A0A087Y1X3_POEFO Loading...

UMP-CMP kinase 2, mitochondrial

AlphaFold DB , UniProt , Accession A0A087Y1X3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 417 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
1M57.9Low77.8Confident151 Ų15193.5 Ų93.574%0.74445%0.445SS*.  0-61.10-152.5179.1-69.400112.5R3 H4 L5 P129M1-R3 PolarHBondContact O-N 3.02Å; M1-H4 PolarHBondContact O-N 3.5Å; M1-H4 VanDerWaalsContact O-N 3.08Å; M1-L5 HydrophobicContact CG-CD1 3.9Å; M1-L5 HydrophobicContact CG-CG 4.42Å; M1-L5 PolarHBondContact O-N 2.99Å; M1-L5 VanDerWaalsContact O-N 3.08Å; M1-P129 HydrophobicContact CE-CB 4.05Å; M1-P129 HydrophobicContact SD-CB 4.14Å
2A65.8Low79Confident74 Ų7485.8 Ų85.861%0.61241%0.408SS*.Hα-helixtrans-53.6-42.6-174.700000116K6A2-K6 WeakPolarHBondContact O-CB 3.29Å; A2-K6 PolarHBondContact O-N 3.4Å
3R69.9Low80.1Confident213 Ų21383 Ų8380%0.80440%0.404SS*.Hα-helixtrans-65.5-38.5177.6-174.9179.1176.6-173.8-0.7113.2M1 L7M1-R3 PolarHBondContact O-N 3.02Å; R3-L7 WeakPolarHBondContact O-CG 3.42Å; R3-L7 PolarHBondContact O-N 2.78Å
4H74.1Confident81.1Confident76 Ų7681.5 Ų81.535%0.35241%0.406SS..Hα-helixtrans-69.2-45.8178.6-179.175000110.7M1 K6 L7 L8M1-H4 PolarHBondContact O-N 3.5Å; M1-H4 VanDerWaalsContact O-N 3.08Å; H4-K6 VanDerWaalsContact C-N 3.34Å; H4-K6 PolarHBondContact O-N 3.18Å; H4-L7 PolarHBondContact O-N 3.45Å; H4-L8 PolarHBondContact O-N 3.01Å; H4-L8 VanDerWaalsContact O-N 3.08Å
5L77.9Confident82.1Confident23 Ų2376.5 Ų76.512%0.1238%0.38CS..Hα-helixtrans-58.6-44.2174.6-67.9170.6000111.6M1 L7 L8 V9 C59 L131 Y150M1-L5 HydrophobicContact CG-CD1 3.9Å; M1-L5 HydrophobicContact CG-CG 4.42Å; M1-L5 PolarHBondContact O-N 2.99Å; M1-L5 VanDerWaalsContact O-N 3.08Å; L5-L7 VanDerWaalsContact C-N 3.31Å; L5-L7 PolarHBondContact O-N 3.31Å; L5-L8 HydrophobicContact CD2-CD1 4.48Å; L5-L8 WeakPolarHBondContact O-CB 3.32Å; L5-L8 PolarHBondContact O-N 3.31Å; L5-L8 VanDerWaalsContact O-N 3.09Å; L5-V9 WeakPolarHBondContact O-CG2 3.34Å; L5-V9 PolarHBondContact O-N 3.33Å; L5-C59 HydrophobicContact CD2-CB 3.68Å; L5-L131 HydrophobicContact CD2-CD1 4.29Å; L5-L131 HydrophobicContact CD2-CD2 3.9Å; L5-L131 HydrophobicContact CD2-CG 3.97Å; L5-Y150 HydrophobicContact CB-CE2 3.82Å
6K79.1Confident83Confident117 Ų11772.5 Ų72.551%0.50936%0.361SS..Hα-helixtrans-57.3-42.4177.1-171.2174.2-177.9174.20112.7A2 H4 V9 Q10A2-K6 WeakPolarHBondContact O-CB 3.29Å; A2-K6 PolarHBondContact O-N 3.4Å; H4-K6 VanDerWaalsContact C-N 3.34Å; H4-K6 PolarHBondContact O-N 3.18Å; K6-V9 PolarHBondContact O-N 2.99Å; K6-Q10 VanDerWaalsContact O-CG 3.31Å; K6-Q10 WeakPolarHBondContact O-CG 3.42Å; K6-Q10 PolarHBondContact O-N 3.25Å
7L82.8Confident83.8Confident96 Ų9668.2 Ų68.250%0.50334%0.34SS..Hα-helixtrans-66.8-36.7177-71.3168.8000112.5R3 H4 L5R3-L7 WeakPolarHBondContact O-CG 3.42Å; R3-L7 PolarHBondContact O-N 2.78Å; H4-L7 PolarHBondContact O-N 3.45Å; L5-L7 VanDerWaalsContact C-N 3.31Å; L5-L7 PolarHBondContact O-N 3.31Å
8L85Confident84.4Confident26 Ų2664.6 Ų64.614%0.13632%0.322CS..Hα-helixtrans-63.3-45.5174.7-71.1173.9000111.3H4 L5 R11 W12 C59 L102 L131H4-L8 PolarHBondContact O-N 3.01Å; H4-L8 VanDerWaalsContact O-N 3.08Å; L5-L8 HydrophobicContact CD2-CD1 4.48Å; L5-L8 WeakPolarHBondContact O-CB 3.32Å; L5-L8 PolarHBondContact O-N 3.31Å; L5-L8 VanDerWaalsContact O-N 3.09Å; L8-R11 PolarHBondContact O-N 3.43Å; L8-W12 PolarHBondContact O-N 2.92Å; L8-C59 HydrophobicContact CD1-CB 3.94Å; L8-L102 HydrophobicContact CD1-CD1 4.33Å; L8-L102 HydrophobicContact CD2-CD1 4.27Å; L8-L131 HydrophobicContact CD1-CD1 4.5Å
9V84.8Confident84.9Confident22 Ų2261.2 Ų61.213%0.13331%0.305CS..Hα-helixtrans-67.9-37.8-179.3178.40000112L5 K6 R11 W12 L148 Y150L5-V9 WeakPolarHBondContact O-CG2 3.34Å; L5-V9 PolarHBondContact O-N 3.33Å; K6-V9 PolarHBondContact O-N 2.99Å; V9-R11 PolarHBondContact O-N 3.4Å; V9-R11 VanDerWaalsContact O-N 3.13Å; V9-W12 WeakPolarHBondContact O-CB 3.38Å; V9-W12 PolarHBondContact O-N 3.31Å; V9-W12 VanDerWaalsContact O-N 3.09Å; V9-L148 HydrophobicContact CB-CD2 4.33Å; V9-L148 HydrophobicContact CG1-CD2 3.84Å; V9-L148 HydrophobicContact CG2-CD2 3.6Å; V9-Y150 HydrophobicContact CB-CD1 4.38Å; V9-Y150 HydrophobicContact CB-CE1 4.4Å; V9-Y150 HydrophobicContact CG1-CD1 4.13Å; V9-Y150 HydrophobicContact CG1-CE1 4.44Å; V9-Y150 HydrophobicContact CG2-CD1 3.88Å; V9-Y150 HydrophobicContact CG2-CD2 4.19Å; V9-Y150 HydrophobicContact CG2-CE1 4.12Å; V9-Y150 HydrophobicContact CG2-CE2 4.44Å; V9-Y150 HydrophobicContact CG2-CG 3.9Å
10Q87.2Confident85.2Confident127 Ų12760 Ų6059%0.59330%0.298SS*.Hα-helixtrans-59.6-25.2176.4-79.6177.1-18.300114.1K6K6-Q10 VanDerWaalsContact O-CG 3.31Å; K6-Q10 WeakPolarHBondContact O-CG 3.42Å; K6-Q10 PolarHBondContact O-N 3.25Å
11R91.1Very high85.2Confident104 Ų10457.7 Ų57.739%0.39229%0.288SS..THydrogen-bonded Turntrans-11016.9179.8-61-177.268.4-146.9-0.2112.4L8 V9 S13 S14 I94 Q97L8-R11 PolarHBondContact O-N 3.43Å; V9-R11 PolarHBondContact O-N 3.4Å; V9-R11 VanDerWaalsContact O-N 3.13Å; R11-S13 VanDerWaalsContact C-N 3.34Å; R11-S13 PolarHBondContact O-N 2.89Å; R11-S14 WeakPolarHBondContact O-CB 3.49Å; R11-S14 PolarHBondContact O-N 2.92Å; R11-I94 HydrophobicContact CB-CD1 4.31Å; R11-I94 VanDerWaalsContact CZ-CD1 3.41Å; R11-Q97 VanDerWaalsContact CZ-OE1 3.23Å; R11-Q97 VanDerWaalsContact NH1-NE2 3.14Å
12W93Very high86.3Confident0 Ų057.3 Ų57.30%029%0.289CS..G310 helixtrans-61.4-40.3-172.3-160.3-103.2000113.2L8 V9 S14 R15 F17 V30 L57 L131 L148 F159L8-W12 PolarHBondContact O-N 2.92Å; V9-W12 WeakPolarHBondContact O-CB 3.38Å; V9-W12 PolarHBondContact O-N 3.31Å; V9-W12 VanDerWaalsContact O-N 3.09Å; W12-S14 PolarHBondContact O-N 3.25Å; W12-R15 VanDerWaalsContact O-CB 3.3Å; W12-R15 WeakPolarHBondContact O-CB 3.36Å; W12-R15 WeakPolarHBondContact O-CG 3.43Å; W12-R15 PolarHBondContact O-N 3.36Å; W12-F17 HydrophobicContact CD2-CZ 4.37Å; W12-F17 AromaticContact CE2-CZ 3.6Å; W12-F17 HydrophobicContact CH2-CE1 4.22Å; W12-F17 HydrophobicContact CH2-CZ 4.35Å; W12-F17 AromaticContact CZ2-CE1 3.66Å; W12-F17 HydrophobicContact CZ2-CE1 3.66Å; W12-F17 AromaticContact CZ2-CZ 3.59Å; W12-F17 HydrophobicContact CZ2-CZ 3.59Å; W12-F17 AromaticContact NE1-CZ 3.7Å; W12-V30 WeakPolarHBondContact O-CG2 3.35Å; W12-L57 HydrophobicContact CH2-CD1 3.67Å; W12-L57 HydrophobicContact CZ2-CD1 4.2Å; W12-L131 HydrophobicContact CH2-CD1 3.92Å; W12-L131 HydrophobicContact CZ3-CD1 3.61Å; W12-L148 HydrophobicContact CH2-CD1 4.32Å; W12-L148 HydrophobicContact CZ2-CD1 4.06Å; W12-F159 HydrophobicContact CB-CE1 4.4Å; W12-F159 HydrophobicContact CB-CE2 4.26Å; W12-F159 HydrophobicContact CB-CZ 3.83Å; W12-F159 AromaticContact CD1-CD2 3.58Å; W12-F159 AromaticContact CD1-CE2 3.27Å; W12-F159 AromaticContact CD1-CZ 3.66Å; W12-F159 AromaticContact CG-CE2 3.98Å; W12-F159 HydrophobicContact CG-CE2 3.98Å; W12-F159 HydrophobicContact CG-CZ 4.05Å
13S93Very high86.8Confident50 Ų5057.1 Ų57.135%0.3529%0.287SS..G310 helixtrans-67.9-11.7175.657.80000114.5R11 V30R11-S13 VanDerWaalsContact C-N 3.34Å; R11-S13 PolarHBondContact O-N 2.89Å; S13-V30 WeakPolarHBondContact CA-O 3.47Å
14S94.5Very high87.3Confident62 Ų6248.8 Ų48.843%0.43426%0.264SS..G310 helixtrans-92.2-2173.5-53.20000112.9R11 W12R11-S14 WeakPolarHBondContact O-CB 3.49Å; R11-S14 PolarHBondContact O-N 2.92Å; W12-S14 PolarHBondContact O-N 3.25Å
15R95.3Very high88Confident6 Ų646 Ų462%0.02325%0.253CS..  trans-89.4144.3-176.8-59-173117.7-57.6-2.2111.3W12 F17 S92 F93 I94 S100W12-R15 VanDerWaalsContact O-CB 3.3Å; W12-R15 WeakPolarHBondContact O-CB 3.36Å; W12-R15 WeakPolarHBondContact O-CG 3.43Å; W12-R15 PolarHBondContact O-N 3.36Å; R15-F17 HydrophobicContact CB-CE2 4.04Å; R15-F17 HydrophobicContact CB-CZ 4.21Å; R15-S92 PolarHBondContact NH1-O 3.49Å; R15-S92 VanDerWaalsContact NH1-O 3.09Å; R15-S92 PolarHBondContact NH1-OG 2.87Å; R15-S92 PolarHBondContact NH2-O 2.62Å; R15-F93 WeakPolarHBondContact CA-O 3.28Å; R15-F93 PolarHBondContact NH1-O 3.06Å; R15-I94 HydrophobicContact CG-CG1 4.03Å; R15-S100 PolarHBondContact NH2-O 2.93Å
16V96.2Very high88.6Confident13 Ų1349.7 Ų49.78%0.07927%0.265CS..EExtended strand (participates in β ladder)trans-104.4140.2165.3178.50000108Y27 S92 F93 P95V16-Y27 HydrophobicContact CG1-CD1 4.01Å; V16-S92 CarbonylContact O-C 3.55Å; V16-S92 VanDerWaalsContact O-CA 3.26Å; V16-S92 WeakPolarHBondContact O-CA 3.36Å; V16-S92 PolarHBondContact O-OG 2.94Å; V16-F93 HydrophobicContact CB-CE1 4.08Å; V16-F93 HydrophobicContact CB-CE2 4.02Å; V16-F93 HydrophobicContact CB-CZ 3.67Å; V16-F93 HydrophobicContact CG1-CE1 3.97Å; V16-F93 HydrophobicContact CG1-CE2 4.32Å; V16-F93 HydrophobicContact CG1-CZ 3.56Å; V16-F93 PolarHBondContact N-O 3.42Å; V16-F93 PolarHBondContact O-N 3.32Å; V16-P95 HydrophobicContact CB-CG 4.43Å; V16-P95 HydrophobicContact CG2-CG 3.6Å
17F96.4Very high89.3Confident0 Ų045.5 Ų45.50%025%0.246CC..EExtended strand (participates in β ladder)trans-110.2142.9177.1-60-97.5000108.8W12 R15 Y27 F28 V30 L57 M90 S91 S92W12-F17 HydrophobicContact CD2-CZ 4.37Å; W12-F17 AromaticContact CE2-CZ 3.6Å; W12-F17 HydrophobicContact CH2-CE1 4.22Å; W12-F17 HydrophobicContact CH2-CZ 4.35Å; W12-F17 AromaticContact CZ2-CE1 3.66Å; W12-F17 HydrophobicContact CZ2-CE1 3.66Å; W12-F17 AromaticContact CZ2-CZ 3.59Å; W12-F17 HydrophobicContact CZ2-CZ 3.59Å; W12-F17 AromaticContact NE1-CZ 3.7Å; R15-F17 HydrophobicContact CB-CE2 4.04Å; R15-F17 HydrophobicContact CB-CZ 4.21Å; F17-Y27 VanDerWaalsContact O-CA 3.28Å; F17-Y27 WeakPolarHBondContact O-CA 3.29Å; F17-F28 HydrophobicContact CB-CD1 3.92Å; F17-F28 HydrophobicContact CB-CD2 3.96Å; F17-F28 HydrophobicContact CB-CE1 3.53Å; F17-F28 HydrophobicContact CB-CE2 3.56Å; F17-F28 HydrophobicContact CB-CG 4.15Å; F17-F28 HydrophobicContact CB-CZ 3.35Å; F17-F28 HydrophobicContact CD1-CE2 4.47Å; F17-F28 HydrophobicContact CD1-CZ 4.38Å; F17-F28 HydrophobicContact CD2-CD2 4.11Å; F17-F28 AromaticContact CD2-CE2 3.77Å; F17-F28 HydrophobicContact CD2-CE2 3.77Å; F17-F28 HydrophobicContact CD2-CZ 4.36Å; F17-F28 HydrophobicContact CG-CD2 4.29Å; F17-F28 HydrophobicContact CG-CE1 4.46Å; F17-F28 AromaticContact CG-CE2 3.68Å; F17-F28 HydrophobicContact CG-CE2 3.68Å; F17-F28 AromaticContact CG-CZ 3.8Å; F17-F28 HydrophobicContact CG-CZ 3.8Å; F17-F28 PolarHBondContact N-O 3.2Å; F17-F28 PolarHBondContact O-N 3.05Å; F17-V30 HydrophobicContact CD2-CG1 4.18Å; F17-V30 HydrophobicContact CE2-CB 4.37Å; F17-V30 HydrophobicContact CE2-CG1 3.76Å; F17-V30 HydrophobicContact CE2-CG2 3.78Å; F17-V30 HydrophobicContact CZ-CG2 4.38Å; F17-L57 HydrophobicContact CD1-CD1 4.26Å; F17-L57 HydrophobicContact CE1-CD1 3.81Å; F17-M90 HydrophobicContact CB-CE 3.84Å; F17-M90 HydrophobicContact CD1-CE 3.92Å; F17-M90 HydrophobicContact CG-CE 4.27Å; F17-S91 CarbonylContact C-O 3.47Å; F17-S91 WeakPolarHBondContact CA-O 3.36Å; F17-S92 WeakPolarHBondContact CD1-OG 3.16Å; F17-S92 WeakPolarHBondContact CE1-OG 3.37Å
18S94.9Very high89.9Confident2 Ų240.9 Ų40.91%0.01422%0.222CC..EExtended strand (participates in β ladder)trans-130.1128.2-179.81770000108.7P25 R26 M90 S91S18-P25 WeakPolarHBondContact OG-CB 3.4Å; S18-R26 WeakPolarHBondContact CA-O 3.23Å; S18-M90 CarbonylContact O-C 3.57Å; S18-M90 VanDerWaalsContact O-CA 3.23Å; S18-M90 WeakPolarHBondContact O-CA 3.4Å; S18-M90 WeakPolarHBondContact O-CG 3.35Å; S18-S91 PolarHBondContact N-O 3.09Å; S18-S91 PolarHBondContact O-N 3.08Å
19V94.2Very high90.4Very high0 Ų040 Ų400%022%0.22CC..EExtended strand (participates in β ladder)trans-120.5131173.7-179.80000108.6V21 R26 F28 V43 R88 M90 F106V19-V21 HydrophobicContact CG1-CG2 4.21Å; V19-V21 PolarHBondContact O-N 3.5Å; V19-R26 PolarHBondContact N-O 2.75Å; V19-R26 PolarHBondContact O-N 2.91Å; V19-F28 HydrophobicContact CG2-CE1 4.06Å; V19-V43 HydrophobicContact CB-CG2 3.66Å; V19-V43 HydrophobicContact CG1-CG2 3.92Å; V19-V43 HydrophobicContact CG2-CG2 3.9Å; V19-R88 HydrophobicContact CG1-CB 3.9Å; V19-M90 HydrophobicContact CG2-CB 4.45Å; V19-M90 HydrophobicContact CG2-CE 3.62Å; V19-M90 HydrophobicContact CG2-CG 3.98Å; V19-M90 HydrophobicContact CG2-SD 4.25Å; V19-F106 HydrophobicContact CG1-CB 3.89Å; V19-F106 HydrophobicContact CG1-CD1 4.03Å; V19-F106 HydrophobicContact CG1-CG 4.04Å; V19-F106 HydrophobicContact CG2-CB 3.92Å; V19-F106 HydrophobicContact CG2-CD1 4.47Å; V19-F106 HydrophobicContact CG2-CD2 3.95Å; V19-F106 HydrophobicContact CG2-CG 3.87Å
20E90.6Very high90.9Very high37 Ų3739.1 Ų39.117%0.17321%0.214CC..EExtended strand (participates in β ladder)trans-75.1116.3177-66-62.815500110.3R88 S89 T315E20-R88 WeakPolarHBondContact O-CD 3.28Å; E20-S89 PolarHBondContact N-O 2.92Å; E20-T315 VanDerWaalsContact CD-OG1 3.25Å; E20-T315 WeakPolarHBondContact OE1-CB 3.22Å; E20-T315 PolarHBondContact OE1-OG1 3.41Å; E20-T315 PolarHBondContact OE2-OG1 2.79Å
21V86.5Confident91.1Very high12 Ų1239.1 Ų39.17%0.07321%0.209CC..EExtended strand (participates in β ladder)trans-128.6123.6177.6-174.20000108V19 A23 A24 R26 V43 R88V19-V21 HydrophobicContact CG1-CG2 4.21Å; V19-V21 PolarHBondContact O-N 3.5Å; V21-A23 VanDerWaalsContact C-N 3.25Å; V21-A23 PolarHBondContact O-N 3.45Å; V21-A24 PolarHBondContact N-O 2.89Å; V21-A24 PolarHBondContact O-N 2.99Å; V21-R26 HydrophobicContact CB-CG 3.99Å; V21-R26 HydrophobicContact CG2-CB 4.41Å; V21-R26 HydrophobicContact CG2-CG 3.87Å; V21-V43 HydrophobicContact CG2-CG2 4.39Å; V21-R88 VanDerWaalsContact CG2-NH1 3.27Å
22D81.1Confident91Very high143 Ų14341.2 Ų41.277%0.76522%0.223SC*.THydrogen-bonded Turntrans50.642.9-178.2-54.2-37.7000114A24D22-A24 PolarHBondContact O-N 3.29Å
23A74.6Confident90.5Very high70 Ų7048.3 Ų48.358%0.57926%0.256SS*.THydrogen-bonded Turntrans62.619.3-177.200000115.4V21 G316V21-A23 VanDerWaalsContact C-N 3.25Å; V21-A23 PolarHBondContact O-N 3.45Å; A23-G316 VanDerWaalsContact O-CA 3.31Å; A23-G316 WeakPolarHBondContact O-CA 3.4Å; A23-G316 PolarHBondContact O-N 3.43Å
24A81Confident89.9Confident38 Ų3848.4 Ų48.431%0.31425%0.252SS..EExtended strand (participates in β ladder)trans-130142.5171.600000111.8V21 D22V21-A24 PolarHBondContact N-O 2.89Å; V21-A24 PolarHBondContact O-N 2.99Å; D22-A24 PolarHBondContact O-N 3.29Å
25P88.6Confident88.9Confident18 Ų1855.5 Ų55.512%0.11727%0.269CS..EExtended strand (participates in β ladder)trans-74132.8176.628.1-33.8000111.7S18 Y27S18-P25 WeakPolarHBondContact OG-CB 3.4Å; P25-Y27 HydrophobicContact CB-CE1 4.15Å; P25-Y27 HydrophobicContact CB-CE2 4.03Å; P25-Y27 WeakPolarHBondContact CB-OH 3.36Å; P25-Y27 HydrophobicContact CG-CE2 3.97Å; P25-Y27 WeakPolarHBondContact CG-OH 3.49Å
26R91.5Very high88Confident100 Ų10058.4 Ų58.438%0.37730%0.301SS..EExtended strand (participates in β ladder)trans-104.8131.6166.9-62.6-66.9-178.7161.9-2.5109.4S18 V19 V21 D42 V43S18-R26 WeakPolarHBondContact CA-O 3.23Å; V19-R26 PolarHBondContact N-O 2.75Å; V19-R26 PolarHBondContact O-N 2.91Å; V21-R26 HydrophobicContact CB-CG 3.99Å; V21-R26 HydrophobicContact CG2-CB 4.41Å; V21-R26 HydrophobicContact CG2-CG 3.87Å; R26-D42 IonicContact CZ-OD2 3.05Å; R26-D42 IonicContact NH1-OD2 2.59Å; R26-D42 PolarHBondContact NH1-OD2 2.86Å; R26-V43 HydrophobicContact CB-CB 4.21Å
27Y94.1Very high87Confident29 Ų2966.3 Ų66.311%0.11434%0.337CS..EExtended strand (participates in β ladder)trans-107.1142.2-172.9-58.1-78.7000112.6V16 F17 P25 F93 T166 P167 P171V16-Y27 HydrophobicContact CG1-CD1 4.01Å; F17-Y27 VanDerWaalsContact O-CA 3.28Å; F17-Y27 WeakPolarHBondContact O-CA 3.29Å; P25-Y27 HydrophobicContact CB-CE1 4.15Å; P25-Y27 HydrophobicContact CB-CE2 4.03Å; P25-Y27 WeakPolarHBondContact CB-OH 3.36Å; P25-Y27 HydrophobicContact CG-CE2 3.97Å; P25-Y27 WeakPolarHBondContact CG-OH 3.49Å; Y27-F93 HydrophobicContact CD1-CE1 4.37Å; Y27-F93 HydrophobicContact CD1-CZ 4.19Å; Y27-F93 HydrophobicContact CE1-CE1 4.24Å; Y27-F93 HydrophobicContact CE1-CZ 4.1Å; Y27-T166 HydrophobicContact CD2-CG2 4.36Å; Y27-T166 HydrophobicContact CE2-CG2 3.97Å; Y27-P167 HydrophobicContact CD1-CG 3.87Å; Y27-P167 HydrophobicContact CE1-CG 3.74Å; Y27-P167 HydrophobicContact CE2-CG 4.48Å; Y27-P167 HydrophobicContact CG-CG 4.29Å; Y27-P171 HydrophobicContact CE1-CG 4.05Å
28F95.4Very high86.1Confident0 Ų068 Ų680%035%0.349CS..EExtended strand (participates in β ladder)trans-147.4159.716968.7-90.4000110.8F17 V19 V30 P41 V43 F44 M90 Y135 V161F17-F28 HydrophobicContact CB-CD1 3.92Å; F17-F28 HydrophobicContact CB-CD2 3.96Å; F17-F28 HydrophobicContact CB-CE1 3.53Å; F17-F28 HydrophobicContact CB-CE2 3.56Å; F17-F28 HydrophobicContact CB-CG 4.15Å; F17-F28 HydrophobicContact CB-CZ 3.35Å; F17-F28 HydrophobicContact CD1-CE2 4.47Å; F17-F28 HydrophobicContact CD1-CZ 4.38Å; F17-F28 HydrophobicContact CD2-CD2 4.11Å; F17-F28 AromaticContact CD2-CE2 3.77Å; F17-F28 HydrophobicContact CD2-CE2 3.77Å; F17-F28 HydrophobicContact CD2-CZ 4.36Å; F17-F28 HydrophobicContact CG-CD2 4.29Å; F17-F28 HydrophobicContact CG-CE1 4.46Å; F17-F28 AromaticContact CG-CE2 3.68Å; F17-F28 HydrophobicContact CG-CE2 3.68Å; F17-F28 AromaticContact CG-CZ 3.8Å; F17-F28 HydrophobicContact CG-CZ 3.8Å; F17-F28 PolarHBondContact N-O 3.2Å; F17-F28 PolarHBondContact O-N 3.05Å; V19-F28 HydrophobicContact CG2-CE1 4.06Å; F28-V30 HydrophobicContact CD2-CG1 4.47Å; F28-V30 HydrophobicContact CE2-CG1 4.36Å; F28-P41 HydrophobicContact CB-CB 3.78Å; F28-P41 HydrophobicContact CB-CG 3.71Å; F28-V43 HydrophobicContact CD1-CG1 3.74Å; F28-V43 HydrophobicContact CE1-CG1 4.05Å; F28-F44 HydrophobicContact CD1-CE2 4.47Å; F28-F44 HydrophobicContact CG-CE2 4.48Å; F28-F44 HydrophobicContact CZ-CZ 4.4Å; F28-M90 HydrophobicContact CE1-CE 3.64Å; F28-M90 HydrophobicContact CZ-CE 3.43Å; F28-M90 VanDerWaalsContact CZ-CE 3.43Å; F28-Y135 AromaticContact CE2-CE1 3.84Å; F28-Y135 HydrophobicContact CE2-CE1 3.84Å; F28-Y135 AromaticContact CZ-CE1 3.8Å; F28-Y135 HydrophobicContact CZ-CE1 3.8Å; F28-V161 HydrophobicContact CB-CG1 4.42Å; F28-V161 HydrophobicContact CD2-CG1 3.76Å; F28-V161 HydrophobicContact CE2-CG1 4.34Å; F28-V161 HydrophobicContact CG-CG1 4.32Å
29G95.3Very high85.4Confident8 Ų872.2 Ų72.28%0.08237%0.374CS..EExtended strand (participates in β ladder)trans-119.1176.8175.500000111.4V162G29-V162 PolarHBondContact N-O 3.48Å; G29-V162 PolarHBondContact O-N 3.44Å
30V94.3Very high84.8Confident2 Ų275 Ų751%0.01239%0.392CS..EExtended strand (participates in β ladder)trans-135.2145.2175.9-58.60000111.1W12 S13 F17 F28 Q146 F159 C160W12-V30 WeakPolarHBondContact O-CG2 3.35Å; S13-V30 WeakPolarHBondContact CA-O 3.47Å; F17-V30 HydrophobicContact CD2-CG1 4.18Å; F17-V30 HydrophobicContact CE2-CB 4.37Å; F17-V30 HydrophobicContact CE2-CG1 3.76Å; F17-V30 HydrophobicContact CE2-CG2 3.78Å; F17-V30 HydrophobicContact CZ-CG2 4.38Å; F28-V30 HydrophobicContact CD2-CG1 4.47Å; F28-V30 HydrophobicContact CE2-CG1 4.36Å; V30-Q146 HydrophobicContact CG1-CB 4.28Å; V30-F159 HydrophobicContact CB-CB 3.71Å; V30-F159 HydrophobicContact CB-CG 4.26Å; V30-F159 HydrophobicContact CG1-CB 4.49Å; V30-F159 HydrophobicContact CG2-CB 4.18Å; V30-F159 HydrophobicContact CG2-CD1 4.38Å; V30-F159 HydrophobicContact CG2-CG 4.18Å; V30-C160 CarbonylContact C-O 3.59Å; V30-C160 VanDerWaalsContact CA-O 3.29Å; V30-C160 WeakPolarHBondContact CA-O 3.08Å
31R91.6Very high84.6Confident128 Ų12873.5 Ų73.548%0.48339%0.385SS..EExtended strand (participates in β ladder)trans-138.2148.7-178.5-64.6-173.2179.5-172.71.8111.2Q33 F159 C160 V162R31-Q33 VanDerWaalsContact C-N 3.27Å; R31-Q33 PolarHBondContact O-N 2.82Å; R31-F159 CarbonylContact O-C 3.46Å; R31-F159 VanDerWaalsContact O-CA 3.32Å; R31-F159 WeakPolarHBondContact O-CA 3.45Å; R31-C160 PolarHBondContact N-O 3.34Å; R31-C160 PolarHBondContact O-N 3.33Å; R31-V162 HydrophobicContact CG-CG1 4.39Å; R31-V162 HydrophobicContact CG-CG2 4Å
32E88.6Confident84.5Confident148 Ų14877.7 Ų77.769%0.69241%0.407SS*.SBendtrans-65-33.7176.4-67.4174.8-17400112F159E32-F159 HydrophobicContact CG-CD1 4.1Å; E32-F159 HydrophobicContact CG-CE1 3.91Å
33Q83.1Confident84.8Confident149 Ų14971.3 Ų71.370%0.69637%0.373SS*.SBendtrans-136.8138.3177.8-65.5-179.3-5.600110.6R31R31-Q33 VanDerWaalsContact C-N 3.27Å; R31-Q33 PolarHBondContact O-N 2.82Å
34L80.3Confident85.4Confident51 Ų5168.2 Ų68.227%0.26735%0.347SS..  trans-72139.5172.7-16574.6000109.6P38 C160 V162L34-P38 HydrophobicContact CD2-CB 3.77Å; L34-P38 HydrophobicContact CD2-CG 4.4Å; L34-C160 HydrophobicContact CB-CB 4.27Å; L34-C160 HydrophobicContact CD1-CB 4.25Å; L34-C160 PolarHBondContact N-SG 2.75Å; L34-V162 HydrophobicContact CD1-CG1 3.79Å
35R74.1Confident85.5Confident212 Ų21270.7 Ų70.780%0.836%0.362SS*.  trans-124.4118.3170.2-65.4-174.5-176.8-1760.8107.8
36G75.9Confident84.9Confident67 Ų6776 Ų7669%0.69139%0.385SS*.SBendtrans89.9-169.2-176.800000113.2
37E74.6Confident84.4Confident178 Ų17872 Ų7283%0.83237%0.372SS*.SBendtrans-70139.2-178.6-68.8-172.4166.700111.7V39E37-V39 PolarHBondContact O-N 3.2Å
38P77.8Confident83.6Confident37 Ų3777.1 Ų77.124%0.2440%0.397CS..  trans-68.1120.8176.328.5-35.3000110.4L34 Q142 Q143L34-P38 HydrophobicContact CD2-CB 3.77Å; L34-P38 HydrophobicContact CD2-CG 4.4Å; P38-Q142 HydrophobicContact CB-CB 4.2Å; P38-Q142 WeakPolarHBondContact CB-O 3.38Å; P38-Q142 HydrophobicContact CG-CB 3.59Å; P38-Q143 HydrophobicContact CB-CB 4.01Å; P38-Q143 HydrophobicContact CB-CG 4.49Å
39V81.3Confident82.5Confident89 Ų8984.8 Ų84.854%0.53943%0.43SS..  trans-116.7116.7172.3179.60000107.8E37 P163E37-V39 PolarHBondContact O-N 3.2Å; V39-P163 HydrophobicContact CB-CG 3.9Å; V39-P163 HydrophobicContact CG1-CG 3.92Å; V39-P163 VanDerWaalsContact O-CD 3.29Å; V39-P163 WeakPolarHBondContact O-CD 3.41Å; V39-P163 WeakPolarHBondContact O-CG 3.41Å
40P80.6Confident81.5Confident59 Ų5991.5 Ų91.538%0.38346%0.46SS..  trans-68.4133.1177.827.2-32.9000109.9
41P85.6Confident80.9Confident6 Ų692.3 Ų92.34%0.03946%0.464CS..  trans-65.9150.4173.6-13.923.5000112.3F28 V43 F44 V161F28-P41 HydrophobicContact CB-CB 3.78Å; F28-P41 HydrophobicContact CB-CG 3.71Å; P41-V43 HydrophobicContact CB-CG1 4.36Å; P41-V43 PolarHBondContact O-N 3.09Å; P41-F44 HydrophobicContact CB-CD2 4.2Å; P41-F44 HydrophobicContact CG-CD2 4.02Å; P41-F44 HydrophobicContact CG-CE2 4.22Å; P41-F44 PolarHBondContact O-N 3.42Å; P41-V161 HydrophobicContact CG-CG1 3.57Å
42D85.3Confident80.7Confident99 Ų9992 Ų9253%0.52946%0.462SS..G310 helixtrans-49.7-32.5179.9-66.7-2.7000114.5R26 F44 S45R26-D42 IonicContact CZ-OD2 3.05Å; R26-D42 IonicContact NH1-OD2 2.59Å; R26-D42 PolarHBondContact NH1-OD2 2.86Å; D42-F44 PolarHBondContact O-N 2.85Å; D42-F44 VanDerWaalsContact O-N 3.14Å; D42-S45 PolarHBondContact O-N 3.34Å; D42-S45 VanDerWaalsContact O-N 3.13Å; D42-S45 PolarHBondContact O-OG 3.46Å
43V87.6Confident80.9Confident9 Ų984.9 Ų84.96%0.05543%0.429CS..G310 helixtrans-61.9-23.6-179.971.70000112.7V19 V21 R26 F28 P41V19-V43 HydrophobicContact CB-CG2 3.66Å; V19-V43 HydrophobicContact CG1-CG2 3.92Å; V19-V43 HydrophobicContact CG2-CG2 3.9Å; V21-V43 HydrophobicContact CG2-CG2 4.39Å; R26-V43 HydrophobicContact CB-CB 4.21Å; F28-V43 HydrophobicContact CD1-CG1 3.74Å; F28-V43 HydrophobicContact CE1-CG1 4.05Å; P41-V43 HydrophobicContact CB-CG1 4.36Å; P41-V43 PolarHBondContact O-N 3.09Å
44F87.9Confident81.5Confident5 Ų577.9 Ų77.92%0.02240%0.397CS..G310 helixtrans-100.4-0.2-179.9-58.5-76.9000113.4F28 P41 D42 E46 V47 C53 F106 Y135 W144 V161F28-F44 HydrophobicContact CD1-CE2 4.47Å; F28-F44 HydrophobicContact CG-CE2 4.48Å; F28-F44 HydrophobicContact CZ-CZ 4.4Å; P41-F44 HydrophobicContact CB-CD2 4.2Å; P41-F44 HydrophobicContact CG-CD2 4.02Å; P41-F44 HydrophobicContact CG-CE2 4.22Å; P41-F44 PolarHBondContact O-N 3.42Å; D42-F44 PolarHBondContact O-N 2.85Å; D42-F44 VanDerWaalsContact O-N 3.14Å; F44-E46 VanDerWaalsContact C-N 3.25Å; F44-E46 PolarHBondContact O-N 2.85Å; F44-V47 HydrophobicContact CB-CG2 4.47Å; F44-V47 HydrophobicContact CD1-CG2 4.36Å; F44-V47 PolarHBondContact O-N 3.05Å; F44-C53 HydrophobicContact CE1-CB 4.3Å; F44-F106 HydrophobicContact CD1-CZ 4.47Å; F44-F106 HydrophobicContact CE1-CE2 4.17Å; F44-F106 AromaticContact CE1-CZ 3.79Å; F44-F106 HydrophobicContact CE1-CZ 3.79Å; F44-F106 HydrophobicContact CZ-CE2 4.36Å; F44-F106 HydrophobicContact CZ-CZ 4.34Å; F44-Y135 HydrophobicContact CE1-CD1 4.02Å; F44-Y135 HydrophobicContact CE1-CG 4.05Å; F44-Y135 AromaticContact CZ-CD1 3.61Å; F44-Y135 HydrophobicContact CZ-CD1 3.61Å; F44-Y135 HydrophobicContact CZ-CE1 4.04Å; F44-Y135 HydrophobicContact CZ-CG 4.11Å; F44-W144 HydrophobicContact CB-CD2 4.2Å; F44-W144 HydrophobicContact CB-CZ2 3.95Å; F44-W144 AromaticContact CD1-CD2 3.94Å; F44-W144 HydrophobicContact CD1-CD2 3.94Å; F44-W144 AromaticContact CD1-CE3 3.85Å; F44-W144 HydrophobicContact CD1-CE3 3.85Å; F44-W144 HydrophobicContact CD1-CH2 4.13Å; F44-W144 HydrophobicContact CD1-CZ2 4.21Å; F44-W144 AromaticContact CD1-CZ3 3.95Å; F44-W144 HydrophobicContact CD1-CZ3 3.95Å; F44-W144 HydrophobicContact CD2-CG 4.46Å; F44-W144 HydrophobicContact CE1-CE3 4.13Å; F44-W144 HydrophobicContact CE1-CZ3 4.35Å; F44-W144 AromaticContact CG-CD2 3.98Å; F44-W144 HydrophobicContact CG-CD2 3.98Å; F44-W144 AromaticContact CG-CE2 3.98Å; F44-W144 HydrophobicContact CG-CE3 4.36Å; F44-W144 HydrophobicContact CG-CG 4.29Å; F44-W144 HydrophobicContact CG-CZ2 4.37Å; F44-V161 HydrophobicContact CD2-CG1 4.36Å; F44-V161 HydrophobicContact CE2-CG1 3.66Å; F44-V161 HydrophobicContact CZ-CG1 4.4Å
45S81.6Confident82.2Confident90 Ų9075.4 Ų75.463%0.62938%0.384SS*.THydrogen-bonded Turntrans-66.1-26.7-173.564.30000113.8D42D42-S45 PolarHBondContact O-N 3.34Å; D42-S45 VanDerWaalsContact O-N 3.13Å; D42-S45 PolarHBondContact O-OG 3.46Å
46E76.5Confident83.3Confident129 Ų12965.3 Ų65.360%0.60335%0.346SS*.THydrogen-bonded Turntrans-99.83.6-179.6-61.1-177.4162.300113.1F44F44-E46 VanDerWaalsContact C-N 3.25Å; F44-E46 PolarHBondContact O-N 2.85Å
47V81.4Confident84.2Confident17 Ų1762.1 Ų62.110%0.10331%0.313CS..  trans-82.1121.6-178.5-177.10000109.2F44 D51 W144F44-V47 HydrophobicContact CB-CG2 4.47Å; F44-V47 HydrophobicContact CD1-CG2 4.36Å; F44-V47 PolarHBondContact O-N 3.05Å; V47-D51 HydrophobicContact CG1-CB 3.78Å; V47-W144 HydrophobicContact CB-CH2 4.15Å; V47-W144 HydrophobicContact CB-CZ2 4.24Å; V47-W144 HydrophobicContact CG1-CH2 3.73Å; V47-W144 HydrophobicContact CG1-CZ2 4.28Å
48Q77.9Confident85.2Confident136 Ų13654.1 Ų54.164%0.63628%0.276SS*.  trans-71.4152.6178.7-58.6-173.26.300110.7Q50 D51Q48-Q50 PolarHBondContact O-N 2.86Å; Q48-D51 PolarHBondContact N-OD2 3.3Å; Q48-D51 WeakPolarHBondContact O-CB 3.34Å; Q48-D51 PolarHBondContact O-N 2.88Å
49K71.9Confident85.7Confident162 Ų16252.4 Ų52.470%0.70427%0.265SS*.THydrogen-bonded Turntrans-57.1-25.1-176.8-169.2172.4-1761720114.3
50Q72.9Confident85.9Confident149 Ų14949.6 Ų49.670%0.69625%0.249SC*.THydrogen-bonded Turntrans-95.2-9.3179.7-62.3-175.73.200113.5Q48 A111Q48-Q50 PolarHBondContact O-N 2.86Å; Q50-A111 HydrophobicContact CB-CB 3.84Å
51D82.8Confident85.9Confident19 Ų1950.4 Ų50.410%0.10227%0.268CS..  trans-77.6152.6176.6-69.2-9.8000109.8V47 Q48 Q108 S109V47-D51 HydrophobicContact CG1-CB 3.78Å; Q48-D51 PolarHBondContact N-OD2 3.3Å; Q48-D51 WeakPolarHBondContact O-CB 3.34Å; Q48-D51 PolarHBondContact O-N 2.88Å; D51-Q108 HydrophobicContact CB-CG 4.41Å; D51-Q108 PolarHBondContact OD2-NE2 3Å; D51-S109 WeakPolarHBondContact CA-O 3.35Å; D51-S109 VanDerWaalsContact CB-O 3.28Å; D51-S109 WeakPolarHBondContact CB-O 3.41Å
52R86.7Confident86Confident120 Ų12052.9 Ų52.945%0.45328%0.281SS..EExtended strand (participates in β ladder)trans-117.9147.1169.2-66.9-169.2179.3-178.11.2109.5Y54 S109 E118R52-Y54 HydrophobicContact CB-CE2 3.77Å; R52-Y54 WeakPolarHBondContact CB-OH 3.45Å; R52-Y54 WeakPolarHBondContact CD-OH 3.43Å; R52-S109 WeakPolarHBondContact CB-OG 3.24Å; R52-S109 PolarHBondContact N-O 2.93Å; R52-S109 PolarHBondContact N-OG 3.34Å; R52-S109 PolarHBondContact O-N 3.42Å; R52-S109 PolarHBondContact O-OG 3.23Å; R52-E118 IonicContact CZ-OE1 3.83Å; R52-E118 IonicContact NH1-OE1 3.48Å; R52-E118 PolarHBondContact NH1-OE1 3.47Å; R52-E118 IonicContact NH1-OE2 2.71Å
53C93.2Very high86.1Confident0 Ų052.3 Ų52.30%027%0.271CS..EExtended strand (participates in β ladder)trans-113.8148.2174.3-66.20000110.4F44 F106 L107 Y135F44-C53 HydrophobicContact CE1-CB 4.3Å; C53-F106 HydrophobicContact CB-CE1 4.16Å; C53-F106 HydrophobicContact CB-CE2 4.06Å; C53-F106 HydrophobicContact CB-CZ 3.51Å; C53-L107 CarbonylContact C-O 3.55Å; C53-L107 WeakPolarHBondContact CA-O 3.38Å; C53-Y135 HydrophobicContact CB-CD2 4.1Å; C53-Y135 HydrophobicContact CB-CG 4.38Å; C53-Y135 WeakPolarHBondContact O-CD2 3.47Å; C53-Y135 PolarHBondContact O-N 3.14Å
54Y95.1Very high86.2Confident1 Ų152.1 Ų52.10%0.00427%0.27CS..EExtended strand (participates in β ladder)trans-138.5159.7175.9-49.8-91.2000110.3R52 F106 L107 I117 E118 L121 C133 W149R52-Y54 HydrophobicContact CB-CE2 3.77Å; R52-Y54 WeakPolarHBondContact CB-OH 3.45Å; R52-Y54 WeakPolarHBondContact CD-OH 3.43Å; Y54-F106 CarbonylContact O-C 3.57Å; Y54-F106 WeakPolarHBondContact O-CA 3.34Å; Y54-F106 WeakPolarHBondContact O-CD2 3.31Å; Y54-L107 HydrophobicContact CD2-CB 4.49Å; Y54-L107 PolarHBondContact N-O 3.43Å; Y54-L107 PolarHBondContact O-N 2.98Å; Y54-I117 HydrophobicContact CD2-CG2 3.84Å; Y54-I117 HydrophobicContact CE2-CG2 3.83Å; Y54-I117 HydrophobicContact CG-CG2 4.48Å; Y54-E118 HydrophobicContact CE1-CG 3.79Å; Y54-E118 PolarHBondContact OH-OE1 2.89Å; Y54-L121 HydrophobicContact CD1-CD1 3.72Å; Y54-L121 HydrophobicContact CD2-CD1 4.26Å; Y54-L121 HydrophobicContact CG-CD1 3.57Å; Y54-C133 CarbonylContact C-O 3.52Å; Y54-C133 WeakPolarHBondContact CA-O 3.25Å; Y54-W149 AromaticContact CD1-CZ2 3.99Å; Y54-W149 HydrophobicContact CD1-CZ2 3.99Å; Y54-W149 HydrophobicContact CE1-CZ2 4.03Å
55S96.2Very high86.3Confident0 Ų055.4 Ų55.40%029%0.291CS..EExtended strand (participates in β ladder)trans-138143.516959.30000111.3M90 Y105 V132 C133 Y135S55-M90 WeakPolarHBondContact CB-SD 3.36Å; S55-Y105 CarbonylContact C-O 3.53Å; S55-Y105 VanDerWaalsContact CA-O 3.27Å; S55-Y105 WeakPolarHBondContact CA-O 3.32Å; S55-V132 CarbonylContact O-C 3.46Å; S55-V132 WeakPolarHBondContact O-CA 3.4Å; S55-C133 PolarHBondContact N-O 2.96Å; S55-C133 PolarHBondContact O-N 3.49Å; S55-C133 WeakPolarHBondContact OG-CB 3.36Å; S55-Y135 WeakPolarHBondContact CB-OH 3.46Å; S55-Y135 WeakPolarHBondContact OG-CE2 3.32Å; S55-Y135 PolarHBondContact OG-OH 3Å
56L95.7Very high86.8Confident0 Ų051.6 Ų51.60%027%0.266CS..EExtended strand (participates in β ladder)trans-118.1122.7172.3-64.194000108.7L73 L77 G104 Y105 L107 L121 L124 L131 V132L56-L73 HydrophobicContact CB-CD2 4.41Å; L56-L73 HydrophobicContact CD2-CD1 4.47Å; L56-L77 HydrophobicContact CD1-CD1 4.4Å; L56-L77 HydrophobicContact CD1-CD2 4.49Å; L56-G104 CarbonylContact O-C 3.51Å; L56-G104 WeakPolarHBondContact O-CA 3.43Å; L56-Y105 PolarHBondContact N-O 2.98Å; L56-Y105 PolarHBondContact O-N 3.03Å; L56-L107 HydrophobicContact CD1-CD1 3.52Å; L56-L107 HydrophobicContact CD1-CG 4.11Å; L56-L121 HydrophobicContact CD1-CD2 3.55Å; L56-L121 HydrophobicContact CD2-CD2 3.8Å; L56-L121 HydrophobicContact CG-CD2 4Å; L56-L124 HydrophobicContact CD2-CB 4.44Å; L56-L124 HydrophobicContact CD2-CD1 3.8Å; L56-L131 WeakPolarHBondContact CA-O 3.23Å; L56-V132 HydrophobicContact CD2-CG2 4.31Å; L56-V132 HydrophobicContact CG-CG2 4.25Å
57L95.8Very high87.4Confident0 Ų046.4 Ų46.40%024%0.242CC..EExtended strand (participates in β ladder)trans-116.6124.1177.6-68.7166.3000110.1W12 F17 C59 M90 L102 V130 L131W12-L57 HydrophobicContact CH2-CD1 3.67Å; W12-L57 HydrophobicContact CZ2-CD1 4.2Å; F17-L57 HydrophobicContact CD1-CD1 4.26Å; F17-L57 HydrophobicContact CE1-CD1 3.81Å; L57-C59 PolarHBondContact O-N 3.43Å; L57-C59 PolarHBondContact O-SG 2.8Å; L57-M90 HydrophobicContact CD2-CG 4.47Å; L57-L102 HydrophobicContact CB-CB 4.44Å; L57-L102 HydrophobicContact CD2-CB 4.32Å; L57-V130 CarbonylContact O-C 3.51Å; L57-V130 WeakPolarHBondContact O-CA 3.38Å; L57-L131 PolarHBondContact N-O 2.98Å; L57-L131 PolarHBondContact O-N 3.38Å
58V94.6Very high87.9Confident10 Ų1048.5 Ų48.56%0.06125%0.249CC..EExtended strand (participates in β ladder)trans-75.4122.1179.9-1790000109.7F69 H70 L73 K103 V130V58-F69 HydrophobicContact CB-CD1 4.44Å; V58-F69 HydrophobicContact CG1-CD1 3.81Å; V58-F69 HydrophobicContact CG2-CD1 3.78Å; V58-F69 HydrophobicContact CG2-CE1 4.03Å; V58-H70 HydrophobicContact CB-CB 4.49Å; V58-H70 HydrophobicContact CG2-CB 3.94Å; V58-L73 HydrophobicContact CG2-CD2 4.02Å; V58-K103 PolarHBondContact N-O 3.44Å; V58-V130 HydrophobicContact CG2-CG1 4.45Å
59C89.6Confident88.6Confident1 Ų142.8 Ų42.81%0.00722%0.222CC..  trans-123.852.9-172.7-61.30000111L5 L8 L57 P129 L131L5-C59 HydrophobicContact CD2-CB 3.68Å; L8-C59 HydrophobicContact CD1-CB 3.94Å; L57-C59 PolarHBondContact O-N 3.43Å; L57-C59 PolarHBondContact O-SG 2.8Å; C59-P129 PolarHBondContact N-O 3.3Å; C59-L131 HydrophobicContact CB-CG 4.45Å; C59-L131 WeakPolarHBondContact SG-CD1 3.5Å; C59-L131 VanDerWaalsContact SG-CG 3.56Å
60S85.7Confident89.7Confident30 Ų3036.4 Ų36.421%0.2119%0.194CC..  trans-79137.6174-178.10000110.8D62 G66S60-D62 WeakPolarHBondContact CB-O 3.48Å; S60-D62 PolarHBondContact OG-N 3.43Å; S60-D62 VanDerWaalsContact OG-N 3.1Å; S60-D62 PolarHBondContact OG-O 2.86Å; S60-G66 VanDerWaalsContact CB-CA 3.45Å
61G79.8Confident90.5Very high76 Ų7632.8 Ų32.878%0.78417%0.174SC*.SBendtrans-76-12.9169.500000113.4
62D87.6Confident90.9Very high57 Ų5734.5 Ų34.531%0.30518%0.182SC..SBendtrans-111.3125.7175.7175.4-110.1000110.1S60 V64 T65 G66 Q194S60-D62 WeakPolarHBondContact CB-O 3.48Å; S60-D62 PolarHBondContact OG-N 3.43Å; S60-D62 VanDerWaalsContact OG-N 3.1Å; S60-D62 PolarHBondContact OG-O 2.86Å; D62-V64 PolarHBondContact OD1-N 2.97Å; D62-T65 WeakPolarHBondContact OD1-CB 3.49Å; D62-T65 PolarHBondContact OD1-N 3.09Å; D62-T65 PolarHBondContact OD1-OG1 3.35Å; D62-G66 PolarHBondContact O-N 2.83Å; D62-Q194 PolarHBondContact OD2-OE1 2.96Å
63R87.4Confident91.2Very high87 Ų8728.8 Ų28.833%0.32816%0.16SC..Hα-helixtrans-68.6-36-17365.3173-178.8-162.5-10.1112.7G66 D67 N178 E187 L270R63-G66 PolarHBondContact O-N 3.11Å; R63-D67 WeakPolarHBondContact O-CB 3.49Å; R63-D67 PolarHBondContact O-N 3.45Å; R63-N178 PolarHBondContact NH1-O 3.19Å; R63-E187 IonicContact CZ-OE2 3.87Å; R63-E187 IonicContact NH1-OE2 3.93Å; R63-E187 PolarHBondContact NH1-OE2 3.41Å; R63-E187 IonicContact NH2-OE2 2.68Å; R63-E187 PolarHBondContact NH2-OE2 3.49Å; R63-L270 HydrophobicContact CB-CD2 4.27Å; R63-L270 HydrophobicContact CG-CD2 3.97Å
64V90.5Very high91.2Very high5 Ų532.2 Ų32.23%0.0317%0.173CC..Hα-helixtrans-69.2-51.7-1791730000110.1D62 G66 D67 R68 V191 Q194 C195 L270 I271D62-V64 PolarHBondContact OD1-N 2.97Å; V64-G66 VanDerWaalsContact C-N 3.26Å; V64-G66 PolarHBondContact O-N 3.25Å; V64-D67 PolarHBondContact O-N 2.88Å; V64-R68 WeakPolarHBondContact O-CB 3.23Å; V64-R68 PolarHBondContact O-N 3.41Å; V64-R68 VanDerWaalsContact O-N 3.07Å; V64-V191 HydrophobicContact CG2-CG1 4.09Å; V64-V191 HydrophobicContact CG2-CG2 4.43Å; V64-Q194 HydrophobicContact CG2-CB 4.25Å; V64-C195 WeakPolarHBondContact CG1-SG 3.45Å; V64-L270 HydrophobicContact CG2-CD2 3.95Å; V64-I271 HydrophobicContact CG1-CD1 4.32Å
65T89.9Confident90.9Very high75 Ų7535.4 Ų35.446%0.4619%0.19SC..Hα-helixtrans-58.3-41.3174.6-55.20000110.9D62 F69D62-T65 WeakPolarHBondContact OD1-CB 3.49Å; D62-T65 PolarHBondContact OD1-N 3.09Å; D62-T65 PolarHBondContact OD1-OG1 3.35Å; T65-F69 WeakPolarHBondContact O-CB 3.25Å; T65-F69 PolarHBondContact O-N 2.73Å
66G90.9Very high90.7Very high10 Ų1039.7 Ų39.710%0.10321%0.206CC..Hα-helixtrans-64.5-51.3179.100000113.7S60 D62 R63 V64 R68 F69 H70S60-G66 VanDerWaalsContact CB-CA 3.45Å; D62-G66 PolarHBondContact O-N 2.83Å; R63-G66 PolarHBondContact O-N 3.11Å; V64-G66 VanDerWaalsContact C-N 3.26Å; V64-G66 PolarHBondContact O-N 3.25Å; G66-R68 VanDerWaalsContact C-N 3.33Å; G66-R68 PolarHBondContact O-N 3.11Å; G66-F69 PolarHBondContact O-N 3.26Å; G66-H70 WeakPolarHBondContact O-CB 3.48Å; G66-H70 PolarHBondContact O-N 3.47Å
67D90.5Very high90.6Very high20 Ų2039.7 Ų39.711%0.10721%0.206CC..Hα-helixtrans-64.3-40.3-178.9-165.261.7000111.2R63 V64 H70 W71 K103 P268 L270R63-D67 WeakPolarHBondContact O-CB 3.49Å; R63-D67 PolarHBondContact O-N 3.45Å; V64-D67 PolarHBondContact O-N 2.88Å; D67-H70 PolarHBondContact O-N 3.24Å; D67-W71 WeakPolarHBondContact O-CB 3.49Å; D67-W71 PolarHBondContact O-N 3.13Å; D67-K103 IonicContact OD1-NZ 3.77Å; D67-P268 WeakPolarHBondContact OD2-CB 3.4Å; D67-L270 HydrophobicContact CB-CB 4.12Å; D67-L270 HydrophobicContact CB-CD2 4.14Å; D67-L270 VanDerWaalsContact OD2-CB 3.27Å; D67-L270 WeakPolarHBondContact OD2-CB 3.34Å; D67-L270 PolarHBondContact OD2-N 2.94Å
68R91.3Very high90.3Very high61 Ų6145.5 Ų45.523%0.2323%0.233CC..Hα-helixtrans-66.2-46.9175.2-178.2178.7163.7154-5.8112.8V64 G66 H70 W71 E72 P268V64-R68 WeakPolarHBondContact O-CB 3.23Å; V64-R68 PolarHBondContact O-N 3.41Å; V64-R68 VanDerWaalsContact O-N 3.07Å; G66-R68 VanDerWaalsContact C-N 3.33Å; G66-R68 PolarHBondContact O-N 3.11Å; R68-H70 VanDerWaalsContact C-N 3.29Å; R68-H70 PolarHBondContact O-N 2.84Å; R68-W71 WeakPolarHBondContact O-CB 3.42Å; R68-W71 PolarHBondContact O-N 3.43Å; R68-W71 VanDerWaalsContact O-N 3.13Å; R68-E72 IonicContact CZ-OE1 3.13Å; R68-E72 IonicContact NE-OE1 2.83Å; R68-E72 PolarHBondContact NE-OE1 2.69Å; R68-E72 IonicContact NH2-OE1 2.8Å; R68-E72 PolarHBondContact NH2-OE1 3.25Å; R68-E72 WeakPolarHBondContact O-CG 3.35Å; R68-E72 PolarHBondContact O-N 3.29Å; R68-P268 HydrophobicContact CB-CG 4.14Å; R68-P268 HydrophobicContact CG-CG 4.33Å
69F92.9Very high90Very high16 Ų1650.4 Ų50.47%0.0726%0.264CS..Hα-helixtrans-61.9-40.6177178.4-95.4000111.1V58 T65 G66 W71 E72 L73 N128 V130V58-F69 HydrophobicContact CB-CD1 4.44Å; V58-F69 HydrophobicContact CG1-CD1 3.81Å; V58-F69 HydrophobicContact CG2-CD1 3.78Å; V58-F69 HydrophobicContact CG2-CE1 4.03Å; T65-F69 WeakPolarHBondContact O-CB 3.25Å; T65-F69 PolarHBondContact O-N 2.73Å; G66-F69 PolarHBondContact O-N 3.26Å; F69-W71 VanDerWaalsContact C-N 3.28Å; F69-W71 PolarHBondContact O-N 2.79Å; F69-E72 PolarHBondContact O-N 3.09Å; F69-L73 HydrophobicContact CE1-CB 4.24Å; F69-L73 HydrophobicContact CE1-CD1 4.49Å; F69-L73 HydrophobicContact CE1-CD2 4.05Å; F69-L73 HydrophobicContact CZ-CB 4.47Å; F69-L73 HydrophobicContact CZ-CD1 4.28Å; F69-L73 WeakPolarHBondContact O-CB 3.41Å; F69-L73 PolarHBondContact O-N 2.88Å; F69-N128 HydrophobicContact CE1-CB 4.27Å; F69-N128 HydrophobicContact CE2-CB 3.73Å; F69-N128 VanDerWaalsContact CE2-OD1 3.27Å; F69-N128 WeakPolarHBondContact CE2-OD1 3.46Å; F69-N128 HydrophobicContact CZ-CB 3.46Å; F69-N128 VanDerWaalsContact CZ-CB 3.46Å; F69-V130 HydrophobicContact CD1-CG1 4.34Å; F69-V130 HydrophobicContact CE1-CG1 3.31Å; F69-V130 HydrophobicContact CZ-CG1 3.86Å
70H93.8Very high90Very high28 Ų2855 Ų5513%0.1329%0.285CS..Hα-helixtrans-58.5-39.9173.4170.9-95.8000112.6V58 G66 D67 R68 Y105V58-H70 HydrophobicContact CB-CB 4.49Å; V58-H70 HydrophobicContact CG2-CB 3.94Å; G66-H70 WeakPolarHBondContact O-CB 3.48Å; G66-H70 PolarHBondContact O-N 3.47Å; D67-H70 PolarHBondContact O-N 3.24Å; R68-H70 VanDerWaalsContact C-N 3.29Å; R68-H70 PolarHBondContact O-N 2.84Å; H70-Y105 AromaticContact CD2-CE2 3.83Å; H70-Y105 PolarHBondContact CE1-OH 3.48Å; H70-Y105 VanDerWaalsContact CE1-OH 3.31Å; H70-Y105 AromaticContact NE2-CE2 3.83Å; H70-Y105 AromaticContact NE2-CZ 3.59Å; H70-Y105 PolarHBondContact NE2-OH 3.49Å; H70-Y105 WeakPolarHBondContact O-CE2 3.45Å; H70-Y105 PolarHBondContact O-OH 3.32Å
71W90.2Very high90.2Very high72 Ų7254.5 Ų54.527%0.27328%0.28SS..Hα-helixtrans-65-50.8175.5-173.4-91.4000111.9D67 R68 F69 L73 R74 P268 P269D67-W71 WeakPolarHBondContact O-CB 3.49Å; D67-W71 PolarHBondContact O-N 3.13Å; R68-W71 WeakPolarHBondContact O-CB 3.42Å; R68-W71 PolarHBondContact O-N 3.43Å; R68-W71 VanDerWaalsContact O-N 3.13Å; F69-W71 VanDerWaalsContact C-N 3.28Å; F69-W71 PolarHBondContact O-N 2.79Å; W71-L73 VanDerWaalsContact C-N 3.31Å; W71-L73 PolarHBondContact O-N 2.75Å; W71-R74 WeakPolarHBondContact O-CB 3.39Å; W71-R74 PolarHBondContact O-N 3.19Å; W71-P268 HydrophobicContact CB-CB 4.12Å; W71-P268 HydrophobicContact CB-CG 3.74Å; W71-P268 HydrophobicContact CD2-CB 4.45Å; W71-P268 HydrophobicContact CD2-CG 4.4Å; W71-P268 HydrophobicContact CG-CB 4.29Å; W71-P268 HydrophobicContact CG-CG 3.85Å; W71-P269 HydrophobicContact CZ3-CG 4.47Å
72E92.1Very high90.5Very high56 Ų5651.6 Ų51.626%0.26225%0.247SC..Hα-helixtrans-63.6-35.2177.7-68.2178.7-163.700112.6R68 F69 R74 D75 R76R68-E72 IonicContact CZ-OE1 3.13Å; R68-E72 IonicContact NE-OE1 2.83Å; R68-E72 PolarHBondContact NE-OE1 2.69Å; R68-E72 IonicContact NH2-OE1 2.8Å; R68-E72 PolarHBondContact NH2-OE1 3.25Å; R68-E72 WeakPolarHBondContact O-CG 3.35Å; R68-E72 PolarHBondContact O-N 3.29Å; F69-E72 PolarHBondContact O-N 3.09Å; E72-R74 PolarHBondContact O-N 2.88Å; E72-D75 PolarHBondContact O-N 3.05Å; E72-R76 WeakPolarHBondContact O-CG 3.47Å; E72-R76 PolarHBondContact O-N 3.01Å; E72-R76 IonicContact OE2-CZ 2.66Å; E72-R76 IonicContact OE2-NH2 3.89Å; E72-R76 PolarHBondContact OE2-NH2 3.4Å
73L93.3Very high90.3Very high0 Ų054.7 Ų54.70%027%0.27CS..Hα-helixtrans-60.2-35.1-179.7178.663.1000111.5L56 V58 F69 W71 D75 R76 L77 Y105 L124L56-L73 HydrophobicContact CB-CD2 4.41Å; L56-L73 HydrophobicContact CD2-CD1 4.47Å; V58-L73 HydrophobicContact CG2-CD2 4.02Å; F69-L73 HydrophobicContact CE1-CB 4.24Å; F69-L73 HydrophobicContact CE1-CD1 4.49Å; F69-L73 HydrophobicContact CE1-CD2 4.05Å; F69-L73 HydrophobicContact CZ-CB 4.47Å; F69-L73 HydrophobicContact CZ-CD1 4.28Å; F69-L73 WeakPolarHBondContact O-CB 3.41Å; F69-L73 PolarHBondContact O-N 2.88Å; W71-L73 VanDerWaalsContact C-N 3.31Å; W71-L73 PolarHBondContact O-N 2.75Å; L73-D75 PolarHBondContact O-N 3.25Å; L73-R76 PolarHBondContact O-N 3Å; L73-L77 HydrophobicContact CD1-CD1 4.01Å; L73-L77 HydrophobicContact CD1-CD2 4.38Å; L73-L77 HydrophobicContact CD1-CG 3.9Å; L73-L77 HydrophobicContact CD2-CD1 4.43Å; L73-L77 HydrophobicContact CG-CD1 3.84Å; L73-L77 HydrophobicContact CG-CG 4.18Å; L73-L77 WeakPolarHBondContact O-CB 3.49Å; L73-L77 VanDerWaalsContact O-CG 3.23Å; L73-L77 WeakPolarHBondContact O-CG 3.27Å; L73-L77 PolarHBondContact O-N 3.47Å; L73-Y105 HydrophobicContact CB-CE2 4.14Å; L73-Y105 HydrophobicContact CD2-CD2 3.81Å; L73-Y105 HydrophobicContact CD2-CE2 4.02Å; L73-Y105 HydrophobicContact CG-CD2 3.96Å; L73-Y105 HydrophobicContact CG-CE2 4Å; L73-L124 HydrophobicContact CD1-CD1 4.12Å; L73-L124 HydrophobicContact CD1-CD2 4.36Å
74R91.7Very high89.9Confident72 Ų7253.1 Ų53.127%0.27228%0.281SS..Hα-helixtrans-56.1-54.1175.8-166.9-176.959.1-151.3-11.4111.1W71 E72 R76 L77 Q78 Y105W71-R74 WeakPolarHBondContact O-CB 3.39Å; W71-R74 PolarHBondContact O-N 3.19Å; E72-R74 PolarHBondContact O-N 2.88Å; R74-R76 VanDerWaalsContact C-N 3.32Å; R74-R76 PolarHBondContact O-N 3.21Å; R74-L77 PolarHBondContact O-N 2.96Å; R74-Q78 WeakPolarHBondContact O-CG 3.14Å; R74-Q78 PolarHBondContact O-N 2.81Å; R74-Y105 HydrophobicContact CB-CE1 4.18Å; R74-Y105 HydrophobicContact CB-CE2 4.32Å; R74-Y105 VanDerWaalsContact CB-OH 3.31Å; R74-Y105 WeakPolarHBondContact CB-OH 3.11Å; R74-Y105 HydrophobicContact CG-CE1 4.01Å
75D89.9Confident89.7Confident68 Ų6854 Ų5436%0.36429%0.288SS..Hα-helixtrans-70.1-35.8-172.6-59.5-8.5000109.8E72 L73 Q78 T79E72-D75 PolarHBondContact O-N 3.05Å; L73-D75 PolarHBondContact O-N 3.25Å; D75-Q78 PolarHBondContact O-N 2.86Å; D75-T79 WeakPolarHBondContact O-CB 3.14Å; D75-T79 VanDerWaalsContact O-CG2 3.29Å; D75-T79 WeakPolarHBondContact O-CG2 3.29Å; D75-T79 PolarHBondContact O-N 2.82Å; D75-T79 VanDerWaalsContact O-N 3.08Å; D75-T79 PolarHBondContact O-OG1 2.83Å
76R91.9Very high89.6Confident89 Ų8951.8 Ų51.834%0.33628%0.279SS..Hα-helixtrans-61.6-47.4171.3-68.8-178.6-166-170.19.1112.1E72 L73 R74 T79 Q80E72-R76 WeakPolarHBondContact O-CG 3.47Å; E72-R76 PolarHBondContact O-N 3.01Å; E72-R76 IonicContact OE2-CZ 2.66Å; E72-R76 IonicContact OE2-NH2 3.89Å; E72-R76 PolarHBondContact OE2-NH2 3.4Å; L73-R76 PolarHBondContact O-N 3Å; R74-R76 VanDerWaalsContact C-N 3.32Å; R74-R76 PolarHBondContact O-N 3.21Å; R76-T79 WeakPolarHBondContact CA-OG1 3.44Å; R76-T79 PolarHBondContact O-N 2.86Å; R76-T79 PolarHBondContact O-OG1 3.18Å; R76-Q80 WeakPolarHBondContact O-CB 3.04Å; R76-Q80 WeakPolarHBondContact O-CG 3.38Å; R76-Q80 PolarHBondContact O-N 3.14Å
77L92.3Very high89.6Confident0 Ų053.6 Ų53.60%029%0.286CS..Hα-helixtrans-64-43.7178.3-71.1174.1000111L56 L73 R74 T79 Q80 L81 L87 Y105 L107 L124L56-L77 HydrophobicContact CD1-CD1 4.4Å; L56-L77 HydrophobicContact CD1-CD2 4.49Å; L73-L77 HydrophobicContact CD1-CD1 4.01Å; L73-L77 HydrophobicContact CD1-CD2 4.38Å; L73-L77 HydrophobicContact CD1-CG 3.9Å; L73-L77 HydrophobicContact CD2-CD1 4.43Å; L73-L77 HydrophobicContact CG-CD1 3.84Å; L73-L77 HydrophobicContact CG-CG 4.18Å; L73-L77 WeakPolarHBondContact O-CB 3.49Å; L73-L77 VanDerWaalsContact O-CG 3.23Å; L73-L77 WeakPolarHBondContact O-CG 3.27Å; L73-L77 PolarHBondContact O-N 3.47Å; R74-L77 PolarHBondContact O-N 2.96Å; L77-T79 PolarHBondContact O-N 3.37Å; L77-Q80 PolarHBondContact O-N 2.85Å; L77-L81 HydrophobicContact CB-CD1 3.9Å; L77-L81 HydrophobicContact CB-CG 4.44Å; L77-L81 HydrophobicContact CD2-CD1 4.29Å; L77-L81 HydrophobicContact CD2-CG 4.44Å; L77-L81 WeakPolarHBondContact O-CB 3.4Å; L77-L81 VanDerWaalsContact O-CD1 3.31Å; L77-L81 WeakPolarHBondContact O-CD1 3.37Å; L77-L81 WeakPolarHBondContact O-CG 3.39Å; L77-L81 PolarHBondContact O-N 2.9Å; L77-L87 HydrophobicContact CB-CD1 4.21Å; L77-L87 HydrophobicContact CB-CD2 4.2Å; L77-L87 HydrophobicContact CD1-CD1 3.92Å; L77-Y105 HydrophobicContact CD1-CD2 3.69Å; L77-Y105 HydrophobicContact CD1-CG 3.89Å; L77-L107 HydrophobicContact CD2-CD1 4.49Å; L77-L124 HydrophobicContact CD2-CD1 4.02Å
78Q89.7Confident89.7Confident122 Ų12255.8 Ų55.857%0.5729%0.293SS*.Hα-helixtrans-62.2-30.9178.2-74177.6-20.500113.6R74 D75 L87R74-Q78 WeakPolarHBondContact O-CG 3.14Å; R74-Q78 PolarHBondContact O-N 2.81Å; D75-Q78 PolarHBondContact O-N 2.86Å; Q78-L87 HydrophobicContact CG-CD2 3.51Å
79T89.6Confident89.8Confident114 Ų11456 Ų5670%0.69930%0.304SS*.Hα-helixtrans-88.6-31.7-178.149.20000113.6D75 R76 L77D75-T79 WeakPolarHBondContact O-CB 3.14Å; D75-T79 VanDerWaalsContact O-CG2 3.29Å; D75-T79 WeakPolarHBondContact O-CG2 3.29Å; D75-T79 PolarHBondContact O-N 2.82Å; D75-T79 VanDerWaalsContact O-N 3.08Å; D75-T79 PolarHBondContact O-OG1 2.83Å; R76-T79 WeakPolarHBondContact CA-OG1 3.44Å; R76-T79 PolarHBondContact O-N 2.86Å; R76-T79 PolarHBondContact O-OG1 3.18Å; L77-T79 PolarHBondContact O-N 3.37Å
80Q89.6Confident89.9Confident98 Ų9855.5 Ų55.546%0.45830%0.302SS..Hα-helixtrans-96.5-24.6-174.7-64.5-179.93.100113.6R76 L77 I120R76-Q80 WeakPolarHBondContact O-CB 3.04Å; R76-Q80 WeakPolarHBondContact O-CG 3.38Å; R76-Q80 PolarHBondContact O-N 3.14Å; L77-Q80 PolarHBondContact O-N 2.85Å; Q80-I120 HydrophobicContact CB-CD1 4.31Å; Q80-I120 WeakPolarHBondContact O-CD1 3.36Å
81L89.3Confident90Very high19 Ų1955 Ų5510%0.09930%0.301CS..SBendtrans-71.3144.4-178.4-70.7170.3000111.6L77 L87 L107 I117L77-L81 HydrophobicContact CB-CD1 3.9Å; L77-L81 HydrophobicContact CB-CG 4.44Å; L77-L81 HydrophobicContact CD2-CD1 4.29Å; L77-L81 HydrophobicContact CD2-CG 4.44Å; L77-L81 WeakPolarHBondContact O-CB 3.4Å; L77-L81 VanDerWaalsContact O-CD1 3.31Å; L77-L81 WeakPolarHBondContact O-CD1 3.37Å; L77-L81 WeakPolarHBondContact O-CG 3.39Å; L77-L81 PolarHBondContact O-N 2.9Å; L81-L87 HydrophobicContact CD1-CD1 4.47Å; L81-L107 HydrophobicContact CD1-CD1 4.38Å; L81-L107 HydrophobicContact CD1-CD2 3.44Å; L81-L107 VanDerWaalsContact CD1-CD2 3.44Å; L81-L107 HydrophobicContact CD2-CD1 4.22Å; L81-I117 HydrophobicContact CD2-CD1 4.47Å; L81-I117 HydrophobicContact CD2-CG1 3.97Å; L81-I117 HydrophobicContact CD2-CG2 4.47Å
82P86.4Confident90.3Very high14 Ų1451.6 Ų51.69%0.09129%0.288CS..PPolyproline II helixtrans-57145.9175.8-27.137000112.4G84 S85 N113 L116 I117P82-G84 PolarHBondContact O-N 2.86Å; P82-S85 VanDerWaalsContact O-CB 3.29Å; P82-S85 WeakPolarHBondContact O-CB 3.35Å; P82-S85 PolarHBondContact O-N 3.2Å; P82-S85 VanDerWaalsContact O-N 3.14Å; P82-S85 PolarHBondContact O-OG 2.83Å; P82-N113 HydrophobicContact CB-CB 4.32Å; P82-N113 HydrophobicContact CG-CB 4.15Å; P82-L116 HydrophobicContact CG-CD2 3.71Å; P82-L116 HydrophobicContact CG-CG 4.3Å; P82-I117 HydrophobicContact CG-CG1 4.27Å
83P83.1Confident90.4Very high122 Ų12249.4 Ų49.479%0.79228%0.278SS*.THydrogen-bonded Turntrans-52.5138.9174.3-25.333.8000111.9S85P83-S85 VanDerWaalsContact C-N 3.31Å
84G79.7Confident90.5Very high54 Ų5450.3 Ų50.356%0.55728%0.283SS*.THydrogen-bonded Turntrans83.7-1.1-17800000115.1P82 G86 Q110P82-G84 PolarHBondContact O-N 2.86Å; G84-G86 PolarHBondContact O-N 2.81Å; G84-Q110 PolarHBondContact O-NE2 3.17Å
85S84.9Confident90.5Very high25 Ų2549.4 Ų49.418%0.17529%0.286CS..  trans-67.1127.7170.6-57.30000110.7P82 P83 L87P82-S85 VanDerWaalsContact O-CB 3.29Å; P82-S85 WeakPolarHBondContact O-CB 3.35Å; P82-S85 PolarHBondContact O-N 3.2Å; P82-S85 VanDerWaalsContact O-N 3.14Å; P82-S85 PolarHBondContact O-OG 2.83Å; P83-S85 VanDerWaalsContact C-N 3.31Å; S85-L87 PolarHBondContact O-N 2.84Å
86G87.6Confident90.5Very high27 Ų2751.2 Ų51.228%0.27830%0.296SS..EExtended strand (participates in β ladder)trans-78.8111.5175.700000110.5G84 L107 Q108G84-G86 PolarHBondContact O-N 2.81Å; G86-L107 CarbonylContact O-C 3.59Å; G86-L107 VanDerWaalsContact O-CA 3.3Å; G86-L107 WeakPolarHBondContact O-CA 3.27Å; G86-Q108 PolarHBondContact N-O 3.09Å; G86-Q108 PolarHBondContact O-N 3.21Å
87L92.1Very high90.5Very high48 Ų4850.4 Ų50.425%0.25130%0.296SS..EExtended strand (participates in β ladder)trans-105.4117.4173.9177.970.1000109.6L77 Q78 L81 S85 Y105 L107L77-L87 HydrophobicContact CB-CD1 4.21Å; L77-L87 HydrophobicContact CB-CD2 4.2Å; L77-L87 HydrophobicContact CD1-CD1 3.92Å; Q78-L87 HydrophobicContact CG-CD2 3.51Å; L81-L87 HydrophobicContact CD1-CD1 4.47Å; S85-L87 PolarHBondContact O-N 2.84Å; L87-Y105 HydrophobicContact CD1-CD1 3.98Å; L87-Y105 HydrophobicContact CD1-CG 3.97Å; L87-Y105 HydrophobicContact CG-CD1 4.41Å; L87-L107 HydrophobicContact CB-CD2 4.33Å; L87-L107 HydrophobicContact CD1-CD2 3.29Å; L87-L107 HydrophobicContact CG-CD2 4.4Å
88R93.1Very high90.4Very high67 Ų6756.5 Ų56.525%0.25332%0.323SS..EExtended strand (participates in β ladder)trans-122.9149.7178.7-61.5-178.1-176.2-175.9-1.3110.4V19 E20 V21 Y105 F106V19-R88 HydrophobicContact CG1-CB 3.9Å; E20-R88 WeakPolarHBondContact O-CD 3.28Å; V21-R88 VanDerWaalsContact CG2-NH1 3.27Å; R88-Y105 CarbonylContact O-C 3.46Å; R88-Y105 WeakPolarHBondContact O-CA 3.45Å; R88-F106 PolarHBondContact N-O 3.26Å; R88-F106 PolarHBondContact O-N 2.94Å
89S93.4Very high90.3Very high64 Ų6453.7 Ų53.745%0.44833%0.326SS..EExtended strand (participates in β ladder)trans-68.8140172.9-66.70000109.9E20E20-S89 PolarHBondContact N-O 2.92Å
90M95.1Very high90.4Very high7 Ų748.8 Ų48.83%0.03430%0.297CS..EExtended strand (participates in β ladder)trans-133150.6178.5-173.1175.9-145.800111F17 S18 V19 F28 S55 L57 G104 F106F17-M90 HydrophobicContact CB-CE 3.84Å; F17-M90 HydrophobicContact CD1-CE 3.92Å; F17-M90 HydrophobicContact CG-CE 4.27Å; S18-M90 CarbonylContact O-C 3.57Å; S18-M90 VanDerWaalsContact O-CA 3.23Å; S18-M90 WeakPolarHBondContact O-CA 3.4Å; S18-M90 WeakPolarHBondContact O-CG 3.35Å; V19-M90 HydrophobicContact CG2-CB 4.45Å; V19-M90 HydrophobicContact CG2-CE 3.62Å; V19-M90 HydrophobicContact CG2-CG 3.98Å; V19-M90 HydrophobicContact CG2-SD 4.25Å; F28-M90 HydrophobicContact CE1-CE 3.64Å; F28-M90 HydrophobicContact CZ-CE 3.43Å; F28-M90 VanDerWaalsContact CZ-CE 3.43Å; S55-M90 WeakPolarHBondContact CB-SD 3.36Å; L57-M90 HydrophobicContact CD2-CG 4.47Å; M90-G104 PolarHBondContact N-O 2.83Å; M90-G104 CarbonylContact O-C 3.57Å; M90-G104 PolarHBondContact O-N 3.24Å; M90-F106 HydrophobicContact CB-CB 4.04Å; M90-F106 HydrophobicContact CE-CD2 3.93Å; M90-F106 HydrophobicContact CG-CB 4.46Å; M90-F106 HydrophobicContact SD-CB 4.06Å; M90-F106 HydrophobicContact SD-CD2 4.02Å
91S95.4Very high90.5Very high17 Ų1745.6 Ų45.612%0.11928%0.282CS..EExtended strand (participates in β ladder)trans-136.9160.9162.861.70000112.1F17 S18 L102F17-S91 CarbonylContact C-O 3.47Å; F17-S91 WeakPolarHBondContact CA-O 3.36Å; S18-S91 PolarHBondContact N-O 3.09Å; S18-S91 PolarHBondContact O-N 3.08Å; S91-L102 CarbonylContact C-O 3.6Å; S91-L102 WeakPolarHBondContact CA-O 3.48Å; S91-L102 VanDerWaalsContact CB-O 3.31Å; S91-L102 WeakPolarHBondContact CB-O 3.4Å
92S96Very high90.8Very high0 Ų045.5 Ų45.50%028%0.282CS..EExtended strand (participates in β ladder)trans-132.3132.1169.2-169.50000108.7R15 V16 F17 L102R15-S92 PolarHBondContact NH1-O 3.49Å; R15-S92 VanDerWaalsContact NH1-O 3.09Å; R15-S92 PolarHBondContact NH1-OG 2.87Å; R15-S92 PolarHBondContact NH2-O 2.62Å; V16-S92 CarbonylContact O-C 3.55Å; V16-S92 VanDerWaalsContact O-CA 3.26Å; V16-S92 WeakPolarHBondContact O-CA 3.36Å; V16-S92 PolarHBondContact O-OG 2.94Å; F17-S92 WeakPolarHBondContact CD1-OG 3.16Å; F17-S92 WeakPolarHBondContact CE1-OG 3.37Å; S92-L102 PolarHBondContact N-O 3.48Å; S92-L102 PolarHBondContact O-N 3.33Å
93F95.4Very high91.2Very high10 Ų1048 Ų484%0.04429%0.292CS..EExtended strand (participates in β ladder)trans-142.9164.3179.358.2-76.4000111.1R15 V16 Y27 P95 L101 P167 P171R15-F93 WeakPolarHBondContact CA-O 3.28Å; R15-F93 PolarHBondContact NH1-O 3.06Å; V16-F93 HydrophobicContact CB-CE1 4.08Å; V16-F93 HydrophobicContact CB-CE2 4.02Å; V16-F93 HydrophobicContact CB-CZ 3.67Å; V16-F93 HydrophobicContact CG1-CE1 3.97Å; V16-F93 HydrophobicContact CG1-CE2 4.32Å; V16-F93 HydrophobicContact CG1-CZ 3.56Å; V16-F93 PolarHBondContact N-O 3.42Å; V16-F93 PolarHBondContact O-N 3.32Å; Y27-F93 HydrophobicContact CD1-CE1 4.37Å; Y27-F93 HydrophobicContact CD1-CZ 4.19Å; Y27-F93 HydrophobicContact CE1-CE1 4.24Å; Y27-F93 HydrophobicContact CE1-CZ 4.1Å; F93-P95 HydrophobicContact CE2-CG 4.31Å; F93-L101 HydrophobicContact CB-CD1 4.14Å; F93-P167 HydrophobicContact CE2-CB 4.2Å; F93-P167 HydrophobicContact CE2-CG 3.83Å; F93-P167 HydrophobicContact CZ-CB 4.34Å; F93-P167 HydrophobicContact CZ-CG 3.52Å; F93-P171 HydrophobicContact CD1-CB 3.5Å; F93-P171 VanDerWaalsContact CD1-CB 3.5Å; F93-P171 HydrophobicContact CD1-CG 3.65Å; F93-P171 HydrophobicContact CD2-CB 4.47Å; F93-P171 HydrophobicContact CE1-CB 3.75Å; F93-P171 HydrophobicContact CE1-CG 3.31Å; F93-P171 HydrophobicContact CE2-CG 4.39Å; F93-P171 HydrophobicContact CG-CB 3.93Å; F93-P171 HydrophobicContact CG-CG 4.36Å; F93-P171 HydrophobicContact CZ-CB 4.32Å; F93-P171 HydrophobicContact CZ-CG 3.73Å
94I94.4Very high91.8Very high20 Ų2042.2 Ų42.210%0.10325%0.254CS..  trans-100122.3167.6-61177.3000106.2R11 R15 D96 Q97 S100R11-I94 HydrophobicContact CB-CD1 4.31Å; R11-I94 VanDerWaalsContact CZ-CD1 3.41Å; R15-I94 HydrophobicContact CG-CG1 4.03Å; I94-D96 PolarHBondContact O-N 2.84Å; I94-Q97 HydrophobicContact CB-CB 4.01Å; I94-Q97 HydrophobicContact CG2-CB 4.02Å; I94-Q97 PolarHBondContact O-N 2.99Å; I94-Q97 VanDerWaalsContact O-N 3.15Å; I94-S100 PolarHBondContact N-OG 2.81Å; I94-S100 PolarHBondContact O-OG 3.48Å; I94-S100 VanDerWaalsContact O-OG 3.11Å
95P92.1Very high92.6Very high53 Ų5340.1 Ų40.134%0.34423%0.229SC..THydrogen-bonded Turntrans-50.9139-179.6-28.435.6000112V16 F93 Q97V16-P95 HydrophobicContact CB-CG 4.43Å; V16-P95 HydrophobicContact CG2-CG 3.6Å; F93-P95 HydrophobicContact CE2-CG 4.31Å; P95-Q97 PolarHBondContact O-N 3.08Å
96D90Very high93.1Very high106 Ų10639.1 Ų39.157%0.56722%0.222SC*.THydrogen-bonded Turntrans59.411.6178.1-54.7-35.4000115.4I94I94-D96 PolarHBondContact O-N 2.84Å
97Q91.5Very high93.4Very high71 Ų7137.9 Ų37.933%0.33221%0.209SC..  trans-109.4112.1177.6-173.51713.600112.5R11 I94 P95 S100R11-Q97 VanDerWaalsContact CZ-OE1 3.23Å; R11-Q97 VanDerWaalsContact NH1-NE2 3.14Å; I94-Q97 HydrophobicContact CB-CB 4.01Å; I94-Q97 HydrophobicContact CG2-CB 4.02Å; I94-Q97 PolarHBondContact O-N 2.99Å; I94-Q97 VanDerWaalsContact O-N 3.15Å; P95-Q97 PolarHBondContact O-N 3.08Å; Q97-S100 WeakPolarHBondContact O-CB 3.47Å; Q97-S100 PolarHBondContact O-N 3.48Å; Q97-S100 PolarHBondContact O-OG 3.37Å
98K89.4Confident93.2Very high129 Ų12937.2 Ų37.256%0.56120%0.204SC*.THydrogen-bonded Turntrans-58.4140.4171.9180162-167.7-1780111.6S100 L174K98-S100 PolarHBondContact O-N 3.27Å; K98-L174 WeakPolarHBondContact CG-O 3.41Å
99G87.6Confident92.8Very high62 Ų6234 Ų3464%0.63919%0.192SC*.THydrogen-bonded Turntrans73.38.6178.700000114.8N175G99-N175 WeakPolarHBondContact CA-OD1 3.3Å; G99-N175 PolarHBondContact N-OD1 3.07Å
100S91.9Very high92.2Very high12 Ų1235.7 Ų35.78%0.08419%0.193CC..  trans-91.4-4.7-179.3720000114R15 I94 Q97 K98 L102R15-S100 PolarHBondContact NH2-O 2.93Å; I94-S100 PolarHBondContact N-OG 2.81Å; I94-S100 PolarHBondContact O-OG 3.48Å; I94-S100 VanDerWaalsContact O-OG 3.11Å; Q97-S100 WeakPolarHBondContact O-CB 3.47Å; Q97-S100 PolarHBondContact O-N 3.48Å; Q97-S100 PolarHBondContact O-OG 3.37Å; K98-S100 PolarHBondContact O-N 3.27Å; S100-L102 PolarHBondContact O-N 3.48Å
101L93.1Very high91.1Very high30 Ų3037.8 Ų37.816%0.15721%0.211CC..  trans-74.2123.9-176-179.770.1000111.2F93 K103 P171 N175F93-L101 HydrophobicContact CB-CD1 4.14Å; L101-K103 HydrophobicContact CD2-CG 4.42Å; L101-K103 HydrophobicContact CG-CG 4.42Å; L101-P171 HydrophobicContact CD1-CB 3.79Å; L101-N175 WeakPolarHBondContact CB-ND2 3.17Å; L101-N175 HydrophobicContact CD2-CB 4.3Å
102L94.4Very high90.1Very high17 Ų1740.3 Ų40.39%0.08924%0.24CC..EExtended strand (participates in β ladder)trans-108.5130.8166.1-57.3175.9000107.8L8 L57 S91 S92 S100L8-L102 HydrophobicContact CD1-CD1 4.33Å; L8-L102 HydrophobicContact CD2-CD1 4.27Å; L57-L102 HydrophobicContact CB-CB 4.44Å; L57-L102 HydrophobicContact CD2-CB 4.32Å; S91-L102 CarbonylContact C-O 3.6Å; S91-L102 WeakPolarHBondContact CA-O 3.48Å; S91-L102 VanDerWaalsContact CB-O 3.31Å; S91-L102 WeakPolarHBondContact CB-O 3.4Å; S92-L102 PolarHBondContact N-O 3.48Å; S92-L102 PolarHBondContact O-N 3.33Å; S100-L102 PolarHBondContact O-N 3.48Å
103K94.5Very high89.4Confident68 Ų6842.5 Ų42.530%0.29625%0.252SS..EExtended strand (participates in β ladder)trans-100153.7175.3-61.8-178.5-176.1172.40109.9V58 D67 L101V58-K103 PolarHBondContact N-O 3.44Å; D67-K103 IonicContact OD1-NZ 3.77Å; L101-K103 HydrophobicContact CD2-CG 4.42Å; L101-K103 HydrophobicContact CG-CG 4.42Å
104G96Very high88.7Confident0 Ų042.7 Ų42.70%026%0.255CS..EExtended strand (participates in β ladder)trans-180-163.2-173.700000113.4L56 M90L56-G104 CarbonylContact O-C 3.51Å; L56-G104 WeakPolarHBondContact O-CA 3.43Å; M90-G104 PolarHBondContact N-O 2.83Å; M90-G104 CarbonylContact O-C 3.57Å; M90-G104 PolarHBondContact O-N 3.24Å
105Y96.3Very high88.3Confident10 Ų1045.5 Ų45.54%0.03928%0.276CS..EExtended strand (participates in β ladder)trans-134145.4-177.5-59.9-78.2000111.1S55 L56 H70 L73 R74 L77 L87 R88S55-Y105 CarbonylContact C-O 3.53Å; S55-Y105 VanDerWaalsContact CA-O 3.27Å; S55-Y105 WeakPolarHBondContact CA-O 3.32Å; L56-Y105 PolarHBondContact N-O 2.98Å; L56-Y105 PolarHBondContact O-N 3.03Å; H70-Y105 AromaticContact CD2-CE2 3.83Å; H70-Y105 PolarHBondContact CE1-OH 3.48Å; H70-Y105 VanDerWaalsContact CE1-OH 3.31Å; H70-Y105 AromaticContact NE2-CE2 3.83Å; H70-Y105 AromaticContact NE2-CZ 3.59Å; H70-Y105 PolarHBondContact NE2-OH 3.49Å; H70-Y105 WeakPolarHBondContact O-CE2 3.45Å; H70-Y105 PolarHBondContact O-OH 3.32Å; L73-Y105 HydrophobicContact CB-CE2 4.14Å; L73-Y105 HydrophobicContact CD2-CD2 3.81Å; L73-Y105 HydrophobicContact CD2-CE2 4.02Å; L73-Y105 HydrophobicContact CG-CD2 3.96Å; L73-Y105 HydrophobicContact CG-CE2 4Å; R74-Y105 HydrophobicContact CB-CE1 4.18Å; R74-Y105 HydrophobicContact CB-CE2 4.32Å; R74-Y105 VanDerWaalsContact CB-OH 3.31Å; R74-Y105 WeakPolarHBondContact CB-OH 3.11Å; R74-Y105 HydrophobicContact CG-CE1 4.01Å; L77-Y105 HydrophobicContact CD1-CD2 3.69Å; L77-Y105 HydrophobicContact CD1-CG 3.89Å; L87-Y105 HydrophobicContact CD1-CD1 3.98Å; L87-Y105 HydrophobicContact CD1-CG 3.97Å; L87-Y105 HydrophobicContact CG-CD1 4.41Å; R88-Y105 CarbonylContact O-C 3.46Å; R88-Y105 WeakPolarHBondContact O-CA 3.45Å
106F95.6Very high88.1Confident4 Ų447 Ų472%0.01828%0.281CS..EExtended strand (participates in β ladder)trans-108.5133.8172.1-174-96000109V19 F44 C53 Y54 R88 M90 Y135V19-F106 HydrophobicContact CG1-CB 3.89Å; V19-F106 HydrophobicContact CG1-CD1 4.03Å; V19-F106 HydrophobicContact CG1-CG 4.04Å; V19-F106 HydrophobicContact CG2-CB 3.92Å; V19-F106 HydrophobicContact CG2-CD1 4.47Å; V19-F106 HydrophobicContact CG2-CD2 3.95Å; V19-F106 HydrophobicContact CG2-CG 3.87Å; F44-F106 HydrophobicContact CD1-CZ 4.47Å; F44-F106 HydrophobicContact CE1-CE2 4.17Å; F44-F106 AromaticContact CE1-CZ 3.79Å; F44-F106 HydrophobicContact CE1-CZ 3.79Å; F44-F106 HydrophobicContact CZ-CE2 4.36Å; F44-F106 HydrophobicContact CZ-CZ 4.34Å; C53-F106 HydrophobicContact CB-CE1 4.16Å; C53-F106 HydrophobicContact CB-CE2 4.06Å; C53-F106 HydrophobicContact CB-CZ 3.51Å; Y54-F106 CarbonylContact O-C 3.57Å; Y54-F106 WeakPolarHBondContact O-CA 3.34Å; Y54-F106 WeakPolarHBondContact O-CD2 3.31Å; R88-F106 PolarHBondContact N-O 3.26Å; R88-F106 PolarHBondContact O-N 2.94Å; M90-F106 HydrophobicContact CB-CB 4.04Å; M90-F106 HydrophobicContact CE-CD2 3.93Å; M90-F106 HydrophobicContact CG-CB 4.46Å; M90-F106 HydrophobicContact SD-CB 4.06Å; M90-F106 HydrophobicContact SD-CD2 4.02Å; F106-Y135 HydrophobicContact CD2-CE2 4.29Å; F106-Y135 HydrophobicContact CE2-CD2 4.08Å; F106-Y135 AromaticContact CE2-CE2 3.85Å; F106-Y135 HydrophobicContact CE2-CE2 3.85Å
107L93.4Very high88.1Confident1 Ų142 Ų421%0.00525%0.254CS..EExtended strand (participates in β ladder)trans-118.8136.5-174.6-59.7178.6000109.9C53 Y54 L56 L77 L81 G86 L87 L121C53-L107 CarbonylContact C-O 3.55Å; C53-L107 WeakPolarHBondContact CA-O 3.38Å; Y54-L107 HydrophobicContact CD2-CB 4.49Å; Y54-L107 PolarHBondContact N-O 3.43Å; Y54-L107 PolarHBondContact O-N 2.98Å; L56-L107 HydrophobicContact CD1-CD1 3.52Å; L56-L107 HydrophobicContact CD1-CG 4.11Å; L77-L107 HydrophobicContact CD2-CD1 4.49Å; L81-L107 HydrophobicContact CD1-CD1 4.38Å; L81-L107 HydrophobicContact CD1-CD2 3.44Å; L81-L107 VanDerWaalsContact CD1-CD2 3.44Å; L81-L107 HydrophobicContact CD2-CD1 4.22Å; G86-L107 CarbonylContact O-C 3.59Å; G86-L107 VanDerWaalsContact O-CA 3.3Å; G86-L107 WeakPolarHBondContact O-CA 3.27Å; L87-L107 HydrophobicContact CB-CD2 4.33Å; L87-L107 HydrophobicContact CD1-CD2 3.29Å; L87-L107 HydrophobicContact CG-CD2 4.4Å; L107-L121 HydrophobicContact CD1-CD1 4.29Å; L107-L121 HydrophobicContact CD1-CD2 3.84Å
108Q89.6Confident88.1Confident33 Ų3341.3 Ų41.315%0.15425%0.25CS..EExtended strand (participates in β ladder)trans-118.4118.7166.2-175.8177.7-3.200108.9D51 G86D51-Q108 HydrophobicContact CB-CG 4.41Å; D51-Q108 PolarHBondContact OD2-NE2 3Å; G86-Q108 PolarHBondContact N-O 3.09Å; G86-Q108 PolarHBondContact O-N 3.21Å
109S84.5Confident88.1Confident0 Ų040.4 Ų40.40%025%0.252CS..EExtended strand (participates in β ladder)trans-92.7134.9176.174.50000110.8D51 R52 S114D51-S109 WeakPolarHBondContact CA-O 3.35Å; D51-S109 VanDerWaalsContact CB-O 3.28Å; D51-S109 WeakPolarHBondContact CB-O 3.41Å; R52-S109 WeakPolarHBondContact CB-OG 3.24Å; R52-S109 PolarHBondContact N-O 2.93Å; R52-S109 PolarHBondContact N-OG 3.34Å; R52-S109 PolarHBondContact O-N 3.42Å; R52-S109 PolarHBondContact O-OG 3.23Å; S109-S114 PolarHBondContact OG-OG 3.06Å
110Q80.4Confident88.3Confident100 Ų10038.5 Ų38.547%0.46723%0.227SC..PPolyproline II helixtrans-69.8152.9165.4-64.1-176-9.700111.2G84 G112 N113G84-Q110 PolarHBondContact O-NE2 3.17Å; Q110-G112 PolarHBondContact O-N 2.98Å; Q110-N113 PolarHBondContact O-N 3.11Å
111A71.1Confident88.4Confident50 Ų5038 Ų3841%0.41322%0.223SC..THydrogen-bonded Turntrans-48.3126.1175.700000112.1Q50Q50-A111 HydrophobicContact CB-CB 3.84Å
112G74.7Confident88.3Confident71 Ų7138.9 Ų38.973%0.73223%0.23SC*.THydrogen-bonded Turntrans98.3-16.4178.600000115.9Q110Q110-G112 PolarHBondContact O-N 2.98Å
113N81.6Confident88.1Confident45 Ų4541 Ų4124%0.24124%0.241CC..  trans-94.2-2.6179.4-73.1-28.8000114.2P82 Q110 S115 L116 I117P82-N113 HydrophobicContact CB-CB 4.32Å; P82-N113 HydrophobicContact CG-CB 4.15Å; Q110-N113 PolarHBondContact O-N 3.11Å; N113-S115 PolarHBondContact O-N 3.07Å; N113-L116 PolarHBondContact O-N 2.99Å; N113-I117 HydrophobicContact CB-CD1 4.28Å; N113-I117 WeakPolarHBondContact O-CG1 3.12Å; N113-I117 PolarHBondContact O-N 3.25Å; N113-I117 VanDerWaalsContact O-N 3.13Å
114S81Confident88Confident15 Ų1538.1 Ų38.111%0.10523%0.229CC..Hα-helixtrans-62.8-39.4-170-55.70000113.9S109 I117 E118S109-S114 PolarHBondContact OG-OG 3.06Å; S114-I117 PolarHBondContact O-N 3Å; S114-E118 WeakPolarHBondContact O-CB 3.4Å; S114-E118 VanDerWaalsContact O-CG 3.29Å; S114-E118 WeakPolarHBondContact O-CG 3.27Å; S114-E118 PolarHBondContact O-N 3.43Å
115S85.6Confident87.7Confident78 Ų7841 Ų4155%0.54524%0.242SC..Hα-helixtrans-65.3-45-179.757.70000112.1N113 I117 E118 D119N113-S115 PolarHBondContact O-N 3.07Å; S115-I117 VanDerWaalsContact C-N 3.32Å; S115-I117 PolarHBondContact O-N 2.68Å; S115-E118 PolarHBondContact O-N 3.33Å; S115-D119 VanDerWaalsContact O-CG 3.31Å; S115-D119 PolarHBondContact O-N 2.75Å
116L88.1Confident87.3Confident86 Ų8647.2 Ų47.245%0.4527%0.272SS..Hα-helixtrans-62.9-40177.7176.859.7000111.6P82 N113 D119 I120P82-L116 HydrophobicContact CG-CD2 3.71Å; P82-L116 HydrophobicContact CG-CG 4.3Å; N113-L116 PolarHBondContact O-N 2.99Å; L116-D119 PolarHBondContact O-N 3.07Å; L116-I120 HydrophobicContact CD1-CD1 4.41Å; L116-I120 HydrophobicContact CG-CD1 4.32Å; L116-I120 WeakPolarHBondContact O-CD1 3.2Å; L116-I120 VanDerWaalsContact O-CG1 3.31Å; L116-I120 WeakPolarHBondContact O-CG1 3.33Å; L116-I120 PolarHBondContact O-N 3.12Å; L116-I120 VanDerWaalsContact O-N 3.16Å
117I89.7Confident86.9Confident1 Ų155.9 Ų55.91%0.00531%0.305CS..Hα-helixtrans-65-47.8174.6-70.5167.9000109.7Y54 L81 P82 N113 S114 S115 D119 I120 L121Y54-I117 HydrophobicContact CD2-CG2 3.84Å; Y54-I117 HydrophobicContact CE2-CG2 3.83Å; Y54-I117 HydrophobicContact CG-CG2 4.48Å; L81-I117 HydrophobicContact CD2-CD1 4.47Å; L81-I117 HydrophobicContact CD2-CG1 3.97Å; L81-I117 HydrophobicContact CD2-CG2 4.47Å; P82-I117 HydrophobicContact CG-CG1 4.27Å; N113-I117 HydrophobicContact CB-CD1 4.28Å; N113-I117 WeakPolarHBondContact O-CG1 3.12Å; N113-I117 PolarHBondContact O-N 3.25Å; N113-I117 VanDerWaalsContact O-N 3.13Å; S114-I117 PolarHBondContact O-N 3Å; S115-I117 VanDerWaalsContact C-N 3.32Å; S115-I117 PolarHBondContact O-N 2.68Å; I117-D119 VanDerWaalsContact C-N 3.28Å; I117-D119 PolarHBondContact O-N 3.07Å; I117-I120 PolarHBondContact O-N 3.16Å; I117-I120 VanDerWaalsContact O-N 3.12Å; I117-L121 HydrophobicContact CG2-CD1 3.88Å; I117-L121 HydrophobicContact CG2-CG 3.94Å; I117-L121 VanDerWaalsContact O-CG 3.23Å; I117-L121 WeakPolarHBondContact O-CG 3.2Å; I117-L121 PolarHBondContact O-N 3.22Å
118E90.8Very high86.7Confident55 Ų5557.3 Ų57.326%0.25731%0.312SS..Hα-helixtrans-58-38.4178.4-74.6175.6-17600112.5R52 Y54 S114 S115 L121 T122 W149R52-E118 IonicContact CZ-OE1 3.83Å; R52-E118 IonicContact NH1-OE1 3.48Å; R52-E118 PolarHBondContact NH1-OE1 3.47Å; R52-E118 IonicContact NH1-OE2 2.71Å; Y54-E118 HydrophobicContact CE1-CG 3.79Å; Y54-E118 PolarHBondContact OH-OE1 2.89Å; S114-E118 WeakPolarHBondContact O-CB 3.4Å; S114-E118 VanDerWaalsContact O-CG 3.29Å; S114-E118 WeakPolarHBondContact O-CG 3.27Å; S114-E118 PolarHBondContact O-N 3.43Å; S115-E118 PolarHBondContact O-N 3.33Å; E118-L121 PolarHBondContact O-N 2.79Å; E118-T122 VanDerWaalsContact O-CB 3.26Å; E118-T122 WeakPolarHBondContact O-CB 3.45Å; E118-T122 PolarHBondContact O-N 3.3Å; E118-T122 PolarHBondContact O-OG1 3.25Å; E118-W149 HydrophobicContact CB-CH2 4.22Å; E118-W149 HydrophobicContact CG-CH2 4Å; E118-W149 HydrophobicContact CG-CZ2 4.26Å
119D90.9Very high86.5Confident110 Ų11056.9 Ų56.959%0.58831%0.312SS*.Hα-helixtrans-62-47.3174-68.9-25.9000111.8S115 L116 I117 L121 T122 D123S115-D119 VanDerWaalsContact O-CG 3.31Å; S115-D119 PolarHBondContact O-N 2.75Å; L116-D119 PolarHBondContact O-N 3.07Å; I117-D119 VanDerWaalsContact C-N 3.28Å; I117-D119 PolarHBondContact O-N 3.07Å; D119-L121 PolarHBondContact O-N 2.99Å; D119-T122 PolarHBondContact O-N 3.17Å; D119-D123 PolarHBondContact O-N 2.87Å
120I91.9Very high86.8Confident23 Ų2357.1 Ų57.112%0.11831%0.314CS..Hα-helixtrans-60.9-46.2176.5-66.5163.7000110.5Q80 L116 I117 T122 D123 L124Q80-I120 HydrophobicContact CB-CD1 4.31Å; Q80-I120 WeakPolarHBondContact O-CD1 3.36Å; L116-I120 HydrophobicContact CD1-CD1 4.41Å; L116-I120 HydrophobicContact CG-CD1 4.32Å; L116-I120 WeakPolarHBondContact O-CD1 3.2Å; L116-I120 VanDerWaalsContact O-CG1 3.31Å; L116-I120 WeakPolarHBondContact O-CG1 3.33Å; L116-I120 PolarHBondContact O-N 3.12Å; L116-I120 VanDerWaalsContact O-N 3.16Å; I117-I120 PolarHBondContact O-N 3.16Å; I117-I120 VanDerWaalsContact O-N 3.12Å; I120-T122 VanDerWaalsContact C-N 3.33Å; I120-T122 PolarHBondContact O-N 2.98Å; I120-D123 PolarHBondContact O-N 3.41Å; I120-L124 HydrophobicContact CG2-CD1 4.06Å; I120-L124 WeakPolarHBondContact O-CG 3.44Å; I120-L124 PolarHBondContact O-N 3.27Å
121L92.6Very high87.4Confident0 Ų052.6 Ų52.60%029%0.293CS..Hα-helixtrans-66.9-36.2-178.4-62.7-167.3000111.9Y54 L56 L107 I117 E118 D119 L124 E125 V132 W149Y54-L121 HydrophobicContact CD1-CD1 3.72Å; Y54-L121 HydrophobicContact CD2-CD1 4.26Å; Y54-L121 HydrophobicContact CG-CD1 3.57Å; L56-L121 HydrophobicContact CD1-CD2 3.55Å; L56-L121 HydrophobicContact CD2-CD2 3.8Å; L56-L121 HydrophobicContact CG-CD2 4Å; L107-L121 HydrophobicContact CD1-CD1 4.29Å; L107-L121 HydrophobicContact CD1-CD2 3.84Å; I117-L121 HydrophobicContact CG2-CD1 3.88Å; I117-L121 HydrophobicContact CG2-CG 3.94Å; I117-L121 VanDerWaalsContact O-CG 3.23Å; I117-L121 WeakPolarHBondContact O-CG 3.2Å; I117-L121 PolarHBondContact O-N 3.22Å; E118-L121 PolarHBondContact O-N 2.79Å; D119-L121 PolarHBondContact O-N 2.99Å; L121-L124 HydrophobicContact CD2-CD1 4.38Å; L121-L124 PolarHBondContact O-N 3.32Å; L121-E125 WeakPolarHBondContact O-CB 3.3Å; L121-E125 PolarHBondContact O-N 3.33Å; L121-V132 HydrophobicContact CB-CG1 4.15Å; L121-V132 HydrophobicContact CD1-CG1 3.93Å; L121-W149 HydrophobicContact CB-CH2 3.78Å; L121-W149 HydrophobicContact CB-CZ3 3.61Å; L121-W149 HydrophobicContact CD1-CH2 4.18Å
122T91.4Very high88.5Confident49 Ų4950.3 Ų50.330%0.30127%0.273SS..Hα-helixtrans-66.1-44.5176.3-59.80000110.7E118 D119 I120 L124 E125 Q126E118-T122 VanDerWaalsContact O-CB 3.26Å; E118-T122 WeakPolarHBondContact O-CB 3.45Å; E118-T122 PolarHBondContact O-N 3.3Å; E118-T122 PolarHBondContact O-OG1 3.25Å; D119-T122 PolarHBondContact O-N 3.17Å; I120-T122 VanDerWaalsContact C-N 3.33Å; I120-T122 PolarHBondContact O-N 2.98Å; T122-L124 VanDerWaalsContact C-N 3.32Å; T122-L124 PolarHBondContact O-N 2.84Å; T122-E125 PolarHBondContact O-N 3.47Å; T122-Q126 WeakPolarHBondContact O-CB 3.08Å; T122-Q126 VanDerWaalsContact O-CG 3.28Å; T122-Q126 WeakPolarHBondContact O-CG 3.48Å; T122-Q126 PolarHBondContact O-N 3.28Å
123D91.3Very high89.5Confident63 Ų6346.9 Ų46.934%0.33724%0.238SC..Hα-helixtrans-61.9-41175-173.576.7000111.8D119 I120 R127D119-D123 PolarHBondContact O-N 2.87Å; I120-D123 PolarHBondContact O-N 3.41Å; D123-R127 WeakPolarHBondContact O-CB 3.32Å; D123-R127 WeakPolarHBondContact O-CG 3.19Å; D123-R127 PolarHBondContact O-N 2.79Å; D123-R127 IonicContact OD1-CZ 2.82Å; D123-R127 IonicContact OD1-NE 3.35Å; D123-R127 PolarHBondContact OD1-NE 2.97Å; D123-R127 IonicContact OD1-NH2 2.77Å; D123-R127 PolarHBondContact OD1-NH2 3.3Å; D123-R127 IonicContact OD2-NE 2.73Å; D123-R127 PolarHBondContact OD2-NE 3.47Å
124L91.3Very high90.1Very high6 Ų645.9 Ų45.93%0.03124%0.235CC..Hα-helixtrans-63.2-45.4176.3-74172.4000112.1L56 L73 L77 I120 L121 T122 R127 N128 V130L56-L124 HydrophobicContact CD2-CB 4.44Å; L56-L124 HydrophobicContact CD2-CD1 3.8Å; L73-L124 HydrophobicContact CD1-CD1 4.12Å; L73-L124 HydrophobicContact CD1-CD2 4.36Å; L77-L124 HydrophobicContact CD2-CD1 4.02Å; I120-L124 HydrophobicContact CG2-CD1 4.06Å; I120-L124 WeakPolarHBondContact O-CG 3.44Å; I120-L124 PolarHBondContact O-N 3.27Å; L121-L124 HydrophobicContact CD2-CD1 4.38Å; L121-L124 PolarHBondContact O-N 3.32Å; T122-L124 VanDerWaalsContact C-N 3.32Å; T122-L124 PolarHBondContact O-N 2.84Å; L124-R127 PolarHBondContact O-N 3.38Å; L124-N128 VanDerWaalsContact O-CB 3.24Å; L124-N128 WeakPolarHBondContact O-CB 3.4Å; L124-N128 PolarHBondContact O-N 3.43Å; L124-N128 PolarHBondContact O-ND2 3.35Å; L124-V130 HydrophobicContact CB-CG2 4.44Å
125E89.9Confident90.6Very high60 Ų6045.3 Ų45.328%0.2823%0.23SC..Hα-helixtrans-63.4-40.5179.4-169.3-97.9168.700112.5L121 T122 R127 V130 V132L121-E125 WeakPolarHBondContact O-CB 3.3Å; L121-E125 PolarHBondContact O-N 3.33Å; T122-E125 PolarHBondContact O-N 3.47Å; E125-R127 PolarHBondContact O-N 3.13Å; E125-V130 HydrophobicContact CB-CG2 4.43Å; E125-V132 HydrophobicContact CB-CG2 3.83Å; E125-V132 HydrophobicContact CG-CG2 4.1Å
126Q87.9Confident90.8Very high141 Ų14144.7 Ų44.766%0.65923%0.226SC*.Hα-helixtrans-70.1-31.1179.7-72.1176.5600113.7T122T122-Q126 WeakPolarHBondContact O-CB 3.08Å; T122-Q126 VanDerWaalsContact O-CG 3.28Å; T122-Q126 WeakPolarHBondContact O-CG 3.48Å; T122-Q126 PolarHBondContact O-N 3.28Å
127R87.9Confident90.8Very high187 Ų18743.7 Ų43.771%0.70622%0.219SC*.Hα-helixtrans-105-16.4-171.6-61.7-176.8-164.8-139.19.9114.6D123 L124 E125D123-R127 WeakPolarHBondContact O-CB 3.32Å; D123-R127 WeakPolarHBondContact O-CG 3.19Å; D123-R127 PolarHBondContact O-N 2.79Å; D123-R127 IonicContact OD1-CZ 2.82Å; D123-R127 IonicContact OD1-NE 3.35Å; D123-R127 PolarHBondContact OD1-NE 2.97Å; D123-R127 IonicContact OD1-NH2 2.77Å; D123-R127 PolarHBondContact OD1-NH2 3.3Å; D123-R127 IonicContact OD2-NE 2.73Å; D123-R127 PolarHBondContact OD2-NE 3.47Å; L124-R127 PolarHBondContact O-N 3.38Å; E125-R127 PolarHBondContact O-N 3.13Å
128N88.3Confident90.5Very high31 Ų3145.2 Ų45.217%0.16623%0.229CC..SBendtrans-132.5158.2-168-52.3-85.9000111.6F69 L124 V130F69-N128 HydrophobicContact CE1-CB 4.27Å; F69-N128 HydrophobicContact CE2-CB 3.73Å; F69-N128 VanDerWaalsContact CE2-OD1 3.27Å; F69-N128 WeakPolarHBondContact CE2-OD1 3.46Å; F69-N128 HydrophobicContact CZ-CB 3.46Å; F69-N128 VanDerWaalsContact CZ-CB 3.46Å; L124-N128 VanDerWaalsContact O-CB 3.24Å; L124-N128 WeakPolarHBondContact O-CB 3.4Å; L124-N128 PolarHBondContact O-N 3.43Å; L124-N128 PolarHBondContact O-ND2 3.35Å; N128-V130 HydrophobicContact CB-CG1 4.46Å; N128-V130 PolarHBondContact O-N 3.05Å
129P86Confident89.8Confident23 Ų2351.7 Ų51.715%0.14926%0.26CS..SBendtrans-78.362.1-179.834.3-37000111.3M1 C59M1-P129 HydrophobicContact CE-CB 4.05Å; M1-P129 HydrophobicContact SD-CB 4.14Å; C59-P129 PolarHBondContact N-O 3.3Å
130V91.1Very high88.9Confident6 Ų651.5 Ų51.54%0.03626%0.259CS..EExtended strand (participates in β ladder)trans-117.8145.5178.8-63.30000111.3L57 V58 F69 L124 E125 N128 V132L57-V130 CarbonylContact O-C 3.51Å; L57-V130 WeakPolarHBondContact O-CA 3.38Å; V58-V130 HydrophobicContact CG2-CG1 4.45Å; F69-V130 HydrophobicContact CD1-CG1 4.34Å; F69-V130 HydrophobicContact CE1-CG1 3.31Å; F69-V130 HydrophobicContact CZ-CG1 3.86Å; L124-V130 HydrophobicContact CB-CG2 4.44Å; E125-V130 HydrophobicContact CB-CG2 4.43Å; N128-V130 HydrophobicContact CB-CG1 4.46Å; N128-V130 PolarHBondContact O-N 3.05Å; V130-V132 HydrophobicContact CG2-CG2 4.26Å
131L92.4Very high88Confident5 Ų551.4 Ų51.43%0.02626%0.264CS..EExtended strand (participates in β ladder)trans-101.4122.9164.8-73.7177.7000108.6L5 L8 W12 L56 L57 C59 L148 Y150L5-L131 HydrophobicContact CD2-CD1 4.29Å; L5-L131 HydrophobicContact CD2-CD2 3.9Å; L5-L131 HydrophobicContact CD2-CG 3.97Å; L8-L131 HydrophobicContact CD1-CD1 4.5Å; W12-L131 HydrophobicContact CH2-CD1 3.92Å; W12-L131 HydrophobicContact CZ3-CD1 3.61Å; L56-L131 WeakPolarHBondContact CA-O 3.23Å; L57-L131 PolarHBondContact N-O 2.98Å; L57-L131 PolarHBondContact O-N 3.38Å; C59-L131 HydrophobicContact CB-CG 4.45Å; C59-L131 WeakPolarHBondContact SG-CD1 3.5Å; C59-L131 VanDerWaalsContact SG-CG 3.56Å; L131-L148 HydrophobicContact CB-CD1 4.3Å; L131-L148 HydrophobicContact CD2-CD1 4.31Å; L131-Y150 HydrophobicContact CD2-CD2 4.3Å
132V94.1Very high87.1Confident1 Ų156.4 Ų56.41%0.00629%0.287CS..EExtended strand (participates in β ladder)trans-100.8135.1175.7-175.50000109.7S55 L56 L121 E125 V130 W149S55-V132 CarbonylContact O-C 3.46Å; S55-V132 WeakPolarHBondContact O-CA 3.4Å; L56-V132 HydrophobicContact CD2-CG2 4.31Å; L56-V132 HydrophobicContact CG-CG2 4.25Å; L121-V132 HydrophobicContact CB-CG1 4.15Å; L121-V132 HydrophobicContact CD1-CG1 3.93Å; E125-V132 HydrophobicContact CB-CG2 3.83Å; E125-V132 HydrophobicContact CG-CG2 4.1Å; V130-V132 HydrophobicContact CG2-CG2 4.26Å; V132-W149 HydrophobicContact CB-CB 4.33Å; V132-W149 HydrophobicContact CB-CD2 3.87Å; V132-W149 HydrophobicContact CB-CE3 3.72Å; V132-W149 HydrophobicContact CB-CG 4.16Å; V132-W149 HydrophobicContact CB-CZ3 4.34Å; V132-W149 HydrophobicContact CG1-CD2 3.55Å; V132-W149 HydrophobicContact CG1-CE3 3.48Å; V132-W149 VanDerWaalsContact CG1-CE3 3.48Å; V132-W149 HydrophobicContact CG1-CG 4.2Å; V132-W149 HydrophobicContact CG1-CH2 3.98Å; V132-W149 HydrophobicContact CG1-CZ2 4.04Å; V132-W149 HydrophobicContact CG1-CZ3 3.71Å; V132-W149 HydrophobicContact CG2-CE3 4.41Å; V132-W149 PolarHBondContact O-N 3.39Å
133C94.9Very high86.9Confident0 Ų056.4 Ų56.40%028%0.284CS..EExtended strand (participates in β ladder)trans-123.6140.5168.1-520000109.9Y54 S55 Y135 Q146 C147 L148Y54-C133 CarbonylContact C-O 3.52Å; Y54-C133 WeakPolarHBondContact CA-O 3.25Å; S55-C133 PolarHBondContact N-O 2.96Å; S55-C133 PolarHBondContact O-N 3.49Å; S55-C133 WeakPolarHBondContact OG-CB 3.36Å; C133-Y135 HydrophobicContact CB-CE2 4.12Å; C133-Q146 HydrophobicContact CB-CG 3.67Å; C133-C147 CarbonylContact C-O 3.6Å; C133-C147 WeakPolarHBondContact CA-O 3.28Å; C133-L148 VanDerWaalsContact SG-CD1 3.52Å
134S94.2Very high86.9Confident23 Ų2353.8 Ų53.816%0.16127%0.269CS..EExtended strand (participates in β ladder)trans-101.9150.916354.10000110.2Q146 C147 W149S134-Q146 CarbonylContact O-C 3.57Å; S134-Q146 WeakPolarHBondContact O-CA 3.41Å; S134-C147 PolarHBondContact N-O 3Å; S134-C147 PolarHBondContact O-N 3.24Å; S134-W149 PolarHBondContact OG-NE1 2.71Å; S134-W149 VanDerWaalsContact OG-NE1 3.07Å
135Y93.2Very high86.9Confident4 Ų455 Ų552%0.01628%0.277CS..EExtended strand (participates in β ladder)trans-122.7130.8177.2-54.4-102.4000109.1F28 F44 C53 S55 F106 C133 T145 Q146 V161F28-Y135 AromaticContact CE2-CE1 3.84Å; F28-Y135 HydrophobicContact CE2-CE1 3.84Å; F28-Y135 AromaticContact CZ-CE1 3.8Å; F28-Y135 HydrophobicContact CZ-CE1 3.8Å; F44-Y135 HydrophobicContact CE1-CD1 4.02Å; F44-Y135 HydrophobicContact CE1-CG 4.05Å; F44-Y135 AromaticContact CZ-CD1 3.61Å; F44-Y135 HydrophobicContact CZ-CD1 3.61Å; F44-Y135 HydrophobicContact CZ-CE1 4.04Å; F44-Y135 HydrophobicContact CZ-CG 4.11Å; C53-Y135 HydrophobicContact CB-CD2 4.1Å; C53-Y135 HydrophobicContact CB-CG 4.38Å; C53-Y135 WeakPolarHBondContact O-CD2 3.47Å; C53-Y135 PolarHBondContact O-N 3.14Å; S55-Y135 WeakPolarHBondContact CB-OH 3.46Å; S55-Y135 WeakPolarHBondContact OG-CE2 3.32Å; S55-Y135 PolarHBondContact OG-OH 3Å; F106-Y135 HydrophobicContact CD2-CE2 4.29Å; F106-Y135 HydrophobicContact CE2-CD2 4.08Å; F106-Y135 AromaticContact CE2-CE2 3.85Å; F106-Y135 HydrophobicContact CE2-CE2 3.85Å; C133-Y135 HydrophobicContact CB-CE2 4.12Å; Y135-T145 VanDerWaalsContact CA-O 3.29Å; Y135-T145 WeakPolarHBondContact CA-O 3.43Å; Y135-Q146 HydrophobicContact CD1-CB 3.92Å; Y135-Q146 HydrophobicContact CD1-CG 3.99Å; Y135-Q146 HydrophobicContact CE1-CB 3.86Å; Y135-Q146 HydrophobicContact CE1-CG 3.57Å; Y135-Q146 VanDerWaalsContact CE1-NE2 3.34Å; Y135-Q146 VanDerWaalsContact CZ-NE2 3.35Å; Y135-Q146 PolarHBondContact OH-NE2 3.09Å; Y135-V161 HydrophobicContact CD1-CG2 4.08Å; Y135-V161 HydrophobicContact CE1-CG2 4.49Å
136S88.7Confident87.1Confident65 Ų6552.1 Ų52.146%0.45526%0.263SS..EExtended strand (participates in β ladder)trans-133.4146.9178.258.50000111.2W144 T145S136-W144 WeakPolarHBondContact O-CA 3.03Å; S136-T145 PolarHBondContact N-O 3.46Å; S136-T145 PolarHBondContact O-N 3.31Å
137Q87.6Confident87.3Confident65 Ų6546.3 Ų46.330%0.30424%0.238SC..EExtended strand (participates in β ladder)trans-90.2141.8173.5-161176.733.300109.6G141 Q143 W144Q137-G141 PolarHBondContact NE2-O 3.39Å; Q137-Q143 CarbonylContact C-O 3.53Å; Q137-Q143 WeakPolarHBondContact CA-O 3.48Å; Q137-W144 HydrophobicContact CB-CD2 4.19Å; Q137-W144 HydrophobicContact CB-CE3 4.32Å; Q137-W144 HydrophobicContact CB-CH2 4.11Å; Q137-W144 HydrophobicContact CB-CZ2 3.97Å; Q137-W144 HydrophobicContact CB-CZ3 4.28Å; Q137-W144 HydrophobicContact CG-CD2 4.41Å; Q137-W144 HydrophobicContact CG-CZ2 4.19Å
138S83.1Confident87.5Confident32 Ų3237.4 Ų37.422%0.22420%0.204CC..  trans-64.4161.2171.950.40000111.9D140 G141 Q143S138-D140 VanDerWaalsContact CB-OD1 3.3Å; S138-D140 WeakPolarHBondContact CB-OD1 3.29Å; S138-D140 PolarHBondContact O-N 2.78Å; S138-D140 PolarHBondContact OG-OD1 2.87Å; S138-G141 WeakPolarHBondContact O-CA 3.5Å; S138-G141 PolarHBondContact O-N 2.53Å; S138-Q143 PolarHBondContact N-O 2.83Å; S138-Q143 WeakPolarHBondContact OG-CA 3.36Å; S138-Q143 WeakPolarHBondContact OG-CB 3.45Å; S138-Q143 PolarHBondContact OG-N 2.91Å; S138-Q143 PolarHBondContact OG-O 3.12Å
139E76.6Confident87.5Confident192 Ų19238.6 Ų38.690%0.89721%0.206SC*.THydrogen-bonded Turntrans-59.8-34.2-178.2-66.4-175.1170.800113.2G141E139-G141 PolarHBondContact O-N 3.03Å
140D73.4Confident86.8Confident106 Ų10638.8 Ų38.857%0.56720%0.204SC*.THydrogen-bonded Turntrans-72.7-7.2175.264.59.4000113.6S138 Q142S138-D140 VanDerWaalsContact CB-OD1 3.3Å; S138-D140 WeakPolarHBondContact CB-OD1 3.29Å; S138-D140 PolarHBondContact O-N 2.78Å; S138-D140 PolarHBondContact OG-OD1 2.87Å; D140-Q142 HydrophobicContact CB-CG 4.48Å; D140-Q142 PolarHBondContact O-N 3.03Å; D140-Q142 PolarHBondContact OD1-N 3.03Å
141G72.2Confident85.3Confident21 Ų2145.1 Ų45.122%0.21623%0.233CC..SBendtrans73.81179.400000114.5Q137 S138 E139Q137-G141 PolarHBondContact NE2-O 3.39Å; S138-G141 WeakPolarHBondContact O-CA 3.5Å; S138-G141 PolarHBondContact O-N 2.53Å; E139-G141 PolarHBondContact O-N 3.03Å
142Q74.6Confident83.4Confident105 Ų10550.7 Ų50.749%0.49127%0.273SS..SBendtrans-92.7-34.2-169.8-63.4-62.3-45.900112.7P38 D140P38-Q142 HydrophobicContact CB-CB 4.2Å; P38-Q142 WeakPolarHBondContact CB-O 3.38Å; P38-Q142 HydrophobicContact CG-CB 3.59Å; D140-Q142 HydrophobicContact CB-CG 4.48Å; D140-Q142 PolarHBondContact O-N 3.03Å; D140-Q142 PolarHBondContact OD1-N 3.03Å
143Q85.8Confident81.2Confident49 Ų4959 Ų5923%0.22931%0.312CS..  trans-115.5132.1-169.8-174176.7-14.800112.3P38 Q137 S138 C160P38-Q143 HydrophobicContact CB-CB 4.01Å; P38-Q143 HydrophobicContact CB-CG 4.49Å; Q137-Q143 CarbonylContact C-O 3.53Å; Q137-Q143 WeakPolarHBondContact CA-O 3.48Å; S138-Q143 PolarHBondContact N-O 2.83Å; S138-Q143 WeakPolarHBondContact OG-CA 3.36Å; S138-Q143 WeakPolarHBondContact OG-CB 3.45Å; S138-Q143 PolarHBondContact OG-N 2.91Å; S138-Q143 PolarHBondContact OG-O 3.12Å; Q143-C160 PolarHBondContact NE2-SG 3.15Å
144W91Very high79.2Confident8 Ų868.1 Ų68.13%0.0335%0.354CS..EExtended strand (participates in β ladder)trans-97139170.6-76.586.8000110.7F44 V47 S136 Q137 V161F44-W144 HydrophobicContact CB-CD2 4.2Å; F44-W144 HydrophobicContact CB-CZ2 3.95Å; F44-W144 AromaticContact CD1-CD2 3.94Å; F44-W144 HydrophobicContact CD1-CD2 3.94Å; F44-W144 AromaticContact CD1-CE3 3.85Å; F44-W144 HydrophobicContact CD1-CE3 3.85Å; F44-W144 HydrophobicContact CD1-CH2 4.13Å; F44-W144 HydrophobicContact CD1-CZ2 4.21Å; F44-W144 AromaticContact CD1-CZ3 3.95Å; F44-W144 HydrophobicContact CD1-CZ3 3.95Å; F44-W144 HydrophobicContact CD2-CG 4.46Å; F44-W144 HydrophobicContact CE1-CE3 4.13Å; F44-W144 HydrophobicContact CE1-CZ3 4.35Å; F44-W144 AromaticContact CG-CD2 3.98Å; F44-W144 HydrophobicContact CG-CD2 3.98Å; F44-W144 AromaticContact CG-CE2 3.98Å; F44-W144 HydrophobicContact CG-CE3 4.36Å; F44-W144 HydrophobicContact CG-CG 4.29Å; F44-W144 HydrophobicContact CG-CZ2 4.37Å; V47-W144 HydrophobicContact CB-CH2 4.15Å; V47-W144 HydrophobicContact CB-CZ2 4.24Å; V47-W144 HydrophobicContact CG1-CH2 3.73Å; V47-W144 HydrophobicContact CG1-CZ2 4.28Å; S136-W144 WeakPolarHBondContact O-CA 3.03Å; Q137-W144 HydrophobicContact CB-CD2 4.19Å; Q137-W144 HydrophobicContact CB-CE3 4.32Å; Q137-W144 HydrophobicContact CB-CH2 4.11Å; Q137-W144 HydrophobicContact CB-CZ2 3.97Å; Q137-W144 HydrophobicContact CB-CZ3 4.28Å; Q137-W144 HydrophobicContact CG-CD2 4.41Å; Q137-W144 HydrophobicContact CG-CZ2 4.19Å; W144-V161 HydrophobicContact CB-CB 3.74Å; W144-V161 HydrophobicContact CB-CG1 4.32Å; W144-V161 HydrophobicContact CB-CG2 4.01Å; W144-V161 WeakPolarHBondContact O-CB 3.26Å; W144-V161 PolarHBondContact O-N 3.44Å
145T91.6Very high77.5Confident31 Ų3173.5 Ų73.519%0.1938%0.381CS..EExtended strand (participates in β ladder)trans-120.2134.1175.5-56.50000109.4Y135 S136 R158 F159Y135-T145 VanDerWaalsContact CA-O 3.29Å; Y135-T145 WeakPolarHBondContact CA-O 3.43Å; S136-T145 PolarHBondContact N-O 3.46Å; S136-T145 PolarHBondContact O-N 3.31Å; T145-R158 HydrophobicContact CG2-CB 3.91Å; T145-R158 HydrophobicContact CG2-CG 4.23Å; T145-F159 CarbonylContact C-O 3.5Å; T145-F159 VanDerWaalsContact CA-O 3.29Å; T145-F159 WeakPolarHBondContact CA-O 3.42Å; T145-F159 WeakPolarHBondContact CG2-O 3.35Å
146Q94.1Very high76.4Confident0 Ų076.3 Ų76.30%040%0.4CS..EExtended strand (participates in β ladder)trans-97.4127.6168.4-174.6-170.765.900108.6V30 C133 S134 Y135 R158 F159 V161V30-Q146 HydrophobicContact CG1-CB 4.28Å; C133-Q146 HydrophobicContact CB-CG 3.67Å; S134-Q146 CarbonylContact O-C 3.57Å; S134-Q146 WeakPolarHBondContact O-CA 3.41Å; Y135-Q146 HydrophobicContact CD1-CB 3.92Å; Y135-Q146 HydrophobicContact CD1-CG 3.99Å; Y135-Q146 HydrophobicContact CE1-CB 3.86Å; Y135-Q146 HydrophobicContact CE1-CG 3.57Å; Y135-Q146 VanDerWaalsContact CE1-NE2 3.34Å; Y135-Q146 VanDerWaalsContact CZ-NE2 3.35Å; Y135-Q146 PolarHBondContact OH-NE2 3.09Å; Q146-R158 CarbonylContact O-C 3.58Å; Q146-R158 WeakPolarHBondContact O-CA 3.47Å; Q146-F159 PolarHBondContact N-O 2.66Å; Q146-F159 PolarHBondContact O-N 2.88Å; Q146-V161 HydrophobicContact CB-CG2 3.92Å
147C93.1Very high76.2Confident18 Ų1875.6 Ų75.612%0.12239%0.393CS..EExtended strand (participates in β ladder)trans-111.2113.9176.5-1770000108.6C133 S134 P156 R158C133-C147 CarbonylContact C-O 3.6Å; C133-C147 WeakPolarHBondContact CA-O 3.28Å; S134-C147 PolarHBondContact N-O 3Å; S134-C147 PolarHBondContact O-N 3.24Å; C147-P156 VanDerWaalsContact SG-CB 3.53Å; C147-R158 HydrophobicContact CB-CG 4.38Å
148L91.3Very high76.3Confident1 Ų180.4 Ų80.41%0.00541%0.408CS..EExtended strand (participates in β ladder)trans-84.2129.1177-179.370.3000109.5V9 W12 L131 C133 Y150 V157V9-L148 HydrophobicContact CB-CD2 4.33Å; V9-L148 HydrophobicContact CG1-CD2 3.84Å; V9-L148 HydrophobicContact CG2-CD2 3.6Å; W12-L148 HydrophobicContact CH2-CD1 4.32Å; W12-L148 HydrophobicContact CZ2-CD1 4.06Å; L131-L148 HydrophobicContact CB-CD1 4.3Å; L131-L148 HydrophobicContact CD2-CD1 4.31Å; C133-L148 VanDerWaalsContact SG-CD1 3.52Å; L148-Y150 HydrophobicContact CD2-CG 4.44Å; L148-Y150 PolarHBondContact O-N 3.12Å; L148-V157 HydrophobicContact CB-CB 4.46Å; L148-V157 PolarHBondContact N-O 3.45Å
149W88.1Confident76.7Confident56 Ų5679.3 Ų79.321%0.21240%0.399CS..  trans-80.222.2-175.9-62.99.5000113.4Y54 E118 L121 V132 S134Y54-W149 AromaticContact CD1-CZ2 3.99Å; Y54-W149 HydrophobicContact CD1-CZ2 3.99Å; Y54-W149 HydrophobicContact CE1-CZ2 4.03Å; E118-W149 HydrophobicContact CB-CH2 4.22Å; E118-W149 HydrophobicContact CG-CH2 4Å; E118-W149 HydrophobicContact CG-CZ2 4.26Å; L121-W149 HydrophobicContact CB-CH2 3.78Å; L121-W149 HydrophobicContact CB-CZ3 3.61Å; L121-W149 HydrophobicContact CD1-CH2 4.18Å; V132-W149 HydrophobicContact CB-CB 4.33Å; V132-W149 HydrophobicContact CB-CD2 3.87Å; V132-W149 HydrophobicContact CB-CE3 3.72Å; V132-W149 HydrophobicContact CB-CG 4.16Å; V132-W149 HydrophobicContact CB-CZ3 4.34Å; V132-W149 HydrophobicContact CG1-CD2 3.55Å; V132-W149 HydrophobicContact CG1-CE3 3.48Å; V132-W149 VanDerWaalsContact CG1-CE3 3.48Å; V132-W149 HydrophobicContact CG1-CG 4.2Å; V132-W149 HydrophobicContact CG1-CH2 3.98Å; V132-W149 HydrophobicContact CG1-CZ2 4.04Å; V132-W149 HydrophobicContact CG1-CZ3 3.71Å; V132-W149 HydrophobicContact CG2-CE3 4.41Å; V132-W149 PolarHBondContact O-N 3.39Å; S134-W149 PolarHBondContact OG-NE1 2.71Å; S134-W149 VanDerWaalsContact OG-NE1 3.07Å
150Y71.6Confident77.5Confident27 Ų2770.8 Ų70.811%0.10636%0.361CS..  trans-85.5131.9-174.6-179.5-102.8000112L5 V9 L131 L148L5-Y150 HydrophobicContact CB-CE2 3.82Å; V9-Y150 HydrophobicContact CB-CD1 4.38Å; V9-Y150 HydrophobicContact CB-CE1 4.4Å; V9-Y150 HydrophobicContact CG1-CD1 4.13Å; V9-Y150 HydrophobicContact CG1-CE1 4.44Å; V9-Y150 HydrophobicContact CG2-CD1 3.88Å; V9-Y150 HydrophobicContact CG2-CD2 4.19Å; V9-Y150 HydrophobicContact CG2-CE1 4.12Å; V9-Y150 HydrophobicContact CG2-CE2 4.44Å; V9-Y150 HydrophobicContact CG2-CG 3.9Å; L131-Y150 HydrophobicContact CD2-CD2 4.3Å; L148-Y150 HydrophobicContact CD2-CG 4.44Å; L148-Y150 PolarHBondContact O-N 3.12Å
151Q60.8Low78.5Confident138 Ų13866 Ų6665%0.64534%0.335SS*.  trans60.492.6-179-71-177.7-41.600113.4E153Q151-E153 PolarHBondContact O-N 3.48Å
152S52.4Low79.5Confident122 Ų12265.8 Ų65.885%0.85333%0.33SS*.  trans-70.470.5167.9167.90000111.3
153E47.8Very low80.3Confident176 Ų17664 Ų6482%0.82233%0.327SS*.SBendtrans-143.8103.6155.6-69-164.4171.800109.6Q151 N155Q151-E153 PolarHBondContact O-N 3.48Å; E153-N155 PolarHBondContact O-N 2.78Å
154E52Low80.5Confident192 Ų19263.5 Ų63.590%0.89733%0.329SS*.SBendtrans70-24.9161.8-57.2-172163.200120.7
155N59.7Low80.5Confident135 Ų13571.5 Ų71.572%0.72237%0.367SS*.  trans-144.7110.6176.2-80.1-53.9000114E153 V157E153-N155 PolarHBondContact O-N 2.78Å; N155-V157 PolarHBondContact O-N 2.78Å
156P68.5Low80.3Confident63 Ų6375.4 Ų75.441%0.40939%0.391SS..  trans-66.1135.317625.7-31.8000111.3C147 R158C147-P156 VanDerWaalsContact SG-CB 3.53Å; P156-R158 PolarHBondContact O-N 3.23Å
157V84.6Confident80.1Confident50 Ų5076.7 Ų76.730%0.30340%0.399SS..EExtended strand (participates in β ladder)trans-72.1114.3177.6-170.60000109.1L148 N155 F159L148-V157 HydrophobicContact CB-CB 4.46Å; L148-V157 PolarHBondContact N-O 3.45Å; N155-V157 PolarHBondContact O-N 2.78Å; V157-F159 HydrophobicContact CB-CE2 4.35Å; V157-F159 HydrophobicContact CG1-CD2 4.33Å; V157-F159 HydrophobicContact CG1-CE1 4.45Å; V157-F159 HydrophobicContact CG1-CE2 3.4Å; V157-F159 VanDerWaalsContact CG1-CE2 3.4Å; V157-F159 HydrophobicContact CG1-CZ 3.48Å; V157-F159 VanDerWaalsContact CG1-CZ 3.48Å
158R90.1Very high79.9Confident167 Ų16783.9 Ų83.963%0.6343%0.428SS*.EExtended strand (participates in β ladder)trans-112.5141.6-177.1-69.2178.3-176.9177.12.6111.4T145 Q146 C147 P156T145-R158 HydrophobicContact CG2-CB 3.91Å; T145-R158 HydrophobicContact CG2-CG 4.23Å; Q146-R158 CarbonylContact O-C 3.58Å; Q146-R158 WeakPolarHBondContact O-CA 3.47Å; C147-R158 HydrophobicContact CB-CG 4.38Å; P156-R158 PolarHBondContact O-N 3.23Å
159F92.4Very high79.7Confident8 Ų887.4 Ų87.44%0.03545%0.445CS..EExtended strand (participates in β ladder)trans-131.9143.3175.7-57.3-89.3000110.7W12 V30 R31 E32 T145 Q146 V157 V161W12-F159 HydrophobicContact CB-CE1 4.4Å; W12-F159 HydrophobicContact CB-CE2 4.26Å; W12-F159 HydrophobicContact CB-CZ 3.83Å; W12-F159 AromaticContact CD1-CD2 3.58Å; W12-F159 AromaticContact CD1-CE2 3.27Å; W12-F159 AromaticContact CD1-CZ 3.66Å; W12-F159 AromaticContact CG-CE2 3.98Å; W12-F159 HydrophobicContact CG-CE2 3.98Å; W12-F159 HydrophobicContact CG-CZ 4.05Å; V30-F159 HydrophobicContact CB-CB 3.71Å; V30-F159 HydrophobicContact CB-CG 4.26Å; V30-F159 HydrophobicContact CG1-CB 4.49Å; V30-F159 HydrophobicContact CG2-CB 4.18Å; V30-F159 HydrophobicContact CG2-CD1 4.38Å; V30-F159 HydrophobicContact CG2-CG 4.18Å; R31-F159 CarbonylContact O-C 3.46Å; R31-F159 VanDerWaalsContact O-CA 3.32Å; R31-F159 WeakPolarHBondContact O-CA 3.45Å; E32-F159 HydrophobicContact CG-CD1 4.1Å; E32-F159 HydrophobicContact CG-CE1 3.91Å; T145-F159 CarbonylContact C-O 3.5Å; T145-F159 VanDerWaalsContact CA-O 3.29Å; T145-F159 WeakPolarHBondContact CA-O 3.42Å; T145-F159 WeakPolarHBondContact CG2-O 3.35Å; Q146-F159 PolarHBondContact N-O 2.66Å; Q146-F159 PolarHBondContact O-N 2.88Å; V157-F159 HydrophobicContact CB-CE2 4.35Å; V157-F159 HydrophobicContact CG1-CD2 4.33Å; V157-F159 HydrophobicContact CG1-CE1 4.45Å; V157-F159 HydrophobicContact CG1-CE2 3.4Å; V157-F159 VanDerWaalsContact CG1-CE2 3.4Å; V157-F159 HydrophobicContact CG1-CZ 3.48Å; V157-F159 VanDerWaalsContact CG1-CZ 3.48Å; F159-V161 PolarHBondContact O-N 2.77Å
160C93Very high79.8Confident14 Ų1485.3 Ų85.310%0.09544%0.438CS..EExtended strand (participates in β ladder)trans-70.9124.9167.7-53.20000108.8V30 R31 L34 Q143V30-C160 CarbonylContact C-O 3.59Å; V30-C160 VanDerWaalsContact CA-O 3.29Å; V30-C160 WeakPolarHBondContact CA-O 3.08Å; R31-C160 PolarHBondContact N-O 3.34Å; R31-C160 PolarHBondContact O-N 3.33Å; L34-C160 HydrophobicContact CB-CB 4.27Å; L34-C160 HydrophobicContact CD1-CB 4.25Å; L34-C160 PolarHBondContact N-SG 2.75Å; Q143-C160 PolarHBondContact NE2-SG 3.15Å
161V93.9Very high80.6Confident5 Ų584.4 Ų84.43%0.0344%0.435CS..EExtended strand (participates in β ladder)trans-76.7130.8172.1179.70000108.1F28 P41 F44 Y135 W144 Q146 F159F28-V161 HydrophobicContact CB-CG1 4.42Å; F28-V161 HydrophobicContact CD2-CG1 3.76Å; F28-V161 HydrophobicContact CE2-CG1 4.34Å; F28-V161 HydrophobicContact CG-CG1 4.32Å; P41-V161 HydrophobicContact CG-CG1 3.57Å; F44-V161 HydrophobicContact CD2-CG1 4.36Å; F44-V161 HydrophobicContact CE2-CG1 3.66Å; F44-V161 HydrophobicContact CZ-CG1 4.4Å; Y135-V161 HydrophobicContact CD1-CG2 4.08Å; Y135-V161 HydrophobicContact CE1-CG2 4.49Å; W144-V161 HydrophobicContact CB-CB 3.74Å; W144-V161 HydrophobicContact CB-CG1 4.32Å; W144-V161 HydrophobicContact CB-CG2 4.01Å; W144-V161 WeakPolarHBondContact O-CB 3.26Å; W144-V161 PolarHBondContact O-N 3.44Å; Q146-V161 HydrophobicContact CB-CG2 3.92Å; F159-V161 PolarHBondContact O-N 2.77Å
162V92.9Very high81.9Confident16 Ų1678.7 Ų78.710%0.09741%0.41CS..EExtended strand (participates in β ladder)trans-130.5152.2-178.2-630000110.8G29 R31 L34G29-V162 PolarHBondContact N-O 3.48Å; G29-V162 PolarHBondContact O-N 3.44Å; R31-V162 HydrophobicContact CG-CG1 4.39Å; R31-V162 HydrophobicContact CG-CG2 4Å; L34-V162 HydrophobicContact CD1-CG1 3.79Å
163P91.6Very high83.7Confident68 Ų6874 Ų7444%0.44238%0.376SS..EExtended strand (participates in β ladder)trans-57.5146.9169.6-21.734000110.5V39V39-P163 HydrophobicContact CB-CG 3.9Å; V39-P163 HydrophobicContact CG1-CG 3.92Å; V39-P163 VanDerWaalsContact O-CD 3.29Å; V39-P163 WeakPolarHBondContact O-CD 3.41Å; V39-P163 WeakPolarHBondContact O-CG 3.41Å
164S91.2Very high85.7Confident39 Ų3968.3 Ų68.327%0.27335%0.351SS..  trans-122.1142.8170.9-176.30000109
165E89.1Confident87.5Confident176 Ų17660.5 Ų60.582%0.82232%0.315SS*.PPolyproline II helixtrans-60.6150.5166.2-63.3-178.7178.100110.2P167E165-P167 WeakPolarHBondContact O-CD 2.9Å
166T88.1Confident89Confident113 Ų11354 Ų5469%0.69328%0.281SS*.PPolyproline II helixtrans-60.5122.7171.3-58.90000109.2Y27Y27-T166 HydrophobicContact CD2-CG2 4.36Å; Y27-T166 HydrophobicContact CE2-CG2 3.97Å
167P89.8Confident90.1Very high27 Ų2752.3 Ų52.318%0.17527%0.268CS..PPolyproline II helixtrans-59.4152.7177.6-19.228.5000112.1Y27 F93 E165 H169Y27-P167 HydrophobicContact CD1-CG 3.87Å; Y27-P167 HydrophobicContact CE1-CG 3.74Å; Y27-P167 HydrophobicContact CE2-CG 4.48Å; Y27-P167 HydrophobicContact CG-CG 4.29Å; F93-P167 HydrophobicContact CE2-CB 4.2Å; F93-P167 HydrophobicContact CE2-CG 3.83Å; F93-P167 HydrophobicContact CZ-CB 4.34Å; F93-P167 HydrophobicContact CZ-CG 3.52Å; E165-P167 WeakPolarHBondContact O-CD 2.9Å; P167-H169 PolarHBondContact O-N 3.43Å
168K88.3Confident90.3Very high168 Ų16851.4 Ų51.473%0.7326%0.262SS*.SBendtrans-58.6-31.4177-66.3176.1-177165.40113.4
169H87.1Confident90.2Very high75 Ų7545.3 Ų45.335%0.34724%0.244SC..SBendtrans-135.5149.2-177.6-56.7-52.4000110.2P167 V173P167-H169 PolarHBondContact O-N 3.43Å; H169-V173 HydrophobicContact CB-CB 4.31Å; H169-V173 HydrophobicContact CB-CG1 4.48Å; H169-V173 HydrophobicContact CB-CG2 4.39Å
170H90.4Very high90.2Very high13 Ų1345.6 Ų45.66%0.0625%0.246CC..  trans-57.6141.2173.8-177.8-83.9000110.9S172 V173 V314 T315 N320H170-S172 PolarHBondContact CE1-OG 3.34Å; H170-S172 VanDerWaalsContact CE1-OG 3.23Å; H170-S172 PolarHBondContact ND1-N 3.2Å; H170-S172 PolarHBondContact ND1-OG 2.62Å; H170-S172 PolarHBondContact O-N 3.06Å; H170-V173 HydrophobicContact CB-CG2 3.97Å; H170-V173 WeakPolarHBondContact O-CB 3.44Å; H170-V173 VanDerWaalsContact O-CG2 3.3Å; H170-V173 WeakPolarHBondContact O-CG2 3.3Å; H170-V173 PolarHBondContact O-N 3.31Å; H170-V314 HydrophobicContact CB-CG1 4.22Å; H170-T315 PolarHBondContact NE2-N 2.95Å; H170-T315 PolarHBondContact NE2-OG1 2.87Å; H170-N320 HydrophobicContact CB-CB 4.12Å; H170-N320 WeakPolarHBondContact CB-O 3.48Å
171P88.6Confident90.4Very high8 Ų845.1 Ų45.15%0.05224%0.243CC..THydrogen-bonded Turntrans-53.9-33.5-172.4-30.737.4000115.3Y27 F93 L101 V173 N175Y27-P171 HydrophobicContact CE1-CG 4.05Å; F93-P171 HydrophobicContact CD1-CB 3.5Å; F93-P171 VanDerWaalsContact CD1-CB 3.5Å; F93-P171 HydrophobicContact CD1-CG 3.65Å; F93-P171 HydrophobicContact CD2-CB 4.47Å; F93-P171 HydrophobicContact CE1-CB 3.75Å; F93-P171 HydrophobicContact CE1-CG 3.31Å; F93-P171 HydrophobicContact CE2-CG 4.39Å; F93-P171 HydrophobicContact CG-CB 3.93Å; F93-P171 HydrophobicContact CG-CG 4.36Å; F93-P171 HydrophobicContact CZ-CB 4.32Å; F93-P171 HydrophobicContact CZ-CG 3.73Å; L101-P171 HydrophobicContact CD1-CB 3.79Å; P171-V173 VanDerWaalsContact C-N 3.34Å; P171-V173 PolarHBondContact O-N 3.1Å; P171-N175 PolarHBondContact O-ND2 3.22Å
172S89.3Confident90.5Very high17 Ų1745.1 Ų45.112%0.11924%0.243CC..THydrogen-bonded Turntrans-70.6-24.5179.3-490000114.4H170 L174 N175 M176 A313H170-S172 PolarHBondContact CE1-OG 3.34Å; H170-S172 VanDerWaalsContact CE1-OG 3.23Å; H170-S172 PolarHBondContact ND1-N 3.2Å; H170-S172 PolarHBondContact ND1-OG 2.62Å; H170-S172 PolarHBondContact O-N 3.06Å; S172-L174 VanDerWaalsContact C-N 3.28Å; S172-L174 PolarHBondContact O-N 3.37Å; S172-L174 VanDerWaalsContact O-N 3.16Å; S172-N175 PolarHBondContact O-N 3.4Å; S172-M176 PolarHBondContact O-N 3.31Å; S172-A313 WeakPolarHBondContact CB-O 3.03Å; S172-A313 PolarHBondContact OG-O 3.25Å
173V90Very high90.5Very high23 Ų2346 Ų4614%0.13925%0.245CC..G310 helixtrans-55.4-42.5-168.8171.30000112.3H169 H170 P171 N175 M176 P322H169-V173 HydrophobicContact CB-CB 4.31Å; H169-V173 HydrophobicContact CB-CG1 4.48Å; H169-V173 HydrophobicContact CB-CG2 4.39Å; H170-V173 HydrophobicContact CB-CG2 3.97Å; H170-V173 WeakPolarHBondContact O-CB 3.44Å; H170-V173 VanDerWaalsContact O-CG2 3.3Å; H170-V173 WeakPolarHBondContact O-CG2 3.3Å; H170-V173 PolarHBondContact O-N 3.31Å; P171-V173 VanDerWaalsContact C-N 3.34Å; P171-V173 PolarHBondContact O-N 3.1Å; V173-N175 PolarHBondContact O-N 2.82Å; V173-M176 HydrophobicContact CG2-CE 4.18Å; V173-P322 HydrophobicContact CG1-CB 4.11Å; V173-P322 HydrophobicContact CG1-CG 4.08Å; V173-P322 HydrophobicContact CG2-CG 4.05Å
174L88.9Confident90.6Very high57 Ų5744.1 Ų44.130%0.29823%0.233SC..G310 helixtrans-76.4-4.5-177.4-59-179.7000113.7K98 S172K98-L174 WeakPolarHBondContact CG-O 3.41Å; S172-L174 VanDerWaalsContact C-N 3.28Å; S172-L174 PolarHBondContact O-N 3.37Å; S172-L174 VanDerWaalsContact O-N 3.16Å
175N89.6Confident90.7Very high28 Ų2843.4 Ų43.415%0.1523%0.226CC..G310 helixtrans-117.6-0.9-174.4-57.3-82.6000113G99 L101 P171 S172 V173 I177 S179G99-N175 WeakPolarHBondContact CA-OD1 3.3Å; G99-N175 PolarHBondContact N-OD1 3.07Å; L101-N175 WeakPolarHBondContact CB-ND2 3.17Å; L101-N175 HydrophobicContact CD2-CB 4.3Å; P171-N175 PolarHBondContact O-ND2 3.22Å; S172-N175 PolarHBondContact O-N 3.4Å; V173-N175 PolarHBondContact O-N 2.82Å; N175-I177 PolarHBondContact O-N 3.3Å; N175-S179 WeakPolarHBondContact O-CB 3.43Å; N175-S179 PolarHBondContact O-OG 3.05Å; N175-S179 VanDerWaalsContact O-OG 3.1Å
176M92.6Very high91Very high0 Ų041.7 Ų41.70%022%0.218CC..  trans-66.4-36.6-176.3-70.1170-179.400114.1S172 V173 N178 S179 D180 V181 I310 A313 V314 P322 V328S172-M176 PolarHBondContact O-N 3.31Å; V173-M176 HydrophobicContact CG2-CE 4.18Å; M176-N178 PolarHBondContact O-N 3.14Å; M176-S179 PolarHBondContact O-N 3.35Å; M176-S179 VanDerWaalsContact O-N 3.13Å; M176-D180 WeakPolarHBondContact CA-OD2 3.3Å; M176-D180 HydrophobicContact CB-CB 4.32Å; M176-D180 HydrophobicContact CG-CB 4.45Å; M176-D180 PolarHBondContact O-N 3.4Å; M176-V181 PolarHBondContact O-N 3Å; M176-I310 HydrophobicContact CE-CG2 4.45Å; M176-I310 HydrophobicContact SD-CG2 4.33Å; M176-A313 HydrophobicContact CE-CB 3.88Å; M176-A313 HydrophobicContact CG-CB 4.26Å; M176-V314 HydrophobicContact CE-CG2 3.24Å; M176-P322 HydrophobicContact CE-CG 4.03Å; M176-P322 HydrophobicContact SD-CG 3.72Å; M176-V328 HydrophobicContact CB-CG2 3.94Å; M176-V328 HydrophobicContact SD-CG2 4.05Å
177I91.2Very high91.3Very high26 Ų2639.1 Ų39.113%0.13320%0.198CC..BIsolated β-bridgetrans-64.6122.6-175.5-54.3-60.9000109.8N175 S179 Y183 E327 V328N175-I177 PolarHBondContact O-N 3.3Å; I177-S179 PolarHBondContact O-N 3.46Å; I177-Y183 HydrophobicContact CB-CE2 4.37Å; I177-Y183 HydrophobicContact CD1-CD2 4.2Å; I177-Y183 HydrophobicContact CD1-CE2 3.37Å; I177-Y183 HydrophobicContact CG1-CE2 4.43Å; I177-Y183 HydrophobicContact CG2-CD2 3.81Å; I177-Y183 HydrophobicContact CG2-CE2 3.99Å; I177-E327 HydrophobicContact CD1-CB 4.48Å; I177-E327 HydrophobicContact CD1-CG 4.15Å; I177-V328 HydrophobicContact CD1-CB 3.88Å; I177-V328 HydrophobicContact CD1-CG2 4.11Å
178N88.3Confident91.6Very high32 Ų3237.9 Ų37.917%0.17119%0.19CC..THydrogen-bonded Turntrans54.826.5-176-57.3-30.4000114R63 M176 V181 Y183 E187R63-N178 PolarHBondContact NH1-O 3.19Å; M176-N178 PolarHBondContact O-N 3.14Å; N178-V181 WeakPolarHBondContact CA-O 3.4Å; N178-V181 PolarHBondContact N-O 3.2Å; N178-Y183 PolarHBondContact OD1-N 3.38Å; N178-Y183 VanDerWaalsContact OD1-N 3.1Å; N178-E187 HydrophobicContact CB-CB 4.36Å; N178-E187 HydrophobicContact CB-CG 4.32Å
179S88.4Confident92Very high38 Ų3830.3 Ų30.327%0.26616%0.158SC..THydrogen-bonded Turntrans-130-40.2168.4-49.70000111.9N175 M176 I177 L270N175-S179 WeakPolarHBondContact O-CB 3.43Å; N175-S179 PolarHBondContact O-OG 3.05Å; N175-S179 VanDerWaalsContact O-OG 3.1Å; M176-S179 PolarHBondContact O-N 3.35Å; M176-S179 VanDerWaalsContact O-N 3.13Å; I177-S179 PolarHBondContact O-N 3.46Å; S179-L270 VanDerWaalsContact O-CD1 3.29Å; S179-L270 WeakPolarHBondContact O-CD1 3.43Å
180D92.6Very high92.4Very high15 Ų1529 Ų298%0.0815%0.153CC..THydrogen-bonded Turntrans-109.6-42.1173.7-61.3-71.6000110.8M176 R273 A309 A313M176-D180 WeakPolarHBondContact CA-OD2 3.3Å; M176-D180 HydrophobicContact CB-CB 4.32Å; M176-D180 HydrophobicContact CG-CB 4.45Å; M176-D180 PolarHBondContact O-N 3.4Å; D180-R273 WeakPolarHBondContact O-CB 3.41Å; D180-R273 WeakPolarHBondContact O-CG 3.39Å; D180-A309 HydrophobicContact CB-CB 4.31Å; D180-A309 VanDerWaalsContact O-CB 3.23Å; D180-A309 WeakPolarHBondContact O-CB 3.46Å; D180-A313 HydrophobicContact CB-CB 4.32Å
181V95.8Very high92.7Very high4 Ų428.3 Ų28.32%0.02415%0.15CC..BIsolated β-bridgetrans-119.9124.4177.4-170.60000109.4M176 N178 Y183 W302 A306 A309 I310 V328M176-V181 PolarHBondContact O-N 3Å; N178-V181 WeakPolarHBondContact CA-O 3.4Å; N178-V181 PolarHBondContact N-O 3.2Å; V181-Y183 HydrophobicContact CB-CE2 3.84Å; V181-Y183 HydrophobicContact CG1-CE1 4.39Å; V181-Y183 HydrophobicContact CG1-CE2 3.78Å; V181-Y183 VanDerWaalsContact CG1-OH 3.26Å; V181-Y183 WeakPolarHBondContact CG1-OH 3.48Å; V181-Y183 WeakPolarHBondContact O-CD2 3.14Å; V181-Y183 WeakPolarHBondContact O-CE2 3.23Å; V181-W302 HydrophobicContact CG1-CH2 4.37Å; V181-W302 HydrophobicContact CG1-CZ2 3.51Å; V181-A306 HydrophobicContact CG1-CB 3.93Å; V181-A306 HydrophobicContact CG2-CB 4.47Å; V181-A309 HydrophobicContact CG2-CB 3.89Å; V181-I310 HydrophobicContact CG2-CD1 4.32Å; V181-I310 HydrophobicContact CG2-CG1 3.74Å; V181-V328 HydrophobicContact CB-CG2 4.41Å; V181-V328 HydrophobicContact CG2-CG2 4.01Å
182F95.9Very high93.1Very high5 Ų528 Ų282%0.02215%0.148CC..  trans-96135.1-179.7-69.6-94.9000111E187 A188 V191 L270 R273 A274 A277 W302F182-E187 HydrophobicContact CD1-CB 4.09Å; F182-E187 HydrophobicContact CE1-CB 4.49Å; F182-A188 HydrophobicContact CB-CB 4.28Å; F182-A188 HydrophobicContact CD1-CB 3.82Å; F182-A188 HydrophobicContact CE1-CB 4.38Å; F182-A188 HydrophobicContact CG-CB 4.07Å; F182-V191 HydrophobicContact CE1-CG2 3.9Å; F182-V191 HydrophobicContact CZ-CG2 3.99Å; F182-L270 HydrophobicContact CZ-CD1 3.88Å; F182-R273 HydrophobicContact CD2-CB 4.31Å; F182-R273 HydrophobicContact CE2-CB 3.97Å; F182-A274 HydrophobicContact CE1-CB 4.35Å; F182-A274 HydrophobicContact CE2-CB 3.91Å; F182-A274 HydrophobicContact CZ-CB 3.73Å; F182-A277 HydrophobicContact CB-CB 3.69Å; F182-A277 HydrophobicContact CD2-CB 4.05Å; F182-A277 HydrophobicContact CG-CB 4.03Å; F182-W302 PolarHBondContact O-NE1 2.84Å
183Y94.1Very high93.4Very high35 Ų3532.8 Ų32.814%0.13717%0.167CC..  trans-115.82.2-179.5-61.1-93.8000113.3I177 N178 V181 W302 V328 R330 P332 D334I177-Y183 HydrophobicContact CB-CE2 4.37Å; I177-Y183 HydrophobicContact CD1-CD2 4.2Å; I177-Y183 HydrophobicContact CD1-CE2 3.37Å; I177-Y183 HydrophobicContact CG1-CE2 4.43Å; I177-Y183 HydrophobicContact CG2-CD2 3.81Å; I177-Y183 HydrophobicContact CG2-CE2 3.99Å; N178-Y183 PolarHBondContact OD1-N 3.38Å; N178-Y183 VanDerWaalsContact OD1-N 3.1Å; V181-Y183 HydrophobicContact CB-CE2 3.84Å; V181-Y183 HydrophobicContact CG1-CE1 4.39Å; V181-Y183 HydrophobicContact CG1-CE2 3.78Å; V181-Y183 VanDerWaalsContact CG1-OH 3.26Å; V181-Y183 WeakPolarHBondContact CG1-OH 3.48Å; V181-Y183 WeakPolarHBondContact O-CD2 3.14Å; V181-Y183 WeakPolarHBondContact O-CE2 3.23Å; Y183-W302 HydrophobicContact CD1-CZ2 4.43Å; Y183-W302 HydrophobicContact CE1-CH2 4.3Å; Y183-W302 AromaticContact CE1-CZ2 3.82Å; Y183-W302 HydrophobicContact CE1-CZ2 3.82Å; Y183-V328 WeakPolarHBondContact OH-CA 3.24Å; Y183-V328 WeakPolarHBondContact OH-CG2 3.38Å; Y183-V328 PolarHBondContact OH-O 3.37Å; Y183-R330 VanDerWaalsContact CE1-O 3.27Å; Y183-R330 WeakPolarHBondContact CE1-O 3.44Å; Y183-P332 HydrophobicContact CD1-CG 4.29Å; Y183-D334 VanDerWaalsContact O-OD1 3.14Å
184S93.3Very high93.6Very high27 Ų2736 Ų3619%0.18918%0.18CC..  trans-143.2147.817170.70000111E186 E187 A188 Y281 D334S184-E186 VanDerWaalsContact C-N 3.28Å; S184-E187 VanDerWaalsContact OG-CB 3.3Å; S184-E187 WeakPolarHBondContact OG-CB 3.48Å; S184-E187 WeakPolarHBondContact OG-CG 3.42Å; S184-E187 PolarHBondContact OG-N 3.32Å; S184-A188 PolarHBondContact O-N 3.07Å; S184-Y281 VanDerWaalsContact C-OH 3.25Å; S184-Y281 VanDerWaalsContact CA-OH 3.29Å; S184-Y281 WeakPolarHBondContact CA-OH 3.33Å; S184-Y281 PolarHBondContact N-OH 2.82Å; S184-D334 WeakPolarHBondContact CA-OD2 3.29Å
185L93.8Very high93.8Very high25 Ų2533.4 Ų33.413%0.13117%0.167CC..Hα-helixtrans-63.9-39.5173.2174.861.4000111.2E187 A188 C189 L209 L213 V278 Y281 D334L185-E187 PolarHBondContact O-N 2.68Å; L185-A188 PolarHBondContact O-N 3.48Å; L185-C189 WeakPolarHBondContact CD1-SG 3.19Å; L185-C189 WeakPolarHBondContact O-CB 3.42Å; L185-C189 PolarHBondContact O-N 2.83Å; L185-C189 PolarHBondContact O-SG 3.5Å; L185-L209 HydrophobicContact CD1-CD1 4.32Å; L185-L209 HydrophobicContact CD1-CD2 3.86Å; L185-L209 HydrophobicContact CD2-CD2 4.11Å; L185-L213 HydrophobicContact CD2-CD1 3.01Å; L185-L213 HydrophobicContact CD2-CG 4.5Å; L185-L213 HydrophobicContact CG-CD1 4.42Å; L185-V278 HydrophobicContact CD1-CG2 4.14Å; L185-Y281 HydrophobicContact CB-CD1 3.85Å; L185-Y281 HydrophobicContact CB-CD2 3.93Å; L185-Y281 HydrophobicContact CB-CE1 3.8Å; L185-Y281 HydrophobicContact CB-CE2 3.93Å; L185-Y281 HydrophobicContact CB-CG 3.93Å; L185-Y281 HydrophobicContact CD1-CD2 3.68Å; L185-Y281 HydrophobicContact CD1-CE2 4.38Å; L185-Y281 HydrophobicContact CD1-CG 3.81Å; L185-Y281 HydrophobicContact CD2-CD1 4.5Å; L185-Y281 HydrophobicContact CD2-CG 4.4Å; L185-Y281 HydrophobicContact CG-CD2 4.36Å; L185-Y281 HydrophobicContact CG-CG 4.27Å; L185-Y281 VanDerWaalsContact N-CZ 3.31Å; L185-Y281 PolarHBondContact N-OH 3.09Å; L185-D334 PolarHBondContact N-OD2 3.09Å
186E94.3Very high93.9Very high139 Ų13932.4 Ų32.465%0.6516%0.163SC*.Hα-helixtrans-56.6-50.9-177.8-175.7173.9-167.800111S184 A188 C189 D190S184-E186 VanDerWaalsContact C-N 3.28Å; E186-A188 PolarHBondContact O-N 3.3Å; E186-C189 WeakPolarHBondContact O-CB 3.31Å; E186-C189 PolarHBondContact O-N 3.34Å; E186-D190 WeakPolarHBondContact O-CB 3.42Å; E186-D190 VanDerWaalsContact O-CG 3.22Å; E186-D190 PolarHBondContact O-N 2.92Å
187E94.8Very high93.7Very high60 Ų6039 Ų3928%0.2820%0.198SC..Hα-helixtrans-61.5-41.1178.4-75-77.7165.800112.9R63 N178 F182 S184 L185 D190 V191R63-E187 IonicContact CZ-OE2 3.87Å; R63-E187 IonicContact NH1-OE2 3.93Å; R63-E187 PolarHBondContact NH1-OE2 3.41Å; R63-E187 IonicContact NH2-OE2 2.68Å; R63-E187 PolarHBondContact NH2-OE2 3.49Å; N178-E187 HydrophobicContact CB-CB 4.36Å; N178-E187 HydrophobicContact CB-CG 4.32Å; F182-E187 HydrophobicContact CD1-CB 4.09Å; F182-E187 HydrophobicContact CE1-CB 4.49Å; S184-E187 VanDerWaalsContact OG-CB 3.3Å; S184-E187 WeakPolarHBondContact OG-CB 3.48Å; S184-E187 WeakPolarHBondContact OG-CG 3.42Å; S184-E187 PolarHBondContact OG-N 3.32Å; L185-E187 PolarHBondContact O-N 2.68Å; E187-D190 PolarHBondContact O-N 3.28Å; E187-V191 PolarHBondContact O-N 3.42Å
188A96.2Very high93.6Very high0 Ų041.9 Ų41.90%021%0.213CC..Hα-helixtrans-66.2-42.5177.100000111.2F182 S184 L185 E186 D190 V191 L192 A277 V278F182-A188 HydrophobicContact CB-CB 4.28Å; F182-A188 HydrophobicContact CD1-CB 3.82Å; F182-A188 HydrophobicContact CE1-CB 4.38Å; F182-A188 HydrophobicContact CG-CB 4.07Å; S184-A188 PolarHBondContact O-N 3.07Å; L185-A188 PolarHBondContact O-N 3.48Å; E186-A188 PolarHBondContact O-N 3.3Å; A188-D190 VanDerWaalsContact C-N 3.33Å; A188-D190 PolarHBondContact O-N 3.15Å; A188-V191 PolarHBondContact O-N 3.27Å; A188-L192 PolarHBondContact O-N 2.71Å; A188-A277 HydrophobicContact CB-CB 3.82Å; A188-V278 HydrophobicContact CB-CG2 3.99Å
189C96.1Very high93.9Very high10 Ų1040.4 Ų40.47%0.06821%0.205CC..Hα-helixtrans-61.8-42.2175-71.30000111.8L185 E186 V191 L192 K193 L206 L209L185-C189 WeakPolarHBondContact CD1-SG 3.19Å; L185-C189 WeakPolarHBondContact O-CB 3.42Å; L185-C189 PolarHBondContact O-N 2.83Å; L185-C189 PolarHBondContact O-SG 3.5Å; E186-C189 WeakPolarHBondContact O-CB 3.31Å; E186-C189 PolarHBondContact O-N 3.34Å; C189-V191 VanDerWaalsContact C-N 3.33Å; C189-V191 PolarHBondContact O-N 3.46Å; C189-L192 CarbonylContact O-C 3.57Å; C189-L192 PolarHBondContact O-N 3.06Å; C189-L192 VanDerWaalsContact O-N 3.11Å; C189-K193 VanDerWaalsContact O-CG 3.3Å; C189-K193 WeakPolarHBondContact O-CG 3.45Å; C189-K193 PolarHBondContact O-N 3.45Å; C189-L206 HydrophobicContact CB-CD2 3.97Å; C189-L209 WeakPolarHBondContact SG-CD1 3.32Å
190D96Very high94.1Very high46 Ų4642.4 Ų42.425%0.24622%0.217CC..Hα-helixtrans-65.3-37.4-176.4-75.1-7.2000112.1E186 E187 A188 K193 Q194E186-D190 WeakPolarHBondContact O-CB 3.42Å; E186-D190 VanDerWaalsContact O-CG 3.22Å; E186-D190 PolarHBondContact O-N 2.92Å; E187-D190 PolarHBondContact O-N 3.28Å; A188-D190 VanDerWaalsContact C-N 3.33Å; A188-D190 PolarHBondContact O-N 3.15Å; D190-K193 PolarHBondContact O-N 2.83Å; D190-K193 IonicContact OD1-NZ 2.97Å; D190-K193 PolarHBondContact OD1-NZ 3.4Å; D190-Q194 WeakPolarHBondContact O-CB 3.33Å; D190-Q194 VanDerWaalsContact O-CG 3.24Å; D190-Q194 WeakPolarHBondContact O-CG 3.41Å; D190-Q194 PolarHBondContact O-N 2.86Å
191V96.4Very high94.3Very high0 Ų044.4 Ų44.40%023%0.226CC..Hα-helixtrans-59.4-47.91701710000110.9V64 F182 E187 A188 C189 K193 Q194 C195 L270 I271 A274V64-V191 HydrophobicContact CG2-CG1 4.09Å; V64-V191 HydrophobicContact CG2-CG2 4.43Å; F182-V191 HydrophobicContact CE1-CG2 3.9Å; F182-V191 HydrophobicContact CZ-CG2 3.99Å; E187-V191 PolarHBondContact O-N 3.42Å; A188-V191 PolarHBondContact O-N 3.27Å; C189-V191 VanDerWaalsContact C-N 3.33Å; C189-V191 PolarHBondContact O-N 3.46Å; V191-K193 PolarHBondContact O-N 3.45Å; V191-Q194 PolarHBondContact O-N 2.77Å; V191-C195 PolarHBondContact O-N 3.46Å; V191-C195 PolarHBondContact O-SG 2.9Å; V191-C195 VanDerWaalsContact O-SG 3.32Å; V191-L270 HydrophobicContact CG1-CG 4.16Å; V191-L270 HydrophobicContact CG2-CD1 4.19Å; V191-L270 HydrophobicContact CG2-CG 4.48Å; V191-I271 HydrophobicContact CG1-CG1 4.44Å; V191-A274 HydrophobicContact CB-CB 3.83Å; V191-A274 HydrophobicContact CG1-CB 3.63Å
192L96.6Very high94.3Very high0 Ų044.2 Ų44.20%023%0.225CC..Hα-helixtrans-66.2-37.4179.5-61.6-171.1000112.6A188 C189 C195 G196 T202 V205 L206 F264 A274 V278A188-L192 PolarHBondContact O-N 2.71Å; C189-L192 CarbonylContact O-C 3.57Å; C189-L192 PolarHBondContact O-N 3.06Å; C189-L192 VanDerWaalsContact O-N 3.11Å; L192-C195 WeakPolarHBondContact O-CB 3.44Å; L192-C195 PolarHBondContact O-N 2.92Å; L192-G196 PolarHBondContact O-N 3Å; L192-T202 HydrophobicContact CB-CG2 4.24Å; L192-T202 HydrophobicContact CD2-CG2 4.28Å; L192-T202 WeakPolarHBondContact O-CB 3.42Å; L192-T202 WeakPolarHBondContact O-CG2 3.36Å; L192-T202 PolarHBondContact O-OG1 3.47Å; L192-V205 HydrophobicContact CD1-CG1 3.96Å; L192-L206 HydrophobicContact CB-CD1 4.18Å; L192-L206 HydrophobicContact CB-CD2 4.23Å; L192-L206 HydrophobicContact CB-CG 4.25Å; L192-L206 HydrophobicContact CD1-CD2 4.26Å; L192-F264 HydrophobicContact CD2-CE1 3.98Å; L192-A274 HydrophobicContact CD2-CB 3.99Å; L192-A274 HydrophobicContact CG-CB 4.29Å; L192-V278 HydrophobicContact CD1-CB 4.25Å; L192-V278 HydrophobicContact CD1-CG2 3.77Å
193K95.9Very high94.3Very high119 Ų11951.3 Ų51.352%0.51725%0.252SS..Hα-helixtrans-62.9-44175.8-71.3171.7-160.7155.60111.4C189 D190 V191 C195 G196 L206C189-K193 VanDerWaalsContact O-CG 3.3Å; C189-K193 WeakPolarHBondContact O-CG 3.45Å; C189-K193 PolarHBondContact O-N 3.45Å; D190-K193 PolarHBondContact O-N 2.83Å; D190-K193 IonicContact OD1-NZ 2.97Å; D190-K193 PolarHBondContact OD1-NZ 3.4Å; V191-K193 PolarHBondContact O-N 3.45Å; K193-C195 PolarHBondContact O-N 3.4Å; K193-G196 PolarHBondContact O-N 3.15Å; K193-L206 HydrophobicContact CG-CD1 3.68Å
194Q94.4Very high94.3Very high90 Ų9052.4 Ų52.442%0.42126%0.264SS..Hα-helixtrans-61.3-29.9176.3-72.8172.52400112.1D62 V64 D190 V191 G196D62-Q194 PolarHBondContact OD2-OE1 2.96Å; V64-Q194 HydrophobicContact CG2-CB 4.25Å; D190-Q194 WeakPolarHBondContact O-CB 3.33Å; D190-Q194 VanDerWaalsContact O-CG 3.24Å; D190-Q194 WeakPolarHBondContact O-CG 3.41Å; D190-Q194 PolarHBondContact O-N 2.86Å; V191-Q194 PolarHBondContact O-N 2.77Å; Q194-G196 VanDerWaalsContact C-N 3.3Å; Q194-G196 PolarHBondContact O-N 3.26Å
195C93.8Very high94.5Very high2 Ų251.1 Ų51.11%0.01426%0.255CS..THydrogen-bonded Turntrans-80.1-4.5174.4-66.70000114.3V64 V191 L192 K193 D197 I198 I199 T202 I271V64-C195 WeakPolarHBondContact CG1-SG 3.45Å; V191-C195 PolarHBondContact O-N 3.46Å; V191-C195 PolarHBondContact O-SG 2.9Å; V191-C195 VanDerWaalsContact O-SG 3.32Å; L192-C195 WeakPolarHBondContact O-CB 3.44Å; L192-C195 PolarHBondContact O-N 2.92Å; K193-C195 PolarHBondContact O-N 3.4Å; C195-D197 PolarHBondContact O-N 2.9Å; C195-D197 VanDerWaalsContact O-N 3.09Å; C195-I198 PolarHBondContact O-N 2.96Å; C195-I199 HydrophobicContact CB-CB 4.42Å; C195-I199 HydrophobicContact CB-CD1 4.13Å; C195-I199 HydrophobicContact CB-CG1 4.38Å; C195-I199 PolarHBondContact O-N 2.94Å; C195-T202 HydrophobicContact CB-CG2 3.91Å; C195-I271 VanDerWaalsContact SG-CD1 3.53Å
196G91.3Very high94.6Very high7 Ų751.6 Ų51.67%0.07226%0.258CS..THydrogen-bonded Turntrans-55.9-31.2-168.100000116.2L192 K193 Q194 T202L192-G196 PolarHBondContact O-N 3Å; K193-G196 PolarHBondContact O-N 3.15Å; Q194-G196 VanDerWaalsContact C-N 3.3Å; Q194-G196 PolarHBondContact O-N 3.26Å; G196-T202 WeakPolarHBondContact CA-OG1 3.47Å
197D89.4Confident94.6Very high138 Ų13848 Ų4874%0.73826%0.258SS*.THydrogen-bonded Turntrans-86.4-16.4-179.5-64-27.3000113C195 R203C195-D197 PolarHBondContact O-N 2.9Å; C195-D197 VanDerWaalsContact O-N 3.09Å; D197-R203 IonicContact OD1-NH2 3.81Å; D197-R203 PolarHBondContact OD1-NH2 2.9Å
198I89.4Confident94.5Very high88 Ų8849.1 Ų49.145%0.45126%0.264SS..THydrogen-bonded Turntrans-112.2-24.5-174.8-23.5171.3000112.7C195C195-I198 PolarHBondContact O-N 2.96Å
199I93.3Very high94.3Very high0 Ų051 Ų510%027%0.274CS..  trans-130.483.7175.9-49.9175.3000106.7C195 E201 T202 F264 E267 I271C195-I199 HydrophobicContact CB-CB 4.42Å; C195-I199 HydrophobicContact CB-CD1 4.13Å; C195-I199 HydrophobicContact CB-CG1 4.38Å; C195-I199 PolarHBondContact O-N 2.94Å; I199-E201 HydrophobicContact CG2-CB 4.46Å; I199-E201 WeakPolarHBondContact CG2-OE2 3.45Å; I199-E201 PolarHBondContact O-N 3.45Å; I199-E201 VanDerWaalsContact O-N 3.1Å; I199-T202 HydrophobicContact CB-CG2 3.86Å; I199-T202 HydrophobicContact CG2-CG2 3.95Å; I199-T202 WeakPolarHBondContact O-CB 3.19Å; I199-T202 VanDerWaalsContact O-CG2 3.23Å; I199-T202 WeakPolarHBondContact O-CG2 3.29Å; I199-T202 PolarHBondContact O-N 2.79Å; I199-T202 PolarHBondContact O-OG1 3.23Å; I199-F264 HydrophobicContact CG2-CE1 4.3Å; I199-F264 HydrophobicContact CG2-CZ 4.13Å; I199-E267 HydrophobicContact CD1-CG 3.9Å; I199-E267 WeakPolarHBondContact CD1-OE1 3.47Å; I199-I271 HydrophobicContact CD1-CD1 4.13Å; I199-I271 HydrophobicContact CD1-CG2 3.87Å
200P93.1Very high93.5Very high80 Ų8052.4 Ų52.452%0.51928%0.283SS..THydrogen-bonded Turntrans-56.9-28.5-174.9-26.535.6000114T202 R203P200-T202 PolarHBondContact O-N 3.35Å; P200-T202 VanDerWaalsContact O-N 3.15Å; P200-R203 WeakPolarHBondContact O-CB 3.18Å; P200-R203 PolarHBondContact O-N 2.89Å; P200-R203 VanDerWaalsContact O-N 3.09Å
201E96.2Very high92.5Very high57 Ų5756.9 Ų56.927%0.26632%0.318SS..Hα-helixtrans-59.3-23.5177.6-62.688161.200113I199 R203 S204 V205 W260 R263 F264I199-E201 HydrophobicContact CG2-CB 4.46Å; I199-E201 WeakPolarHBondContact CG2-OE2 3.45Å; I199-E201 PolarHBondContact O-N 3.45Å; I199-E201 VanDerWaalsContact O-N 3.1Å; E201-R203 PolarHBondContact O-N 3.41Å; E201-S204 WeakPolarHBondContact O-CB 3.39Å; E201-S204 PolarHBondContact O-N 3.24Å; E201-S204 VanDerWaalsContact O-N 3.07Å; E201-V205 WeakPolarHBondContact O-CG2 3.29Å; E201-V205 PolarHBondContact O-N 3.18Å; E201-W260 HydrophobicContact CB-CG 4.37Å; E201-R263 IonicContact OE1-NE 3.95Å; E201-F264 HydrophobicContact CB-CE2 4.19Å
202T96.3Very high91.2Very high1 Ų160.9 Ų60.91%0.00635%0.346CS..Hα-helixtrans-56.3-36.617455.90000112.2L192 C195 G196 I199 P200 S204 V205 L206 F264L192-T202 HydrophobicContact CB-CG2 4.24Å; L192-T202 HydrophobicContact CD2-CG2 4.28Å; L192-T202 WeakPolarHBondContact O-CB 3.42Å; L192-T202 WeakPolarHBondContact O-CG2 3.36Å; L192-T202 PolarHBondContact O-OG1 3.47Å; C195-T202 HydrophobicContact CB-CG2 3.91Å; G196-T202 WeakPolarHBondContact CA-OG1 3.47Å; I199-T202 HydrophobicContact CB-CG2 3.86Å; I199-T202 HydrophobicContact CG2-CG2 3.95Å; I199-T202 WeakPolarHBondContact O-CB 3.19Å; I199-T202 VanDerWaalsContact O-CG2 3.23Å; I199-T202 WeakPolarHBondContact O-CG2 3.29Å; I199-T202 PolarHBondContact O-N 2.79Å; I199-T202 PolarHBondContact O-OG1 3.23Å; P200-T202 PolarHBondContact O-N 3.35Å; P200-T202 VanDerWaalsContact O-N 3.15Å; T202-S204 VanDerWaalsContact C-N 3.33Å; T202-S204 PolarHBondContact O-N 3.02Å; T202-V205 PolarHBondContact O-N 3.22Å; T202-L206 WeakPolarHBondContact O-CB 3.36Å; T202-L206 VanDerWaalsContact O-CG 3.23Å; T202-L206 WeakPolarHBondContact O-CG 3.42Å; T202-L206 PolarHBondContact O-N 3.1Å; T202-F264 HydrophobicContact CG2-CE1 3.97Å; T202-F264 HydrophobicContact CG2-CZ 3.78Å
203R95.1Very high90Very high153 Ų15363.5 Ų63.558%0.57736%0.36SS*.Hα-helixtrans-65.3-39177.6-61178.8-175.5169.31.2111.1D197 P200 E201 G207D197-R203 IonicContact OD1-NH2 3.81Å; D197-R203 PolarHBondContact OD1-NH2 2.9Å; P200-R203 WeakPolarHBondContact O-CB 3.18Å; P200-R203 PolarHBondContact O-N 2.89Å; P200-R203 VanDerWaalsContact O-N 3.09Å; E201-R203 PolarHBondContact O-N 3.41Å; R203-G207 PolarHBondContact O-N 3.33Å
204S95.8Very high88.8Confident58 Ų5862.5 Ų62.541%0.40636%0.36SS..Hα-helixtrans-69.5-41.3176.2-54.70000112E201 T202 G207 M208E201-S204 WeakPolarHBondContact O-CB 3.39Å; E201-S204 PolarHBondContact O-N 3.24Å; E201-S204 VanDerWaalsContact O-N 3.07Å; T202-S204 VanDerWaalsContact C-N 3.33Å; T202-S204 PolarHBondContact O-N 3.02Å; S204-G207 PolarHBondContact O-N 2.96Å; S204-M208 WeakPolarHBondContact O-CG 3.15Å; S204-M208 PolarHBondContact O-N 3Å
205V96.3Very high87.4Confident0 Ų059.7 Ų59.70%035%0.352CS..Hα-helixtrans-61.7-47.4174.8172.90000110.9L192 E201 T202 G207 M208 L257 W260 F264 F275 V278L192-V205 HydrophobicContact CD1-CG1 3.96Å; E201-V205 WeakPolarHBondContact O-CG2 3.29Å; E201-V205 PolarHBondContact O-N 3.18Å; T202-V205 PolarHBondContact O-N 3.22Å; V205-G207 VanDerWaalsContact C-N 3.27Å; V205-G207 PolarHBondContact O-N 3.44Å; V205-M208 WeakPolarHBondContact O-CB 3.28Å; V205-M208 PolarHBondContact O-N 3.15Å; V205-M208 VanDerWaalsContact O-N 3.08Å; V205-L257 HydrophobicContact CG1-CD2 4.24Å; V205-L257 HydrophobicContact CG2-CD2 4.49Å; V205-W260 HydrophobicContact CG2-CB 4.29Å; V205-W260 HydrophobicContact CG2-CD2 3.95Å; V205-W260 HydrophobicContact CG2-CE3 3.7Å; V205-W260 HydrophobicContact CG2-CG 4.21Å; V205-W260 HydrophobicContact CG2-CZ3 4.36Å; V205-F264 HydrophobicContact CG2-CE2 3.75Å; V205-F264 HydrophobicContact CG2-CZ 4.16Å; V205-F275 HydrophobicContact CG1-CD2 4.09Å; V205-F275 HydrophobicContact CG1-CE2 4.35Å; V205-F275 HydrophobicContact CG2-CD2 4.04Å; V205-F275 HydrophobicContact CG2-CE2 3.89Å; V205-V278 HydrophobicContact CG1-CG1 3.88Å
206L95.8Very high86.1Confident36 Ų3670.8 Ų70.819%0.18839%0.394CS..Hα-helixtrans-64.2-33.4177.2-69.9171000112.1C189 L192 K193 T202 M208 L209C189-L206 HydrophobicContact CB-CD2 3.97Å; L192-L206 HydrophobicContact CB-CD1 4.18Å; L192-L206 HydrophobicContact CB-CD2 4.23Å; L192-L206 HydrophobicContact CB-CG 4.25Å; L192-L206 HydrophobicContact CD1-CD2 4.26Å; K193-L206 HydrophobicContact CG-CD1 3.68Å; T202-L206 WeakPolarHBondContact O-CB 3.36Å; T202-L206 VanDerWaalsContact O-CG 3.23Å; T202-L206 WeakPolarHBondContact O-CG 3.42Å; T202-L206 PolarHBondContact O-N 3.1Å; L206-M208 PolarHBondContact O-N 2.94Å; L206-L209 HydrophobicContact CD2-CD1 3.87Å; L206-L209 WeakPolarHBondContact O-CB 3.48Å; L206-L209 PolarHBondContact O-N 3.31Å; L206-L209 VanDerWaalsContact O-N 3.14Å
207G94.3Very high85.3Confident62 Ų6276.3 Ų76.364%0.63941%0.412SS*.THydrogen-bonded Turntrans-67-14.3173.900000114.7R203 S204 V205 L209R203-G207 PolarHBondContact O-N 3.33Å; S204-G207 PolarHBondContact O-N 2.96Å; V205-G207 VanDerWaalsContact C-N 3.27Å; V205-G207 PolarHBondContact O-N 3.44Å; G207-L209 VanDerWaalsContact C-N 3.34Å
208M93.8Very high84.9Confident85 Ų8578.3 Ų78.342%0.41941%0.414SS..THydrogen-bonded Turntrans-85.1-7.9173.3-65.7-66.8179.100113S204 V205 L206 C256 L257 W260 I282S204-M208 WeakPolarHBondContact O-CG 3.15Å; S204-M208 PolarHBondContact O-N 3Å; V205-M208 WeakPolarHBondContact O-CB 3.28Å; V205-M208 PolarHBondContact O-N 3.15Å; V205-M208 VanDerWaalsContact O-N 3.08Å; L206-M208 PolarHBondContact O-N 2.94Å; M208-C256 HydrophobicContact SD-CB 4.37Å; M208-L257 HydrophobicContact CB-CD2 4.26Å; M208-L257 HydrophobicContact CG-CD2 4.23Å; M208-W260 HydrophobicContact CE-CH2 3.58Å; M208-W260 HydrophobicContact CE-CZ3 4.06Å; M208-W260 HydrophobicContact CG-CH2 4.2Å; M208-W260 HydrophobicContact CG-CZ3 3.99Å; M208-I282 HydrophobicContact CB-CD1 3.9Å
209L90.9Very high84.9Confident38 Ų3875.4 Ų75.420%0.19940%0.401CS..SBendtrans-67.1138.9176.4-76.5164.7000110.4L185 C189 L206 G207 V278 I282L185-L209 HydrophobicContact CD1-CD1 4.32Å; L185-L209 HydrophobicContact CD1-CD2 3.86Å; L185-L209 HydrophobicContact CD2-CD2 4.11Å; C189-L209 WeakPolarHBondContact SG-CD1 3.32Å; L206-L209 HydrophobicContact CD2-CD1 3.87Å; L206-L209 WeakPolarHBondContact O-CB 3.48Å; L206-L209 PolarHBondContact O-N 3.31Å; L206-L209 VanDerWaalsContact O-N 3.14Å; G207-L209 VanDerWaalsContact C-N 3.34Å; L209-V278 HydrophobicContact CD1-CG1 4.45Å; L209-V278 HydrophobicContact CD2-CG1 4.07Å; L209-V278 HydrophobicContact CG-CG1 4.25Å; L209-I282 HydrophobicContact CD2-CD1 4.37Å; L209-I282 HydrophobicContact CD2-CG1 3.85Å; L209-I282 HydrophobicContact CG-CG1 4.48Å
210P79.6Confident84.8Confident40 Ų4080.7 Ų80.726%0.2643%0.429SS..  trans-69.5150.6176.431-35.3000110.8S212 L213 E285P210-S212 PolarHBondContact O-N 3.24Å; P210-L213 HydrophobicContact CG-CD1 4.41Å; P210-L213 HydrophobicContact CG-CD2 3.34Å; P210-L213 HydrophobicContact CG-CG 3.72Å; P210-E285 HydrophobicContact CB-CB 4.44Å; P210-E285 HydrophobicContact CB-CG 3.82Å; P210-E285 HydrophobicContact CG-CB 3.87Å; P210-E285 HydrophobicContact CG-CG 3.79Å
211S74.1Confident84.9Confident140 Ų14080.5 Ų80.598%0.97942%0.421SS*.SBendtrans-65.1-19-177.9-45.10000114.1
212S69.6Low84.9Confident84 Ų8478.7 Ų78.759%0.58741%0.414SS*.  trans-146.5139.2175.6-177.50000108.9P210P210-S212 PolarHBondContact O-N 3.24Å
213L71.9Confident84.9Confident56 Ų5678.7 Ų78.729%0.29341%0.414SS..  trans-121.4109.3176-76.7165.2000109.4L185 P210 A215 E285L185-L213 HydrophobicContact CD2-CD1 3.01Å; L185-L213 HydrophobicContact CD2-CG 4.5Å; L185-L213 HydrophobicContact CG-CD1 4.42Å; P210-L213 HydrophobicContact CG-CD1 4.41Å; P210-L213 HydrophobicContact CG-CD2 3.34Å; P210-L213 HydrophobicContact CG-CG 3.72Å; L213-A215 PolarHBondContact O-N 2.91Å; L213-E285 HydrophobicContact CD2-CB 3.94Å
214D69.9Low85.1Confident98 Ų9871.4 Ų71.452%0.52439%0.386SS..  trans-96.768.9178.3-113.7-21.9000110.1R216 R217 N288D214-R216 PolarHBondContact O-N 3.16Å; D214-R216 VanDerWaalsContact O-N 3.1Å; D214-R217 HydrophobicContact CB-CB 4.13Å; D214-R217 WeakPolarHBondContact O-CB 3.02Å; D214-R217 PolarHBondContact O-N 3.36Å; D214-N288 PolarHBondContact O-ND2 3.33Å
215A64.8Low85.2Confident31 Ų3168.6 Ų68.626%0.25637%0.367SS..THydrogen-bonded Turntrans-62.2-18.4-179.400000113.9L213 D334L213-A215 PolarHBondContact O-N 2.91Å; A215-D334 VanDerWaalsContact CB-C 3.44Å; A215-D334 WeakPolarHBondContact CB-O 3.41Å
216R66.3Low85.3Confident234 Ų23468.6 Ų68.688%0.88337%0.367SS*.THydrogen-bonded Turntrans-91.5-7.4178.4-62.5-173.4-176.2-169.82.6113.4D214 K218D214-R216 PolarHBondContact O-N 3.16Å; D214-R216 VanDerWaalsContact O-N 3.1Å; R216-K218 PolarHBondContact O-N 3.46Å
217R75.4Confident85.4Confident123 Ų12366.9 Ų66.946%0.46436%0.358SS..PPolyproline II helixtrans-68.1121176.2-176.2174.5177.7-177.7-4.6108.2D214 P219 D220D214-R217 HydrophobicContact CB-CB 4.13Å; D214-R217 WeakPolarHBondContact O-CB 3.02Å; D214-R217 PolarHBondContact O-N 3.36Å; R217-P219 WeakPolarHBondContact O-CD 3.36Å; R217-D220 IonicContact NH2-OD2 3.24Å
218K81.9Confident85.4Confident180 Ų18064 Ų6478%0.78333%0.327SS*.PPolyproline II helixtrans-73.5126.2171.8-169.7178.3178.5-176.10108.1R216R216-K218 PolarHBondContact O-N 3.46Å
219P87.8Confident85.3Confident27 Ų2760.4 Ų60.418%0.17531%0.31CS..PPolyproline II helixtrans-59144.7173.4-27.938.2000112.4R217 F221 V223 A291 L336R217-P219 WeakPolarHBondContact O-CD 3.36Å; P219-F221 VanDerWaalsContact CB-O 3.24Å; P219-F221 WeakPolarHBondContact CB-O 3.39Å; P219-V223 HydrophobicContact CB-CG2 4.06Å; P219-V223 HydrophobicContact CG-CG2 3.89Å; P219-A291 HydrophobicContact CB-CB 3.71Å; P219-L336 HydrophobicContact CG-CD1 4.01Å
220D91.4Very high85Confident111 Ų11159.6 Ų59.659%0.59431%0.306SS*.SBendtrans-74.8-35.4177.5-59.8-39.6000110.9R217 A291R217-D220 IonicContact NH2-OD2 3.24Å; D220-A291 PolarHBondContact N-O 3.1Å
221F95.7Very high85.3Confident77 Ų7757.9 Ų57.934%0.33830%0.295SS..SBendtrans-109.9153.5173.3-70.6-89000111.6P219 A291 K293 S294 P295P219-F221 VanDerWaalsContact CB-O 3.24Å; P219-F221 WeakPolarHBondContact CB-O 3.39Å; F221-A291 WeakPolarHBondContact CB-O 3.39Å; F221-A291 WeakPolarHBondContact CD2-O 3.15Å; F221-A291 PolarHBondContact N-O 3.19Å; F221-K293 VanDerWaalsContact CE2-C 3.43Å; F221-K293 WeakPolarHBondContact CE2-O 3.37Å; F221-S294 VanDerWaalsContact CB-O 3.23Å; F221-S294 WeakPolarHBondContact CB-O 3.23Å; F221-S294 VanDerWaalsContact CG-C 3.5Å; F221-P295 HydrophobicContact CD1-CG 4.13Å
222P96.2Very high85.9Confident18 Ų1851.4 Ų51.412%0.11725%0.25CC..  trans-68.9147.2-176.728.8-36.1000112.4I224 P295 V296 S339 C415 L417P222-I224 HydrophobicContact CB-CD1 4.2Å; P222-I224 HydrophobicContact CG-CD1 4.31Å; P222-P295 HydrophobicContact CG-CB 4.31Å; P222-P295 WeakPolarHBondContact O-CA 3.32Å; P222-V296 PolarHBondContact O-N 2.77Å; P222-S339 WeakPolarHBondContact CA-OG 3.29Å; P222-C415 HydrophobicContact CB-CB 3.84Å; P222-C415 HydrophobicContact CG-CB 4.13Å; P222-L417 HydrophobicContact CG-CD1 3.42Å; P222-L417 VanDerWaalsContact CG-CD1 3.42Å; P222-L417 HydrophobicContact CG-CD2 3.65Å; P222-L417 HydrophobicContact CG-CG 3.57Å
223V97.4Very high86.8Confident1 Ų148.4 Ų48.41%0.00623%0.232CC..EExtended strand (participates in β ladder)trans-110.7119.3177.2-178.80000108.2P219 I287 A291 V296 V298 L336 P338 S339 L340P219-V223 HydrophobicContact CB-CG2 4.06Å; P219-V223 HydrophobicContact CG-CG2 3.89Å; V223-I287 HydrophobicContact CB-CG2 4.21Å; V223-I287 HydrophobicContact CG1-CD1 4.33Å; V223-I287 HydrophobicContact CG1-CG2 3.71Å; V223-I287 HydrophobicContact CG2-CG2 3.4Å; V223-I287 VanDerWaalsContact CG2-CG2 3.4Å; V223-A291 HydrophobicContact CG2-CB 4.07Å; V223-V296 WeakPolarHBondContact CA-O 3.15Å; V223-V296 HydrophobicContact CG2-CB 4.49Å; V223-V298 HydrophobicContact CG1-CG2 3.97Å; V223-L336 HydrophobicContact CG1-CD2 4.47Å; V223-P338 HydrophobicContact CB-CB 4.48Å; V223-P338 HydrophobicContact CG1-CB 4.17Å; V223-S339 PolarHBondContact N-OG 3.5Å; V223-S339 WeakPolarHBondContact O-CA 3.36Å; V223-S339 WeakPolarHBondContact O-CB 3.48Å; V223-S339 PolarHBondContact O-N 3.1Å; V223-L340 PolarHBondContact O-N 2.8Å
224I98.3Very high87.9Confident0 Ų046.3 Ų46.30%022%0.221CC..EExtended strand (participates in β ladder)trans-115.6118.6-178.6-55.694.8000108.8P222 I226 V296 I297 V298 L340 I342 I411 L417P222-I224 HydrophobicContact CB-CD1 4.2Å; P222-I224 HydrophobicContact CG-CD1 4.31Å; I224-I226 HydrophobicContact CG2-CD1 4.03Å; I224-V296 PolarHBondContact N-O 3.42Å; I224-I297 HydrophobicContact CB-CD1 4Å; I224-I297 HydrophobicContact CD1-CD1 4.21Å; I224-I297 HydrophobicContact CG2-CD1 4.5Å; I224-I297 CarbonylContact O-C 3.6Å; I224-I297 WeakPolarHBondContact O-CA 3.37Å; I224-V298 PolarHBondContact O-N 3.25Å; I224-L340 WeakPolarHBondContact CA-O 3.47Å; I224-L340 HydrophobicContact CG1-CB 4.37Å; I224-L340 HydrophobicContact CG2-CB 4.41Å; I224-L340 HydrophobicContact CG2-CD2 4.34Å; I224-L340 HydrophobicContact CG2-CG 4.48Å; I224-I342 HydrophobicContact CG2-CD1 4.11Å; I224-I342 HydrophobicContact CG2-CG1 4.31Å; I224-I411 HydrophobicContact CD1-CG2 4.35Å; I224-I411 HydrophobicContact CG1-CD1 4.48Å; I224-I411 HydrophobicContact CG1-CG1 4.28Å; I224-I411 HydrophobicContact CG1-CG2 4.4Å; I224-I411 HydrophobicContact CG2-CD1 4.2Å; I224-I411 HydrophobicContact CG2-CG1 4.24Å; I224-L417 HydrophobicContact CD1-CD1 4.37Å
225V98.3Very high88.9Confident0 Ų044 Ų440%021%0.21CC..EExtended strand (participates in β ladder)trans-96.3131.2176.4-177.40000109.1E227 V298 F301 P338 L340 V341 I342V225-E227 HydrophobicContact CG1-CG 3.93Å; V225-V298 WeakPolarHBondContact CA-O 3.32Å; V225-V298 HydrophobicContact CG2-CB 4.16Å; V225-V298 HydrophobicContact CG2-CG2 4.41Å; V225-F301 HydrophobicContact CG1-CB 3.7Å; V225-F301 HydrophobicContact CG2-CB 4.08Å; V225-F301 HydrophobicContact CG2-CD1 4.24Å; V225-F301 HydrophobicContact CG2-CG 4.49Å; V225-P338 HydrophobicContact CG2-CB 3.55Å; V225-P338 HydrophobicContact CG2-CG 3.85Å; V225-L340 PolarHBondContact N-O 2.85Å; V225-V341 HydrophobicContact CB-CG1 4.41Å; V225-V341 HydrophobicContact CB-CG2 4.31Å; V225-V341 WeakPolarHBondContact O-CA 3.36Å; V225-I342 PolarHBondContact O-N 2.8Å
226I98.4Very high90.3Very high0 Ų046.1 Ų46.10%022%0.22CC..EExtended strand (participates in β ladder)trans-103.8115.1171.8-51.5-55.9000108.5I224 K234 L237 T238 L241 I297 V298 R300 I342 L344I224-I226 HydrophobicContact CG2-CD1 4.03Å; I226-K234 HydrophobicContact CG2-CB 4.43Å; I226-K234 HydrophobicContact CG2-CG 4.2Å; I226-L237 HydrophobicContact CG2-CD2 4.35Å; I226-T238 HydrophobicContact CB-CG2 3.82Å; I226-T238 HydrophobicContact CG1-CG2 3.72Å; I226-T238 HydrophobicContact CG2-CG2 4.19Å; I226-L241 HydrophobicContact CD1-CD1 3.9Å; I226-L241 HydrophobicContact CG1-CD1 4.32Å; I226-I297 HydrophobicContact CG1-CG2 4.06Å; I226-V298 PolarHBondContact N-O 3.5Å; I226-R300 PolarHBondContact O-N 2.8Å; I226-I342 HydrophobicContact CD1-CB 3.85Å; I226-I342 HydrophobicContact CD1-CD1 3.97Å; I226-I342 HydrophobicContact CD1-CG1 4.19Å; I226-L344 HydrophobicContact CG2-CD1 4.15Å; I226-L344 HydrophobicContact CG2-CG 4.07Å
227E97.9Very high91.8Very high0 Ų035.3 Ų35.30%018%0.18CC..EExtended strand (participates in β ladder)trans-109.9165.8178.9-74-66.8169.200111V225 R300 F301 H303 S304 V341 I342 L343 L344 Y383V225-E227 HydrophobicContact CG1-CG 3.93Å; E227-R300 WeakPolarHBondContact OE1-CA 3.17Å; E227-F301 PolarHBondContact OE1-N 3.43Å; E227-H303 HydrophobicContact CG-CB 3.9Å; E227-S304 PolarHBondContact OE1-N 3.46Å; E227-S304 WeakPolarHBondContact OE2-CB 3.49Å; E227-S304 PolarHBondContact OE2-N 2.9Å; E227-S304 PolarHBondContact OE2-OG 3.44Å; E227-V341 HydrophobicContact CB-CG1 4.48Å; E227-V341 HydrophobicContact CG-CG1 3.93Å; E227-I342 PolarHBondContact N-O 3.29Å; E227-L343 HydrophobicContact CB-CD1 3.85Å; E227-L344 PolarHBondContact O-N 2.79Å; E227-Y383 HydrophobicContact CB-CE1 3.99Å; E227-Y383 HydrophobicContact CG-CE1 4.06Å; E227-Y383 WeakPolarHBondContact OE2-CE1 3.31Å; E227-Y383 PolarHBondContact OE2-OH 3.08Å
228G94.1Very high92.8Very high0 Ų029.5 Ų29.50%016%0.158CC..EExtended strand (participates in β ladder)trans148.8163.9174.100000112.7K234 R300G228-K234 PolarHBondContact O-NZ 3.05Å; G228-R300 PolarHBondContact O-NH1 2.84Å; G228-R300 PolarHBondContact O-NH2 3.48Å; G228-R300 VanDerWaalsContact O-NH2 3.12Å
229L91.2Very high93.5Very high11 Ų1124.7 Ų24.76%0.05814%0.138CC..  trans-66166.3176.5-58.4-175.5000111.9T232 K234 L369 R376 V379 E380L229-T232 HydrophobicContact CB-CG2 4.11Å; L229-T232 VanDerWaalsContact O-CG2 3.27Å; L229-T232 WeakPolarHBondContact O-CG2 3.15Å; L229-T232 PolarHBondContact O-N 2.99Å; L229-T232 PolarHBondContact O-OG1 3.21Å; L229-K234 PolarHBondContact O-NZ 3.47Å; L229-L369 HydrophobicContact CD2-CD1 4.26Å; L229-L369 HydrophobicContact CD2-CD2 4.47Å; L229-R376 HydrophobicContact CD1-CG 3.72Å; L229-V379 HydrophobicContact CD2-CB 4.44Å; L229-V379 HydrophobicContact CD2-CG1 3.66Å; L229-E380 HydrophobicContact CD1-CG 4.09Å; L229-E380 WeakPolarHBondContact CD1-OE1 3.4Å
230D85.4Confident94Very high21 Ų2125.3 Ų25.311%0.11214%0.143CC..THydrogen-bonded Turntrans-64.1145.8175.3-56.5-60.1000111.4T232 R300 Y308 R351 E366D230-T232 VanDerWaalsContact C-N 3.33Å; D230-T232 PolarHBondContact O-N 2.57Å; D230-R300 IonicContact OD1-CZ 2.84Å; D230-R300 IonicContact OD1-NH2 3.25Å; D230-R300 PolarHBondContact OD1-NH2 3.23Å; D230-R300 IonicContact OD2-NH2 2.88Å; D230-R300 PolarHBondContact OD2-NH2 3.2Å; D230-Y308 PolarHBondContact OD2-OH 2.84Å; D230-R351 PolarHBondContact O-NE 3.48Å; D230-E366 HydrophobicContact CB-CG 4.14Å; D230-E366 VanDerWaalsContact CG-OE1 3.22Å
231A84.3Confident94.3Very high4 Ų420 Ų203%0.03312%0.115CC..THydrogen-bonded Turntrans64.419.5-173.700000117.1G233 R351 R354 L355A231-G233 VanDerWaalsContact C-N 3.3Å; A231-G233 PolarHBondContact O-N 3.37Å; A231-R351 HydrophobicContact CB-CG 4.46Å; A231-R354 HydrophobicContact CB-CB 4.02Å; A231-R354 WeakPolarHBondContact O-CD 3.31Å; A231-L355 HydrophobicContact CB-CD2 3.62Å; A231-L355 HydrophobicContact CB-CG 3.64Å
232T88.4Confident94.4Very high4 Ų420.9 Ų20.93%0.02512%0.116CC..SBendtrans-80.4-3.4171.758.10000114.7L229 D230 L346 A396L229-T232 HydrophobicContact CB-CG2 4.11Å; L229-T232 VanDerWaalsContact O-CG2 3.27Å; L229-T232 WeakPolarHBondContact O-CG2 3.15Å; L229-T232 PolarHBondContact O-N 2.99Å; L229-T232 PolarHBondContact O-OG1 3.21Å; D230-T232 VanDerWaalsContact C-N 3.33Å; D230-T232 PolarHBondContact O-N 2.57Å; T232-L346 HydrophobicContact CG2-CB 4.03Å; T232-A396 WeakPolarHBondContact O-CB 3.19Å
233G88.6Confident94.5Very high21 Ų2125.1 Ų25.122%0.21614%0.138CC..SBendtrans9213.3-179.600000115.3A231 T235 T236 L237A231-G233 VanDerWaalsContact C-N 3.3Å; A231-G233 PolarHBondContact O-N 3.37Å; G233-T235 PolarHBondContact O-N 2.96Å; G233-T236 PolarHBondContact O-N 2.86Å; G233-L237 PolarHBondContact O-N 3.13Å; G233-L237 VanDerWaalsContact O-N 3.09Å
234K93.8Very high94.4Very high12 Ų1228.1 Ų28.15%0.05216%0.159CC..Hα-helixtrans-47.5-54179-66.3-170.6-63.3-77.20113.5I226 G228 L229 T236 L237 T238 L344I226-K234 HydrophobicContact CG2-CB 4.43Å; I226-K234 HydrophobicContact CG2-CG 4.2Å; G228-K234 PolarHBondContact O-NZ 3.05Å; L229-K234 PolarHBondContact O-NZ 3.47Å; K234-T236 VanDerWaalsContact C-N 3.32Å; K234-T236 PolarHBondContact O-N 3.23Å; K234-L237 PolarHBondContact O-N 3.02Å; K234-L237 VanDerWaalsContact O-N 3.08Å; K234-T238 WeakPolarHBondContact O-CG2 3.49Å; K234-T238 PolarHBondContact O-N 2.68Å; K234-T238 PolarHBondContact O-OG1 3.27Å; K234-T238 VanDerWaalsContact O-OG1 3.06Å; K234-L344 HydrophobicContact CB-CD1 4.42Å; K234-L344 HydrophobicContact CG-CD1 3.88Å; K234-L344 HydrophobicContact CG-CG 4.49Å
235T91.6Very high94.4Very high50 Ų5030 Ų3031%0.30717%0.168SC..Hα-helixtrans-54.7-48.3-177-49.10000111.8G233 L237 T238 E239G233-T235 PolarHBondContact O-N 2.96Å; T235-L237 PolarHBondContact O-N 3.22Å; T235-T238 WeakPolarHBondContact CA-OG1 3.33Å; T235-T238 PolarHBondContact O-N 3.14Å; T235-T238 PolarHBondContact O-OG1 3.31Å; T235-E239 WeakPolarHBondContact O-CG 3.34Å; T235-E239 PolarHBondContact O-N 3.02Å; T235-E239 VanDerWaalsContact O-N 3.08Å
236T93.9Very high94.3Very high74 Ų7432.7 Ų32.745%0.45420%0.196SC..Hα-helixtrans-58.3-49.9176.6-53.20000111.2G233 K234 T238 E239 S240 A400G233-T236 PolarHBondContact O-N 2.86Å; K234-T236 VanDerWaalsContact C-N 3.32Å; K234-T236 PolarHBondContact O-N 3.23Å; T236-T238 PolarHBondContact O-N 3.02Å; T236-E239 PolarHBondContact O-N 2.89Å; T236-S240 PolarHBondContact O-N 2.97Å; T236-S240 VanDerWaalsContact O-N 3.11Å; T236-S240 PolarHBondContact O-OG 2.64Å; T236-S240 VanDerWaalsContact O-OG 3.13Å; T236-A400 HydrophobicContact CG2-CB 4.17Å
237L97.3Very high94.2Very high7 Ų733.1 Ų33.14%0.03720%0.2CC..Hα-helixtrans-63.6-43.8-179.818061.8000112.3I226 G233 K234 T235 E239 S240 L241 L344 L394 V403 L404 A407I226-L237 HydrophobicContact CG2-CD2 4.35Å; G233-L237 PolarHBondContact O-N 3.13Å; G233-L237 VanDerWaalsContact O-N 3.09Å; K234-L237 PolarHBondContact O-N 3.02Å; K234-L237 VanDerWaalsContact O-N 3.08Å; T235-L237 PolarHBondContact O-N 3.22Å; L237-E239 VanDerWaalsContact C-N 3.34Å; L237-E239 PolarHBondContact O-N 3.44Å; L237-S240 PolarHBondContact O-N 2.85Å; L237-L241 HydrophobicContact CD1-CD1 4Å; L237-L241 HydrophobicContact CD1-CG 3.95Å; L237-L241 HydrophobicContact CD2-CD1 4.34Å; L237-L241 HydrophobicContact CG-CD1 3.78Å; L237-L241 HydrophobicContact CG-CG 4.19Å; L237-L241 WeakPolarHBondContact O-CB 3.4Å; L237-L241 VanDerWaalsContact O-CG 3.29Å; L237-L241 WeakPolarHBondContact O-CG 3.12Å; L237-L241 PolarHBondContact O-N 3.04Å; L237-L344 HydrophobicContact CB-CD1 4.48Å; L237-L344 HydrophobicContact CD2-CD1 3.94Å; L237-L344 HydrophobicContact CD2-CD2 3.65Å; L237-L344 HydrophobicContact CD2-CG 4.26Å; L237-L394 HydrophobicContact CD2-CD2 4.29Å; L237-V403 HydrophobicContact CD1-CG1 4.29Å; L237-V403 HydrophobicContact CD2-CG1 4.25Å; L237-L404 HydrophobicContact CD1-CB 4.29Å; L237-L404 HydrophobicContact CD1-CD1 4.16Å; L237-A407 HydrophobicContact CD1-CB 3.97Å; L237-A407 HydrophobicContact CD2-CB 4.32Å
238T97.6Very high94.2Very high2 Ų234.8 Ų34.81%0.01221%0.21CC..Hα-helixtrans-64.1-38.4-177.851.60000112.5I226 K234 T235 T236 R242 L249 I297 D299I226-T238 HydrophobicContact CB-CG2 3.82Å; I226-T238 HydrophobicContact CG1-CG2 3.72Å; I226-T238 HydrophobicContact CG2-CG2 4.19Å; K234-T238 WeakPolarHBondContact O-CG2 3.49Å; K234-T238 PolarHBondContact O-N 2.68Å; K234-T238 PolarHBondContact O-OG1 3.27Å; K234-T238 VanDerWaalsContact O-OG1 3.06Å; T235-T238 WeakPolarHBondContact CA-OG1 3.33Å; T235-T238 PolarHBondContact O-N 3.14Å; T235-T238 PolarHBondContact O-OG1 3.31Å; T236-T238 PolarHBondContact O-N 3.02Å; T238-R242 WeakPolarHBondContact O-CB 3.32Å; T238-R242 PolarHBondContact O-N 3.32Å; T238-L249 HydrophobicContact CG2-CD1 4.27Å; T238-I297 HydrophobicContact CG2-CG2 3.93Å; T238-D299 HydrophobicContact CG2-CB 4.19Å
239E97.2Very high94.4Very high78 Ų7836.5 Ų36.536%0.36422%0.219SC..Hα-helixtrans-68.2-45.7175.9-72175173.300111T235 T236 L237 L241 R242 D243 L249T235-E239 WeakPolarHBondContact O-CG 3.34Å; T235-E239 PolarHBondContact O-N 3.02Å; T235-E239 VanDerWaalsContact O-N 3.08Å; T236-E239 PolarHBondContact O-N 2.89Å; L237-E239 VanDerWaalsContact C-N 3.34Å; L237-E239 PolarHBondContact O-N 3.44Å; E239-L241 VanDerWaalsContact C-N 3.35Å; E239-L241 PolarHBondContact O-N 3.32Å; E239-R242 WeakPolarHBondContact O-CB 3.22Å; E239-R242 PolarHBondContact O-N 3.37Å; E239-D243 PolarHBondContact O-N 3.48Å; E239-D243 VanDerWaalsContact O-N 3.09Å; E239-L249 HydrophobicContact CG-CD2 4.28Å
240S97.5Very high94.7Very high41 Ų4137.1 Ų37.129%0.28722%0.222SC..Hα-helixtrans-64.6-37.1177.2-59.60000113.2T236 L237 S244T236-S240 PolarHBondContact O-N 2.97Å; T236-S240 VanDerWaalsContact O-N 3.11Å; T236-S240 PolarHBondContact O-OG 2.64Å; T236-S240 VanDerWaalsContact O-OG 3.13Å; L237-S240 PolarHBondContact O-N 2.85Å; S240-S244 VanDerWaalsContact O-CB 3.28Å; S240-S244 WeakPolarHBondContact O-CB 3.4Å; S240-S244 PolarHBondContact O-N 3.39Å; S240-S244 PolarHBondContact O-OG 3Å
241L97.8Very high95.2Very high0 Ų042 Ų420%024%0.239CC..Hα-helixtrans-66.8-42.3174.5-76.7174000111.8I226 L237 E239 D243 S244 L245 I297 L404 A407 L408 I411I226-L241 HydrophobicContact CD1-CD1 3.9Å; I226-L241 HydrophobicContact CG1-CD1 4.32Å; L237-L241 HydrophobicContact CD1-CD1 4Å; L237-L241 HydrophobicContact CD1-CG 3.95Å; L237-L241 HydrophobicContact CD2-CD1 4.34Å; L237-L241 HydrophobicContact CG-CD1 3.78Å; L237-L241 HydrophobicContact CG-CG 4.19Å; L237-L241 WeakPolarHBondContact O-CB 3.4Å; L237-L241 VanDerWaalsContact O-CG 3.29Å; L237-L241 WeakPolarHBondContact O-CG 3.12Å; L237-L241 PolarHBondContact O-N 3.04Å; E239-L241 VanDerWaalsContact C-N 3.35Å; E239-L241 PolarHBondContact O-N 3.32Å; L241-D243 VanDerWaalsContact C-N 3.31Å; L241-D243 PolarHBondContact O-N 3.29Å; L241-S244 PolarHBondContact O-N 2.95Å; L241-L245 HydrophobicContact CD2-CD1 4.38Å; L241-L245 WeakPolarHBondContact O-CB 3.2Å; L241-L245 WeakPolarHBondContact O-CG 3.3Å; L241-L245 PolarHBondContact O-N 2.91Å; L241-I297 HydrophobicContact CB-CD1 4.07Å; L241-I297 HydrophobicContact CB-CG1 4.22Å; L241-I297 HydrophobicContact CD1-CD1 4.39Å; L241-L404 HydrophobicContact CD2-CD1 3.71Å; L241-L404 HydrophobicContact CG-CD1 3.96Å; L241-A407 HydrophobicContact CD1-CB 4.44Å; L241-A407 HydrophobicContact CD2-CB 4.2Å; L241-L408 HydrophobicContact CD2-CD2 3.73Å; L241-L408 HydrophobicContact CD2-CG 4.01Å; L241-I411 HydrophobicContact CD1-CD1 4.18Å; L241-I411 HydrophobicContact CD2-CD1 3.69Å
242R97.6Very high95.6Very high94 Ų9442.4 Ų42.436%0.35524%0.242SC..Hα-helixtrans-52.5-52.5174.4-175.6-160.464.1-163.3-7.6110.4T238 E239 G246 A247 L249T238-R242 WeakPolarHBondContact O-CB 3.32Å; T238-R242 PolarHBondContact O-N 3.32Å; E239-R242 WeakPolarHBondContact O-CB 3.22Å; E239-R242 PolarHBondContact O-N 3.37Å; R242-G246 WeakPolarHBondContact O-CA 3.17Å; R242-G246 PolarHBondContact O-N 3.32Å; R242-A247 WeakPolarHBondContact CG-O 3.37Å; R242-A247 PolarHBondContact O-N 2.87Å; R242-L249 HydrophobicContact CB-CB 4.26Å; R242-L249 HydrophobicContact CG-CB 4.02Å
243D97.5Very high95.8Very high107 Ų10743.4 Ų43.457%0.57225%0.248SC*.Hα-helixtrans-69.5-40.3-176-62.5-12.2000111.8E239 L241 L245E239-D243 PolarHBondContact O-N 3.48Å; E239-D243 VanDerWaalsContact O-N 3.09Å; L241-D243 VanDerWaalsContact C-N 3.31Å; L241-D243 PolarHBondContact O-N 3.29Å; D243-L245 PolarHBondContact O-N 3.28Å
244S97Very high96.1Very high65 Ų6542.5 Ų42.546%0.45524%0.239SC..Hα-helixtrans-70.3-29.9-178.3-59.50000113.9S240 L241S240-S244 VanDerWaalsContact O-CB 3.28Å; S240-S244 WeakPolarHBondContact O-CB 3.4Å; S240-S244 PolarHBondContact O-N 3.39Å; S240-S244 PolarHBondContact O-OG 3Å; L241-S244 PolarHBondContact O-N 2.95Å
245L96.3Very high96.1Very high38 Ų3848.3 Ų48.320%0.19927%0.266CS..Hα-helixtrans-104.3-4.1-176.4-63.2174.8000113.2L241 D243 A247 I297 L408 I411L241-L245 HydrophobicContact CD2-CD1 4.38Å; L241-L245 WeakPolarHBondContact O-CB 3.2Å; L241-L245 WeakPolarHBondContact O-CG 3.3Å; L241-L245 PolarHBondContact O-N 2.91Å; D243-L245 PolarHBondContact O-N 3.28Å; L245-A247 HydrophobicContact CB-CB 4.02Å; L245-A247 PolarHBondContact O-N 2.95Å; L245-I297 HydrophobicContact CD1-CD1 4.29Å; L245-L408 HydrophobicContact CD1-CD2 4.18Å; L245-L408 HydrophobicContact CD2-CD2 3.64Å; L245-L408 HydrophobicContact CG-CD2 3.82Å; L245-I411 HydrophobicContact CD1-CD1 4.04Å; L245-I411 HydrophobicContact CD1-CG2 4.29Å
246G96.6Very high96.2Very high57 Ų5748.2 Ų48.259%0.58827%0.267SS*.THydrogen-bonded Turntrans58.431.5-168.900000112.2R242R242-G246 WeakPolarHBondContact O-CA 3.17Å; R242-G246 PolarHBondContact O-N 3.32Å
247A97.5Very high96.2Very high9 Ų944.7 Ų44.77%0.07425%0.246CC..PPolyproline II helixtrans-86.2161.6-172.800000111.6R242 L245 P295 I297R242-A247 WeakPolarHBondContact CG-O 3.37Å; R242-A247 PolarHBondContact O-N 2.87Å; L245-A247 HydrophobicContact CB-CB 4.02Å; L245-A247 PolarHBondContact O-N 2.95Å; A247-P295 CarbonylContact C-O 3.55Å; A247-P295 WeakPolarHBondContact CA-O 3.41Å; A247-P295 HydrophobicContact CB-CB 4.03Å; A247-P295 WeakPolarHBondContact CB-O 3.3Å; A247-I297 HydrophobicContact CB-CG1 3.85Å
248T98.1Very high96Very high36 Ų3647.4 Ų47.422%0.22127%0.265CS..EExtended strand (participates in β ladder)trans-88.5132.5167.7-63.50000109.8L250 E290 S294 P295 V296 I297T248-L250 HydrophobicContact CG2-CD2 4.12Å; T248-L250 HydrophobicContact CG2-CG 4.33Å; T248-E290 HydrophobicContact CG2-CB 4.12Å; T248-E290 HydrophobicContact CG2-CG 3.94Å; T248-E290 PolarHBondContact OG1-OE2 3Å; T248-S294 PolarHBondContact OG1-OG 2.72Å; T248-P295 PolarHBondContact N-O 3.05Å; T248-V296 CarbonylContact O-C 3.43Å; T248-V296 WeakPolarHBondContact O-CA 3.23Å; T248-I297 PolarHBondContact O-N 2.68Å
249L98.2Very high95.8Very high36 Ų3651.3 Ų51.319%0.18830%0.297CS..EExtended strand (participates in β ladder)trans-99.6119.7176176.858.7000110.9T238 E239 R242 I297T238-L249 HydrophobicContact CG2-CD1 4.27Å; E239-L249 HydrophobicContact CG-CD2 4.28Å; R242-L249 HydrophobicContact CB-CB 4.26Å; R242-L249 HydrophobicContact CG-CB 4.02Å; L249-I297 CarbonylContact C-O 3.59Å; L249-I297 WeakPolarHBondContact CA-O 3.38Å; L249-I297 HydrophobicContact CD1-CB 4.03Å; L249-I297 HydrophobicContact CD1-CG2 3.83Å
250L97.6Very high95.7Very high23 Ų2349.7 Ų49.712%0.1229%0.288CS..EExtended strand (participates in β ladder)trans-113.9161.7173.9-59.7-179.5000110.9T248 Q286 I287 V296 I297 V298 D299T248-L250 HydrophobicContact CG2-CD2 4.12Å; T248-L250 HydrophobicContact CG2-CG 4.33Å; L250-Q286 HydrophobicContact CD1-CB 3.94Å; L250-I287 HydrophobicContact CD1-CB 4.4Å; L250-I287 HydrophobicContact CD1-CG1 3.73Å; L250-V296 HydrophobicContact CD1-CG1 3.8Å; L250-V296 HydrophobicContact CG-CG1 4.07Å; L250-I297 PolarHBondContact N-O 2.76Å; L250-V298 WeakPolarHBondContact O-CA 3.3Å; L250-D299 PolarHBondContact O-N 3.09Å
251R95.4Very high95.5Very high124 Ų12452.9 Ų52.947%0.46829%0.294SS..EExtended strand (participates in β ladder)trans-128146.6179-61.4-176.8177170.1-0.9110.3P253 P254 T283 D299R251-P253 CarbonylContact O-C 3.47Å; R251-P254 WeakPolarHBondContact O-CA 3.49Å; R251-T283 PolarHBondContact O-OG1 3.27Å; R251-D299 HydrophobicContact CG-CB 4.31Å
252S92.8Very high95.2Very high13 Ų1355 Ų559%0.09132%0.315CS..SBendtrans-118.4127.1166.5-167.20000111N280 D299 R300S252-N280 PolarHBondContact OG-OD1 2.84Å; S252-D299 PolarHBondContact N-O 3.41Å; S252-R300 WeakPolarHBondContact CB-O 3.47Å
253P92.9Very high95Very high24 Ų2454.3 Ų54.316%0.15631%0.312CS..SBendcis-67.6155-1.830.1-36.7000112.4R251 Y276R251-P253 CarbonylContact O-C 3.47Å; P253-Y276 HydrophobicContact CB-CD1 4.43Å; P253-Y276 HydrophobicContact CB-CE1 4.45Å; P253-Y276 HydrophobicContact CG-CD1 4.28Å; P253-Y276 HydrophobicContact CG-CE1 3.85Å
254P94.4Very high94.9Very high2 Ų249.2 Ų49.21%0.01329%0.285CS..  trans-72154.5-176.527.8-30.5000111.7R251 C256 L257 I282 T283R251-P254 WeakPolarHBondContact O-CA 3.49Å; P254-C256 PolarHBondContact O-N 3.13Å; P254-C256 VanDerWaalsContact O-N 3.13Å; P254-L257 HydrophobicContact CG-CD1 4.19Å; P254-L257 HydrophobicContact CG-CG 4.1Å; P254-L257 PolarHBondContact O-N 2.91Å; P254-I282 HydrophobicContact CB-CG2 4.41Å; P254-I282 HydrophobicContact CG-CB 4.03Å; P254-I282 HydrophobicContact CG-CG2 3.69Å; P254-T283 VanDerWaalsContact CD-OG1 3.29Å; P254-T283 WeakPolarHBondContact CD-OG1 3.29Å
255Q92.8Very high94.6Very high134 Ų13448.2 Ų48.263%0.62628%0.275SS*.G310 helixtrans-58.3-31.2-174.4-172.564.333.400113.2L257 S258Q255-L257 PolarHBondContact O-N 3.22Å; Q255-L257 VanDerWaalsContact O-N 3.13Å; Q255-S258 PolarHBondContact NE2-OG 3.14Å; Q255-S258 VanDerWaalsContact O-CB 3.28Å; Q255-S258 WeakPolarHBondContact O-CB 3.26Å; Q255-S258 PolarHBondContact O-N 2.76Å; Q255-S258 PolarHBondContact O-OG 2.54Å
256C93.8Very high94.3Very high48 Ų4856 Ų5632%0.32430%0.301SS..G310 helixtrans-60.8-20.217657.30000113.4M208 P254 W260M208-C256 HydrophobicContact SD-CB 4.37Å; P254-C256 PolarHBondContact O-N 3.13Å; P254-C256 VanDerWaalsContact O-N 3.13Å; C256-W260 VanDerWaalsContact O-CZ3 3.3Å; C256-W260 WeakPolarHBondContact O-CZ3 3.36Å
257L95.4Very high94.2Very high1 Ų154 Ų541%0.00528%0.277CS..G310 helixtrans-95.9-0.9176.1-58.5-170.7000113.8V205 M208 P254 Q255 A259 W260 R261 F275 I282V205-L257 HydrophobicContact CG1-CD2 4.24Å; V205-L257 HydrophobicContact CG2-CD2 4.49Å; M208-L257 HydrophobicContact CB-CD2 4.26Å; M208-L257 HydrophobicContact CG-CD2 4.23Å; P254-L257 HydrophobicContact CG-CD1 4.19Å; P254-L257 HydrophobicContact CG-CG 4.1Å; P254-L257 PolarHBondContact O-N 2.91Å; Q255-L257 PolarHBondContact O-N 3.22Å; Q255-L257 VanDerWaalsContact O-N 3.13Å; L257-A259 PolarHBondContact O-N 3.38Å; L257-W260 HydrophobicContact CD2-CE3 3.91Å; L257-W260 HydrophobicContact CD2-CZ3 3.83Å; L257-W260 PolarHBondContact O-N 2.87Å; L257-W260 VanDerWaalsContact O-N 3.09Å; L257-R261 PolarHBondContact O-N 3.43Å; L257-F275 HydrophobicContact CB-CE2 4.23Å; L257-F275 HydrophobicContact CB-CZ 3.97Å; L257-F275 HydrophobicContact CD1-CE2 4.11Å; L257-F275 HydrophobicContact CD1-CZ 4.23Å; L257-I282 HydrophobicContact CD1-CD1 4.11Å; L257-I282 HydrophobicContact CD2-CD1 4.06Å; L257-I282 HydrophobicContact CG-CD1 4.36Å
258S92.7Very high93.9Very high64 Ų6453.6 Ų53.645%0.44827%0.274SS..Hα-helixtrans-60.2-33.2-17270.70000113.1Q255 W260Q255-S258 PolarHBondContact NE2-OG 3.14Å; Q255-S258 VanDerWaalsContact O-CB 3.28Å; Q255-S258 WeakPolarHBondContact O-CB 3.26Å; Q255-S258 PolarHBondContact O-N 2.76Å; Q255-S258 PolarHBondContact O-OG 2.54Å; S258-W260 PolarHBondContact O-N 3.03Å
259A93.6Very high93.5Very high83 Ų8352.9 Ų52.969%0.68627%0.269SS*.Hα-helixtrans-64.4-27.3-179.800000113.3L257L257-A259 PolarHBondContact O-N 3.38Å
260W95.1Very high93.3Very high44 Ų4451.5 Ų51.517%0.16726%0.262CS..Hα-helixtrans-103.9-12.7-176.1-55.8-61.5000113.8E201 V205 M208 C256 L257 S258 G262 R263 F264 F275E201-W260 HydrophobicContact CB-CG 4.37Å; V205-W260 HydrophobicContact CG2-CB 4.29Å; V205-W260 HydrophobicContact CG2-CD2 3.95Å; V205-W260 HydrophobicContact CG2-CE3 3.7Å; V205-W260 HydrophobicContact CG2-CG 4.21Å; V205-W260 HydrophobicContact CG2-CZ3 4.36Å; M208-W260 HydrophobicContact CE-CH2 3.58Å; M208-W260 HydrophobicContact CE-CZ3 4.06Å; M208-W260 HydrophobicContact CG-CH2 4.2Å; M208-W260 HydrophobicContact CG-CZ3 3.99Å; C256-W260 VanDerWaalsContact O-CZ3 3.3Å; C256-W260 WeakPolarHBondContact O-CZ3 3.36Å; L257-W260 HydrophobicContact CD2-CE3 3.91Å; L257-W260 HydrophobicContact CD2-CZ3 3.83Å; L257-W260 PolarHBondContact O-N 2.87Å; L257-W260 VanDerWaalsContact O-N 3.09Å; S258-W260 PolarHBondContact O-N 3.03Å; W260-G262 PolarHBondContact O-N 2.92Å; W260-R263 WeakPolarHBondContact O-CA 3.31Å; W260-R263 VanDerWaalsContact O-CB 3.32Å; W260-R263 WeakPolarHBondContact O-CB 3.29Å; W260-R263 PolarHBondContact O-N 3.19Å; W260-F264 HydrophobicContact CB-CD2 3.9Å; W260-F264 HydrophobicContact CB-CE2 3.95Å; W260-F264 WeakPolarHBondContact O-CD2 3.49Å; W260-F264 PolarHBondContact O-N 3.26Å; W260-F264 VanDerWaalsContact O-N 3.11Å; W260-F275 HydrophobicContact CB-CE2 4.23Å
261R92.7Very high93.2Very high109 Ų10950.5 Ų50.541%0.41126%0.257SS..Hα-helixtrans-50-52.5-177.3-178.6175178.5-179-1.2112.7L257 R263 F264 D265 F275 Y276L257-R261 PolarHBondContact O-N 3.43Å; R261-R263 PolarHBondContact O-N 3.29Å; R261-F264 PolarHBondContact O-N 3.13Å; R261-F264 VanDerWaalsContact O-N 3.16Å; R261-D265 WeakPolarHBondContact CG-OD2 3.39Å; R261-D265 IonicContact NE-OD2 3.59Å; R261-D265 VanDerWaalsContact O-CG 3.26Å; R261-D265 PolarHBondContact O-N 3.41Å; R261-F275 HydrophobicContact CB-CZ 4.49Å; R261-Y276 PolarHBondContact NE-OH 2.83Å
262G91.3Very high93.2Very high43 Ų4345.9 Ų45.944%0.44324%0.24SC..Hα-helixtrans-63.3-25.2-179.700000114.4W260W260-G262 PolarHBondContact O-N 2.92Å
263R93.6Very high93.4Very high80 Ų8045.9 Ų45.930%0.30224%0.238SC..Hα-helixtrans-73.6-45.1175175.769.9-168.583.92.5111.1E201 W260 R261 E267E201-R263 IonicContact OE1-NE 3.95Å; W260-R263 WeakPolarHBondContact O-CA 3.31Å; W260-R263 VanDerWaalsContact O-CB 3.32Å; W260-R263 WeakPolarHBondContact O-CB 3.29Å; W260-R263 PolarHBondContact O-N 3.19Å; R261-R263 PolarHBondContact O-N 3.29Å; R263-E267 IonicContact CZ-OE1 3.56Å; R263-E267 IonicContact NH1-OE1 3.4Å; R263-E267 PolarHBondContact NH1-OE1 2.96Å; R263-E267 IonicContact NH2-OE1 3.46Å; R263-E267 PolarHBondContact NH2-OE1 3.32Å
264F94.5Very high93.6Very high0 Ų044.8 Ų44.80%023%0.23CC..Hα-helixtrans-78.7-25.7-178.7-78-84000113.5L192 I199 E201 T202 V205 W260 R261 R266 E267 I271 R272 F275L192-F264 HydrophobicContact CD2-CE1 3.98Å; I199-F264 HydrophobicContact CG2-CE1 4.3Å; I199-F264 HydrophobicContact CG2-CZ 4.13Å; E201-F264 HydrophobicContact CB-CE2 4.19Å; T202-F264 HydrophobicContact CG2-CE1 3.97Å; T202-F264 HydrophobicContact CG2-CZ 3.78Å; V205-F264 HydrophobicContact CG2-CE2 3.75Å; V205-F264 HydrophobicContact CG2-CZ 4.16Å; W260-F264 HydrophobicContact CB-CD2 3.9Å; W260-F264 HydrophobicContact CB-CE2 3.95Å; W260-F264 WeakPolarHBondContact O-CD2 3.49Å; W260-F264 PolarHBondContact O-N 3.26Å; W260-F264 VanDerWaalsContact O-N 3.11Å; R261-F264 PolarHBondContact O-N 3.13Å; R261-F264 VanDerWaalsContact O-N 3.16Å; F264-R266 PolarHBondContact O-N 3.11Å; F264-E267 WeakPolarHBondContact O-CB 3.44Å; F264-E267 PolarHBondContact O-N 2.72Å; F264-I271 HydrophobicContact CD1-CG2 4.13Å; F264-I271 HydrophobicContact CE1-CG2 4.18Å; F264-R272 WeakPolarHBondContact O-CG 3.32Å; F264-F275 HydrophobicContact CB-CB 4.01Å; F264-F275 HydrophobicContact CB-CD1 3.77Å; F264-F275 HydrophobicContact CB-CD2 4.12Å; F264-F275 HydrophobicContact CB-CE1 4.25Å; F264-F275 HydrophobicContact CB-CG 3.69Å; F264-F275 HydrophobicContact CD1-CB 3.59Å; F264-F275 HydrophobicContact CD1-CD2 4.04Å; F264-F275 AromaticContact CD1-CG 3.92Å; F264-F275 HydrophobicContact CD1-CG 3.92Å; F264-F275 HydrophobicContact CD2-CB 4.46Å; F264-F275 AromaticContact CD2-CD2 3.39Å; F264-F275 HydrophobicContact CD2-CD2 3.39Å; F264-F275 AromaticContact CD2-CE2 3.64Å; F264-F275 HydrophobicContact CD2-CE2 3.64Å; F264-F275 AromaticContact CD2-CG 3.89Å; F264-F275 HydrophobicContact CD2-CG 3.89Å; F264-F275 HydrophobicContact CD2-CZ 4.31Å; F264-F275 HydrophobicContact CE1-CB 4.16Å; F264-F275 HydrophobicContact CE1-CD2 4.32Å; F264-F275 AromaticContact CE2-CD2 3.73Å; F264-F275 HydrophobicContact CE2-CD2 3.73Å; F264-F275 HydrophobicContact CE2-CE2 4.05Å; F264-F275 HydrophobicContact CG-CB 3.77Å; F264-F275 HydrophobicContact CG-CD1 4.15Å; F264-F275 AromaticContact CG-CD2 3.58Å; F264-F275 HydrophobicContact CG-CD2 3.58Å; F264-F275 HydrophobicContact CG-CE2 4.18Å; F264-F275 AromaticContact CG-CG 3.55Å; F264-F275 HydrophobicContact CG-CG 3.55Å; F264-F275 HydrophobicContact CZ-CD2 4.18Å
265D91.9Very high93.7Very high44 Ų4444.7 Ų44.724%0.23523%0.23CC..Hα-helixtrans-61.6-27175.4-75.5-20.5000112.5R261 R272 Y276R261-D265 WeakPolarHBondContact CG-OD2 3.39Å; R261-D265 IonicContact NE-OD2 3.59Å; R261-D265 VanDerWaalsContact O-CG 3.26Å; R261-D265 PolarHBondContact O-N 3.41Å; D265-R272 WeakPolarHBondContact O-CD 3.31Å; D265-R272 PolarHBondContact O-NH1 2.77Å; D265-R272 VanDerWaalsContact O-NH1 3.17Å; D265-Y276 WeakPolarHBondContact OD1-CE2 3.48Å; D265-Y276 VanDerWaalsContact OD1-CZ 3.31Å; D265-Y276 PolarHBondContact OD1-OH 3.19Å
266R90.1Very high93.9Very high202 Ų20239.5 Ų39.576%0.76221%0.205SC*.THydrogen-bonded Turntrans-86-5.2177.7-61.6176.6-176.8174.31.1114.2F264F264-R266 PolarHBondContact O-N 3.11Å
267E92.9Very high94.1Very high14 Ų1437.5 Ų37.57%0.06519%0.192CC..SBendtrans-83.2158.8179.3-71.6-65.2156.200111.9I199 R263 F264 I271I199-E267 HydrophobicContact CD1-CG 3.9Å; I199-E267 WeakPolarHBondContact CD1-OE1 3.47Å; R263-E267 IonicContact CZ-OE1 3.56Å; R263-E267 IonicContact NH1-OE1 3.4Å; R263-E267 PolarHBondContact NH1-OE1 2.96Å; R263-E267 IonicContact NH2-OE1 3.46Å; R263-E267 PolarHBondContact NH2-OE1 3.32Å; F264-E267 WeakPolarHBondContact O-CB 3.44Å; F264-E267 PolarHBondContact O-N 2.72Å; E267-I271 HydrophobicContact CB-CB 4.04Å; E267-I271 HydrophobicContact CB-CG2 3.93Å; E267-I271 HydrophobicContact CG-CG2 4.11Å
268P91.3Very high94.1Very high2 Ų237.5 Ų37.51%0.01319%0.191CC..  trans-52.4152.3172.5-23.531.1000112.6D67 R68 W71 L270 I271 R272D67-P268 WeakPolarHBondContact OD2-CB 3.4Å; R68-P268 HydrophobicContact CB-CG 4.14Å; R68-P268 HydrophobicContact CG-CG 4.33Å; W71-P268 HydrophobicContact CB-CB 4.12Å; W71-P268 HydrophobicContact CB-CG 3.74Å; W71-P268 HydrophobicContact CD2-CB 4.45Å; W71-P268 HydrophobicContact CD2-CG 4.4Å; W71-P268 HydrophobicContact CG-CB 4.29Å; W71-P268 HydrophobicContact CG-CG 3.85Å; P268-L270 VanDerWaalsContact C-N 3.27Å; P268-L270 PolarHBondContact O-N 3.32Å; P268-L270 VanDerWaalsContact O-N 3.12Å; P268-I271 HydrophobicContact CG-CD1 4.45Å; P268-I271 PolarHBondContact O-N 3.28Å; P268-R272 PolarHBondContact O-N 3.1Å
269P90.9Very high94.3Very high20 Ų2034.4 Ų34.413%0.1317%0.17CC..Hα-helixtrans-49-43.8-175.2-30.236.3000114.1W71 I271 R272 R273W71-P269 HydrophobicContact CZ3-CG 4.47Å; P269-I271 PolarHBondContact O-N 2.84Å; P269-R272 PolarHBondContact O-N 3.2Å; P269-R273 VanDerWaalsContact O-CB 3.31Å; P269-R273 WeakPolarHBondContact O-CB 3.45Å; P269-R273 WeakPolarHBondContact O-CG 3.24Å; P269-R273 PolarHBondContact O-N 3.24Å
270L94.1Very high94.5Very high8 Ų830.5 Ų30.54%0.04214%0.138CC..Hα-helixtrans-57-48.7-179.1175.763000112.3R63 V64 D67 S179 F182 V191 P268 A274R63-L270 HydrophobicContact CB-CD2 4.27Å; R63-L270 HydrophobicContact CG-CD2 3.97Å; V64-L270 HydrophobicContact CG2-CD2 3.95Å; D67-L270 HydrophobicContact CB-CB 4.12Å; D67-L270 HydrophobicContact CB-CD2 4.14Å; D67-L270 VanDerWaalsContact OD2-CB 3.27Å; D67-L270 WeakPolarHBondContact OD2-CB 3.34Å; D67-L270 PolarHBondContact OD2-N 2.94Å; S179-L270 VanDerWaalsContact O-CD1 3.29Å; S179-L270 WeakPolarHBondContact O-CD1 3.43Å; F182-L270 HydrophobicContact CZ-CD1 3.88Å; V191-L270 HydrophobicContact CG1-CG 4.16Å; V191-L270 HydrophobicContact CG2-CD1 4.19Å; V191-L270 HydrophobicContact CG2-CG 4.48Å; P268-L270 VanDerWaalsContact C-N 3.27Å; P268-L270 PolarHBondContact O-N 3.32Å; P268-L270 VanDerWaalsContact O-N 3.12Å; L270-A274 WeakPolarHBondContact O-CB 3.38Å; L270-A274 PolarHBondContact O-N 2.91Å; L270-A274 VanDerWaalsContact O-N 3.09Å
271I95.7Very high94.5Very high1 Ų128.8 Ų28.81%0.00513%0.131CC..Hα-helixtrans-72.1-44.4-176.9-59.6174.9000110.1V64 V191 C195 I199 F264 E267 P268 P269 R273 A274 F275V64-I271 HydrophobicContact CG1-CD1 4.32Å; V191-I271 HydrophobicContact CG1-CG1 4.44Å; C195-I271 VanDerWaalsContact SG-CD1 3.53Å; I199-I271 HydrophobicContact CD1-CD1 4.13Å; I199-I271 HydrophobicContact CD1-CG2 3.87Å; F264-I271 HydrophobicContact CD1-CG2 4.13Å; F264-I271 HydrophobicContact CE1-CG2 4.18Å; E267-I271 HydrophobicContact CB-CB 4.04Å; E267-I271 HydrophobicContact CB-CG2 3.93Å; E267-I271 HydrophobicContact CG-CG2 4.11Å; P268-I271 HydrophobicContact CG-CD1 4.45Å; P268-I271 PolarHBondContact O-N 3.28Å; P269-I271 PolarHBondContact O-N 2.84Å; I271-R273 PolarHBondContact O-N 2.84Å; I271-A274 PolarHBondContact O-N 3.38Å; I271-F275 PolarHBondContact O-N 3.25Å
272R95.3Very high94.6Very high28 Ų2824 Ų2411%0.10611%0.113CC..Hα-helixtrans-58.8-47.6177.4-177.3171.168.9-151.56111.3F264 D265 P268 P269 A274 F275 Y276 E365F264-R272 WeakPolarHBondContact O-CG 3.32Å; D265-R272 WeakPolarHBondContact O-CD 3.31Å; D265-R272 PolarHBondContact O-NH1 2.77Å; D265-R272 VanDerWaalsContact O-NH1 3.17Å; P268-R272 PolarHBondContact O-N 3.1Å; P269-R272 PolarHBondContact O-N 3.2Å; R272-A274 VanDerWaalsContact C-N 3.34Å; R272-A274 PolarHBondContact O-N 3.39Å; R272-F275 WeakPolarHBondContact O-CB 3.48Å; R272-F275 PolarHBondContact O-N 3.23Å; R272-Y276 HydrophobicContact CG-CD2 3.98Å; R272-Y276 HydrophobicContact CG-CE2 3.82Å; R272-Y276 VanDerWaalsContact O-CD2 3.24Å; R272-Y276 WeakPolarHBondContact O-CD2 3.23Å; R272-Y276 PolarHBondContact O-N 3.46Å; R272-Y276 VanDerWaalsContact O-N 3.16Å; R272-E365 IonicContact NH2-OE1 3.87Å
273R95.7Very high94.9Very high13 Ų1321.9 Ų21.95%0.0499%0.092CC..Hα-helixtrans-68-33.3179.9-62.5-57.8-177.8-147.1-4111.8D180 F182 P269 I271 Y276 A277 A309 T312 E365D180-R273 WeakPolarHBondContact O-CB 3.41Å; D180-R273 WeakPolarHBondContact O-CG 3.39Å; F182-R273 HydrophobicContact CD2-CB 4.31Å; F182-R273 HydrophobicContact CE2-CB 3.97Å; P269-R273 VanDerWaalsContact O-CB 3.31Å; P269-R273 WeakPolarHBondContact O-CB 3.45Å; P269-R273 WeakPolarHBondContact O-CG 3.24Å; P269-R273 PolarHBondContact O-N 3.24Å; I271-R273 PolarHBondContact O-N 2.84Å; R273-Y276 PolarHBondContact O-N 3.17Å; R273-A277 WeakPolarHBondContact O-CB 3.46Å; R273-A277 PolarHBondContact O-N 3.32Å; R273-A309 HydrophobicContact CG-CB 4.29Å; R273-T312 PolarHBondContact NH2-OG1 3.34Å; R273-E365 IonicContact CZ-OE1 2.84Å; R273-E365 IonicContact NH1-OE1 3Å; R273-E365 PolarHBondContact NH1-OE1 3.09Å; R273-E365 IonicContact NH1-OE2 2.75Å; R273-E365 IonicContact NH2-OE1 3.92Å; R273-E365 PolarHBondContact NH2-OE1 3.27Å
274A97.1Very high94.9Very high0 Ų018.4 Ų18.40%08%0.08CC..Hα-helixtrans-62.6-42.4172.100000112.3F182 V191 L192 L270 I271 R272 A277 V278F182-A274 HydrophobicContact CE1-CB 4.35Å; F182-A274 HydrophobicContact CE2-CB 3.91Å; F182-A274 HydrophobicContact CZ-CB 3.73Å; V191-A274 HydrophobicContact CB-CB 3.83Å; V191-A274 HydrophobicContact CG1-CB 3.63Å; L192-A274 HydrophobicContact CD2-CB 3.99Å; L192-A274 HydrophobicContact CG-CB 4.29Å; L270-A274 WeakPolarHBondContact O-CB 3.38Å; L270-A274 PolarHBondContact O-N 2.91Å; L270-A274 VanDerWaalsContact O-N 3.09Å; I271-A274 PolarHBondContact O-N 3.38Å; R272-A274 VanDerWaalsContact C-N 3.34Å; R272-A274 PolarHBondContact O-N 3.39Å; A274-A277 PolarHBondContact O-N 2.91Å; A274-V278 WeakPolarHBondContact O-CG2 3.3Å; A274-V278 PolarHBondContact O-N 2.84Å
275F97.3Very high94.8Very high1 Ų120 Ų200%0.0049%0.088CC..Hα-helixtrans-58.8-48.6174.3167.5-97.7000112.1V205 L257 W260 R261 F264 I271 R272 A277 V278 G279V205-F275 HydrophobicContact CG1-CD2 4.09Å; V205-F275 HydrophobicContact CG1-CE2 4.35Å; V205-F275 HydrophobicContact CG2-CD2 4.04Å; V205-F275 HydrophobicContact CG2-CE2 3.89Å; L257-F275 HydrophobicContact CB-CE2 4.23Å; L257-F275 HydrophobicContact CB-CZ 3.97Å; L257-F275 HydrophobicContact CD1-CE2 4.11Å; L257-F275 HydrophobicContact CD1-CZ 4.23Å; W260-F275 HydrophobicContact CB-CE2 4.23Å; R261-F275 HydrophobicContact CB-CZ 4.49Å; F264-F275 HydrophobicContact CB-CB 4.01Å; F264-F275 HydrophobicContact CB-CD1 3.77Å; F264-F275 HydrophobicContact CB-CD2 4.12Å; F264-F275 HydrophobicContact CB-CE1 4.25Å; F264-F275 HydrophobicContact CB-CG 3.69Å; F264-F275 HydrophobicContact CD1-CB 3.59Å; F264-F275 HydrophobicContact CD1-CD2 4.04Å; F264-F275 AromaticContact CD1-CG 3.92Å; F264-F275 HydrophobicContact CD1-CG 3.92Å; F264-F275 HydrophobicContact CD2-CB 4.46Å; F264-F275 AromaticContact CD2-CD2 3.39Å; F264-F275 HydrophobicContact CD2-CD2 3.39Å; F264-F275 AromaticContact CD2-CE2 3.64Å; F264-F275 HydrophobicContact CD2-CE2 3.64Å; F264-F275 AromaticContact CD2-CG 3.89Å; F264-F275 HydrophobicContact CD2-CG 3.89Å; F264-F275 HydrophobicContact CD2-CZ 4.31Å; F264-F275 HydrophobicContact CE1-CB 4.16Å; F264-F275 HydrophobicContact CE1-CD2 4.32Å; F264-F275 AromaticContact CE2-CD2 3.73Å; F264-F275 HydrophobicContact CE2-CD2 3.73Å; F264-F275 HydrophobicContact CE2-CE2 4.05Å; F264-F275 HydrophobicContact CG-CB 3.77Å; F264-F275 HydrophobicContact CG-CD1 4.15Å; F264-F275 AromaticContact CG-CD2 3.58Å; F264-F275 HydrophobicContact CG-CD2 3.58Å; F264-F275 HydrophobicContact CG-CE2 4.18Å; F264-F275 AromaticContact CG-CG 3.55Å; F264-F275 HydrophobicContact CG-CG 3.55Å; F264-F275 HydrophobicContact CZ-CD2 4.18Å; I271-F275 PolarHBondContact O-N 3.25Å; R272-F275 WeakPolarHBondContact O-CB 3.48Å; R272-F275 PolarHBondContact O-N 3.23Å; F275-A277 VanDerWaalsContact C-N 3.34Å; F275-A277 PolarHBondContact O-N 2.85Å; F275-V278 PolarHBondContact O-N 3.42Å; F275-G279 PolarHBondContact O-N 3.38Å
276Y97Very high95Very high25 Ų2520.6 Ų20.610%0.0989%0.089CC..Hα-helixtrans-66.8-34.9178-79-72.8000112.8P253 R261 D265 R272 R273 G279 N280P253-Y276 HydrophobicContact CB-CD1 4.43Å; P253-Y276 HydrophobicContact CB-CE1 4.45Å; P253-Y276 HydrophobicContact CG-CD1 4.28Å; P253-Y276 HydrophobicContact CG-CE1 3.85Å; R261-Y276 PolarHBondContact NE-OH 2.83Å; D265-Y276 WeakPolarHBondContact OD1-CE2 3.48Å; D265-Y276 VanDerWaalsContact OD1-CZ 3.31Å; D265-Y276 PolarHBondContact OD1-OH 3.19Å; R272-Y276 HydrophobicContact CG-CD2 3.98Å; R272-Y276 HydrophobicContact CG-CE2 3.82Å; R272-Y276 VanDerWaalsContact O-CD2 3.24Å; R272-Y276 WeakPolarHBondContact O-CD2 3.23Å; R272-Y276 PolarHBondContact O-N 3.46Å; R272-Y276 VanDerWaalsContact O-N 3.16Å; R273-Y276 PolarHBondContact O-N 3.17Å; Y276-G279 PolarHBondContact O-N 2.95Å; Y276-N280 PolarHBondContact O-N 2.93Å; Y276-N280 PolarHBondContact O-ND2 3.12Å
277A97Very high95.2Very high6 Ų611 Ų115%0.055%0.053CC..Hα-helixtrans-61.6-49.9173.400000111.2F182 A188 R273 A274 F275 G279 N280 Y281F182-A277 HydrophobicContact CB-CB 3.69Å; F182-A277 HydrophobicContact CD2-CB 4.05Å; F182-A277 HydrophobicContact CG-CB 4.03Å; A188-A277 HydrophobicContact CB-CB 3.82Å; R273-A277 WeakPolarHBondContact O-CB 3.46Å; R273-A277 PolarHBondContact O-N 3.32Å; A274-A277 PolarHBondContact O-N 2.91Å; F275-A277 VanDerWaalsContact C-N 3.34Å; F275-A277 PolarHBondContact O-N 2.85Å; A277-G279 VanDerWaalsContact C-N 3.25Å; A277-G279 PolarHBondContact O-N 2.81Å; A277-N280 WeakPolarHBondContact O-CB 3.4Å; A277-N280 PolarHBondContact O-N 2.98Å; A277-Y281 WeakPolarHBondContact O-CD2 3.34Å; A277-Y281 PolarHBondContact O-N 3.47Å
278V96.9Very high95.2Very high0 Ų010.8 Ų10.80%05%0.052CC..Hα-helixtrans-56.6-41.1173.5166.40000111.4L185 A188 L192 V205 L209 A274 F275 N280 Y281 I282L185-V278 HydrophobicContact CD1-CG2 4.14Å; A188-V278 HydrophobicContact CB-CG2 3.99Å; L192-V278 HydrophobicContact CD1-CB 4.25Å; L192-V278 HydrophobicContact CD1-CG2 3.77Å; V205-V278 HydrophobicContact CG1-CG1 3.88Å; L209-V278 HydrophobicContact CD1-CG1 4.45Å; L209-V278 HydrophobicContact CD2-CG1 4.07Å; L209-V278 HydrophobicContact CG-CG1 4.25Å; A274-V278 WeakPolarHBondContact O-CG2 3.3Å; A274-V278 PolarHBondContact O-N 2.84Å; F275-V278 PolarHBondContact O-N 3.42Å; V278-N280 VanDerWaalsContact C-N 3.32Å; V278-N280 PolarHBondContact O-N 3.01Å; V278-Y281 PolarHBondContact O-N 3.4Å; V278-Y281 VanDerWaalsContact O-N 3.14Å; V278-I282 HydrophobicContact CG1-CD1 3.93Å; V278-I282 WeakPolarHBondContact O-CG1 3.4Å; V278-I282 PolarHBondContact O-N 3.36Å
279G96.8Very high95.2Very high0 Ų015.4 Ų15.40%07%0.073CC..Hα-helixtrans-55.4-43.7172.800000113.3F275 Y276 A277 Y281 I282 T283F275-G279 PolarHBondContact O-N 3.38Å; Y276-G279 PolarHBondContact O-N 2.95Å; A277-G279 VanDerWaalsContact C-N 3.25Å; A277-G279 PolarHBondContact O-N 2.81Å; G279-Y281 VanDerWaalsContact C-N 3.35Å; G279-Y281 PolarHBondContact O-N 2.97Å; G279-I282 PolarHBondContact O-N 3.4Å; G279-T283 PolarHBondContact O-N 3.14Å; G279-T283 PolarHBondContact O-OG1 3.05Å
280N96.8Very high95.5Very high1 Ų116.7 Ų16.71%0.0058%0.078CC..Hα-helixtrans-62.3-39176.1-68.2-35.1000112.4S252 Y276 A277 V278 T283 A284 F301 T305S252-N280 PolarHBondContact OG-OD1 2.84Å; Y276-N280 PolarHBondContact O-N 2.93Å; Y276-N280 PolarHBondContact O-ND2 3.12Å; A277-N280 WeakPolarHBondContact O-CB 3.4Å; A277-N280 PolarHBondContact O-N 2.98Å; V278-N280 VanDerWaalsContact C-N 3.32Å; V278-N280 PolarHBondContact O-N 3.01Å; N280-T283 PolarHBondContact O-N 2.85Å; N280-A284 WeakPolarHBondContact O-CB 3.28Å; N280-A284 PolarHBondContact O-N 3.18Å; N280-F301 HydrophobicContact CB-CD2 4.43Å; N280-F301 HydrophobicContact CB-CE2 4.11Å; N280-F301 VanDerWaalsContact O-CE2 3.3Å; N280-F301 WeakPolarHBondContact O-CE2 3.38Å; N280-T305 WeakPolarHBondContact ND2-CG2 3.13Å; N280-T305 PolarHBondContact ND2-OG1 3.28Å
281Y95.7Very high95.5Very high7 Ų716.3 Ų16.33%0.0278%0.076CC..Hα-helixtrans-69.5-36.8177-71.9-84.3000112.5S184 L185 A277 V278 G279 A284 E285 D334 L335S184-Y281 VanDerWaalsContact C-OH 3.25Å; S184-Y281 VanDerWaalsContact CA-OH 3.29Å; S184-Y281 WeakPolarHBondContact CA-OH 3.33Å; S184-Y281 PolarHBondContact N-OH 2.82Å; L185-Y281 HydrophobicContact CB-CD1 3.85Å; L185-Y281 HydrophobicContact CB-CD2 3.93Å; L185-Y281 HydrophobicContact CB-CE1 3.8Å; L185-Y281 HydrophobicContact CB-CE2 3.93Å; L185-Y281 HydrophobicContact CB-CG 3.93Å; L185-Y281 HydrophobicContact CD1-CD2 3.68Å; L185-Y281 HydrophobicContact CD1-CE2 4.38Å; L185-Y281 HydrophobicContact CD1-CG 3.81Å; L185-Y281 HydrophobicContact CD2-CD1 4.5Å; L185-Y281 HydrophobicContact CD2-CG 4.4Å; L185-Y281 HydrophobicContact CG-CD2 4.36Å; L185-Y281 HydrophobicContact CG-CG 4.27Å; L185-Y281 VanDerWaalsContact N-CZ 3.31Å; L185-Y281 PolarHBondContact N-OH 3.09Å; A277-Y281 WeakPolarHBondContact O-CD2 3.34Å; A277-Y281 PolarHBondContact O-N 3.47Å; V278-Y281 PolarHBondContact O-N 3.4Å; V278-Y281 VanDerWaalsContact O-N 3.14Å; G279-Y281 VanDerWaalsContact C-N 3.35Å; G279-Y281 PolarHBondContact O-N 2.97Å; Y281-A284 WeakPolarHBondContact O-CB 3.32Å; Y281-A284 PolarHBondContact O-N 3.48Å; Y281-E285 PolarHBondContact O-N 2.98Å; Y281-D334 WeakPolarHBondContact CE1-O 3.48Å; Y281-D334 WeakPolarHBondContact CE1-OD1 3.49Å; Y281-D334 PolarHBondContact OH-OD1 2.97Å; Y281-D334 PolarHBondContact OH-OD2 3.08Å; Y281-L335 HydrophobicContact CD1-CD1 3.66Å; Y281-L335 HydrophobicContact CE1-CB 4.06Å; Y281-L335 HydrophobicContact CE1-CD1 3.78Å; Y281-L335 HydrophobicContact CG-CD1 4.05Å
282I95.4Very high95.4Very high8 Ų818.4 Ų18.44%0.0419%0.091CC..Hα-helixtrans-64.1-44.3172.8-66167.8000110.3M208 L209 P254 L257 V278 G279 A284 E285 Q286M208-I282 HydrophobicContact CB-CD1 3.9Å; L209-I282 HydrophobicContact CD2-CD1 4.37Å; L209-I282 HydrophobicContact CD2-CG1 3.85Å; L209-I282 HydrophobicContact CG-CG1 4.48Å; P254-I282 HydrophobicContact CB-CG2 4.41Å; P254-I282 HydrophobicContact CG-CB 4.03Å; P254-I282 HydrophobicContact CG-CG2 3.69Å; L257-I282 HydrophobicContact CD1-CD1 4.11Å; L257-I282 HydrophobicContact CD2-CD1 4.06Å; L257-I282 HydrophobicContact CG-CD1 4.36Å; V278-I282 HydrophobicContact CG1-CD1 3.93Å; V278-I282 WeakPolarHBondContact O-CG1 3.4Å; V278-I282 PolarHBondContact O-N 3.36Å; G279-I282 PolarHBondContact O-N 3.4Å; I282-A284 VanDerWaalsContact C-N 3.32Å; I282-A284 PolarHBondContact O-N 3.28Å; I282-E285 PolarHBondContact O-N 3.17Å; I282-Q286 PolarHBondContact O-N 3.17Å
283T95.8Very high95.4Very high0 Ų023.2 Ų23.20%011%0.112CC..Hα-helixtrans-63-37.9174.9-62.80000111.6R251 P254 G279 N280 E285 Q286 I287 V298 F301R251-T283 PolarHBondContact O-OG1 3.27Å; P254-T283 VanDerWaalsContact CD-OG1 3.29Å; P254-T283 WeakPolarHBondContact CD-OG1 3.29Å; G279-T283 PolarHBondContact O-N 3.14Å; G279-T283 PolarHBondContact O-OG1 3.05Å; N280-T283 PolarHBondContact O-N 2.85Å; T283-E285 VanDerWaalsContact C-N 3.28Å; T283-E285 PolarHBondContact O-N 3.06Å; T283-Q286 PolarHBondContact O-N 3.13Å; T283-I287 HydrophobicContact CG2-CD1 3.94Å; T283-I287 HydrophobicContact CG2-CG1 4.29Å; T283-I287 VanDerWaalsContact O-CG1 3.25Å; T283-I287 WeakPolarHBondContact O-CG1 3.43Å; T283-I287 PolarHBondContact O-N 3.16Å; T283-V298 HydrophobicContact CG2-CG1 4.16Å; T283-F301 HydrophobicContact CG2-CD2 4.12Å; T283-F301 HydrophobicContact CG2-CE2 3.97Å
284A94.9Very high95.4Very high6 Ų623.5 Ų23.55%0.0512%0.116CC..Hα-helixtrans-58.4-39.7176.600000112.5N280 Y281 I282 I287 N288 F301 L335 L336N280-A284 WeakPolarHBondContact O-CB 3.28Å; N280-A284 PolarHBondContact O-N 3.18Å; Y281-A284 WeakPolarHBondContact O-CB 3.32Å; Y281-A284 PolarHBondContact O-N 3.48Å; I282-A284 VanDerWaalsContact C-N 3.32Å; I282-A284 PolarHBondContact O-N 3.28Å; A284-I287 WeakPolarHBondContact O-CB 3.48Å; A284-I287 PolarHBondContact O-N 3.21Å; A284-N288 PolarHBondContact O-N 3.26Å; A284-F301 HydrophobicContact CB-CZ 4.08Å; A284-L335 HydrophobicContact CB-CD1 3.81Å; A284-L336 HydrophobicContact CB-CB 3.98Å
285E92.9Very high95.5Very high34 Ų3424 Ų2416%0.15912%0.12CC..Hα-helixtrans-68.9-41.8175.6179.855.6-15600112.3P210 L213 Y281 I282 T283 I287 N288 Q289P210-E285 HydrophobicContact CB-CB 4.44Å; P210-E285 HydrophobicContact CB-CG 3.82Å; P210-E285 HydrophobicContact CG-CB 3.87Å; P210-E285 HydrophobicContact CG-CG 3.79Å; L213-E285 HydrophobicContact CD2-CB 3.94Å; Y281-E285 PolarHBondContact O-N 2.98Å; I282-E285 PolarHBondContact O-N 3.17Å; T283-E285 VanDerWaalsContact C-N 3.28Å; T283-E285 PolarHBondContact O-N 3.06Å; E285-I287 VanDerWaalsContact C-N 3.26Å; E285-I287 PolarHBondContact O-N 3.21Å; E285-N288 WeakPolarHBondContact O-CB 3.44Å; E285-N288 PolarHBondContact O-N 3.19Å; E285-N288 VanDerWaalsContact O-N 3.14Å; E285-Q289 WeakPolarHBondContact O-CG 3.48Å; E285-Q289 PolarHBondContact O-N 3.09Å; E285-Q289 PolarHBondContact OE1-NE2 3.29Å
286Q94.4Very high95.5Very high57 Ų5724 Ų2427%0.26612%0.12SC..Hα-helixtrans-60.3-39.6173.9-67.2174.7-8.800111.4L250 I282 T283 Q289 E290L250-Q286 HydrophobicContact CD1-CB 3.94Å; I282-Q286 PolarHBondContact O-N 3.17Å; T283-Q286 PolarHBondContact O-N 3.13Å; Q286-Q289 PolarHBondContact O-N 3.03Å; Q286-E290 WeakPolarHBondContact O-CG 3.3Å; Q286-E290 PolarHBondContact O-N 3.01Å; Q286-E290 VanDerWaalsContact O-N 3.07Å
287I95.5Very high95.6Very high0 Ų022.8 Ų22.80%012%0.115CC..Hα-helixtrans-59.3-49.1173.3-69.2163.9000110.1V223 L250 T283 A284 E285 Q289 E290 A291 V296 V298 F301 L336V223-I287 HydrophobicContact CB-CG2 4.21Å; V223-I287 HydrophobicContact CG1-CD1 4.33Å; V223-I287 HydrophobicContact CG1-CG2 3.71Å; V223-I287 HydrophobicContact CG2-CG2 3.4Å; V223-I287 VanDerWaalsContact CG2-CG2 3.4Å; L250-I287 HydrophobicContact CD1-CB 4.4Å; L250-I287 HydrophobicContact CD1-CG1 3.73Å; T283-I287 HydrophobicContact CG2-CD1 3.94Å; T283-I287 HydrophobicContact CG2-CG1 4.29Å; T283-I287 VanDerWaalsContact O-CG1 3.25Å; T283-I287 WeakPolarHBondContact O-CG1 3.43Å; T283-I287 PolarHBondContact O-N 3.16Å; A284-I287 WeakPolarHBondContact O-CB 3.48Å; A284-I287 PolarHBondContact O-N 3.21Å; E285-I287 VanDerWaalsContact C-N 3.26Å; E285-I287 PolarHBondContact O-N 3.21Å; I287-Q289 VanDerWaalsContact C-N 3.29Å; I287-Q289 PolarHBondContact O-N 2.89Å; I287-E290 PolarHBondContact O-N 3.27Å; I287-A291 HydrophobicContact CG2-CB 4.47Å; I287-A291 WeakPolarHBondContact O-CB 3.2Å; I287-A291 PolarHBondContact O-N 3.16Å; I287-V296 HydrophobicContact CG1-CG1 4.25Å; I287-V298 HydrophobicContact CD1-CG1 4.4Å; I287-V298 HydrophobicContact CD1-CG2 3.7Å; I287-V298 HydrophobicContact CG1-CG2 3.93Å; I287-F301 HydrophobicContact CD1-CE1 4.5Å; I287-F301 HydrophobicContact CD1-CE2 4.09Å; I287-F301 HydrophobicContact CD1-CZ 4.06Å; I287-L336 HydrophobicContact CB-CD1 4.48Å; I287-L336 HydrophobicContact CD1-CD2 4.37Å; I287-L336 HydrophobicContact CG2-CD1 3.95Å; I287-L336 HydrophobicContact CG2-CD2 3.81Å
288N92.4Very high95.6Very high9 Ų922.5 Ų22.55%0.04811%0.113CC..Hα-helixtrans-57.1-41.2179.2-90.7-27.8000113D214 A284 E285 L336D214-N288 PolarHBondContact O-ND2 3.33Å; A284-N288 PolarHBondContact O-N 3.26Å; E285-N288 WeakPolarHBondContact O-CB 3.44Å; E285-N288 PolarHBondContact O-N 3.19Å; E285-N288 VanDerWaalsContact O-N 3.14Å; N288-L336 WeakPolarHBondContact OD1-CD1 3.46Å
289Q92.3Very high95.7Very high99 Ų9923.5 Ų23.546%0.46312%0.118SC..Hα-helixtrans-67.7-44.8180-68.5171.812.200111.7E285 Q286 I287 S292E285-Q289 WeakPolarHBondContact O-CG 3.48Å; E285-Q289 PolarHBondContact O-N 3.09Å; E285-Q289 PolarHBondContact OE1-NE2 3.29Å; Q286-Q289 PolarHBondContact O-N 3.03Å; I287-Q289 VanDerWaalsContact C-N 3.29Å; I287-Q289 PolarHBondContact O-N 2.89Å; Q289-S292 PolarHBondContact O-OG 3.5Å
290E95.7Very high95.6Very high47 Ų4725.3 Ų25.322%0.2213%0.125CC..Hα-helixtrans-78.9-35.1-176.5-66.8-5712400112.9T248 Q286 I287 S292 K293 S294 V296T248-E290 HydrophobicContact CG2-CB 4.12Å; T248-E290 HydrophobicContact CG2-CG 3.94Å; T248-E290 PolarHBondContact OG1-OE2 3Å; Q286-E290 WeakPolarHBondContact O-CG 3.3Å; Q286-E290 PolarHBondContact O-N 3.01Å; Q286-E290 VanDerWaalsContact O-N 3.07Å; I287-E290 PolarHBondContact O-N 3.27Å; E290-S292 PolarHBondContact O-N 3.36Å; E290-K293 WeakPolarHBondContact O-CB 3.5Å; E290-K293 PolarHBondContact O-N 3.14Å; E290-K293 IonicContact OE1-NZ 2.69Å; E290-K293 PolarHBondContact OE1-NZ 3.41Å; E290-K293 IonicContact OE2-NZ 3.72Å; E290-S294 PolarHBondContact O-N 2.87Å; E290-V296 HydrophobicContact CB-CG2 3.9Å
291A95.2Very high95.6Very high0 Ų025.3 Ų25.30%013%0.125CC..THydrogen-bonded Turntrans-73.12.417900000114P219 D220 F221 V223 I287 S294 V296P219-A291 HydrophobicContact CB-CB 3.71Å; D220-A291 PolarHBondContact N-O 3.1Å; F221-A291 WeakPolarHBondContact CB-O 3.39Å; F221-A291 WeakPolarHBondContact CD2-O 3.15Å; F221-A291 PolarHBondContact N-O 3.19Å; V223-A291 HydrophobicContact CG2-CB 4.07Å; I287-A291 HydrophobicContact CG2-CB 4.47Å; I287-A291 WeakPolarHBondContact O-CB 3.2Å; I287-A291 PolarHBondContact O-N 3.16Å; A291-S294 WeakPolarHBondContact CA-O 3.46Å; A291-V296 HydrophobicContact CB-CG2 3.71Å
292S92.9Very high95.7Very high46 Ų4625.2 Ų25.232%0.32212%0.124SC..THydrogen-bonded Turntrans-84.2-12.9164.168.60000113.1Q289 E290Q289-S292 PolarHBondContact O-OG 3.5Å; E290-S292 PolarHBondContact O-N 3.36Å
293K95.4Very high95.8Very high128 Ų12824.9 Ų24.956%0.55712%0.122SC*.THydrogen-bonded Turntrans-115.8-40.3-171.1-51.8170.1-164.6160.90112.5F221 E290F221-K293 VanDerWaalsContact CE2-C 3.43Å; F221-K293 WeakPolarHBondContact CE2-O 3.37Å; E290-K293 WeakPolarHBondContact O-CB 3.5Å; E290-K293 PolarHBondContact O-N 3.14Å; E290-K293 IonicContact OE1-NZ 2.69Å; E290-K293 PolarHBondContact OE1-NZ 3.41Å; E290-K293 IonicContact OE2-NZ 3.72Å
294S96.6Very high95.8Very high19 Ų1925.4 Ų25.413%0.13313%0.126CC..SBendtrans-156.5164.5-174.258.60000111.1F221 T248 E290 A291F221-S294 VanDerWaalsContact CB-O 3.23Å; F221-S294 WeakPolarHBondContact CB-O 3.23Å; F221-S294 VanDerWaalsContact CG-C 3.5Å; T248-S294 PolarHBondContact OG1-OG 2.72Å; E290-S294 PolarHBondContact O-N 2.87Å; A291-S294 WeakPolarHBondContact CA-O 3.46Å
295P97.8Very high95.8Very high12 Ų1226.2 Ų26.28%0.07813%0.131CC..  trans-55.2147.9168.5-22.633.8000111.3F221 P222 A247 T248 L417F221-P295 HydrophobicContact CD1-CG 4.13Å; P222-P295 HydrophobicContact CG-CB 4.31Å; P222-P295 WeakPolarHBondContact O-CA 3.32Å; A247-P295 CarbonylContact C-O 3.55Å; A247-P295 WeakPolarHBondContact CA-O 3.41Å; A247-P295 HydrophobicContact CB-CB 4.03Å; A247-P295 WeakPolarHBondContact CB-O 3.3Å; T248-P295 PolarHBondContact N-O 3.05Å; P295-L417 HydrophobicContact CB-CD1 4.2Å; P295-L417 HydrophobicContact CG-CD1 4.17Å; P295-L417 HydrophobicContact CG-CD2 3.86Å
296V98.3Very high96Very high0 Ų024.6 Ų24.60%012%0.123CC..EExtended strand (participates in β ladder)trans-118.8126.4-178.6-178.70000110.2P222 V223 I224 T248 L250 I287 E290 A291 V298P222-V296 PolarHBondContact O-N 2.77Å; V223-V296 WeakPolarHBondContact CA-O 3.15Å; V223-V296 HydrophobicContact CG2-CB 4.49Å; I224-V296 PolarHBondContact N-O 3.42Å; T248-V296 CarbonylContact O-C 3.43Å; T248-V296 WeakPolarHBondContact O-CA 3.23Å; L250-V296 HydrophobicContact CD1-CG1 3.8Å; L250-V296 HydrophobicContact CG-CG1 4.07Å; I287-V296 HydrophobicContact CG1-CG1 4.25Å; E290-V296 HydrophobicContact CB-CG2 3.9Å; A291-V296 HydrophobicContact CB-CG2 3.71Å; V296-V298 HydrophobicContact CG1-CG2 3.93Å
297I98.5Very high96.1Very high0 Ų021.9 Ų21.90%011%0.111CC..EExtended strand (participates in β ladder)trans-99.8131.1169.8-53.4-63.9000107.9I224 I226 T238 L241 L245 A247 T248 L249 L250I224-I297 HydrophobicContact CB-CD1 4Å; I224-I297 HydrophobicContact CD1-CD1 4.21Å; I224-I297 HydrophobicContact CG2-CD1 4.5Å; I224-I297 CarbonylContact O-C 3.6Å; I224-I297 WeakPolarHBondContact O-CA 3.37Å; I226-I297 HydrophobicContact CG1-CG2 4.06Å; T238-I297 HydrophobicContact CG2-CG2 3.93Å; L241-I297 HydrophobicContact CB-CD1 4.07Å; L241-I297 HydrophobicContact CB-CG1 4.22Å; L241-I297 HydrophobicContact CD1-CD1 4.39Å; L245-I297 HydrophobicContact CD1-CD1 4.29Å; A247-I297 HydrophobicContact CB-CG1 3.85Å; T248-I297 PolarHBondContact O-N 2.68Å; L249-I297 CarbonylContact C-O 3.59Å; L249-I297 WeakPolarHBondContact CA-O 3.38Å; L249-I297 HydrophobicContact CD1-CB 4.03Å; L249-I297 HydrophobicContact CD1-CG2 3.83Å; L250-I297 PolarHBondContact N-O 2.76Å
298V98.1Very high96Very high0 Ų022.5 Ų22.50%011%0.113CC..EExtended strand (participates in β ladder)trans-121.4118.3180-165.40000109.5V223 I224 V225 I226 L250 T283 I287 V296 R300 F301V223-V298 HydrophobicContact CG1-CG2 3.97Å; I224-V298 PolarHBondContact O-N 3.25Å; V225-V298 WeakPolarHBondContact CA-O 3.32Å; V225-V298 HydrophobicContact CG2-CB 4.16Å; V225-V298 HydrophobicContact CG2-CG2 4.41Å; I226-V298 PolarHBondContact N-O 3.5Å; L250-V298 WeakPolarHBondContact O-CA 3.3Å; T283-V298 HydrophobicContact CG2-CG1 4.16Å; I287-V298 HydrophobicContact CD1-CG1 4.4Å; I287-V298 HydrophobicContact CD1-CG2 3.7Å; I287-V298 HydrophobicContact CG1-CG2 3.93Å; V296-V298 HydrophobicContact CG1-CG2 3.93Å; V298-R300 WeakPolarHBondContact CG1-O 3.48Å; V298-R300 PolarHBondContact O-N 3.41Å; V298-F301 HydrophobicContact CG1-CB 4.43Å
299D97.3Very high96.1Very high20 Ų2022.1 Ų22.111%0.10711%0.111CC..EExtended strand (participates in β ladder)trans-81.6106.2171.1-173.22.3000109.3T238 L250 R251 S252T238-D299 HydrophobicContact CG2-CB 4.19Å; L250-D299 PolarHBondContact O-N 3.09Å; R251-D299 HydrophobicContact CG-CB 4.31Å; S252-D299 PolarHBondContact N-O 3.41Å
300R96.3Very high96.3Very high39 Ų3917.4 Ų17.415%0.1479%0.089CC..SBendtrans61.3146.6-171.4-56.4179.9174.6-79.29.7114.2I226 E227 G228 D230 S252 V298 S304I226-R300 PolarHBondContact O-N 2.8Å; E227-R300 WeakPolarHBondContact OE1-CA 3.17Å; G228-R300 PolarHBondContact O-NH1 2.84Å; G228-R300 PolarHBondContact O-NH2 3.48Å; G228-R300 VanDerWaalsContact O-NH2 3.12Å; D230-R300 IonicContact OD1-CZ 2.84Å; D230-R300 IonicContact OD1-NH2 3.25Å; D230-R300 PolarHBondContact OD1-NH2 3.23Å; D230-R300 IonicContact OD2-NH2 2.88Å; D230-R300 PolarHBondContact OD2-NH2 3.2Å; S252-R300 WeakPolarHBondContact CB-O 3.47Å; V298-R300 WeakPolarHBondContact CG1-O 3.48Å; V298-R300 PolarHBondContact O-N 3.41Å; R300-S304 WeakPolarHBondContact CB-OG 3.01Å; R300-S304 WeakPolarHBondContact CG-OG 3.33Å; R300-S304 PolarHBondContact NH1-OG 3.49Å
301F97Very high96.2Very high1 Ų115.1 Ų15.10%0.0048%0.078CC..  trans-149.3-143172.9-162.5-139.3000110.5V225 E227 N280 T283 A284 I287 V298 H303 S304 W331 L335V225-F301 HydrophobicContact CG1-CB 3.7Å; V225-F301 HydrophobicContact CG2-CB 4.08Å; V225-F301 HydrophobicContact CG2-CD1 4.24Å; V225-F301 HydrophobicContact CG2-CG 4.49Å; E227-F301 PolarHBondContact OE1-N 3.43Å; N280-F301 HydrophobicContact CB-CD2 4.43Å; N280-F301 HydrophobicContact CB-CE2 4.11Å; N280-F301 VanDerWaalsContact O-CE2 3.3Å; N280-F301 WeakPolarHBondContact O-CE2 3.38Å; T283-F301 HydrophobicContact CG2-CD2 4.12Å; T283-F301 HydrophobicContact CG2-CE2 3.97Å; A284-F301 HydrophobicContact CB-CZ 4.08Å; I287-F301 HydrophobicContact CD1-CE1 4.5Å; I287-F301 HydrophobicContact CD1-CE2 4.09Å; I287-F301 HydrophobicContact CD1-CZ 4.06Å; V298-F301 HydrophobicContact CG1-CB 4.43Å; F301-H303 VanDerWaalsContact C-N 3.28Å; F301-H303 PolarHBondContact O-N 3.48Å; F301-S304 PolarHBondContact O-N 3.11Å; F301-W331 AromaticContact CD1-CH2 3.76Å; F301-W331 HydrophobicContact CD1-CH2 3.76Å; F301-W331 HydrophobicContact CD1-CZ2 4.23Å; F301-W331 AromaticContact CE1-CH2 3.91Å; F301-W331 HydrophobicContact CE1-CH2 3.91Å; F301-W331 AromaticContact CE1-CZ2 3.89Å; F301-W331 HydrophobicContact CE1-CZ2 3.89Å; F301-L335 HydrophobicContact CE1-CD2 4.2Å; F301-L335 HydrophobicContact CE1-CG 4.36Å; F301-L335 HydrophobicContact CZ-CD1 4.07Å; F301-L335 HydrophobicContact CZ-CD2 4.19Å; F301-L335 HydrophobicContact CZ-CG 4.18Å
302W97.3Very high96Very high5 Ų517.4 Ų17.42%0.0199%0.092CC..Hα-helixtrans-59.1-35.7-177.8-17789.8000113.6V181 F182 Y183 S304 T305 A306 R330 W331 P332 L335 I386V181-W302 HydrophobicContact CG1-CH2 4.37Å; V181-W302 HydrophobicContact CG1-CZ2 3.51Å; F182-W302 PolarHBondContact O-NE1 2.84Å; Y183-W302 HydrophobicContact CD1-CZ2 4.43Å; Y183-W302 HydrophobicContact CE1-CH2 4.3Å; Y183-W302 AromaticContact CE1-CZ2 3.82Å; Y183-W302 HydrophobicContact CE1-CZ2 3.82Å; W302-S304 VanDerWaalsContact C-N 3.32Å; W302-S304 PolarHBondContact O-N 3.3Å; W302-T305 WeakPolarHBondContact CA-OG1 3.49Å; W302-T305 PolarHBondContact O-N 2.8Å; W302-T305 PolarHBondContact O-OG1 2.98Å; W302-A306 HydrophobicContact CD2-CB 4.03Å; W302-A306 HydrophobicContact CE3-CB 3.88Å; W302-A306 HydrophobicContact CH2-CB 3.56Å; W302-A306 HydrophobicContact CZ2-CB 3.71Å; W302-A306 HydrophobicContact CZ3-CB 3.65Å; W302-A306 PolarHBondContact O-N 3.26Å; W302-R330 WeakPolarHBondContact CH2-O 3.36Å; W302-W331 HydrophobicContact CB-CH2 3.63Å; W302-W331 HydrophobicContact CB-CZ2 4.38Å; W302-W331 HydrophobicContact CB-CZ3 3.8Å; W302-W331 HydrophobicContact CD2-CE3 4.27Å; W302-W331 HydrophobicContact CD2-CZ3 4.08Å; W302-W331 AromaticContact CE3-CE3 3.66Å; W302-W331 HydrophobicContact CE3-CE3 3.66Å; W302-W331 AromaticContact CE3-CZ3 3.56Å; W302-W331 HydrophobicContact CE3-CZ3 3.56Å; W302-W331 HydrophobicContact CG-CH2 4.36Å; W302-W331 HydrophobicContact CG-CZ3 4.22Å; W302-W331 HydrophobicContact CZ3-CE3 4.15Å; W302-W331 HydrophobicContact CZ3-CZ3 4.43Å; W302-P332 HydrophobicContact CD2-CG 4.05Å; W302-P332 VanDerWaalsContact CE2-CG 3.44Å; W302-P332 HydrophobicContact CG-CG 4.15Å; W302-P332 HydrophobicContact CZ2-CG 3.89Å; W302-L335 HydrophobicContact CB-CD2 3.67Å; W302-L335 HydrophobicContact CG-CD2 3.9Å; W302-I386 HydrophobicContact CZ3-CD1 4.26Å; W302-I386 HydrophobicContact CZ3-CG1 4.35Å; W302-I386 HydrophobicContact CZ3-CG2 3.86Å
303H97.3Very high96Very high0 Ų015.9 Ų15.90%08%0.082CC..Hα-helixtrans-57.1-44-179.6-56.674.4000112.3E227 F301 T305 A306 A307 W331 V341 Y383 I386 P389E227-H303 HydrophobicContact CG-CB 3.9Å; F301-H303 VanDerWaalsContact C-N 3.28Å; F301-H303 PolarHBondContact O-N 3.48Å; H303-T305 PolarHBondContact O-N 2.84Å; H303-A306 PolarHBondContact O-N 2.78Å; H303-A307 VanDerWaalsContact O-CB 3.23Å; H303-A307 WeakPolarHBondContact O-CB 3.48Å; H303-A307 PolarHBondContact O-N 2.87Å; H303-W331 AromaticContact CE1-CH2 3.86Å; H303-W331 AromaticContact CE1-CZ3 3.2Å; H303-W331 WeakPolarHBondContact CE1-CZ3 3.17Å; H303-W331 AromaticContact ND1-CZ3 3.54Å; H303-W331 AromaticContact NE2-CZ3 3.86Å; H303-V341 WeakPolarHBondContact CE1-CG2 3.18Å; H303-Y383 HydrophobicContact CB-CD1 4.05Å; H303-Y383 HydrophobicContact CB-CE1 3.74Å; H303-I386 HydrophobicContact CB-CD1 4.3Å; H303-P389 PolarHBondContact NE2-O 2.68Å
304S95.2Very high95.7Very high11 Ų119.8 Ų9.88%0.0776%0.056CC..Hα-helixtrans-54.9-49.9172-84.80000111.8E227 R300 F301 W302 A306 Y308 Y383E227-S304 PolarHBondContact OE1-N 3.46Å; E227-S304 WeakPolarHBondContact OE2-CB 3.49Å; E227-S304 PolarHBondContact OE2-N 2.9Å; E227-S304 PolarHBondContact OE2-OG 3.44Å; R300-S304 WeakPolarHBondContact CB-OG 3.01Å; R300-S304 WeakPolarHBondContact CG-OG 3.33Å; R300-S304 PolarHBondContact NH1-OG 3.49Å; F301-S304 PolarHBondContact O-N 3.11Å; W302-S304 VanDerWaalsContact C-N 3.32Å; W302-S304 PolarHBondContact O-N 3.3Å; S304-A306 PolarHBondContact O-N 3.33Å; S304-Y308 VanDerWaalsContact O-CD2 3.23Å; S304-Y308 WeakPolarHBondContact O-CD2 3.25Å; S304-Y308 PolarHBondContact O-N 2.92Å; S304-Y383 WeakPolarHBondContact CA-OH 3.48Å; S304-Y383 PolarHBondContact OG-OH 2.78Å
305T95Very high95.2Very high24 Ų2411 Ų1115%0.1476%0.062CC..Hα-helixtrans-64.8-41.1-177.460.70000112.3N280 W302 H303 A309N280-T305 WeakPolarHBondContact ND2-CG2 3.13Å; N280-T305 PolarHBondContact ND2-OG1 3.28Å; W302-T305 WeakPolarHBondContact CA-OG1 3.49Å; W302-T305 PolarHBondContact O-N 2.8Å; W302-T305 PolarHBondContact O-OG1 2.98Å; H303-T305 PolarHBondContact O-N 2.84Å; T305-A309 WeakPolarHBondContact O-CB 3.27Å; T305-A309 PolarHBondContact O-N 2.98Å; T305-A309 VanDerWaalsContact O-N 3.15Å
306A96.8Very high94.7Very high0 Ų010.6 Ų10.60%06%0.061CC..Hα-helixtrans-71.6-49.1-179.700000112.2V181 W302 H303 S304 Y308 A309 I310 I386V181-A306 HydrophobicContact CG1-CB 3.93Å; V181-A306 HydrophobicContact CG2-CB 4.47Å; W302-A306 HydrophobicContact CD2-CB 4.03Å; W302-A306 HydrophobicContact CE3-CB 3.88Å; W302-A306 HydrophobicContact CH2-CB 3.56Å; W302-A306 HydrophobicContact CZ2-CB 3.71Å; W302-A306 HydrophobicContact CZ3-CB 3.65Å; W302-A306 PolarHBondContact O-N 3.26Å; H303-A306 PolarHBondContact O-N 2.78Å; S304-A306 PolarHBondContact O-N 3.33Å; A306-Y308 PolarHBondContact O-N 2.49Å; A306-A309 PolarHBondContact O-N 2.74Å; A306-I310 WeakPolarHBondContact O-CB 3.35Å; A306-I310 WeakPolarHBondContact O-CD1 3.49Å; A306-I310 WeakPolarHBondContact O-CG1 3.31Å; A306-I310 PolarHBondContact O-N 2.87Å; A306-I386 HydrophobicContact CB-CD1 4.06Å
307A96.5Very high94.3Very high0 Ų013.2 Ų13.20%08%0.078CC..Hα-helixtrans-60.8-45.2-176.100000112H303 A311 V379 A382 Y383 I386H303-A307 VanDerWaalsContact O-CB 3.23Å; H303-A307 WeakPolarHBondContact O-CB 3.48Å; H303-A307 PolarHBondContact O-N 2.87Å; A307-A311 VanDerWaalsContact O-CB 3.3Å; A307-A311 WeakPolarHBondContact O-CB 3.47Å; A307-A311 PolarHBondContact O-N 2.99Å; A307-A311 VanDerWaalsContact O-N 3.07Å; A307-V379 HydrophobicContact CB-CG1 4.47Å; A307-A382 HydrophobicContact CB-CB 4.06Å; A307-Y383 HydrophobicContact CB-CD1 3.94Å; A307-Y383 HydrophobicContact CB-CD2 3.67Å; A307-Y383 HydrophobicContact CB-CE1 4.08Å; A307-Y383 HydrophobicContact CB-CE2 3.8Å; A307-Y383 HydrophobicContact CB-CG 3.77Å; A307-I386 HydrophobicContact CB-CD1 4.21Å
308Y94.7Very high94Very high12 Ų1215 Ų155%0.0479%0.089CC..Hα-helixtrans-68.2-43.6177.2-79.7-109.4000111.6D230 S304 A306 I310 A311 T312 L369 F375 V379 Y383D230-Y308 PolarHBondContact OD2-OH 2.84Å; S304-Y308 VanDerWaalsContact O-CD2 3.23Å; S304-Y308 WeakPolarHBondContact O-CD2 3.25Å; S304-Y308 PolarHBondContact O-N 2.92Å; A306-Y308 PolarHBondContact O-N 2.49Å; Y308-I310 PolarHBondContact O-N 2.87Å; Y308-A311 PolarHBondContact O-N 3.07Å; Y308-T312 WeakPolarHBondContact O-CB 3.46Å; Y308-T312 PolarHBondContact O-N 2.88Å; Y308-T312 PolarHBondContact O-OG1 3.04Å; Y308-L369 HydrophobicContact CE1-CD1 3.56Å; Y308-L369 HydrophobicContact CE1-CG 4.34Å; Y308-L369 VanDerWaalsContact OH-CD1 3.28Å; Y308-L369 WeakPolarHBondContact OH-CD1 3.44Å; Y308-F375 HydrophobicContact CD1-CZ 4.42Å; Y308-V379 HydrophobicContact CD1-CG2 4.48Å; Y308-V379 HydrophobicContact CD2-CG1 3.89Å; Y308-V379 HydrophobicContact CE2-CG1 3.76Å; Y308-V379 HydrophobicContact CG-CG1 4.43Å; Y308-Y383 HydrophobicContact CE2-CE2 4.19Å
309A94.8Very high93.7Very high1 Ų119.6 Ų19.61%0.00812%0.121CC..Hα-helixtrans-59.1-47177.700000112.6D180 V181 R273 T305 A306 A311 T312 A313D180-A309 HydrophobicContact CB-CB 4.31Å; D180-A309 VanDerWaalsContact O-CB 3.23Å; D180-A309 WeakPolarHBondContact O-CB 3.46Å; V181-A309 HydrophobicContact CG2-CB 3.89Å; R273-A309 HydrophobicContact CG-CB 4.29Å; T305-A309 WeakPolarHBondContact O-CB 3.27Å; T305-A309 PolarHBondContact O-N 2.98Å; T305-A309 VanDerWaalsContact O-N 3.15Å; A306-A309 PolarHBondContact O-N 2.74Å; A309-A311 PolarHBondContact O-N 3.47Å; A309-T312 PolarHBondContact O-N 2.79Å; A309-A313 VanDerWaalsContact O-CB 3.31Å; A309-A313 WeakPolarHBondContact O-CB 3.36Å; A309-A313 PolarHBondContact O-N 3.08Å
310I96.1Very high93.5Very high0 Ų020.3 Ų20.30%013%0.125CC..Hα-helixtrans-62.2-44.9178.3-64164.8000110.5M176 V181 A306 Y308 T312 A313 V314 L321 P322 V328 Y329 A382M176-I310 HydrophobicContact CE-CG2 4.45Å; M176-I310 HydrophobicContact SD-CG2 4.33Å; V181-I310 HydrophobicContact CG2-CD1 4.32Å; V181-I310 HydrophobicContact CG2-CG1 3.74Å; A306-I310 WeakPolarHBondContact O-CB 3.35Å; A306-I310 WeakPolarHBondContact O-CD1 3.49Å; A306-I310 WeakPolarHBondContact O-CG1 3.31Å; A306-I310 PolarHBondContact O-N 2.87Å; Y308-I310 PolarHBondContact O-N 2.87Å; I310-T312 VanDerWaalsContact C-N 3.35Å; I310-T312 PolarHBondContact O-N 2.9Å; I310-A313 PolarHBondContact O-N 3.32Å; I310-V314 PolarHBondContact O-N 3.43Å; I310-L321 HydrophobicContact CG2-CD2 3.84Å; I310-P322 HydrophobicContact CG2-CG 4.19Å; I310-V328 HydrophobicContact CD1-CG1 4.26Å; I310-V328 HydrophobicContact CD1-CG2 3.79Å; I310-V328 HydrophobicContact CG1-CG2 3.74Å; I310-Y329 HydrophobicContact CD1-CD1 3.86Å; I310-Y329 HydrophobicContact CD1-CE1 3.64Å; I310-Y329 HydrophobicContact CG2-CE1 4.33Å; I310-A382 HydrophobicContact CB-CB 4.49Å; I310-A382 HydrophobicContact CG2-CB 4.49Å
311A93.9Very high93.4Very high0 Ų018.9 Ų18.90%012%0.12CC..Hα-helixtrans-68.3-31.8-17900000113.3A307 Y308 A309 V314 F375 R378 V379A307-A311 VanDerWaalsContact O-CB 3.3Å; A307-A311 WeakPolarHBondContact O-CB 3.47Å; A307-A311 PolarHBondContact O-N 2.99Å; A307-A311 VanDerWaalsContact O-N 3.07Å; Y308-A311 PolarHBondContact O-N 3.07Å; A309-A311 PolarHBondContact O-N 3.47Å; A311-V314 VanDerWaalsContact O-O 3.07Å; A311-F375 HydrophobicContact CB-CD2 4.08Å; A311-F375 HydrophobicContact CB-CE2 3.76Å; A311-R378 HydrophobicContact CB-CB 3.84Å; A311-R378 PolarHBondContact O-NH2 3.46Å; A311-V379 HydrophobicContact CB-CB 4.29Å; A311-V379 HydrophobicContact CB-CG2 3.42Å; A311-V379 VanDerWaalsContact CB-CG2 3.42Å
312T91.3Very high93.3Very high47 Ų4718.9 Ų18.929%0.28812%0.12SC..Hα-helixtrans-75.3-37.9175-59.30000111.5R273 Y308 A309 I310 V314R273-T312 PolarHBondContact NH2-OG1 3.34Å; Y308-T312 WeakPolarHBondContact O-CB 3.46Å; Y308-T312 PolarHBondContact O-N 2.88Å; Y308-T312 PolarHBondContact O-OG1 3.04Å; A309-T312 PolarHBondContact O-N 2.79Å; I310-T312 VanDerWaalsContact C-N 3.35Å; I310-T312 PolarHBondContact O-N 2.9Å; T312-V314 PolarHBondContact O-N 3.32Å
313A91.3Very high93.1Very high14 Ų1423.8 Ų23.812%0.11614%0.143CC..Hα-helixtrans-68.6-20.5-177.500000113.3S172 M176 D180 A309 I310S172-A313 WeakPolarHBondContact CB-O 3.03Å; S172-A313 PolarHBondContact OG-O 3.25Å; M176-A313 HydrophobicContact CE-CB 3.88Å; M176-A313 HydrophobicContact CG-CB 4.26Å; D180-A313 HydrophobicContact CB-CB 4.32Å; A309-A313 VanDerWaalsContact O-CB 3.31Å; A309-A313 WeakPolarHBondContact O-CB 3.36Å; A309-A313 PolarHBondContact O-N 3.08Å; I310-A313 PolarHBondContact O-N 3.32Å
314V90.4Very high92.9Very high0 Ų029.3 Ų29.30%017%0.169CC..  trans-106.8138.1179178.20000110.3H170 M176 I310 A311 T312 N320 L321 R378H170-V314 HydrophobicContact CB-CG1 4.22Å; M176-V314 HydrophobicContact CE-CG2 3.24Å; I310-V314 PolarHBondContact O-N 3.43Å; A311-V314 VanDerWaalsContact O-O 3.07Å; T312-V314 PolarHBondContact O-N 3.32Å; V314-N320 HydrophobicContact CG1-CB 3.31Å; V314-L321 HydrophobicContact CB-CD2 4.41Å; V314-L321 HydrophobicContact CG2-CD2 4.37Å; V314-R378 PolarHBondContact O-NH1 3.39Å; V314-R378 PolarHBondContact O-NH2 3.28Å
315T86.3Confident92.7Very high44 Ų4431.1 Ų31.127%0.2719%0.189SC..  trans-102.1165.8170.857.80000111.1E20 H170 N320 R378E20-T315 VanDerWaalsContact CD-OG1 3.25Å; E20-T315 WeakPolarHBondContact OE1-CB 3.22Å; E20-T315 PolarHBondContact OE1-OG1 3.41Å; E20-T315 PolarHBondContact OE2-OG1 2.79Å; H170-T315 PolarHBondContact NE2-N 2.95Å; H170-T315 PolarHBondContact NE2-OG1 2.87Å; T315-N320 PolarHBondContact O-ND2 3.49Å; T315-R378 PolarHBondContact O-NH1 2.96Å
316G86.6Confident92.7Very high5 Ų530.4 Ų30.45%0.05219%0.186CC..SBendtrans71.8-153.4178.300000116A23 R378A23-G316 VanDerWaalsContact O-CA 3.31Å; A23-G316 WeakPolarHBondContact O-CA 3.4Å; A23-G316 PolarHBondContact O-N 3.43Å; G316-R378 VanDerWaalsContact N-NH1 3.11Å; G316-R378 WeakPolarHBondContact O-CD 3.4Å; G316-R378 PolarHBondContact O-NH1 3.48Å
317P90.1Very high92.5Very high55 Ų5535.3 Ų35.336%0.35721%0.209SC..SBendtrans-70.7167-169.129.3-37.3000114.3S319 N320P317-S319 WeakPolarHBondContact CG-OG 3.32Å; P317-S319 PolarHBondContact O-N 2.82Å; P317-N320 WeakPolarHBondContact O-CB 3.47Å; P317-N320 PolarHBondContact O-N 2.94Å
318V92.4Very high92.5Very high37 Ų3735.7 Ų35.722%0.22421%0.211CC..G310 helixtrans-58.4-28.1177.9178.40000113N320 L321 L377 R378 E381V318-N320 PolarHBondContact O-N 3.31Å; V318-L321 HydrophobicContact CG1-CD1 4.13Å; V318-L321 VanDerWaalsContact O-CB 3.3Å; V318-L321 WeakPolarHBondContact O-CB 3.41Å; V318-L321 PolarHBondContact O-N 2.93Å; V318-L321 VanDerWaalsContact O-N 3.12Å; V318-L377 HydrophobicContact CG2-CB 3.65Å; V318-R378 HydrophobicContact CG2-CG 4.14Å; V318-E381 HydrophobicContact CG1-CB 3.81Å; V318-E381 HydrophobicContact CG1-CG 3.58Å
319S91.3Very high92.5Very high97 Ų9735.2 Ų35.268%0.67821%0.209SC*.G310 helixtrans-63.5-19.4175.154.40000113.7P317 L321P317-S319 WeakPolarHBondContact CG-OG 3.32Å; P317-S319 PolarHBondContact O-N 2.82Å; S319-L321 VanDerWaalsContact C-N 3.28Å
320N92Very high92.6Very high35 Ų3542.4 Ų42.419%0.18724%0.236CC..G310 helixtrans-77.7-15.3176.9-70.72.4000112.7H170 V314 T315 P317 V318H170-N320 HydrophobicContact CB-CB 4.12Å; H170-N320 WeakPolarHBondContact CB-O 3.48Å; V314-N320 HydrophobicContact CG1-CB 3.31Å; T315-N320 PolarHBondContact O-ND2 3.49Å; P317-N320 WeakPolarHBondContact O-CB 3.47Å; P317-N320 PolarHBondContact O-N 2.94Å; V318-N320 PolarHBondContact O-N 3.31Å
321L95.4Very high92.5Very high8 Ų843.9 Ų43.94%0.04224%0.242CC..SBendtrans-61.5148.1174.7-72.2179.3000110.6I310 V314 V318 S319 R378 E381 R385I310-L321 HydrophobicContact CG2-CD2 3.84Å; V314-L321 HydrophobicContact CB-CD2 4.41Å; V314-L321 HydrophobicContact CG2-CD2 4.37Å; V318-L321 HydrophobicContact CG1-CD1 4.13Å; V318-L321 VanDerWaalsContact O-CB 3.3Å; V318-L321 WeakPolarHBondContact O-CB 3.41Å; V318-L321 PolarHBondContact O-N 2.93Å; V318-L321 VanDerWaalsContact O-N 3.12Å; S319-L321 VanDerWaalsContact C-N 3.28Å; L321-R378 HydrophobicContact CD1-CB 4.17Å; L321-R378 HydrophobicContact CD1-CG 4.26Å; L321-R378 HydrophobicContact CD2-CB 4.19Å; L321-R378 HydrophobicContact CD2-CG 4.3Å; L321-R378 HydrophobicContact CG-CB 4.36Å; L321-R378 HydrophobicContact CG-CG 4.14Å; L321-E381 HydrophobicContact CD1-CB 3.93Å; L321-E381 HydrophobicContact CD1-CG 3.84Å; L321-R385 PolarHBondContact O-NH1 2.93Å
322P95.1Very high92.5Very high1 Ų144 Ų441%0.00624%0.242CC..PPolyproline II helixtrans-46.8142.7170.6-21.927.8000111.5V173 M176 I310 A326 V328 Y329 R385V173-P322 HydrophobicContact CG1-CB 4.11Å; V173-P322 HydrophobicContact CG1-CG 4.08Å; V173-P322 HydrophobicContact CG2-CG 4.05Å; M176-P322 HydrophobicContact CE-CG 4.03Å; M176-P322 HydrophobicContact SD-CG 3.72Å; I310-P322 HydrophobicContact CG2-CG 4.19Å; P322-A326 HydrophobicContact CB-CB 3.94Å; P322-V328 HydrophobicContact CB-CG1 3.71Å; P322-V328 HydrophobicContact CG-CG1 3.69Å; P322-Y329 HydrophobicContact CB-CE2 3.78Å; P322-Y329 VanDerWaalsContact O-CE2 3.27Å; P322-Y329 WeakPolarHBondContact O-CE2 3.46Å; P322-Y329 PolarHBondContact O-OH 3.09Å; P322-R385 PolarHBondContact O-NH1 3.03Å
323H92.9Very high92.5Very high108 Ų10845.5 Ų45.550%0.527%0.267SS..PPolyproline II helixtrans-61.1153.5-179.860.5-87.6000111.5G325 A326 Y329H323-G325 PolarHBondContact O-N 3.11Å; H323-A326 WeakPolarHBondContact O-CB 3.5Å; H323-A326 PolarHBondContact O-N 3.01Å; H323-Y329 WeakPolarHBondContact O-CE2 3.21Å
324E92.9Very high92.6Very high116 Ų11647.4 Ų47.454%0.54228%0.275SS..THydrogen-bonded Turntrans-58135.2176.9-171.3162.6178.700111A326 R384 R385E324-A326 VanDerWaalsContact C-N 3.31Å; E324-A326 PolarHBondContact O-N 2.92Å; E324-R384 IonicContact OE1-NH1 3.76Å; E324-R384 PolarHBondContact OE1-NH1 3.08Å; E324-R384 VanDerWaalsContact OE1-NH1 3.09Å; E324-R384 IonicContact OE2-CZ 2.76Å; E324-R384 IonicContact OE2-NH1 3.03Å; E324-R384 PolarHBondContact OE2-NH1 3.36Å; E324-R384 IonicContact OE2-NH2 2.82Å; E324-R384 PolarHBondContact OE2-NH2 3.08Å; E324-R385 HydrophobicContact CB-CG 4.37Å; E324-R385 HydrophobicContact CG-CG 4.35Å
325G91.5Very high92.7Very high49 Ų4947.7 Ų47.751%0.50528%0.277SS..THydrogen-bonded Turntrans82.5-2.7-174.300000115.7H323H323-G325 PolarHBondContact O-N 3.11Å
326A93.7Very high93Very high9 Ų945.7 Ų45.77%0.07427%0.265CS..  trans-54.7151.3171.300000111.7P322 H323 E324 V328 Y329P322-A326 HydrophobicContact CB-CB 3.94Å; H323-A326 WeakPolarHBondContact O-CB 3.5Å; H323-A326 PolarHBondContact O-N 3.01Å; E324-A326 VanDerWaalsContact C-N 3.31Å; E324-A326 PolarHBondContact O-N 2.92Å; A326-V328 HydrophobicContact CB-CG1 4.25Å; A326-V328 PolarHBondContact O-N 2.95Å; A326-Y329 HydrophobicContact CB-CD2 4.04Å; A326-Y329 HydrophobicContact CB-CE2 4.31Å; A326-Y329 PolarHBondContact O-N 3.46Å
327E93.8Very high93.4Very high104 Ų10450.5 Ų50.549%0.48629%0.285SS..G310 helixtrans-51.7-36.2-178-175-176.8-177.200112.7I177 Y329 R330I177-E327 HydrophobicContact CD1-CB 4.48Å; I177-E327 HydrophobicContact CD1-CG 4.15Å; E327-Y329 PolarHBondContact O-N 3.39Å; E327-Y329 VanDerWaalsContact O-N 3.11Å; E327-R330 WeakPolarHBondContact O-CB 3.29Å; E327-R330 WeakPolarHBondContact O-CG 3.35Å; E327-R330 PolarHBondContact O-N 3.34Å
328V95Very high93.6Very high7 Ų748.2 Ų48.24%0.04227%0.271CS..G310 helixtrans-63.3-20-177.972.50000113.9M176 I177 V181 Y183 I310 P322 A326M176-V328 HydrophobicContact CB-CG2 3.94Å; M176-V328 HydrophobicContact SD-CG2 4.05Å; I177-V328 HydrophobicContact CD1-CB 3.88Å; I177-V328 HydrophobicContact CD1-CG2 4.11Å; V181-V328 HydrophobicContact CB-CG2 4.41Å; V181-V328 HydrophobicContact CG2-CG2 4.01Å; Y183-V328 WeakPolarHBondContact OH-CA 3.24Å; Y183-V328 WeakPolarHBondContact OH-CG2 3.38Å; Y183-V328 PolarHBondContact OH-O 3.37Å; I310-V328 HydrophobicContact CD1-CG1 4.26Å; I310-V328 HydrophobicContact CD1-CG2 3.79Å; I310-V328 HydrophobicContact CG1-CG2 3.74Å; P322-V328 HydrophobicContact CB-CG1 3.71Å; P322-V328 HydrophobicContact CG-CG1 3.69Å; A326-V328 HydrophobicContact CB-CG1 4.25Å; A326-V328 PolarHBondContact O-N 2.95Å
329Y96.5Very high93.8Very high2 Ų249.6 Ų49.61%0.00828%0.282CS..G310 helixtrans-90.6-2.7177.3-65.5-56.9000113.6I310 P322 H323 A326 E327 A382 R385 I386 G387I310-Y329 HydrophobicContact CD1-CD1 3.86Å; I310-Y329 HydrophobicContact CD1-CE1 3.64Å; I310-Y329 HydrophobicContact CG2-CE1 4.33Å; P322-Y329 HydrophobicContact CB-CE2 3.78Å; P322-Y329 VanDerWaalsContact O-CE2 3.27Å; P322-Y329 WeakPolarHBondContact O-CE2 3.46Å; P322-Y329 PolarHBondContact O-OH 3.09Å; H323-Y329 WeakPolarHBondContact O-CE2 3.21Å; A326-Y329 HydrophobicContact CB-CD2 4.04Å; A326-Y329 HydrophobicContact CB-CE2 4.31Å; A326-Y329 PolarHBondContact O-N 3.46Å; E327-Y329 PolarHBondContact O-N 3.39Å; E327-Y329 VanDerWaalsContact O-N 3.11Å; Y329-A382 HydrophobicContact CE1-CB 4.39Å; Y329-R385 VanDerWaalsContact CB-O 3.31Å; Y329-R385 WeakPolarHBondContact CB-O 3.36Å; Y329-R385 HydrophobicContact CD1-CB 3.71Å; Y329-R385 HydrophobicContact CD2-CB 3.91Å; Y329-R385 HydrophobicContact CE1-CB 3.61Å; Y329-R385 HydrophobicContact CE2-CB 3.79Å; Y329-R385 HydrophobicContact CE2-CG 4.36Å; Y329-R385 HydrophobicContact CG-CB 3.87Å; Y329-R385 WeakPolarHBondContact OH-CD 3.42Å; Y329-I386 HydrophobicContact CD1-CG1 4.05Å; Y329-G387 PolarHBondContact O-N 3.49Å
330R95.4Very high94.1Very high152 Ų15245.5 Ų45.557%0.57425%0.253SS*.SBendtrans-78.3151.8-178-63179.7-177.3169.9-0.3111.1Y183 W302 E327Y183-R330 VanDerWaalsContact CE1-O 3.27Å; Y183-R330 WeakPolarHBondContact CE1-O 3.44Å; W302-R330 WeakPolarHBondContact CH2-O 3.36Å; E327-R330 WeakPolarHBondContact O-CB 3.29Å; E327-R330 WeakPolarHBondContact O-CG 3.35Å; E327-R330 PolarHBondContact O-N 3.34Å
331W94.9Very high94.3Very high32 Ų3244 Ų4412%0.12124%0.244CC..PPolyproline II helixtrans-69.4141.5172.9-168.9-100.4000111.6F301 W302 H303 G333 L335 L336 P338 P389F301-W331 AromaticContact CD1-CH2 3.76Å; F301-W331 HydrophobicContact CD1-CH2 3.76Å; F301-W331 HydrophobicContact CD1-CZ2 4.23Å; F301-W331 AromaticContact CE1-CH2 3.91Å; F301-W331 HydrophobicContact CE1-CH2 3.91Å; F301-W331 AromaticContact CE1-CZ2 3.89Å; F301-W331 HydrophobicContact CE1-CZ2 3.89Å; W302-W331 HydrophobicContact CB-CH2 3.63Å; W302-W331 HydrophobicContact CB-CZ2 4.38Å; W302-W331 HydrophobicContact CB-CZ3 3.8Å; W302-W331 HydrophobicContact CD2-CE3 4.27Å; W302-W331 HydrophobicContact CD2-CZ3 4.08Å; W302-W331 AromaticContact CE3-CE3 3.66Å; W302-W331 HydrophobicContact CE3-CE3 3.66Å; W302-W331 AromaticContact CE3-CZ3 3.56Å; W302-W331 HydrophobicContact CE3-CZ3 3.56Å; W302-W331 HydrophobicContact CG-CH2 4.36Å; W302-W331 HydrophobicContact CG-CZ3 4.22Å; W302-W331 HydrophobicContact CZ3-CE3 4.15Å; W302-W331 HydrophobicContact CZ3-CZ3 4.43Å; H303-W331 AromaticContact CE1-CH2 3.86Å; H303-W331 AromaticContact CE1-CZ3 3.2Å; H303-W331 WeakPolarHBondContact CE1-CZ3 3.17Å; H303-W331 AromaticContact ND1-CZ3 3.54Å; H303-W331 AromaticContact NE2-CZ3 3.86Å; W331-G333 PolarHBondContact O-N 3.02Å; W331-L335 HydrophobicContact CH2-CD2 4.27Å; W331-L335 HydrophobicContact CZ2-CD2 3.77Å; W331-L335 HydrophobicContact CZ2-CG 4.12Å; W331-L335 PolarHBondContact NE1-O 3.13Å; W331-L336 WeakPolarHBondContact CZ2-O 3.46Å; W331-P338 HydrophobicContact CH2-CG 4.38Å; W331-P389 HydrophobicContact CD2-CG 3.75Å; W331-P389 HydrophobicContact CE3-CG 3.4Å; W331-P389 HydrophobicContact CG-CG 4.4Å; W331-P389 HydrophobicContact CH2-CG 4.28Å; W331-P389 HydrophobicContact CZ3-CG 3.7Å
332P94.1Very high94.5Very high1 Ų143.6 Ų43.61%0.00624%0.242CC..PPolyproline II helixtrans-61.6129.7172.6-20.732.3000111.7Y183 W302 D334 L335Y183-P332 HydrophobicContact CD1-CG 4.29Å; W302-P332 HydrophobicContact CD2-CG 4.05Å; W302-P332 VanDerWaalsContact CE2-CG 3.44Å; W302-P332 HydrophobicContact CG-CG 4.15Å; W302-P332 HydrophobicContact CZ2-CG 3.89Å; P332-D334 VanDerWaalsContact C-N 3.25Å; P332-D334 PolarHBondContact O-N 3.42Å; P332-L335 HydrophobicContact CB-CB 3.81Å; P332-L335 HydrophobicContact CG-CB 4.26Å; P332-L335 HydrophobicContact CG-CD2 4.19Å; P332-L335 PolarHBondContact O-N 3.32Å
333G91.5Very high94.6Very high79 Ų7944.4 Ų44.481%0.81425%0.247SC*.THydrogen-bonded Turntrans-71.6-17.4-175.200000114.7W331W331-G333 PolarHBondContact O-N 3.02Å
334D91.9Very high94.8Very high54 Ų5439.5 Ų39.529%0.28922%0.224SC..THydrogen-bonded Turntrans-107.112.317973.7-19.2000112.9Y183 S184 L185 A215 Y281 P332Y183-D334 VanDerWaalsContact O-OD1 3.14Å; S184-D334 WeakPolarHBondContact CA-OD2 3.29Å; L185-D334 PolarHBondContact N-OD2 3.09Å; A215-D334 VanDerWaalsContact CB-C 3.44Å; A215-D334 WeakPolarHBondContact CB-O 3.41Å; Y281-D334 WeakPolarHBondContact CE1-O 3.48Å; Y281-D334 WeakPolarHBondContact CE1-OD1 3.49Å; Y281-D334 PolarHBondContact OH-OD1 2.97Å; Y281-D334 PolarHBondContact OH-OD2 3.08Å; P332-D334 VanDerWaalsContact C-N 3.25Å; P332-D334 PolarHBondContact O-N 3.42Å
335L93.6Very high94.9Very high6 Ų636.6 Ų36.63%0.03121%0.214CC..SBendtrans-111.9136.5176.4-172.867.7000110.6Y281 A284 F301 W302 W331 P332 Q337Y281-L335 HydrophobicContact CD1-CD1 3.66Å; Y281-L335 HydrophobicContact CE1-CB 4.06Å; Y281-L335 HydrophobicContact CE1-CD1 3.78Å; Y281-L335 HydrophobicContact CG-CD1 4.05Å; A284-L335 HydrophobicContact CB-CD1 3.81Å; F301-L335 HydrophobicContact CE1-CD2 4.2Å; F301-L335 HydrophobicContact CE1-CG 4.36Å; F301-L335 HydrophobicContact CZ-CD1 4.07Å; F301-L335 HydrophobicContact CZ-CD2 4.19Å; F301-L335 HydrophobicContact CZ-CG 4.18Å; W302-L335 HydrophobicContact CB-CD2 3.67Å; W302-L335 HydrophobicContact CG-CD2 3.9Å; W331-L335 HydrophobicContact CH2-CD2 4.27Å; W331-L335 HydrophobicContact CZ2-CD2 3.77Å; W331-L335 HydrophobicContact CZ2-CG 4.12Å; W331-L335 PolarHBondContact NE1-O 3.13Å; P332-L335 HydrophobicContact CB-CB 3.81Å; P332-L335 HydrophobicContact CG-CB 4.26Å; P332-L335 HydrophobicContact CG-CD2 4.19Å; P332-L335 PolarHBondContact O-N 3.32Å; L335-Q337 PolarHBondContact O-N 2.85Å
336L93.1Very high94.8Very high3 Ų335.2 Ų35.22%0.01620%0.195CC..PPolyproline II helixtrans-50.7125.5175.5176.4144.4000111.3P219 V223 A284 I287 N288 W331P219-L336 HydrophobicContact CG-CD1 4.01Å; V223-L336 HydrophobicContact CG1-CD2 4.47Å; A284-L336 HydrophobicContact CB-CB 3.98Å; I287-L336 HydrophobicContact CB-CD1 4.48Å; I287-L336 HydrophobicContact CD1-CD2 4.37Å; I287-L336 HydrophobicContact CG2-CD1 3.95Å; I287-L336 HydrophobicContact CG2-CD2 3.81Å; N288-L336 WeakPolarHBondContact OD1-CD1 3.46Å; W331-L336 WeakPolarHBondContact CZ2-O 3.46Å
337Q93.7Very high94.5Very high105 Ų10538.6 Ų38.649%0.49121%0.212SC..PPolyproline II helixtrans-89.5126.9178.4-166.5179.67.600110.9L335 P389L335-Q337 PolarHBondContact O-N 2.85Å; Q337-P389 HydrophobicContact CG-CB 4.05Å; Q337-P389 HydrophobicContact CG-CG 3.86Å
338P95.4Very high94Very high8 Ų835.4 Ų35.45%0.05220%0.2CC..PPolyproline II helixtrans-69.6155.8175.330-37.3000112.5V223 V225 W331 V341 P389V223-P338 HydrophobicContact CB-CB 4.48Å; V223-P338 HydrophobicContact CG1-CB 4.17Å; V225-P338 HydrophobicContact CG2-CB 3.55Å; V225-P338 HydrophobicContact CG2-CG 3.85Å; W331-P338 HydrophobicContact CH2-CG 4.38Å; P338-V341 HydrophobicContact CB-CG2 4.39Å; P338-V341 HydrophobicContact CG-CG2 3.62Å; P338-P389 HydrophobicContact CG-CB 3.97Å; P338-P389 HydrophobicContact CG-CG 4.03Å
339S95.6Very high93.5Very high66 Ų6640 Ų4046%0.46222%0.222SC..SBendtrans-72.7-36.6176.6-47.40000112.3P222 V223P222-S339 WeakPolarHBondContact CA-OG 3.29Å; V223-S339 PolarHBondContact N-OG 3.5Å; V223-S339 WeakPolarHBondContact O-CA 3.36Å; V223-S339 WeakPolarHBondContact O-CB 3.48Å; V223-S339 PolarHBondContact O-N 3.1Å
340L97.1Very high92.9Very high11 Ų1142 Ų426%0.05823%0.231CC..EExtended strand (participates in β ladder)trans-147.3144.2178.8178.164.1000110.3V223 I224 V225 I342 L410 I411 K414V223-L340 PolarHBondContact O-N 2.8Å; I224-L340 WeakPolarHBondContact CA-O 3.47Å; I224-L340 HydrophobicContact CG1-CB 4.37Å; I224-L340 HydrophobicContact CG2-CB 4.41Å; I224-L340 HydrophobicContact CG2-CD2 4.34Å; I224-L340 HydrophobicContact CG2-CG 4.48Å; V225-L340 PolarHBondContact N-O 2.85Å; L340-I342 HydrophobicContact CD2-CD1 3.91Å; L340-I342 HydrophobicContact CD2-CG1 3.81Å; L340-I342 HydrophobicContact CG-CG1 3.94Å; L340-L410 HydrophobicContact CD2-CD2 4.36Å; L340-L410 HydrophobicContact CD2-CG 4.13Å; L340-I411 HydrophobicContact CD2-CG1 3.91Å; L340-K414 HydrophobicContact CD1-CB 4.24Å; L340-K414 HydrophobicContact CD1-CG 4.2Å; L340-K414 HydrophobicContact CD2-CB 4.32Å
341V98.1Very high92.4Very high2 Ų235 Ų351%0.01221%0.205CC..EExtended strand (participates in β ladder)trans-123.9118.6172.5-175.90000107.6V225 E227 H303 P338 P389 T392V225-V341 HydrophobicContact CB-CG1 4.41Å; V225-V341 HydrophobicContact CB-CG2 4.31Å; V225-V341 WeakPolarHBondContact O-CA 3.36Å; E227-V341 HydrophobicContact CB-CG1 4.48Å; E227-V341 HydrophobicContact CG-CG1 3.93Å; H303-V341 WeakPolarHBondContact CE1-CG2 3.18Å; P338-V341 HydrophobicContact CB-CG2 4.39Å; P338-V341 HydrophobicContact CG-CG2 3.62Å; V341-P389 HydrophobicContact CG2-CB 3.9Å; V341-P389 HydrophobicContact CG2-CG 4.42Å; V341-T392 PolarHBondContact O-N 2.97Å
342I98.3Very high91.8Very high0 Ų036.2 Ų36.20%021%0.21CC..EExtended strand (participates in β ladder)trans-105.2118.3177.2-54.5-178.6000107.7I224 V225 I226 E227 L340 L344 T392 L394 A407 L410 I411I224-I342 HydrophobicContact CG2-CD1 4.11Å; I224-I342 HydrophobicContact CG2-CG1 4.31Å; V225-I342 PolarHBondContact O-N 2.8Å; I226-I342 HydrophobicContact CD1-CB 3.85Å; I226-I342 HydrophobicContact CD1-CD1 3.97Å; I226-I342 HydrophobicContact CD1-CG1 4.19Å; E227-I342 PolarHBondContact N-O 3.29Å; L340-I342 HydrophobicContact CD2-CD1 3.91Å; L340-I342 HydrophobicContact CD2-CG1 3.81Å; L340-I342 HydrophobicContact CG-CG1 3.94Å; I342-L344 HydrophobicContact CG2-CD2 4.25Å; I342-T392 CarbonylContact C-O 3.6Å; I342-T392 WeakPolarHBondContact CA-O 3.21Å; I342-L394 HydrophobicContact CG2-CB 3.66Å; I342-L394 HydrophobicContact CG2-CD2 4.14Å; I342-L394 HydrophobicContact CG2-CG 4.42Å; I342-A407 HydrophobicContact CD1-CB 4.39Å; I342-L410 HydrophobicContact CD1-CD2 4.02Å; I342-L410 HydrophobicContact CG1-CD2 3.94Å; I342-I411 HydrophobicContact CD1-CD1 4.29Å; I342-I411 HydrophobicContact CD1-CG1 4.05Å
343L97.9Very high91.3Very high19 Ų1943 Ų4310%0.09924%0.236CC..EExtended strand (participates in β ladder)trans-97.5110.5176.3176.666.5000109.6E227 T345 Y383 C391 T392 A393 L394E227-L343 HydrophobicContact CB-CD1 3.85Å; L343-T345 HydrophobicContact CD2-CG2 4.45Å; L343-T345 HydrophobicContact CG-CG2 4.32Å; L343-T345 PolarHBondContact O-N 3.42Å; L343-Y383 HydrophobicContact CD1-CD1 4.07Å; L343-Y383 HydrophobicContact CD1-CD2 4.28Å; L343-Y383 HydrophobicContact CD1-CE1 4.28Å; L343-Y383 HydrophobicContact CD1-CG 4.04Å; L343-Y383 HydrophobicContact CD2-CG 4.35Å; L343-C391 HydrophobicContact CB-CB 3.89Å; L343-C391 HydrophobicContact CD2-CB 4.18Å; L343-T392 PolarHBondContact N-O 3.4Å; L343-A393 CarbonylContact O-C 3.59Å; L343-A393 WeakPolarHBondContact O-CA 3.24Å; L343-L394 PolarHBondContact O-N 2.87Å
344L97.2Very high90.8Very high5 Ų541.9 Ų41.93%0.02621%0.207CC..EExtended strand (participates in β ladder)trans-71.9118172.9-60.8-167.4000110.3I226 E227 K234 L237 I342 L394 A396I226-L344 HydrophobicContact CG2-CD1 4.15Å; I226-L344 HydrophobicContact CG2-CG 4.07Å; E227-L344 PolarHBondContact O-N 2.79Å; K234-L344 HydrophobicContact CB-CD1 4.42Å; K234-L344 HydrophobicContact CG-CD1 3.88Å; K234-L344 HydrophobicContact CG-CG 4.49Å; L237-L344 HydrophobicContact CB-CD1 4.48Å; L237-L344 HydrophobicContact CD2-CD1 3.94Å; L237-L344 HydrophobicContact CD2-CD2 3.65Å; L237-L344 HydrophobicContact CD2-CG 4.26Å; I342-L344 HydrophobicContact CG2-CD2 4.25Å; L344-L394 HydrophobicContact CD2-CB 4.03Å; L344-L394 HydrophobicContact CD2-CD2 3.58Å; L344-L394 HydrophobicContact CD2-CG 4.34Å; L344-A396 HydrophobicContact CB-CB 4.35Å
345T94.4Very high90.2Very high55 Ų5540 Ų4034%0.33720%0.197SC..EExtended strand (participates in β ladder)trans-106143.4173.959.60000109L343 A393 L394 A396L343-T345 HydrophobicContact CD2-CG2 4.45Å; L343-T345 HydrophobicContact CG-CG2 4.32Å; L343-T345 PolarHBondContact O-N 3.42Å; T345-A393 HydrophobicContact CG2-CB 4.15Å; T345-L394 PolarHBondContact N-O 3.39Å; T345-L394 PolarHBondContact OG1-O 2.73Å; T345-L394 VanDerWaalsContact OG1-O 3.05Å; T345-A396 WeakPolarHBondContact O-CB 3.41Å; T345-A396 PolarHBondContact O-N 2.85Å
346L90Very high89.4Confident19 Ų1948.5 Ų48.510%0.09923%0.229CC..  trans-145.3144.8-179.2-174.264.9000108.6T232 E350 R351 A396T232-L346 HydrophobicContact CG2-CB 4.03Å; L346-E350 HydrophobicContact CD1-CB 4.34Å; L346-E350 HydrophobicContact CD1-CG 3.81Å; L346-E350 HydrophobicContact CD2-CG 4.13Å; L346-E350 HydrophobicContact CG-CB 4.29Å; L346-E350 HydrophobicContact CG-CG 4.11Å; L346-R351 HydrophobicContact CD2-CB 3.98Å; L346-R351 HydrophobicContact CG-CB 4.46Å; L346-A396 HydrophobicContact CD1-CB 4.32Å; L346-A396 WeakPolarHBondContact CD1-O 3.33Å
347D86.8Confident88.5Confident81 Ų8152.8 Ų52.843%0.43326%0.259SS..  trans-52.4133171.3175.7-93.8000110.9E349 E350 R351D347-E349 VanDerWaalsContact C-N 3.28Å; D347-E349 PolarHBondContact O-N 2.64Å; D347-E349 WeakPolarHBondContact OD1-CA 3.27Å; D347-E349 WeakPolarHBondContact OD1-CB 3.42Å; D347-E349 PolarHBondContact OD1-N 3.29Å; D347-E350 HydrophobicContact CB-CB 4.16Å; D347-E350 PolarHBondContact O-N 2.91Å; D347-E350 PolarHBondContact OD1-N 2.78Å; D347-E350 VanDerWaalsContact OD1-N 3.11Å; D347-R351 PolarHBondContact O-N 3.36Å
348P83.1Confident87.3Confident36 Ų3653 Ų5323%0.23426%0.255CS..Hα-helixtrans-56.1-35.8-178.5-31.938.3000115.6K352P348-K352 WeakPolarHBondContact O-CG 3.19Å; P348-K352 PolarHBondContact O-N 3.41Å
349E84.4Confident85.5Confident105 Ų10556.3 Ų56.349%0.49129%0.291SS..Hα-helixtrans-76.9-37.9-178.6-63.4-55127.700110.9D347 R351 K352 R353D347-E349 VanDerWaalsContact C-N 3.28Å; D347-E349 PolarHBondContact O-N 2.64Å; D347-E349 WeakPolarHBondContact OD1-CA 3.27Å; D347-E349 WeakPolarHBondContact OD1-CB 3.42Å; D347-E349 PolarHBondContact OD1-N 3.29Å; E349-R351 VanDerWaalsContact C-N 3.35Å; E349-K352 PolarHBondContact O-N 3.4Å; E349-K352 IonicContact OE1-NZ 3.47Å; E349-K352 PolarHBondContact OE1-NZ 3.27Å; E349-K352 IonicContact OE2-NZ 3.49Å; E349-R353 PolarHBondContact O-N 3.21Å
350E84.6Confident83.8Confident44 Ų4459.5 Ų59.521%0.20630%0.302CS..Hα-helixtrans-63.8-40.2170.9178.854.3-159.900111.6L346 D347 K352 R353 R354L346-E350 HydrophobicContact CD1-CB 4.34Å; L346-E350 HydrophobicContact CD1-CG 3.81Å; L346-E350 HydrophobicContact CD2-CG 4.13Å; L346-E350 HydrophobicContact CG-CB 4.29Å; L346-E350 HydrophobicContact CG-CG 4.11Å; D347-E350 HydrophobicContact CB-CB 4.16Å; D347-E350 PolarHBondContact O-N 2.91Å; D347-E350 PolarHBondContact OD1-N 2.78Å; D347-E350 VanDerWaalsContact OD1-N 3.11Å; E350-K352 PolarHBondContact O-N 3.33Å; E350-R353 WeakPolarHBondContact O-CB 3.34Å; E350-R353 PolarHBondContact O-N 3.01Å; E350-R353 IonicContact OE1-CZ 3.76Å; E350-R353 IonicContact OE1-NE 3.49Å; E350-R353 PolarHBondContact OE1-NE 3.21Å; E350-R353 IonicContact OE1-NH2 3.56Å; E350-R353 PolarHBondContact OE1-NH2 2.89Å; E350-R353 IonicContact OE2-CZ 3.64Å; E350-R353 IonicContact OE2-NE 4Å; E350-R353 PolarHBondContact OE2-NE 2.98Å; E350-R353 IonicContact OE2-NH2 3.62Å; E350-R353 PolarHBondContact OE2-NH2 2.89Å; E350-R354 WeakPolarHBondContact O-CG 3.35Å; E350-R354 PolarHBondContact O-N 2.92Å; E350-R354 IonicContact OE1-CZ 2.85Å; E350-R354 IonicContact OE1-NE 2.77Å; E350-R354 PolarHBondContact OE1-NE 3.38Å; E350-R354 IonicContact OE1-NH2 3.34Å
351R85.1Confident81.9Confident5 Ų568.1 Ų68.12%0.01934%0.344CS..Hα-helixtrans-58.2-48.2173-177.4-176.7168.8-110.1-2.2111.4D230 A231 L346 D347 E349 R353 R354 L355 L369D230-R351 PolarHBondContact O-NE 3.48Å; A231-R351 HydrophobicContact CB-CG 4.46Å; L346-R351 HydrophobicContact CD2-CB 3.98Å; L346-R351 HydrophobicContact CG-CB 4.46Å; D347-R351 PolarHBondContact O-N 3.36Å; E349-R351 VanDerWaalsContact C-N 3.35Å; R351-R353 VanDerWaalsContact C-N 3.31Å; R351-R353 PolarHBondContact O-N 2.85Å; R351-R354 PolarHBondContact O-N 2.89Å; R351-L355 HydrophobicContact CG-CD1 4.21Å; R351-L355 WeakPolarHBondContact O-CG 3.23Å; R351-L355 PolarHBondContact O-N 2.97Å; R351-L369 PolarHBondContact NH1-O 2.8Å
352K81.7Confident80.3Confident56 Ų5671.2 Ų71.224%0.24336%0.357CS..Hα-helixtrans-60.7-39.3176.1-75.2175.3-175.7165.60112.2P348 E349 E350 L355 R356P348-K352 WeakPolarHBondContact O-CG 3.19Å; P348-K352 PolarHBondContact O-N 3.41Å; E349-K352 PolarHBondContact O-N 3.4Å; E349-K352 IonicContact OE1-NZ 3.47Å; E349-K352 PolarHBondContact OE1-NZ 3.27Å; E349-K352 IonicContact OE2-NZ 3.49Å; E350-K352 PolarHBondContact O-N 3.33Å; K352-L355 PolarHBondContact O-N 3.47Å; K352-R356 WeakPolarHBondContact O-CG 3.36Å; K352-R356 PolarHBondContact O-N 3.32Å; K352-R356 VanDerWaalsContact O-N 3.09Å
353R83.6Confident78.8Confident143 Ų14373.8 Ų73.854%0.5437%0.373SS..Hα-helixtrans-60-47.9175.6-167.6-171.970.189.41.4111E349 E350 R351 R356 S357E349-R353 PolarHBondContact O-N 3.21Å; E350-R353 WeakPolarHBondContact O-CB 3.34Å; E350-R353 PolarHBondContact O-N 3.01Å; E350-R353 IonicContact OE1-CZ 3.76Å; E350-R353 IonicContact OE1-NE 3.49Å; E350-R353 PolarHBondContact OE1-NE 3.21Å; E350-R353 IonicContact OE1-NH2 3.56Å; E350-R353 PolarHBondContact OE1-NH2 2.89Å; E350-R353 IonicContact OE2-CZ 3.64Å; E350-R353 IonicContact OE2-NE 4Å; E350-R353 PolarHBondContact OE2-NE 2.98Å; E350-R353 IonicContact OE2-NH2 3.62Å; E350-R353 PolarHBondContact OE2-NH2 2.89Å; R351-R353 VanDerWaalsContact C-N 3.31Å; R351-R353 PolarHBondContact O-N 2.85Å; R353-R356 PolarHBondContact O-N 3.07Å; R353-S357 PolarHBondContact O-N 2.85Å
354R82.1Confident77.3Confident57 Ų5779 Ų7922%0.21540%0.401CS..Hα-helixtrans-66-35.1178.2-67.3-178.7-173.1-173.53.1113.1A231 E350 R351 S357 R358 A396A231-R354 HydrophobicContact CB-CB 4.02Å; A231-R354 WeakPolarHBondContact O-CD 3.31Å; E350-R354 WeakPolarHBondContact O-CG 3.35Å; E350-R354 PolarHBondContact O-N 2.92Å; E350-R354 IonicContact OE1-CZ 2.85Å; E350-R354 IonicContact OE1-NE 2.77Å; E350-R354 PolarHBondContact OE1-NE 3.38Å; E350-R354 IonicContact OE1-NH2 3.34Å; R351-R354 PolarHBondContact O-N 2.89Å; R354-S357 WeakPolarHBondContact CA-OG 3.47Å; R354-S357 PolarHBondContact O-N 2.89Å; R354-S357 PolarHBondContact O-OG 3.41Å; R354-R358 PolarHBondContact O-N 3.38Å; R354-A396 PolarHBondContact NH2-O 3.12Å
355L78.6Confident76Confident13 Ų1380.9 Ų80.97%0.06841%0.41CS..Hα-helixtrans-63.8-43.6174.3-76.7168.7000111.9A231 R351 K352 S357 R358A231-L355 HydrophobicContact CB-CD2 3.62Å; A231-L355 HydrophobicContact CB-CG 3.64Å; R351-L355 HydrophobicContact CG-CD1 4.21Å; R351-L355 WeakPolarHBondContact O-CG 3.23Å; R351-L355 PolarHBondContact O-N 2.97Å; K352-L355 PolarHBondContact O-N 3.47Å; L355-S357 VanDerWaalsContact C-N 3.28Å; L355-S357 PolarHBondContact O-N 3.47Å; L355-R358 PolarHBondContact O-N 2.89Å; L355-R358 VanDerWaalsContact O-N 3.15Å
356R77.7Confident74.9Confident186 Ų18680.1 Ų80.170%0.70240%0.403SS*.Hα-helixtrans-60.9-35.4177.8-76.6-176-83.4-153.7-1.7112.9K352 R353 R358K352-R356 WeakPolarHBondContact O-CG 3.36Å; K352-R356 PolarHBondContact O-N 3.32Å; K352-R356 VanDerWaalsContact O-N 3.09Å; R353-R356 PolarHBondContact O-N 3.07Å; R356-R358 VanDerWaalsContact C-N 3.33Å; R356-R358 PolarHBondContact O-N 3.46Å
357S72.5Confident74.2Confident93 Ų9383.5 Ų83.565%0.6542%0.418SS*.Hα-helixtrans-74.4-17.4177.751.40000114.8R353 R354 L355R353-S357 PolarHBondContact O-N 2.85Å; R354-S357 WeakPolarHBondContact CA-OG 3.47Å; R354-S357 PolarHBondContact O-N 2.89Å; R354-S357 PolarHBondContact O-OG 3.41Å; L355-S357 VanDerWaalsContact C-N 3.28Å; L355-S357 PolarHBondContact O-N 3.47Å
358R69.1Low73.6Confident109 Ų10983.2 Ų83.241%0.41141%0.414SS..Hα-helixtrans-74.9-28.5-174.9-92.4180168.3-169.6-7.9113.8R354 L355 R356 L360R354-R358 PolarHBondContact O-N 3.38Å; L355-R358 PolarHBondContact O-N 2.89Å; L355-R358 VanDerWaalsContact O-N 3.15Å; R356-R358 VanDerWaalsContact C-N 3.33Å; R356-R358 PolarHBondContact O-N 3.46Å; R358-L360 PolarHBondContact O-N 2.94Å
359G57.6Low73.4Confident78 Ų7881.5 Ų81.580%0.80440%0.403SS*.  trans57.813.817600000116.3
360L60.6Low72.8Confident132 Ų13278 Ų7869%0.69139%0.388SS*.PPolyproline II helixtrans-91.5152.9-178.7-71.2164.2000110.7R358 K362R358-L360 PolarHBondContact O-N 2.94Å; L360-K362 PolarHBondContact O-N 3.09Å
361M56.6Low72.5Confident193 Ų19383.3 Ų83.395%0.95141%0.412SS*.PPolyproline II helixtrans-59.5126.7165.4-83.4-164163.100109.3
362K63.9Low72.4Confident66 Ų6685.7 Ų85.729%0.28743%0.425SS..PPolyproline II helixtrans-82.9152176.9-67.1178.6-177.1172.30109.6L360 E366 E367 D370L360-K362 PolarHBondContact O-N 3.09Å; K362-E366 WeakPolarHBondContact CA-OE2 3.3Å; K362-E366 HydrophobicContact CB-CB 4.03Å; K362-E366 HydrophobicContact CG-CB 4.49Å; K362-E367 HydrophobicContact CB-CG 3.59Å; K362-E367 HydrophobicContact CD-CG 4.01Å; K362-E367 HydrophobicContact CG-CG 4.47Å; K362-D370 IonicContact NZ-OD2 2.8Å; K362-D370 PolarHBondContact NZ-OD2 3.39Å
363T67.3Low72.8Confident54 Ų5489.7 Ų89.733%0.33144%0.442SS..PPolyproline II helixtrans-77.3159.2164.666.60000110.3E365 E366 E367T363-E365 PolarHBondContact O-N 2.8Å; T363-E366 PolarHBondContact N-OE2 3.03Å; T363-E366 WeakPolarHBondContact O-CA 3.19Å; T363-E366 WeakPolarHBondContact O-CB 3.49Å; T363-E366 PolarHBondContact O-N 2.65Å; T363-E366 WeakPolarHBondContact OG1-CG 3.5Å; T363-E366 PolarHBondContact OG1-N 3.15Å; T363-E367 PolarHBondContact O-N 3.1Å
364D67.5Low73.1Confident129 Ų12986.2 Ų86.269%0.6943%0.434SS*.Hα-helixtrans-53.3-39.5175.7-59.3-6.2000112E367 E368D364-E367 PolarHBondContact O-N 3.07Å; D364-E368 WeakPolarHBondContact O-CB 3.15Å; D364-E368 PolarHBondContact O-N 2.89Å
365E69.8Low73.5Confident44 Ų4483.5 Ų83.521%0.20642%0.424CS..Hα-helixtrans-68.3-35.1176.3-68.4-175162.800112.3R272 R273 T363 L369R272-E365 IonicContact NH2-OE1 3.87Å; R273-E365 IonicContact CZ-OE1 2.84Å; R273-E365 IonicContact NH1-OE1 3Å; R273-E365 PolarHBondContact NH1-OE1 3.09Å; R273-E365 IonicContact NH1-OE2 2.75Å; R273-E365 IonicContact NH2-OE1 3.92Å; R273-E365 PolarHBondContact NH2-OE1 3.27Å; T363-E365 PolarHBondContact O-N 2.8Å; E365-L369 WeakPolarHBondContact O-CB 3.4Å; E365-L369 WeakPolarHBondContact O-CG 3.49Å; E365-L369 PolarHBondContact O-N 3.31Å
366E71.1Confident74.2Confident39 Ų3983.8 Ų83.818%0.18242%0.424CS..Hα-helixtrans-69.8-37.7174.5-77.4179.2165.200112.1D230 K362 T363 D370D230-E366 HydrophobicContact CB-CG 4.14Å; D230-E366 VanDerWaalsContact CG-OE1 3.22Å; K362-E366 WeakPolarHBondContact CA-OE2 3.3Å; K362-E366 HydrophobicContact CB-CB 4.03Å; K362-E366 HydrophobicContact CG-CB 4.49Å; T363-E366 PolarHBondContact N-OE2 3.03Å; T363-E366 WeakPolarHBondContact O-CA 3.19Å; T363-E366 WeakPolarHBondContact O-CB 3.49Å; T363-E366 PolarHBondContact O-N 2.65Å; T363-E366 WeakPolarHBondContact OG1-CG 3.5Å; T363-E366 PolarHBondContact OG1-N 3.15Å; E366-D370 PolarHBondContact O-N 3.34Å
367E73.9Confident74.9Confident91 Ų9177.8 Ų77.843%0.42541%0.406SS..Hα-helixtrans-64.6-45.2172.4-67-172.9171.800111K362 T363 D364 L369 D370 H371K362-E367 HydrophobicContact CB-CG 3.59Å; K362-E367 HydrophobicContact CD-CG 4.01Å; K362-E367 HydrophobicContact CG-CG 4.47Å; T363-E367 PolarHBondContact O-N 3.1Å; D364-E367 PolarHBondContact O-N 3.07Å; E367-L369 PolarHBondContact O-N 3.4Å; E367-D370 WeakPolarHBondContact O-CB 3.49Å; E367-D370 PolarHBondContact O-N 2.92Å; E367-D370 VanDerWaalsContact O-N 3.1Å; E367-H371 PolarHBondContact O-N 3.13Å
368E75.9Confident76Confident74 Ų7473.9 Ų73.935%0.34638%0.377SS..Hα-helixtrans-62.1-42.5176.6-166.6178.7179.800111.3D364 D370 H371 N372 F375D364-E368 WeakPolarHBondContact O-CB 3.15Å; D364-E368 PolarHBondContact O-N 2.89Å; E368-D370 PolarHBondContact O-N 3.32Å; E368-H371 PolarHBondContact O-N 2.59Å; E368-N372 HydrophobicContact CG-CB 3.99Å; E368-N372 WeakPolarHBondContact O-CA 3.47Å; E368-N372 WeakPolarHBondContact O-CB 3.28Å; E368-N372 PolarHBondContact O-N 2.69Å; E368-F375 HydrophobicContact CB-CD1 4.02Å; E368-F375 HydrophobicContact CB-CE1 4.16Å; E368-F375 HydrophobicContact CG-CB 4.37Å; E368-F375 HydrophobicContact CG-CD1 3.61Å; E368-F375 HydrophobicContact CG-CE1 4.11Å; E368-F375 HydrophobicContact CG-CG 4.12Å
369L77.4Confident77.3Confident0 Ų068.7 Ų68.70%036%0.357CS..Hα-helixtrans-63-22.5175.2-80.9177.3000114.5L229 Y308 R351 E365 E367 F375 R376 V379L229-L369 HydrophobicContact CD2-CD1 4.26Å; L229-L369 HydrophobicContact CD2-CD2 4.47Å; Y308-L369 HydrophobicContact CE1-CD1 3.56Å; Y308-L369 HydrophobicContact CE1-CG 4.34Å; Y308-L369 VanDerWaalsContact OH-CD1 3.28Å; Y308-L369 WeakPolarHBondContact OH-CD1 3.44Å; R351-L369 PolarHBondContact NH1-O 2.8Å; E365-L369 WeakPolarHBondContact O-CB 3.4Å; E365-L369 WeakPolarHBondContact O-CG 3.49Å; E365-L369 PolarHBondContact O-N 3.31Å; E367-L369 PolarHBondContact O-N 3.4Å; L369-F375 HydrophobicContact CD2-CD1 3.73Å; L369-F375 HydrophobicContact CD2-CE1 3.8Å; L369-F375 HydrophobicContact CG-CD1 4.02Å; L369-F375 HydrophobicContact CG-CE1 3.8Å; L369-R376 HydrophobicContact CD2-CB 4.03Å; L369-R376 HydrophobicContact CD2-CG 4.23Å; L369-V379 HydrophobicContact CD2-CB 4.44Å; L369-V379 HydrophobicContact CD2-CG2 4.11Å
370D73Confident79.1Confident33 Ų3368.2 Ų68.218%0.17633%0.334CS..Hα-helixtrans-84.6-43.3178.1-160.715.1000110.8K362 E366 E367 E368K362-D370 IonicContact NZ-OD2 2.8Å; K362-D370 PolarHBondContact NZ-OD2 3.39Å; E366-D370 PolarHBondContact O-N 3.34Å; E367-D370 WeakPolarHBondContact O-CB 3.49Å; E367-D370 PolarHBondContact O-N 2.92Å; E367-D370 VanDerWaalsContact O-N 3.1Å; E368-D370 PolarHBondContact O-N 3.32Å
371H77.8Confident80.8Confident154 Ų15463.8 Ų63.871%0.71331%0.31SS*.Hα-helixtrans-91.1-25.8-172.9-64.6-174.5000113.6E367 E368E367-H371 PolarHBondContact O-N 3.13Å; E368-H371 PolarHBondContact O-N 2.59Å
372N83.5Confident82.7Confident55 Ų5554.6 Ų54.629%0.29426%0.264SS..  trans-109.695.2-175.1-171.5-15.8000111.7E368 L374 F375 R376E368-N372 HydrophobicContact CG-CB 3.99Å; E368-N372 WeakPolarHBondContact O-CA 3.47Å; E368-N372 WeakPolarHBondContact O-CB 3.28Å; E368-N372 PolarHBondContact O-N 2.69Å; N372-L374 VanDerWaalsContact C-N 3.28Å; N372-L374 PolarHBondContact O-N 2.84Å; N372-L374 PolarHBondContact OD1-N 3.2Å; N372-L374 VanDerWaalsContact OD1-N 3.12Å; N372-F375 HydrophobicContact CB-CB 3.83Å; N372-F375 VanDerWaalsContact CG-CB 3.49Å; N372-F375 PolarHBondContact O-N 3.28Å; N372-F375 PolarHBondContact OD1-N 3.38Å; N372-R376 PolarHBondContact O-N 3Å; N372-R376 VanDerWaalsContact O-N 3.09Å
373K88.8Confident84.3Confident140 Ų14051.5 Ų51.561%0.60925%0.251SS*.Hα-helixtrans-56.7-39.9177-177.2-178.9176.6-177.10112.4R376 L377K373-R376 PolarHBondContact O-N 2.9Å; K373-L377 HydrophobicContact CG-CD1 4.13Å; K373-L377 HydrophobicContact CG-CG 4.48Å; K373-L377 VanDerWaalsContact O-CG 3.29Å; K373-L377 WeakPolarHBondContact O-CG 3.31Å; K373-L377 PolarHBondContact O-N 3.48Å
374L90.4Very high85.7Confident71 Ų7154.5 Ų54.537%0.37226%0.256SS..Hα-helixtrans-67.8-42-179.3-68.6177.3000111.1N372 R376 L377 R378N372-L374 VanDerWaalsContact C-N 3.28Å; N372-L374 PolarHBondContact O-N 2.84Å; N372-L374 PolarHBondContact OD1-N 3.2Å; N372-L374 VanDerWaalsContact OD1-N 3.12Å; L374-R376 PolarHBondContact O-N 3.32Å; L374-L377 PolarHBondContact O-N 3.49Å; L374-R378 WeakPolarHBondContact O-CG 3.23Å; L374-R378 PolarHBondContact O-N 3Å
375F91.1Very high87.1Confident0 Ų050 Ų500%023%0.23CC..Hα-helixtrans-59.3-47.2174.8179.9-123000111.8Y308 A311 E368 L369 N372 L377 R378 V379Y308-F375 HydrophobicContact CD1-CZ 4.42Å; A311-F375 HydrophobicContact CB-CD2 4.08Å; A311-F375 HydrophobicContact CB-CE2 3.76Å; E368-F375 HydrophobicContact CB-CD1 4.02Å; E368-F375 HydrophobicContact CB-CE1 4.16Å; E368-F375 HydrophobicContact CG-CB 4.37Å; E368-F375 HydrophobicContact CG-CD1 3.61Å; E368-F375 HydrophobicContact CG-CE1 4.11Å; E368-F375 HydrophobicContact CG-CG 4.12Å; L369-F375 HydrophobicContact CD2-CD1 3.73Å; L369-F375 HydrophobicContact CD2-CE1 3.8Å; L369-F375 HydrophobicContact CG-CD1 4.02Å; L369-F375 HydrophobicContact CG-CE1 3.8Å; N372-F375 HydrophobicContact CB-CB 3.83Å; N372-F375 VanDerWaalsContact CG-CB 3.49Å; N372-F375 PolarHBondContact O-N 3.28Å; N372-F375 PolarHBondContact OD1-N 3.38Å; F375-L377 PolarHBondContact O-N 3.28Å; F375-R378 WeakPolarHBondContact O-CB 3.06Å; F375-R378 PolarHBondContact O-N 3.25Å; F375-R378 VanDerWaalsContact O-N 3.13Å; F375-V379 HydrophobicContact CD2-CG2 4.32Å; F375-V379 HydrophobicContact CE1-CG2 4.34Å; F375-V379 HydrophobicContact CE2-CG2 3.94Å; F375-V379 HydrophobicContact CZ-CG2 3.96Å; F375-V379 WeakPolarHBondContact O-CG2 3.34Å; F375-V379 PolarHBondContact O-N 2.83Å
376R91.9Very high88.3Confident19 Ų1948.1 Ų48.17%0.07222%0.221CC..Hα-helixtrans-56.5-49.8175.7-173.1-17572.5-146.15.2112.5L229 L369 N372 K373 L374 R378 V379 E380L229-R376 HydrophobicContact CD1-CG 3.72Å; L369-R376 HydrophobicContact CD2-CB 4.03Å; L369-R376 HydrophobicContact CD2-CG 4.23Å; N372-R376 PolarHBondContact O-N 3Å; N372-R376 VanDerWaalsContact O-N 3.09Å; K373-R376 PolarHBondContact O-N 2.9Å; L374-R376 PolarHBondContact O-N 3.32Å; R376-R378 PolarHBondContact O-N 2.89Å; R376-V379 PolarHBondContact O-N 3.49Å; R376-V379 VanDerWaalsContact O-N 3.14Å; R376-E380 HydrophobicContact CG-CG 4.49Å; R376-E380 WeakPolarHBondContact CG-OE1 3.29Å; R376-E380 IonicContact NE-OE1 2.73Å; R376-E380 WeakPolarHBondContact O-CG 3.33Å; R376-E380 PolarHBondContact O-N 3.05Å
377L93.4Very high89.2Confident59 Ų5947.6 Ų47.631%0.30923%0.226SC..Hα-helixtrans-60.5-34.9179-70.4172000111.9V318 K373 L374 F375 E381V318-L377 HydrophobicContact CG2-CB 3.65Å; K373-L377 HydrophobicContact CG-CD1 4.13Å; K373-L377 HydrophobicContact CG-CG 4.48Å; K373-L377 VanDerWaalsContact O-CG 3.29Å; K373-L377 WeakPolarHBondContact O-CG 3.31Å; K373-L377 PolarHBondContact O-N 3.48Å; L374-L377 PolarHBondContact O-N 3.49Å; F375-L377 PolarHBondContact O-N 3.28Å; L377-E381 VanDerWaalsContact O-CB 3.25Å; L377-E381 WeakPolarHBondContact O-CB 3.29Å; L377-E381 PolarHBondContact O-N 3.19Å
378R95.3Very high89.8Confident12 Ų1246 Ų465%0.04523%0.234CC..Hα-helixtrans-68.6-40.5175.2-72.7179.5-56.5-171.416.7112.6A311 V314 T315 G316 V318 L321 L374 F375 R376 A382A311-R378 HydrophobicContact CB-CB 3.84Å; A311-R378 PolarHBondContact O-NH2 3.46Å; V314-R378 PolarHBondContact O-NH1 3.39Å; V314-R378 PolarHBondContact O-NH2 3.28Å; T315-R378 PolarHBondContact O-NH1 2.96Å; G316-R378 VanDerWaalsContact N-NH1 3.11Å; G316-R378 WeakPolarHBondContact O-CD 3.4Å; G316-R378 PolarHBondContact O-NH1 3.48Å; V318-R378 HydrophobicContact CG2-CG 4.14Å; L321-R378 HydrophobicContact CD1-CB 4.17Å; L321-R378 HydrophobicContact CD1-CG 4.26Å; L321-R378 HydrophobicContact CD2-CB 4.19Å; L321-R378 HydrophobicContact CD2-CG 4.3Å; L321-R378 HydrophobicContact CG-CB 4.36Å; L321-R378 HydrophobicContact CG-CG 4.14Å; L374-R378 WeakPolarHBondContact O-CG 3.23Å; L374-R378 PolarHBondContact O-N 3Å; F375-R378 WeakPolarHBondContact O-CB 3.06Å; F375-R378 PolarHBondContact O-N 3.25Å; F375-R378 VanDerWaalsContact O-N 3.13Å; R376-R378 PolarHBondContact O-N 2.89Å; R378-A382 WeakPolarHBondContact O-CB 3.45Å; R378-A382 PolarHBondContact O-N 2.71Å
379V95.5Very high90.6Very high0 Ų043 Ų430%022%0.221CC..Hα-helixtrans-63.6-48175.6175.30000110.4L229 A307 Y308 A311 L369 F375 R376 E381 A382 Y383L229-V379 HydrophobicContact CD2-CB 4.44Å; L229-V379 HydrophobicContact CD2-CG1 3.66Å; A307-V379 HydrophobicContact CB-CG1 4.47Å; Y308-V379 HydrophobicContact CD1-CG2 4.48Å; Y308-V379 HydrophobicContact CD2-CG1 3.89Å; Y308-V379 HydrophobicContact CE2-CG1 3.76Å; Y308-V379 HydrophobicContact CG-CG1 4.43Å; A311-V379 HydrophobicContact CB-CB 4.29Å; A311-V379 HydrophobicContact CB-CG2 3.42Å; A311-V379 VanDerWaalsContact CB-CG2 3.42Å; L369-V379 HydrophobicContact CD2-CB 4.44Å; L369-V379 HydrophobicContact CD2-CG2 4.11Å; F375-V379 HydrophobicContact CD2-CG2 4.32Å; F375-V379 HydrophobicContact CE1-CG2 4.34Å; F375-V379 HydrophobicContact CE2-CG2 3.94Å; F375-V379 HydrophobicContact CZ-CG2 3.96Å; F375-V379 WeakPolarHBondContact O-CG2 3.34Å; F375-V379 PolarHBondContact O-N 2.83Å; R376-V379 PolarHBondContact O-N 3.49Å; R376-V379 VanDerWaalsContact O-N 3.14Å; V379-E381 PolarHBondContact O-N 3.28Å; V379-A382 PolarHBondContact O-N 3.14Å; V379-Y383 HydrophobicContact CG1-CD2 3.89Å; V379-Y383 HydrophobicContact CG1-CE2 3.74Å; V379-Y383 VanDerWaalsContact O-CD2 3.29Å; V379-Y383 WeakPolarHBondContact O-CD2 3.17Å; V379-Y383 PolarHBondContact O-N 3.46Å
380E95.4Very high91.4Very high68 Ų6846 Ų4632%0.31825%0.246SC..Hα-helixtrans-58.5-46.9177.6-71.6168.7-179.400111.7L229 R376 Y383 R384L229-E380 HydrophobicContact CD1-CG 4.09Å; L229-E380 WeakPolarHBondContact CD1-OE1 3.4Å; R376-E380 HydrophobicContact CG-CG 4.49Å; R376-E380 WeakPolarHBondContact CG-OE1 3.29Å; R376-E380 IonicContact NE-OE1 2.73Å; R376-E380 WeakPolarHBondContact O-CG 3.33Å; R376-E380 PolarHBondContact O-N 3.05Å; E380-Y383 WeakPolarHBondContact O-CB 3.38Å; E380-Y383 PolarHBondContact O-N 3.24Å; E380-R384 PolarHBondContact O-N 3.31Å; E380-R384 VanDerWaalsContact O-N 3.14Å
381E96.6Very high92.4Very high38 Ų3845.7 Ų45.718%0.17825%0.246CC..Hα-helixtrans-68.8-35.8177.9179.865.918000112.3V318 L321 L377 V379 Y383 R384 R385V318-E381 HydrophobicContact CG1-CB 3.81Å; V318-E381 HydrophobicContact CG1-CG 3.58Å; L321-E381 HydrophobicContact CD1-CB 3.93Å; L321-E381 HydrophobicContact CD1-CG 3.84Å; L377-E381 VanDerWaalsContact O-CB 3.25Å; L377-E381 WeakPolarHBondContact O-CB 3.29Å; L377-E381 PolarHBondContact O-N 3.19Å; V379-E381 PolarHBondContact O-N 3.28Å; E381-Y383 VanDerWaalsContact C-N 3.35Å; E381-R384 WeakPolarHBondContact O-CB 3.43Å; E381-R384 PolarHBondContact O-N 3.22Å; E381-R384 IonicContact OE1-CZ 3.2Å; E381-R384 IonicContact OE1-NE 3.09Å; E381-R384 PolarHBondContact OE1-NE 2.98Å; E381-R384 IonicContact OE1-NH2 2.75Å; E381-R384 PolarHBondContact OE1-NH2 3.21Å; E381-R384 IonicContact OE2-CZ 3.49Å; E381-R384 IonicContact OE2-NE 3.45Å; E381-R384 PolarHBondContact OE2-NE 3.42Å; E381-R384 IonicContact OE2-NH2 3.8Å; E381-R385 HydrophobicContact CG-CG 4.45Å; E381-R385 WeakPolarHBondContact O-CG 3.37Å; E381-R385 PolarHBondContact O-N 2.93Å; E381-R385 IonicContact OE1-CZ 3.41Å; E381-R385 VanDerWaalsContact OE1-CZ 3.25Å; E381-R385 IonicContact OE1-NE 3.49Å; E381-R385 PolarHBondContact OE1-NE 2.94Å; E381-R385 IonicContact OE1-NH2 2.69Å; E381-R385 PolarHBondContact OE1-NH2 2.98Å
382A97.3Very high93.3Very high0 Ų040.7 Ų40.70%023%0.226CC..Hα-helixtrans-62.4-42.8174.700000111A307 I310 Y329 R378 V379 R384 R385 I386A307-A382 HydrophobicContact CB-CB 4.06Å; I310-A382 HydrophobicContact CB-CB 4.49Å; I310-A382 HydrophobicContact CG2-CB 4.49Å; Y329-A382 HydrophobicContact CE1-CB 4.39Å; R378-A382 WeakPolarHBondContact O-CB 3.45Å; R378-A382 PolarHBondContact O-N 2.71Å; V379-A382 PolarHBondContact O-N 3.14Å; A382-R384 VanDerWaalsContact C-N 3.3Å; A382-R384 PolarHBondContact O-N 3.27Å; A382-R385 PolarHBondContact O-N 3.47Å; A382-I386 WeakPolarHBondContact O-CG1 3.36Å; A382-I386 PolarHBondContact O-N 2.82Å
383Y97.3Very high94Very high2 Ų241.2 Ų41.21%0.00824%0.238CC..Hα-helixtrans-57.6-41.4171.8-87-68.5000112.7E227 H303 S304 A307 Y308 L343 V379 E380 E381 R385E227-Y383 HydrophobicContact CB-CE1 3.99Å; E227-Y383 HydrophobicContact CG-CE1 4.06Å; E227-Y383 WeakPolarHBondContact OE2-CE1 3.31Å; E227-Y383 PolarHBondContact OE2-OH 3.08Å; H303-Y383 HydrophobicContact CB-CD1 4.05Å; H303-Y383 HydrophobicContact CB-CE1 3.74Å; S304-Y383 WeakPolarHBondContact CA-OH 3.48Å; S304-Y383 PolarHBondContact OG-OH 2.78Å; A307-Y383 HydrophobicContact CB-CD1 3.94Å; A307-Y383 HydrophobicContact CB-CD2 3.67Å; A307-Y383 HydrophobicContact CB-CE1 4.08Å; A307-Y383 HydrophobicContact CB-CE2 3.8Å; A307-Y383 HydrophobicContact CB-CG 3.77Å; Y308-Y383 HydrophobicContact CE2-CE2 4.19Å; L343-Y383 HydrophobicContact CD1-CD1 4.07Å; L343-Y383 HydrophobicContact CD1-CD2 4.28Å; L343-Y383 HydrophobicContact CD1-CE1 4.28Å; L343-Y383 HydrophobicContact CD1-CG 4.04Å; L343-Y383 HydrophobicContact CD2-CG 4.35Å; V379-Y383 HydrophobicContact CG1-CD2 3.89Å; V379-Y383 HydrophobicContact CG1-CE2 3.74Å; V379-Y383 VanDerWaalsContact O-CD2 3.29Å; V379-Y383 WeakPolarHBondContact O-CD2 3.17Å; V379-Y383 PolarHBondContact O-N 3.46Å; E380-Y383 WeakPolarHBondContact O-CB 3.38Å; E380-Y383 PolarHBondContact O-N 3.24Å; E381-Y383 VanDerWaalsContact C-N 3.35Å; Y383-R385 VanDerWaalsContact C-N 3.34Å
384R96.1Very high94.3Very high117 Ų11735.2 Ų35.244%0.44221%0.213SC..Hα-helixtrans-64.8-37.5178.8-167-165.867.774.4-3.4112.3E324 E380 E381 A382E324-R384 IonicContact OE1-NH1 3.76Å; E324-R384 PolarHBondContact OE1-NH1 3.08Å; E324-R384 VanDerWaalsContact OE1-NH1 3.09Å; E324-R384 IonicContact OE2-CZ 2.76Å; E324-R384 IonicContact OE2-NH1 3.03Å; E324-R384 PolarHBondContact OE2-NH1 3.36Å; E324-R384 IonicContact OE2-NH2 2.82Å; E324-R384 PolarHBondContact OE2-NH2 3.08Å; E380-R384 PolarHBondContact O-N 3.31Å; E380-R384 VanDerWaalsContact O-N 3.14Å; E381-R384 WeakPolarHBondContact O-CB 3.43Å; E381-R384 PolarHBondContact O-N 3.22Å; E381-R384 IonicContact OE1-CZ 3.2Å; E381-R384 IonicContact OE1-NE 3.09Å; E381-R384 PolarHBondContact OE1-NE 2.98Å; E381-R384 IonicContact OE1-NH2 2.75Å; E381-R384 PolarHBondContact OE1-NH2 3.21Å; E381-R384 IonicContact OE2-CZ 3.49Å; E381-R384 IonicContact OE2-NE 3.45Å; E381-R384 PolarHBondContact OE2-NE 3.42Å; E381-R384 IonicContact OE2-NH2 3.8Å; A382-R384 VanDerWaalsContact C-N 3.3Å; A382-R384 PolarHBondContact O-N 3.27Å
385R96.6Very high94.6Very high35 Ų3535.4 Ų35.413%0.13221%0.214CC..Hα-helixtrans-79.7-19.1-176.8-69.8178.9-170.2179.811.3114L321 P322 E324 Y329 E381 A382 Y383 G387L321-R385 PolarHBondContact O-NH1 2.93Å; P322-R385 PolarHBondContact O-NH1 3.03Å; E324-R385 HydrophobicContact CB-CG 4.37Å; E324-R385 HydrophobicContact CG-CG 4.35Å; Y329-R385 VanDerWaalsContact CB-O 3.31Å; Y329-R385 WeakPolarHBondContact CB-O 3.36Å; Y329-R385 HydrophobicContact CD1-CB 3.71Å; Y329-R385 HydrophobicContact CD2-CB 3.91Å; Y329-R385 HydrophobicContact CE1-CB 3.61Å; Y329-R385 HydrophobicContact CE2-CB 3.79Å; Y329-R385 HydrophobicContact CE2-CG 4.36Å; Y329-R385 HydrophobicContact CG-CB 3.87Å; Y329-R385 WeakPolarHBondContact OH-CD 3.42Å; E381-R385 HydrophobicContact CG-CG 4.45Å; E381-R385 WeakPolarHBondContact O-CG 3.37Å; E381-R385 PolarHBondContact O-N 2.93Å; E381-R385 IonicContact OE1-CZ 3.41Å; E381-R385 VanDerWaalsContact OE1-CZ 3.25Å; E381-R385 IonicContact OE1-NE 3.49Å; E381-R385 PolarHBondContact OE1-NE 2.94Å; E381-R385 IonicContact OE1-NH2 2.69Å; E381-R385 PolarHBondContact OE1-NH2 2.98Å; A382-R385 PolarHBondContact O-N 3.47Å; Y383-R385 VanDerWaalsContact C-N 3.34Å; R385-G387 PolarHBondContact O-N 3.07Å
386I96Very high94.7Very high3 Ų335.6 Ų35.62%0.01522%0.216CC..  trans-59.4123.9178-73.6166.5000110.6W302 H303 A306 A307 Y329 A382W302-I386 HydrophobicContact CZ3-CD1 4.26Å; W302-I386 HydrophobicContact CZ3-CG1 4.35Å; W302-I386 HydrophobicContact CZ3-CG2 3.86Å; H303-I386 HydrophobicContact CB-CD1 4.3Å; A306-I386 HydrophobicContact CB-CD1 4.06Å; A307-I386 HydrophobicContact CB-CD1 4.21Å; Y329-I386 HydrophobicContact CD1-CG1 4.05Å; A382-I386 WeakPolarHBondContact O-CG1 3.36Å; A382-I386 PolarHBondContact O-N 2.82Å
387G90.4Very high94.7Very high28 Ų2837.3 Ų37.329%0.28923%0.23SC..  trans-107.8175.1177.400000113.2Y329 R385Y329-G387 PolarHBondContact O-N 3.49Å; R385-G387 PolarHBondContact O-N 3.07Å
388G86.4Confident94.7Very high57 Ų5736.4 Ų36.459%0.58823%0.228SC*.SBendtrans93.4-113.9-164.300000109A390G388-A390 PolarHBondContact O-N 3Å; G388-A390 VanDerWaalsContact O-N 3.09Å
389P91.9Very high94.7Very high12 Ų1239.4 Ų39.48%0.07825%0.251CS..SBendtrans-77.390.7165.833.6-29.9000109.2H303 W331 Q337 P338 V341H303-P389 PolarHBondContact NE2-O 2.68Å; W331-P389 HydrophobicContact CD2-CG 3.75Å; W331-P389 HydrophobicContact CE3-CG 3.4Å; W331-P389 HydrophobicContact CG-CG 4.4Å; W331-P389 HydrophobicContact CH2-CG 4.28Å; W331-P389 HydrophobicContact CZ3-CG 3.7Å; Q337-P389 HydrophobicContact CG-CB 4.05Å; Q337-P389 HydrophobicContact CG-CG 3.86Å; P338-P389 HydrophobicContact CG-CB 3.97Å; P338-P389 HydrophobicContact CG-CG 4.03Å; V341-P389 HydrophobicContact CG2-CB 3.9Å; V341-P389 HydrophobicContact CG2-CG 4.42Å
390A93.9Very high94.6Very high63 Ų6342 Ų4252%0.52127%0.273SS..  trans-62.6143.3179.700000111.7G388 T392G388-A390 PolarHBondContact O-N 3Å; G388-A390 VanDerWaalsContact O-N 3.09Å; A390-T392 PolarHBondContact O-N 2.98Å
391C95.8Very high94.6Very high27 Ų2744.8 Ų44.818%0.18229%0.29CS..EExtended strand (participates in β ladder)trans-68.7124.4175.1-70.20000110.9L343L343-C391 HydrophobicContact CB-CB 3.89Å; L343-C391 HydrophobicContact CD2-CB 4.18Å
392T96.6Very high94.6Very high48 Ų4846.2 Ų46.229%0.29430%0.298SS..EExtended strand (participates in β ladder)trans-92.6113.9166.6-55.10000108.9V341 I342 L343 A390 L410V341-T392 PolarHBondContact O-N 2.97Å; I342-T392 CarbonylContact C-O 3.6Å; I342-T392 WeakPolarHBondContact CA-O 3.21Å; L343-T392 PolarHBondContact N-O 3.4Å; A390-T392 PolarHBondContact O-N 2.98Å; T392-L410 HydrophobicContact CG2-CD1 3.98Å; T392-L410 HydrophobicContact CG2-CD2 3.62Å; T392-L410 HydrophobicContact CG2-CG 4.43Å
393A96.4Very high94.6Very high67 Ų6746.6 Ų46.655%0.55430%0.301SS*.EExtended strand (participates in β ladder)trans-67.9138.2179.700000111.6L343 T345L343-A393 CarbonylContact O-C 3.59Å; L343-A393 WeakPolarHBondContact O-CA 3.24Å; T345-A393 HydrophobicContact CG2-CB 4.15Å
394L96.8Very high94.6Very high14 Ų1447.8 Ų47.87%0.07331%0.307CS..EExtended strand (participates in β ladder)trans-129.2128.9172-170.887.5000108.3L237 I342 L343 L344 T345 A396 V403 Q406 A407L237-L394 HydrophobicContact CD2-CD2 4.29Å; I342-L394 HydrophobicContact CG2-CB 3.66Å; I342-L394 HydrophobicContact CG2-CD2 4.14Å; I342-L394 HydrophobicContact CG2-CG 4.42Å; L343-L394 PolarHBondContact O-N 2.87Å; L344-L394 HydrophobicContact CD2-CB 4.03Å; L344-L394 HydrophobicContact CD2-CD2 3.58Å; L344-L394 HydrophobicContact CD2-CG 4.34Å; T345-L394 PolarHBondContact N-O 3.39Å; T345-L394 PolarHBondContact OG1-O 2.73Å; T345-L394 VanDerWaalsContact OG1-O 3.05Å; L394-A396 PolarHBondContact O-N 3.39Å; L394-V403 HydrophobicContact CD2-CG1 3.67Å; L394-Q406 HydrophobicContact CD1-CB 3.84Å; L394-A407 HydrophobicContact CD2-CB 4.12Å
395D95.1Very high94.7Very high75 Ų7547.7 Ų47.740%0.40131%0.311SS..EExtended strand (participates in β ladder)trans-76121.1175.8179.319.6000110.3S397D395-S397 WeakPolarHBondContact OD1-CB 3.27Å; D395-S397 PolarHBondContact OD1-N 3.42Å; D395-S397 PolarHBondContact OD1-OG 3.13Å
396A94.8Very high94.8Very high4 Ų449.4 Ų49.43%0.03332%0.321CS..  trans-98.19.2179.700000113.4T232 L344 T345 L346 R354 L394T232-A396 WeakPolarHBondContact O-CB 3.19Å; L344-A396 HydrophobicContact CB-CB 4.35Å; T345-A396 WeakPolarHBondContact O-CB 3.41Å; T345-A396 PolarHBondContact O-N 2.85Å; L346-A396 HydrophobicContact CD1-CB 4.32Å; L346-A396 WeakPolarHBondContact CD1-O 3.33Å; R354-A396 PolarHBondContact NH2-O 3.12Å; L394-A396 PolarHBondContact O-N 3.39Å
397S91.6Very high94.9Very high54 Ų5449.2 Ų49.238%0.37832%0.32SS..SBendtrans-66.2-36.5175.5-51.50000114.1D395D395-S397 WeakPolarHBondContact OD1-CB 3.27Å; D395-S397 PolarHBondContact OD1-N 3.42Å; D395-S397 PolarHBondContact OD1-OG 3.13Å
398P93.7Very high95.2Very high41 Ų4149 Ų4927%0.26631%0.312SS..SBendtrans-69.3-176.6178.1-19.533.2000114.9L402 V403P398-L402 HydrophobicContact CB-CB 4.19Å; P398-L402 HydrophobicContact CB-CD2 3.75Å; P398-L402 HydrophobicContact CB-CG 4.29Å; P398-L402 HydrophobicContact CG-CD2 4.27Å; P398-V403 HydrophobicContact CB-CG2 4.37Å
399S93.4Very high95.7Very high74 Ų7451 Ų5152%0.51731%0.309SS..  trans-63.1152.617665.10000112.1D401 L402 V403S399-D401 PolarHBondContact O-N 3.42Å; S399-L402 PolarHBondContact O-N 2.98Å; S399-V403 WeakPolarHBondContact O-CG2 3.23Å; S399-V403 PolarHBondContact O-N 3.32Å
400A93.8Very high95.9Very high56 Ų5652 Ų5246%0.46331%0.313SS..Hα-helixtrans-54-39.8-179.900000112.6T236 V403 L404T236-A400 HydrophobicContact CG2-CB 4.17Å; A400-V403 PolarHBondContact O-N 3.23Å; A400-L404 WeakPolarHBondContact O-CB 3.34Å; A400-L404 PolarHBondContact O-N 2.93Å
401D96.1Very high96.1Very high126 Ų12649 Ų4967%0.67429%0.288SS*.Hα-helixtrans-64.6-41.2178-61.4-27.5000112.5S399 L404 Q405S399-D401 PolarHBondContact O-N 3.42Å; D401-L404 PolarHBondContact O-N 3.01Å; D401-Q405 WeakPolarHBondContact O-CB 3.49Å; D401-Q405 PolarHBondContact O-N 2.9Å
402L96.7Very high96Very high68 Ų6854.4 Ų54.436%0.35631%0.305SS..Hα-helixtrans-70.4-40.4178.8-173.361.2000111P398 S399 L404 Q405 Q406P398-L402 HydrophobicContact CB-CB 4.19Å; P398-L402 HydrophobicContact CB-CD2 3.75Å; P398-L402 HydrophobicContact CB-CG 4.29Å; P398-L402 HydrophobicContact CG-CD2 4.27Å; S399-L402 PolarHBondContact O-N 2.98Å; L402-L404 VanDerWaalsContact C-N 3.33Å; L402-L404 PolarHBondContact O-N 3.34Å; L402-Q405 PolarHBondContact O-N 2.99Å; L402-Q406 VanDerWaalsContact O-CG 3.29Å; L402-Q406 WeakPolarHBondContact O-CG 3.39Å; L402-Q406 PolarHBondContact O-N 2.99Å
403V97.1Very high95.9Very high8 Ų855.3 Ų55.35%0.04832%0.318CS..Hα-helixtrans-61.3-43.7174.9177.40000110.4L237 L394 P398 S399 A400 Q406 A407L237-V403 HydrophobicContact CD1-CG1 4.29Å; L237-V403 HydrophobicContact CD2-CG1 4.25Å; L394-V403 HydrophobicContact CD2-CG1 3.67Å; P398-V403 HydrophobicContact CB-CG2 4.37Å; S399-V403 WeakPolarHBondContact O-CG2 3.23Å; S399-V403 PolarHBondContact O-N 3.32Å; A400-V403 PolarHBondContact O-N 3.23Å; V403-Q406 PolarHBondContact O-N 3.47Å; V403-A407 WeakPolarHBondContact O-CB 3.5Å; V403-A407 PolarHBondContact O-N 2.69Å
404L98Very high95.7Very high27 Ų2758.4 Ų58.414%0.14132%0.318CS..Hα-helixtrans-60-48.4174174.564.1000111.7L237 L241 A400 D401 L402 Q406 A407 L408L237-L404 HydrophobicContact CD1-CB 4.29Å; L237-L404 HydrophobicContact CD1-CD1 4.16Å; L241-L404 HydrophobicContact CD2-CD1 3.71Å; L241-L404 HydrophobicContact CG-CD1 3.96Å; A400-L404 WeakPolarHBondContact O-CB 3.34Å; A400-L404 PolarHBondContact O-N 2.93Å; D401-L404 PolarHBondContact O-N 3.01Å; L402-L404 VanDerWaalsContact C-N 3.33Å; L402-L404 PolarHBondContact O-N 3.34Å; L404-Q406 VanDerWaalsContact C-N 3.33Å; L404-Q406 PolarHBondContact O-N 3.44Å; L404-A407 PolarHBondContact O-N 3.5Å; L404-L408 HydrophobicContact CD1-CD1 4.07Å; L404-L408 HydrophobicContact CD1-CG 4.12Å; L404-L408 HydrophobicContact CG-CD1 4.01Å; L404-L408 HydrophobicContact CG-CG 4.46Å; L404-L408 WeakPolarHBondContact O-CG 3.34Å; L404-L408 PolarHBondContact O-N 2.92Å
405Q97.9Very high95.4Very high114 Ų11458.6 Ų58.653%0.53332%0.321SS..Hα-helixtrans-58.6-45.5179.3-175.1-1775.700111.4D401 L402 L408 L409D401-Q405 WeakPolarHBondContact O-CB 3.49Å; D401-Q405 PolarHBondContact O-N 2.9Å; L402-Q405 PolarHBondContact O-N 2.99Å; Q405-L408 PolarHBondContact O-N 3.44Å; Q405-L409 HydrophobicContact CG-CD1 4.46Å; Q405-L409 WeakPolarHBondContact O-CG 3.49Å; Q405-L409 PolarHBondContact O-N 2.93Å
406Q97.9Very high94.8Very high71 Ų7163.1 Ų63.133%0.33234%0.339SS..Hα-helixtrans-65-41.8177.8-70175.2-9.500111.9L394 L402 V403 L404 L409 L410L394-Q406 HydrophobicContact CD1-CB 3.84Å; L402-Q406 VanDerWaalsContact O-CG 3.29Å; L402-Q406 WeakPolarHBondContact O-CG 3.39Å; L402-Q406 PolarHBondContact O-N 2.99Å; V403-Q406 PolarHBondContact O-N 3.47Å; L404-Q406 VanDerWaalsContact C-N 3.33Å; L404-Q406 PolarHBondContact O-N 3.44Å; Q406-L409 PolarHBondContact O-N 3.23Å; Q406-L410 WeakPolarHBondContact O-CB 3.32Å; Q406-L410 PolarHBondContact O-N 3.39Å
407A97.8Very high93.7Very high0 Ų067.3 Ų67.30%036%0.361CS..Hα-helixtrans-61.8-44.7175.300000111.7L237 L241 I342 L394 V403 L404 L409 L410 I411L237-A407 HydrophobicContact CD1-CB 3.97Å; L237-A407 HydrophobicContact CD2-CB 4.32Å; L241-A407 HydrophobicContact CD1-CB 4.44Å; L241-A407 HydrophobicContact CD2-CB 4.2Å; I342-A407 HydrophobicContact CD1-CB 4.39Å; L394-A407 HydrophobicContact CD2-CB 4.12Å; V403-A407 WeakPolarHBondContact O-CB 3.5Å; V403-A407 PolarHBondContact O-N 2.69Å; L404-A407 PolarHBondContact O-N 3.5Å; A407-L409 PolarHBondContact O-N 3.31Å; A407-L410 PolarHBondContact O-N 3Å; A407-I411 VanDerWaalsContact O-CG1 3.23Å; A407-I411 WeakPolarHBondContact O-CG1 3.28Å; A407-I411 PolarHBondContact O-N 3.48Å
408L97.8Very high93.8Very high24 Ų2468 Ų6813%0.12636%0.36CS..Hα-helixtrans-61.6-43.7176.2-73171000111.8L241 L245 L404 Q405 L410 I411 R412L241-L408 HydrophobicContact CD2-CD2 3.73Å; L241-L408 HydrophobicContact CD2-CG 4.01Å; L245-L408 HydrophobicContact CD1-CD2 4.18Å; L245-L408 HydrophobicContact CD2-CD2 3.64Å; L245-L408 HydrophobicContact CG-CD2 3.82Å; L404-L408 HydrophobicContact CD1-CD1 4.07Å; L404-L408 HydrophobicContact CD1-CG 4.12Å; L404-L408 HydrophobicContact CG-CD1 4.01Å; L404-L408 HydrophobicContact CG-CG 4.46Å; L404-L408 WeakPolarHBondContact O-CG 3.34Å; L404-L408 PolarHBondContact O-N 2.92Å; Q405-L408 PolarHBondContact O-N 3.44Å; L408-L410 VanDerWaalsContact C-N 3.31Å; L408-L410 PolarHBondContact O-N 3.39Å; L408-I411 PolarHBondContact O-N 3.38Å; L408-R412 VanDerWaalsContact O-CG 3.28Å; L408-R412 WeakPolarHBondContact O-CG 3.32Å; L408-R412 PolarHBondContact O-N 3.49Å
409L96.9Very high93.8Very high98 Ų9869.4 Ų69.451%0.51337%0.365SS..Hα-helixtrans-59.5-43.4175.5-73.8171.8000111.5Q405 Q406 A407 R412 A413Q405-L409 HydrophobicContact CG-CD1 4.46Å; Q405-L409 WeakPolarHBondContact O-CG 3.49Å; Q405-L409 PolarHBondContact O-N 2.93Å; Q406-L409 PolarHBondContact O-N 3.23Å; A407-L409 PolarHBondContact O-N 3.31Å; L409-R412 PolarHBondContact O-N 2.85Å; L409-A413 VanDerWaalsContact O-CB 3.32Å; L409-A413 WeakPolarHBondContact O-CB 3.5Å; L409-A413 PolarHBondContact O-N 3.4Å
410L96.4Very high93.9Very high33 Ų3369.1 Ų69.117%0.17336%0.356CS..Hα-helixtrans-64.2-44.1177.6-176.365.1000111.8L340 I342 T392 Q406 A407 L408 A413 K414L340-L410 HydrophobicContact CD2-CD2 4.36Å; L340-L410 HydrophobicContact CD2-CG 4.13Å; I342-L410 HydrophobicContact CD1-CD2 4.02Å; I342-L410 HydrophobicContact CG1-CD2 3.94Å; T392-L410 HydrophobicContact CG2-CD1 3.98Å; T392-L410 HydrophobicContact CG2-CD2 3.62Å; T392-L410 HydrophobicContact CG2-CG 4.43Å; Q406-L410 WeakPolarHBondContact O-CB 3.32Å; Q406-L410 PolarHBondContact O-N 3.39Å; A407-L410 PolarHBondContact O-N 3Å; L408-L410 VanDerWaalsContact C-N 3.31Å; L408-L410 PolarHBondContact O-N 3.39Å; L410-A413 PolarHBondContact O-N 3.02Å; L410-K414 HydrophobicContact CD1-CG 4.05Å; L410-K414 WeakPolarHBondContact O-CB 3.29Å; L410-K414 WeakPolarHBondContact O-CG 3.26Å; L410-K414 PolarHBondContact O-N 3.46Å
411I96.6Very high93.9Very high0 Ų069.9 Ų69.90%035%0.35CS..Hα-helixtrans-61.8-47.4177.7-69.3166.5000110.6I224 L241 L245 L340 I342 A407 L408 A413 K414 C415 L417I224-I411 HydrophobicContact CD1-CG2 4.35Å; I224-I411 HydrophobicContact CG1-CD1 4.48Å; I224-I411 HydrophobicContact CG1-CG1 4.28Å; I224-I411 HydrophobicContact CG1-CG2 4.4Å; I224-I411 HydrophobicContact CG2-CD1 4.2Å; I224-I411 HydrophobicContact CG2-CG1 4.24Å; L241-I411 HydrophobicContact CD1-CD1 4.18Å; L241-I411 HydrophobicContact CD2-CD1 3.69Å; L245-I411 HydrophobicContact CD1-CD1 4.04Å; L245-I411 HydrophobicContact CD1-CG2 4.29Å; L340-I411 HydrophobicContact CD2-CG1 3.91Å; I342-I411 HydrophobicContact CD1-CD1 4.29Å; I342-I411 HydrophobicContact CD1-CG1 4.05Å; A407-I411 VanDerWaalsContact O-CG1 3.23Å; A407-I411 WeakPolarHBondContact O-CG1 3.28Å; A407-I411 PolarHBondContact O-N 3.48Å; L408-I411 PolarHBondContact O-N 3.38Å; I411-A413 VanDerWaalsContact C-N 3.31Å; I411-A413 PolarHBondContact O-N 2.85Å; I411-K414 PolarHBondContact O-N 3.21Å; I411-C415 HydrophobicContact CG2-CB 4.3Å; I411-C415 WeakPolarHBondContact O-CA 3.42Å; I411-C415 WeakPolarHBondContact O-CB 3.31Å; I411-C415 PolarHBondContact O-N 3Å; I411-L417 HydrophobicContact CG2-CB 4.42Å; I411-L417 HydrophobicContact CG2-CD1 3.6Å
412R94.9Very high93.7Very high140 Ų14066.4 Ų66.453%0.52833%0.33SS..Hα-helixtrans-59.5-43.4176.8-68.6-179.7177.6161.62.4111.8L408 L409 K414 H416 L417L408-R412 VanDerWaalsContact O-CG 3.28Å; L408-R412 WeakPolarHBondContact O-CG 3.32Å; L408-R412 PolarHBondContact O-N 3.49Å; L409-R412 PolarHBondContact O-N 2.85Å; R412-K414 PolarHBondContact O-N 3.16Å; R412-H416 WeakPolarHBondContact O-CA 3.49Å; R412-H416 PolarHBondContact O-N 2.8Å; R412-L417 WeakPolarHBondContact CG-O 3.4Å
413A94.3Very high93.5Very high68 Ų6866.3 Ų66.356%0.56233%0.328SS*.Hα-helixtrans-67-32.6-179.100000113.7L409 L410 I411L409-A413 VanDerWaalsContact O-CB 3.32Å; L409-A413 WeakPolarHBondContact O-CB 3.5Å; L409-A413 PolarHBondContact O-N 3.4Å; L410-A413 PolarHBondContact O-N 3.02Å; I411-A413 VanDerWaalsContact C-N 3.31Å; I411-A413 PolarHBondContact O-N 2.85Å
414K92.9Very high93.3Very high131 Ų13170.4 Ų70.457%0.5735%0.348SS*.Hα-helixtrans-103.2-28.3-173.5-65.1-66.9-172.9177.20114.3L340 L410 I411 R412L340-K414 HydrophobicContact CD1-CB 4.24Å; L340-K414 HydrophobicContact CD1-CG 4.2Å; L340-K414 HydrophobicContact CD2-CB 4.32Å; L410-K414 HydrophobicContact CD1-CG 4.05Å; L410-K414 WeakPolarHBondContact O-CB 3.29Å; L410-K414 WeakPolarHBondContact O-CG 3.26Å; L410-K414 PolarHBondContact O-N 3.46Å; I411-K414 PolarHBondContact O-N 3.21Å; R412-K414 PolarHBondContact O-N 3.16Å
415C90.8Very high92.9Very high19 Ų1973.8 Ų73.813%0.12836%0.364CS..Hα-helixtrans-111.8-5.2-174.1-57.80000113.4P222 I411 L417P222-C415 HydrophobicContact CB-CB 3.84Å; P222-C415 HydrophobicContact CG-CB 4.13Å; I411-C415 HydrophobicContact CG2-CB 4.3Å; I411-C415 WeakPolarHBondContact O-CA 3.42Å; I411-C415 WeakPolarHBondContact O-CB 3.31Å; I411-C415 PolarHBondContact O-N 3Å; C415-L417 VanDerWaalsContact C-N 3.25Å; C415-L417 HydrophobicContact CB-CD1 4.4Å; C415-L417 HydrophobicContact CB-CG 4.3Å; C415-L417 PolarHBondContact O-N 2.73Å
416H82.4Confident92.5Very high169 Ų16970.4 Ų70.478%0.78235%0.35SS*.  trans56.435.8-179.1-53.1-67.3000114.1R412R412-H416 WeakPolarHBondContact O-CA 3.49Å; R412-H416 PolarHBondContact O-N 2.8Å
417L71.2Confident92Very high92 Ų9270.4 Ų70.448%0.48235%0.351SS..  trans-84.20172.9-75.7174.7000113.4P222 I224 P295 I411 R412 C415P222-L417 HydrophobicContact CG-CD1 3.42Å; P222-L417 VanDerWaalsContact CG-CD1 3.42Å; P222-L417 HydrophobicContact CG-CD2 3.65Å; P222-L417 HydrophobicContact CG-CG 3.57Å; I224-L417 HydrophobicContact CD1-CD1 4.37Å; P295-L417 HydrophobicContact CB-CD1 4.2Å; P295-L417 HydrophobicContact CG-CD1 4.17Å; P295-L417 HydrophobicContact CG-CD2 3.86Å; I411-L417 HydrophobicContact CG2-CB 4.42Å; I411-L417 HydrophobicContact CG2-CD1 3.6Å; R412-L417 WeakPolarHBondContact CG-O 3.4Å; C415-L417 VanDerWaalsContact C-N 3.25Å; C415-L417 HydrophobicContact CB-CD1 4.4Å; C415-L417 HydrophobicContact CB-CG 4.3Å; C415-L417 PolarHBondContact O-N 2.73Å

Retrieved 417 of 417 residues in 712.6 ms (Link to these results)

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