContact CD2-CE1 3.46Å; F361-Y378 VanDerWaalsContact CD2-CE1 3.46Å; F361-Y378 AromaticContact CE2-CD1 3.65Å; F361-Y378 HydrophobicContact CE2-CD1 3.65Å; F361-Y378 AromaticContact CE2-CE1 3.78Å; F361-Y378 HydrophobicContact CE2-CE1 3.78Å; F361-Y378 HydrophobicContact CG-CE1 4.47Å; F361-L379 HydrophobicContact CE2-CB 4.35Å; F361-L379 HydrophobicContact CE2-CD1 4.3Å; F361-L379 HydrophobicContact CZ-CB 4.3Å; F361-L379 HydrophobicContact CZ-CD1 3.83Å; F361-F382 HydrophobicContact CB-CD2 3.78Å; F361-F382 HydrophobicContact CB-CE2 3.71Å; F361-F382 HydrophobicContact CB-CG 4.25Å; F361-F382 HydrophobicContact CB-CZ 4.13Å; F361-F382 HydrophobicContact CD2-CB 3.65Å; F361-F382 AromaticContact CD2-CD1 3.98Å; F361-F382 HydrophobicContact CD2-CD1 3.98Å; F361-F382 AromaticContact CD2-CD2 3.89Å; F361-F382 HydrophobicContact CD2-CD2 3.89Å; F361-F382 AromaticContact CD2-CG 3.56Å; F361-F382 HydrophobicContact CD2-CG 3.56Å; F361-F382 HydrophobicContact CE2-CB 3.93Å; F361-F382 HydrophobicContact CE2-CD1 4.3Å; F361-F382 HydrophobicContact CE2-CG 4.13Å; F361-F382 HydrophobicContact CG-CD1 4.1Å; F361-F382 AromaticContact CG-CD2 3.98Å; F361-F382 HydrophobicContact CG-CD2 3.98Å; F361-F382 HydrophobicContact CG-CE1 4.3Å; F361-F382 HydrophobicContact CG-CE2 4.19Å; F361-F382 AromaticContact CG-CG 3.93Å; F361-F382 HydrophobicContact CG-CG 3.93Å; F361-F382 HydrophobicContact CG-CZ 4.34Å
362I94.3Very high89.2Confident1 Ų160.9 Ų60.91%0.00533%0.329CS..Hα-helixtrans-65.7-47.1179.6-73.2177.6000110.7I192 L201 H202 I205 V358 R359 S360 E364 F366I192-I362 HydrophobicContact CD1-CG2 3.16Å; L201-I362 HydrophobicContact CG-CD1 4.45Å; H202-I362 HydrophobicContact CB-CD1 3.81Å; I205-I362 HydrophobicContact CD1-CD1 4.09Å; I205-I362 HydrophobicContact CD1-CG1 4.48Å; V358-I362 HydrophobicContact CG1-CD1 3.79Å; V358-I362 HydrophobicContact CG1-CG1 4.18Å; V358-I362 WeakPolarHBondContact O-CB 3.35Å; V358-I362 WeakPolarHBondContact O-CG1 3.47Å; V358-I362 PolarHBondContact O-N 3.14Å; R359-I362 PolarHBondContact O-N 2.86Å; S360-I362 PolarHBondContact O-N 2.86Å; I362-E364 PolarHBondContact O-N 2.64Å; I362-F366 HydrophobicContact CG2-CD2 4.32Å; I362-F366 HydrophobicContact CG2-CE2 4.37Å; I362-F366 WeakPolarHBondContact O-CD2 3.39Å
363D91.9Very high89.8Confident71 Ų7159.1 Ų59.138%0.3833%0.331SS..Hα-helixtrans-59.5-34.2179.9-69.4-26.4000111.4R359 S360 L367R359-D363 IonicContact CZ-OD1 2.77Å; R359-D363 VanDerWaalsContact CZ-OD1 3.25Å; R359-D363 IonicContact CZ-OD2 3.26Å; R359-D363 IonicContact NE-OD1 2.65Å; R359-D363 PolarHBondContact NE-OD1 3.08Å; R359-D363 IonicContact NE-OD2 3.55Å; R359-D363 PolarHBondContact NE-OD2 3.46Å; R359-D363 IonicContact NH2-OD1 2.96Å; R359-D363 PolarHBondContact NH2-OD1 2.58Å; R359-D363 IonicContact NH2-OD2 2.69Å; R359-D363 PolarHBondContact NH2-OD2 3.49Å; R359-D363 WeakPolarHBondContact O-CB 3.29Å; R359-D363 VanDerWaalsContact O-CG 3.26Å; R359-D363 PolarHBondContact O-N 2.71Å; S360-D363 PolarHBondContact O-N 2.93Å; D363-L367 WeakPolarHBondContact O-CG 3.29Å
364E93.6Very high90.4Very high85 Ų8559.7 Ų59.740%0.39734%0.336SS..Hα-helixtrans-88-37.6-177.9-70.1173.2-144.900114.1S360 F361 I362 F366 L367 Y378S360-E364 WeakPolarHBondContact O-CB 3.47Å; S360-E364 VanDerWaalsContact O-CG 3.3Å; S360-E364 WeakPolarHBondContact O-CG 3.44Å; S360-E364 PolarHBondContact O-N 3.14Å; S360-E364 PolarHBondContact OG-OE1 3.08Å; F361-E364 PolarHBondContact O-N 2.87Å; I362-E364 PolarHBondContact O-N 2.64Å; E364-F366 VanDerWaalsContact C-N 3.31Å; E364-F366 PolarHBondContact O-N 2.86Å; E364-L367 WeakPolarHBondContact O-CB 3.5Å; E364-L367 PolarHBondContact O-N 2.86Å; E364-L367 VanDerWaalsContact O-N 3.17Å; E364-Y378 HydrophobicContact CB-CE1 4.1Å; E364-Y378 WeakPolarHBondContact CB-OH 3.38Å; E364-Y378 VanDerWaalsContact CD-OH 3.29Å; E364-Y378 PolarHBondContact OE2-OH 2.83Å
365V93.6Very high90.9Very high1 Ų154.3 Ų54.31%0.00630%0.303CS..Hα-helixtrans-66.1-33.4-173.772.80000112.5L187 F361 L367 L368 R375 Y378L187-V365 HydrophobicContact CD2-CG1 4.44Å; F361-V365 HydrophobicContact CE1-CG1 4.23Å; F361-V365 HydrophobicContact CE2-CB 4.19Å; F361-V365 HydrophobicContact CE2-CG2 4.27Å; F361-V365 HydrophobicContact CZ-CB 4.15Å; F361-V365 HydrophobicContact CZ-CG1 4.26Å; F361-V365 HydrophobicContact CZ-CG2 4.11Å; F361-V365 VanDerWaalsContact O-CB 3.29Å; F361-V365 WeakPolarHBondContact O-CB 3.46Å; F361-V365 WeakPolarHBondContact O-CG1 3.43Å; F361-V365 PolarHBondContact O-N 2.91Å; V365-L367 VanDerWaalsContact C-N 3.32Å; V365-L368 WeakPolarHBondContact O-CB 3.33Å; V365-L368 PolarHBondContact O-N 3.42Å; V365-R375 HydrophobicContact CG2-CB 4.1Å; V365-R375 HydrophobicContact CG2-CG 4.04Å; V365-R375 PolarHBondContact O-NE 3.1Å; V365-Y378 HydrophobicContact CB-CD1 3.98Å; V365-Y378 HydrophobicContact CB-CE1 4.18Å; V365-Y378 HydrophobicContact CG2-CD1 4.06Å
366F91.3Very high90.9Very high23 Ų2356.3 Ų56.310%0.10132%0.317CS..THydrogen-bonded Turntrans-77-16.8178.7-76.1-84.2000113.2L187 I192 L201 I362 E364 L368 R375L187-F366 HydrophobicContact CD2-CE2 4.22Å; L187-F366 HydrophobicContact CD2-CZ 4.22Å; I192-F366 HydrophobicContact CB-CD1 4.16Å; I192-F366 HydrophobicContact CB-CD2 4.07Å; I192-F366 HydrophobicContact CB-CE1 4.18Å; I192-F366 HydrophobicContact CB-CE2 4.12Å; I192-F366 HydrophobicContact CB-CG 4.11Å; I192-F366 HydrophobicContact CB-CZ 4.16Å; I192-F366 HydrophobicContact CD1-CD2 3.84Å; I192-F366 HydrophobicContact CD1-CE2 3.58Å; I192-F366 HydrophobicContact CD1-CZ 4.22Å; I192-F366 HydrophobicContact CG1-CD2 4.37Å; I192-F366 HydrophobicContact CG1-CE2 4.04Å; I192-F366 HydrophobicContact CG1-CZ 4.19Å; L201-F366 HydrophobicContact CD2-CE2 4.04Å; L201-F366 HydrophobicContact CD2-CZ 4.04Å; I362-F366 HydrophobicContact CG2-CD2 4.32Å; I362-F366 HydrophobicContact CG2-CE2 4.37Å; I362-F366 WeakPolarHBondContact O-CD2 3.39Å; E364-F366 VanDerWaalsContact C-N 3.31Å; E364-F366 PolarHBondContact O-N 2.86Å; F366-L368 PolarHBondContact O-N 3.37Å; F366-R375 PolarHBondContact O-NH2 2.85Å
367L91.3Very high90.9Very high146 Ų14654.7 Ų54.776%0.76431%0.312SS*.THydrogen-bonded Turntrans-70-21169.8-59.1175.2000112.4D363 E364 V365D363-L367 WeakPolarHBondContact O-CG 3.29Å; E364-L367 WeakPolarHBondContact O-CB 3.5Å; E364-L367 PolarHBondContact O-N 2.86Å; E364-L367 VanDerWaalsContact O-N 3.17Å; V365-L367 VanDerWaalsContact C-N 3.32Å
368L91.2Very high90.9Very high52 Ų5255.8 Ų55.827%0.27231%0.314SS..SBendtrans-79.8140.5176.5-55.7176.2000110.1V365 F366 L374 R375 Y378V365-L368 WeakPolarHBondContact O-CB 3.33Å; V365-L368 PolarHBondContact O-N 3.42Å; F366-L368 PolarHBondContact O-N 3.37Å; L368-L374 HydrophobicContact CB-CB 4.45Å; L368-L374 HydrophobicContact CD1-CB 4.41Å; L368-R375 HydrophobicContact CB-CG 3.94Å; L368-R375 VanDerWaalsContact O-CZ 3.28Å; L368-R375 PolarHBondContact O-NE 3.32Å; L368-R375 PolarHBondContact O-NH2 2.75Å; L368-Y378 HydrophobicContact CD1-CD1 4.31Å; L368-Y378 HydrophobicContact CD1-CD2 4.46Å; L368-Y378 HydrophobicContact CD1-CG 3.92Å
369K86.4Confident90.9Very high153 Ų15356.3 Ų56.367%0.66532%0.317SS*.PPolyproline II helixtrans-64.7134.1178.4-69.1-169.9176.3-173.90111.7L372K369-L372 HydrophobicContact CB-CD1 4.24Å
370P83.3Confident90.9Very high38 Ų3855.1 Ų55.125%0.24733%0.325CS..THydrogen-bonded Turntrans-69.8166.6172.727.3-28.9000111.4D190 L372D190-P370 WeakPolarHBondContact OD1-CG 3.43Å; P370-L372 PolarHBondContact O-N 3.16Å
371G73Confident91Very high50 Ų5058.8 Ų58.852%0.51534%0.336SS..THydrogen-bonded Turntrans73.4-14.6-18000000116.1N188N188-G371 PolarHBondContact OD1-N 3.05Å
372L78.3Confident91.1Very high98 Ų9859.5 Ų59.551%0.51334%0.339SS..SBendtrans-91.7150.7166.6-60.3177.9000109.9K369 P370 L374K369-L372 HydrophobicContact CB-CD1 4.24Å; P370-L372 PolarHBondContact O-N 3.16Å; L372-L374 HydrophobicContact CB-CB 4.48Å; L372-L374 HydrophobicContact CB-CD1 4.14Å; L372-L374 HydrophobicContact CB-CG 3.98Å; L372-L374 HydrophobicContact CD1-CD1 3.88Å; L372-L374 PolarHBondContact O-N 3.39Å
373A88.2Confident91.3Very high78 Ų7861.2 Ų61.265%0.64535%0.349SS*.THydrogen-bonded Turntrans-67.715.4176.500000114.2S376 A377A373-S376 PolarHBondContact O-OG 3.29Å; A373-A377 VanDerWaalsContact O-CB 3.31Å; A373-A377 WeakPolarHBondContact O-CB 3.42Å; A373-A377 PolarHBondContact O-N 2.87Å; A373-A377 VanDerWaalsContact O-N 3.16Å
374L92.6Very high91.6Very high89 Ų8961.8 Ų61.847%0.46635%0.351SS..Hα-helixtrans-73-46.6-178.5-64.3175.8000111.7L368 L372 S376 A377 Y378L368-L374 HydrophobicContact CB-CB 4.45Å; L368-L374 HydrophobicContact CD1-CB 4.41Å; L372-L374 HydrophobicContact CB-CB 4.48Å; L372-L374 HydrophobicContact CB-CD1 4.14Å; L372-L374 HydrophobicContact CB-CG 3.98Å; L372-L374 HydrophobicContact CD1-CD1 3.88Å; L372-L374 PolarHBondContact O-N 3.39Å; L374-S376 VanDerWaalsContact C-N 3.34Å; L374-S376 PolarHBondContact O-N 3.24Å; L374-A377 PolarHBondContact O-N 3.05Å; L374-Y378 WeakPolarHBondContact O-CB 3.19Å; L374-Y378 PolarHBondContact O-N 3.05Å
375R93Very high91.7Very high5 Ų561.6 Ų61.62%0.01935%0.352CS..Hα-helixtrans-64.2-38.9-179.6-68.2-170.7-179.5-179.4-1.9111.8I182 L187 D189 D190 V365 F366 L368 L379I182-R375 HydrophobicContact CD1-CB 3.84Å; L187-R375 WeakPolarHBondContact O-CD 3.23Å; L187-R375 PolarHBondContact O-NH1 2.99Å; D189-R375 PolarHBondContact O-NH1 2.91Å; D190-R375 PolarHBondContact O-NH2 3.18Å; V365-R375 HydrophobicContact CG2-CB 4.1Å; V365-R375 HydrophobicContact CG2-CG 4.04Å; V365-R375 PolarHBondContact O-NE 3.1Å; F366-R375 PolarHBondContact O-NH2 2.85Å; L368-R375 HydrophobicContact CB-CG 3.94Å; L368-R375 VanDerWaalsContact O-CZ 3.28Å; L368-R375 PolarHBondContact O-NE 3.32Å; L368-R375 PolarHBondContact O-NH2 2.75Å; R375-L379 WeakPolarHBondContact O-CB 3.22Å; R375-L379 PolarHBondContact O-N 2.85Å
376S92.9Very high91.9Very high49 Ų4961.6 Ų61.634%0.34335%0.352SS..Hα-helixtrans-68.5-40.3175.155.10000112.6A373 L374 A380A373-S376 PolarHBondContact O-OG 3.29Å; L374-S376 VanDerWaalsContact C-N 3.34Å; L374-S376 PolarHBondContact O-N 3.24Å; S376-A380 PolarHBondContact O-N 2.84Å
377A94.8Very high92.2Very high48 Ų4864.5 Ų64.540%0.39737%0.366SS..Hα-helixtrans-64.5-42.4174.700000112.3A373 L374 A380 Q381A373-A377 VanDerWaalsContact O-CB 3.31Å; A373-A377 WeakPolarHBondContact O-CB 3.42Å; A373-A377 PolarHBondContact O-N 2.87Å; A373-A377 VanDerWaalsContact O-N 3.16Å; L374-A377 PolarHBondContact O-N 3.05Å; A377-A380 PolarHBondContact O-N 2.92Å; A377-Q381 WeakPolarHBondContact O-CG 3.4Å; A377-Q381 PolarHBondContact O-N 2.83Å
378Y96.1Very high92.4Very high52 Ų5265 Ų6520%0.20436%0.358CS..Hα-helixtrans-66-42.8177.6-173.7-103.8000111.7F361 E364 V365 L368 L374 A380 Q381 F382F361-Y378 AromaticContact CD2-CD1 3.86Å; F361-Y378 HydrophobicContact CD2-CD1 3.86Å; F361-Y378 AromaticContact CD2-CE1 3.46Å; F361-Y378 HydrophobicContact CD2-CE1 3.46Å; F361-Y378 VanDerWaalsContact CD2-CE1 3.46Å; F361-Y378 AromaticContact CE2-CD1 3.65Å; F361-Y378 HydrophobicContact CE2-CD1 3.65Å; F361-Y378 AromaticContact CE2-CE1 3.78Å; F361-Y378 HydrophobicContact CE2-CE1 3.78Å; F361-Y378 HydrophobicContact CG-CE1 4.47Å; E364-Y378 HydrophobicContact CB-CE1 4.1Å; E364-Y378 WeakPolarHBondContact CB-OH 3.38Å; E364-Y378 VanDerWaalsContact CD-OH 3.29Å; E364-Y378 PolarHBondContact OE2-OH 2.83Å; V365-Y378 HydrophobicContact CB-CD1 3.98Å; V365-Y378 HydrophobicContact CB-CE1 4.18Å; V365-Y378 HydrophobicContact CG2-CD1 4.06Å; L368-Y378 HydrophobicContact CD1-CD1 4.31Å; L368-Y378 HydrophobicContact CD1-CD2 4.46Å; L368-Y378 HydrophobicContact CD1-CG 3.92Å; L374-Y378 WeakPolarHBondContact O-CB 3.19Å; L374-Y378 PolarHBondContact O-N 3.05Å; Y378-A380 VanDerWaalsContact C-N 3.33Å; Y378-A380 PolarHBondContact O-N 2.86Å; Y378-Q381 WeakPolarHBondContact O-CB 3.14Å; Y378-Q381 PolarHBondContact O-N 3.19Å; Y378-F382 PolarHBondContact O-N 3.07Å
379L96.2Very high92.7Very high11 Ų1164.4 Ų64.46%0.05835%0.353CS..Hα-helixtrans-55.9-45.9170.1171.768.3000112L187 L234 F235 F361 R375 Q381 F382 L383L187-L379 HydrophobicContact CD1-CD2 4.49Å; L234-L379 HydrophobicContact CB-CD2 3.81Å; L234-L379 HydrophobicContact CD1-CD2 4.1Å; L234-L379 HydrophobicContact CD2-CD2 4.23Å; L234-L379 HydrophobicContact CG-CD2 4.29Å; F235-L379 HydrophobicContact CD1-CD1 4.1Å; F235-L379 HydrophobicContact CE1-CD1 3.68Å; F235-L379 HydrophobicContact CZ-CD1 3.99Å; F361-L379 HydrophobicContact CE2-CB 4.35Å; F361-L379 HydrophobicContact CE2-CD1 4.3Å; F361-L379 HydrophobicContact CZ-CB 4.3Å; F361-L379 HydrophobicContact CZ-CD1 3.83Å; R375-L379 WeakPolarHBondContact O-CB 3.22Å; R375-L379 PolarHBondContact O-N 2.85Å; L379-Q381 VanDerWaalsContact C-N 3.29Å; L379-Q381 PolarHBondContact O-N 3.02Å; L379-F382 WeakPolarHBondContact O-CB 3.49Å; L379-F382 PolarHBondContact O-N 2.83Å; L379-L383 HydrophobicContact CD1-CD1 4.21Å; L379-L383 HydrophobicContact CD1-CG 4.19Å; L379-L383 HydrophobicContact CG-CD1 4.18Å; L379-L383 WeakPolarHBondContact O-CG 3.32Å; L379-L383 PolarHBondContact O-N 3.22Å
380A96.1Very high93.2Very high57 Ų5757.1 Ų57.147%0.47132%0.321SS..Hα-helixtrans-61.9-37.6178.700000112.2S376 A377 Y378 L384S376-A380 PolarHBondContact O-N 2.84Å; A377-A380 PolarHBondContact O-N 2.92Å; Y378-A380 VanDerWaalsContact C-N 3.33Å; Y378-A380 PolarHBondContact O-N 2.86Å; A380-L384 WeakPolarHBondContact O-CB 3.48Å; A380-L384 PolarHBondContact O-N 2.87Å
381Q97.4Very high93.9Very high127 Ų12759.3 Ų59.359%0.59333%0.33SS*.Hα-helixtrans-65.9-42174.1-70.1176.62.400112.1A377 Y378 L379 L384 L385A377-Q381 WeakPolarHBondContact O-CG 3.4Å; A377-Q381 PolarHBondContact O-N 2.83Å; Y378-Q381 WeakPolarHBondContact O-CB 3.14Å; Y378-Q381 PolarHBondContact O-N 3.19Å; L379-Q381 VanDerWaalsContact C-N 3.29Å; L379-Q381 PolarHBondContact O-N 3.02Å; Q381-L384 PolarHBondContact O-N 3.27Å; Q381-L385 PolarHBondContact O-N 3.2Å
382F98Very high95.1Very high15 Ų1560.4 Ų60.47%0.06633%0.327CS..Hα-helixtrans-59.5-48.3175.1175.8-107000111.7L209 F235 L357 V358 F361 Y378 L379 L384 L385 L386L209-F382 HydrophobicContact CD1-CE1 4.36Å; F235-F382 HydrophobicContact CD1-CD1 4.42Å; F235-F382 HydrophobicContact CD1-CE1 4.14Å; F235-F382 HydrophobicContact CE1-CD1 4.04Å; F235-F382 AromaticContact CE1-CE1 3.81Å; F235-F382 HydrophobicContact CE1-CE1 3.81Å; L357-F382 HydrophobicContact CB-CE2 4.34Å; V358-F382 HydrophobicContact CG2-CZ 4.28Å; F361-F382 HydrophobicContact CB-CD2 3.78Å; F361-F382 HydrophobicContact CB-CE2 3.71Å; F361-F382 HydrophobicContact CB-CG 4.25Å; F361-F382 HydrophobicContact CB-CZ 4.13Å; F361-F382 HydrophobicContact CD2-CB 3.65Å; F361-F382 AromaticContact CD2-CD1 3.98Å; F361-F382 HydrophobicContact CD2-CD1 3.98Å; F361-F382 AromaticContact CD2-CD2 3.89Å; F361-F382 HydrophobicContact CD2-CD2 3.89Å; F361-F382 AromaticContact CD2-CG 3.56Å; F361-F382 HydrophobicContact CD2-CG 3.56Å; F361-F382 HydrophobicContact CE2-CB 3.93Å; F361-F382 HydrophobicContact CE2-CD1 4.3Å; F361-F382 HydrophobicContact CE2-CG 4.13Å; F361-F382 HydrophobicContact CG-CD1 4.1Å; F361-F382 AromaticContact CG-CD2 3.98Å; F361-F382 HydrophobicContact CG-CD2 3.98Å; F361-F382 HydrophobicContact CG-CE1 4.3Å; F361-F382 HydrophobicContact CG-CE2 4.19Å; F361-F382 AromaticContact CG-CG 3.93Å; F361-F382 HydrophobicContact CG-CG 3.93Å; F361-F382 HydrophobicContact CG-CZ 4.34Å; Y378-F382 PolarHBondContact O-N 3.07Å; L379-F382 WeakPolarHBondContact O-CB 3.49Å; L379-F382 PolarHBondContact O-N 2.83Å; F382-L384 VanDerWaalsContact C-N 3.34Å; F382-L384 PolarHBondContact O-N 2.95Å; F382-L385 WeakPolarHBondContact O-CB 3.47Å; F382-L385 PolarHBondContact O-N 3.48Å; F382-L386 HydrophobicContact CD1-CD1 4.2Å; F382-L386 HydrophobicContact CE1-CD1 3.56Å; F382-L386 HydrophobicContact CE1-CG 4.26Å; F382-L386 HydrophobicContact CE2-CD1 4.46Å; F382-L386 HydrophobicContact CE2-CD2 4.46Å; F382-L386 HydrophobicContact CE2-CG 4.4Å; F382-L386 HydrophobicContact CZ-CD1 3.72Å; F382-L386 HydrophobicContact CZ-CD2 4.32Å; F382-L386 HydrophobicContact CZ-CG 4.13Å; F382-L386 PolarHBondContact O-N 2.89Å
383L97.6Very high95.9Very high38 Ų3855.7 Ų55.720%0.19930%0.303CS..Hα-helixtrans-62.8-39.6177-65.3175.4000112.4L234 F235 L379 L385 L386 H387L234-L383 WeakPolarHBondContact O-CD1 3.5Å; F235-L383 HydrophobicContact CB-CD2 4.21Å; F235-L383 HydrophobicContact CD1-CD2 3.81Å; F235-L383 HydrophobicContact CG-CD2 4.42Å; L379-L383 HydrophobicContact CD1-CD1 4.21Å; L379-L383 HydrophobicContact CD1-CG 4.19Å; L379-L383 HydrophobicContact CG-CD1 4.18Å; L379-L383 WeakPolarHBondContact O-CG 3.32Å; L379-L383 PolarHBondContact O-N 3.22Å; L383-L385 VanDerWaalsContact C-N 3.33Å; L383-L385 PolarHBondContact O-N 2.84Å; L383-L386 PolarHBondContact O-N 2.67Å; L383-H387 WeakPolarHBondContact O-CB 3.27Å; L383-H387 PolarHBondContact O-N 2.79Å
384L97.8Very high96.3Very high83 Ų8352.4 Ų52.444%0.43527%0.274SS..Hα-helixtrans-62.6-40.1175.3179.662.1000111.8A380 Q381 F382 H387 R388A380-L384 WeakPolarHBondContact O-CB 3.48Å; A380-L384 PolarHBondContact O-N 2.87Å; Q381-L384 PolarHBondContact O-N 3.27Å; F382-L384 VanDerWaalsContact C-N 3.34Å; F382-L384 PolarHBondContact O-N 2.95Å; L384-H387 PolarHBondContact O-N 3.4Å; L384-R388 HydrophobicContact CD1-CG 4.4Å; L384-R388 WeakPolarHBondContact O-CB 3.49Å; L384-R388 VanDerWaalsContact O-CG 3.3Å; L384-R388 WeakPolarHBondContact O-CG 3.27Å; L384-R388 PolarHBondContact O-N 3.3Å
385L97.2Very high96.4Very high81 Ų8152.8 Ų52.842%0.42427%0.272SS..Hα-helixtrans-62.7-47.5175.6178.265.4000111.2Q381 F382 L383 H387 R388 K389Q381-L385 PolarHBondContact O-N 3.2Å; F382-L385 WeakPolarHBondContact O-CB 3.47Å; F382-L385 PolarHBondContact O-N 3.48Å; L383-L385 VanDerWaalsContact C-N 3.33Å; L383-L385 PolarHBondContact O-N 2.84Å; L385-H387 VanDerWaalsContact C-N 3.34Å; L385-H387 PolarHBondContact O-N 3.47Å; L385-R388 PolarHBondContact O-N 3.15Å; L385-K389 PolarHBondContact O-N 3.44Å
386L97.5Very high96.5Very high0 Ų055.3 Ų55.30%028%0.282CS..Hα-helixtrans-58.7-45.8176.9-69.2-176000111.5L209 L357 F382 L383 R388 K389 A390 I428 M432L209-L386 HydrophobicContact CD1-CD1 4.14Å; L209-L386 HydrophobicContact CD2-CD1 4.46Å; L357-L386 HydrophobicContact CD1-CD2 3.98Å; F382-L386 HydrophobicContact CD1-CD1 4.2Å; F382-L386 HydrophobicContact CE1-CD1 3.56Å; F382-L386 HydrophobicContact CE1-CG 4.26Å; F382-L386 HydrophobicContact CE2-CD1 4.46Å; F382-L386 HydrophobicContact CE2-CD2 4.46Å; F382-L386 HydrophobicContact CE2-CG 4.4Å; F382-L386 HydrophobicContact CZ-CD1 3.72Å; F382-L386 HydrophobicContact CZ-CD2 4.32Å; F382-L386 HydrophobicContact CZ-CG 4.13Å; F382-L386 PolarHBondContact O-N 2.89Å; L383-L386 PolarHBondContact O-N 2.67Å; L386-R388 PolarHBondContact O-N 2.75Å; L386-K389 PolarHBondContact O-N 3.14Å; L386-A390 WeakPolarHBondContact O-CB 3.44Å; L386-A390 PolarHBondContact O-N 3.24Å; L386-I428 HydrophobicContact CD1-CG2 4.28Å; L386-I428 HydrophobicContact CD2-CG2 3.95Å; L386-M432 HydrophobicContact CB-CE 4.31Å
387H96.7Very high96.6Very high84 Ų8453 Ų5339%0.38927%0.266SS..Hα-helixtrans-63.5-41.7179.1-17079.7000112.3L383 L384 L385 A390 L391L383-H387 WeakPolarHBondContact O-CB 3.27Å; L383-H387 PolarHBondContact O-N 2.79Å; L384-H387 PolarHBondContact O-N 3.4Å; L385-H387 VanDerWaalsContact C-N 3.34Å; L385-H387 PolarHBondContact O-N 3.47Å; H387-A390 PolarHBondContact O-N 2.77Å; H387-L391 WeakPolarHBondContact O-CB 3.35Å; H387-L391 PolarHBondContact O-N 3.27Å
388R97.3Very high96.4Very high156 Ų15651.1 Ų51.159%0.58925%0.249SC*.Hα-helixtrans-64.8-41.3175.7-75.1174.9176.2179.7-0.1112.2L384 L385 L386 L391 T392L384-R388 HydrophobicContact CD1-CG 4.4Å; L384-R388 WeakPolarHBondContact O-CB 3.49Å; L384-R388 VanDerWaalsContact O-CG 3.3Å; L384-R388 WeakPolarHBondContact O-CG 3.27Å; L384-R388 PolarHBondContact O-N 3.3Å; L385-R388 PolarHBondContact O-N 3.15Å; L386-R388 PolarHBondContact O-N 2.75Å; R388-L391 PolarHBondContact O-N 2.99Å; R388-T392 WeakPolarHBondContact O-CB 3.32Å; R388-T392 PolarHBondContact O-N 3.47Å; R388-T392 PolarHBondContact O-OG1 3.38Å
389K97.2Very high96.3Very high41 Ų4154.6 Ų54.618%0.17827%0.271CS..Hα-helixtrans-61.4-44.4174.1-81.5-177.9171.4-93.40111L385 L386 T392 L393 L418 V429L385-K389 PolarHBondContact O-N 3.44Å; L386-K389 PolarHBondContact O-N 3.14Å; K389-T392 PolarHBondContact O-N 3.29Å; K389-L393 WeakPolarHBondContact O-CB 3.37Å; K389-L393 PolarHBondContact O-N 3.33Å; K389-L418 PolarHBondContact NZ-O 3.18Å; K389-V429 HydrophobicContact CB-CG1 3.98Å; K389-V429 HydrophobicContact CB-CG2 4.03Å; K389-V429 HydrophobicContact CD-CG2 4.35Å
390A97.2Very high96.1Very high0 Ų057.2 Ų57.20%028%0.283CS..Hα-helixtrans-62-45.3177.200000112.3L386 H387 T392 L393 L394 V429 M432 A433 L436L386-A390 WeakPolarHBondContact O-CB 3.44Å; L386-A390 PolarHBondContact O-N 3.24Å; H387-A390 PolarHBondContact O-N 2.77Å; A390-T392 PolarHBondContact O-N 3.3Å; A390-L393 WeakPolarHBondContact O-CB 3.46Å; A390-L393 PolarHBondContact O-N 2.92Å; A390-L394 WeakPolarHBondContact O-CG 3.48Å; A390-L394 PolarHBondContact O-N 3.33Å; A390-V429 HydrophobicContact CB-CG1 4.31Å; A390-M432 HydrophobicContact CB-CB 3.84Å; A390-A433 HydrophobicContact CB-CB 4.21Å; A390-L436 HydrophobicContact CB-CD1 4.25Å
391L97.1Very high95.8Very high83 Ų8354.6 Ų54.644%0.43526%0.261SS..Hα-helixtrans-64.4-39.9176.8-174.963.9000112.3H387 R388 L394 K395H387-L391 WeakPolarHBondContact O-CB 3.35Å; H387-L391 PolarHBondContact O-N 3.27Å; R388-L391 PolarHBondContact O-N 2.99Å; L391-L394 PolarHBondContact O-N 3.24Å; L391-K395 WeakPolarHBondContact O-CG 3.35Å; L391-K395 PolarHBondContact O-N 3.49Å
392T97.3Very high95.5Very high73 Ų7353.5 Ų53.545%0.44826%0.256SS..Hα-helixtrans-65.4-41.3177.1-53.50000110.8R388 K389 A390 K395 Y396 L418R388-T392 WeakPolarHBondContact O-CB 3.32Å; R388-T392 PolarHBondContact O-N 3.47Å; R388-T392 PolarHBondContact O-OG1 3.38Å; K389-T392 PolarHBondContact O-N 3.29Å; A390-T392 PolarHBondContact O-N 3.3Å; T392-K395 PolarHBondContact O-N 3.06Å; T392-Y396 WeakPolarHBondContact O-CB 2.94Å; T392-Y396 PolarHBondContact O-N 3.36Å; T392-L418 HydrophobicContact CG2-CD2 3.64Å
393L96.6Very high94.9Very high0 Ų057.7 Ų57.70%027%0.274CS..Hα-helixtrans-59.7-45.9174.2-178148.7000111.4K389 A390 K395 Y396 I397 L414 L418 L420 L426 V429 M430 A433 L440K389-L393 WeakPolarHBondContact O-CB 3.37Å; K389-L393 PolarHBondContact O-N 3.33Å; A390-L393 WeakPolarHBondContact O-CB 3.46Å; A390-L393 PolarHBondContact O-N 2.92Å; L393-K395 VanDerWaalsContact C-N 3.34Å; L393-K395 PolarHBondContact O-N 2.86Å; L393-Y396 PolarHBondContact O-N 3.03Å; L393-I397 HydrophobicContact CD2-CD1 3.52Å; L393-I397 HydrophobicContact CG-CD1 4.21Å; L393-I397 WeakPolarHBondContact O-CG1 3.43Å; L393-I397 PolarHBondContact O-N 3.02Å; L393-L414 HydrophobicContact CD1-CD2 3.95Å; L393-L414 HydrophobicContact CG-CD1 4.26Å; L393-L414 HydrophobicContact CG-CD2 4.38Å; L393-L418 HydrophobicContact CB-CD1 3.88Å; L393-L418 HydrophobicContact CG-CD1 4.32Å; L393-L420 HydrophobicContact CD1-CD1 4.02Å; L393-L426 HydrophobicContact CD1-CD1 4.35Å; L393-V429 HydrophobicContact CB-CG1 4.22Å; L393-V429 HydrophobicContact CD1-CG1 3.87Å; L393-M430 HydrophobicContact CD1-CG 4.2Å; L393-M430 HydrophobicContact CD1-SD 3.6Å; L393-M430 VanDerWaalsContact CD1-SD 3.6Å; L393-M430 HydrophobicContact CD2-SD 3.57Å; L393-M430 VanDerWaalsContact CD2-SD 3.57Å; L393-M430 HydrophobicContact CG-SD 4.2Å; L393-A433 HydrophobicContact CD2-CB 4Å; L393-L440 HydrophobicContact CD2-CD2 3.81Å
394L95.4Very high94.3Very high8 Ų856.5 Ų56.54%0.04227%0.271CS..Hα-helixtrans-58.4-45.9175.9-74.8170.7000111.6A390 L391 I397 E398 A433 L436 R437 L440A390-L394 WeakPolarHBondContact O-CG 3.48Å; A390-L394 PolarHBondContact O-N 3.33Å; L391-L394 PolarHBondContact O-N 3.24Å; L394-I397 PolarHBondContact O-N 3.41Å; L394-E398 WeakPolarHBondContact O-CB 3.46Å; L394-E398 VanDerWaalsContact O-CG 3.32Å; L394-E398 WeakPolarHBondContact O-CG 3.39Å; L394-E398 PolarHBondContact O-N 3.29Å; L394-A433 HydrophobicContact CD1-CB 4.39Å; L394-A433 HydrophobicContact CD2-CB 4.1Å; L394-A433 HydrophobicContact CG-CB 3.97Å; L394-L436 HydrophobicContact CD1-CB 3.99Å; L394-L436 HydrophobicContact CD1-CD1 4.24Å; L394-R437 HydrophobicContact CD2-CB 4.11Å; L394-L440 HydrophobicContact CD2-CD1 4.02Å; L394-L440 HydrophobicContact CD2-CD2 3.69Å; L394-L440 HydrophobicContact CD2-CG 4.39Å
395K95.4Very high93.6Very high98 Ų9860.3 Ų60.343%0.42628%0.284SS..Hα-helixtrans-65.1-41.2179.1-69.8-72.8160.4-156.80112.5L391 T392 L393 I397 E398 D399L391-K395 WeakPolarHBondContact O-CG 3.35Å; L391-K395 PolarHBondContact O-N 3.49Å; T392-K395 PolarHBondContact O-N 3.06Å; L393-K395 VanDerWaalsContact C-N 3.34Å; L393-K395 PolarHBondContact O-N 2.86Å; K395-I397 VanDerWaalsContact C-N 3.35Å; K395-I397 PolarHBondContact O-N 3.32Å; K395-E398 WeakPolarHBondContact CD-OE2 3.28Å; K395-E398 WeakPolarHBondContact CE-OE2 3.43Å; K395-E398 IonicContact NZ-OE1 2.62Å; K395-E398 IonicContact NZ-OE2 3.02Å; K395-E398 PolarHBondContact NZ-OE2 3.34Å; K395-E398 WeakPolarHBondContact O-CB 3.49Å; K395-E398 PolarHBondContact O-N 3.15Å; K395-D399 PolarHBondContact O-N 3.29Å
396Y95.8Very high93.1Very high57 Ų5761.5 Ų61.522%0.22429%0.286CS..Hα-helixtrans-57.9-47.9175.3-168.2-77.7000111.4T392 L393 D399 E400 N413 L414 D417T392-Y396 WeakPolarHBondContact O-CB 2.94Å; T392-Y396 PolarHBondContact O-N 3.36Å; L393-Y396 PolarHBondContact O-N 3.03Å; Y396-D399 PolarHBondContact O-N 3.4Å; Y396-E400 VanDerWaalsContact CE1-OE2 3.32Å; Y396-E400 WeakPolarHBondContact CE1-OE2 3.43Å; Y396-E400 WeakPolarHBondContact O-CB 3.35Å; Y396-E400 PolarHBondContact O-N 2.58Å; Y396-N413 WeakPolarHBondContact OH-CB 3.4Å; Y396-L414 HydrophobicContact CD1-CB 4.1Å; Y396-L414 HydrophobicContact CD1-CD1 3.82Å; Y396-L414 HydrophobicContact CD1-CG 4.05Å; Y396-L414 HydrophobicContact CE1-CB 3.78Å; Y396-L414 HydrophobicContact CE1-CD1 4.31Å; Y396-L414 HydrophobicContact CE1-CG 4.25Å; Y396-L414 HydrophobicContact CG-CD1 4.48Å; Y396-D417 HydrophobicContact CE2-CB 4.14Å; Y396-D417 WeakPolarHBondContact CE2-OD2 3.31Å; Y396-D417 PolarHBondContact OH-OD2 2.86Å
397I93.6Very high92.6Very high1 Ų165.5 Ų65.51%0.00531%0.312CS..Hα-helixtrans-66.9-42.3179.1-65.1170.7000111L393 L394 K395 D399 T401 F408 L414 L440 F443 V444L393-I397 HydrophobicContact CD2-CD1 3.52Å; L393-I397 HydrophobicContact CG-CD1 4.21Å; L393-I397 WeakPolarHBondContact O-CG1 3.43Å; L393-I397 PolarHBondContact O-N 3.02Å; L394-I397 PolarHBondContact O-N 3.41Å; K395-I397 VanDerWaalsContact C-N 3.35Å; K395-I397 PolarHBondContact O-N 3.32Å; I397-D399 PolarHBondContact O-N 3.14Å; I397-T401 HydrophobicContact CG2-CG2 4.3Å; I397-T401 WeakPolarHBondContact O-CB 3.42Å; I397-T401 WeakPolarHBondContact O-CG2 3.5Å; I397-T401 PolarHBondContact O-N 2.81Å; I397-T401 PolarHBondContact O-OG1 3.11Å; I397-F408 HydrophobicContact CB-CD2 4.44Å; I397-F408 HydrophobicContact CB-CE2 4.44Å; I397-F408 HydrophobicContact CG1-CD2 4.12Å; I397-F408 HydrophobicContact CG1-CE2 3.77Å; I397-F408 HydrophobicContact CG1-CZ 4.17Å; I397-F408 HydrophobicContact CG2-CD2 4.09Å; I397-L414 HydrophobicContact CD1-CD1 4.05Å; I397-L414 HydrophobicContact CG1-CD1 3.72Å; I397-L440 HydrophobicContact CD1-CD1 3.86Å; I397-L440 HydrophobicContact CD1-CD2 4.43Å; I397-L440 HydrophobicContact CD1-CG 4.41Å; I397-L440 HydrophobicContact CG2-CD1 4.27Å; I397-F443 HydrophobicContact CG2-CD1 4.2Å; I397-F443 HydrophobicContact CG2-CE1 3.88Å; I397-V444 HydrophobicContact CD1-CG2 3.81Å
398E91.8Very high92.2Very high9 Ų962.5 Ų62.54%0.04230%0.297CS..Hα-helixtrans-55.3-49.7175.6-82.3174.7-165.200111.8L394 K395 Q402 K403 R437 F462L394-E398 WeakPolarHBondContact O-CB 3.46Å; L394-E398 VanDerWaalsContact O-CG 3.32Å; L394-E398 WeakPolarHBondContact O-CG 3.39Å; L394-E398 PolarHBondContact O-N 3.29Å; K395-E398 WeakPolarHBondContact CD-OE2 3.28Å; K395-E398 WeakPolarHBondContact CE-OE2 3.43Å; K395-E398 IonicContact NZ-OE1 2.62Å; K395-E398 IonicContact NZ-OE2 3.02Å; K395-E398 PolarHBondContact NZ-OE2 3.34Å; K395-E398 WeakPolarHBondContact O-CB 3.49Å; K395-E398 PolarHBondContact O-N 3.15Å; E398-Q402 PolarHBondContact O-N 2.95Å; E398-Q402 VanDerWaalsContact O-N 3.11Å; E398-K403 PolarHBondContact O-N 3.29Å; E398-R437 IonicContact OE1-CZ 2.6Å; E398-R437 IonicContact OE1-NH1 2.68Å; E398-R437 PolarHBondContact OE1-NH1 3.12Å; E398-R437 IonicContact OE1-NH2 3.1Å; E398-R437 PolarHBondContact OE1-NH2 2.92Å; E398-F462 HydrophobicContact CG-CD1 3.78Å; E398-F462 HydrophobicContact CG-CE1 4.04Å
399D92.8Very high91.8Very high125 Ų12565.4 Ų65.467%0.66831%0.308SS*.Hα-helixtrans-70-43-175.3-70.5-21.9000111.4K395 Y396 I397 T401 Q402K395-D399 PolarHBondContact O-N 3.29Å; Y396-D399 PolarHBondContact O-N 3.4Å; I397-D399 PolarHBondContact O-N 3.14Å; D399-T401 VanDerWaalsContact C-N 3.34Å; D399-T401 PolarHBondContact O-N 3.47Å; D399-Q402 PolarHBondContact O-N 3.26Å
400E91.9Very high91.4Very high66 Ų6664.3 Ų64.331%0.30831%0.307SS..Hα-helixtrans-63.8-39.9178.8-171.4-174.9144.300112.2Y396 F408 A410Y396-E400 VanDerWaalsContact CE1-OE2 3.32Å; Y396-E400 WeakPolarHBondContact CE1-OE2 3.43Å; Y396-E400 WeakPolarHBondContact O-CB 3.35Å; Y396-E400 PolarHBondContact O-N 2.58Å; E400-F408 WeakPolarHBondContact OE2-CE2 3.46Å; E400-A410 VanDerWaalsContact CD-CB 3.41Å; E400-A410 WeakPolarHBondContact OE1-CA 3.15Å; E400-A410 WeakPolarHBondContact OE1-CB 3.2Å; E400-A410 PolarHBondContact OE1-N 3.27Å; E400-A410 VanDerWaalsContact OE2-CB 3.31Å; E400-A410 WeakPolarHBondContact OE2-CB 3.32Å
401T90.7Very high91.1Very high1 Ų166.9 Ų66.91%0.00632%0.321CS..Hα-helixtrans-90.9-0.2-174.863.10000114.1I397 D399 K403 G404 K405 K406 F408 F443I397-T401 HydrophobicContact CG2-CG2 4.3Å; I397-T401 WeakPolarHBondContact O-CB 3.42Å; I397-T401 WeakPolarHBondContact O-CG2 3.5Å; I397-T401 PolarHBondContact O-N 2.81Å; I397-T401 PolarHBondContact O-OG1 3.11Å; D399-T401 VanDerWaalsContact C-N 3.34Å; D399-T401 PolarHBondContact O-N 3.47Å; T401-K403 VanDerWaalsContact C-N 3.34Å; T401-G404 PolarHBondContact OG1-N 3.22Å; T401-K405 PolarHBondContact O-N 3.07Å; T401-K405 VanDerWaalsContact O-N 3.12Å; T401-K406 VanDerWaalsContact CB-O 3.25Å; T401-K406 WeakPolarHBondContact CB-O 3.34Å; T401-K406 WeakPolarHBondContact CG2-O 3.11Å; T401-K406 PolarHBondContact O-N 3.08Å; T401-F408 HydrophobicContact CG2-CB 3.82Å; T401-F408 HydrophobicContact CG2-CD2 3.9Å; T401-F408 HydrophobicContact CG2-CG 4.38Å; T401-F443 HydrophobicContact CG2-CE1 3.75Å; T401-F443 HydrophobicContact CG2-CZ 3.79Å
402Q89.8Confident90.9Very high105 Ų10573.2 Ų73.249%0.49134%0.339SS..THydrogen-bonded Turntrans51.754.9-169.4-59.7-178.5-24.400110.9E398 D399 K405E398-Q402 PolarHBondContact O-N 2.95Å; E398-Q402 VanDerWaalsContact O-N 3.11Å; D399-Q402 PolarHBondContact O-N 3.26Å; Q402-K405 HydrophobicContact CB-CB 4.33Å; Q402-K405 HydrophobicContact CB-CD 4.46Å; Q402-K405 VanDerWaalsContact O-CG 3.3Å; Q402-K405 WeakPolarHBondContact O-CG 3.48Å; Q402-K405 PolarHBondContact O-N 2.91Å
403K86.3Confident90.7Very high102 Ų10274 Ų7444%0.44334%0.34SS..THydrogen-bonded Turntrans59.652.1179.9-75.7159.6154.5-840110.6E398 T401 K405 F462E398-K403 PolarHBondContact O-N 3.29Å; T401-K403 VanDerWaalsContact C-N 3.34Å; K403-K405 PolarHBondContact O-N 3.12Å; K403-K405 VanDerWaalsContact O-N 3.13Å; K403-F462 VanDerWaalsContact C-CB 3.42Å; K403-F462 VanDerWaalsContact CA-CB 3.46Å; K403-F462 HydrophobicContact CB-CB 3.34Å; K403-F462 HydrophobicContact CB-CG 4.25Å; K403-F462 HydrophobicContact CG-CB 3.89Å; K403-F462 PolarHBondContact NZ-O 3.49Å; K403-F462 PolarHBondContact NZ-OXT 3.17Å; K403-F462 VanDerWaalsContact O-CB 3.28Å; K403-F462 WeakPolarHBondContact O-CB 3.3Å; K403-F462 WeakPolarHBondContact O-CD2 3.2Å
404G84.4Confident90.6Very high13 Ų1374 Ų7413%0.13434%0.34CS..THydrogen-bonded Turntrans75.8-4.2175.200000116.7T401 K406T401-G404 PolarHBondContact OG1-N 3.22Å; G404-K406 PolarHBondContact O-N 2.96Å
405K84.4Confident90.5Very high163 Ų16375.6 Ų75.671%0.70935%0.347SS*.THydrogen-bonded Turntrans-62.3-26.3178.8-69.9179.2-177.7-179.60113.3T401 Q402 K403T401-K405 PolarHBondContact O-N 3.07Å; T401-K405 VanDerWaalsContact O-N 3.12Å; Q402-K405 HydrophobicContact CB-CB 4.33Å; Q402-K405 HydrophobicContact CB-CD 4.46Å; Q402-K405 VanDerWaalsContact O-CG 3.3Å; Q402-K405 WeakPolarHBondContact O-CG 3.48Å; Q402-K405 PolarHBondContact O-N 2.91Å; K403-K405 PolarHBondContact O-N 3.12Å; K403-K405 VanDerWaalsContact O-N 3.13Å
406K86.9Confident90.5Very high107 Ų10773.5 Ų73.547%0.46535%0.348SS..SBendtrans-119.3146.8177.9-63.7177.8-175.8172.10110.1T401 G404 F443T401-K406 VanDerWaalsContact CB-O 3.25Å; T401-K406 WeakPolarHBondContact CB-O 3.34Å; T401-K406 WeakPolarHBondContact CG2-O 3.11Å; T401-K406 PolarHBondContact O-N 3.08Å; G404-K406 PolarHBondContact O-N 2.96Å; K406-F443 WeakPolarHBondContact O-CZ 3.4Å
407P86.8Confident90.4Very high84 Ų8476 Ų7655%0.54537%0.365SS..  trans-63.3141.4173.127.8-34.4000110.5
408F87.5Confident90.4Very high20 Ų2077.2 Ų77.29%0.08837%0.372CS..  trans-70.6134.5175-175.4-106.4000111.1I397 E400 T401 L411 L414 F443 V444I397-F408 HydrophobicContact CB-CD2 4.44Å; I397-F408 HydrophobicContact CB-CE2 4.44Å; I397-F408 HydrophobicContact CG1-CD2 4.12Å; I397-F408 HydrophobicContact CG1-CE2 3.77Å; I397-F408 HydrophobicContact CG1-CZ 4.17Å; I397-F408 HydrophobicContact CG2-CD2 4.09Å; E400-F408 WeakPolarHBondContact OE2-CE2 3.46Å; T401-F408 HydrophobicContact CG2-CB 3.82Å; T401-F408 HydrophobicContact CG2-CD2 3.9Å; T401-F408 HydrophobicContact CG2-CG 4.38Å; F408-L411 HydrophobicContact CE1-CB 3.9Å; F408-L411 HydrophobicContact CE1-CD1 4.21Å; F408-L414 HydrophobicContact CE1-CD1 4.35Å; F408-L414 HydrophobicContact CE2-CD1 4.15Å; F408-L414 HydrophobicContact CZ-CB 4.15Å; F408-L414 HydrophobicContact CZ-CD1 3.53Å; F408-L414 HydrophobicContact CZ-CG 4.5Å; F408-F443 HydrophobicContact CB-CD1 4.41Å; F408-F443 HydrophobicContact CB-CE1 3.91Å; F408-F443 HydrophobicContact CB-CZ 4.47Å; F408-V444 HydrophobicContact CD1-CB 4.44Å; F408-V444 HydrophobicContact CD1-CG1 3.88Å; F408-V444 HydrophobicContact CD1-CG2 4.19Å; F408-V444 HydrophobicContact CE1-CG1 4.11Å
409R87.9Confident90.5Very high217 Ų21781.9 Ų81.982%0.81940%0.397SS*.  trans-138.1-14-177.2-66.7-173.6-178.2-176.80.2114.8L411R409-L411 PolarHBondContact O-N 2.79Å
410A89.6Confident90.6Very high19 Ų1975.9 Ų75.916%0.15737%0.365CS..  trans-96.740.4-176.800000114.7E400 R412 N413 L414E400-A410 VanDerWaalsContact CD-CB 3.41Å; E400-A410 WeakPolarHBondContact OE1-CA 3.15Å; E400-A410 WeakPolarHBondContact OE1-CB 3.2Å; E400-A410 PolarHBondContact OE1-N 3.27Å; E400-A410 VanDerWaalsContact OE2-CB 3.31Å; E400-A410 WeakPolarHBondContact OE2-CB 3.32Å; A410-R412 PolarHBondContact O-N 3.37Å; A410-R412 VanDerWaalsContact O-N 3.14Å; A410-N413 HydrophobicContact CB-CB 4.08Å; A410-N413 PolarHBondContact O-N 3.18Å; A410-L414 PolarHBondContact O-N 3.16Å
411L91.3Very high90.6Very high53 Ų5379.8 Ų79.828%0.27738%0.381SS..Hα-helixtrans-52-40177.1-177.164.5000112.8F408 R409 N413 L414 K415 L426 V444 F445F408-L411 HydrophobicContact CE1-CB 3.9Å; F408-L411 HydrophobicContact CE1-CD1 4.21Å; R409-L411 PolarHBondContact O-N 2.79Å; L411-N413 PolarHBondContact O-N 3.19Å; L411-L414 PolarHBondContact O-N 3.03Å; L411-K415 HydrophobicContact CD1-CG 4.49Å; L411-K415 HydrophobicContact CG-CD 4.41Å; L411-K415 WeakPolarHBondContact O-CG 3.35Å; L411-K415 PolarHBondContact O-N 3.37Å; L411-L426 HydrophobicContact CD1-CD2 4.36Å; L411-V444 HydrophobicContact CD1-CG1 4.34Å; L411-F445 HydrophobicContact CD1-CE1 4.3Å; L411-F445 HydrophobicContact CD1-CZ 4.34Å; L411-F445 HydrophobicContact CD2-CE1 3.73Å
412R92.1Very high90.7Very high217 Ų21781.1 Ų81.182%0.81939%0.391SS*.Hα-helixtrans-63.1-40178.2-176.3178.8176.7179.4-0.4112.6A410 A416A410-R412 PolarHBondContact O-N 3.37Å; A410-R412 VanDerWaalsContact O-N 3.14Å; R412-A416 PolarHBondContact O-N 3.4Å
413N93.7Very high90.8Very high88 Ų8879.1 Ų79.147%0.47138%0.382SS..Hα-helixtrans-71.1-45.2179.6-63-10.3000109.6Y396 A410 L411 K415 A416 D417Y396-N413 WeakPolarHBondContact OH-CB 3.4Å; A410-N413 HydrophobicContact CB-CB 4.08Å; A410-N413 PolarHBondContact O-N 3.18Å; L411-N413 PolarHBondContact O-N 3.19Å; N413-K415 VanDerWaalsContact C-N 3.31Å; N413-K415 PolarHBondContact O-N 3.33Å; N413-A416 PolarHBondContact O-N 3.14Å; N413-D417 WeakPolarHBondContact O-CB 3.32Å; N413-D417 PolarHBondContact O-N 2.86Å
414L94.3Very high91.1Very high2 Ų274.2 Ų74.21%0.0136%0.361CS..Hα-helixtrans-53.1-47.7174.5-175.4157.6000112L393 Y396 I397 F408 A410 L411 A416 D417 L418 L420 L426L393-L414 HydrophobicContact CD1-CD2 3.95Å; L393-L414 HydrophobicContact CG-CD1 4.26Å; L393-L414 HydrophobicContact CG-CD2 4.38Å; Y396-L414 HydrophobicContact CD1-CB 4.1Å; Y396-L414 HydrophobicContact CD1-CD1 3.82Å; Y396-L414 HydrophobicContact CD1-CG 4.05Å; Y396-L414 HydrophobicContact CE1-CB 3.78Å; Y396-L414 HydrophobicContact CE1-CD1 4.31Å; Y396-L414 HydrophobicContact CE1-CG 4.25Å; Y396-L414 HydrophobicContact CG-CD1 4.48Å; I397-L414 HydrophobicContact CD1-CD1 4.05Å; I397-L414 HydrophobicContact CG1-CD1 3.72Å; F408-L414 HydrophobicContact CE1-CD1 4.35Å; F408-L414 HydrophobicContact CE2-CD1 4.15Å; F408-L414 HydrophobicContact CZ-CB 4.15Å; F408-L414 HydrophobicContact CZ-CD1 3.53Å; F408-L414 HydrophobicContact CZ-CG 4.5Å; A410-L414 PolarHBondContact O-N 3.16Å; L411-L414 PolarHBondContact O-N 3.03Å; L414-A416 VanDerWaalsContact C-N 3.28Å; L414-A416 PolarHBondContact O-N 3.47Å; L414-D417 PolarHBondContact O-N 2.96Å; L414-L418 HydrophobicContact CD2-CD1 3.98Å; L414-L418 HydrophobicContact CG-CD1 3.96Å; L414-L418 WeakPolarHBondContact O-CB 3.25Å; L414-L418 PolarHBondContact O-N 3.01Å; L414-L420 HydrophobicContact CD2-CD1 4.45Å; L414-L426 HydrophobicContact CD2-CD1 4.27Å
415K94.1Very high91.6Very high41 Ų4173.9 Ų73.918%0.17836%0.356CS..Hα-helixtrans-61.5-35.2177.8-71.5-175.978.8171.80112.7L411 N413 L420 K421 E423 L426L411-K415 HydrophobicContact CD1-CG 4.49Å; L411-K415 HydrophobicContact CG-CD 4.41Å; L411-K415 WeakPolarHBondContact O-CG 3.35Å; L411-K415 PolarHBondContact O-N 3.37Å; N413-K415 VanDerWaalsContact C-N 3.31Å; N413-K415 PolarHBondContact O-N 3.33Å; K415-L420 WeakPolarHBondContact CB-O 3.19Å; K415-L420 WeakPolarHBondContact CE-O 3.43Å; K415-L420 WeakPolarHBondContact CG-O 3.44Å; K415-L420 CarbonylContact O-C 3.5Å; K415-L420 PolarHBondContact O-N 3.04Å; K415-K421 PolarHBondContact NZ-O 2.77Å; K415-E423 IonicContact NZ-OE2 3.25Å; K415-E423 PolarHBondContact NZ-OE2 3.1Å; K415-L426 HydrophobicContact CD-CD2 3.83Å; K415-L426 HydrophobicContact CG-CD1 4.45Å; K415-L426 HydrophobicContact CG-CD2 4.07Å
416A94.3Very high92.2Very high54 Ų5466.1 Ų66.145%0.44632%0.322SS..Hα-helixtrans-76.2-47178.700000111.9R412 N413 L414 D419R412-A416 PolarHBondContact O-N 3.4Å; N413-A416 PolarHBondContact O-N 3.14Å; L414-A416 VanDerWaalsContact C-N 3.28Å; L414-A416 PolarHBondContact O-N 3.47Å; A416-D419 PolarHBondContact O-N 3.47Å
417D93.8Very high92.5Very high108 Ų10862 Ų6258%0.57831%0.305SS*.Hα-helixtrans-69.8-35.1-173.6-63.6-20.4000112.3Y396 N413 L414Y396-D417 HydrophobicContact CE2-CB 4.14Å; Y396-D417 WeakPolarHBondContact CE2-OD2 3.31Å; Y396-D417 PolarHBondContact OH-OD2 2.86Å; N413-D417 WeakPolarHBondContact O-CB 3.32Å; N413-D417 PolarHBondContact O-N 2.86Å; L414-D417 PolarHBondContact O-N 2.96Å
418L93.8Very high93Very high28 Ų2858 Ų5815%0.14728%0.279CS..THydrogen-bonded Turntrans-94.43.5-178.9-58.3-174.8000114.2K389 T392 L393 L414 L420K389-L418 PolarHBondContact NZ-O 3.18Å; T392-L418 HydrophobicContact CG2-CD2 3.64Å; L393-L418 HydrophobicContact CB-CD1 3.88Å; L393-L418 HydrophobicContact CG-CD1 4.32Å; L414-L418 HydrophobicContact CD2-CD1 3.98Å; L414-L418 HydrophobicContact CG-CD1 3.96Å; L414-L418 WeakPolarHBondContact O-CB 3.25Å; L414-L418 PolarHBondContact O-N 3.01Å; L418-L420 HydrophobicContact CB-CD1 3.92Å; L418-L420 HydrophobicContact CB-CG 4.01Å; L418-L420 HydrophobicContact CD1-CD1 4.35Å
419D94Very high93.4Very high106 Ų10657 Ų5757%0.56728%0.275SS*.THydrogen-bonded Turntrans52.955.6-174-163.539.2000112.1A416A416-D419 PolarHBondContact O-N 3.47Å
420L94.5Very high93.8Very high0 Ų046.7 Ų46.70%024%0.236CC..  trans-122.248.6179.2-60.4175.6000109.9L393 L414 K415 L418 D425 L426 V429L393-L420 HydrophobicContact CD1-CD1 4.02Å; L414-L420 HydrophobicContact CD2-CD1 4.45Å; K415-L420 WeakPolarHBondContact CB-O 3.19Å; K415-L420 WeakPolarHBondContact CE-O 3.43Å; K415-L420 WeakPolarHBondContact CG-O 3.44Å; K415-L420 CarbonylContact O-C 3.5Å; K415-L420 PolarHBondContact O-N 3.04Å; L418-L420 HydrophobicContact CB-CD1 3.92Å; L418-L420 HydrophobicContact CB-CG 4.01Å; L418-L420 HydrophobicContact CD1-CD1 4.35Å; L420-D425 HydrophobicContact CD2-CB 4.21Å; L420-L426 HydrophobicContact CB-CB 4.38Å; L420-L426 HydrophobicContact CB-CD1 4.34Å; L420-L426 HydrophobicContact CD1-CD1 4.11Å; L420-V429 HydrophobicContact CD1-CB 4.2Å; L420-V429 HydrophobicContact CD1-CG1 4.14Å; L420-V429 HydrophobicContact CD1-CG2 4.43Å; L420-V429 HydrophobicContact CD2-CB 4.39Å; L420-V429 HydrophobicContact CD2-CG2 3.8Å
421K91.6Very high94Very high148 Ų14845.8 Ų45.864%0.64323%0.229SC*.  trans-71.1-40.1-176.9-66.5173.9-174.3158.80111.7K415K415-K421 PolarHBondContact NZ-O 2.77Å
422A93.5Very high94.3Very high28 Ų2844.6 Ų44.623%0.23122%0.222CC..SBendtrans-70.5134.2174.300000110.3T356 G424 D425 L426T356-A422 HydrophobicContact CG2-CB 4.28Å; A422-G424 VanDerWaalsContact C-N 3.3Å; A422-G424 PolarHBondContact O-N 2.97Å; A422-D425 HydrophobicContact CB-CB 4.37Å; A422-D425 WeakPolarHBondContact CB-OD2 3.47Å; A422-D425 PolarHBondContact O-N 3.45Å; A422-L426 PolarHBondContact O-N 2.88Å; A422-L426 VanDerWaalsContact O-N 3.14Å
423E91.4Very high94.5Very high63 Ų6334.2 Ų34.229%0.29418%0.183SC..Hα-helixtrans-66.1-35.3-177.7-161.363-158.900111.9H353 K415 D425 L426 N427H353-E423 HydrophobicContact CB-CB 4.21Å; K415-E423 IonicContact NZ-OE2 3.25Å; K415-E423 PolarHBondContact NZ-OE2 3.1Å; E423-D425 PolarHBondContact O-N 2.79Å; E423-L426 PolarHBondContact O-N 2.91Å; E423-N427 WeakPolarHBondContact O-CB 3.46Å; E423-N427 VanDerWaalsContact O-CG 3.25Å; E423-N427 PolarHBondContact O-N 3.36Å; E423-N427 PolarHBondContact O-ND2 2.83Å
424G92.9Very high94.5Very high0 Ų030.5 Ų30.50%016%0.163CC..Hα-helixtrans-61.8-41.917600000112.9Q210 A422 N427 I428Q210-G424 PolarHBondContact NE2-O 2.87Å; A422-G424 VanDerWaalsContact C-N 3.3Å; A422-G424 PolarHBondContact O-N 2.97Å; G424-N427 PolarHBondContact O-N 2.84Å; G424-I428 WeakPolarHBondContact O-CG1 3.26Å; G424-I428 PolarHBondContact O-N 3.42Å
425D96.1Very high94.4Very high6 Ų632.5 Ų32.53%0.03217%0.171CC..Hα-helixtrans-67.1-41.9177.2-65.4-31.4000111.5D355 T356 L357 L420 A422 E423 N427 I428 V429D355-D425 WeakPolarHBondContact CB-OD1 3.31Å; T356-D425 PolarHBondContact N-OD1 2.87Å; T356-D425 PolarHBondContact N-OD2 2.66Å; T356-D425 PolarHBondContact OG1-OD2 2.74Å; L357-D425 WeakPolarHBondContact CB-OD1 3.4Å; L357-D425 HydrophobicContact CD1-CB 3.93Å; L357-D425 HydrophobicContact CG-CB 4.27Å; L357-D425 VanDerWaalsContact CG-OD1 3.31Å; L357-D425 WeakPolarHBondContact CG-OD1 3.39Å; L357-D425 PolarHBondContact N-OD1 2.84Å; L420-D425 HydrophobicContact CD2-CB 4.21Å; A422-D425 HydrophobicContact CB-CB 4.37Å; A422-D425 WeakPolarHBondContact CB-OD2 3.47Å; A422-D425 PolarHBondContact O-N 3.45Å; E423-D425 PolarHBondContact O-N 2.79Å; D425-N427 VanDerWaalsContact C-N 3.33Å; D425-N427 PolarHBondContact O-N 2.92Å; D425-I428 PolarHBondContact O-N 2.86Å; D425-V429 WeakPolarHBondContact O-CG2 3.19Å; D425-V429 PolarHBondContact O-N 3.33Å
426L95.3Very high94.4Very high0 Ų034.6 Ų34.60%018%0.184CC..Hα-helixtrans-58.5-47.1174.1177.665.3000110.6L393 L411 L414 K415 L420 A422 E423 I428 V429 M430 F445L393-L426 HydrophobicContact CD1-CD1 4.35Å; L411-L426 HydrophobicContact CD1-CD2 4.36Å; L414-L426 HydrophobicContact CD2-CD1 4.27Å; K415-L426 HydrophobicContact CD-CD2 3.83Å; K415-L426 HydrophobicContact CG-CD1 4.45Å; K415-L426 HydrophobicContact CG-CD2 4.07Å; L420-L426 HydrophobicContact CB-CB 4.38Å; L420-L426 HydrophobicContact CB-CD1 4.34Å; L420-L426 HydrophobicContact CD1-CD1 4.11Å; A422-L426 PolarHBondContact O-N 2.88Å; A422-L426 VanDerWaalsContact O-N 3.14Å; E423-L426 PolarHBondContact O-N 2.91Å; L426-I428 PolarHBondContact O-N 2.83Å; L426-V429 PolarHBondContact O-N 3.44Å; L426-M430 HydrophobicContact CD1-CG 3.77Å; L426-M430 HydrophobicContact CD1-SD 4.47Å; L426-M430 HydrophobicContact CG-CG 4.01Å; L426-M430 VanDerWaalsContact O-CB 3.23Å; L426-M430 WeakPolarHBondContact O-CB 3.43Å; L426-M430 WeakPolarHBondContact O-CG 3.31Å; L426-M430 PolarHBondContact O-N 2.99Å; L426-F445 HydrophobicContact CD2-CZ 4.36Å
427N94.4Very high94.2Very high19 Ų1935 Ų3510%0.10217%0.174CC..Hα-helixtrans-62.8-39.5-179.4-73.6-27.2000112.5Q210 E423 G424 D425 A431Q210-N427 HydrophobicContact CB-CB 4.43Å; Q210-N427 HydrophobicContact CG-CB 3.91Å; E423-N427 WeakPolarHBondContact O-CB 3.46Å; E423-N427 VanDerWaalsContact O-CG 3.25Å; E423-N427 PolarHBondContact O-N 3.36Å; E423-N427 PolarHBondContact O-ND2 2.83Å; G424-N427 PolarHBondContact O-N 2.84Å; D425-N427 VanDerWaalsContact C-N 3.33Å; D425-N427 PolarHBondContact O-N 2.92Å; N427-A431 WeakPolarHBondContact O-CB 3.49Å; N427-A431 PolarHBondContact O-N 3.42Å
428I96.7Very high94Very high0 Ų032.6 Ų32.60%017%0.168CC..Hα-helixtrans-60.7-50.7174.2-69.8169.5000110.7L209 Q210 D355 V358 L386 G424 D425 L426 A431 M432L209-I428 HydrophobicContact CB-CB 4.49Å; L209-I428 HydrophobicContact CB-CD1 4.43Å; L209-I428 HydrophobicContact CB-CG1 3.95Å; L209-I428 HydrophobicContact CB-CG2 4.03Å; L209-I428 HydrophobicContact CD1-CG2 4.34Å; Q210-I428 HydrophobicContact CG-CD1 4.46Å; Q210-I428 HydrophobicContact CG-CG1 3.56Å; D355-I428 HydrophobicContact CB-CD1 3.93Å; V358-I428 HydrophobicContact CG2-CD1 3.66Å; L386-I428 HydrophobicContact CD1-CG2 4.28Å; L386-I428 HydrophobicContact CD2-CG2 3.95Å; G424-I428 WeakPolarHBondContact O-CG1 3.26Å; G424-I428 PolarHBondContact O-N 3.42Å; D425-I428 PolarHBondContact O-N 2.86Å; L426-I428 PolarHBondContact O-N 2.83Å; I428-A431 PolarHBondContact O-N 2.82Å; I428-M432 WeakPolarHBondContact O-CG 3.45Å; I428-M432 PolarHBondContact O-N 3.3Å
429V97.1Very high93.6Very high0 Ų031.4 Ų31.40%016%0.163CC..Hα-helixtrans-68.6-38.5-176.8177.90000111.3L357 K389 A390 L393 L420 D425 L426 M432 A433L357-V429 HydrophobicContact CD1-CG2 4.45Å; K389-V429 HydrophobicContact CB-CG1 3.98Å; K389-V429 HydrophobicContact CB-CG2 4.03Å; K389-V429 HydrophobicContact CD-CG2 4.35Å; A390-V429 HydrophobicContact CB-CG1 4.31Å; L393-V429 HydrophobicContact CB-CG1 4.22Å; L393-V429 HydrophobicContact CD1-CG1 3.87Å; L420-V429 HydrophobicContact CD1-CB 4.2Å; L420-V429 HydrophobicContact CD1-CG1 4.14Å; L420-V429 HydrophobicContact CD1-CG2 4.43Å; L420-V429 HydrophobicContact CD2-CB 4.39Å; L420-V429 HydrophobicContact CD2-CG2 3.8Å; D425-V429 WeakPolarHBondContact O-CG2 3.19Å; D425-V429 PolarHBondContact O-N 3.33Å; L426-V429 PolarHBondContact O-N 3.44Å; V429-M432 PolarHBondContact O-N 3.35Å; V429-A433 WeakPolarHBondContact O-CB 3.11Å; V429-A433 PolarHBondContact O-N 2.85Å
430M94.8Very high93.5Very high1 Ų126.4 Ų26.41%0.00514%0.137CC..Hα-helixtrans-64.2-43.8174.9-75.9-65.2-52.600111.8L393 L426 M432 A433 E434 L440 H441 V444 F445L393-M430 HydrophobicContact CD1-CG 4.2Å; L393-M430 HydrophobicContact CD1-SD 3.6Å; L393-M430 VanDerWaalsContact CD1-SD 3.6Å; L393-M430 HydrophobicContact CD2-SD 3.57Å; L393-M430 VanDerWaalsContact CD2-SD 3.57Å; L393-M430 HydrophobicContact CG-SD 4.2Å; L426-M430 HydrophobicContact CD1-CG 3.77Å; L426-M430 HydrophobicContact CD1-SD 4.47Å; L426-M430 HydrophobicContact CG-CG 4.01Å; L426-M430 VanDerWaalsContact O-CB 3.23Å; L426-M430 WeakPolarHBondContact O-CB 3.43Å; L426-M430 WeakPolarHBondContact O-CG 3.31Å; L426-M430 PolarHBondContact O-N 2.99Å; M430-M432 VanDerWaalsContact C-N 3.34Å; M430-M432 PolarHBondContact O-N 3.33Å; M430-A433 CarbonylContact O-C 3.56Å; M430-A433 WeakPolarHBondContact O-CB 3.17Å; M430-A433 PolarHBondContact O-N 2.86Å; M430-A433 VanDerWaalsContact O-N 3.12Å; M430-E434 PolarHBondContact O-N 2.98Å; M430-L440 HydrophobicContact CE-CD2 3.71Å; M430-L440 HydrophobicContact CE-CG 3.92Å; M430-L440 HydrophobicContact SD-CD2 4.32Å; M430-H441 WeakPolarHBondContact CB-NE2 3.48Å; M430-H441 PolarHBondContact O-NE2 3.43Å; M430-V444 HydrophobicContact CE-CB 4.36Å; M430-V444 HydrophobicContact CE-CG2 4.23Å; M430-F445 HydrophobicContact CE-CD2 4.49Å; M430-F445 HydrophobicContact CE-CE2 3.87Å; M430-F445 HydrophobicContact CG-CE2 4.34Å
431A95.4Very high93.2Very high0 Ų026.6 Ų26.60%014%0.138CC..Hα-helixtrans-62.7-40.3176.400000111.9L209 Q210 N427 I428 A433 E434 K435 H441L209-A431 VanDerWaalsContact O-CB 3.29Å; L209-A431 WeakPolarHBondContact O-CB 3.49Å; Q210-A431 WeakPolarHBondContact O-CB 3.46Å; N427-A431 WeakPolarHBondContact O-CB 3.49Å; N427-A431 PolarHBondContact O-N 3.42Å; I428-A431 PolarHBondContact O-N 2.82Å; A431-A433 VanDerWaalsContact C-N 3.34Å; A431-E434 WeakPolarHBondContact O-CB 3.16Å; A431-E434 PolarHBondContact O-N 2.98Å; A431-K435 WeakPolarHBondContact O-CG 3.27Å; A431-K435 PolarHBondContact O-N 2.98Å; A431-H441 PolarHBondContact N-NE2 3.5Å
432M95.9Very high93Very high27 Ų2720.1 Ų20.113%0.13311%0.111CC..Hα-helixtrans-64.7-38.9173-70-70.1-89.900111.8L386 A390 I428 V429 M430 K435 L436L386-M432 HydrophobicContact CB-CE 4.31Å; A390-M432 HydrophobicContact CB-CB 3.84Å; I428-M432 WeakPolarHBondContact O-CG 3.45Å; I428-M432 PolarHBondContact O-N 3.3Å; V429-M432 PolarHBondContact O-N 3.35Å; M430-M432 VanDerWaalsContact C-N 3.34Å; M430-M432 PolarHBondContact O-N 3.33Å; M432-K435 PolarHBondContact O-N 3Å; M432-L436 WeakPolarHBondContact O-CG 3.39Å; M432-L436 PolarHBondContact O-N 3.03Å
433A95.9Very high92.7Very high0 Ų020.4 Ų20.40%011%0.107CC..Hα-helixtrans-68-36.7176.200000112.6A390 L393 L394 V429 M430 A431 K435 L436 R437 L440A390-A433 HydrophobicContact CB-CB 4.21Å; L393-A433 HydrophobicContact CD2-CB 4Å; L394-A433 HydrophobicContact CD1-CB 4.39Å; L394-A433 HydrophobicContact CD2-CB 4.1Å; L394-A433 HydrophobicContact CG-CB 3.97Å; V429-A433 WeakPolarHBondContact O-CB 3.11Å; V429-A433 PolarHBondContact O-N 2.85Å; M430-A433 CarbonylContact O-C 3.56Å; M430-A433 WeakPolarHBondContact O-CB 3.17Å; M430-A433 PolarHBondContact O-N 2.86Å; M430-A433 VanDerWaalsContact O-N 3.12Å; A431-A433 VanDerWaalsContact C-N 3.34Å; A433-K435 VanDerWaalsContact C-N 3.34Å; A433-K435 PolarHBondContact O-N 3.34Å; A433-L436 PolarHBondContact O-N 3.15Å; A433-R437 PolarHBondContact O-N 2.64Å; A433-L440 HydrophobicContact CB-CD2 3.5Å; A433-L440 VanDerWaalsContact CB-CD2 3.5Å
434E94.6Very high92.4Very high10 Ų1018.5 Ų18.55%0.04710%0.099CC..Hα-helixtrans-59.5-42.8174.4-169.862.1-155.100111.9Y284 M430 A431 L436 R437 A438 G439 L440 H441Y284-E434 HydrophobicContact CE1-CG 4.31Å; M430-E434 PolarHBondContact O-N 2.98Å; A431-E434 WeakPolarHBondContact O-CB 3.16Å; A431-E434 PolarHBondContact O-N 2.98Å; E434-L436 VanDerWaalsContact C-N 3.27Å; E434-L436 PolarHBondContact O-N 2.93Å; E434-R437 CarbonylContact O-C 3.52Å; E434-R437 PolarHBondContact O-N 3.29Å; E434-R437 VanDerWaalsContact O-O 3.13Å; E434-A438 WeakPolarHBondContact O-CA 3.39Å; E434-A438 PolarHBondContact O-N 3.3Å; E434-A438 VanDerWaalsContact O-N 3.08Å; E434-G439 PolarHBondContact OE1-N 3.14Å; E434-L440 WeakPolarHBondContact OE2-CA 3.25Å; E434-L440 WeakPolarHBondContact OE2-CB 3.45Å; E434-L440 PolarHBondContact OE2-N 2.85Å; E434-H441 IonicContact OE2-CD2 3.27Å; E434-H441 PolarHBondContact OE2-CD2 3.28Å; E434-H441 IonicContact OE2-CG 2.74Å; E434-H441 PolarHBondContact OE2-N 2.88Å
435K93.2Very high92Very high43 Ų4321.2 Ų21.219%0.18711%0.111CC..Hα-helixtrans-64-33.8176.9-66.5171.670.2-177.70112.5C212 E240 A431 M432 A433C212-K435 HydrophobicContact CB-CD 4.21Å; C212-K435 HydrophobicContact CB-CG 4.09Å; C212-K435 WeakPolarHBondContact O-CD 3.48Å; E240-K435 WeakPolarHBondContact OE1-CE 3.44Å; E240-K435 IonicContact OE1-NZ 2.83Å; E240-K435 PolarHBondContact OE1-NZ 3.31Å; E240-K435 IonicContact OE2-NZ 2.63Å; E240-K435 PolarHBondContact OE2-NZ 3.31Å; A431-K435 WeakPolarHBondContact O-CG 3.27Å; A431-K435 PolarHBondContact O-N 2.98Å; M432-K435 PolarHBondContact O-N 3Å; A433-K435 VanDerWaalsContact C-N 3.34Å; A433-K435 PolarHBondContact O-N 3.34Å
436L92.6Very high90.8Very high85 Ų8522.2 Ų22.245%0.44512%0.123SC..Hα-helixtrans-77.9-33.3176.6-63.5174.9000111.9A390 L394 M432 A433 E434A390-L436 HydrophobicContact CB-CD1 4.25Å; L394-L436 HydrophobicContact CD1-CB 3.99Å; L394-L436 HydrophobicContact CD1-CD1 4.24Å; M432-L436 WeakPolarHBondContact O-CG 3.39Å; M432-L436 PolarHBondContact O-N 3.03Å; A433-L436 PolarHBondContact O-N 3.15Å; E434-L436 VanDerWaalsContact C-N 3.27Å; E434-L436 PolarHBondContact O-N 2.93Å
437R90.6Very high89Confident64 Ų6429.3 Ų29.324%0.24215%0.154CC..SBendtrans-146104.6175.3-175.4176.3-67156.52.2110.9L394 E398 A433 E434L394-R437 HydrophobicContact CD2-CB 4.11Å; E398-R437 IonicContact OE1-CZ 2.6Å; E398-R437 IonicContact OE1-NH1 2.68Å; E398-R437 PolarHBondContact OE1-NH1 3.12Å; E398-R437 IonicContact OE1-NH2 3.1Å; E398-R437 PolarHBondContact OE1-NH2 2.92Å; A433-R437 PolarHBondContact O-N 2.64Å; E434-R437 CarbonylContact O-C 3.52Å; E434-R437 PolarHBondContact O-N 3.29Å; E434-R437 VanDerWaalsContact O-O 3.13Å
438A89.2Confident86.8Confident56 Ų5633.3 Ų33.346%0.46318%0.181SC..THydrogen-bonded Turntrans-62.3144.9177.200000112E434 V458E434-A438 WeakPolarHBondContact O-CA 3.39Å; E434-A438 PolarHBondContact O-N 3.3Å; E434-A438 VanDerWaalsContact O-N 3.08Å; A438-V458 WeakPolarHBondContact O-CG1 3.39Å
439G86.9Confident84.1Confident4 Ų442.3 Ų42.34%0.04122%0.22CC..THydrogen-bonded Turntrans93.1-1.1179.400000114.8E434 S442 F443E434-G439 PolarHBondContact OE1-N 3.14Å; G439-S442 PolarHBondContact O-N 2.87Å; G439-F443 WeakPolarHBondContact O-CB 3.39Å; G439-F443 PolarHBondContact O-N 2.7Å
440L89.9Confident81.6Confident1 Ų148.6 Ų48.61%0.00525%0.245CC..Hα-helixtrans-67.4-47.4-177.2-174.674.4000112.1L393 L394 I397 M430 A433 E434 S442 F443 V444L393-L440 HydrophobicContact CD2-CD2 3.81Å; L394-L440 HydrophobicContact CD2-CD1 4.02Å; L394-L440 HydrophobicContact CD2-CD2 3.69Å; L394-L440 HydrophobicContact CD2-CG 4.39Å; I397-L440 HydrophobicContact CD1-CD1 3.86Å; I397-L440 HydrophobicContact CD1-CD2 4.43Å; I397-L440 HydrophobicContact CD1-CG 4.41Å; I397-L440 HydrophobicContact CG2-CD1 4.27Å; M430-L440 HydrophobicContact CE-CD2 3.71Å; M430-L440 HydrophobicContact CE-CG 3.92Å; M430-L440 HydrophobicContact SD-CD2 4.32Å; A433-L440 HydrophobicContact CB-CD2 3.5Å; A433-L440 VanDerWaalsContact CB-CD2 3.5Å; E434-L440 WeakPolarHBondContact OE2-CA 3.25Å; E434-L440 WeakPolarHBondContact OE2-CB 3.45Å; E434-L440 PolarHBondContact OE2-N 2.85Å; L440-S442 VanDerWaalsContact C-N 3.31Å; L440-S442 PolarHBondContact O-N 3.44Å; L440-F443 WeakPolarHBondContact O-CB 3.32Å; L440-F443 PolarHBondContact O-N 3.08Å; L440-F443 VanDerWaalsContact O-N 3.11Å; L440-V444 HydrophobicContact CD1-CG2 4.37Å; L440-V444 HydrophobicContact CG-CG2 4.38Å; L440-V444 WeakPolarHBondContact O-CG2 3.45Å; L440-V444 PolarHBondContact O-N 2.95Å
441H88.8Confident79Confident4 Ų449.9 Ų49.92%0.01925%0.253CS..Hα-helixtrans-58.9-44.3176.9-89.8-105.7000111.2C302 H303 M430 A431 E434 F443 V444 F445 G446C302-H441 HydrophobicContact CB-CB 4.39Å; H303-H441 HydrophobicContact CB-CB 3.94Å; M430-H441 WeakPolarHBondContact CB-NE2 3.48Å; M430-H441 PolarHBondContact O-NE2 3.43Å; A431-H441 PolarHBondContact N-NE2 3.5Å; E434-H441 IonicContact OE2-CD2 3.27Å; E434-H441 PolarHBondContact OE2-CD2 3.28Å; E434-H441 IonicContact OE2-CG 2.74Å; E434-H441 PolarHBondContact OE2-N 2.88Å; H441-F443 VanDerWaalsContact C-N 3.28Å; H441-F443 PolarHBondContact O-N 3.28Å; H441-V444 PolarHBondContact O-N 3Å; H441-F445 AromaticContact ND1-CD2 3.99Å; H441-F445 WeakPolarHBondContact O-CB 3.45Å; H441-F445 PolarHBondContact O-N 2.81Å; H441-G446 PolarHBondContact O-N 3.07Å
442S87.1Confident76.6Confident11 Ų1151.6 Ų51.68%0.07727%0.265CS..Hα-helixtrans-62.2-35.4176.2-65.60000112G439 L440 G446 E455G439-S442 PolarHBondContact O-N 2.87Å; L440-S442 VanDerWaalsContact C-N 3.31Å; L440-S442 PolarHBondContact O-N 3.44Å; S442-G446 WeakPolarHBondContact O-CA 3.47Å; S442-G446 PolarHBondContact O-N 3.05Å; S442-E455 PolarHBondContact OG-OE1 3.46Å; S442-E455 VanDerWaalsContact OG-OE1 3.09Å
443F87.1Confident74.1Confident35 Ų3557.8 Ų57.815%0.15430%0.295CS..Hα-helixtrans-72.1-41.4177.6-179.8-112.4000113.5I397 T401 K406 F408 G439 L440 H441 L459I397-F443 HydrophobicContact CG2-CD1 4.2Å; I397-F443 HydrophobicContact CG2-CE1 3.88Å; T401-F443 HydrophobicContact CG2-CE1 3.75Å; T401-F443 HydrophobicContact CG2-CZ 3.79Å; K406-F443 WeakPolarHBondContact O-CZ 3.4Å; F408-F443 HydrophobicContact CB-CD1 4.41Å; F408-F443 HydrophobicContact CB-CE1 3.91Å; F408-F443 HydrophobicContact CB-CZ 4.47Å; G439-F443 WeakPolarHBondContact O-CB 3.39Å; G439-F443 PolarHBondContact O-N 2.7Å; L440-F443 WeakPolarHBondContact O-CB 3.32Å; L440-F443 PolarHBondContact O-N 3.08Å; L440-F443 VanDerWaalsContact O-N 3.11Å; H441-F443 VanDerWaalsContact C-N 3.28Å; H441-F443 PolarHBondContact O-N 3.28Å; F443-L459 HydrophobicContact CB-CD1 3.68Å; F443-L459 HydrophobicContact CB-CD2 3.64Å; F443-L459 HydrophobicContact CB-CG 4.32Å; F443-L459 HydrophobicContact CD1-CD2 4.42Å; F443-L459 HydrophobicContact CD2-CD1 3.83Å; F443-L459 HydrophobicContact CD2-CD2 4.11Å; F443-L459 HydrophobicContact CD2-CG 4.42Å; F443-L459 HydrophobicContact CG-CD1 4.08Å; F443-L459 HydrophobicContact CG-CD2 3.82Å
444V86.6Confident71.5Confident22 Ų2265 Ų6513%0.13333%0.329CS..Hα-helixtrans-80.6-44.6-176.1173.60000111.8I397 F408 L411 M430 L440 H441I397-V444 HydrophobicContact CD1-CG2 3.81Å; F408-V444 HydrophobicContact CD1-CB 4.44Å; F408-V444 HydrophobicContact CD1-CG1 3.88Å; F408-V444 HydrophobicContact CD1-CG2 4.19Å; F408-V444 HydrophobicContact CE1-CG1 4.11Å; L411-V444 HydrophobicContact CD1-CG1 4.34Å; M430-V444 HydrophobicContact CE-CB 4.36Å; M430-V444 HydrophobicContact CE-CG2 4.23Å; L440-V444 HydrophobicContact CD1-CG2 4.37Å; L440-V444 HydrophobicContact CG-CG2 4.38Å; L440-V444 WeakPolarHBondContact O-CG2 3.45Å; L440-V444 PolarHBondContact O-N 2.95Å; H441-V444 PolarHBondContact O-N 3Å
445F84.3Confident69Low57 Ų5765.2 Ų65.225%0.2533%0.33CS..THydrogen-bonded Turntrans-111.3-20.4-172-59.7-67.3000113.7L411 L426 M430 H441L411-F445 HydrophobicContact CD1-CE1 4.3Å; L411-F445 HydrophobicContact CD1-CZ 4.34Å; L411-F445 HydrophobicContact CD2-CE1 3.73Å; L426-F445 HydrophobicContact CD2-CZ 4.36Å; M430-F445 HydrophobicContact CE-CD2 4.49Å; M430-F445 HydrophobicContact CE-CE2 3.87Å; M430-F445 HydrophobicContact CG-CE2 4.34Å; H441-F445 AromaticContact ND1-CD2 3.99Å; H441-F445 WeakPolarHBondContact O-CB 3.45Å; H441-F445 PolarHBondContact O-N 2.81Å
446G69.6Low66.7Low27 Ų2768.9 Ų68.928%0.27834%0.343SS..SBendtrans-64.5143.9-179.900000111.7H441 S442H441-G446 PolarHBondContact O-N 3.07Å; S442-G446 WeakPolarHBondContact O-CA 3.47Å; S442-G446 PolarHBondContact O-N 3.05Å
447K59.4Low64.4Low149 Ų14969.7 Ų69.765%0.64835%0.348SS*.  trans-67.1139.6170.4-59.9173.4175.8175.60108.5F449 Y450K447-F449 PolarHBondContact O-N 2.9Å; K447-Y450 HydrophobicContact CB-CD2 3.81Å; K447-Y450 HydrophobicContact CB-CE2 4Å; K447-Y450 HydrophobicContact CD-CD2 4.45Å; K447-Y450 HydrophobicContact CD-CE2 3.95Å; K447-Y450 PolarHBondContact O-N 2.99Å; K447-Y450 VanDerWaalsContact O-N 3.16Å
448P47.2Very low62.5Low104 Ų10469.8 Ų69.868%0.67536%0.355SS*.THydrogen-bonded Turntrans-54.8-17.7-173.9-2732.4000116.5R456P448-R456 PolarHBondContact O-NH2 3.22Å
449F41.1Very low60.4Low188 Ų18867.5 Ų67.583%0.82534%0.335SS*.THydrogen-bonded Turntrans-90.1-3.3-175.9-88-86.8000115.4K447K447-F449 PolarHBondContact O-N 2.9Å
450Y42.8Very low58Low132 Ų13274 Ų7452%0.51837%0.366SS..  trans-120.33.5-172.5-56.8-65.6000115.9F307 K447F307-Y450 HydrophobicContact CD2-CD1 4.43Å; F307-Y450 HydrophobicContact CD2-CG 4.13Å; F307-Y450 AromaticContact CE2-CD1 3.56Å; F307-Y450 HydrophobicContact CE2-CD1 3.56Å; F307-Y450 HydrophobicContact CE2-CD2 4.13Å; F307-Y450 HydrophobicContact CE2-CE1 4.02Å; F307-Y450 AromaticContact CE2-CG 3.62Å; F307-Y450 HydrophobicContact CE2-CG 3.62Å; F307-Y450 HydrophobicContact CZ-CD1 4.35Å; F307-Y450 HydrophobicContact CZ-CE1 4.37Å; K447-Y450 HydrophobicContact CB-CD2 3.81Å; K447-Y450 HydrophobicContact CB-CE2 4Å; K447-Y450 HydrophobicContact CD-CD2 4.45Å; K447-Y450 HydrophobicContact CD-CE2 3.95Å; K447-Y450 PolarHBondContact O-N 2.99Å; K447-Y450 VanDerWaalsContact O-N 3.16Å
451T41.9Very low55.6Low28 Ų2878.4 Ų78.417%0.17240%0.397CS..  trans-73.2125.7172.940.70000110.6E455 R456T451-E455 VanDerWaalsContact CA-OE2 3.3Å; T451-E455 WeakPolarHBondContact CA-OE2 3.1Å; T451-R456 PolarHBondContact OG1-NE 2.98Å
452S45.1Very low53.3Low36 Ų3679.8 Ų79.825%0.25240%0.403SS..  trans-67.3160.5176.2700000110.7Q454 E455 R456S452-Q454 PolarHBondContact O-N 3.17Å; S452-E455 PolarHBondContact N-OE2 2.74Å; S452-E455 PolarHBondContact O-N 3.45Å; S452-E455 WeakPolarHBondContact OG-CG 3.39Å; S452-E455 PolarHBondContact OG-N 2.83Å; S452-E455 VanDerWaalsContact OG-N 3.11Å; S452-R456 WeakPolarHBondContact O-CG 3.48Å; S452-R456 PolarHBondContact O-N 3.23Å
453M41.4Very low51.6Low157 Ų15783.3 Ų83.377%0.77342%0.419SS*.Hα-helixtrans-57.4-38.8173.2-80-173.9173.800111.5E455 R456 D457M453-E455 PolarHBondContact O-N 2.9Å; M453-R456 CarbonylContact O-C 3.55Å; M453-R456 WeakPolarHBondContact O-CB 3.41Å; M453-R456 PolarHBondContact O-N 3.21Å; M453-D457 WeakPolarHBondContact O-CB 3.49Å; M453-D457 PolarHBondContact O-N 2.83Å
454Q42Very low49.7Very low152 Ų15285.8 Ų85.871%0.7143%0.433SS*.Hα-helixtrans-61.9-42.8174.4-84.1177.6-24.800113.5S452 R456 D457 V458S452-Q454 PolarHBondContact O-N 3.17Å; Q454-R456 VanDerWaalsContact C-N 3.31Å; Q454-D457 PolarHBondContact O-N 2.95Å; Q454-V458 VanDerWaalsContact O-CG2 3.29Å; Q454-V458 WeakPolarHBondContact O-CG2 3.47Å; Q454-V458 PolarHBondContact O-N 3.09Å
455E43.2Very low47.7Very low15 Ų1589.3 Ų89.37%0.0745%0.45CS..Hα-helixtrans-64.7-40.2173.9-76173.8151.800110.9R310 S442 T451 S452 M453 D457 V458 L459R310-E455 IonicContact CZ-OE1 2.68Å; R310-E455 VanDerWaalsContact CZ-OE1 3.3Å; R310-E455 IonicContact CZ-OE2 3.86Å; R310-E455 IonicContact NH1-OE1 2.94Å; R310-E455 PolarHBondContact NH1-OE1 2.81Å; R310-E455 VanDerWaalsContact NH1-OE1 3.14Å; R310-E455 IonicContact NH1-OE2 2.9Å; R310-E455 PolarHBondContact NH1-OE2 3.14Å; R310-E455 IonicContact NH2-OE1 2.74Å; R310-E455 PolarHBondContact NH2-OE1 3.45Å; R310-E455 IonicContact NH2-OE2 3.99Å; R310-E455 PolarHBondContact NH2-OE2 3.38Å; S442-E455 PolarHBondContact OG-OE1 3.46Å; S442-E455 VanDerWaalsContact OG-OE1 3.09Å; T451-E455 VanDerWaalsContact CA-OE2 3.3Å; T451-E455 WeakPolarHBondContact CA-OE2 3.1Å; S452-E455 PolarHBondContact N-OE2 2.74Å; S452-E455 PolarHBondContact O-N 3.45Å; S452-E455 WeakPolarHBondContact OG-CG 3.39Å; S452-E455 PolarHBondContact OG-N 2.83Å; S452-E455 VanDerWaalsContact OG-N 3.11Å; M453-E455 PolarHBondContact O-N 2.9Å; E455-D457 VanDerWaalsContact C-N 3.32Å; E455-D457 PolarHBondContact O-N 3.48Å; E455-V458 PolarHBondContact O-N 3.24Å; E455-L459 HydrophobicContact CB-CD1 4.47Å; E455-L459 WeakPolarHBondContact O-CB 3.34Å; E455-L459 WeakPolarHBondContact O-CD1 3.28Å; E455-L459 WeakPolarHBondContact O-CG 3.33Å; E455-L459 PolarHBondContact O-N 3.07Å
456R43.3Very low45.5Very low120 Ų12091.2 Ų91.245%0.45346%0.462SS..Hα-helixtrans-63.6-37.5174.7-71.3-179.5-177.1-179.3-1.7112P448 T451 S452 M453 Q454 L459 M460P448-R456 PolarHBondContact O-NH2 3.22Å; T451-R456 PolarHBondContact OG1-NE 2.98Å; S452-R456 WeakPolarHBondContact O-CG 3.48Å; S452-R456 PolarHBondContact O-N 3.23Å; M453-R456 CarbonylContact O-C 3.55Å; M453-R456 WeakPolarHBondContact O-CB 3.41Å; M453-R456 PolarHBondContact O-N 3.21Å; Q454-R456 VanDerWaalsContact C-N 3.31Å; R456-L459 CarbonylContact O-C 3.58Å; R456-L459 WeakPolarHBondContact O-CA 3.28Å; R456-L459 PolarHBondContact O-N 3.38Å; R456-M460 WeakPolarHBondContact O-CB 3.42Å; R456-M460 WeakPolarHBondContact O-CG 3.4Å; R456-M460 PolarHBondContact O-N 3.22Å
457D45Very low44Very low102 Ų10295.3 Ų95.355%0.54547%0.473SS..Hα-helixtrans-72-40.7178.7-69.2-24.4000111.6M453 Q454 E455 L459 M460 S461M453-D457 WeakPolarHBondContact O-CB 3.49Å; M453-D457 PolarHBondContact O-N 2.83Å; Q454-D457 PolarHBondContact O-N 2.95Å; E455-D457 VanDerWaalsContact C-N 3.32Å; E455-D457 PolarHBondContact O-N 3.48Å; D457-L459 VanDerWaalsContact C-N 3.27Å; D457-L459 PolarHBondContact O-N 3.38Å; D457-M460 CarbonylContact O-C 3.45Å; D457-M460 PolarHBondContact O-N 3.48Å; D457-S461 WeakPolarHBondContact O-CB 3.48Å; D457-S461 PolarHBondContact O-N 3.08Å; D457-S461 PolarHBondContact O-OG 3.07Å
458V50.2Low43Very low65 Ų6591.7 Ų91.739%0.39446%0.462SS..Hα-helixtrans-59.7-41.9169.1174.10000110.2A438 Q454 E455 M460 S461A438-V458 WeakPolarHBondContact O-CG1 3.39Å; Q454-V458 VanDerWaalsContact O-CG2 3.29Å; Q454-V458 WeakPolarHBondContact O-CG2 3.47Å; Q454-V458 PolarHBondContact O-N 3.09Å; E455-V458 PolarHBondContact O-N 3.24Å; V458-M460 VanDerWaalsContact C-N 3.3Å; V458-M460 PolarHBondContact O-N 3.04Å; V458-S461 PolarHBondContact O-OG 3.44Å
459L45.3Very low42.7Very low9 Ų990.8 Ų90.85%0.04745%0.446CS..THydrogen-bonded Turntrans-81.76.2174.3-62.1164.2000114.3F443 E455 R456 D457 F462F443-L459 HydrophobicContact CB-CD1 3.68Å; F443-L459 HydrophobicContact CB-CD2 3.64Å; F443-L459 HydrophobicContact CB-CG 4.32Å; F443-L459 HydrophobicContact CD1-CD2 4.42Å; F443-L459 HydrophobicContact CD2-CD1 3.83Å; F443-L459 HydrophobicContact CD2-CD2 4.11Å; F443-L459 HydrophobicContact CD2-CG 4.42Å; F443-L459 HydrophobicContact CG-CD1 4.08Å; F443-L459 HydrophobicContact CG-CD2 3.82Å; E455-L459 HydrophobicContact CB-CD1 4.47Å; E455-L459 WeakPolarHBondContact O-CB 3.34Å; E455-L459 WeakPolarHBondContact O-CD1 3.28Å; E455-L459 WeakPolarHBondContact O-CG 3.33Å; E455-L459 PolarHBondContact O-N 3.07Å; R456-L459 CarbonylContact O-C 3.58Å; R456-L459 WeakPolarHBondContact O-CA 3.28Å; R456-L459 PolarHBondContact O-N 3.38Å; D457-L459 VanDerWaalsContact C-N 3.27Å; D457-L459 PolarHBondContact O-N 3.38Å; L459-F462 VanDerWaalsContact CA-CE2 3.44Å; L459-F462 HydrophobicContact CB-CD2 4.25Å; L459-F462 HydrophobicContact CB-CE2 3.69Å; L459-F462 HydrophobicContact CD2-CE2 3.38Å; L459-F462 HydrophobicContact CD2-CZ 3.5Å; L459-F462 VanDerWaalsContact CD2-CZ 3.5Å; L459-F462 HydrophobicContact CG-CE2 4.14Å; L459-F462 WeakPolarHBondContact O-CD2 3.47Å; L459-F462 WeakPolarHBondContact O-CE2 3.37Å
460M37.3Very low42.8Very low140 Ų14083.3 Ų83.369%0.6942%0.417SS*.THydrogen-bonded Turntrans-114.7-20.2171.5-75.1-93.9-151.500110.2R456 D457 V458 F462R456-M460 WeakPolarHBondContact O-CB 3.42Å; R456-M460 WeakPolarHBondContact O-CG 3.4Å; R456-M460 PolarHBondContact O-N 3.22Å; D457-M460 CarbonylContact O-C 3.45Å; D457-M460 PolarHBondContact O-N 3.48Å; V458-M460 VanDerWaalsContact C-N 3.3Å; V458-M460 PolarHBondContact O-N 3.04Å; M460-F462 PolarHBondContact O-N 3.23Å
461S39.3Very low42.8Very low93 Ų9379.3 Ų79.365%0.6541%0.409SS*.  trans-79.89170.672.10000114.2D457 V458D457-S461 WeakPolarHBondContact O-CB 3.48Å; D457-S461 PolarHBondContact O-N 3.08Å; D457-S461 PolarHBondContact O-OG 3.07Å; V458-S461 PolarHBondContact O-OG 3.44Å
462F39.6Very low42.9Very low34 Ų3483.9 Ų83.915%0.14943%0.43CS..  trans-53.80176.4-87.8-81.4000115.4E398 K403 L459 M460E398-F462 HydrophobicContact CG-CD1 3.78Å; E398-F462 HydrophobicContact CG-CE1 4.04Å; K403-F462 VanDerWaalsContact C-CB 3.42Å; K403-F462 VanDerWaalsContact CA-CB 3.46Å; K403-F462 HydrophobicContact CB-CB 3.34Å; K403-F462 HydrophobicContact CB-CG 4.25Å; K403-F462 HydrophobicContact CG-CB 3.89Å; K403-F462 PolarHBondContact NZ-O 3.49Å; K403-F462 PolarHBondContact NZ-OXT 3.17Å; K403-F462 VanDerWaalsContact O-CB 3.28Å; K403-F462 WeakPolarHBondContact O-CB 3.3Å; K403-F462 WeakPolarHBondContact O-CD2 3.2Å; L459-F462 VanDerWaalsContact CA-CE2 3.44Å; L459-F462 HydrophobicContact CB-CD2 4.25Å; L459-F462 HydrophobicContact CB-CE2 3.69Å; L459-F462 HydrophobicContact CD2-CE2 3.38Å; L459-F462 HydrophobicContact CD2-CZ 3.5Å; L459-F462 VanDerWaalsContact CD2-CZ 3.5Å; L459-F462 HydrophobicContact CG-CE2 4.14Å; L459-F462 WeakPolarHBondContact O-CD2 3.47Å; L459-F462 WeakPolarHBondContact O-CE2 3.37Å; M460-F462 PolarHBondContact O-N 3.23Å

Retrieved 462 of 462 residues in 899.3 ms (Link to these results)

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