A0A087YK35_POEFO Loading...

Glucose-fructose oxidoreductase domain-containing protein 2

Promotes matrix assembly.

AlphaFold DB , UniProt , Accession A0A087YK35, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 384 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
1R47.6Very low85.7Confident293 Ų29346 Ų46100%1.10622%0.215SC*.  0114.90-133.1180-173.8-179.80.5104.3M3R1-M3 PolarHBondContact O-N 3.12Å; R1-M3 VanDerWaalsContact O-N 3.12Å
2A54.2Low86.3Confident51 Ų5144.2 Ų44.242%0.42121%0.209SC..PPolyproline II helixtrans-56.8119.7177.600000108.3H320A2-H320 WeakPolarHBondContact CB-O 3.35Å
3M77.9Confident86.5Confident128 Ų12843.6 Ų43.663%0.63122%0.222SC*.PPolyproline II helixtrans-82.4129.4176.3-80.2-179.9154.500107.5R1 Q323R1-M3 PolarHBondContact O-N 3.12Å; R1-M3 VanDerWaalsContact O-N 3.12Å; M3-Q323 HydrophobicContact CB-CG 4.04Å; M3-Q323 WeakPolarHBondContact O-CG 3.4Å
4L89.4Confident86.6Confident28 Ų2844.4 Ų44.415%0.14723%0.234CC..PPolyproline II helixtrans-64.6155.2170.4-72.1171.2000109.5G6 G27 F28 R314 F317 Q318L4-G6 PolarHBondContact O-N 3.41Å; L4-G27 WeakPolarHBondContact CD1-O 3.47Å; L4-F28 HydrophobicContact CB-CD1 4.02Å; L4-F28 HydrophobicContact CB-CE1 4.24Å; L4-F28 HydrophobicContact CD1-CD1 4.31Å; L4-F28 HydrophobicContact CD1-CD2 4.32Å; L4-F28 HydrophobicContact CD1-CE1 4.46Å; L4-F28 HydrophobicContact CD1-CE2 4.48Å; L4-F28 HydrophobicContact CD1-CG 4.25Å; L4-F28 HydrophobicContact CD2-CE1 4.19Å; L4-F28 HydrophobicContact CD2-CZ 4.32Å; L4-R314 HydrophobicContact CD1-CG 4.27Å; L4-R314 HydrophobicContact CD2-CG 4.36Å; L4-F317 HydrophobicContact CD2-CB 3.87Å; L4-Q318 HydrophobicContact CD2-CG 3.96Å
5P92.4Very high86.8Confident1 Ų144.5 Ų44.51%0.00624%0.237CC..PPolyproline II helixtrans-61.4139.1172.925.9-34.5000109.8F28 D67 L68 F317P5-F28 HydrophobicContact CG-CD1 4.32Å; P5-F28 HydrophobicContact CG-CE1 3.91Å; P5-D67 HydrophobicContact CB-CB 3.75Å; P5-L68 HydrophobicContact CB-CB 4.17Å; P5-L68 HydrophobicContact CG-CB 4.21Å; P5-F317 HydrophobicContact CG-CB 4.31Å; P5-F317 HydrophobicContact CG-CD1 3.72Å; P5-F317 HydrophobicContact CG-CD2 3.81Å; P5-F317 HydrophobicContact CG-CE1 3.92Å; P5-F317 HydrophobicContact CG-CE2 4.03Å; P5-F317 HydrophobicContact CG-CG 3.68Å; P5-F317 HydrophobicContact CG-CZ 4.09Å
6G95.7Very high87.1Confident1 Ų141.8 Ų41.81%0.0122%0.223CC..PPolyproline II helixtrans-70.3146.5168.400000110.9L4 E29 H31 D65 V66 D67 L68L4-G6 PolarHBondContact O-N 3.41Å; G6-E29 CarbonylContact C-O 3.6Å; G6-E29 WeakPolarHBondContact CA-O 3.34Å; G6-H31 VanDerWaalsContact CA-CD2 3.47Å; G6-H31 WeakPolarHBondContact CA-CD2 3.46Å; G6-D65 WeakPolarHBondContact CA-O 3.42Å; G6-V66 CarbonylContact O-C 3.58Å; G6-D67 PolarHBondContact O-N 3Å; G6-L68 PolarHBondContact O-N 3.16Å
7V97.8Very high87.5Confident0 Ų046.3 Ų46.30%024%0.236CC..EExtended strand (participates in β ladder)trans-114.2132.8-167.3-173.70000111.6V9 L23 F28 E29 V30 H31 L68V7-V9 HydrophobicContact CG1-CG2 4.05Å; V7-L23 HydrophobicContact CG1-CD1 4.05Å; V7-F28 HydrophobicContact CG2-CB 3.89Å; V7-F28 HydrophobicContact CG2-CD1 3.72Å; V7-F28 HydrophobicContact CG2-CG 4.12Å; V7-E29 PolarHBondContact N-O 3.38Å; V7-V30 HydrophobicContact CB-CG2 4.37Å; V7-V30 WeakPolarHBondContact O-CA 3.11Å; V7-H31 PolarHBondContact O-N 3.39Å; V7-L68 CarbonylContact C-O 3.54Å; V7-L68 VanDerWaalsContact CA-O 3.31Å; V7-L68 WeakPolarHBondContact CA-O 3.5Å; V7-L68 HydrophobicContact CG2-CB 4.37Å; V7-L68 HydrophobicContact CG2-CD2 4.2Å
8G98.1Very high87.7Confident0 Ų045.5 Ų45.50%023%0.234CC..EExtended strand (participates in β ladder)trans-105.3125.616600000110.2A32 L68 V69 C70G8-A32 WeakPolarHBondContact CA-O 3.11Å; G8-L68 PolarHBondContact N-O 3.5Å; G8-V69 WeakPolarHBondContact O-CA 3.39Å; G8-C70 PolarHBondContact O-N 3.33Å
9V98.1Very high88.1Confident0 Ų043.2 Ų43.20%022%0.222CC..EExtended strand (participates in β ladder)trans-106.9129.1179.71790000109.8V7 A16 V20 L23 V30 A32 L33 W34 C70V7-V9 HydrophobicContact CG1-CG2 4.05Å; V9-A16 HydrophobicContact CG1-CB 4.33Å; V9-V20 HydrophobicContact CB-CG2 4.42Å; V9-V20 HydrophobicContact CG1-CG2 4.3Å; V9-V20 HydrophobicContact CG2-CG2 3.92Å; V9-L23 HydrophobicContact CG2-CD1 4.42Å; V9-V30 HydrophobicContact CG2-CG1 3.98Å; V9-A32 PolarHBondContact N-O 3.02Å; V9-L33 HydrophobicContact CB-CD1 3.92Å; V9-L33 HydrophobicContact CG1-CD1 3.93Å; V9-L33 CarbonylContact O-C 3.53Å; V9-L33 WeakPolarHBondContact O-CA 3.5Å; V9-W34 PolarHBondContact O-N 3.01Å; V9-C70 HydrophobicContact CG2-CB 4.35Å
10F97.8Very high88.5Confident0 Ų041 Ų410%021%0.211CC..EExtended strand (participates in β ladder)trans-106.1116.7172.7-71.2-102.8000109.1W34 V60 L61 V69 C70 I71 Y72 I73 I81F10-W34 HydrophobicContact CB-CB 4.49Å; F10-W34 HydrophobicContact CB-CE3 4.15Å; F10-W34 HydrophobicContact CD1-CB 3.47Å; F10-W34 VanDerWaalsContact CD1-CB 3.47Å; F10-W34 AromaticContact CD1-CD2 3.69Å; F10-W34 HydrophobicContact CD1-CD2 3.69Å; F10-W34 AromaticContact CD1-CE3 3.84Å; F10-W34 HydrophobicContact CD1-CE3 3.84Å; F10-W34 AromaticContact CD1-CG 3.56Å; F10-W34 HydrophobicContact CD1-CG 3.56Å; F10-W34 HydrophobicContact CE1-CB 3.77Å; F10-W34 HydrophobicContact CE1-CD2 4.3Å; F10-W34 AromaticContact CE1-CG 3.82Å; F10-W34 HydrophobicContact CE1-CG 3.82Å; F10-W34 HydrophobicContact CG-CB 4.02Å; F10-W34 HydrophobicContact CG-CE3 4.46Å; F10-W34 HydrophobicContact CG-CG 4.49Å; F10-V60 HydrophobicContact CD2-CG1 4.38Å; F10-V60 HydrophobicContact CE1-CB 4.32Å; F10-V60 HydrophobicContact CE2-CB 4.11Å; F10-V60 HydrophobicContact CE2-CG1 3.49Å; F10-V60 VanDerWaalsContact CE2-CG1 3.49Å; F10-V60 HydrophobicContact CZ-CB 3.65Å; F10-V60 HydrophobicContact CZ-CG1 3.59Å; F10-L61 HydrophobicContact CE2-CD2 3.98Å; F10-L61 HydrophobicContact CZ-CD2 3.69Å; F10-L61 HydrophobicContact CZ-CG 3.88Å; F10-V69 HydrophobicContact CD2-CG1 3.33Å; F10-V69 HydrophobicContact CE2-CB 4.49Å; F10-V69 HydrophobicContact CE2-CG1 3.27Å; F10-V69 HydrophobicContact CE2-CG2 4.44Å; F10-V69 HydrophobicContact CZ-CG1 4.45Å; F10-C70 PolarHBondContact N-O 2.75Å; F10-I71 HydrophobicContact CB-CG2 4.49Å; F10-Y72 CarbonylContact O-C 3.58Å; F10-Y72 WeakPolarHBondContact O-CA 3.31Å; F10-Y72 PolarHBondContact O-N 2.91Å; F10-I73 HydrophobicContact CB-CG2 3.78Å; F10-I73 VanDerWaalsContact O-CG2 3.26Å; F10-I73 WeakPolarHBondContact O-CG2 3.47Å; F10-I81 HydrophobicContact CD1-CD1 3.34Å; F10-I81 HydrophobicContact CD1-CG2 3.86Å; F10-I81 HydrophobicContact CD2-CG2 4.15Å; F10-I81 HydrophobicContact CE1-CD1 3.72Å; F10-I81 HydrophobicContact CE1-CG2 3.72Å; F10-I81 HydrophobicContact CE2-CG2 4.03Å; F10-I81 HydrophobicContact CG-CD1 4.13Å; F10-I81 HydrophobicContact CG-CG2 4.07Å; F10-I81 HydrophobicContact CZ-CG2 3.81Å
11G94.1Very high88.8Confident4 Ų441 Ų414%0.04121%0.213CC..  trans122.6144176.500000113A16 W34G11-A16 WeakPolarHBondContact O-CB 3.3Å; G11-W34 PolarHBondContact N-O 3.2Å
12T93.2Very high91.1Very high24 Ų2428.9 Ų28.915%0.14717%0.17CC..  trans-115.812.5-17747.90000112.7L33 E40 L44T12-L33 HydrophobicContact CG2-CD2 4.42Å; T12-E40 HydrophobicContact CG2-CB 4.11Å; T12-E40 PolarHBondContact OG1-OE2 3.36Å; T12-L44 HydrophobicContact CG2-CB 4.44Å; T12-L44 HydrophobicContact CG2-CD2 4.08Å
13G88.8Confident93.1Very high37 Ų3726.5 Ų26.538%0.38115%0.15SC..SBendtrans-77.9-179.5-177.300000114.6T15 A16 R17G13-T15 VanDerWaalsContact C-N 3.28Å; G13-T15 PolarHBondContact O-N 2.93Å; G13-A16 WeakPolarHBondContact O-CB 3.45Å; G13-A16 PolarHBondContact O-N 3.15Å; G13-A16 VanDerWaalsContact O-N 3.08Å; G13-R17 PolarHBondContact O-N 2.95Å
14S87.4Confident93.9Very high55 Ų5524.1 Ų24.139%0.38514%0.138SC..Hα-helixtrans-54.6-41.1177.851.80000112.7A16 R17 V18S14-A16 VanDerWaalsContact C-N 3.32Å; S14-A16 PolarHBondContact O-N 3.45Å; S14-R17 WeakPolarHBondContact O-CB 3.44Å; S14-R17 PolarHBondContact O-N 2.92Å; S14-V18 PolarHBondContact O-N 3.29Å
15T89.6Confident94.2Very high46 Ų4628 Ų2828%0.28216%0.163SC..Hα-helixtrans-60.8-39.7177.2-48.30000112.6G13 V18 L19 Y72G13-T15 VanDerWaalsContact C-N 3.28Å; G13-T15 PolarHBondContact O-N 2.93Å; T15-V18 PolarHBondContact O-N 3.36Å; T15-L19 VanDerWaalsContact O-CB 3.26Å; T15-L19 WeakPolarHBondContact O-CB 3.28Å; T15-L19 PolarHBondContact O-N 3.4Å; T15-Y72 HydrophobicContact CG2-CD1 3.31Å; T15-Y72 HydrophobicContact CG2-CE1 3.49Å; T15-Y72 VanDerWaalsContact CG2-CE1 3.49Å; T15-Y72 HydrophobicContact CG2-CG 4.03Å
16A92Very high94.2Very high1 Ų129.4 Ų29.41%0.00817%0.169CC..Hα-helixtrans-67-38.9178.900000111.7V9 G11 G13 S14 V18 L19 V20 L44V9-A16 HydrophobicContact CG1-CB 4.33Å; G11-A16 WeakPolarHBondContact O-CB 3.3Å; G13-A16 WeakPolarHBondContact O-CB 3.45Å; G13-A16 PolarHBondContact O-N 3.15Å; G13-A16 VanDerWaalsContact O-N 3.08Å; S14-A16 VanDerWaalsContact C-N 3.32Å; S14-A16 PolarHBondContact O-N 3.45Å; A16-V18 PolarHBondContact O-N 3.31Å; A16-L19 PolarHBondContact O-N 2.62Å; A16-V20 WeakPolarHBondContact O-CG2 3.41Å; A16-V20 PolarHBondContact O-N 3.37Å; A16-L44 HydrophobicContact CB-CD2 4.26Å
17R93Very high94.2Very high118 Ų11831.5 Ų31.545%0.44519%0.191SC..Hα-helixtrans-59.3-29.9174.2-74.6-176.5179.2101.36.5113.4G13 S14 P21 L44 E47G13-R17 PolarHBondContact O-N 2.95Å; S14-R17 WeakPolarHBondContact O-CB 3.44Å; S14-R17 PolarHBondContact O-N 2.92Å; R17-P21 WeakPolarHBondContact O-CD 3.47Å; R17-P21 VanDerWaalsContact O-CG 3.3Å; R17-P21 WeakPolarHBondContact O-CG 3.48Å; R17-L44 HydrophobicContact CG-CD1 3.56Å; R17-E47 IonicContact NE-OE1 3.42Å; R17-E47 IonicContact NE-OE2 3.27Å
18V92.4Very high94.1Very high32 Ų3231.7 Ų31.719%0.19419%0.192CC..Hα-helixtrans-88.5-42.9176-179.30000111.5S14 T15 A16 P21 L22 L303 L306S14-V18 PolarHBondContact O-N 3.29Å; T15-V18 PolarHBondContact O-N 3.36Å; A16-V18 PolarHBondContact O-N 3.31Å; V18-P21 WeakPolarHBondContact O-CD 3.19Å; V18-L22 HydrophobicContact CG1-CD1 3.87Å; V18-L22 HydrophobicContact CG1-CG 4.49Å; V18-L22 VanDerWaalsContact O-CG 3.32Å; V18-L22 WeakPolarHBondContact O-CG 3.31Å; V18-L22 PolarHBondContact O-N 3.46Å; V18-L303 HydrophobicContact CB-CD2 4.39Å; V18-L303 HydrophobicContact CG1-CD2 3.55Å; V18-L303 HydrophobicContact CG2-CD2 4.07Å; V18-L306 HydrophobicContact CB-CD2 4.31Å; V18-L306 HydrophobicContact CG1-CD2 3.87Å
19L94.6Very high93.9Very high1 Ų137.5 Ų37.51%0.00522%0.219CC..Hα-helixtrans-64.4-44.4-174.4174.265.9000112.6T15 A16 L22 L23 C70 Y72 L306 V310T15-L19 VanDerWaalsContact O-CB 3.26Å; T15-L19 WeakPolarHBondContact O-CB 3.28Å; T15-L19 PolarHBondContact O-N 3.4Å; A16-L19 PolarHBondContact O-N 2.62Å; L19-L22 WeakPolarHBondContact O-CB 3.42Å; L19-L22 PolarHBondContact O-N 3.41Å; L19-L23 HydrophobicContact CD1-CD1 3.94Å; L19-L23 HydrophobicContact CD1-CG 3.94Å; L19-L23 HydrophobicContact CD2-CD1 4.24Å; L19-L23 HydrophobicContact CG-CD1 3.7Å; L19-L23 HydrophobicContact CG-CG 4.17Å; L19-L23 WeakPolarHBondContact O-CG 3.23Å; L19-L23 PolarHBondContact O-N 3.15Å; L19-C70 HydrophobicContact CD2-CB 3.89Å; L19-Y72 HydrophobicContact CD2-CD2 3.56Å; L19-Y72 HydrophobicContact CD2-CE2 3.25Å; L19-L306 HydrophobicContact CB-CD2 4.33Å; L19-L306 HydrophobicContact CD1-CD1 4.07Å; L19-L306 HydrophobicContact CD1-CG 4.47Å; L19-V310 HydrophobicContact CD1-CG2 3.8Å
20V95.9Very high93.9Very high0 Ų038 Ų380%022%0.222CC..Hα-helixtrans-61.8-50.3-175.5164.50000111.9V9 A16 L22 L23 Q24 V30 L48 I50V9-V20 HydrophobicContact CB-CG2 4.42Å; V9-V20 HydrophobicContact CG1-CG2 4.3Å; V9-V20 HydrophobicContact CG2-CG2 3.92Å; A16-V20 WeakPolarHBondContact O-CG2 3.41Å; A16-V20 PolarHBondContact O-N 3.37Å; V20-L22 VanDerWaalsContact C-N 3.28Å; V20-L22 PolarHBondContact O-N 2.91Å; V20-L23 WeakPolarHBondContact O-CB 3.47Å; V20-L23 PolarHBondContact O-N 3.28Å; V20-Q24 HydrophobicContact CG1-CG 4.47Å; V20-Q24 WeakPolarHBondContact O-CG 3.25Å; V20-Q24 PolarHBondContact O-N 2.8Å; V20-V30 HydrophobicContact CG1-CG2 4.31Å; V20-V30 HydrophobicContact CG2-CG1 4.45Å; V20-L48 HydrophobicContact CB-CD1 3.79Å; V20-L48 HydrophobicContact CG1-CB 3.92Å; V20-L48 HydrophobicContact CG1-CD1 3.78Å; V20-L48 HydrophobicContact CG1-CG 4.4Å; V20-L48 HydrophobicContact CG2-CD1 4.2Å; V20-I50 HydrophobicContact CG1-CD1 4.11Å; V20-I50 HydrophobicContact CG1-CG1 4.38Å; V20-I50 HydrophobicContact CG2-CD1 4.26Å
21P95.1Very high93.9Very high42 Ų4239.3 Ų39.327%0.27323%0.228SC..Hα-helixtrans-58.5-37.3173.7-27.935.7000113.8R17 V18 Q24 T25 L48R17-P21 WeakPolarHBondContact O-CD 3.47Å; R17-P21 VanDerWaalsContact O-CG 3.3Å; R17-P21 WeakPolarHBondContact O-CG 3.48Å; V18-P21 WeakPolarHBondContact O-CD 3.19Å; P21-Q24 PolarHBondContact O-N 3.5Å; P21-T25 VanDerWaalsContact O-CB 3.31Å; P21-T25 WeakPolarHBondContact O-CB 3.49Å; P21-T25 PolarHBondContact O-N 3.32Å; P21-T25 PolarHBondContact O-OG1 3.06Å; P21-L48 HydrophobicContact CG-CD2 4.07Å
22L95.1Very high94.1Very high38 Ų3839.1 Ų39.120%0.19923%0.226CC..Hα-helixtrans-64.5-44.6176.2-71.7174000111.6V18 L19 V20 T25 E26 L306 V310V18-L22 HydrophobicContact CG1-CD1 3.87Å; V18-L22 HydrophobicContact CG1-CG 4.49Å; V18-L22 VanDerWaalsContact O-CG 3.32Å; V18-L22 WeakPolarHBondContact O-CG 3.31Å; V18-L22 PolarHBondContact O-N 3.46Å; L19-L22 WeakPolarHBondContact O-CB 3.42Å; L19-L22 PolarHBondContact O-N 3.41Å; V20-L22 VanDerWaalsContact C-N 3.28Å; V20-L22 PolarHBondContact O-N 2.91Å; L22-T25 PolarHBondContact O-N 2.91Å; L22-E26 WeakPolarHBondContact O-CB 3.33Å; L22-E26 WeakPolarHBondContact O-CG 3.49Å; L22-E26 PolarHBondContact O-N 3.3Å; L22-L306 HydrophobicContact CD1-CB 4.27Å; L22-L306 HydrophobicContact CD1-CD2 3.86Å; L22-L306 HydrophobicContact CD1-CG 3.85Å; L22-V310 HydrophobicContact CB-CG2 4.26Å
23L96.3Very high94.3Very high0 Ų038 Ų380%022%0.219CC..Hα-helixtrans-59.2-50175.2-75.8167.5000111.2V7 V9 L19 V20 T25 E26 G27 F28 V30 V310V7-L23 HydrophobicContact CG1-CD1 4.05Å; V9-L23 HydrophobicContact CG2-CD1 4.42Å; L19-L23 HydrophobicContact CD1-CD1 3.94Å; L19-L23 HydrophobicContact CD1-CG 3.94Å; L19-L23 HydrophobicContact CD2-CD1 4.24Å; L19-L23 HydrophobicContact CG-CD1 3.7Å; L19-L23 HydrophobicContact CG-CG 4.17Å; L19-L23 WeakPolarHBondContact O-CG 3.23Å; L19-L23 PolarHBondContact O-N 3.15Å; V20-L23 WeakPolarHBondContact O-CB 3.47Å; V20-L23 PolarHBondContact O-N 3.28Å; L23-T25 VanDerWaalsContact C-N 3.35Å; L23-T25 PolarHBondContact O-N 3.07Å; L23-E26 CarbonylContact O-C 3.52Å; L23-E26 PolarHBondContact O-N 3.44Å; L23-G27 PolarHBondContact O-N 3.34Å; L23-G27 VanDerWaalsContact O-N 3.13Å; L23-F28 HydrophobicContact CB-CB 4.07Å; L23-F28 HydrophobicContact CB-CD2 4.46Å; L23-F28 HydrophobicContact CD2-CB 4.25Å; L23-F28 HydrophobicContact CD2-CD2 3.69Å; L23-F28 HydrophobicContact CD2-CE2 4.12Å; L23-F28 HydrophobicContact CD2-CG 3.95Å; L23-F28 WeakPolarHBondContact O-CB 3.27Å; L23-F28 PolarHBondContact O-N 2.79Å; L23-V30 HydrophobicContact CB-CG2 4.18Å; L23-V30 HydrophobicContact CD1-CG2 4.31Å; L23-V310 HydrophobicContact CD2-CG1 3.94Å; L23-V310 HydrophobicContact CD2-CG2 4.38Å; L23-V310 HydrophobicContact CG-CG1 4.41Å
24Q95.3Very high94.8Very high78 Ų7837.1 Ų37.136%0.36420%0.204SC..Hα-helixtrans-60.8-42.3179-71.3171.6-23.200111.9V20 P21 E26 G27 V30 L48V20-Q24 HydrophobicContact CG1-CG 4.47Å; V20-Q24 WeakPolarHBondContact O-CG 3.25Å; V20-Q24 PolarHBondContact O-N 2.8Å; P21-Q24 PolarHBondContact O-N 3.5Å; Q24-E26 VanDerWaalsContact C-N 3.28Å; Q24-E26 PolarHBondContact O-N 3.29Å; Q24-G27 WeakPolarHBondContact O-CA 3.36Å; Q24-G27 PolarHBondContact O-N 3.22Å; Q24-V30 HydrophobicContact CG-CG2 4.19Å; Q24-L48 PolarHBondContact NE2-O 3.31Å
25T94.9Very high95.2Very high111 Ų11134.5 Ų34.568%0.68119%0.186SC*.Hα-helixtrans-63.1-35.9177.3-600000112P21 L22 L23 G27P21-T25 VanDerWaalsContact O-CB 3.31Å; P21-T25 WeakPolarHBondContact O-CB 3.49Å; P21-T25 PolarHBondContact O-N 3.32Å; P21-T25 PolarHBondContact O-OG1 3.06Å; L22-T25 PolarHBondContact O-N 2.91Å; L23-T25 VanDerWaalsContact C-N 3.35Å; L23-T25 PolarHBondContact O-N 3.07Å; T25-G27 PolarHBondContact O-N 3.46Å
26E94Very high95.3Very high30 Ų3039.2 Ų39.214%0.1420%0.199CC..THydrogen-bonded Turntrans-81.80.7176.1-68.4-62156.800113.2L22 L23 Q24 F28 V310 K311 R314L22-E26 WeakPolarHBondContact O-CB 3.33Å; L22-E26 WeakPolarHBondContact O-CG 3.49Å; L22-E26 PolarHBondContact O-N 3.3Å; L23-E26 CarbonylContact O-C 3.52Å; L23-E26 PolarHBondContact O-N 3.44Å; Q24-E26 VanDerWaalsContact C-N 3.28Å; Q24-E26 PolarHBondContact O-N 3.29Å; E26-F28 HydrophobicContact CB-CD2 4.34Å; E26-V310 HydrophobicContact CB-CG1 3.84Å; E26-V310 HydrophobicContact CG-CG1 3.76Å; E26-K311 HydrophobicContact CG-CG 4.25Å; E26-K311 WeakPolarHBondContact OE1-CE 3.31Å; E26-K311 WeakPolarHBondContact OE1-CG 3.45Å; E26-R314 VanDerWaalsContact O-CD 3.25Å; E26-R314 WeakPolarHBondContact O-CD 3.26Å; E26-R314 PolarHBondContact O-NE 2.89Å; E26-R314 VanDerWaalsContact OE2-CD 3.23Å; E26-R314 WeakPolarHBondContact OE2-CD 3.41Å; E26-R314 IonicContact OE2-CZ 3.22Å; E26-R314 IonicContact OE2-NE 2.76Å; E26-R314 IonicContact OE2-NH1 3.73Å; E26-R314 PolarHBondContact OE2-NH1 3.03Å
27G94Very high95.5Very high45 Ų4540.8 Ų40.846%0.46421%0.209SC..THydrogen-bonded Turntrans94.87.7171.400000115.4L4 L23 Q24 T25L4-G27 WeakPolarHBondContact CD1-O 3.47Å; L23-G27 PolarHBondContact O-N 3.34Å; L23-G27 VanDerWaalsContact O-N 3.13Å; Q24-G27 WeakPolarHBondContact O-CA 3.36Å; Q24-G27 PolarHBondContact O-N 3.22Å; T25-G27 PolarHBondContact O-N 3.46Å
28F95.6Very high95.6Very high4 Ų438.5 Ų38.52%0.01820%0.204CC..  trans-73.9137.6172.7-70.4-86.8000110.8L4 P5 V7 L23 E26 L68 V310 L313 R314 F317L4-F28 HydrophobicContact CB-CD1 4.02Å; L4-F28 HydrophobicContact CB-CE1 4.24Å; L4-F28 HydrophobicContact CD1-CD1 4.31Å; L4-F28 HydrophobicContact CD1-CD2 4.32Å; L4-F28 HydrophobicContact CD1-CE1 4.46Å; L4-F28 HydrophobicContact CD1-CE2 4.48Å; L4-F28 HydrophobicContact CD1-CG 4.25Å; L4-F28 HydrophobicContact CD2-CE1 4.19Å; L4-F28 HydrophobicContact CD2-CZ 4.32Å; P5-F28 HydrophobicContact CG-CD1 4.32Å; P5-F28 HydrophobicContact CG-CE1 3.91Å; V7-F28 HydrophobicContact CG2-CB 3.89Å; V7-F28 HydrophobicContact CG2-CD1 3.72Å; V7-F28 HydrophobicContact CG2-CG 4.12Å; L23-F28 HydrophobicContact CB-CB 4.07Å; L23-F28 HydrophobicContact CB-CD2 4.46Å; L23-F28 HydrophobicContact CD2-CB 4.25Å; L23-F28 HydrophobicContact CD2-CD2 3.69Å; L23-F28 HydrophobicContact CD2-CE2 4.12Å; L23-F28 HydrophobicContact CD2-CG 3.95Å; L23-F28 WeakPolarHBondContact O-CB 3.27Å; L23-F28 PolarHBondContact O-N 2.79Å; E26-F28 HydrophobicContact CB-CD2 4.34Å; F28-L68 HydrophobicContact CE1-CD2 4.29Å; F28-V310 HydrophobicContact CD2-CG1 4.41Å; F28-V310 HydrophobicContact CE2-CG1 4.23Å; F28-L313 HydrophobicContact CZ-CB 4.16Å; F28-R314 HydrophobicContact CE2-CB 3.84Å; F28-R314 HydrophobicContact CZ-CB 4.18Å; F28-F317 HydrophobicContact CE1-CD2 4.19Å; F28-F317 HydrophobicContact CZ-CD2 4.35Å
29E95.6Very high95.8Very high122 Ų12243.2 Ų43.257%0.5722%0.224SC*.  trans-88.9112.7172.3-65.3-172-176.100109.4G6 V7 H31G6-E29 CarbonylContact C-O 3.6Å; G6-E29 WeakPolarHBondContact CA-O 3.34Å; V7-E29 PolarHBondContact N-O 3.38Å; E29-H31 WeakPolarHBondContact CB-NE2 3.06Å; E29-H31 PolarHBondContact O-CD2 3.13Å; E29-H31 PolarHBondContact O-N 2.76Å; E29-H31 IonicContact OE2-CE1 3.61Å; E29-H31 PolarHBondContact OE2-CE1 3.42Å; E29-H31 VanDerWaalsContact OE2-CE1 3.22Å; E29-H31 IonicContact OE2-NE2 3.87Å
30V97.6Very high95.8Very high9 Ų947.3 Ų47.36%0.05524%0.243CC..EExtended strand (participates in β ladder)trans-87.1101.6175.6-1770000108V7 V9 V20 L23 Q24 I50 P51V7-V30 HydrophobicContact CB-CG2 4.37Å; V7-V30 WeakPolarHBondContact O-CA 3.11Å; V9-V30 HydrophobicContact CG2-CG1 3.98Å; V20-V30 HydrophobicContact CG1-CG2 4.31Å; V20-V30 HydrophobicContact CG2-CG1 4.45Å; L23-V30 HydrophobicContact CB-CG2 4.18Å; L23-V30 HydrophobicContact CD1-CG2 4.31Å; Q24-V30 HydrophobicContact CG-CG2 4.19Å; V30-I50 HydrophobicContact CG1-CD1 3.88Å; V30-I50 HydrophobicContact CG1-CG1 4.04Å; V30-I50 HydrophobicContact CG1-CG2 4.18Å; V30-P51 WeakPolarHBondContact O-CD 3.33Å
31H97.8Very high95.8Very high29 Ų2947.3 Ų47.313%0.13424%0.243CC..EExtended strand (participates in β ladder)trans-85.9-35.2-175.2-65.9-70.7000112.9G6 V7 E29 P51 F52 D65 V66G6-H31 VanDerWaalsContact CA-CD2 3.47Å; G6-H31 WeakPolarHBondContact CA-CD2 3.46Å; V7-H31 PolarHBondContact O-N 3.39Å; E29-H31 WeakPolarHBondContact CB-NE2 3.06Å; E29-H31 PolarHBondContact O-CD2 3.13Å; E29-H31 PolarHBondContact O-N 2.76Å; E29-H31 IonicContact OE2-CE1 3.61Å; E29-H31 PolarHBondContact OE2-CE1 3.42Å; E29-H31 VanDerWaalsContact OE2-CE1 3.22Å; E29-H31 IonicContact OE2-NE2 3.87Å; H31-P51 WeakPolarHBondContact O-CG 3.39Å; H31-F52 VanDerWaalsContact O-CB 3.28Å; H31-F52 WeakPolarHBondContact O-CB 3.44Å; H31-F52 PolarHBondContact O-N 2.95Å; H31-F52 VanDerWaalsContact O-N 3.1Å; H31-D65 PolarHBondContact CD2-O 3.21Å; H31-V66 HydrophobicContact CB-CG2 4.14Å
32A97.8Very high95.9Very high0 Ų046.7 Ų46.70%024%0.239CC..EExtended strand (participates in β ladder)trans-137.7138.2-168.300000112.4G8 V9 F52 V60 V66G8-A32 WeakPolarHBondContact CA-O 3.11Å; V9-A32 PolarHBondContact N-O 3.02Å; A32-F52 CarbonylContact C-O 3.17Å; A32-F52 WeakPolarHBondContact CA-O 3.47Å; A32-F52 HydrophobicContact CB-CB 4.5Å; A32-F52 HydrophobicContact CB-CD1 3.8Å; A32-V60 HydrophobicContact CB-CB 4.34Å; A32-V60 HydrophobicContact CB-CG1 3.8Å; A32-V60 HydrophobicContact CB-CG2 4.11Å; A32-V66 HydrophobicContact CB-CG2 3.99Å
33L98.1Very high95.9Very high0 Ų048.9 Ų48.90%026%0.256CS..EExtended strand (participates in β ladder)trans-122128.3173.5-176.573.9000110.7V9 T12 L44 A45 I50 F52 H53 T54V9-L33 HydrophobicContact CB-CD1 3.92Å; V9-L33 HydrophobicContact CG1-CD1 3.93Å; V9-L33 CarbonylContact O-C 3.53Å; V9-L33 WeakPolarHBondContact O-CA 3.5Å; T12-L33 HydrophobicContact CG2-CD2 4.42Å; L33-L44 HydrophobicContact CD1-CD2 4.38Å; L33-L44 HydrophobicContact CD2-CB 3.8Å; L33-L44 HydrophobicContact CD2-CD2 3.96Å; L33-L44 HydrophobicContact CD2-CG 3.92Å; L33-A45 HydrophobicContact CD2-CB 4.08Å; L33-I50 HydrophobicContact CB-CD1 3.86Å; L33-I50 HydrophobicContact CB-CG2 4.11Å; L33-I50 HydrophobicContact CD1-CD1 4.14Å; L33-I50 HydrophobicContact CD2-CD1 4.15Å; L33-I50 HydrophobicContact CG-CD1 4.27Å; L33-F52 PolarHBondContact N-O 3.15Å; L33-H53 VanDerWaalsContact O-CA 3.28Å; L33-H53 WeakPolarHBondContact O-CA 3.44Å; L33-T54 PolarHBondContact O-N 3.1Å; L33-T54 VanDerWaalsContact O-N 3.12Å
34W98.1Very high95.9Very high19 Ų1949 Ų497%0.07226%0.257CS..EExtended strand (participates in β ladder)trans-101.2131.7168.9179.283.3000111V9 F10 G11 R36 T54 S55 V60 I73 M77V9-W34 PolarHBondContact O-N 3.01Å; F10-W34 HydrophobicContact CB-CB 4.49Å; F10-W34 HydrophobicContact CB-CE3 4.15Å; F10-W34 HydrophobicContact CD1-CB 3.47Å; F10-W34 VanDerWaalsContact CD1-CB 3.47Å; F10-W34 AromaticContact CD1-CD2 3.69Å; F10-W34 HydrophobicContact CD1-CD2 3.69Å; F10-W34 AromaticContact CD1-CE3 3.84Å; F10-W34 HydrophobicContact CD1-CE3 3.84Å; F10-W34 AromaticContact CD1-CG 3.56Å; F10-W34 HydrophobicContact CD1-CG 3.56Å; F10-W34 HydrophobicContact CE1-CB 3.77Å; F10-W34 HydrophobicContact CE1-CD2 4.3Å; F10-W34 AromaticContact CE1-CG 3.82Å; F10-W34 HydrophobicContact CE1-CG 3.82Å; F10-W34 HydrophobicContact CG-CB 4.02Å; F10-W34 HydrophobicContact CG-CE3 4.46Å; F10-W34 HydrophobicContact CG-CG 4.49Å; G11-W34 PolarHBondContact N-O 3.2Å; W34-R36 HydrophobicContact CH2-CB 4.49Å; W34-T54 WeakPolarHBondContact CA-O 3.39Å; W34-S55 PolarHBondContact NE1-O 3.42Å; W34-V60 HydrophobicContact CB-CG2 3.86Å; W34-I73 HydrophobicContact CE3-CG2 3.9Å; W34-I73 HydrophobicContact CZ3-CB 4.31Å; W34-I73 HydrophobicContact CZ3-CG2 3.54Å; W34-M77 HydrophobicContact CH2-CE 3.69Å; W34-M77 HydrophobicContact CZ2-CE 4.19Å
35G96.4Very high96Very high0 Ų045.3 Ų45.30%024%0.24CC..  trans-121.6163.7169.900000111.8S37 T54 S55G35-S37 VanDerWaalsContact C-N 3.33Å; G35-T54 PolarHBondContact N-O 2.93Å; G35-T54 VanDerWaalsContact N-O 3.17Å; G35-S55 WeakPolarHBondContact O-CA 3.36Å
36R92.3Very high96.1Very high145 Ų14547.7 Ų47.755%0.54724%0.241SC..SBendtrans-67.1-38.6177-180-176.8-72.2170.9-5.1111.3W34W34-R36 HydrophobicContact CH2-CB 4.49Å
37S94.8Very high96.2Very high34 Ų3451.8 Ų51.824%0.23826%0.26CS..SBendtrans-116.8158.3170.693.60000110.7G35 E39 E40 A41G35-S37 VanDerWaalsContact C-N 3.33Å; S37-E39 WeakPolarHBondContact CB-OE2 3.41Å; S37-E39 PolarHBondContact O-N 3.13Å; S37-E39 PolarHBondContact OG-N 3.18Å; S37-E39 PolarHBondContact OG-OE2 3.48Å; S37-E40 PolarHBondContact O-N 3.29Å; S37-E40 PolarHBondContact OG-N 3.12Å; S37-A41 PolarHBondContact O-N 2.9Å; S37-A41 VanDerWaalsContact O-N 3.12Å
38E95.4Very high96.3Very high70 Ų7050.8 Ų50.833%0.32724%0.244SC..Hα-helixtrans-63.3-36.2178.4-161.760.5-142.900111.1A41 C42 H53 S55E38-A41 PolarHBondContact O-N 2.97Å; E38-C42 WeakPolarHBondContact O-CB 3.26Å; E38-C42 PolarHBondContact O-N 3.24Å; E38-H53 IonicContact OE1-CD2 3.64Å; E38-H53 PolarHBondContact OE1-CD2 3.33Å; E38-S55 WeakPolarHBondContact OE2-CB 3.5Å; E38-S55 PolarHBondContact OE2-N 3.35Å; E38-S55 PolarHBondContact OE2-OG 2.87Å
39E96.3Very high96.3Very high131 Ų13153.5 Ų53.561%0.61227%0.273SS*.Hα-helixtrans-65.6-46.6178.4-56.675.1-163.300111.5S37 A41 C42 C43S37-E39 WeakPolarHBondContact CB-OE2 3.41Å; S37-E39 PolarHBondContact O-N 3.13Å; S37-E39 PolarHBondContact OG-N 3.18Å; S37-E39 PolarHBondContact OG-OE2 3.48Å; E39-A41 VanDerWaalsContact C-N 3.34Å; E39-A41 PolarHBondContact O-N 2.9Å; E39-C42 PolarHBondContact O-N 2.88Å; E39-C43 VanDerWaalsContact O-CB 3.3Å; E39-C43 WeakPolarHBondContact O-CB 3.17Å; E39-C43 PolarHBondContact O-N 3.34Å; E39-C43 PolarHBondContact O-SG 3.1Å
40E94.6Very high96.4Very high87 Ų8748.1 Ų48.141%0.40725%0.248SC..Hα-helixtrans-60.6-44.6176.7-72.1177.8-174.800111.4T12 S37 L44T12-E40 HydrophobicContact CG2-CB 4.11Å; T12-E40 PolarHBondContact OG1-OE2 3.36Å; S37-E40 PolarHBondContact O-N 3.29Å; S37-E40 PolarHBondContact OG-N 3.12Å; E40-L44 PolarHBondContact O-N 2.98Å
41A96.4Very high96.4Very high0 Ų052.4 Ų52.40%028%0.276CS..Hα-helixtrans-63.7-47.8178.500000111.2S37 E38 E39 A45 H53S37-A41 PolarHBondContact O-N 2.9Å; S37-A41 VanDerWaalsContact O-N 3.12Å; E38-A41 PolarHBondContact O-N 2.97Å; E39-A41 VanDerWaalsContact C-N 3.34Å; E39-A41 PolarHBondContact O-N 2.9Å; A41-A45 WeakPolarHBondContact O-CB 3.46Å; A41-A45 PolarHBondContact O-N 2.83Å; A41-H53 HydrophobicContact CB-CB 4.08Å
42C97.3Very high96.4Very high28 Ų2854.4 Ų54.419%0.18929%0.285CS..Hα-helixtrans-62.1-44.6179.4-176.60000112.3E38 E39 K46 H53E38-C42 WeakPolarHBondContact O-CB 3.26Å; E38-C42 PolarHBondContact O-N 3.24Å; E39-C42 PolarHBondContact O-N 2.88Å; C42-K46 WeakPolarHBondContact O-CB 3.33Å; C42-K46 VanDerWaalsContact O-CG 3.31Å; C42-K46 WeakPolarHBondContact O-CG 3.42Å; C42-K46 PolarHBondContact O-N 2.8Å; C42-K46 WeakPolarHBondContact SG-CE 3.23Å; C42-K46 PolarHBondContact SG-NZ 3.17Å; C42-K46 VanDerWaalsContact SG-NZ 3.37Å; C42-H53 VanDerWaalsContact CA-CD2 3.43Å; C42-H53 WeakPolarHBondContact CA-CD2 3.38Å; C42-H53 WeakPolarHBondContact CB-NE2 3.5Å
43C96.6Very high96.4Very high84 Ų8457.1 Ų57.157%0.56830%0.297SS*.Hα-helixtrans-59.8-52.5178.6-76.60000111.4E39 K46 E47E39-C43 VanDerWaalsContact O-CB 3.3Å; E39-C43 WeakPolarHBondContact O-CB 3.17Å; E39-C43 PolarHBondContact O-N 3.34Å; E39-C43 PolarHBondContact O-SG 3.1Å; C43-K46 PolarHBondContact O-N 2.91Å; C43-E47 WeakPolarHBondContact O-CB 3.31Å; C43-E47 PolarHBondContact O-N 3.31Å
44L96.3Very high96.3Very high2 Ų257.4 Ų57.41%0.0130%0.299CS..Hα-helixtrans-71.3-36.1-177.4-175.463.8000112.4T12 A16 R17 L33 E40 K46 E47 L48T12-L44 HydrophobicContact CG2-CB 4.44Å; T12-L44 HydrophobicContact CG2-CD2 4.08Å; A16-L44 HydrophobicContact CB-CD2 4.26Å; R17-L44 HydrophobicContact CG-CD1 3.56Å; L33-L44 HydrophobicContact CD1-CD2 4.38Å; L33-L44 HydrophobicContact CD2-CB 3.8Å; L33-L44 HydrophobicContact CD2-CD2 3.96Å; L33-L44 HydrophobicContact CD2-CG 3.92Å; E40-L44 PolarHBondContact O-N 2.98Å; L44-K46 VanDerWaalsContact C-N 3.33Å; L44-K46 PolarHBondContact O-N 3.47Å; L44-E47 WeakPolarHBondContact O-CB 3.4Å; L44-E47 PolarHBondContact O-N 3.36Å; L44-L48 HydrophobicContact CD1-CD1 3.52Å; L44-L48 HydrophobicContact CD1-CG 3.9Å; L44-L48 HydrophobicContact CD2-CD1 4.39Å; L44-L48 HydrophobicContact CG-CD1 3.81Å; L44-L48 HydrophobicContact CG-CG 4.39Å; L44-L48 WeakPolarHBondContact O-CG 3.46Å; L44-L48 PolarHBondContact O-N 3.25Å
45A97.1Very high96.3Very high2 Ų258.6 Ų58.62%0.01731%0.31CS..Hα-helixtrans-62.8-40.3175.900000112L33 A41 G49 I50 H53L33-A45 HydrophobicContact CD2-CB 4.08Å; A41-A45 WeakPolarHBondContact O-CB 3.46Å; A41-A45 PolarHBondContact O-N 2.83Å; A45-G49 WeakPolarHBondContact O-CA 3.42Å; A45-G49 PolarHBondContact O-N 3.47Å; A45-I50 HydrophobicContact CB-CB 4.06Å; A45-I50 PolarHBondContact O-N 3.17Å; A45-H53 HydrophobicContact CB-CB 3.73Å
46K96.9Very high96.3Very high160 Ų16066.4 Ų66.470%0.69634%0.34SS*.Hα-helixtrans-66-41.7173.7-75.4173.6179.9168.50112.3C42 C43 L44 L48C42-K46 WeakPolarHBondContact O-CB 3.33Å; C42-K46 VanDerWaalsContact O-CG 3.31Å; C42-K46 WeakPolarHBondContact O-CG 3.42Å; C42-K46 PolarHBondContact O-N 2.8Å; C42-K46 WeakPolarHBondContact SG-CE 3.23Å; C42-K46 PolarHBondContact SG-NZ 3.17Å; C42-K46 VanDerWaalsContact SG-NZ 3.37Å; C43-K46 PolarHBondContact O-N 2.91Å; L44-K46 VanDerWaalsContact C-N 3.33Å; L44-K46 PolarHBondContact O-N 3.47Å; K46-L48 VanDerWaalsContact C-N 3.3Å; K46-L48 PolarHBondContact O-N 2.89Å
47E95.7Very high96.5Very high116 Ų11660.8 Ų60.854%0.54232%0.323SS..Hα-helixtrans-58.8-42.1177.5-175.4-175157.800111.6R17 C43 L44R17-E47 IonicContact NE-OE1 3.42Å; R17-E47 IonicContact NE-OE2 3.27Å; C43-E47 WeakPolarHBondContact O-CB 3.31Å; C43-E47 PolarHBondContact O-N 3.31Å; L44-E47 WeakPolarHBondContact O-CB 3.4Å; L44-E47 PolarHBondContact O-N 3.36Å
48L95.6Very high96.5Very high25 Ų2562.4 Ų62.413%0.13133%0.329CS..Hα-helixtrans-104.84.6-171.6-58179000114.7V20 P21 Q24 L44 K46 I50V20-L48 HydrophobicContact CB-CD1 3.79Å; V20-L48 HydrophobicContact CG1-CB 3.92Å; V20-L48 HydrophobicContact CG1-CD1 3.78Å; V20-L48 HydrophobicContact CG1-CG 4.4Å; V20-L48 HydrophobicContact CG2-CD1 4.2Å; P21-L48 HydrophobicContact CG-CD2 4.07Å; Q24-L48 PolarHBondContact NE2-O 3.31Å; L44-L48 HydrophobicContact CD1-CD1 3.52Å; L44-L48 HydrophobicContact CD1-CG 3.9Å; L44-L48 HydrophobicContact CD2-CD1 4.39Å; L44-L48 HydrophobicContact CG-CD1 3.81Å; L44-L48 HydrophobicContact CG-CG 4.39Å; L44-L48 WeakPolarHBondContact O-CG 3.46Å; L44-L48 PolarHBondContact O-N 3.25Å; K46-L48 VanDerWaalsContact C-N 3.3Å; K46-L48 PolarHBondContact O-N 2.89Å; L48-I50 HydrophobicContact CB-CD1 4.3Å; L48-I50 HydrophobicContact CB-CG1 4.2Å
49G96.4Very high96.6Very high60 Ų6061.7 Ų61.762%0.61933%0.327SS*.THydrogen-bonded Turntrans67.234.9178.300000114.8A45A45-G49 WeakPolarHBondContact O-CA 3.42Å; A45-G49 PolarHBondContact O-N 3.47Å
50I97.4Very high96.7Very high10 Ų1055.5 Ų55.55%0.05130%0.298CS..  trans-86.9127.7179-54.8173.8000109.4V20 V30 L33 A45 L48 F52V20-I50 HydrophobicContact CG1-CD1 4.11Å; V20-I50 HydrophobicContact CG1-CG1 4.38Å; V20-I50 HydrophobicContact CG2-CD1 4.26Å; V30-I50 HydrophobicContact CG1-CD1 3.88Å; V30-I50 HydrophobicContact CG1-CG1 4.04Å; V30-I50 HydrophobicContact CG1-CG2 4.18Å; L33-I50 HydrophobicContact CB-CD1 3.86Å; L33-I50 HydrophobicContact CB-CG2 4.11Å; L33-I50 HydrophobicContact CD1-CD1 4.14Å; L33-I50 HydrophobicContact CD2-CD1 4.15Å; L33-I50 HydrophobicContact CG-CD1 4.27Å; A45-I50 HydrophobicContact CB-CB 4.06Å; A45-I50 PolarHBondContact O-N 3.17Å; L48-I50 HydrophobicContact CB-CD1 4.3Å; L48-I50 HydrophobicContact CB-CG1 4.2Å; I50-F52 WeakPolarHBondContact CG2-O 3.49Å
51P96.6Very high96.7Very high99 Ų9951.5 Ų51.564%0.64328%0.28SS*.SBendtrans-74-32.1-17027-32.3000114V30 H31V30-P51 WeakPolarHBondContact O-CD 3.33Å; H31-P51 WeakPolarHBondContact O-CG 3.39Å
52F97.7Very high96.8Very high70 Ų7057.6 Ų57.631%0.30731%0.312SS..EExtended strand (participates in β ladder)trans-120.3136.5179.7-177.1-99.9000111.8H31 A32 L33 I50 T54 D59 V60 H63H31-F52 VanDerWaalsContact O-CB 3.28Å; H31-F52 WeakPolarHBondContact O-CB 3.44Å; H31-F52 PolarHBondContact O-N 2.95Å; H31-F52 VanDerWaalsContact O-N 3.1Å; A32-F52 CarbonylContact C-O 3.17Å; A32-F52 WeakPolarHBondContact CA-O 3.47Å; A32-F52 HydrophobicContact CB-CB 4.5Å; A32-F52 HydrophobicContact CB-CD1 3.8Å; L33-F52 PolarHBondContact N-O 3.15Å; I50-F52 WeakPolarHBondContact CG2-O 3.49Å; F52-T54 HydrophobicContact CE1-CG2 3.72Å; F52-T54 HydrophobicContact CZ-CG2 4.25Å; F52-D59 HydrophobicContact CE1-CB 4.22Å; F52-D59 HydrophobicContact CZ-CB 4.09Å; F52-V60 HydrophobicContact CE1-CG2 4.49Å; F52-H63 AromaticContact CD1-CD2 3.97Å
53H97.9Very high96.7Very high57 Ų5758.2 Ų58.226%0.26431%0.312SS..EExtended strand (participates in β ladder)trans-141.1152.2175.260.7-80.5000110.5L33 E38 A41 C42 A45L33-H53 VanDerWaalsContact O-CA 3.28Å; L33-H53 WeakPolarHBondContact O-CA 3.44Å; E38-H53 IonicContact OE1-CD2 3.64Å; E38-H53 PolarHBondContact OE1-CD2 3.33Å; A41-H53 HydrophobicContact CB-CB 4.08Å; C42-H53 VanDerWaalsContact CA-CD2 3.43Å; C42-H53 WeakPolarHBondContact CA-CD2 3.38Å; C42-H53 WeakPolarHBondContact CB-NE2 3.5Å; A45-H53 HydrophobicContact CB-CB 3.73Å
54T97.8Very high96.6Very high6 Ų662.4 Ų62.44%0.03732%0.323CS..EExtended strand (participates in β ladder)trans-164.6155.9-178-1790000110.8L33 W34 G35 F52 R56 D59 V60L33-T54 PolarHBondContact O-N 3.1Å; L33-T54 VanDerWaalsContact O-N 3.12Å; W34-T54 WeakPolarHBondContact CA-O 3.39Å; G35-T54 PolarHBondContact N-O 2.93Å; G35-T54 VanDerWaalsContact N-O 3.17Å; F52-T54 HydrophobicContact CE1-CG2 3.72Å; F52-T54 HydrophobicContact CZ-CG2 4.25Å; T54-R56 WeakPolarHBondContact CG2-O 3.5Å; T54-R56 PolarHBondContact OG1-N 3.12Å; T54-D59 HydrophobicContact CG2-CB 3.92Å; T54-D59 PolarHBondContact OG1-OD2 3.2Å; T54-D59 VanDerWaalsContact OG1-OD2 3.12Å; T54-V60 HydrophobicContact CG2-CG2 3.43Å; T54-V60 VanDerWaalsContact CG2-CG2 3.43Å
55S97Very high96.5Very high45 Ų4566.6 Ų66.632%0.31535%0.345SS..SBendtrans-91-2.4166.750.60000113.8W34 G35 E38W34-S55 PolarHBondContact NE1-O 3.42Å; G35-S55 WeakPolarHBondContact O-CA 3.36Å; E38-S55 WeakPolarHBondContact OE2-CB 3.5Å; E38-S55 PolarHBondContact OE2-N 3.35Å; E38-S55 PolarHBondContact OE2-OG 2.87Å
56R96.6Very high96.5Very high163 Ų16366.5 Ų66.562%0.61534%0.344SS*.  trans-103.2117.8-179.2-63.7171.659.1141.66.8111.1T54 D58 D59T54-R56 WeakPolarHBondContact CG2-O 3.5Å; T54-R56 PolarHBondContact OG1-N 3.12Å; R56-D58 VanDerWaalsContact C-N 3.33Å; R56-D58 PolarHBondContact O-N 3Å; R56-D59 HydrophobicContact CB-CB 4.33Å; R56-D59 WeakPolarHBondContact CB-OD2 3.4Å; R56-D59 WeakPolarHBondContact CD-OD2 3.28Å; R56-D59 IonicContact NE-OD1 3.39Å; R56-D59 PolarHBondContact NE-OD1 2.87Å; R56-D59 IonicContact NE-OD2 3.63Å; R56-D59 PolarHBondContact O-N 2.91Å
57S95.6Very high96.4Very high28 Ų2859.1 Ų59.120%0.19631%0.313CS..Hα-helixtrans-61.3-39.6-175.952.20000113.4D59 V60 L61S57-D59 VanDerWaalsContact C-N 3.25Å; S57-D59 PolarHBondContact O-N 3.33Å; S57-V60 PolarHBondContact O-N 3.33Å; S57-L61 WeakPolarHBondContact O-CG 3.28Å; S57-L61 PolarHBondContact O-N 2.98Å
58D96.3Very high96.5Very high67 Ų6753.6 Ų53.636%0.35829%0.287SS..Hα-helixtrans-63.9-30.3-178.3-62.8-28.5000112.3R56 V60 L61 L62 K84R56-D58 VanDerWaalsContact C-N 3.33Å; R56-D58 PolarHBondContact O-N 3Å; D58-V60 VanDerWaalsContact C-N 3.35Å; D58-V60 PolarHBondContact O-N 3.36Å; D58-L61 PolarHBondContact O-N 2.95Å; D58-L62 VanDerWaalsContact O-CB 3.3Å; D58-L62 WeakPolarHBondContact O-CB 3.34Å; D58-L62 VanDerWaalsContact O-CG 3.26Å; D58-L62 WeakPolarHBondContact O-CG 3.41Å; D58-L62 PolarHBondContact O-N 2.94Å; D58-K84 IonicContact OD1-NZ 3.36Å; D58-K84 PolarHBondContact OD1-NZ 3.33Å; D58-K84 IonicContact OD2-NZ 3.91Å
59D97.1Very high96.6Very high56 Ų5652.4 Ų52.430%0.29928%0.281SS..Hα-helixtrans-66.6-36.8179.6-61.53000111.4F52 T54 R56 S57 H63F52-D59 HydrophobicContact CE1-CB 4.22Å; F52-D59 HydrophobicContact CZ-CB 4.09Å; T54-D59 HydrophobicContact CG2-CB 3.92Å; T54-D59 PolarHBondContact OG1-OD2 3.2Å; T54-D59 VanDerWaalsContact OG1-OD2 3.12Å; R56-D59 HydrophobicContact CB-CB 4.33Å; R56-D59 WeakPolarHBondContact CB-OD2 3.4Å; R56-D59 WeakPolarHBondContact CD-OD2 3.28Å; R56-D59 IonicContact NE-OD1 3.39Å; R56-D59 PolarHBondContact NE-OD1 2.87Å; R56-D59 IonicContact NE-OD2 3.63Å; R56-D59 PolarHBondContact O-N 2.91Å; S57-D59 VanDerWaalsContact C-N 3.25Å; S57-D59 PolarHBondContact O-N 3.33Å; D59-H63 PolarHBondContact O-N 3.19Å
60V96.9Very high96.7Very high0 Ų049.7 Ų49.70%025%0.252CS..Hα-helixtrans-72.2-42.5173.7176.30000111.2F10 A32 W34 F52 T54 S57 D58 L62 H63F10-V60 HydrophobicContact CD2-CG1 4.38Å; F10-V60 HydrophobicContact CE1-CB 4.32Å; F10-V60 HydrophobicContact CE2-CB 4.11Å; F10-V60 HydrophobicContact CE2-CG1 3.49Å; F10-V60 VanDerWaalsContact CE2-CG1 3.49Å; F10-V60 HydrophobicContact CZ-CB 3.65Å; F10-V60 HydrophobicContact CZ-CG1 3.59Å; A32-V60 HydrophobicContact CB-CB 4.34Å; A32-V60 HydrophobicContact CB-CG1 3.8Å; A32-V60 HydrophobicContact CB-CG2 4.11Å; W34-V60 HydrophobicContact CB-CG2 3.86Å; F52-V60 HydrophobicContact CE1-CG2 4.49Å; T54-V60 HydrophobicContact CG2-CG2 3.43Å; T54-V60 VanDerWaalsContact CG2-CG2 3.43Å; S57-V60 PolarHBondContact O-N 3.33Å; D58-V60 VanDerWaalsContact C-N 3.35Å; D58-V60 PolarHBondContact O-N 3.36Å; V60-L62 VanDerWaalsContact C-N 3.34Å; V60-L62 PolarHBondContact O-N 2.88Å; V60-H63 VanDerWaalsContact O-CB 3.31Å; V60-H63 WeakPolarHBondContact O-CB 3.18Å; V60-H63 PolarHBondContact O-N 3.05Å
61L96.6Very high96.7Very high4 Ų449.2 Ų49.22%0.02125%0.25CC..Hα-helixtrans-65-37.9-178.8-68.7-177.2000112.3F10 S57 D58 H63 V69 I81 K84 A85 I88 K90F10-L61 HydrophobicContact CE2-CD2 3.98Å; F10-L61 HydrophobicContact CZ-CD2 3.69Å; F10-L61 HydrophobicContact CZ-CG 3.88Å; S57-L61 WeakPolarHBondContact O-CG 3.28Å; S57-L61 PolarHBondContact O-N 2.98Å; D58-L61 PolarHBondContact O-N 2.95Å; L61-H63 VanDerWaalsContact C-N 3.32Å; L61-V69 HydrophobicContact CD2-CG2 4.1Å; L61-I81 HydrophobicContact CD2-CG2 4.35Å; L61-K84 HydrophobicContact CD1-CB 3.7Å; L61-K84 HydrophobicContact CD1-CD 4.15Å; L61-A85 HydrophobicContact CD2-CB 3.77Å; L61-I88 HydrophobicContact CB-CD1 3.72Å; L61-I88 WeakPolarHBondContact O-CD1 3.27Å; L61-K90 WeakPolarHBondContact O-CE 3.44Å
62L96.8Very high96.6Very high127 Ų12745.3 Ų45.367%0.66522%0.222SC*.THydrogen-bonded Turntrans-86.4-0.5179.8-63.5174000113.4D58 V60 Q64D58-L62 VanDerWaalsContact O-CB 3.3Å; D58-L62 WeakPolarHBondContact O-CB 3.34Å; D58-L62 VanDerWaalsContact O-CG 3.26Å; D58-L62 WeakPolarHBondContact O-CG 3.41Å; D58-L62 PolarHBondContact O-N 2.94Å; V60-L62 VanDerWaalsContact C-N 3.34Å; V60-L62 PolarHBondContact O-N 2.88Å; L62-Q64 PolarHBondContact O-N 3.1Å
63H96.6Very high96.3Very high41 Ų4142.4 Ų42.419%0.1921%0.21CC..  trans-61.9129.7176.1-162.5-73.7000110.2F52 D59 V60 L61 D65 V66 K90F52-H63 AromaticContact CD1-CD2 3.97Å; D59-H63 PolarHBondContact O-N 3.19Å; V60-H63 VanDerWaalsContact O-CB 3.31Å; V60-H63 WeakPolarHBondContact O-CB 3.18Å; V60-H63 PolarHBondContact O-N 3.05Å; L61-H63 VanDerWaalsContact C-N 3.32Å; H63-D65 VanDerWaalsContact C-N 3.34Å; H63-D65 IonicContact CE1-OD2 3.6Å; H63-D65 PolarHBondContact CE1-OD2 3.42Å; H63-D65 VanDerWaalsContact CE1-OD2 3.31Å; H63-D65 PolarHBondContact ND1-N 2.88Å; H63-D65 IonicContact ND1-OD2 3.31Å; H63-D65 PolarHBondContact O-N 3.44Å; H63-V66 HydrophobicContact CB-CB 4.19Å; H63-V66 HydrophobicContact CB-CG2 3.79Å; H63-V66 PolarHBondContact O-N 2.95Å; H63-K90 PolarHBondContact O-NZ 3.42Å
64Q94.1Very high96.1Very high173 Ų17340.4 Ų40.481%0.80820%0.202SC*.THydrogen-bonded Turntrans-67.5-37.1-170.8-65.4-176.17.200112.1L62 V66L62-Q64 PolarHBondContact O-N 3.1Å; Q64-V66 VanDerWaalsContact C-N 3.32Å; Q64-V66 PolarHBondContact O-N 3.39Å
65D94.7Very high95.8Very high89 Ų8940.1 Ų40.148%0.47620%0.2SC..THydrogen-bonded Turntrans-85.43.8-178.8-49-51.2000114G6 H31 H63G6-D65 WeakPolarHBondContact CA-O 3.42Å; H31-D65 PolarHBondContact CD2-O 3.21Å; H63-D65 VanDerWaalsContact C-N 3.34Å; H63-D65 IonicContact CE1-OD2 3.6Å; H63-D65 PolarHBondContact CE1-OD2 3.42Å; H63-D65 VanDerWaalsContact CE1-OD2 3.31Å; H63-D65 PolarHBondContact ND1-N 2.88Å; H63-D65 IonicContact ND1-OD2 3.31Å; H63-D65 PolarHBondContact O-N 3.44Å
66V96.3Very high95.5Very high0 Ų040.2 Ų40.20%020%0.201CC..  trans-98.9118.7178.2170.50000109.2G6 H31 A32 H63 Q64 V69 K90G6-V66 CarbonylContact O-C 3.58Å; H31-V66 HydrophobicContact CB-CG2 4.14Å; A32-V66 HydrophobicContact CB-CG2 3.99Å; H63-V66 HydrophobicContact CB-CB 4.19Å; H63-V66 HydrophobicContact CB-CG2 3.79Å; H63-V66 PolarHBondContact O-N 2.95Å; Q64-V66 VanDerWaalsContact C-N 3.32Å; Q64-V66 PolarHBondContact O-N 3.39Å; V66-V69 HydrophobicContact CG1-CG2 4.08Å; V66-K90 WeakPolarHBondContact O-CD 3.47Å; V66-K90 WeakPolarHBondContact O-CE 3.47Å; V66-K90 PolarHBondContact O-NZ 2.97Å
67D95.6Very high95.3Very high6 Ų635.2 Ų35.23%0.03219%0.185CC..  trans-116.7-19.4174.6-67.2-65.7000113P5 G6 N91 R324P5-D67 HydrophobicContact CB-CB 3.75Å; G6-D67 PolarHBondContact O-N 3Å; D67-N91 WeakPolarHBondContact O-CB 3.35Å; D67-N91 PolarHBondContact O-N 3.43Å; D67-N91 PolarHBondContact O-ND2 3.28Å; D67-R324 HydrophobicContact CB-CG 4.37Å; D67-R324 IonicContact OD1-CZ 3.74Å; D67-R324 IonicContact OD1-NE 2.93Å; D67-R324 PolarHBondContact OD1-NE 3.17Å; D67-R324 IonicContact OD1-NH2 3.67Å
68L96.7Very high95.3Very high0 Ų033.9 Ų33.90%018%0.176CC..EExtended strand (participates in β ladder)trans-120.2132.2175.7174.863.8000110.5P5 G6 V7 G8 F28 N91 V93 L117 F317P5-L68 HydrophobicContact CB-CB 4.17Å; P5-L68 HydrophobicContact CG-CB 4.21Å; G6-L68 PolarHBondContact O-N 3.16Å; V7-L68 CarbonylContact C-O 3.54Å; V7-L68 VanDerWaalsContact CA-O 3.31Å; V7-L68 WeakPolarHBondContact CA-O 3.5Å; V7-L68 HydrophobicContact CG2-CB 4.37Å; V7-L68 HydrophobicContact CG2-CD2 4.2Å; G8-L68 PolarHBondContact N-O 3.5Å; F28-L68 HydrophobicContact CE1-CD2 4.29Å; L68-N91 HydrophobicContact CB-CB 4.43Å; L68-N91 HydrophobicContact CD1-CB 3.66Å; L68-V93 HydrophobicContact CD1-CG2 4.13Å; L68-L117 HydrophobicContact CD1-CD2 4.43Å; L68-F317 HydrophobicContact CD1-CZ 4.45Å; L68-F317 HydrophobicContact CD2-CE2 4.04Å
69V97.8Very high95.2Very high0 Ų034.5 Ų34.50%017%0.173CC..EExtended strand (participates in β ladder)trans-114.5124.3178.2-179.40000110.6G8 F10 L61 V66 I71 A85 K90 N91 V92 V93G8-V69 WeakPolarHBondContact O-CA 3.39Å; F10-V69 HydrophobicContact CD2-CG1 3.33Å; F10-V69 HydrophobicContact CE2-CB 4.49Å; F10-V69 HydrophobicContact CE2-CG1 3.27Å; F10-V69 HydrophobicContact CE2-CG2 4.44Å; F10-V69 HydrophobicContact CZ-CG1 4.45Å; L61-V69 HydrophobicContact CD2-CG2 4.1Å; V66-V69 HydrophobicContact CG1-CG2 4.08Å; V69-I71 HydrophobicContact CG1-CD1 4.3Å; V69-I71 HydrophobicContact CG1-CG1 3.75Å; V69-A85 HydrophobicContact CG2-CB 4.33Å; V69-K90 HydrophobicContact CG2-CB 4.09Å; V69-K90 HydrophobicContact CG2-CG 4.46Å; V69-N91 PolarHBondContact N-O 2.84Å; V69-V92 WeakPolarHBondContact O-CA 3.34Å; V69-V93 PolarHBondContact O-N 3.38Å
70C97.9Very high95.1Very high2 Ų236.7 Ų36.71%0.01418%0.182CC..EExtended strand (participates in β ladder)trans-105.8114.3175.5-69.20000110.1G8 V9 F10 L19 Y72 V93G8-C70 PolarHBondContact O-N 3.33Å; V9-C70 HydrophobicContact CG2-CB 4.35Å; F10-C70 PolarHBondContact N-O 2.75Å; L19-C70 HydrophobicContact CD2-CB 3.89Å; C70-Y72 HydrophobicContact CB-CD2 4.28Å; C70-Y72 HydrophobicContact CB-CE2 4.12Å; C70-V93 CarbonylContact C-O 3.53Å; C70-V93 WeakPolarHBondContact CA-O 3.47Å
71I97.4Very high95.1Very high0 Ų037 Ų370%018%0.183CC..EExtended strand (participates in β ladder)trans-107.4105.2-171.8-51.6174.1000110.6F10 V69 I73 T78 I81 A82 V92 V93 C94 E95F10-I71 HydrophobicContact CB-CG2 4.49Å; V69-I71 HydrophobicContact CG1-CD1 4.3Å; V69-I71 HydrophobicContact CG1-CG1 3.75Å; I71-I73 HydrophobicContact CG2-CD1 3.87Å; I71-I73 HydrophobicContact CG2-CG1 3.75Å; I71-T78 HydrophobicContact CG2-CG2 3.99Å; I71-I81 HydrophobicContact CD1-CB 4.05Å; I71-I81 HydrophobicContact CD1-CG2 3.8Å; I71-I81 HydrophobicContact CG1-CG2 4.18Å; I71-A82 HydrophobicContact CD1-CB 3.82Å; I71-V92 HydrophobicContact CD1-CG1 3.75Å; I71-V92 HydrophobicContact CG1-CG1 4.48Å; I71-V93 PolarHBondContact N-O 2.82Å; I71-C94 HydrophobicContact CB-CB 4.29Å; I71-C94 HydrophobicContact CD1-CB 4.42Å; I71-E95 PolarHBondContact O-N 3.12Å
72Y94.4Very high95.1Very high17 Ų1736.8 Ų36.87%0.06718%0.182CC..  trans-128.560.4179.6-70.6-87.6000110.6F10 T15 L19 C70 E95F10-Y72 CarbonylContact O-C 3.58Å; F10-Y72 WeakPolarHBondContact O-CA 3.31Å; F10-Y72 PolarHBondContact O-N 2.91Å; T15-Y72 HydrophobicContact CG2-CD1 3.31Å; T15-Y72 HydrophobicContact CG2-CE1 3.49Å; T15-Y72 VanDerWaalsContact CG2-CE1 3.49Å; T15-Y72 HydrophobicContact CG2-CG 4.03Å; L19-Y72 HydrophobicContact CD2-CD2 3.56Å; L19-Y72 HydrophobicContact CD2-CE2 3.25Å; C70-Y72 HydrophobicContact CB-CD2 4.28Å; C70-Y72 HydrophobicContact CB-CE2 4.12Å; Y72-E95 HydrophobicContact CD1-CB 4.07Å; Y72-E95 HydrophobicContact CD1-CG 4.27Å; Y72-E95 HydrophobicContact CE1-CB 4.25Å; Y72-E95 HydrophobicContact CE1-CG 4.31Å
73I93.2Very high95.1Very high9 Ų933 Ų335%0.04616%0.164CC..SBendtrans-120.3170.3-17968.8-177.1000109F10 W34 I71 M77 T78 I81F10-I73 HydrophobicContact CB-CG2 3.78Å; F10-I73 VanDerWaalsContact O-CG2 3.26Å; F10-I73 WeakPolarHBondContact O-CG2 3.47Å; W34-I73 HydrophobicContact CE3-CG2 3.9Å; W34-I73 HydrophobicContact CZ3-CB 4.31Å; W34-I73 HydrophobicContact CZ3-CG2 3.54Å; I71-I73 HydrophobicContact CG2-CD1 3.87Å; I71-I73 HydrophobicContact CG2-CG1 3.75Å; I73-M77 HydrophobicContact CD1-CB 3.55Å; I73-M77 HydrophobicContact CG1-CB 4.05Å; I73-T78 HydrophobicContact CG1-CG2 3.77Å; I73-I81 HydrophobicContact CD1-CD1 3.37Å; I73-I81 HydrophobicContact CD1-CG1 4.05Å
74P91.8Very high95.1Very high15 Ų1534.3 Ų34.310%0.09717%0.169CC..  trans-51.9138.3178-28.937.4000112.6S76 M77 W164P74-S76 PolarHBondContact O-N 2.94Å; P74-M77 PolarHBondContact O-N 3.45Å; P74-W164 HydrophobicContact CB-CB 4.16Å; P74-W164 HydrophobicContact CB-CD2 4.08Å; P74-W164 HydrophobicContact CB-CG 3.76Å; P74-W164 HydrophobicContact CG-CG 3.98Å
75P92.3Very high95.3Very high1 Ų126.1 Ų26.11%0.00613%0.131CC..Hα-helixtrans-54.7-29-171.2-29.535.9000115.2M77 T78 K96 A98 W164P75-M77 PolarHBondContact O-N 3.05Å; P75-T78 PolarHBondContact O-N 3.43Å; P75-T78 PolarHBondContact O-OG1 3.15Å; P75-K96 HydrophobicContact CB-CG 4.05Å; P75-K96 HydrophobicContact CG-CD 4.21Å; P75-K96 HydrophobicContact CG-CG 3.83Å; P75-A98 HydrophobicContact CB-CB 3.93Å; P75-A98 PolarHBondContact O-N 2.88Å; P75-W164 VanDerWaalsContact CD-CZ3 3.49Å; P75-W164 HydrophobicContact CG-CE3 4.23Å; P75-W164 HydrophobicContact CG-CH2 4.35Å; P75-W164 HydrophobicContact CG-CZ3 3.81Å
76S90.8Very high95.4Very high46 Ų4621.9 Ų21.932%0.32211%0.108SC..Hα-helixtrans-69.7-18.3179.158.30000114P74P74-S76 PolarHBondContact O-N 2.94Å
77M92.4Very high95.3Very high59 Ų5923.6 Ų23.629%0.29113%0.126SC..Hα-helixtrans-99.4-15.6-178.3-61.8-17967.800112.9W34 I73 P74 P75 R79 Q80W34-M77 HydrophobicContact CH2-CE 3.69Å; W34-M77 HydrophobicContact CZ2-CE 4.19Å; I73-M77 HydrophobicContact CD1-CB 3.55Å; I73-M77 HydrophobicContact CG1-CB 4.05Å; P74-M77 PolarHBondContact O-N 3.45Å; P75-M77 PolarHBondContact O-N 3.05Å; M77-R79 PolarHBondContact O-N 3.12Å; M77-Q80 PolarHBondContact O-N 3.3Å
78T94.8Very high95.3Very high0 Ų027.1 Ų27.10%014%0.144CC..Hα-helixtrans-65.6-42.5-16857.10000112.9I71 I73 P75 Q80 I81 A82 K96I71-T78 HydrophobicContact CG2-CG2 3.99Å; I73-T78 HydrophobicContact CG1-CG2 3.77Å; P75-T78 PolarHBondContact O-N 3.43Å; P75-T78 PolarHBondContact O-OG1 3.15Å; T78-Q80 VanDerWaalsContact C-N 3.32Å; T78-Q80 PolarHBondContact O-N 3.48Å; T78-I81 PolarHBondContact O-N 2.91Å; T78-A82 WeakPolarHBondContact O-CB 3.17Å; T78-A82 PolarHBondContact O-N 3.22Å; T78-K96 WeakPolarHBondContact CB-O 3.42Å; T78-K96 VanDerWaalsContact CG2-O 3.25Å; T78-K96 WeakPolarHBondContact CG2-O 3.47Å; T78-K96 PolarHBondContact OG1-O 2.89Å
79R95.3Very high95.2Very high80 Ų8028.4 Ų28.430%0.30216%0.157SC..Hα-helixtrans-51.4-50.6178175.1-16959.290.81.8112.1M77 I81 A82 V83 D102 K105 M106M77-R79 PolarHBondContact O-N 3.12Å; R79-I81 VanDerWaalsContact C-N 3.26Å; R79-I81 PolarHBondContact O-N 2.91Å; R79-A82 PolarHBondContact O-N 3.4Å; R79-V83 HydrophobicContact CG-CG2 3.99Å; R79-V83 WeakPolarHBondContact O-CB 3.41Å; R79-V83 VanDerWaalsContact O-CG2 3.29Å; R79-V83 WeakPolarHBondContact O-CG2 3.33Å; R79-V83 PolarHBondContact O-N 3.47Å; R79-D102 HydrophobicContact CB-CB 4Å; R79-D102 WeakPolarHBondContact CD-OD1 3.41Å; R79-D102 HydrophobicContact CG-CB 4.48Å; R79-D102 IonicContact CZ-OD1 3.78Å; R79-D102 IonicContact NE-OD1 2.74Å; R79-D102 PolarHBondContact NE-OD1 3.07Å; R79-K105 VanDerWaalsContact CD-CD 3.5Å; R79-K105 HydrophobicContact CG-CB 4.06Å; R79-M106 HydrophobicContact CB-CG 4.22Å; R79-M106 HydrophobicContact CB-SD 4.33Å; R79-M106 HydrophobicContact CG-CG 4.16Å
80Q94.4Very high95.1Very high102 Ų10229.1 Ų29.148%0.47716%0.16SC..Hα-helixtrans-60.5-41.2-172.4-174.1-178.113.200110.9M77 T78 K84M77-Q80 PolarHBondContact O-N 3.3Å; T78-Q80 VanDerWaalsContact C-N 3.32Å; T78-Q80 PolarHBondContact O-N 3.48Å; Q80-K84 HydrophobicContact CG-CD 4.49Å; Q80-K84 WeakPolarHBondContact O-CB 3.43Å; Q80-K84 VanDerWaalsContact O-CG 3.25Å; Q80-K84 WeakPolarHBondContact O-CG 3.25Å; Q80-K84 PolarHBondContact O-N 3.43Å
81I96.8Very high95.1Very high5 Ų529 Ų293%0.02616%0.16CC..Hα-helixtrans-74.7-45.6-179.6-52.6-163.5000110.6F10 L61 I71 I73 T78 R79 V83 K84 A85F10-I81 HydrophobicContact CD1-CD1 3.34Å; F10-I81 HydrophobicContact CD1-CG2 3.86Å; F10-I81 HydrophobicContact CD2-CG2 4.15Å; F10-I81 HydrophobicContact CE1-CD1 3.72Å; F10-I81 HydrophobicContact CE1-CG2 3.72Å; F10-I81 HydrophobicContact CE2-CG2 4.03Å; F10-I81 HydrophobicContact CG-CD1 4.13Å; F10-I81 HydrophobicContact CG-CG2 4.07Å; F10-I81 HydrophobicContact CZ-CG2 3.81Å; L61-I81 HydrophobicContact CD2-CG2 4.35Å; I71-I81 HydrophobicContact CD1-CB 4.05Å; I71-I81 HydrophobicContact CD1-CG2 3.8Å; I71-I81 HydrophobicContact CG1-CG2 4.18Å; I73-I81 HydrophobicContact CD1-CD1 3.37Å; I73-I81 HydrophobicContact CD1-CG1 4.05Å; T78-I81 PolarHBondContact O-N 2.91Å; R79-I81 VanDerWaalsContact C-N 3.26Å; R79-I81 PolarHBondContact O-N 2.91Å; I81-V83 PolarHBondContact O-N 3.07Å; I81-K84 PolarHBondContact O-N 2.86Å; I81-A85 VanDerWaalsContact O-CB 3.27Å; I81-A85 WeakPolarHBondContact O-CB 3.38Å; I81-A85 PolarHBondContact O-N 3.26Å
82A97.3Very high95.1Very high0 Ų029 Ų290%016%0.16CC..Hα-helixtrans-60.2-46.8-179.400000112.2I71 T78 R79 A85 L86 V92 M106 F337I71-A82 HydrophobicContact CD1-CB 3.82Å; T78-A82 WeakPolarHBondContact O-CB 3.17Å; T78-A82 PolarHBondContact O-N 3.22Å; R79-A82 PolarHBondContact O-N 3.4Å; A82-A85 PolarHBondContact O-N 2.74Å; A82-L86 WeakPolarHBondContact O-CG 3.01Å; A82-L86 PolarHBondContact O-N 3.23Å; A82-V92 HydrophobicContact CB-CG1 4.13Å; A82-M106 HydrophobicContact CB-CE 3.96Å; A82-M106 HydrophobicContact CB-CG 4.25Å; A82-M106 HydrophobicContact CB-SD 4.44Å; A82-F337 HydrophobicContact CB-CE2 4.45Å; A82-F337 HydrophobicContact CB-CZ 4.28Å
83V96.8Very high95.2Very high47 Ų4728.2 Ų28.229%0.28516%0.156SC..Hα-helixtrans-65.6-42.5179.2172.50000111.2R79 I81 G87 M106 A109R79-V83 HydrophobicContact CG-CG2 3.99Å; R79-V83 WeakPolarHBondContact O-CB 3.41Å; R79-V83 VanDerWaalsContact O-CG2 3.29Å; R79-V83 WeakPolarHBondContact O-CG2 3.33Å; R79-V83 PolarHBondContact O-N 3.47Å; I81-V83 PolarHBondContact O-N 3.07Å; V83-G87 PolarHBondContact O-N 2.93Å; V83-M106 HydrophobicContact CG2-CG 4.36Å; V83-A109 HydrophobicContact CB-CB 4.3Å; V83-A109 HydrophobicContact CG1-CB 4.07Å; V83-A109 HydrophobicContact CG2-CB 3.99Å
84K96.8Very high95.3Very high70 Ų7027.8 Ų27.830%0.30415%0.154SC..Hα-helixtrans-62-48.3175.9-79.8-179.9168.2-165.60111.4D58 L61 Q80 I81 L86 G87 I88D58-K84 IonicContact OD1-NZ 3.36Å; D58-K84 PolarHBondContact OD1-NZ 3.33Å; D58-K84 IonicContact OD2-NZ 3.91Å; L61-K84 HydrophobicContact CD1-CB 3.7Å; L61-K84 HydrophobicContact CD1-CD 4.15Å; Q80-K84 HydrophobicContact CG-CD 4.49Å; Q80-K84 WeakPolarHBondContact O-CB 3.43Å; Q80-K84 VanDerWaalsContact O-CG 3.25Å; Q80-K84 WeakPolarHBondContact O-CG 3.25Å; Q80-K84 PolarHBondContact O-N 3.43Å; I81-K84 PolarHBondContact O-N 2.86Å; K84-L86 PolarHBondContact O-N 3.13Å; K84-G87 PolarHBondContact O-N 3.05Å; K84-G87 VanDerWaalsContact O-N 3.12Å; K84-I88 WeakPolarHBondContact O-CG1 3.5Å; K84-I88 PolarHBondContact O-N 3.26Å; K84-I88 VanDerWaalsContact O-N 3.1Å
85A97.2Very high95.1Very high0 Ų029.3 Ų29.30%016%0.16CC..Hα-helixtrans-57.5-48.1-179.300000111.9L61 V69 I81 A82 G87 I88 G89 K90 V92L61-A85 HydrophobicContact CD2-CB 3.77Å; V69-A85 HydrophobicContact CG2-CB 4.33Å; I81-A85 VanDerWaalsContact O-CB 3.27Å; I81-A85 WeakPolarHBondContact O-CB 3.38Å; I81-A85 PolarHBondContact O-N 3.26Å; A82-A85 PolarHBondContact O-N 2.74Å; A85-G87 VanDerWaalsContact C-N 3.35Å; A85-G87 PolarHBondContact O-N 2.79Å; A85-I88 VanDerWaalsContact O-CG1 3.27Å; A85-I88 WeakPolarHBondContact O-CG1 3.48Å; A85-I88 PolarHBondContact O-N 3.34Å; A85-G89 PolarHBondContact O-N 2.9Å; A85-K90 HydrophobicContact CB-CB 4.28Å; A85-K90 WeakPolarHBondContact O-CB 3.29Å; A85-K90 PolarHBondContact O-N 2.99Å; A85-V92 HydrophobicContact CB-CG2 3.6Å
86L96.8Very high94.9Very high0 Ų030.1 Ų30.10%016%0.163CC..Hα-helixtrans-61.6-43.5174.2-70172.1000111.6A82 K84 I88 G89 V92 A109 A110 Y113 L116 F337A82-L86 WeakPolarHBondContact O-CG 3.01Å; A82-L86 PolarHBondContact O-N 3.23Å; K84-L86 PolarHBondContact O-N 3.13Å; L86-I88 PolarHBondContact O-N 2.89Å; L86-G89 PolarHBondContact O-N 2.84Å; L86-V92 HydrophobicContact CD2-CB 4.42Å; L86-V92 HydrophobicContact CD2-CG2 3.94Å; L86-V92 HydrophobicContact CG-CG2 3.86Å; L86-A109 HydrophobicContact CB-CB 4.49Å; L86-A109 HydrophobicContact CD1-CB 3.93Å; L86-A110 HydrophobicContact CD1-CB 4.28Å; L86-Y113 HydrophobicContact CB-CD2 4.17Å; L86-L116 HydrophobicContact CB-CD1 4.47Å; L86-L116 HydrophobicContact CD2-CB 3.88Å; L86-L116 HydrophobicContact CD2-CD1 3.9Å; L86-L116 WeakPolarHBondContact O-CD1 3.49Å; L86-F337 HydrophobicContact CD1-CD2 4.46Å; L86-F337 HydrophobicContact CD1-CE2 3.8Å
87G95.9Very high94.9Very high37 Ų3728 Ų2838%0.38115%0.148SC..Hα-helixtrans-60.8-24179.800000115.2V83 K84 A85V83-G87 PolarHBondContact O-N 2.93Å; K84-G87 PolarHBondContact O-N 3.05Å; K84-G87 VanDerWaalsContact O-N 3.12Å; A85-G87 VanDerWaalsContact C-N 3.35Å; A85-G87 PolarHBondContact O-N 2.79Å
88I95.4Very high94.6Very high80 Ų8025.4 Ų25.441%0.4114%0.137SC..THydrogen-bonded Turntrans-103.610.1175.463.6156.4000113L61 K84 A85 L86 K90L61-I88 HydrophobicContact CB-CD1 3.72Å; L61-I88 WeakPolarHBondContact O-CD1 3.27Å; K84-I88 WeakPolarHBondContact O-CG1 3.5Å; K84-I88 PolarHBondContact O-N 3.26Å; K84-I88 VanDerWaalsContact O-N 3.1Å; A85-I88 VanDerWaalsContact O-CG1 3.27Å; A85-I88 WeakPolarHBondContact O-CG1 3.48Å; A85-I88 PolarHBondContact O-N 3.34Å; L86-I88 PolarHBondContact O-N 2.89Å; I88-K90 HydrophobicContact CD1-CG 3.82Å; I88-K90 HydrophobicContact CG1-CG 3.93Å
89G94.6Very high94.5Very high26 Ų2627.4 Ų27.427%0.26815%0.149SC..THydrogen-bonded Turntrans86.722.1173.400000116A85 L86 L116A85-G89 PolarHBondContact O-N 2.9Å; L86-G89 PolarHBondContact O-N 2.84Å; G89-L116 WeakPolarHBondContact O-CD2 3.41Å
90K96Very high94.4Very high16 Ų1623.6 Ų23.67%0.0713%0.134CC..  trans-96.8144.9177.2-52.1-62.5-172.7-176.90111.5L61 H63 V66 V69 A85 I88L61-K90 WeakPolarHBondContact O-CE 3.44Å; H63-K90 PolarHBondContact O-NZ 3.42Å; V66-K90 WeakPolarHBondContact O-CD 3.47Å; V66-K90 WeakPolarHBondContact O-CE 3.47Å; V66-K90 PolarHBondContact O-NZ 2.97Å; V69-K90 HydrophobicContact CG2-CB 4.09Å; V69-K90 HydrophobicContact CG2-CG 4.46Å; A85-K90 HydrophobicContact CB-CB 4.28Å; A85-K90 WeakPolarHBondContact O-CB 3.29Å; A85-K90 PolarHBondContact O-N 2.99Å; I88-K90 HydrophobicContact CD1-CG 3.82Å; I88-K90 HydrophobicContact CG1-CG 3.93Å
91N96.6Very high94.3Very high0 Ų020.1 Ų20.10%012%0.12CC..EExtended strand (participates in β ladder)trans-70.6147.1170.1-66.4-65.7000110.3D67 L68 V69 L117 F317D67-N91 WeakPolarHBondContact O-CB 3.35Å; D67-N91 PolarHBondContact O-N 3.43Å; D67-N91 PolarHBondContact O-ND2 3.28Å; L68-N91 HydrophobicContact CB-CB 4.43Å; L68-N91 HydrophobicContact CD1-CB 3.66Å; V69-N91 PolarHBondContact N-O 2.84Å; N91-L117 HydrophobicContact CB-CB 4.03Å; N91-L117 WeakPolarHBondContact OD1-CB 3.31Å; N91-L117 PolarHBondContact OD1-N 3.36Å; N91-F317 HydrophobicContact CB-CZ 4.28Å
92V97.6Very high94.1Very high0 Ų021.1 Ų21.10%013%0.125CC..EExtended strand (participates in β ladder)trans-133.3128-173.5-1780000112.7V69 I71 A82 A85 L86 C94 L117 M119 F337V69-V92 WeakPolarHBondContact O-CA 3.34Å; I71-V92 HydrophobicContact CD1-CG1 3.75Å; I71-V92 HydrophobicContact CG1-CG1 4.48Å; A82-V92 HydrophobicContact CB-CG1 4.13Å; A85-V92 HydrophobicContact CB-CG2 3.6Å; L86-V92 HydrophobicContact CD2-CB 4.42Å; L86-V92 HydrophobicContact CD2-CG2 3.94Å; L86-V92 HydrophobicContact CG-CG2 3.86Å; V92-C94 HydrophobicContact CG1-CB 4.09Å; V92-L117 PolarHBondContact N-O 3.32Å; V92-M119 PolarHBondContact O-N 3.14Å; V92-F337 HydrophobicContact CB-CZ 4.39Å; V92-F337 HydrophobicContact CG1-CZ 3.88Å
93V97.3Very high94Very high0 Ų021.3 Ų21.30%013%0.127CC..EExtended strand (participates in β ladder)trans-114.1122.4162.2178.60000107.6L68 V69 C70 I71 M119 M309 L313L68-V93 HydrophobicContact CD1-CG2 4.13Å; V69-V93 PolarHBondContact O-N 3.38Å; C70-V93 CarbonylContact C-O 3.53Å; C70-V93 WeakPolarHBondContact CA-O 3.47Å; I71-V93 PolarHBondContact N-O 2.82Å; V93-M119 WeakPolarHBondContact CA-O 3.42Å; V93-M119 HydrophobicContact CB-CG 4.33Å; V93-M119 HydrophobicContact CG1-CG 4.36Å; V93-M119 HydrophobicContact CG2-CG 3.75Å; V93-M119 HydrophobicContact CG2-SD 4.03Å; V93-M309 HydrophobicContact CG1-CE 4.34Å; V93-L313 HydrophobicContact CG2-CD1 4.13Å; V93-L313 HydrophobicContact CG2-CD2 4.13Å
94C95.5Very high94Very high0 Ų020 Ų200%012%0.117CC..EExtended strand (participates in β ladder)trans-133.6130.9-172.6179.20000112.2I71 V92 M106 M119 M120 G121 F337I71-C94 HydrophobicContact CB-CB 4.29Å; I71-C94 HydrophobicContact CD1-CB 4.42Å; V92-C94 HydrophobicContact CG1-CB 4.09Å; C94-M106 HydrophobicContact CB-CE 4.07Å; C94-M119 PolarHBondContact N-O 3.46Å; C94-M120 CarbonylContact O-C 3.6Å; C94-M120 WeakPolarHBondContact O-CA 3.11Å; C94-G121 PolarHBondContact O-N 2.98Å; C94-F337 HydrophobicContact CB-CE1 4.02Å; C94-F337 HydrophobicContact CB-CZ 4.2Å
95E87.8Confident93.9Very high47 Ų4719.5 Ų19.522%0.2212%0.115CC..  trans-60.1-67.1-174.6-164-163.7147.600113.7I71 Y72I71-E95 PolarHBondContact O-N 3.12Å; Y72-E95 HydrophobicContact CD1-CB 4.07Å; Y72-E95 HydrophobicContact CD1-CG 4.27Å; Y72-E95 HydrophobicContact CE1-CB 4.25Å; Y72-E95 HydrophobicContact CE1-CG 4.31Å
96K88.1Confident93.8Very high18 Ų1819.6 Ų19.68%0.07812%0.116CC..  trans-160.2161.1176.870.9-160.870.21550112.3P75 T78 M120 I177P75-K96 HydrophobicContact CB-CG 4.05Å; P75-K96 HydrophobicContact CG-CD 4.21Å; P75-K96 HydrophobicContact CG-CG 3.83Å; T78-K96 WeakPolarHBondContact CB-O 3.42Å; T78-K96 VanDerWaalsContact CG2-O 3.25Å; T78-K96 WeakPolarHBondContact CG2-O 3.47Å; T78-K96 PolarHBondContact OG1-O 2.89Å; K96-M120 HydrophobicContact CB-CE 4.38Å; K96-I177 PolarHBondContact NZ-O 2.93Å
97A90.4Very high93.8Very high0 Ų019.7 Ų19.70%012%0.116CC..  trans-95.5157.5168.500000110.3D102 S103 M106 Q344A97-D102 HydrophobicContact CB-CB 3.99Å; A97-S103 VanDerWaalsContact CB-OG 3.28Å; A97-S103 WeakPolarHBondContact CB-OG 3.48Å; A97-M106 HydrophobicContact CB-SD 4.05Å; A97-Q344 VanDerWaalsContact O-CD 3.32Å; A97-Q344 PolarHBondContact O-NE2 3.32Å; A97-Q344 PolarHBondContact O-OE1 2.89Å
98A86.3Confident93.8Very high6 Ų620.1 Ų20.15%0.0511%0.111CC..SBendtrans-77-26.4176.200000113.8P75 H176P75-A98 HydrophobicContact CB-CB 3.93Å; P75-A98 PolarHBondContact O-N 2.88Å; A98-H176 PolarHBondContact O-CE1 3.17Å; A98-H176 VanDerWaalsContact O-CE1 3.23Å
99T92.4Very high93.8Very high41 Ų4116.8 Ų16.825%0.25210%0.096SC..SBendtrans-141.1160.7-172.867.30000111.8V101 D102 S103T99-V101 VanDerWaalsContact C-N 3.3Å; T99-D102 PolarHBondContact O-N 3.12Å; T99-D102 WeakPolarHBondContact OG1-CB 3.38Å; T99-D102 PolarHBondContact OG1-N 3.42Å; T99-D102 PolarHBondContact OG1-OD2 3.22Å; T99-S103 PolarHBondContact O-N 3.37Å; T99-S103 PolarHBondContact O-OG 2.9Å
100A92.6Very high93.8Very high0 Ų016 Ų160%09%0.087CC..Hα-helixtrans-65.4-35.9172.400000111.2D102 S103 F104 L341 Q344 E348 M365A100-D102 VanDerWaalsContact C-N 3.31Å; A100-D102 PolarHBondContact O-N 3.02Å; A100-S103 WeakPolarHBondContact O-CB 3.42Å; A100-S103 PolarHBondContact O-N 3.45Å; A100-F104 WeakPolarHBondContact O-CB 3.32Å; A100-F104 PolarHBondContact O-N 3.42Å; A100-L341 HydrophobicContact CB-CD1 4.23Å; A100-L341 VanDerWaalsContact O-CD1 3.28Å; A100-L341 WeakPolarHBondContact O-CD1 3.37Å; A100-Q344 HydrophobicContact CB-CB 4.14Å; A100-E348 WeakPolarHBondContact CB-OE1 3.36Å; A100-E348 VanDerWaalsContact CB-OE2 3.28Å; A100-E348 WeakPolarHBondContact CB-OE2 3.38Å; A100-E348 PolarHBondContact N-OE1 2.73Å; A100-M365 HydrophobicContact CB-SD 3.61Å
101V92.8Very high93.8Very high30 Ų3022.7 Ų22.718%0.18211%0.112CC..Hα-helixtrans-59.2-44.5173.3-176.20000110.9T99 S103 F104 K105 M365 P369T99-V101 VanDerWaalsContact C-N 3.3Å; V101-S103 VanDerWaalsContact C-N 3.34Å; V101-F104 PolarHBondContact O-N 2.85Å; V101-K105 PolarHBondContact O-N 2.99Å; V101-M365 HydrophobicContact CG2-CE 4.06Å; V101-M365 HydrophobicContact CG2-SD 4.49Å; V101-P369 HydrophobicContact CG1-CG 4.32Å; V101-P369 HydrophobicContact CG2-CG 3.85Å
102D93.3Very high93.7Very high25 Ų2531.2 Ų31.213%0.13415%0.145CC..Hα-helixtrans-65.7-41.7179.3-76-42.8000111.7R79 A97 T99 A100 F104 K105 M106R79-D102 HydrophobicContact CB-CB 4Å; R79-D102 WeakPolarHBondContact CD-OD1 3.41Å; R79-D102 HydrophobicContact CG-CB 4.48Å; R79-D102 IonicContact CZ-OD1 3.78Å; R79-D102 IonicContact NE-OD1 2.74Å; R79-D102 PolarHBondContact NE-OD1 3.07Å; A97-D102 HydrophobicContact CB-CB 3.99Å; T99-D102 PolarHBondContact O-N 3.12Å; T99-D102 WeakPolarHBondContact OG1-CB 3.38Å; T99-D102 PolarHBondContact OG1-N 3.42Å; T99-D102 PolarHBondContact OG1-OD2 3.22Å; A100-D102 VanDerWaalsContact C-N 3.31Å; A100-D102 PolarHBondContact O-N 3.02Å; D102-F104 VanDerWaalsContact C-N 3.35Å; D102-F104 PolarHBondContact O-N 3.45Å; D102-K105 PolarHBondContact O-N 3.28Å; D102-M106 WeakPolarHBondContact O-CG 3.15Å; D102-M106 PolarHBondContact O-N 3.46Å; D102-M106 VanDerWaalsContact O-N 3.14Å
103S94.8Very high93.6Very high4 Ų435.2 Ų35.23%0.02816%0.161CC..Hα-helixtrans-62.2-40.7174.8-55.80000112A97 T99 A100 V101 K105 M106 V107 L341 Q344A97-S103 VanDerWaalsContact CB-OG 3.28Å; A97-S103 WeakPolarHBondContact CB-OG 3.48Å; T99-S103 PolarHBondContact O-N 3.37Å; T99-S103 PolarHBondContact O-OG 2.9Å; A100-S103 WeakPolarHBondContact O-CB 3.42Å; A100-S103 PolarHBondContact O-N 3.45Å; V101-S103 VanDerWaalsContact C-N 3.34Å; S103-K105 VanDerWaalsContact C-N 3.3Å; S103-K105 PolarHBondContact O-N 3.06Å; S103-M106 WeakPolarHBondContact O-CB 3.37Å; S103-M106 PolarHBondContact O-N 3.44Å; S103-M106 VanDerWaalsContact O-N 3.15Å; S103-V107 WeakPolarHBondContact O-CG2 3.45Å; S103-V107 PolarHBondContact O-N 3.06Å; S103-L341 VanDerWaalsContact CB-CA 3.5Å; S103-Q344 VanDerWaalsContact OG-CG 3.25Å; S103-Q344 WeakPolarHBondContact OG-CG 3.48Å
104F95.4Very high93.3Very high20 Ų2039.9 Ų39.99%0.08819%0.191CC..Hα-helixtrans-61.1-40.1178.5-178.2-91.6000111.5A100 V101 D102 V107 T108 L341 M365 E368A100-F104 WeakPolarHBondContact O-CB 3.32Å; A100-F104 PolarHBondContact O-N 3.42Å; V101-F104 PolarHBondContact O-N 2.85Å; D102-F104 VanDerWaalsContact C-N 3.35Å; D102-F104 PolarHBondContact O-N 3.45Å; F104-V107 PolarHBondContact O-N 3.37Å; F104-T108 WeakPolarHBondContact O-CB 3.15Å; F104-T108 PolarHBondContact O-N 2.95Å; F104-T108 PolarHBondContact O-OG1 3.21Å; F104-L341 HydrophobicContact CB-CD1 4.07Å; F104-L341 HydrophobicContact CD2-CD2 4.04Å; F104-M365 HydrophobicContact CD2-CB 4.13Å; F104-E368 HydrophobicContact CD1-CB 4.25Å; F104-E368 HydrophobicContact CE1-CB 3.86Å
105K95Very high93.1Very high59 Ų5945.6 Ų45.626%0.25722%0.218SC..Hα-helixtrans-66.4-38.6175.3-71.4179.1177.7-172.20112.4R79 V101 D102 S103 T108 A109 E368R79-K105 VanDerWaalsContact CD-CD 3.5Å; R79-K105 HydrophobicContact CG-CB 4.06Å; V101-K105 PolarHBondContact O-N 2.99Å; D102-K105 PolarHBondContact O-N 3.28Å; S103-K105 VanDerWaalsContact C-N 3.3Å; S103-K105 PolarHBondContact O-N 3.06Å; K105-T108 PolarHBondContact O-N 2.81Å; K105-A109 PolarHBondContact O-N 3.04Å; K105-E368 VanDerWaalsContact CE-CD 3.46Å; K105-E368 WeakPolarHBondContact CE-OE1 3.49Å; K105-E368 IonicContact NZ-OE1 3.56Å; K105-E368 PolarHBondContact NZ-OE1 2.92Å
106M95.9Very high93.4Very high2 Ų244 Ų441%0.0121%0.211CC..Hα-helixtrans-63.6-47.5173.5-68.7172.159.400111.1R79 A82 V83 C94 A97 D102 S103 T108 A109 A110 M120 F337R79-M106 HydrophobicContact CB-CG 4.22Å; R79-M106 HydrophobicContact CB-SD 4.33Å; R79-M106 HydrophobicContact CG-CG 4.16Å; A82-M106 HydrophobicContact CB-CE 3.96Å; A82-M106 HydrophobicContact CB-CG 4.25Å; A82-M106 HydrophobicContact CB-SD 4.44Å; V83-M106 HydrophobicContact CG2-CG 4.36Å; C94-M106 HydrophobicContact CB-CE 4.07Å; A97-M106 HydrophobicContact CB-SD 4.05Å; D102-M106 WeakPolarHBondContact O-CG 3.15Å; D102-M106 PolarHBondContact O-N 3.46Å; D102-M106 VanDerWaalsContact O-N 3.14Å; S103-M106 WeakPolarHBondContact O-CB 3.37Å; S103-M106 PolarHBondContact O-N 3.44Å; S103-M106 VanDerWaalsContact O-N 3.15Å; M106-T108 VanDerWaalsContact C-N 3.3Å; M106-T108 PolarHBondContact O-N 3.44Å; M106-A109 PolarHBondContact O-N 3.4Å; M106-A110 PolarHBondContact O-N 3.43Å; M106-M120 HydrophobicContact CE-SD 4.39Å; M106-F337 HydrophobicContact CB-CD2 3.65Å; M106-F337 HydrophobicContact CB-CE2 3.89Å; M106-F337 HydrophobicContact CB-CG 4.24Å; M106-F337 HydrophobicContact CE-CD1 4.01Å; M106-F337 HydrophobicContact CE-CD2 4.19Å; M106-F337 HydrophobicContact CE-CE1 3.61Å; M106-F337 HydrophobicContact CE-CE2 3.79Å; M106-F337 HydrophobicContact CE-CG 4.27Å; M106-F337 HydrophobicContact CE-CZ 3.48Å; M106-F337 VanDerWaalsContact CE-CZ 3.48Å; M106-F337 WeakPolarHBondContact O-CD2 3.48Å
107V96.3Very high93.7Very high2 Ų243.3 Ų43.31%0.01221%0.208CC..Hα-helixtrans-56.1-46174.3169.10000111.2S103 F104 A109 A110 R111 F337 E338 L341S103-V107 WeakPolarHBondContact O-CG2 3.45Å; S103-V107 PolarHBondContact O-N 3.06Å; F104-V107 PolarHBondContact O-N 3.37Å; V107-A109 VanDerWaalsContact C-N 3.34Å; V107-A109 PolarHBondContact O-N 2.72Å; V107-A110 PolarHBondContact O-N 2.87Å; V107-R111 HydrophobicContact CG1-CG 4.39Å; V107-R111 WeakPolarHBondContact O-CG 3.11Å; V107-R111 PolarHBondContact O-N 2.85Å; V107-F337 HydrophobicContact CG2-CB 3.92Å; V107-F337 WeakPolarHBondContact CG2-O 3.43Å; V107-E338 HydrophobicContact CG1-CG 3.98Å; V107-E338 HydrophobicContact CG2-CG 4.2Å; V107-L341 HydrophobicContact CG2-CB 3.91Å; V107-L341 HydrophobicContact CG2-CD2 4.23Å
108T95.6Very high93.9Very high46 Ų4644.6 Ų44.628%0.28222%0.217SC..Hα-helixtrans-58.4-48.4178.9-59.90000110.3F104 K105 M106 A110 R111 Y112F104-T108 WeakPolarHBondContact O-CB 3.15Å; F104-T108 PolarHBondContact O-N 2.95Å; F104-T108 PolarHBondContact O-OG1 3.21Å; K105-T108 PolarHBondContact O-N 2.81Å; M106-T108 VanDerWaalsContact C-N 3.3Å; M106-T108 PolarHBondContact O-N 3.44Å; T108-A110 PolarHBondContact O-N 3.39Å; T108-R111 PolarHBondContact O-N 3.15Å; T108-Y112 HydrophobicContact CG2-CD2 3.91Å; T108-Y112 HydrophobicContact CG2-CE2 3.65Å; T108-Y112 WeakPolarHBondContact O-CD2 3.3Å; T108-Y112 PolarHBondContact O-N 3.33Å; T108-Y112 VanDerWaalsContact O-N 3.12Å
109A95.4Very high94.3Very high10 Ų1044.5 Ų44.58%0.08322%0.216CC..Hα-helixtrans-60.7-44.317600000112.5V83 L86 K105 M106 V107 R111 Y112 Y113V83-A109 HydrophobicContact CB-CB 4.3Å; V83-A109 HydrophobicContact CG1-CB 4.07Å; V83-A109 HydrophobicContact CG2-CB 3.99Å; L86-A109 HydrophobicContact CB-CB 4.49Å; L86-A109 HydrophobicContact CD1-CB 3.93Å; K105-A109 PolarHBondContact O-N 3.04Å; M106-A109 PolarHBondContact O-N 3.4Å; V107-A109 VanDerWaalsContact C-N 3.34Å; V107-A109 PolarHBondContact O-N 2.72Å; A109-R111 VanDerWaalsContact C-N 3.32Å; A109-R111 PolarHBondContact O-N 3.14Å; A109-Y112 PolarHBondContact O-N 3.25Å; A109-Y112 VanDerWaalsContact O-N 3.15Å; A109-Y113 VanDerWaalsContact O-CD2 3.31Å; A109-Y113 WeakPolarHBondContact O-CD2 3.49Å; A109-Y113 PolarHBondContact O-N 2.99Å
110A95.4Very high94.5Very high10 Ų1043.2 Ų43.28%0.08321%0.207CC..Hα-helixtrans-60.1-41177.500000112.4L86 M106 V107 T108 Y112 Y113 S118 F337L86-A110 HydrophobicContact CD1-CB 4.28Å; M106-A110 PolarHBondContact O-N 3.43Å; V107-A110 PolarHBondContact O-N 2.87Å; T108-A110 PolarHBondContact O-N 3.39Å; A110-Y112 VanDerWaalsContact C-N 3.31Å; A110-Y112 PolarHBondContact O-N 3.2Å; A110-Y113 CarbonylContact O-C 3.52Å; A110-Y113 PolarHBondContact O-N 3.13Å; A110-Y113 VanDerWaalsContact O-N 3.13Å; A110-S118 WeakPolarHBondContact CB-OG 3.44Å; A110-F337 HydrophobicContact CB-CD2 3.84Å
111R95.1Very high94.4Very high157 Ų15743.5 Ų43.559%0.59221%0.21SC*.Hα-helixtrans-66.1-31.1176-73.3177.1177.3175.4-1.2113.3V107 T108 A109 Y113 E338V107-R111 HydrophobicContact CG1-CG 4.39Å; V107-R111 WeakPolarHBondContact O-CG 3.11Å; V107-R111 PolarHBondContact O-N 2.85Å; T108-R111 PolarHBondContact O-N 3.15Å; A109-R111 VanDerWaalsContact C-N 3.32Å; A109-R111 PolarHBondContact O-N 3.14Å; R111-Y113 VanDerWaalsContact C-N 3.3Å; R111-E338 IonicContact CZ-OE1 2.74Å; R111-E338 VanDerWaalsContact CZ-OE1 3.27Å; R111-E338 IonicContact NE-OE1 3.45Å; R111-E338 PolarHBondContact NE-OE1 3.02Å; R111-E338 IonicContact NH2-OE1 3.69Å; R111-E338 PolarHBondContact NH2-OE1 2.93Å
112Y95.7Very high94.3Very high179 Ų17942.9 Ų42.970%0.70221%0.206SC*.Hα-helixtrans-71.3-25.2173.3-85.2-72.2000112.9T108 A109 A110 P114T108-Y112 HydrophobicContact CG2-CD2 3.91Å; T108-Y112 HydrophobicContact CG2-CE2 3.65Å; T108-Y112 WeakPolarHBondContact O-CD2 3.3Å; T108-Y112 PolarHBondContact O-N 3.33Å; T108-Y112 VanDerWaalsContact O-N 3.12Å; A109-Y112 PolarHBondContact O-N 3.25Å; A109-Y112 VanDerWaalsContact O-N 3.15Å; A110-Y112 VanDerWaalsContact C-N 3.31Å; A110-Y112 PolarHBondContact O-N 3.2Å; Y112-P114 VanDerWaalsContact C-CD 3.45Å; Y112-P114 WeakPolarHBondContact O-CD 3.47Å
113Y94.3Very high94.3Very high83 Ų8342.2 Ų42.233%0.32520%0.202SC..  trans-127.160.8-178.6-58-77.6000112.2L86 A109 A110 R111 Q115 L116L86-Y113 HydrophobicContact CB-CD2 4.17Å; A109-Y113 VanDerWaalsContact O-CD2 3.31Å; A109-Y113 WeakPolarHBondContact O-CD2 3.49Å; A109-Y113 PolarHBondContact O-N 2.99Å; A110-Y113 CarbonylContact O-C 3.52Å; A110-Y113 PolarHBondContact O-N 3.13Å; A110-Y113 VanDerWaalsContact O-N 3.13Å; R111-Y113 VanDerWaalsContact C-N 3.3Å; Y113-Q115 PolarHBondContact O-N 3.46Å; Y113-Q115 VanDerWaalsContact O-N 3.1Å; Y113-L116 HydrophobicContact CG-CD1 4.16Å; Y113-L116 PolarHBondContact O-N 2.93Å
114P91.8Very high94.3Very high98 Ų9842.1 Ų42.164%0.63620%0.201SC*.THydrogen-bonded Turntrans-65.6-17.8-171.228.7-37000114.2Y112 L116Y112-P114 VanDerWaalsContact C-CD 3.45Å; Y112-P114 WeakPolarHBondContact O-CD 3.47Å; P114-L116 VanDerWaalsContact C-N 3.31Å
115Q90.5Very high94.4Very high120 Ų12041.9 Ų41.956%0.56120%0.2SC*.THydrogen-bonded Turntrans-74.6-20175.169.1-78.94.100113.4Y113 W326Y113-Q115 PolarHBondContact O-N 3.46Å; Y113-Q115 VanDerWaalsContact O-N 3.1Å; Q115-W326 PolarHBondContact O-NE1 3.29Å
116L93.5Very high94.3Very high14 Ų1439.7 Ų39.77%0.07319%0.19CC..SBendtrans-86.4142.5178.8-59.9175.6000110L86 G89 Y113 P114 S118L86-L116 HydrophobicContact CB-CD1 4.47Å; L86-L116 HydrophobicContact CD2-CB 3.88Å; L86-L116 HydrophobicContact CD2-CD1 3.9Å; L86-L116 WeakPolarHBondContact O-CD1 3.49Å; G89-L116 WeakPolarHBondContact O-CD2 3.41Å; Y113-L116 HydrophobicContact CG-CD1 4.16Å; Y113-L116 PolarHBondContact O-N 2.93Å; P114-L116 VanDerWaalsContact C-N 3.31Å; L116-S118 PolarHBondContact O-N 3.4Å
117L94.6Very high94.3Very high4 Ų439.6 Ų39.62%0.02119%0.19CC..  trans-65.1123.2169.9177.572.7000108.7L68 N91 V92 M119 L313 F317 W326 V331L68-L117 HydrophobicContact CD1-CD2 4.43Å; N91-L117 HydrophobicContact CB-CB 4.03Å; N91-L117 WeakPolarHBondContact OD1-CB 3.31Å; N91-L117 PolarHBondContact OD1-N 3.36Å; V92-L117 PolarHBondContact N-O 3.32Å; L117-M119 HydrophobicContact CD1-CG 4.4Å; L117-M119 HydrophobicContact CD1-SD 4.41Å; L117-M119 HydrophobicContact CD2-SD 4.4Å; L117-M119 HydrophobicContact CG-CG 4.36Å; L117-L313 HydrophobicContact CD2-CD2 3.7Å; L117-F317 HydrophobicContact CD2-CE2 4.08Å; L117-F317 HydrophobicContact CD2-CZ 3.95Å; L117-W326 HydrophobicContact CB-CD2 4.03Å; L117-W326 HydrophobicContact CB-CG 4.21Å; L117-W326 HydrophobicContact CB-CZ2 4.26Å; L117-W326 HydrophobicContact CD1-CD2 4.03Å; L117-W326 HydrophobicContact CD1-CE3 3.78Å; L117-W326 HydrophobicContact CD1-CH2 3.8Å; L117-W326 HydrophobicContact CD1-CZ2 4.07Å; L117-W326 HydrophobicContact CD1-CZ3 3.62Å; L117-W326 VanDerWaalsContact N-NE1 3.19Å; L117-V331 HydrophobicContact CD1-CG2 4.19Å
118S95.1Very high94.2Very high27 Ų2741.8 Ų41.819%0.18920%0.204CC..EExtended strand (participates in β ladder)trans-132.699.2172.262.20000109.6A110 L116A110-S118 WeakPolarHBondContact CB-OG 3.44Å; L116-S118 PolarHBondContact O-N 3.4Å
119M95.1Very high94.3Very high4 Ų439.6 Ų39.62%0.0219%0.191CC..EExtended strand (participates in β ladder)trans-129.9152.2-177.866.3172.1-78.400112.9V92 V93 C94 L117 F126 M309 L313 A334 P335V92-M119 PolarHBondContact O-N 3.14Å; V93-M119 WeakPolarHBondContact CA-O 3.42Å; V93-M119 HydrophobicContact CB-CG 4.33Å; V93-M119 HydrophobicContact CG1-CG 4.36Å; V93-M119 HydrophobicContact CG2-CG 3.75Å; V93-M119 HydrophobicContact CG2-SD 4.03Å; C94-M119 PolarHBondContact N-O 3.46Å; L117-M119 HydrophobicContact CD1-CG 4.4Å; L117-M119 HydrophobicContact CD1-SD 4.41Å; L117-M119 HydrophobicContact CD2-SD 4.4Å; L117-M119 HydrophobicContact CG-CG 4.36Å; M119-F126 HydrophobicContact CE-CE2 4.03Å; M119-F126 HydrophobicContact CE-CZ 4.11Å; M119-M309 HydrophobicContact CE-CG 4.07Å; M119-M309 HydrophobicContact CE-SD 3.94Å; M119-L313 HydrophobicContact SD-CD2 3.81Å; M119-A334 HydrophobicContact CB-CB 4.26Å; M119-A334 HydrophobicContact CE-CB 3.74Å; M119-A334 HydrophobicContact SD-CB 4.07Å; M119-P335 CarbonylContact C-O 3.38Å; M119-P335 WeakPolarHBondContact CA-O 3.23Å; M119-P335 WeakPolarHBondContact CB-O 3.49Å
120M95.7Very high94.4Very high13 Ų1339.1 Ų39.16%0.06419%0.187CC..EExtended strand (participates in β ladder)trans-82.6141.4171.8-56-64.1-67.600110C94 K96 M106 N122 P335 T336 F337C94-M120 CarbonylContact O-C 3.6Å; C94-M120 WeakPolarHBondContact O-CA 3.11Å; K96-M120 HydrophobicContact CB-CE 4.38Å; M106-M120 HydrophobicContact CE-SD 4.39Å; M120-N122 PolarHBondContact O-N 2.77Å; M120-P335 HydrophobicContact CB-CB 3.95Å; M120-P335 HydrophobicContact CB-CG 4.02Å; M120-P335 HydrophobicContact CG-CB 4.44Å; M120-P335 PolarHBondContact N-O 3.4Å; M120-T336 WeakPolarHBondContact CG-O 3.44Å; M120-F337 HydrophobicContact CG-CD1 4.17Å; M120-F337 HydrophobicContact SD-CD1 3.45Å; M120-F337 WeakPolarHBondContact SD-CD1 3.42Å; M120-F337 HydrophobicContact SD-CE1 3.87Å; M120-F337 HydrophobicContact SD-CG 4.45Å
121G90.9Very high94.4Very high6 Ų641 Ų416%0.06220%0.198CC..  trans-79.227.6-178.300000114.4C94 T123C94-G121 PolarHBondContact O-N 2.98Å; G121-T123 PolarHBondContact O-N 2.91Å; G121-T123 VanDerWaalsContact O-N 3.14Å
122N91.1Very high94.5Very high18 Ų1834.4 Ų34.410%0.09618%0.176CC..  trans-75.3104.4177.5-175.712.1000110.4M120 L124 A181 D184 P335M120-N122 PolarHBondContact O-N 2.77Å; N122-L124 VanDerWaalsContact C-N 3.28Å; N122-L124 PolarHBondContact O-N 3.24Å; N122-L124 PolarHBondContact OD1-N 3.21Å; N122-A181 PolarHBondContact ND2-O 2.89Å; N122-A181 VanDerWaalsContact ND2-O 3.16Å; N122-A181 WeakPolarHBondContact OD1-CB 3.38Å; N122-D184 WeakPolarHBondContact ND2-CB 3.47Å; N122-D184 PolarHBondContact ND2-OD2 3.24Å; N122-P335 HydrophobicContact CB-CG 3.74Å
123T93.6Very high94.6Very high11 Ų1125.9 Ų25.97%0.06714%0.143CC..G310 helixtrans-75.2-14.7-173.660.30000114G121 R125 F126 L127 H302 G305 L306 M309G121-T123 PolarHBondContact O-N 2.91Å; G121-T123 VanDerWaalsContact O-N 3.14Å; T123-R125 VanDerWaalsContact C-N 3.31Å; T123-R125 PolarHBondContact O-N 3.41Å; T123-F126 PolarHBondContact O-N 2.76Å; T123-L127 PolarHBondContact O-N 3.07Å; T123-H302 PolarHBondContact OG1-O 3.41Å; T123-G305 WeakPolarHBondContact O-CA 3.4Å; T123-L306 HydrophobicContact CG2-CB 3.91Å; T123-L306 HydrophobicContact CG2-CD1 3.68Å; T123-L306 HydrophobicContact CG2-CG 4.43Å; T123-M309 HydrophobicContact CG2-SD 4.18Å
124L95.3Very high94.8Very high1 Ų123.5 Ų23.51%0.00514%0.135CC..G310 helixtrans-64.6-32.6-176.7-65.4-174.9000112.9N122 F126 L127 F130 A181 I182 L185N122-L124 VanDerWaalsContact C-N 3.28Å; N122-L124 PolarHBondContact O-N 3.24Å; N122-L124 PolarHBondContact OD1-N 3.21Å; L124-F126 PolarHBondContact O-N 3.04Å; L124-L127 WeakPolarHBondContact O-CB 3.45Å; L124-L127 PolarHBondContact O-N 2.8Å; L124-L127 VanDerWaalsContact O-N 3.16Å; L124-F130 HydrophobicContact CB-CD2 4.31Å; L124-F130 HydrophobicContact CD2-CE2 4.36Å; L124-F130 WeakPolarHBondContact O-CD2 3.45Å; L124-A181 HydrophobicContact CD1-CB 3.92Å; L124-I182 HydrophobicContact CD1-CD1 3.98Å; L124-L185 HydrophobicContact CB-CD1 4.39Å; L124-L185 HydrophobicContact CB-CD2 4.36Å; L124-L185 HydrophobicContact CD1-CD2 4.13Å
125R95.4Very high95Very high15 Ų1524.3 Ų24.36%0.05713%0.13CC..G310 helixtrans-65-20175.5-64-164.2-174.2-167.6-0.9113.5T123 V131 D184 Y188 S333 D339T123-R125 VanDerWaalsContact C-N 3.31Å; T123-R125 PolarHBondContact O-N 3.41Å; R125-V131 WeakPolarHBondContact O-CG2 3.44Å; R125-D184 IonicContact CZ-OD1 2.95Å; R125-D184 IonicContact CZ-OD2 2.72Å; R125-D184 IonicContact NE-OD1 3.74Å; R125-D184 PolarHBondContact NE-OD1 3.29Å; R125-D184 IonicContact NE-OD2 3.89Å; R125-D184 PolarHBondContact NE-OD2 3.09Å; R125-D184 IonicContact NH2-OD1 3.81Å; R125-D184 PolarHBondContact NH2-OD1 3.14Å; R125-D184 IonicContact NH2-OD2 3.5Å; R125-Y188 HydrophobicContact CG-CD1 4.22Å; R125-Y188 HydrophobicContact CG-CG 4.21Å; R125-S333 WeakPolarHBondContact CD-O 3.36Å; R125-S333 PolarHBondContact NH1-O 3.36Å; R125-S333 VanDerWaalsContact NH1-O 3.14Å; R125-D339 IonicContact NH1-OD2 2.8Å; R125-D339 IonicContact NH2-OD1 2.76Å; R125-D339 IonicContact NH2-OD2 2.66Å
126F94.9Very high95.3Very high13 Ų1320.1 Ų20.16%0.05711%0.111CC..G310 helixtrans-98.5-4.8178.4-64-86.5000113.2M119 T123 L124 S308 M309 A312 A334M119-F126 HydrophobicContact CE-CE2 4.03Å; M119-F126 HydrophobicContact CE-CZ 4.11Å; T123-F126 PolarHBondContact O-N 2.76Å; L124-F126 PolarHBondContact O-N 3.04Å; F126-S308 WeakPolarHBondContact O-CB 3.13Å; F126-M309 HydrophobicContact CB-CB 4.2Å; F126-M309 HydrophobicContact CD1-CB 4.26Å; F126-M309 HydrophobicContact CD2-CB 3.73Å; F126-M309 HydrophobicContact CD2-CG 3.79Å; F126-M309 HydrophobicContact CD2-SD 4.49Å; F126-M309 HydrophobicContact CE1-CG 4.47Å; F126-M309 HydrophobicContact CE2-CB 4.11Å; F126-M309 HydrophobicContact CE2-CG 3.64Å; F126-M309 HydrophobicContact CE2-SD 4.33Å; F126-M309 HydrophobicContact CG-CB 3.8Å; F126-M309 HydrophobicContact CG-CG 4.26Å; F126-M309 HydrophobicContact CZ-CG 3.99Å; F126-A312 HydrophobicContact CD1-CB 4.03Å; F126-A312 HydrophobicContact CE1-CB 3.63Å; F126-A334 HydrophobicContact CE2-CB 4.23Å; F126-A334 HydrophobicContact CZ-CB 3.75Å
127L95.2Very high95.5Very high0 Ų020.4 Ų20.40%011%0.113CC..SBendtrans-65.8127.9177.9-177.768.6000109.4T123 L124 A129 F130 V131 T269 P301 Q304T123-L127 PolarHBondContact O-N 3.07Å; L124-L127 WeakPolarHBondContact O-CB 3.45Å; L124-L127 PolarHBondContact O-N 2.8Å; L124-L127 VanDerWaalsContact O-N 3.16Å; L127-A129 HydrophobicContact CD2-CB 4.2Å; L127-A129 HydrophobicContact CG-CB 4.28Å; L127-A129 PolarHBondContact O-N 2.85Å; L127-A129 VanDerWaalsContact O-N 3.1Å; L127-F130 HydrophobicContact CB-CD2 3.92Å; L127-F130 HydrophobicContact CD2-CD2 3.56Å; L127-F130 HydrophobicContact CD2-CE2 3.63Å; L127-F130 HydrophobicContact CD2-CG 4.5Å; L127-F130 HydrophobicContact CG-CD2 4.27Å; L127-F130 PolarHBondContact O-N 2.86Å; L127-V131 PolarHBondContact O-N 2.89Å; L127-T269 HydrophobicContact CD1-CG2 4.28Å; L127-P301 HydrophobicContact CD1-CB 4.46Å; L127-P301 HydrophobicContact CD2-CB 4.04Å; L127-Q304 HydrophobicContact CD1-CB 3.79Å
128P95Very high95.5Very high49 Ų4925.7 Ų25.732%0.31815%0.145SC..Hα-helixtrans-52.8-37.6-177.4-30.937.3000114.3F130 V131 A132 L285P128-F130 PolarHBondContact O-N 3.33Å; P128-V131 PolarHBondContact O-N 3.39Å; P128-A132 WeakPolarHBondContact O-CB 3.29Å; P128-A132 PolarHBondContact O-N 2.88Å; P128-L285 HydrophobicContact CB-CD1 4.31Å
129A96.4Very high95.6Very high0 Ų031.3 Ų31.30%017%0.168CC..Hα-helixtrans-60.6-41.1175.100000112.9L127 M133 A266 L271L127-A129 HydrophobicContact CD2-CB 4.2Å; L127-A129 HydrophobicContact CG-CB 4.28Å; L127-A129 PolarHBondContact O-N 2.85Å; L127-A129 VanDerWaalsContact O-N 3.1Å; A129-M133 VanDerWaalsContact O-CB 3.25Å; A129-M133 WeakPolarHBondContact O-CB 3.38Å; A129-M133 PolarHBondContact O-N 3.1Å; A129-A266 HydrophobicContact CB-CB 4.45Å; A129-L271 HydrophobicContact CB-CB 4.4Å
130F97.4Very high95.6Very high0 Ų032.9 Ų32.90%019%0.185CC..Hα-helixtrans-80.1-29.5178.2-69.7-50.9000113.2L124 L127 P128 M133 Q134 L185 L189 H253 V255 A266L124-F130 HydrophobicContact CB-CD2 4.31Å; L124-F130 HydrophobicContact CD2-CE2 4.36Å; L124-F130 WeakPolarHBondContact O-CD2 3.45Å; L127-F130 HydrophobicContact CB-CD2 3.92Å; L127-F130 HydrophobicContact CD2-CD2 3.56Å; L127-F130 HydrophobicContact CD2-CE2 3.63Å; L127-F130 HydrophobicContact CD2-CG 4.5Å; L127-F130 HydrophobicContact CG-CD2 4.27Å; L127-F130 PolarHBondContact O-N 2.86Å; P128-F130 PolarHBondContact O-N 3.33Å; F130-M133 HydrophobicContact CD1-CE 4.4Å; F130-M133 HydrophobicContact CD1-SD 4.04Å; F130-M133 HydrophobicContact CE1-CE 4.26Å; F130-M133 HydrophobicContact CE1-SD 4.25Å; F130-Q134 WeakPolarHBondContact O-CB 3.34Å; F130-Q134 PolarHBondContact O-N 3.16Å; F130-L185 HydrophobicContact CB-CD1 4.03Å; F130-L185 HydrophobicContact CD1-CD1 4.04Å; F130-L185 HydrophobicContact CD1-CD2 4.01Å; F130-L185 HydrophobicContact CD1-CG 4.49Å; F130-L185 HydrophobicContact CD2-CD1 3.97Å; F130-L185 HydrophobicContact CD2-CD2 3.86Å; F130-L185 HydrophobicContact CE1-CD2 3.73Å; F130-L185 HydrophobicContact CE2-CD2 3.56Å; F130-L185 HydrophobicContact CG-CD1 3.74Å; F130-L185 HydrophobicContact CG-CD2 4.11Å; F130-L185 HydrophobicContact CZ-CD2 3.53Å; F130-L189 HydrophobicContact CD1-CD1 4.02Å; F130-L189 HydrophobicContact CE1-CD1 4.4Å; F130-H253 AromaticContact CE2-CE1 3.8Å; F130-H253 AromaticContact CZ-CE1 3.78Å; F130-V255 HydrophobicContact CE1-CB 3.67Å; F130-V255 HydrophobicContact CE1-CG1 3.86Å; F130-V255 HydrophobicContact CE1-CG2 3.94Å; F130-V255 HydrophobicContact CZ-CB 3.82Å; F130-V255 HydrophobicContact CZ-CG1 4.39Å; F130-V255 HydrophobicContact CZ-CG2 3.6Å; F130-A266 HydrophobicContact CD1-CB 4.24Å; F130-A266 HydrophobicContact CE1-CB 3.5Å; F130-A266 HydrophobicContact CZ-CB 3.83Å
131V96.1Very high95.6Very high50 Ų5033 Ų3330%0.30319%0.185SC..Hα-helixtrans-63.3-48.1169.8175.80000110.3R125 L127 P128 Q134 Q135R125-V131 WeakPolarHBondContact O-CG2 3.44Å; L127-V131 PolarHBondContact O-N 2.89Å; P128-V131 PolarHBondContact O-N 3.39Å; V131-Q134 PolarHBondContact O-N 2.94Å; V131-Q135 WeakPolarHBondContact O-CG 3.38Å; V131-Q135 PolarHBondContact O-N 3.07Å; V131-Q135 VanDerWaalsContact O-N 3.09Å
132A97.1Very high95.8Very high17 Ų1732.7 Ų32.714%0.1418%0.182CC..Hα-helixtrans-66-40.4176.400000112P128 Q134 Q135 L136 L271 L285P128-A132 WeakPolarHBondContact O-CB 3.29Å; P128-A132 PolarHBondContact O-N 2.88Å; A132-Q134 VanDerWaalsContact C-N 3.33Å; A132-Q134 PolarHBondContact O-N 3.39Å; A132-Q135 PolarHBondContact O-N 3.29Å; A132-L136 WeakPolarHBondContact O-CG 3.43Å; A132-L136 PolarHBondContact O-N 3.42Å; A132-L271 HydrophobicContact CB-CD2 3.77Å; A132-L285 HydrophobicContact CB-CD1 3.92Å
133M98.1Very high96Very high0 Ų033.2 Ų33.20%019%0.192CC..Hα-helixtrans-57.9-47.2173.6-174.9-179.7-75.200110.6A129 F130 Q135 L136 L137 L189 I257 L264 A266 L271A129-M133 VanDerWaalsContact O-CB 3.25Å; A129-M133 WeakPolarHBondContact O-CB 3.38Å; A129-M133 PolarHBondContact O-N 3.1Å; F130-M133 HydrophobicContact CD1-CE 4.4Å; F130-M133 HydrophobicContact CD1-SD 4.04Å; F130-M133 HydrophobicContact CE1-CE 4.26Å; F130-M133 HydrophobicContact CE1-SD 4.25Å; M133-Q135 VanDerWaalsContact C-N 3.34Å; M133-Q135 PolarHBondContact O-N 3.34Å; M133-L136 PolarHBondContact O-N 2.83Å; M133-L137 HydrophobicContact CG-CD1 4.22Å; M133-L137 HydrophobicContact CG-CG 4.41Å; M133-L137 VanDerWaalsContact O-CG 3.27Å; M133-L137 WeakPolarHBondContact O-CG 3.36Å; M133-L137 PolarHBondContact O-N 2.95Å; M133-L189 HydrophobicContact CB-CD2 4.41Å; M133-L189 HydrophobicContact CG-CD2 4.22Å; M133-L189 HydrophobicContact SD-CD1 3.76Å; M133-L189 HydrophobicContact SD-CD2 4.2Å; M133-I257 HydrophobicContact SD-CD1 3.74Å; M133-I257 HydrophobicContact SD-CG1 4.28Å; M133-L264 HydrophobicContact CE-CB 4.21Å; M133-L264 HydrophobicContact CG-CB 4.34Å; M133-L264 HydrophobicContact CG-CD1 4.07Å; M133-A266 HydrophobicContact CE-CB 3.6Å; M133-L271 HydrophobicContact CB-CD1 4.02Å; M133-L271 HydrophobicContact CB-CD2 4.26Å; M133-L271 HydrophobicContact CE-CD1 3.46Å; M133-L271 VanDerWaalsContact CE-CD1 3.46Å; M133-L271 HydrophobicContact CG-CD1 4.37Å
134Q97.1Very high96Very high34 Ų3437.4 Ų37.416%0.15921%0.213CC..Hα-helixtrans-59.5-44178.2-175.564.22.600112.4F130 V131 A132 L136 L137 V138 Y188 L189F130-Q134 WeakPolarHBondContact O-CB 3.34Å; F130-Q134 PolarHBondContact O-N 3.16Å; V131-Q134 PolarHBondContact O-N 2.94Å; A132-Q134 VanDerWaalsContact C-N 3.33Å; A132-Q134 PolarHBondContact O-N 3.39Å; Q134-L136 PolarHBondContact O-N 3.21Å; Q134-L137 PolarHBondContact O-N 3.28Å; Q134-V138 WeakPolarHBondContact O-CG2 3.3Å; Q134-V138 PolarHBondContact O-N 2.84Å; Q134-Y188 HydrophobicContact CB-CE1 3.97Å; Q134-Y188 HydrophobicContact CG-CE1 3.9Å; Q134-Y188 PolarHBondContact NE2-O 3.24Å; Q134-L189 HydrophobicContact CB-CD2 4.16Å; Q134-L189 PolarHBondContact OE1-O 2.9Å
135Q96.8Very high96Very high114 Ų11439.1 Ų39.153%0.53322%0.222SC..Hα-helixtrans-59-47.5177-71.9171.2-12.600111.2V131 A132 M133 L137 V138 E139V131-Q135 WeakPolarHBondContact O-CG 3.38Å; V131-Q135 PolarHBondContact O-N 3.07Å; V131-Q135 VanDerWaalsContact O-N 3.09Å; A132-Q135 PolarHBondContact O-N 3.29Å; M133-Q135 VanDerWaalsContact C-N 3.34Å; M133-Q135 PolarHBondContact O-N 3.34Å; Q135-L137 VanDerWaalsContact C-N 3.34Å; Q135-L137 PolarHBondContact O-N 2.94Å; Q135-V138 PolarHBondContact O-N 3.12Å; Q135-E139 WeakPolarHBondContact O-CB 3.48Å; Q135-E139 VanDerWaalsContact O-CG 3.3Å; Q135-E139 WeakPolarHBondContact O-CG 3.03Å; Q135-E139 PolarHBondContact O-N 3.4Å
136L97.8Very high95.9Very high33 Ų3343 Ų4317%0.17324%0.241CC..Hα-helixtrans-65.6-34179-69.4168000113.1A132 M133 Q134 E139 G140 Y141 L264 L271 L284A132-L136 WeakPolarHBondContact O-CG 3.43Å; A132-L136 PolarHBondContact O-N 3.42Å; M133-L136 PolarHBondContact O-N 2.83Å; Q134-L136 PolarHBondContact O-N 3.21Å; L136-E139 PolarHBondContact O-N 3Å; L136-G140 PolarHBondContact O-N 3.33Å; L136-Y141 HydrophobicContact CB-CG 4.43Å; L136-Y141 HydrophobicContact CD2-CD2 3.98Å; L136-Y141 HydrophobicContact CD2-CG 4.47Å; L136-Y141 WeakPolarHBondContact O-CB 3.2Å; L136-Y141 PolarHBondContact O-N 3.25Å; L136-L264 HydrophobicContact CB-CD1 3.8Å; L136-L264 HydrophobicContact CD1-CD1 4.41Å; L136-L264 HydrophobicContact CD1-CD2 3.91Å; L136-L271 HydrophobicContact CD1-CD2 3.87Å; L136-L284 HydrophobicContact CD1-CD1 3.62Å
137L96.3Very high96Very high19 Ų1945.5 Ų45.510%0.09926%0.257CS..Hα-helixtrans-65-45.2173.1-67.6174.1000110.9M133 Q134 Q135 E139 G140 V142 I145 L189 I257 L264M133-L137 HydrophobicContact CG-CD1 4.22Å; M133-L137 HydrophobicContact CG-CG 4.41Å; M133-L137 VanDerWaalsContact O-CG 3.27Å; M133-L137 WeakPolarHBondContact O-CG 3.36Å; M133-L137 PolarHBondContact O-N 2.95Å; Q134-L137 PolarHBondContact O-N 3.28Å; Q135-L137 VanDerWaalsContact C-N 3.34Å; Q135-L137 PolarHBondContact O-N 2.94Å; L137-E139 VanDerWaalsContact C-N 3.3Å; L137-E139 PolarHBondContact O-N 2.86Å; L137-G140 PolarHBondContact O-N 3.26Å; L137-V142 HydrophobicContact CD2-CG1 4.39Å; L137-V142 HydrophobicContact CD2-CG2 3.43Å; L137-V142 VanDerWaalsContact CD2-CG2 3.43Å; L137-I145 HydrophobicContact CD1-CD1 4.29Å; L137-I145 HydrophobicContact CD2-CD1 4.08Å; L137-I145 HydrophobicContact CD2-CG1 4.26Å; L137-L189 HydrophobicContact CD1-CB 4.06Å; L137-L189 HydrophobicContact CD1-CD2 4.14Å; L137-L189 WeakPolarHBondContact CD1-O 3.25Å; L137-I257 HydrophobicContact CD1-CD1 3.74Å; L137-I257 HydrophobicContact CD2-CG2 3.99Å; L137-L264 HydrophobicContact CD2-CD1 3.95Å; L137-L264 HydrophobicContact CG-CD1 4.22Å
138V95.1Very high96.1Very high115 Ų11545.5 Ų45.570%0.69726%0.257SS*.Hα-helixtrans-63.9-36.2176.5171.80000111.6Q134 Q135 G140Q134-V138 WeakPolarHBondContact O-CG2 3.3Å; Q134-V138 PolarHBondContact O-N 2.84Å; Q135-V138 PolarHBondContact O-N 3.12Å; V138-G140 PolarHBondContact O-N 2.97Å
139E96.4Very high96.3Very high146 Ų14644.4 Ų44.468%0.68225%0.249SC*.THydrogen-bonded Turntrans-72.7-4.2173.8-70.7172.4-170.500113.6Q135 L136 L137Q135-E139 WeakPolarHBondContact O-CB 3.48Å; Q135-E139 VanDerWaalsContact O-CG 3.3Å; Q135-E139 WeakPolarHBondContact O-CG 3.03Å; Q135-E139 PolarHBondContact O-N 3.4Å; L136-E139 PolarHBondContact O-N 3Å; L137-E139 VanDerWaalsContact C-N 3.3Å; L137-E139 PolarHBondContact O-N 2.86Å
140G95.5Very high96.4Very high36 Ų3644.4 Ų44.437%0.37125%0.249SC..THydrogen-bonded Turntrans7624.6178.300000114.2L136 L137 V138 V142 G143L136-G140 PolarHBondContact O-N 3.33Å; L137-G140 PolarHBondContact O-N 3.26Å; V138-G140 PolarHBondContact O-N 2.97Å; G140-V142 PolarHBondContact O-N 3.24Å; G140-G143 PolarHBondContact O-N 3.38Å
141Y96.6Very high96.4Very high16 Ų1649.3 Ų49.36%0.06327%0.267CS..THydrogen-bonded Turntrans-52.9-41.9-180-176.4-81.1000112.5L136 L264 Q274 R275 L284L136-Y141 HydrophobicContact CB-CG 4.43Å; L136-Y141 HydrophobicContact CD2-CD2 3.98Å; L136-Y141 HydrophobicContact CD2-CG 4.47Å; L136-Y141 WeakPolarHBondContact O-CB 3.2Å; L136-Y141 PolarHBondContact O-N 3.25Å; Y141-L264 HydrophobicContact CD1-CD1 4.28Å; Y141-L264 HydrophobicContact CD1-CD2 3.73Å; Y141-L264 HydrophobicContact CD1-CG 3.89Å; Y141-L264 HydrophobicContact CE1-CD2 3.72Å; Y141-L264 HydrophobicContact CE1-CG 4.21Å; Y141-L264 HydrophobicContact CG-CD2 4.36Å; Y141-Q274 PolarHBondContact OH-N 2.96Å; Y141-R275 HydrophobicContact CE1-CG 4.1Å; Y141-R275 HydrophobicContact CE2-CG 4.23Å; Y141-L284 HydrophobicContact CE2-CD1 4.3Å
142V95.7Very high96.4Very high0 Ų047 Ų470%025%0.253CS..THydrogen-bonded Turntrans-97.62.1179.4-57.20000113.6L137 G140 I145 G259 S260 A261 L264L137-V142 HydrophobicContact CD2-CG1 4.39Å; L137-V142 HydrophobicContact CD2-CG2 3.43Å; L137-V142 VanDerWaalsContact CD2-CG2 3.43Å; G140-V142 PolarHBondContact O-N 3.24Å; V142-I145 HydrophobicContact CG2-CG1 4.16Å; V142-G259 CarbonylContact O-C 3.59Å; V142-G259 VanDerWaalsContact O-CA 3.23Å; V142-G259 WeakPolarHBondContact O-CA 3.26Å; V142-S260 PolarHBondContact O-N 3.28Å; V142-A261 PolarHBondContact O-N 3.08Å; V142-L264 HydrophobicContact CG1-CB 4.43Å; V142-L264 HydrophobicContact CG1-CD1 3.96Å; V142-L264 HydrophobicContact CG1-CG 3.77Å
143G94.3Very high96.4Very high29 Ų2948.8 Ų48.830%0.29926%0.256SS..SBendtrans64.7-139.8-170.500000111.8G140 I145G140-G143 PolarHBondContact O-N 3.38Å; G143-I145 PolarHBondContact O-N 3.3Å
144D93.3Very high96.1Very high98 Ų9848.8 Ų48.852%0.52426%0.256SS..SBendtrans-73.4124.9177.4-57.8-51.4000110G259 S260D144-G259 CarbonylContact O-C 3.56Å; D144-G259 WeakPolarHBondContact O-CA 3.4Å; D144-S260 PolarHBondContact N-OG 3.48Å; D144-S260 PolarHBondContact O-N 3.19Å
145I94.9Very high95.8Very high37 Ų3750.7 Ų50.719%0.1927%0.272CS..EExtended strand (participates in β ladder)trans-66.9133.7177.5-58172000109.4L137 V142 G143 T190 V237 I257L137-I145 HydrophobicContact CD1-CD1 4.29Å; L137-I145 HydrophobicContact CD2-CD1 4.08Å; L137-I145 HydrophobicContact CD2-CG1 4.26Å; V142-I145 HydrophobicContact CG2-CG1 4.16Å; G143-I145 PolarHBondContact O-N 3.3Å; I145-T190 HydrophobicContact CG2-CG2 4.37Å; I145-V237 HydrophobicContact CB-CG2 4.28Å; I145-V237 HydrophobicContact CG2-CG1 3.77Å; I145-V237 HydrophobicContact CG2-CG2 4.09Å; I145-I257 HydrophobicContact CD1-CG2 4.5Å; I145-I257 HydrophobicContact CG1-CG2 4.21Å; I145-I257 HydrophobicContact CG2-CG2 3.72Å
146Q94.3Very high95.4Very high97 Ų9748.4 Ų48.445%0.45327%0.269SS..EExtended strand (participates in β ladder)trans-124.1-46.9-177-67.1176.4-29.100112.3C238 V258Q146-C238 PolarHBondContact O-N 2.95Å; Q146-V258 PolarHBondContact N-O 3.21Å
147V96.4Very high94.8Very high66 Ų6649.2 Ų49.240%0.427%0.273SS..EExtended strand (participates in β ladder)trans-134.6134.5-173.9-1790000110.3C238 V258V147-C238 CarbonylContact C-O 3.53Å; V147-C238 WeakPolarHBondContact CA-O 3.4Å; V147-V258 HydrophobicContact CB-CB 4.34Å; V147-V258 PolarHBondContact N-O 3.31Å; V147-V258 PolarHBondContact O-N 3.16Å
148C98Very high94.3Very high0 Ų049.7 Ų49.70%028%0.275CS..EExtended strand (participates in β ladder)trans-116.7130.9166.6-55.10000109.4L186 C238 C239 T240 M256C148-L186 HydrophobicContact CB-CD2 3.74Å; C148-C238 PolarHBondContact N-O 2.76Å; C148-C239 HydrophobicContact CB-CB 4.23Å; C148-C239 CarbonylContact O-C 3.53Å; C148-C239 WeakPolarHBondContact O-CA 3.34Å; C148-T240 PolarHBondContact O-N 3.41Å; C148-M256 CarbonylContact C-O 3.22Å; C148-M256 VanDerWaalsContact CA-O 3.28Å; C148-M256 WeakPolarHBondContact CA-O 3.45Å
149D98.4Very high93.6Very high25 Ų2548 Ų4813%0.13426%0.262CS..EExtended strand (participates in β ladder)trans-122.6127.5173.6-16857.3000108.8R151 T240 M256D149-R151 IonicContact OD2-CZ 3.33Å; D149-R151 IonicContact OD2-NE 3.89Å; D149-R151 PolarHBondContact OD2-NE 2.71Å; D149-R151 IonicContact OD2-NH2 2.95Å; D149-R151 PolarHBondContact OD2-NH2 2.91Å; D149-T240 CarbonylContact C-O 3.32Å; D149-T240 WeakPolarHBondContact CA-O 3.18Å; D149-M256 HydrophobicContact CB-CB 4.47Å; D149-M256 HydrophobicContact CB-CE 3.74Å; D149-M256 PolarHBondContact N-O 3.22Å; D149-M256 PolarHBondContact O-N 3.1Å
150V98.6Very high92.8Very high0 Ų049.2 Ų49.20%027%0.268CS..EExtended strand (participates in β ladder)trans-127.8132.8-178.8-177.80000110.5V152 I182 L186 T240 V241 T242 E254 V255V150-V152 HydrophobicContact CG1-CG2 4.13Å; V150-I182 HydrophobicContact CB-CG2 4.11Å; V150-I182 HydrophobicContact CG1-CD1 4Å; V150-I182 HydrophobicContact CG1-CG1 4.2Å; V150-I182 HydrophobicContact CG1-CG2 3.71Å; V150-I182 HydrophobicContact CG2-CG2 4.05Å; V150-L186 HydrophobicContact CG2-CD1 4.04Å; V150-L186 HydrophobicContact CG2-CD2 3.88Å; V150-L186 HydrophobicContact CG2-CG 4.25Å; V150-T240 PolarHBondContact N-O 3.48Å; V150-V241 HydrophobicContact CB-CB 4.44Å; V150-V241 HydrophobicContact CB-CG1 4.19Å; V150-V241 HydrophobicContact CB-CG2 4.15Å; V150-V241 HydrophobicContact CG1-CG1 4.3Å; V150-V241 HydrophobicContact CG2-CG2 4.42Å; V150-V241 WeakPolarHBondContact O-CA 3.25Å; V150-T242 PolarHBondContact O-N 3.38Å; V150-E254 WeakPolarHBondContact CA-O 3.26Å; V150-V255 HydrophobicContact CG1-CG2 3.9Å; V150-V255 HydrophobicContact CG2-CB 4.43Å; V150-V255 HydrophobicContact CG2-CG1 4.15Å; V150-V255 HydrophobicContact CG2-CG2 4.11Å
151R97.7Very high92.1Very high104 Ų10451.2 Ų51.239%0.39228%0.276SS..EExtended strand (participates in β ladder)trans-131.2116.9177.9-61.3174.7-167.3-175.11.3109.3D149 Y153 T242 E254D149-R151 IonicContact OD2-CZ 3.33Å; D149-R151 IonicContact OD2-NE 3.89Å; D149-R151 PolarHBondContact OD2-NE 2.71Å; D149-R151 IonicContact OD2-NH2 2.95Å; D149-R151 PolarHBondContact OD2-NH2 2.91Å; R151-Y153 HydrophobicContact CB-CE1 4.11Å; R151-Y153 HydrophobicContact CB-CE2 4.36Å; R151-T242 WeakPolarHBondContact CA-O 3.37Å; R151-E254 PolarHBondContact N-O 2.86Å; R151-E254 PolarHBondContact O-N 2.85Å
152V97.1Very high91.6Very high0 Ų053 Ų530%028%0.283CS..EExtended strand (participates in β ladder)trans-123.6106.7172.3-170.20000109.4V150 V178 I182 T242 L243 N244 F251 V252V150-V152 HydrophobicContact CG1-CG2 4.13Å; V152-V178 HydrophobicContact CB-CG1 4.04Å; V152-V178 HydrophobicContact CG1-CG1 3.82Å; V152-V178 HydrophobicContact CG2-CG1 4.11Å; V152-I182 HydrophobicContact CG2-CD1 4.07Å; V152-I182 HydrophobicContact CG2-CG1 4.22Å; V152-T242 PolarHBondContact N-O 2.73Å; V152-L243 HydrophobicContact CB-CD2 3.79Å; V152-L243 HydrophobicContact CG2-CD2 4.03Å; V152-L243 WeakPolarHBondContact O-CA 3.23Å; V152-N244 PolarHBondContact O-N 3.48Å; V152-F251 HydrophobicContact CG1-CE2 4.08Å; V152-F251 HydrophobicContact CG1-CZ 4.02Å; V152-V252 CarbonylContact C-O 3.09Å; V152-V252 VanDerWaalsContact CA-O 3.25Å; V152-V252 WeakPolarHBondContact CA-O 3.47Å
153Y95.4Very high91.2Very high55 Ų5554 Ų5422%0.21629%0.294CS..EExtended strand (participates in β ladder)trans-116.6142.6-180-49.8-27.3000110.1R151 T242 N244 M247 F251 V252R151-Y153 HydrophobicContact CB-CE1 4.11Å; R151-Y153 HydrophobicContact CB-CE2 4.36Å; Y153-T242 HydrophobicContact CE1-CG2 3.82Å; Y153-N244 CarbonylContact C-O 3.12Å; Y153-N244 VanDerWaalsContact CA-O 3.23Å; Y153-N244 WeakPolarHBondContact CA-O 3.45Å; Y153-N244 HydrophobicContact CD1-CB 3.47Å; Y153-N244 VanDerWaalsContact CD1-CB 3.47Å; Y153-N244 HydrophobicContact CE1-CB 3.98Å; Y153-N244 HydrophobicContact CG-CB 4.17Å; Y153-M247 HydrophobicContact CD2-SD 4.23Å; Y153-M247 HydrophobicContact CG-SD 4.41Å; Y153-F251 CarbonylContact O-C 3.56Å; Y153-F251 VanDerWaalsContact O-CA 3.32Å; Y153-F251 WeakPolarHBondContact O-CA 3.16Å; Y153-V252 HydrophobicContact CD2-CB 4.26Å; Y153-V252 HydrophobicContact CD2-CG2 4.44Å; Y153-V252 HydrophobicContact CG-CB 4.42Å; Y153-V252 PolarHBondContact N-O 3.01Å; Y153-V252 PolarHBondContact O-N 3.37Å
154G92.4Very high91Very high0 Ų055.4 Ų55.40%029%0.29CS..  trans-167.2-178.4-178.700000113.3N244 F245 M247G154-N244 PolarHBondContact N-O 3.26Å; G154-F245 CarbonylContact O-C 3.53Å; G154-F245 WeakPolarHBondContact O-CA 3.45Å; G154-M247 CarbonylContact C-O 3.48Å; G154-M247 PolarHBondContact O-N 3.07Å
155P90.4Very high90.8Very high74 Ų7451.1 Ų51.148%0.48127%0.268SS..SBendtrans-68.6173.1171.132.4-36000111L157 F245 M247P155-L157 PolarHBondContact O-N 2.74Å; P155-F245 CarbonylContact C-O 3.56Å; P155-F245 VanDerWaalsContact C-O 3.22Å; P155-M247 WeakPolarHBondContact CA-O 3.38Å
156S88.7Confident90.6Very high67 Ų6749.4 Ų49.447%0.46926%0.259SS..  trans-52135.7176.8-178.80000111.8L158 F245S156-L158 WeakPolarHBondContact OG-CB 3.19Å; S156-L158 PolarHBondContact OG-N 3.38Å; S156-L158 VanDerWaalsContact OG-N 3.15Å; S156-F245 VanDerWaalsContact CA-O 3.26Å; S156-F245 WeakPolarHBondContact CA-O 3.41Å; S156-F245 PolarHBondContact N-O 3.23Å; S156-F245 VanDerWaalsContact N-O 3.08Å
157L85.6Confident90.4Very high50 Ų5047.4 Ų47.426%0.26225%0.25SC..  trans-81.7-4.5172.2-61.9178.2000112.9P155 I177 F245P155-L157 PolarHBondContact O-N 2.74Å; L157-I177 HydrophobicContact CB-CD1 4.41Å; L157-I177 HydrophobicContact CD1-CB 4.31Å; L157-I177 HydrophobicContact CD1-CD1 4.13Å; L157-F245 HydrophobicContact CD1-CB 4.4Å; L157-F245 HydrophobicContact CD1-CD1 3.88Å; L157-F245 HydrophobicContact CD1-CD2 3.5Å; L157-F245 VanDerWaalsContact CD1-CD2 3.5Å; L157-F245 HydrophobicContact CD1-CE1 4.02Å; L157-F245 HydrophobicContact CD1-CE2 3.66Å; L157-F245 HydrophobicContact CD1-CG 3.62Å; L157-F245 HydrophobicContact CD1-CZ 3.93Å; L157-F245 HydrophobicContact CD2-CD1 3.66Å; L157-F245 HydrophobicContact CD2-CE1 3.87Å; L157-F245 HydrophobicContact CD2-CG 4.17Å; L157-F245 HydrophobicContact CG-CB 3.99Å; L157-F245 HydrophobicContact CG-CD1 3.59Å; L157-F245 HydrophobicContact CG-CD2 3.99Å; L157-F245 HydrophobicContact CG-CE1 4.09Å; L157-F245 HydrophobicContact CG-CE2 4.44Å; L157-F245 HydrophobicContact CG-CG 3.54Å
158L86.1Confident90.1Very high29 Ų2947.2 Ų47.215%0.15224%0.244CC..  trans-79134.9-178.2-57.5177.5000110.8S156 C166 V205 I211 V217S156-L158 WeakPolarHBondContact OG-CB 3.19Å; S156-L158 PolarHBondContact OG-N 3.38Å; S156-L158 VanDerWaalsContact OG-N 3.15Å; L158-C166 HydrophobicContact CD2-CB 4.5Å; L158-V205 HydrophobicContact CD1-CG1 4.15Å; L158-I211 HydrophobicContact CD1-CD1 4.48Å; L158-V217 HydrophobicContact CD1-CG1 4.33Å; L158-V217 HydrophobicContact CD1-CG2 3.94Å; L158-V217 HydrophobicContact CD2-CG1 3.99Å; L158-V217 HydrophobicContact CD2-CG2 4.42Å
159D80.6Confident89.6Confident78 Ų7853.5 Ų53.542%0.41728%0.277SS..  trans-69.6170.4174-63.7-56.2000112.2S161 T165D159-S161 PolarHBondContact O-N 3.2Å; D159-S161 VanDerWaalsContact O-N 3.11Å; D159-T165 PolarHBondContact OD2-OG1 3.27Å
160Q78.7Confident89.1Confident173 Ų17355.5 Ų55.581%0.80829%0.286SS*.SBendtrans-69.1-2.7173.3-62.6-175.310.500113.5L210Q160-L210 HydrophobicContact CB-CD1 4.07Å; Q160-L210 HydrophobicContact CG-CD1 4.47Å; Q160-L210 WeakPolarHBondContact O-CD1 3.33Å
161S81.8Confident88.6Confident78 Ų7855.5 Ų55.555%0.54529%0.286SS..SBendtrans-143157.3177.368.80000110.3D159 G163D159-S161 PolarHBondContact O-N 3.2Å; D159-S161 VanDerWaalsContact O-N 3.11Å; S161-G163 PolarHBondContact O-N 3.33Å
162Y84.6Confident88.3Confident53 Ų5350.5 Ų50.521%0.20827%0.268CS..  trans-66120.8177.2-168.5-94.1000111.1C166 E167 I211 R215 R216Y162-C166 HydrophobicContact CD2-CB 3.79Å; Y162-C166 HydrophobicContact CE2-CB 3.52Å; Y162-C166 HydrophobicContact CG-CB 4.48Å; Y162-E167 HydrophobicContact CE1-CG 4.24Å; Y162-E167 PolarHBondContact OH-OE1 3.43Å; Y162-I211 HydrophobicContact CD2-CD1 4.34Å; Y162-I211 HydrophobicContact CD2-CG1 4.33Å; Y162-I211 HydrophobicContact CD2-CG2 3.63Å; Y162-I211 HydrophobicContact CE2-CG2 4.2Å; Y162-R215 HydrophobicContact CD1-CG 4.47Å; Y162-R215 HydrophobicContact CD2-CB 3.97Å; Y162-R215 HydrophobicContact CE1-CG 4.45Å; Y162-R215 HydrophobicContact CE2-CB 3.89Å; Y162-R215 HydrophobicContact CG-CB 4.31Å; Y162-R216 PolarHBondContact OH-O 3.33Å; Y162-R216 VanDerWaalsContact OH-O 3.08Å
163G87.7Confident88.1Confident22 Ų2250.6 Ų50.623%0.22727%0.269CS..  trans-145.7-169.6-177.200000112.7S161 T165 C166S161-G163 PolarHBondContact O-N 3.33Å; G163-T165 PolarHBondContact O-N 3.16Å; G163-C166 VanDerWaalsContact O-CB 3.26Å; G163-C166 WeakPolarHBondContact O-CB 3.22Å; G163-C166 PolarHBondContact O-N 2.87Å
164W89.8Confident88.1Confident57 Ų5748 Ų4822%0.21626%0.258CS..G310 helixtrans-61.2-27.7-177.869.2-87.4000113.1P74 P75 C166 E167 M170 G171 I177P74-W164 HydrophobicContact CB-CB 4.16Å; P74-W164 HydrophobicContact CB-CD2 4.08Å; P74-W164 HydrophobicContact CB-CG 3.76Å; P74-W164 HydrophobicContact CG-CG 3.98Å; P75-W164 VanDerWaalsContact CD-CZ3 3.49Å; P75-W164 HydrophobicContact CG-CE3 4.23Å; P75-W164 HydrophobicContact CG-CH2 4.35Å; P75-W164 HydrophobicContact CG-CZ3 3.81Å; W164-C166 PolarHBondContact O-N 2.81Å; W164-E167 PolarHBondContact O-N 3.49Å; W164-M170 HydrophobicContact CB-CB 4.03Å; W164-M170 HydrophobicContact CB-CE 3.91Å; W164-M170 HydrophobicContact CB-SD 4.09Å; W164-G171 WeakPolarHBondContact CZ3-O 3.26Å; W164-I177 HydrophobicContact CH2-CD1 4.22Å; W164-I177 HydrophobicContact CH2-CG1 4.21Å; W164-I177 HydrophobicContact CZ3-CD1 4.31Å; W164-I177 HydrophobicContact CZ3-CG1 4.24Å
165T90.3Very high88.3Confident9 Ų948 Ų486%0.05526%0.258CS..G310 helixtrans-61.6-24.7175.548.90000112.7D159 G163 E167 I177 S219D159-T165 PolarHBondContact OD2-OG1 3.27Å; G163-T165 PolarHBondContact O-N 3.16Å; T165-E167 VanDerWaalsContact C-N 3.34Å; T165-I177 HydrophobicContact CG2-CD1 4.26Å; T165-S219 WeakPolarHBondContact O-CB 3.38Å; T165-S219 PolarHBondContact O-OG 3.19Å
166C89.8Confident88.5Confident0 Ų044.6 Ų44.60%024%0.236CC..G310 helixtrans-81.1-13.1177.2-56.20000113.3L158 Y162 G163 W164 V217 T218 S219L158-C166 HydrophobicContact CD2-CB 4.5Å; Y162-C166 HydrophobicContact CD2-CB 3.79Å; Y162-C166 HydrophobicContact CE2-CB 3.52Å; Y162-C166 HydrophobicContact CG-CB 4.48Å; G163-C166 VanDerWaalsContact O-CB 3.26Å; G163-C166 WeakPolarHBondContact O-CB 3.22Å; G163-C166 PolarHBondContact O-N 2.87Å; W164-C166 PolarHBondContact O-N 2.81Å; C166-V217 HydrophobicContact CB-CG2 4.29Å; C166-T218 PolarHBondContact O-N 3.24Å; C166-T218 PolarHBondContact O-OG1 3.42Å; C166-S219 VanDerWaalsContact C-OG 3.27Å; C166-S219 WeakPolarHBondContact CA-OG 3.45Å; C166-S219 PolarHBondContact O-N 3.26Å; C166-S219 PolarHBondContact O-OG 3.37Å
167E90.3Very high88.7Confident56 Ų5643 Ų4326%0.26222%0.222SC..  trans-115.7114.4-167.4-70.1-79.2-145.900111.6Y162 W164 T165 L169 M170 G172 T218Y162-E167 HydrophobicContact CE1-CG 4.24Å; Y162-E167 PolarHBondContact OH-OE1 3.43Å; W164-E167 PolarHBondContact O-N 3.49Å; T165-E167 VanDerWaalsContact C-N 3.34Å; E167-L169 VanDerWaalsContact C-N 3.29Å; E167-L169 PolarHBondContact O-N 3.09Å; E167-M170 HydrophobicContact CB-CB 3.97Å; E167-M170 HydrophobicContact CB-CG 3.78Å; E167-M170 HydrophobicContact CB-SD 4.08Å; E167-M170 HydrophobicContact CG-SD 4.33Å; E167-M170 PolarHBondContact O-N 3.43Å; E167-G172 WeakPolarHBondContact O-CA 3.49Å; E167-G172 PolarHBondContact O-N 3.04Å; E167-T218 WeakPolarHBondContact CA-OG1 3.45Å; E167-T218 PolarHBondContact OE2-OG1 3.3Å
168E89.4Confident89.1Confident61 Ų6141.3 Ų41.329%0.28521%0.214SC..G310 helixtrans-59.6-38.9-177.3-162.9-145.9134.500112.5M170 G171 T218 K351E168-M170 PolarHBondContact O-N 2.91Å; E168-G171 PolarHBondContact O-N 2.98Å; E168-T218 PolarHBondContact N-OG1 2.99Å; E168-K351 VanDerWaalsContact OE1-CD 3.28Å; E168-K351 WeakPolarHBondContact OE1-CD 3.3Å; E168-K351 WeakPolarHBondContact OE1-CE 3.24Å; E168-K351 IonicContact OE1-NZ 2.8Å; E168-K351 PolarHBondContact OE1-NZ 3.14Å
169L87.5Confident89.6Confident133 Ų13339.9 Ų39.970%0.69621%0.206SC*.G310 helixtrans-71.5-17.9179.3-65.4176.8000113.1E167 G171E167-L169 VanDerWaalsContact C-N 3.29Å; E167-L169 PolarHBondContact O-N 3.09Å; L169-G171 VanDerWaalsContact C-N 3.33Å
170M88.2Confident90.4Very high66 Ų6636.5 Ų36.533%0.32519%0.189SC..G310 helixtrans-93.35.3176.7-61-167.672.400112.7W164 E167 E168W164-M170 HydrophobicContact CB-CB 4.03Å; W164-M170 HydrophobicContact CB-CE 3.91Å; W164-M170 HydrophobicContact CB-SD 4.09Å; E167-M170 HydrophobicContact CB-CB 3.97Å; E167-M170 HydrophobicContact CB-CG 3.78Å; E167-M170 HydrophobicContact CB-SD 4.08Å; E167-M170 HydrophobicContact CG-SD 4.33Å; E167-M170 PolarHBondContact O-N 3.43Å; E168-M170 PolarHBondContact O-N 2.91Å
171G89.3Confident91.2Very high0 Ų029 Ų290%016%0.156CC..THydrogen-bonded Turntrans83.921.3-174.900000113.6W164 E168 L169 H176W164-G171 WeakPolarHBondContact CZ3-O 3.26Å; E168-G171 PolarHBondContact O-N 2.98Å; L169-G171 VanDerWaalsContact C-N 3.33Å; G171-H176 WeakPolarHBondContact O-CB 3.21Å
172G91Very high92Very high0 Ų025.3 Ų25.30%013%0.13CC..  trans-74.516317100000112.8E167E167-G172 WeakPolarHBondContact O-CA 3.49Å; E167-G172 PolarHBondContact O-N 3.04Å
173G93.3Very high92.6Very high2 Ų222.8 Ų22.82%0.02112%0.12CC..SBendtrans102.6164.3172.700000115L175 H176 I177 D220G173-L175 PolarHBondContact O-N 2.8Å; G173-H176 PolarHBondContact O-N 3.38Å; G173-I177 VanDerWaalsContact O-CB 3.3Å; G173-I177 WeakPolarHBondContact O-CB 2.75Å; G173-I177 VanDerWaalsContact O-CG1 3.3Å; G173-I177 WeakPolarHBondContact O-CG1 3.42Å; G173-I177 PolarHBondContact O-N 3.32Å; G173-D220 CarbonylContact C-O 3.55Å; G173-D220 VanDerWaalsContact CA-O 3.23Å; G173-D220 WeakPolarHBondContact CA-O 3.3Å; G173-D220 WeakPolarHBondContact CA-OD1 3.44Å
174G95.2Very high93.1Very high0 Ų022 Ų220%011%0.111CC..Hα-helixtrans-58.6-45.5-177.400000113.2H176 V178 G179 D220 L243G174-H176 PolarHBondContact O-N 3.01Å; G174-V178 PolarHBondContact O-N 3.33Å; G174-G179 PolarHBondContact O-N 2.66Å; G174-D220 WeakPolarHBondContact CA-OD2 3.32Å; G174-D220 PolarHBondContact N-O 3.28Å; G174-D220 PolarHBondContact N-OD1 3.4Å; G174-D220 PolarHBondContact N-OD2 3.28Å; G174-D220 VanDerWaalsContact N-OD2 3.13Å; G174-L243 WeakPolarHBondContact O-CD1 3.42Å
175L96.6Very high93.5Very high0 Ų019.3 Ų19.30%010%0.101CC..Iπ-helixtrans-59.6-46.4178.218065.2000111.9G173 G179 S180 L201 D220 F225 V347 V350 K351G173-L175 PolarHBondContact O-N 2.8Å; L175-G179 CarbonylContact O-C 3.57Å; L175-G179 WeakPolarHBondContact O-CA 3.25Å; L175-G179 PolarHBondContact O-N 2.8Å; L175-S180 PolarHBondContact O-N 3.42Å; L175-L201 HydrophobicContact CB-CD2 4.18Å; L175-L201 HydrophobicContact CD2-CD1 4.09Å; L175-L201 HydrophobicContact CD2-CD2 3.75Å; L175-L201 HydrophobicContact CD2-CG 4.39Å; L175-D220 PolarHBondContact N-OD2 2.93Å; L175-F225 HydrophobicContact CD1-CD1 4Å; L175-F225 HydrophobicContact CD1-CE1 3.75Å; L175-F225 HydrophobicContact CD1-CZ 4.36Å; L175-V347 HydrophobicContact CD2-CG1 3.89Å; L175-V347 HydrophobicContact CG-CG1 4.08Å; L175-V347 HydrophobicContact CG-CG2 4.34Å; L175-V350 HydrophobicContact CD1-CG1 4.12Å; L175-V350 HydrophobicContact CD2-CB 4.12Å; L175-V350 HydrophobicContact CD2-CG1 3.85Å; L175-K351 HydrophobicContact CD2-CG 3.96Å
176H94.1Very high93.8Very high2 Ų218.9 Ų18.91%0.00910%0.098CC..Iπ-helixtrans-73.2-48.6-178.6-97.7-81.1000112.5A98 G171 G173 G174 S180 Q344 V347 K351A98-H176 PolarHBondContact O-CE1 3.17Å; A98-H176 VanDerWaalsContact O-CE1 3.23Å; G171-H176 WeakPolarHBondContact O-CB 3.21Å; G173-H176 PolarHBondContact O-N 3.38Å; G174-H176 PolarHBondContact O-N 3.01Å; H176-S180 VanDerWaalsContact O-CB 3.27Å; H176-S180 WeakPolarHBondContact O-CB 3.14Å; H176-S180 PolarHBondContact O-OG 2.8Å; H176-Q344 PolarHBondContact CE1-OE1 2.88Å; H176-Q344 VanDerWaalsContact CE1-OE1 3.26Å; H176-V347 WeakPolarHBondContact NE2-CG1 3.2Å; H176-K351 VanDerWaalsContact CD2-CE 3.49Å; H176-K351 WeakPolarHBondContact CD2-CE 3.49Å; H176-K351 PolarHBondContact CD2-NZ 3.46Å; H176-K351 VanDerWaalsContact NE2-CE 3.27Å; H176-K351 WeakPolarHBondContact NE2-CE 3.28Å; H176-K351 PolarHBondContact NE2-NZ 2.83Å
177I92.6Very high94.1Very high34 Ų3419.5 Ų19.517%0.17410%0.103CC..Iπ-helixtrans-70.6-49.2-171.6-66171.2000110.6K96 L157 W164 T165 G173K96-I177 PolarHBondContact NZ-O 2.93Å; L157-I177 HydrophobicContact CB-CD1 4.41Å; L157-I177 HydrophobicContact CD1-CB 4.31Å; L157-I177 HydrophobicContact CD1-CD1 4.13Å; W164-I177 HydrophobicContact CH2-CD1 4.22Å; W164-I177 HydrophobicContact CH2-CG1 4.21Å; W164-I177 HydrophobicContact CZ3-CD1 4.31Å; W164-I177 HydrophobicContact CZ3-CG1 4.24Å; T165-I177 HydrophobicContact CG2-CD1 4.26Å; G173-I177 VanDerWaalsContact O-CB 3.3Å; G173-I177 WeakPolarHBondContact O-CB 2.75Å; G173-I177 VanDerWaalsContact O-CG1 3.3Å; G173-I177 WeakPolarHBondContact O-CG1 3.42Å; G173-I177 PolarHBondContact O-N 3.32Å
178V95.1Very high94.4Very high14 Ų1419 Ų199%0.08510%0.099CC..Iπ-helixtrans-106.8-43.6-174.5177.70000111.7V152 G174 S180 A181 I182 L243 F245V152-V178 HydrophobicContact CB-CG1 4.04Å; V152-V178 HydrophobicContact CG1-CG1 3.82Å; V152-V178 HydrophobicContact CG2-CG1 4.11Å; G174-V178 PolarHBondContact O-N 3.33Å; V178-S180 VanDerWaalsContact C-N 3.28Å; V178-S180 PolarHBondContact O-N 3.28Å; V178-A181 PolarHBondContact O-N 3.45Å; V178-I182 HydrophobicContact CG1-CG1 4.24Å; V178-I182 PolarHBondContact O-N 3.5Å; V178-I182 VanDerWaalsContact O-N 3.16Å; V178-L243 HydrophobicContact CG1-CD2 3.98Å; V178-F245 HydrophobicContact CB-CZ 3.8Å; V178-F245 HydrophobicContact CG1-CZ 4.2Å; V178-F245 HydrophobicContact CG2-CE1 3.98Å; V178-F245 HydrophobicContact CG2-CE2 4.4Å; V178-F245 HydrophobicContact CG2-CZ 3.48Å; V178-F245 VanDerWaalsContact CG2-CZ 3.48Å
179G96.6Very high94.7Very high0 Ų016.2 Ų16.20%09%0.086CC..Iπ-helixtrans-56.4-40.5-178.400000113G174 L175 A181 I182 I183G174-G179 PolarHBondContact O-N 2.66Å; L175-G179 CarbonylContact O-C 3.57Å; L175-G179 WeakPolarHBondContact O-CA 3.25Å; L175-G179 PolarHBondContact O-N 2.8Å; G179-A181 VanDerWaalsContact C-N 3.31Å; G179-A181 PolarHBondContact O-N 2.91Å; G179-I182 PolarHBondContact O-N 3.2Å; G179-I182 VanDerWaalsContact O-N 3.1Å; G179-I183 WeakPolarHBondContact O-CD1 3.39Å; G179-I183 VanDerWaalsContact O-CG1 3.26Å; G179-I183 WeakPolarHBondContact O-CG1 3.37Å; G179-I183 PolarHBondContact O-N 3.33Å
180S96.3Very high95.1Very high7 Ų710.8 Ų10.85%0.0496%0.058CC..Hα-helixtrans-53.9-44.8174.4-59.50000112.9L175 H176 V178 I182 D184 V343L175-S180 PolarHBondContact O-N 3.42Å; H176-S180 VanDerWaalsContact O-CB 3.27Å; H176-S180 WeakPolarHBondContact O-CB 3.14Å; H176-S180 PolarHBondContact O-OG 2.8Å; V178-S180 VanDerWaalsContact C-N 3.28Å; V178-S180 PolarHBondContact O-N 3.28Å; S180-I182 VanDerWaalsContact C-N 3.35Å; S180-D184 WeakPolarHBondContact O-CB 3.47Å; S180-D184 PolarHBondContact O-N 2.93Å; S180-D184 VanDerWaalsContact O-N 3.14Å; S180-V343 VanDerWaalsContact CA-CG1 3.49Å; S180-V343 WeakPolarHBondContact O-CG1 3.46Å
181A96.1Very high95.3Very high14 Ų1410.8 Ų10.812%0.1168%0.075CC..Hα-helixtrans-69.5-34.2179.900000112.1N122 L124 V178 G179 L185N122-A181 PolarHBondContact ND2-O 2.89Å; N122-A181 VanDerWaalsContact ND2-O 3.16Å; N122-A181 WeakPolarHBondContact OD1-CB 3.38Å; L124-A181 HydrophobicContact CD1-CB 3.92Å; V178-A181 PolarHBondContact O-N 3.45Å; G179-A181 VanDerWaalsContact C-N 3.31Å; G179-A181 PolarHBondContact O-N 2.91Å; A181-L185 VanDerWaalsContact O-CB 3.26Å; A181-L185 WeakPolarHBondContact O-CB 3.25Å; A181-L185 PolarHBondContact O-N 3.45Å
182I97.9Very high95.5Very high1 Ų112.1 Ų12.11%0.0058%0.083CC..Hα-helixtrans-71.9-42.4176.3-63.2-52.4000111.8L124 V150 V152 V178 G179 S180 D184 L185 L186 V241L124-I182 HydrophobicContact CD1-CD1 3.98Å; V150-I182 HydrophobicContact CB-CG2 4.11Å; V150-I182 HydrophobicContact CG1-CD1 4Å; V150-I182 HydrophobicContact CG1-CG1 4.2Å; V150-I182 HydrophobicContact CG1-CG2 3.71Å; V150-I182 HydrophobicContact CG2-CG2 4.05Å; V152-I182 HydrophobicContact CG2-CD1 4.07Å; V152-I182 HydrophobicContact CG2-CG1 4.22Å; V178-I182 HydrophobicContact CG1-CG1 4.24Å; V178-I182 PolarHBondContact O-N 3.5Å; V178-I182 VanDerWaalsContact O-N 3.16Å; G179-I182 PolarHBondContact O-N 3.2Å; G179-I182 VanDerWaalsContact O-N 3.1Å; S180-I182 VanDerWaalsContact C-N 3.35Å; I182-D184 VanDerWaalsContact C-N 3.31Å; I182-D184 PolarHBondContact O-N 2.87Å; I182-L185 PolarHBondContact O-N 3.48Å; I182-L186 HydrophobicContact CG2-CD1 3.9Å; I182-L186 HydrophobicContact CG2-CG 4.24Å; I182-L186 WeakPolarHBondContact O-CB 3.44Å; I182-L186 WeakPolarHBondContact O-CG 3.33Å; I182-L186 PolarHBondContact O-N 3Å; I182-V241 HydrophobicContact CG2-CG1 3.89Å; I182-V241 HydrophobicContact CG2-CG2 3.9Å
183I98.1Very high95.7Very high0 Ų016.9 Ų16.90%010%0.101CC..Hα-helixtrans-59.7-46.4176.7-68.8159.1000110.1G179 S187 F225 M227 Y342 V343 V346 V347G179-I183 WeakPolarHBondContact O-CD1 3.39Å; G179-I183 VanDerWaalsContact O-CG1 3.26Å; G179-I183 WeakPolarHBondContact O-CG1 3.37Å; G179-I183 PolarHBondContact O-N 3.33Å; I183-S187 WeakPolarHBondContact O-CB 3.15Å; I183-S187 PolarHBondContact O-N 2.93Å; I183-S187 VanDerWaalsContact O-N 3.1Å; I183-S187 PolarHBondContact O-OG 2.76Å; I183-F225 HydrophobicContact CD1-CE2 4.32Å; I183-F225 HydrophobicContact CD1-CZ 4.19Å; I183-F225 HydrophobicContact CG1-CE2 3.9Å; I183-F225 HydrophobicContact CG1-CZ 3.9Å; I183-M227 HydrophobicContact CG1-SD 4.07Å; I183-M227 HydrophobicContact CG2-SD 4.36Å; I183-Y342 HydrophobicContact CG2-CE1 4.04Å; I183-V343 HydrophobicContact CB-CG1 4.46Å; I183-V343 HydrophobicContact CG2-CG2 4.16Å; I183-V346 HydrophobicContact CD1-CB 4.21Å; I183-V346 HydrophobicContact CD1-CG1 3.67Å; I183-V346 HydrophobicContact CG1-CG1 4.02Å; I183-V346 HydrophobicContact CG2-CB 3.91Å; I183-V346 HydrophobicContact CG2-CG1 3.84Å; I183-V346 HydrophobicContact CG2-CG2 4.07Å; I183-V347 HydrophobicContact CD1-CG2 3.8Å
184D97.8Very high95.8Very high6 Ų617.1 Ų17.13%0.03210%0.103CC..Hα-helixtrans-59.3-49.7175.5-178.763.6000111.7N122 R125 S180 I182 L186 S187 Y188 V343N122-D184 WeakPolarHBondContact ND2-CB 3.47Å; N122-D184 PolarHBondContact ND2-OD2 3.24Å; R125-D184 IonicContact CZ-OD1 2.95Å; R125-D184 IonicContact CZ-OD2 2.72Å; R125-D184 IonicContact NE-OD1 3.74Å; R125-D184 PolarHBondContact NE-OD1 3.29Å; R125-D184 IonicContact NE-OD2 3.89Å; R125-D184 PolarHBondContact NE-OD2 3.09Å; R125-D184 IonicContact NH2-OD1 3.81Å; R125-D184 PolarHBondContact NH2-OD1 3.14Å; R125-D184 IonicContact NH2-OD2 3.5Å; S180-D184 WeakPolarHBondContact O-CB 3.47Å; S180-D184 PolarHBondContact O-N 2.93Å; S180-D184 VanDerWaalsContact O-N 3.14Å; I182-D184 VanDerWaalsContact C-N 3.31Å; I182-D184 PolarHBondContact O-N 2.87Å; D184-L186 PolarHBondContact O-N 3.02Å; D184-S187 PolarHBondContact O-N 3.31Å; D184-Y188 WeakPolarHBondContact O-CB 3.4Å; D184-Y188 PolarHBondContact O-N 3.28Å; D184-V343 HydrophobicContact CB-CG2 3.71Å
185L97.8Very high95.8Very high1 Ų121.5 Ų21.51%0.00512%0.123CC..Hα-helixtrans-60.8-46.1-179.8177.866.2000112.1L124 F130 A181 I182 S187 Y188 L189 V255L124-L185 HydrophobicContact CB-CD1 4.39Å; L124-L185 HydrophobicContact CB-CD2 4.36Å; L124-L185 HydrophobicContact CD1-CD2 4.13Å; F130-L185 HydrophobicContact CB-CD1 4.03Å; F130-L185 HydrophobicContact CD1-CD1 4.04Å; F130-L185 HydrophobicContact CD1-CD2 4.01Å; F130-L185 HydrophobicContact CD1-CG 4.49Å; F130-L185 HydrophobicContact CD2-CD1 3.97Å; F130-L185 HydrophobicContact CD2-CD2 3.86Å; F130-L185 HydrophobicContact CE1-CD2 3.73Å; F130-L185 HydrophobicContact CE2-CD2 3.56Å; F130-L185 HydrophobicContact CG-CD1 3.74Å; F130-L185 HydrophobicContact CG-CD2 4.11Å; F130-L185 HydrophobicContact CZ-CD2 3.53Å; A181-L185 VanDerWaalsContact O-CB 3.26Å; A181-L185 WeakPolarHBondContact O-CB 3.25Å; A181-L185 PolarHBondContact O-N 3.45Å; I182-L185 PolarHBondContact O-N 3.48Å; L185-S187 VanDerWaalsContact C-N 3.29Å; L185-S187 PolarHBondContact O-N 3.48Å; L185-Y188 WeakPolarHBondContact O-CB 3.45Å; L185-Y188 PolarHBondContact O-N 3.16Å; L185-L189 HydrophobicContact CD1-CD1 3.83Å; L185-L189 HydrophobicContact CD1-CG 3.98Å; L185-L189 HydrophobicContact CD2-CD1 4.34Å; L185-L189 HydrophobicContact CG-CD1 3.75Å; L185-L189 HydrophobicContact CG-CG 4.27Å; L185-L189 WeakPolarHBondContact O-CB 3.36Å; L185-L189 VanDerWaalsContact O-CG 3.28Å; L185-L189 WeakPolarHBondContact O-CG 3.37Å; L185-L189 PolarHBondContact O-N 3.01Å; L185-V255 HydrophobicContact CD2-CG2 4.13Å
186L97.6Very high95.8Very high0 Ų026.2 Ų26.20%014%0.141CC..Hα-helixtrans-63.6-37.1179-73.3174.7000111.9C148 V150 I182 D184 L189 T190 M227 C239 V241C148-L186 HydrophobicContact CB-CD2 3.74Å; V150-L186 HydrophobicContact CG2-CD1 4.04Å; V150-L186 HydrophobicContact CG2-CD2 3.88Å; V150-L186 HydrophobicContact CG2-CG 4.25Å; I182-L186 HydrophobicContact CG2-CD1 3.9Å; I182-L186 HydrophobicContact CG2-CG 4.24Å; I182-L186 WeakPolarHBondContact O-CB 3.44Å; I182-L186 WeakPolarHBondContact O-CG 3.33Å; I182-L186 PolarHBondContact O-N 3Å; D184-L186 PolarHBondContact O-N 3.02Å; L186-L189 PolarHBondContact O-N 3.45Å; L186-T190 WeakPolarHBondContact O-CB 3.4Å; L186-T190 VanDerWaalsContact O-CG2 3.26Å; L186-T190 WeakPolarHBondContact O-CG2 3.47Å; L186-T190 PolarHBondContact O-N 2.89Å; L186-T190 PolarHBondContact O-OG1 3.46Å; L186-M227 HydrophobicContact CB-CE 4.19Å; L186-M227 HydrophobicContact CD1-CE 3.47Å; L186-M227 VanDerWaalsContact CD1-CE 3.47Å; L186-M227 HydrophobicContact CG-CE 4.49Å; L186-C239 HydrophobicContact CD1-CB 4.06Å; L186-V241 HydrophobicContact CD1-CG2 3.82Å
187S96.1Very high96Very high13 Ų1326.1 Ų26.19%0.09114%0.14CC..Hα-helixtrans-71-36.7178.2-51.90000111.4I183 D184 L185 G191 T192 Y342I183-S187 WeakPolarHBondContact O-CB 3.15Å; I183-S187 PolarHBondContact O-N 2.93Å; I183-S187 VanDerWaalsContact O-N 3.1Å; I183-S187 PolarHBondContact O-OG 2.76Å; D184-S187 PolarHBondContact O-N 3.31Å; L185-S187 VanDerWaalsContact C-N 3.29Å; L185-S187 PolarHBondContact O-N 3.48Å; S187-G191 WeakPolarHBondContact O-CA 3.45Å; S187-G191 PolarHBondContact O-N 3.5Å; S187-T192 VanDerWaalsContact CA-O 3.3Å; S187-T192 WeakPolarHBondContact CA-O 3.34Å; S187-T192 WeakPolarHBondContact CB-O 3.44Å; S187-T192 PolarHBondContact O-N 3.5Å; S187-Y342 WeakPolarHBondContact OG-CE1 3.36Å; S187-Y342 PolarHBondContact OG-OH 3.13Å
188Y96.4Very high96.3Very high45 Ų4526.8 Ų26.818%0.17614%0.143CC..Hα-helixtrans-63.7-48.5170.9173.2-106.9000112.2R125 Q134 D184 L185 G191R125-Y188 HydrophobicContact CG-CD1 4.22Å; R125-Y188 HydrophobicContact CG-CG 4.21Å; Q134-Y188 HydrophobicContact CB-CE1 3.97Å; Q134-Y188 HydrophobicContact CG-CE1 3.9Å; Q134-Y188 PolarHBondContact NE2-O 3.24Å; D184-Y188 WeakPolarHBondContact O-CB 3.4Å; D184-Y188 PolarHBondContact O-N 3.28Å; L185-Y188 WeakPolarHBondContact O-CB 3.45Å; L185-Y188 PolarHBondContact O-N 3.16Å; Y188-G191 PolarHBondContact O-N 3.2Å
189L96.1Very high96.4Very high3 Ų326.3 Ų26.32%0.01614%0.14CC..Hα-helixtrans-66.9-41.1-176.2-70.6173.4000112.9F130 M133 Q134 L137 L185 L186 V255 I257F130-L189 HydrophobicContact CD1-CD1 4.02Å; F130-L189 HydrophobicContact CE1-CD1 4.4Å; M133-L189 HydrophobicContact CB-CD2 4.41Å; M133-L189 HydrophobicContact CG-CD2 4.22Å; M133-L189 HydrophobicContact SD-CD1 3.76Å; M133-L189 HydrophobicContact SD-CD2 4.2Å; Q134-L189 HydrophobicContact CB-CD2 4.16Å; Q134-L189 PolarHBondContact OE1-O 2.9Å; L137-L189 HydrophobicContact CD1-CB 4.06Å; L137-L189 HydrophobicContact CD1-CD2 4.14Å; L137-L189 WeakPolarHBondContact CD1-O 3.25Å; L185-L189 HydrophobicContact CD1-CD1 3.83Å; L185-L189 HydrophobicContact CD1-CG 3.98Å; L185-L189 HydrophobicContact CD2-CD1 4.34Å; L185-L189 HydrophobicContact CG-CD1 3.75Å; L185-L189 HydrophobicContact CG-CG 4.27Å; L185-L189 WeakPolarHBondContact O-CB 3.36Å; L185-L189 VanDerWaalsContact O-CG 3.28Å; L185-L189 WeakPolarHBondContact O-CG 3.37Å; L185-L189 PolarHBondContact O-N 3.01Å; L186-L189 PolarHBondContact O-N 3.45Å; L189-V255 HydrophobicContact CD1-CG1 4.29Å; L189-I257 HydrophobicContact CB-CD1 3.85Å; L189-I257 HydrophobicContact CD1-CD1 3.82Å; L189-I257 HydrophobicContact CG-CD1 4.36Å
190T94.4Very high96.5Very high19 Ų1928.4 Ų28.412%0.11715%0.151CC..Hα-helixtrans-82.5-17.4179.261.60000113.1I145 L186 T192 V237I145-T190 HydrophobicContact CG2-CG2 4.37Å; L186-T190 WeakPolarHBondContact O-CB 3.4Å; L186-T190 VanDerWaalsContact O-CG2 3.26Å; L186-T190 WeakPolarHBondContact O-CG2 3.47Å; L186-T190 PolarHBondContact O-N 2.89Å; L186-T190 PolarHBondContact O-OG1 3.46Å; T190-T192 PolarHBondContact O-N 3.15Å; T190-T192 PolarHBondContact OG1-N 3.27Å; T190-T192 PolarHBondContact OG1-OG1 3.32Å; T190-T192 VanDerWaalsContact OG1-OG1 3.08Å; T190-V237 HydrophobicContact CG2-CG1 4.21Å
191G93.6Very high96.6Very high65 Ų6529.2 Ų29.267%0.6716%0.155SC*.THydrogen-bonded Turntrans6615.5-17200000113.9S187 Y188S187-G191 WeakPolarHBondContact O-CA 3.45Å; S187-G191 PolarHBondContact O-N 3.5Å; Y188-G191 PolarHBondContact O-N 3.2Å
192T93.4Very high96.6Very high29 Ų2934.4 Ų34.418%0.17817%0.172CC..  trans-132.7165.7-175.964.90000111.2S187 T190 M229 G230S187-T192 VanDerWaalsContact CA-O 3.3Å; S187-T192 WeakPolarHBondContact CA-O 3.34Å; S187-T192 WeakPolarHBondContact CB-O 3.44Å; S187-T192 PolarHBondContact O-N 3.5Å; T190-T192 PolarHBondContact O-N 3.15Å; T190-T192 PolarHBondContact OG1-N 3.27Å; T190-T192 PolarHBondContact OG1-OG1 3.32Å; T190-T192 VanDerWaalsContact OG1-OG1 3.08Å; T192-M229 WeakPolarHBondContact O-CE 3.42Å; T192-M229 WeakPolarHBondContact OG1-CB 3.43Å; T192-G230 WeakPolarHBondContact CB-O 3.36Å; T192-G230 WeakPolarHBondContact CG2-O 3.4Å; T192-G230 PolarHBondContact OG1-O 3Å
193R95Very high96.4Very high99 Ų9936 Ų3637%0.37418%0.182SC..  trans-113.9151.7178.4-70.4-173.7175.1-167.7-3.9111.1M229 G230 D339 Y342 I364R193-M229 WeakPolarHBondContact O-CA 3.4Å; R193-G230 PolarHBondContact O-N 2.88Å; R193-G230 VanDerWaalsContact O-N 3.07Å; R193-D339 IonicContact NH2-OD1 3.19Å; R193-D339 PolarHBondContact NH2-OD1 2.7Å; R193-D339 VanDerWaalsContact NH2-OD1 3.16Å; R193-Y342 HydrophobicContact CB-CD2 4.31Å; R193-Y342 HydrophobicContact CB-CE2 3.64Å; R193-Y342 HydrophobicContact CG-CD2 4.13Å; R193-Y342 HydrophobicContact CG-CE1 4.3Å; R193-Y342 HydrophobicContact CG-CE2 3.8Å; R193-Y342 HydrophobicContact CG-CG 4.47Å; R193-I364 VanDerWaalsContact NH1-CD1 3.31Å
194A96.1Very high96.1Very high7 Ų742.4 Ų42.46%0.05821%0.209CC..EExtended strand (participates in β ladder)trans-65.2134.8173.100000109.9V197 M227 L228 M229 Y342 V346 V362A194-V197 HydrophobicContact CB-CG1 4.28Å; A194-M227 HydrophobicContact CB-CB 4.07Å; A194-M227 HydrophobicContact CB-SD 4.32Å; A194-L228 CarbonylContact C-O 3.58Å; A194-L228 WeakPolarHBondContact CA-O 3.27Å; A194-M229 VanDerWaalsContact CA-SD 3.56Å; A194-M229 HydrophobicContact CB-SD 3.63Å; A194-M229 PolarHBondContact N-SD 2.8Å; A194-Y342 PolarHBondContact N-OH 3.46Å; A194-V346 HydrophobicContact CB-CG2 4.34Å; A194-V362 HydrophobicContact CB-CG2 4.08Å; A194-V362 WeakPolarHBondContact O-CB 3.28Å
195H95.2Very high95.7Very high93 Ų9344.2 Ų44.243%0.43122%0.221SC..EExtended strand (participates in β ladder)trans-106.2-25.3170.666.375.2000111.9L228 C361 V362H195-L228 PolarHBondContact CD2-O 3.46Å; H195-L228 PolarHBondContact N-O 3.28Å; H195-C361 WeakPolarHBondContact O-CA 3.48Å; H195-V362 PolarHBondContact O-N 2.97Å
196R96.6Very high95Very high99 Ų9949.3 Ų49.337%0.37424%0.244SC..EExtended strand (participates in β ladder)trans-143.2145.7175.2-72.3178.280.7-171.18.2111.2L228 W359 V360R196-L228 HydrophobicContact CB-CB 4.4Å; R196-L228 HydrophobicContact CB-CD1 4.35Å; R196-L228 PolarHBondContact N-O 2.8Å; R196-L228 PolarHBondContact O-N 2.94Å; R196-W359 HydrophobicContact CB-CE3 4.04Å; R196-V360 CarbonylContact C-O 3.5Å; R196-V360 VanDerWaalsContact CA-O 3.26Å; R196-V360 WeakPolarHBondContact CA-O 3.28Å
197V98.3Very high94.3Very high0 Ų053.4 Ų53.40%026%0.264CS..EExtended strand (participates in β ladder)trans-133.2152.8177.1-60.70000112.1A194 Q226 M227 V346 A349 V350 W359 V360 V362A194-V197 HydrophobicContact CB-CG1 4.28Å; V197-Q226 VanDerWaalsContact CA-O 3.23Å; V197-Q226 WeakPolarHBondContact CA-O 3.38Å; V197-M227 HydrophobicContact CG1-CB 4.14Å; V197-M227 HydrophobicContact CG1-CG 3.81Å; V197-V346 HydrophobicContact CG1-CG1 4.11Å; V197-A349 HydrophobicContact CG2-CB 3.55Å; V197-V350 HydrophobicContact CB-CG2 3.98Å; V197-V350 HydrophobicContact CG1-CG2 4.36Å; V197-V350 HydrophobicContact CG2-CG2 3.89Å; V197-W359 WeakPolarHBondContact O-CA 3.47Å; V197-V360 HydrophobicContact CG2-CB 4.43Å; V197-V360 PolarHBondContact N-O 3.33Å; V197-V360 PolarHBondContact O-N 3.43Å; V197-V362 HydrophobicContact CG1-CG2 3.79Å; V197-V362 HydrophobicContact CG2-CG2 4.36Å
198H98.4Very high93.5Very high48 Ų4854.9 Ų54.922%0.22227%0.27CS..EExtended strand (participates in β ladder)trans-141.6135.6169.7174-90.8000110F225 Q226 S353 W359H198-F225 CarbonylContact O-C 3.16Å; H198-F225 VanDerWaalsContact O-CA 3.28Å; H198-F225 WeakPolarHBondContact O-CA 3.33Å; H198-Q226 PolarHBondContact N-O 2.92Å; H198-Q226 PolarHBondContact O-N 3.01Å; H198-S353 VanDerWaalsContact CA-OG 3.24Å; H198-S353 WeakPolarHBondContact CA-OG 3.19Å; H198-W359 HydrophobicContact CB-CD2 3.49Å; H198-W359 VanDerWaalsContact CB-CD2 3.49Å; H198-W359 HydrophobicContact CB-CE3 3.6Å; H198-W359 HydrophobicContact CB-CG 4.03Å; H198-W359 HydrophobicContact CB-CH2 3.93Å; H198-W359 HydrophobicContact CB-CZ2 3.82Å; H198-W359 HydrophobicContact CB-CZ3 3.82Å
199G97.7Very high92.5Very high3 Ų358.9 Ų58.93%0.03130%0.295CS..EExtended strand (participates in β ladder)trans-162.9170.5-177.500000115.3F224 S353 S354G199-F224 CarbonylContact C-O 3.53Å; G199-F224 WeakPolarHBondContact CA-O 3.46Å; G199-S353 PolarHBondContact N-OG 3.2Å; G199-S353 VanDerWaalsContact N-OG 3.07Å; G199-S354 WeakPolarHBondContact O-CA 3.5Å; G199-S354 PolarHBondContact O-N 2.99Å
200L97.7Very high91.7Very high44 Ų4464.2 Ų64.223%0.2332%0.323CS..EExtended strand (participates in β ladder)trans-130.7132.4176.4-17474.6000109.8R202 C223 F224L200-R202 HydrophobicContact CD2-CG 4.09Å; L200-R202 HydrophobicContact CG-CG 4.28Å; L200-C223 WeakPolarHBondContact O-CA 3.26Å; L200-F224 HydrophobicContact CB-CD1 3.95Å; L200-F224 HydrophobicContact CB-CE1 3.43Å; L200-F224 VanDerWaalsContact CB-CE1 3.43Å; L200-F224 HydrophobicContact CB-CE2 4.31Å; L200-F224 HydrophobicContact CB-CZ 3.62Å; L200-F224 HydrophobicContact CD2-CD1 4.36Å; L200-F224 HydrophobicContact CD2-CE1 3.52Å; L200-F224 HydrophobicContact CD2-CZ 4.16Å; L200-F224 HydrophobicContact CG-CE1 4.09Å; L200-F224 PolarHBondContact N-O 3.08Å; L200-F224 PolarHBondContact O-N 3.28Å; L200-F224 VanDerWaalsContact O-N 3.07Å
201L97.4Very high90.9Very high25 Ų2563.5 Ų63.513%0.13132%0.318CS..EExtended strand (participates in β ladder)trans-113.6137.6171.3-7879.4000109.4L175 D220 C223 V350 K351 S354L175-L201 HydrophobicContact CB-CD2 4.18Å; L175-L201 HydrophobicContact CD2-CD1 4.09Å; L175-L201 HydrophobicContact CD2-CD2 3.75Å; L175-L201 HydrophobicContact CD2-CG 4.39Å; L201-D220 HydrophobicContact CB-CB 4.17Å; L201-D220 HydrophobicContact CD2-CB 4.05Å; L201-D220 HydrophobicContact CG-CB 4.26Å; L201-C223 HydrophobicContact CG-CB 4.36Å; L201-V350 HydrophobicContact CD1-CG1 3.75Å; L201-K351 HydrophobicContact CD2-CG 4.18Å; L201-S354 PolarHBondContact N-OG 3.26Å
202R96.4Very high90Very high123 Ų12368.2 Ų68.246%0.46432%0.316SS..EExtended strand (participates in β ladder)trans-136.4142.2174.8-68.7-64.7-175.5-130.56.9110.4L200 F204 D220 D221 F222L200-R202 HydrophobicContact CD2-CG 4.09Å; L200-R202 HydrophobicContact CG-CG 4.28Å; R202-F204 HydrophobicContact CB-CD2 4.14Å; R202-F204 HydrophobicContact CB-CE2 3.69Å; R202-F204 HydrophobicContact CB-CZ 3.93Å; R202-F204 HydrophobicContact CG-CE2 4.35Å; R202-F204 HydrophobicContact CG-CZ 4.16Å; R202-D220 WeakPolarHBondContact O-CA 3.45Å; R202-D221 PolarHBondContact O-N 3Å; R202-D221 VanDerWaalsContact O-OD1 3.07Å; R202-F222 HydrophobicContact CB-CB 4.47Å; R202-F222 HydrophobicContact CB-CD1 4.4Å; R202-F222 PolarHBondContact N-O 3.42Å; R202-F222 PolarHBondContact O-N 2.81Å
203T95Very high89.1Confident35 Ų3569.2 Ų69.222%0.21533%0.332CS..  trans-113.897.9168.7-52.90000107.1Q206 V217 T218 S219T203-Q206 HydrophobicContact CG2-CG 4.1Å; T203-V217 HydrophobicContact CG2-CB 4.39Å; T203-V217 HydrophobicContact CG2-CG1 4.06Å; T203-T218 PolarHBondContact OG1-O 2.88Å; T203-S219 WeakPolarHBondContact CB-O 3.26Å; T203-S219 WeakPolarHBondContact CG2-O 3.36Å; T203-S219 PolarHBondContact OG1-O 3.08Å
204F92.2Very high88.2Confident133 Ų13372.8 Ų72.858%0.58336%0.357SS*.SBendtrans-80-37.8176.2-68.1-71.3000111.4R202 Q206 D221 F222R202-F204 HydrophobicContact CB-CD2 4.14Å; R202-F204 HydrophobicContact CB-CE2 3.69Å; R202-F204 HydrophobicContact CB-CZ 3.93Å; R202-F204 HydrophobicContact CG-CE2 4.35Å; R202-F204 HydrophobicContact CG-CZ 4.16Å; F204-Q206 PolarHBondContact O-N 3.39Å; F204-D221 WeakPolarHBondContact CA-OD2 3.27Å; F204-D221 VanDerWaalsContact CD2-OD1 3.31Å; F204-D221 WeakPolarHBondContact CD2-OD1 3.23Å; F204-D221 VanDerWaalsContact N-CG 3.32Å; F204-D221 PolarHBondContact N-OD1 3.38Å; F204-D221 PolarHBondContact N-OD2 2.98Å; F204-F222 HydrophobicContact CD2-CB 3.88Å; F204-F222 HydrophobicContact CE2-CB 3.6Å; F204-F222 HydrophobicContact CE2-CD1 4Å; F204-F222 AromaticContact CE2-CG 3.94Å; F204-F222 HydrophobicContact CE2-CG 3.94Å
205V88.1Confident87.4Confident44 Ų4479.9 Ų79.927%0.26738%0.382SS..  trans-95.482.4-180-173.40000110L158 N208 V217 D221L158-V205 HydrophobicContact CD1-CG1 4.15Å; V205-N208 HydrophobicContact CG1-CB 4.25Å; V205-V217 WeakPolarHBondContact O-CB 3.42Å; V205-D221 WeakPolarHBondContact CB-OD2 3.28Å; V205-D221 WeakPolarHBondContact CG2-OD2 3.41Å; V205-D221 PolarHBondContact N-OD2 3.21Å
206Q84.4Confident86.9Confident108 Ų10883 Ų8351%0.50539%0.39SS..SBendtrans-78.6-25.5177.8-64.7-178.4-9.600113.3T203 F204 V217T203-Q206 HydrophobicContact CG2-CG 4.1Å; F204-Q206 PolarHBondContact O-N 3.39Å; Q206-V217 PolarHBondContact O-N 3.05Å
207Q81.5Confident86.6Confident87 Ų8778.8 Ų78.841%0.40738%0.375SS..  trans-148.7153.5178.7-66.9-170.2-21.800109.2I211 G213Q207-I211 WeakPolarHBondContact CA-O 3.5Å; Q207-I211 WeakPolarHBondContact CB-O 3.1Å; Q207-G213 PolarHBondContact NE2-O 3.02Å
208N79Confident86.2Confident43 Ų4381.7 Ų81.723%0.2339%0.393CS..  trans-142.1-169.7174.869.925.7000110.8V205 L210 I211 R212V205-N208 HydrophobicContact CG1-CB 4.25Å; N208-L210 PolarHBondContact O-N 3.47Å; N208-L210 WeakPolarHBondContact OD1-CA 3.39Å; N208-L210 PolarHBondContact OD1-N 3.48Å; N208-I211 PolarHBondContact N-O 3.3Å; N208-I211 CarbonylContact O-C 3.53Å; N208-I211 WeakPolarHBondContact OD1-CB 3.3Å; N208-I211 PolarHBondContact OD1-N 3.04Å; N208-R212 WeakPolarHBondContact O-CG 3.21Å; N208-R212 PolarHBondContact O-NE 3.4Å
209N76.9Confident86Confident130 Ų13079.6 Ų79.670%0.69538%0.384SS*.SBendtrans-64.2-25.3-178.5-70.4-15.7000113.9R212N209-R212 PolarHBondContact O-NE 3.47Å; N209-R212 PolarHBondContact OD1-NH2 2.96Å
210L77.6Confident85.9Confident114 Ų11479.8 Ų79.860%0.59738%0.384SS*.SBendtrans-101.8-23.7-174.9-56.9169.8000111.8Q160 N208Q160-L210 HydrophobicContact CB-CD1 4.07Å; Q160-L210 HydrophobicContact CG-CD1 4.47Å; Q160-L210 WeakPolarHBondContact O-CD1 3.33Å; N208-L210 PolarHBondContact O-N 3.47Å; N208-L210 WeakPolarHBondContact OD1-CA 3.39Å; N208-L210 PolarHBondContact OD1-N 3.48Å
211I78.2Confident85.7Confident4 Ų478.5 Ų78.52%0.02138%0.377CS..SBendtrans-116.996-179.3-57.9169.1000107.9L158 Y162 Q207 N208 V217L158-I211 HydrophobicContact CD1-CD1 4.48Å; Y162-I211 HydrophobicContact CD2-CD1 4.34Å; Y162-I211 HydrophobicContact CD2-CG1 4.33Å; Y162-I211 HydrophobicContact CD2-CG2 3.63Å; Y162-I211 HydrophobicContact CE2-CG2 4.2Å; Q207-I211 WeakPolarHBondContact CA-O 3.5Å; Q207-I211 WeakPolarHBondContact CB-O 3.1Å; N208-I211 PolarHBondContact N-O 3.3Å; N208-I211 CarbonylContact O-C 3.53Å; N208-I211 WeakPolarHBondContact OD1-CB 3.3Å; N208-I211 PolarHBondContact OD1-N 3.04Å; I211-V217 HydrophobicContact CD1-CG2 4.12Å; I211-V217 HydrophobicContact CG2-CG2 4.24Å
212R74.1Confident85.7Confident164 Ų16479.6 Ų79.662%0.61938%0.381SS*.  trans-133.5163.4-177.3-61.9-175.7173.3176.10.4111.8N208 N209N208-R212 WeakPolarHBondContact O-CG 3.21Å; N208-R212 PolarHBondContact O-NE 3.4Å; N209-R212 PolarHBondContact O-NE 3.47Å; N209-R212 PolarHBondContact OD1-NH2 2.96Å
213G75.4Confident85.7Confident51 Ų5173.8 Ų73.853%0.52636%0.359SS..THydrogen-bonded Turntrans86.9-128.9172.700000112.9Q207Q207-G213 PolarHBondContact NE2-O 3.02Å
214I76.5Confident85.8Confident174 Ų17475.4 Ų75.489%0.89236%0.363SS*.THydrogen-bonded Turntrans-75.7-27.9-173.7-54.3171.4000111.5
215R78.9Confident86.1Confident156 Ų15669 Ų6959%0.58934%0.336SS*.  trans-77.3126.7177.9-65.9-178.4179.1179.20109.9Y162Y162-R215 HydrophobicContact CD1-CG 4.47Å; Y162-R215 HydrophobicContact CD2-CB 3.97Å; Y162-R215 HydrophobicContact CE1-CG 4.45Å; Y162-R215 HydrophobicContact CE2-CB 3.89Å; Y162-R215 HydrophobicContact CG-CB 4.31Å
216R84.5Confident86.6Confident159 Ų15970.4 Ų70.460%0.634%0.339SS*.  trans-123.2143.2176.2-68.7-175.9179.1-177.8-0.3109.2Y162Y162-R216 PolarHBondContact OH-O 3.33Å; Y162-R216 VanDerWaalsContact OH-O 3.08Å
217V89.6Confident87.3Confident9 Ų965.3 Ų65.36%0.05532%0.315CS..  trans-73.1126.2170.6-179.60000107.7L158 C166 T203 V205 Q206 I211 S219L158-V217 HydrophobicContact CD1-CG1 4.33Å; L158-V217 HydrophobicContact CD1-CG2 3.94Å; L158-V217 HydrophobicContact CD2-CG1 3.99Å; L158-V217 HydrophobicContact CD2-CG2 4.42Å; C166-V217 HydrophobicContact CB-CG2 4.29Å; T203-V217 HydrophobicContact CG2-CB 4.39Å; T203-V217 HydrophobicContact CG2-CG1 4.06Å; V205-V217 WeakPolarHBondContact O-CB 3.42Å; Q206-V217 PolarHBondContact O-N 3.05Å; I211-V217 HydrophobicContact CD1-CG2 4.12Å; I211-V217 HydrophobicContact CG2-CG2 4.24Å; V217-S219 WeakPolarHBondContact CG1-OG 3.44Å
218T91.5Very high88Confident62 Ų6263.4 Ų63.438%0.3831%0.308SS..  trans-106.8-20.1176.959.10000111.8C166 E167 E168 T203C166-T218 PolarHBondContact O-N 3.24Å; C166-T218 PolarHBondContact O-OG1 3.42Å; E167-T218 WeakPolarHBondContact CA-OG1 3.45Å; E167-T218 PolarHBondContact OE2-OG1 3.3Å; E168-T218 PolarHBondContact N-OG1 2.99Å; T203-T218 PolarHBondContact OG1-O 2.88Å
219S93.3Very high88.7Confident4 Ų461.4 Ų61.43%0.02830%0.297CS..SBendtrans-70.5151.6178.255.20000113.3T165 C166 T203 V217T165-S219 WeakPolarHBondContact O-CB 3.38Å; T165-S219 PolarHBondContact O-OG 3.19Å; C166-S219 VanDerWaalsContact C-OG 3.27Å; C166-S219 WeakPolarHBondContact CA-OG 3.45Å; C166-S219 PolarHBondContact O-N 3.26Å; C166-S219 PolarHBondContact O-OG 3.37Å; T203-S219 WeakPolarHBondContact CB-O 3.26Å; T203-S219 WeakPolarHBondContact CG2-O 3.36Å; T203-S219 PolarHBondContact OG1-O 3.08Å; V217-S219 WeakPolarHBondContact CG1-OG 3.44Å
220D95.6Very high89.1Confident7 Ų756.5 Ų56.54%0.03728%0.277CS..  trans-76.7139.5178.763.4-70.1000112.2G173 G174 L175 L201 R202G173-D220 CarbonylContact C-O 3.55Å; G173-D220 VanDerWaalsContact CA-O 3.23Å; G173-D220 WeakPolarHBondContact CA-O 3.3Å; G173-D220 WeakPolarHBondContact CA-OD1 3.44Å; G174-D220 WeakPolarHBondContact CA-OD2 3.32Å; G174-D220 PolarHBondContact N-O 3.28Å; G174-D220 PolarHBondContact N-OD1 3.4Å; G174-D220 PolarHBondContact N-OD2 3.28Å; G174-D220 VanDerWaalsContact N-OD2 3.13Å; L175-D220 PolarHBondContact N-OD2 2.93Å; L201-D220 HydrophobicContact CB-CB 4.17Å; L201-D220 HydrophobicContact CD2-CB 4.05Å; L201-D220 HydrophobicContact CG-CB 4.26Å; R202-D220 WeakPolarHBondContact O-CA 3.45Å
221D94.3Very high88.7Confident16 Ų1652.8 Ų52.89%0.08627%0.267CS..SBendtrans-108.9-11.7170.255.921.9000112.4R202 F204 V205 F245 N246R202-D221 PolarHBondContact O-N 3Å; R202-D221 VanDerWaalsContact O-OD1 3.07Å; F204-D221 WeakPolarHBondContact CA-OD2 3.27Å; F204-D221 VanDerWaalsContact CD2-OD1 3.31Å; F204-D221 WeakPolarHBondContact CD2-OD1 3.23Å; F204-D221 VanDerWaalsContact N-CG 3.32Å; F204-D221 PolarHBondContact N-OD1 3.38Å; F204-D221 PolarHBondContact N-OD2 2.98Å; V205-D221 WeakPolarHBondContact CB-OD2 3.28Å; V205-D221 WeakPolarHBondContact CG2-OD2 3.41Å; V205-D221 PolarHBondContact N-OD2 3.21Å; D221-F245 PolarHBondContact O-N 2.87Å; D221-N246 PolarHBondContact O-ND2 3.42Å
222F96.9Very high87.7Confident49 Ų4959 Ų5922%0.21531%0.305CS..EExtended strand (participates in β ladder)trans-138.5130.3172.5178.7-99.6000110.2R202 F204 F224 T242 L243 N244R202-F222 HydrophobicContact CB-CB 4.47Å; R202-F222 HydrophobicContact CB-CD1 4.4Å; R202-F222 PolarHBondContact N-O 3.42Å; R202-F222 PolarHBondContact O-N 2.81Å; F204-F222 HydrophobicContact CD2-CB 3.88Å; F204-F222 HydrophobicContact CE2-CB 3.6Å; F204-F222 HydrophobicContact CE2-CD1 4Å; F204-F222 AromaticContact CE2-CG 3.94Å; F204-F222 HydrophobicContact CE2-CG 3.94Å; F222-F224 AromaticContact CE1-CD1 3.85Å; F222-F224 HydrophobicContact CE1-CD1 3.85Å; F222-F224 HydrophobicContact CZ-CD1 4.2Å; F222-T242 HydrophobicContact CE2-CG2 4.13Å; F222-T242 HydrophobicContact CZ-CG2 4.46Å; F222-L243 WeakPolarHBondContact CA-O 3.43Å; F222-L243 WeakPolarHBondContact CD2-O 3.18Å; F222-N244 HydrophobicContact CD2-CB 3.97Å; F222-N244 HydrophobicContact CE2-CB 4.3Å
223C97.1Very high87Confident0 Ų054 Ų540%031%0.305CS..EExtended strand (participates in β ladder)trans-142.5138.1176.4-179.10000110L200 L201 L243L200-C223 WeakPolarHBondContact O-CA 3.26Å; L201-C223 HydrophobicContact CG-CB 4.36Å; C223-L243 HydrophobicContact CB-CB 4.39Å; C223-L243 PolarHBondContact N-O 3.5Å; C223-L243 PolarHBondContact O-N 2.95Å
224F96.9Very high85.9Confident69 Ų6957.9 Ų57.930%0.30332%0.323SS..EExtended strand (participates in β ladder)trans-130.1142.2159.974.2-94.2000109.5G199 L200 F222 V241 T242G199-F224 CarbonylContact C-O 3.53Å; G199-F224 WeakPolarHBondContact CA-O 3.46Å; L200-F224 HydrophobicContact CB-CD1 3.95Å; L200-F224 HydrophobicContact CB-CE1 3.43Å; L200-F224 VanDerWaalsContact CB-CE1 3.43Å; L200-F224 HydrophobicContact CB-CE2 4.31Å; L200-F224 HydrophobicContact CB-CZ 3.62Å; L200-F224 HydrophobicContact CD2-CD1 4.36Å; L200-F224 HydrophobicContact CD2-CE1 3.52Å; L200-F224 HydrophobicContact CD2-CZ 4.16Å; L200-F224 HydrophobicContact CG-CE1 4.09Å; L200-F224 PolarHBondContact N-O 3.08Å; L200-F224 PolarHBondContact O-N 3.28Å; L200-F224 VanDerWaalsContact O-N 3.07Å; F222-F224 AromaticContact CE1-CD1 3.85Å; F222-F224 HydrophobicContact CE1-CD1 3.85Å; F222-F224 HydrophobicContact CZ-CD1 4.2Å; F224-V241 CarbonylContact C-O 3.41Å; F224-V241 WeakPolarHBondContact CA-O 3.29Å; F224-T242 HydrophobicContact CB-CG2 4.46Å
225F98.5Very high85.5Confident0 Ų054.9 Ų54.90%032%0.318CS..EExtended strand (participates in β ladder)trans-148.9156.6177.462.1-87000111.3L175 I183 H198 M227 V241 L243 V350L175-F225 HydrophobicContact CD1-CD1 4Å; L175-F225 HydrophobicContact CD1-CE1 3.75Å; L175-F225 HydrophobicContact CD1-CZ 4.36Å; I183-F225 HydrophobicContact CD1-CE2 4.32Å; I183-F225 HydrophobicContact CD1-CZ 4.19Å; I183-F225 HydrophobicContact CG1-CE2 3.9Å; I183-F225 HydrophobicContact CG1-CZ 3.9Å; H198-F225 CarbonylContact O-C 3.16Å; H198-F225 VanDerWaalsContact O-CA 3.28Å; H198-F225 WeakPolarHBondContact O-CA 3.33Å; F225-M227 HydrophobicContact CD2-CG 3.89Å; F225-M227 HydrophobicContact CD2-SD 4.33Å; F225-M227 HydrophobicContact CE2-CE 4.31Å; F225-M227 HydrophobicContact CE2-CG 4.03Å; F225-M227 HydrophobicContact CE2-SD 3.9Å; F225-V241 HydrophobicContact CD1-CB 4.07Å; F225-V241 HydrophobicContact CD1-CG1 4.38Å; F225-V241 HydrophobicContact CD2-CB 4.2Å; F225-V241 HydrophobicContact CD2-CG2 4.25Å; F225-V241 HydrophobicContact CE1-CB 3.64Å; F225-V241 HydrophobicContact CE1-CG1 3.59Å; F225-V241 HydrophobicContact CE1-CG2 4.3Å; F225-V241 HydrophobicContact CE2-CB 3.78Å; F225-V241 HydrophobicContact CE2-CG1 4.37Å; F225-V241 HydrophobicContact CE2-CG2 3.58Å; F225-V241 HydrophobicContact CG-CB 4.34Å; F225-V241 HydrophobicContact CZ-CB 3.49Å; F225-V241 VanDerWaalsContact CZ-CB 3.49Å; F225-V241 HydrophobicContact CZ-CG1 3.59Å; F225-V241 HydrophobicContact CZ-CG2 3.62Å; F225-V241 PolarHBondContact N-O 3.46Å; F225-V241 PolarHBondContact O-N 3.14Å; F225-L243 HydrophobicContact CE1-CD1 4.19Å; F225-V350 HydrophobicContact CB-CG1 3.81Å; F225-V350 HydrophobicContact CB-CG2 4.07Å; F225-V350 HydrophobicContact CD1-CG1 4.47Å; F225-V350 HydrophobicContact CD2-CG2 4.13Å; F225-V350 HydrophobicContact CG-CG1 4.2Å; F225-V350 HydrophobicContact CG-CG2 4.14Å
226Q98.2Very high85.8Confident72 Ų7248.8 Ų48.834%0.33630%0.304SS..EExtended strand (participates in β ladder)trans-119.6141.9178.1-64.8178.2-39.200108.6V197 H198 C239 T240 W359V197-Q226 VanDerWaalsContact CA-O 3.23Å; V197-Q226 WeakPolarHBondContact CA-O 3.38Å; H198-Q226 PolarHBondContact N-O 2.92Å; H198-Q226 PolarHBondContact O-N 3.01Å; Q226-C239 CarbonylContact C-O 3.6Å; Q226-C239 WeakPolarHBondContact CA-O 3.18Å; Q226-T240 HydrophobicContact CG-CG2 4.32Å; Q226-W359 HydrophobicContact CB-CH2 3.96Å
227M97.9Very high86.3Confident1 Ų141.6 Ų41.61%0.00528%0.278CS..EExtended strand (participates in β ladder)trans-127131174.2-48.2-175-68.800109.2I183 L186 A194 V197 F225 M229 C239 V346I183-M227 HydrophobicContact CG1-SD 4.07Å; I183-M227 HydrophobicContact CG2-SD 4.36Å; L186-M227 HydrophobicContact CB-CE 4.19Å; L186-M227 HydrophobicContact CD1-CE 3.47Å; L186-M227 VanDerWaalsContact CD1-CE 3.47Å; L186-M227 HydrophobicContact CG-CE 4.49Å; A194-M227 HydrophobicContact CB-CB 4.07Å; A194-M227 HydrophobicContact CB-SD 4.32Å; V197-M227 HydrophobicContact CG1-CB 4.14Å; V197-M227 HydrophobicContact CG1-CG 3.81Å; F225-M227 HydrophobicContact CD2-CG 3.89Å; F225-M227 HydrophobicContact CD2-SD 4.33Å; F225-M227 HydrophobicContact CE2-CE 4.31Å; F225-M227 HydrophobicContact CE2-CG 4.03Å; F225-M227 HydrophobicContact CE2-SD 3.9Å; M227-M229 HydrophobicContact CB-SD 3.82Å; M227-M229 HydrophobicContact CE-SD 4.07Å; M227-M229 HydrophobicContact SD-SD 4.44Å; M227-C239 HydrophobicContact CB-CB 4.12Å; M227-C239 HydrophobicContact CE-CB 3.89Å; M227-C239 PolarHBondContact N-O 3.1Å; M227-C239 PolarHBondContact O-N 3.27Å; M227-V346 HydrophobicContact SD-CG1 3.87Å
228L96.4Very high86.6Confident47 Ų4744 Ų4425%0.24629%0.294CS..EExtended strand (participates in β ladder)trans-94.8112.2166.7-61.3177.4000107.2A194 H195 R196 W359A194-L228 CarbonylContact C-O 3.58Å; A194-L228 WeakPolarHBondContact CA-O 3.27Å; H195-L228 PolarHBondContact CD2-O 3.46Å; H195-L228 PolarHBondContact N-O 3.28Å; R196-L228 HydrophobicContact CB-CB 4.4Å; R196-L228 HydrophobicContact CB-CD1 4.35Å; R196-L228 PolarHBondContact N-O 2.8Å; R196-L228 PolarHBondContact O-N 2.94Å; L228-W359 HydrophobicContact CD1-CE3 4.25Å; L228-W359 HydrophobicContact CD1-CH2 4.05Å; L228-W359 HydrophobicContact CD1-CZ3 3.81Å; L228-W359 HydrophobicContact CD2-CH2 4.34Å; L228-W359 HydrophobicContact CG-CH2 3.88Å; L228-W359 HydrophobicContact CG-CZ3 3.68Å
229M93.7Very high86.9Confident1 Ų141.1 Ų41.11%0.00528%0.276CS..EExtended strand (participates in β ladder)trans-96.7158.4-179.2-42.7-71.6-7300110.3T192 R193 A194 M227 V237 C239T192-M229 WeakPolarHBondContact O-CE 3.42Å; T192-M229 WeakPolarHBondContact OG1-CB 3.43Å; R193-M229 WeakPolarHBondContact O-CA 3.4Å; A194-M229 VanDerWaalsContact CA-SD 3.56Å; A194-M229 HydrophobicContact CB-SD 3.63Å; A194-M229 PolarHBondContact N-SD 2.8Å; M227-M229 HydrophobicContact CB-SD 3.82Å; M227-M229 HydrophobicContact CE-SD 4.07Å; M227-M229 HydrophobicContact SD-SD 4.44Å; M229-V237 HydrophobicContact CB-CB 4.07Å; M229-V237 HydrophobicContact CG-CB 4.34Å; M229-V237 PolarHBondContact N-O 3.22Å; M229-V237 PolarHBondContact O-N 2.73Å; M229-C239 VanDerWaalsContact CG-SG 3.55Å
230G85.8Confident87.1Confident28 Ų2842.8 Ų42.829%0.28929%0.286SS..  trans-57.2166.2164.100000112.2T192 R193T192-G230 WeakPolarHBondContact CB-O 3.36Å; T192-G230 WeakPolarHBondContact CG2-O 3.4Å; T192-G230 PolarHBondContact OG1-O 3Å; R193-G230 PolarHBondContact O-N 2.88Å; R193-G230 VanDerWaalsContact O-N 3.07Å
231G68.9Low87.3Confident36 Ų3642.4 Ų42.437%0.37129%0.285SS..  trans-154.7156.1176.600000112.7G233G231-G233 PolarHBondContact O-N 3.02Å
232T57.5Low87.5Confident135 Ų13543 Ų4383%0.82829%0.288SS*.SBendtrans-79.664.6169.550.50000109.3
233G58.9Low87.5Confident59 Ų5940.6 Ų40.661%0.60828%0.278SS*.SBendtrans160.7179.5-176.600000113.3G231 S235G231-G233 PolarHBondContact O-N 3.02Å; G233-S235 VanDerWaalsContact C-N 3.3Å; G233-S235 PolarHBondContact O-N 3.48Å
234S52.8Low87.5Confident131 Ų13142.6 Ų42.692%0.91629%0.289SS*.THydrogen-bonded Turntrans-76.5-4.9-176.146.50000115.5
235S68.6Low87.4Confident111 Ų11139.5 Ų39.578%0.77628%0.275SS*.THydrogen-bonded Turntrans-114.5-7.6-167-620000116.4G233G233-S235 VanDerWaalsContact C-N 3.3Å; G233-S235 PolarHBondContact O-N 3.48Å
236G85.4Confident87Confident29 Ų2942.5 Ų42.530%0.29929%0.291SS..  trans61.1178.4-17800000114
237V94.3Very high86.5Confident8 Ų842.1 Ų42.15%0.04829%0.29CS..EExtended strand (participates in β ladder)trans-113.6130.1172.8-176.90000109.6I145 T190 M229I145-V237 HydrophobicContact CB-CG2 4.28Å; I145-V237 HydrophobicContact CG2-CG1 3.77Å; I145-V237 HydrophobicContact CG2-CG2 4.09Å; T190-V237 HydrophobicContact CG2-CG1 4.21Å; M229-V237 HydrophobicContact CB-CB 4.07Å; M229-V237 HydrophobicContact CG-CB 4.34Å; M229-V237 PolarHBondContact N-O 3.22Å; M229-V237 PolarHBondContact O-N 2.73Å
238C96Very high85.8Confident59 Ų5947.5 Ų47.540%0.39933%0.325SS..EExtended strand (participates in β ladder)trans-98.4115.1177-69.10000110.3Q146 V147 C148Q146-C238 PolarHBondContact O-N 2.95Å; V147-C238 CarbonylContact C-O 3.53Å; V147-C238 WeakPolarHBondContact CA-O 3.4Å; C148-C238 PolarHBondContact N-O 2.76Å
239C97.9Very high84.7Confident1 Ų149.4 Ų49.41%0.00736%0.356CS..EExtended strand (participates in β ladder)trans-104.2132.9175.6-60.90000110.1C148 L186 Q226 M227 M229C148-C239 HydrophobicContact CB-CB 4.23Å; C148-C239 CarbonylContact O-C 3.53Å; C148-C239 WeakPolarHBondContact O-CA 3.34Å; L186-C239 HydrophobicContact CD1-CB 4.06Å; Q226-C239 CarbonylContact C-O 3.6Å; Q226-C239 WeakPolarHBondContact CA-O 3.18Å; M227-C239 HydrophobicContact CB-CB 4.12Å; M227-C239 HydrophobicContact CE-CB 3.89Å; M227-C239 PolarHBondContact N-O 3.1Å; M227-C239 PolarHBondContact O-N 3.27Å; M229-C239 VanDerWaalsContact CG-SG 3.55Å
240T98.3Very high83.9Confident39 Ų3951.7 Ų51.724%0.23937%0.373CS..EExtended strand (participates in β ladder)trans-120.8133.1168.6-57.40000109.3C148 D149 V150 Q226C148-T240 PolarHBondContact O-N 3.41Å; D149-T240 CarbonylContact C-O 3.32Å; D149-T240 WeakPolarHBondContact CA-O 3.18Å; V150-T240 PolarHBondContact N-O 3.48Å; Q226-T240 HydrophobicContact CG-CG2 4.32Å
241V98.7Very high84Confident0 Ų054 Ų540%038%0.375CS..EExtended strand (participates in β ladder)trans-128.5131.1-179.2-175.50000108.7V150 I182 L186 F224 F225 L243V150-V241 HydrophobicContact CB-CB 4.44Å; V150-V241 HydrophobicContact CB-CG1 4.19Å; V150-V241 HydrophobicContact CB-CG2 4.15Å; V150-V241 HydrophobicContact CG1-CG1 4.3Å; V150-V241 HydrophobicContact CG2-CG2 4.42Å; V150-V241 WeakPolarHBondContact O-CA 3.25Å; I182-V241 HydrophobicContact CG2-CG1 3.89Å; I182-V241 HydrophobicContact CG2-CG2 3.9Å; L186-V241 HydrophobicContact CD1-CG2 3.82Å; F224-V241 CarbonylContact C-O 3.41Å; F224-V241 WeakPolarHBondContact CA-O 3.29Å; F225-V241 HydrophobicContact CD1-CB 4.07Å; F225-V241 HydrophobicContact CD1-CG1 4.38Å; F225-V241 HydrophobicContact CD2-CB 4.2Å; F225-V241 HydrophobicContact CD2-CG2 4.25Å; F225-V241 HydrophobicContact CE1-CB 3.64Å; F225-V241 HydrophobicContact CE1-CG1 3.59Å; F225-V241 HydrophobicContact CE1-CG2 4.3Å; F225-V241 HydrophobicContact CE2-CB 3.78Å; F225-V241 HydrophobicContact CE2-CG1 4.37Å; F225-V241 HydrophobicContact CE2-CG2 3.58Å; F225-V241 HydrophobicContact CG-CB 4.34Å; F225-V241 HydrophobicContact CZ-CB 3.49Å; F225-V241 VanDerWaalsContact CZ-CB 3.49Å; F225-V241 HydrophobicContact CZ-CG1 3.59Å; F225-V241 HydrophobicContact CZ-CG2 3.62Å; F225-V241 PolarHBondContact N-O 3.46Å; F225-V241 PolarHBondContact O-N 3.14Å; V241-L243 HydrophobicContact CG1-CD2 3.8Å; V241-L243 HydrophobicContact CG1-CG 4.04Å
242T98.4Very high85.1Confident27 Ų2754.8 Ų54.817%0.16637%0.372CS..EExtended strand (participates in β ladder)trans-124.7123.4172.5-53.10000109.8V150 R151 V152 Y153 F222 F224V150-T242 PolarHBondContact O-N 3.38Å; R151-T242 WeakPolarHBondContact CA-O 3.37Å; V152-T242 PolarHBondContact N-O 2.73Å; Y153-T242 HydrophobicContact CE1-CG2 3.82Å; F222-T242 HydrophobicContact CE2-CG2 4.13Å; F222-T242 HydrophobicContact CZ-CG2 4.46Å; F224-T242 HydrophobicContact CB-CG2 4.46Å
243L97.9Very high86.9Confident0 Ų048.6 Ų48.60%033%0.334CS..EExtended strand (participates in β ladder)trans-117.5120.9179.6-51.9179.6000108.6V152 G174 V178 F222 C223 F225 V241 F245V152-L243 HydrophobicContact CB-CD2 3.79Å; V152-L243 HydrophobicContact CG2-CD2 4.03Å; V152-L243 WeakPolarHBondContact O-CA 3.23Å; G174-L243 WeakPolarHBondContact O-CD1 3.42Å; V178-L243 HydrophobicContact CG1-CD2 3.98Å; F222-L243 WeakPolarHBondContact CA-O 3.43Å; F222-L243 WeakPolarHBondContact CD2-O 3.18Å; C223-L243 HydrophobicContact CB-CB 4.39Å; C223-L243 PolarHBondContact N-O 3.5Å; C223-L243 PolarHBondContact O-N 2.95Å; F225-L243 HydrophobicContact CE1-CD1 4.19Å; V241-L243 HydrophobicContact CG1-CD2 3.8Å; V241-L243 HydrophobicContact CG1-CG 4.04Å; L243-F245 HydrophobicContact CB-CE2 3.85Å; L243-F245 HydrophobicContact CB-CZ 4.37Å
244N96.1Very high88.8Confident41 Ų4147.7 Ų47.722%0.21931%0.314CS..EExtended strand (participates in β ladder)trans-135.9106.3-177.4-177.19.1000111.5V152 Y153 G154 F222 N246V152-N244 PolarHBondContact O-N 3.48Å; Y153-N244 CarbonylContact C-O 3.12Å; Y153-N244 VanDerWaalsContact CA-O 3.23Å; Y153-N244 WeakPolarHBondContact CA-O 3.45Å; Y153-N244 HydrophobicContact CD1-CB 3.47Å; Y153-N244 VanDerWaalsContact CD1-CB 3.47Å; Y153-N244 HydrophobicContact CE1-CB 3.98Å; Y153-N244 HydrophobicContact CG-CB 4.17Å; G154-N244 PolarHBondContact N-O 3.26Å; F222-N244 HydrophobicContact CD2-CB 3.97Å; F222-N244 HydrophobicContact CE2-CB 4.3Å; N244-N246 WeakPolarHBondContact OD1-CB 3.31Å; N244-N246 PolarHBondContact OD1-N 3.01Å; N244-N246 PolarHBondContact OD1-ND2 3.06Å
245F94.4Very high91Very high5 Ų541.5 Ų41.52%0.02227%0.27CS..  trans-100.520-179.8-58.3-71.6000112.9G154 P155 S156 L157 V178 D221 L243G154-F245 CarbonylContact O-C 3.53Å; G154-F245 WeakPolarHBondContact O-CA 3.45Å; P155-F245 CarbonylContact C-O 3.56Å; P155-F245 VanDerWaalsContact C-O 3.22Å; S156-F245 VanDerWaalsContact CA-O 3.26Å; S156-F245 WeakPolarHBondContact CA-O 3.41Å; S156-F245 PolarHBondContact N-O 3.23Å; S156-F245 VanDerWaalsContact N-O 3.08Å; L157-F245 HydrophobicContact CD1-CB 4.4Å; L157-F245 HydrophobicContact CD1-CD1 3.88Å; L157-F245 HydrophobicContact CD1-CD2 3.5Å; L157-F245 VanDerWaalsContact CD1-CD2 3.5Å; L157-F245 HydrophobicContact CD1-CE1 4.02Å; L157-F245 HydrophobicContact CD1-CE2 3.66Å; L157-F245 HydrophobicContact CD1-CG 3.62Å; L157-F245 HydrophobicContact CD1-CZ 3.93Å; L157-F245 HydrophobicContact CD2-CD1 3.66Å; L157-F245 HydrophobicContact CD2-CE1 3.87Å; L157-F245 HydrophobicContact CD2-CG 4.17Å; L157-F245 HydrophobicContact CG-CB 3.99Å; L157-F245 HydrophobicContact CG-CD1 3.59Å; L157-F245 HydrophobicContact CG-CD2 3.99Å; L157-F245 HydrophobicContact CG-CE1 4.09Å; L157-F245 HydrophobicContact CG-CE2 4.44Å; L157-F245 HydrophobicContact CG-CG 3.54Å; V178-F245 HydrophobicContact CB-CZ 3.8Å; V178-F245 HydrophobicContact CG1-CZ 4.2Å; V178-F245 HydrophobicContact CG2-CE1 3.98Å; V178-F245 HydrophobicContact CG2-CE2 4.4Å; V178-F245 HydrophobicContact CG2-CZ 3.48Å; V178-F245 VanDerWaalsContact CG2-CZ 3.48Å; D221-F245 PolarHBondContact O-N 2.87Å; L243-F245 HydrophobicContact CB-CE2 3.85Å; L243-F245 HydrophobicContact CB-CZ 4.37Å
246N90.9Very high92.4Very high63 Ų6338.1 Ų38.134%0.33724%0.243SC..  trans-10112.5175.3-58-76.5000112.4D221 N244 P248D221-N246 PolarHBondContact O-ND2 3.42Å; N244-N246 WeakPolarHBondContact OD1-CB 3.31Å; N244-N246 PolarHBondContact OD1-N 3.01Å; N244-N246 PolarHBondContact OD1-ND2 3.06Å; N246-P248 WeakPolarHBondContact O-CD 3.44Å
247M88.7Confident93Very high64 Ų6436.7 Ų36.732%0.31523%0.228SC..  trans-98.8111-175-169.6179-170.200111.5Y153 G154 P155 S250 V252Y153-M247 HydrophobicContact CD2-SD 4.23Å; Y153-M247 HydrophobicContact CG-SD 4.41Å; G154-M247 CarbonylContact C-O 3.48Å; G154-M247 PolarHBondContact O-N 3.07Å; P155-M247 WeakPolarHBondContact CA-O 3.38Å; M247-S250 WeakPolarHBondContact CE-OG 2.94Å; M247-V252 HydrophobicContact SD-CG2 4.47Å
248P82.5Confident93.1Very high113 Ų11338.5 Ų38.573%0.73424%0.239SC*.  trans-73.9147.8177.729.8-33.8000112.1N246 S250N246-P248 WeakPolarHBondContact O-CD 3.44Å; P248-S250 VanDerWaalsContact C-N 3.28Å; P248-S250 PolarHBondContact O-N 3.22Å; P248-S250 VanDerWaalsContact O-N 3.11Å
249G72.3Confident93.1Very high88 Ų8835.9 Ų35.991%0.90722%0.222SC*.SBendtrans77.1-8.8160.400000117.6
250S78.3Confident92.9Very high49 Ų4938.4 Ų38.434%0.34324%0.24SC..  trans-142.4148175.865.30000111.8M247 P248M247-S250 WeakPolarHBondContact CE-OG 2.94Å; P248-S250 VanDerWaalsContact C-N 3.28Å; P248-S250 PolarHBondContact O-N 3.22Å; P248-S250 VanDerWaalsContact O-N 3.11Å
251F87.3Confident92.8Very high76 Ų7638.2 Ų38.233%0.33324%0.242SC..  trans-113.6117.5171.8-178.3-96.9000108.3V152 Y153 H253 P299V152-F251 HydrophobicContact CG1-CE2 4.08Å; V152-F251 HydrophobicContact CG1-CZ 4.02Å; Y153-F251 CarbonylContact O-C 3.56Å; Y153-F251 VanDerWaalsContact O-CA 3.32Å; Y153-F251 WeakPolarHBondContact O-CA 3.16Å; F251-H253 HydrophobicContact CD1-CB 4.3Å; F251-H253 HydrophobicContact CE1-CB 3.58Å; F251-H253 HydrophobicContact CZ-CB 4.16Å; F251-P299 HydrophobicContact CD1-CB 3.78Å; F251-P299 HydrophobicContact CD1-CG 4.37Å; F251-P299 HydrophobicContact CD2-CB 4.39Å; F251-P299 HydrophobicContact CD2-CG 4.09Å; F251-P299 HydrophobicContact CE1-CB 3.4Å; F251-P299 VanDerWaalsContact CE1-CB 3.4Å; F251-P299 HydrophobicContact CE1-CG 4.01Å; F251-P299 HydrophobicContact CE2-CB 4.08Å; F251-P299 HydrophobicContact CE2-CG 3.71Å; F251-P299 HydrophobicContact CG-CB 4.24Å; F251-P299 HydrophobicContact CG-CG 4.4Å; F251-P299 HydrophobicContact CZ-CB 3.58Å; F251-P299 HydrophobicContact CZ-CG 3.66Å
252V92.7Very high92.7Very high52 Ų5238.3 Ų38.332%0.31524%0.244SC..EExtended strand (participates in β ladder)trans-106.8129.1176.2-179.90000107.4V152 Y153 M247V152-V252 CarbonylContact C-O 3.09Å; V152-V252 VanDerWaalsContact CA-O 3.25Å; V152-V252 WeakPolarHBondContact CA-O 3.47Å; Y153-V252 HydrophobicContact CD2-CB 4.26Å; Y153-V252 HydrophobicContact CD2-CG2 4.44Å; Y153-V252 HydrophobicContact CG-CB 4.42Å; Y153-V252 PolarHBondContact N-O 3.01Å; Y153-V252 PolarHBondContact O-N 3.37Å; M247-V252 HydrophobicContact SD-CG2 4.47Å
253H95.3Very high92.6Very high6 Ų639.8 Ų39.83%0.02825%0.246CC..EExtended strand (participates in β ladder)trans-137.797.3173.1-177.2-71.4000108.2F130 F251 G268F130-H253 AromaticContact CE2-CE1 3.8Å; F130-H253 AromaticContact CZ-CE1 3.78Å; F251-H253 HydrophobicContact CD1-CB 4.3Å; F251-H253 HydrophobicContact CE1-CB 3.58Å; F251-H253 HydrophobicContact CZ-CB 4.16Å; H253-G268 PolarHBondContact O-N 2.91Å
254E97.4Very high92.7Very high40 Ų4039.8 Ų39.819%0.18725%0.246CC..EExtended strand (participates in β ladder)trans-121.4128.8-178.2-172.4171.792.700110.2V150 R151 V265 A266 R267V150-E254 WeakPolarHBondContact CA-O 3.26Å; R151-E254 PolarHBondContact N-O 2.86Å; R151-E254 PolarHBondContact O-N 2.85Å; E254-V265 HydrophobicContact CG-CG1 3.62Å; E254-A266 VanDerWaalsContact CA-O 3.29Å; E254-A266 WeakPolarHBondContact CA-O 3.3Å; E254-R267 HydrophobicContact CG-CG 4.16Å; E254-R267 WeakPolarHBondContact OE2-CD 3.27Å; E254-R267 WeakPolarHBondContact OE2-CG 3.36Å; E254-R267 IonicContact OE2-NE 3.17Å; E254-R267 PolarHBondContact OE2-NE 3.28Å
255V98.5Very high92.8Very high0 Ų037.9 Ų37.90%024%0.236CC..EExtended strand (participates in β ladder)trans-126.5114.3173.9174.20000107.5F130 V150 L185 L189 V265 A266F130-V255 HydrophobicContact CE1-CB 3.67Å; F130-V255 HydrophobicContact CE1-CG1 3.86Å; F130-V255 HydrophobicContact CE1-CG2 3.94Å; F130-V255 HydrophobicContact CZ-CB 3.82Å; F130-V255 HydrophobicContact CZ-CG1 4.39Å; F130-V255 HydrophobicContact CZ-CG2 3.6Å; V150-V255 HydrophobicContact CG1-CG2 3.9Å; V150-V255 HydrophobicContact CG2-CB 4.43Å; V150-V255 HydrophobicContact CG2-CG1 4.15Å; V150-V255 HydrophobicContact CG2-CG2 4.11Å; L185-V255 HydrophobicContact CD2-CG2 4.13Å; L189-V255 HydrophobicContact CD1-CG1 4.29Å; V255-V265 CarbonylContact O-C 3.34Å; V255-V265 WeakPolarHBondContact O-CA 3.49Å; V255-A266 PolarHBondContact N-O 3.01Å; V255-A266 PolarHBondContact O-N 2.84Å
256M98.4Very high92.9Very high40 Ų4037.6 Ų37.620%0.19724%0.235CC..EExtended strand (participates in β ladder)trans-111.9136.1179.6173.1167.165.700110.5C148 D149 V258 L264 V265C148-M256 CarbonylContact C-O 3.22Å; C148-M256 VanDerWaalsContact CA-O 3.28Å; C148-M256 WeakPolarHBondContact CA-O 3.45Å; D149-M256 HydrophobicContact CB-CB 4.47Å; D149-M256 HydrophobicContact CB-CE 3.74Å; D149-M256 PolarHBondContact N-O 3.22Å; D149-M256 PolarHBondContact O-N 3.1Å; M256-V258 HydrophobicContact CG-CG2 3.96Å; M256-V258 HydrophobicContact SD-CG2 4.1Å; M256-L264 WeakPolarHBondContact CA-O 3.3Å; M256-V265 HydrophobicContact CB-CG1 4.36Å; M256-V265 HydrophobicContact CB-CG2 3.93Å; M256-V265 HydrophobicContact CG-CG2 3.72Å; M256-V265 HydrophobicContact SD-CG2 3.96Å
257I98.1Very high93.2Very high0 Ų038.6 Ų38.60%023%0.234CC..EExtended strand (participates in β ladder)trans-124.2125.2172.5-60.6-178.9000108.3M133 L137 I145 L189 R263 L264M133-I257 HydrophobicContact SD-CD1 3.74Å; M133-I257 HydrophobicContact SD-CG1 4.28Å; L137-I257 HydrophobicContact CD1-CD1 3.74Å; L137-I257 HydrophobicContact CD2-CG2 3.99Å; I145-I257 HydrophobicContact CD1-CG2 4.5Å; I145-I257 HydrophobicContact CG1-CG2 4.21Å; I145-I257 HydrophobicContact CG2-CG2 3.72Å; L189-I257 HydrophobicContact CB-CD1 3.85Å; L189-I257 HydrophobicContact CD1-CD1 3.82Å; L189-I257 HydrophobicContact CG-CD1 4.36Å; I257-R263 CarbonylContact O-C 3.59Å; I257-R263 WeakPolarHBondContact O-CA 3.28Å; I257-R263 WeakPolarHBondContact O-CB 3.02Å; I257-L264 PolarHBondContact N-O 2.86Å; I257-L264 PolarHBondContact O-N 2.88Å
258V97.1Very high93.4Very high46 Ų4636.5 Ų36.528%0.27923%0.228SC..EExtended strand (participates in β ladder)trans-115.2131.7177.2-174.40000108.5Q146 V147 M256 R263Q146-V258 PolarHBondContact N-O 3.21Å; V147-V258 HydrophobicContact CB-CB 4.34Å; V147-V258 PolarHBondContact N-O 3.31Å; V147-V258 PolarHBondContact O-N 3.16Å; M256-V258 HydrophobicContact CG-CG2 3.96Å; M256-V258 HydrophobicContact SD-CG2 4.1Å; V258-R263 HydrophobicContact CG2-CB 4.04Å
259G95.3Very high93.9Very high4 Ų431.5 Ų31.54%0.04120%0.196CC..EExtended strand (participates in β ladder)trans-132.2-175.2173.800000112.7V142 D144 A261 G262V142-G259 CarbonylContact O-C 3.59Å; V142-G259 VanDerWaalsContact O-CA 3.23Å; V142-G259 WeakPolarHBondContact O-CA 3.26Å; D144-G259 CarbonylContact O-C 3.56Å; D144-G259 WeakPolarHBondContact O-CA 3.4Å; G259-A261 PolarHBondContact O-N 2.9Å; G259-G262 PolarHBondContact N-O 3.03Å; G259-G262 PolarHBondContact O-N 2.96Å
260S94.7Very high95Very high53 Ų5330.3 Ų30.337%0.37117%0.167SC..THydrogen-bonded Turntrans-64.4-18.9-174.5620000114.9V142 D144 N276V142-S260 PolarHBondContact O-N 3.28Å; D144-S260 PolarHBondContact N-OG 3.48Å; D144-S260 PolarHBondContact O-N 3.19Å; S260-N276 PolarHBondContact O-ND2 3.2Å
261A95.5Very high96Very high35 Ų3528 Ų2829%0.28915%0.15SC..THydrogen-bonded Turntrans-116.3-4.4-177.100000114.8V142 G259 N276V142-A261 PolarHBondContact O-N 3.08Å; G259-A261 PolarHBondContact O-N 2.9Å; A261-N276 VanDerWaalsContact C-CG 3.47Å; A261-N276 WeakPolarHBondContact CA-ND2 3.46Å; A261-N276 PolarHBondContact O-N 3.35Å
262G96.4Very high96.5Very high3 Ų326.2 Ų26.23%0.03114%0.142CC..EExtended strand (participates in β ladder)trans162.4-163.6-179.900000113.7G259 Q274G259-G262 PolarHBondContact N-O 3.03Å; G259-G262 PolarHBondContact O-N 2.96Å; G262-Q274 CarbonylContact C-O 3.43Å; G262-Q274 WeakPolarHBondContact CA-O 3.47Å
263R97.6Very high96.7Very high57 Ų5723.8 Ų23.822%0.21513%0.127CC..EExtended strand (participates in β ladder)trans-137.3151.817766.8-179.5-17690.85.8112.6I257 V258 G273 Q274 E281I257-R263 CarbonylContact O-C 3.59Å; I257-R263 WeakPolarHBondContact O-CA 3.28Å; I257-R263 WeakPolarHBondContact O-CB 3.02Å; V258-R263 HydrophobicContact CG2-CB 4.04Å; R263-G273 WeakPolarHBondContact O-CA 3.45Å; R263-Q274 HydrophobicContact CG-CB 4.03Å; R263-Q274 VanDerWaalsContact CZ-OE1 3.31Å; R263-Q274 PolarHBondContact N-O 3.39Å; R263-Q274 VanDerWaalsContact NE-OE1 3.08Å; R263-Q274 PolarHBondContact O-N 3.34Å; R263-E281 IonicContact CZ-OE1 3.16Å; R263-E281 IonicContact NH1-OE1 2.96Å; R263-E281 PolarHBondContact NH1-OE1 3.07Å; R263-E281 IonicContact NH2-OE1 3.92Å; R263-E281 PolarHBondContact NH2-OE1 2.84Å
264L98.6Very high96.8Very high0 Ų025.7 Ų25.70%014%0.136CC..EExtended strand (participates in β ladder)trans-121.3141.5168-69168.2000108.9M133 L136 L137 Y141 V142 M256 I257 Y272 L284M133-L264 HydrophobicContact CE-CB 4.21Å; M133-L264 HydrophobicContact CG-CB 4.34Å; M133-L264 HydrophobicContact CG-CD1 4.07Å; L136-L264 HydrophobicContact CB-CD1 3.8Å; L136-L264 HydrophobicContact CD1-CD1 4.41Å; L136-L264 HydrophobicContact CD1-CD2 3.91Å; L137-L264 HydrophobicContact CD2-CD1 3.95Å; L137-L264 HydrophobicContact CG-CD1 4.22Å; Y141-L264 HydrophobicContact CD1-CD1 4.28Å; Y141-L264 HydrophobicContact CD1-CD2 3.73Å; Y141-L264 HydrophobicContact CD1-CG 3.89Å; Y141-L264 HydrophobicContact CE1-CD2 3.72Å; Y141-L264 HydrophobicContact CE1-CG 4.21Å; Y141-L264 HydrophobicContact CG-CD2 4.36Å; V142-L264 HydrophobicContact CG1-CB 4.43Å; V142-L264 HydrophobicContact CG1-CD1 3.96Å; V142-L264 HydrophobicContact CG1-CG 3.77Å; M256-L264 WeakPolarHBondContact CA-O 3.3Å; I257-L264 PolarHBondContact N-O 2.86Å; I257-L264 PolarHBondContact O-N 2.88Å; L264-Y272 CarbonylContact C-O 3.51Å; L264-Y272 WeakPolarHBondContact CA-O 3.16Å; L264-L284 HydrophobicContact CD2-CD1 3.61Å
265V98.3Very high96.7Very high1 Ų129.8 Ų29.81%0.00615%0.15CC..EExtended strand (participates in β ladder)trans-136.9120177.8-173.20000109.9E254 V255 M256 R267 Y272E254-V265 HydrophobicContact CG-CG1 3.62Å; V255-V265 CarbonylContact O-C 3.34Å; V255-V265 WeakPolarHBondContact O-CA 3.49Å; M256-V265 HydrophobicContact CB-CG1 4.36Å; M256-V265 HydrophobicContact CB-CG2 3.93Å; M256-V265 HydrophobicContact CG-CG2 3.72Å; M256-V265 HydrophobicContact SD-CG2 3.96Å; V265-R267 HydrophobicContact CG1-CG 3.88Å; V265-Y272 PolarHBondContact N-O 3.44Å; V265-Y272 PolarHBondContact O-N 2.99Å
266A97.9Very high96.3Very high0 Ų035.1 Ų35.10%018%0.178CC..EExtended strand (participates in β ladder)trans-91.9122.9167.100000109.4A129 F130 M133 E254 V255 E270 L271A129-A266 HydrophobicContact CB-CB 4.45Å; F130-A266 HydrophobicContact CD1-CB 4.24Å; F130-A266 HydrophobicContact CE1-CB 3.5Å; F130-A266 HydrophobicContact CZ-CB 3.83Å; M133-A266 HydrophobicContact CE-CB 3.6Å; E254-A266 VanDerWaalsContact CA-O 3.29Å; E254-A266 WeakPolarHBondContact CA-O 3.3Å; V255-A266 PolarHBondContact N-O 3.01Å; V255-A266 PolarHBondContact O-N 2.84Å; A266-E270 CarbonylContact C-O 3.59Å; A266-E270 VanDerWaalsContact CA-O 3.25Å; A266-E270 WeakPolarHBondContact CA-O 3.49Å; A266-L271 HydrophobicContact CB-CD1 4.36Å
267R95.9Very high95.7Very high83 Ų8337.3 Ų37.331%0.31321%0.211SC..EExtended strand (participates in β ladder)trans-116.6104.6174.3-60.9-170.5-173.7111.55.5109E254 V265 T269 E270 Y272 E281E254-R267 HydrophobicContact CG-CG 4.16Å; E254-R267 WeakPolarHBondContact OE2-CD 3.27Å; E254-R267 WeakPolarHBondContact OE2-CG 3.36Å; E254-R267 IonicContact OE2-NE 3.17Å; E254-R267 PolarHBondContact OE2-NE 3.28Å; V265-R267 HydrophobicContact CG1-CG 3.88Å; R267-T269 PolarHBondContact O-N 2.81Å; R267-E270 PolarHBondContact N-O 3.11Å; R267-E270 PolarHBondContact O-N 2.98Å; R267-E270 VanDerWaalsContact O-N 3.11Å; R267-Y272 HydrophobicContact CB-CE2 4.16Å; R267-Y272 HydrophobicContact CG-CD2 4.27Å; R267-Y272 HydrophobicContact CG-CE2 4.22Å; R267-E281 IonicContact CZ-OE1 3.78Å; R267-E281 IonicContact CZ-OE2 2.71Å; R267-E281 IonicContact NH1-OE1 3.41Å; R267-E281 IonicContact NH1-OE2 2.91Å; R267-E281 PolarHBondContact NH1-OE2 3.49Å; R267-E281 IonicContact NH2-OE1 2.94Å; R267-E281 PolarHBondContact NH2-OE1 2.91Å; R267-E281 IonicContact NH2-OE2 2.7Å; R267-E281 PolarHBondContact NH2-OE2 2.89Å
268G92.9Very high95.3Very high20 Ų2040 Ų4021%0.20623%0.23CC..THydrogen-bonded Turntrans62.1-104.6-171.900000111H253H253-G268 PolarHBondContact O-N 2.91Å
269T93.7Very high94.9Very high9 Ų947.4 Ų47.46%0.05526%0.258CS..THydrogen-bonded Turntrans-110.8-1.6-177.555.80000113L127 R267 L285 D287 R300 P301 Q304L127-T269 HydrophobicContact CD1-CG2 4.28Å; R267-T269 PolarHBondContact O-N 2.81Å; T269-L285 WeakPolarHBondContact O-CD2 3.37Å; T269-D287 PolarHBondContact OG1-OD1 3.26Å; T269-D287 PolarHBondContact OG1-OD2 2.83Å; T269-R300 HydrophobicContact CG2-CB 4.29Å; T269-P301 HydrophobicContact CG2-CG 4.31Å; T269-Q304 VanDerWaalsContact CB-OE1 3.29Å; T269-Q304 VanDerWaalsContact CG2-CD 3.49Å; T269-Q304 HydrophobicContact CG2-CG 4.36Å
270E95.9Very high94.6Very high62 Ų6251.8 Ų51.829%0.2929%0.287SS..EExtended strand (participates in β ladder)trans-99.2147.9-179.4-61.9177.8136.400110.8A266 R267 Y272 L283 L285 D287A266-E270 CarbonylContact C-O 3.59Å; A266-E270 VanDerWaalsContact CA-O 3.25Å; A266-E270 WeakPolarHBondContact CA-O 3.49Å; R267-E270 PolarHBondContact N-O 3.11Å; R267-E270 PolarHBondContact O-N 2.98Å; R267-E270 VanDerWaalsContact O-N 3.11Å; E270-Y272 HydrophobicContact CB-CE2 3.75Å; E270-Y272 PolarHBondContact OE2-OH 3.07Å; E270-L283 HydrophobicContact CB-CD1 4.2Å; E270-L285 WeakPolarHBondContact CA-O 3.4Å; E270-D287 HydrophobicContact CG-CB 4.03Å
271L98Very high94.6Very high0 Ų052 Ų520%028%0.283CS..EExtended strand (participates in β ladder)trans-118.4130.9175.3-176.664000110.6A129 A132 M133 L136 A266 L284 L285A129-L271 HydrophobicContact CB-CB 4.4Å; A132-L271 HydrophobicContact CB-CD2 3.77Å; M133-L271 HydrophobicContact CB-CD1 4.02Å; M133-L271 HydrophobicContact CB-CD2 4.26Å; M133-L271 HydrophobicContact CE-CD1 3.46Å; M133-L271 VanDerWaalsContact CE-CD1 3.46Å; M133-L271 HydrophobicContact CG-CD1 4.37Å; L136-L271 HydrophobicContact CD1-CD2 3.87Å; A266-L271 HydrophobicContact CB-CD1 4.36Å; L271-L284 HydrophobicContact CD2-CB 4.46Å; L271-L284 HydrophobicContact CG-CB 4.36Å; L271-L284 PolarHBondContact O-N 3.27Å; L271-L285 HydrophobicContact CB-CB 3.79Å; L271-L285 PolarHBondContact N-O 3.43Å; L271-L285 PolarHBondContact O-N 3.45Å; L271-L285 VanDerWaalsContact O-N 3.08Å
272Y98.2Very high94.6Very high40 Ų4056 Ų5616%0.15730%0.295CS..EExtended strand (participates in β ladder)trans-119.1151.6176.6-61.2-90.7000111.1L264 V265 R267 E270 E281 E282 L283L264-Y272 CarbonylContact C-O 3.51Å; L264-Y272 WeakPolarHBondContact CA-O 3.16Å; V265-Y272 PolarHBondContact N-O 3.44Å; V265-Y272 PolarHBondContact O-N 2.99Å; R267-Y272 HydrophobicContact CB-CE2 4.16Å; R267-Y272 HydrophobicContact CG-CD2 4.27Å; R267-Y272 HydrophobicContact CG-CE2 4.22Å; E270-Y272 HydrophobicContact CB-CE2 3.75Å; E270-Y272 PolarHBondContact OE2-OH 3.07Å; Y272-E281 HydrophobicContact CD1-CG 4.04Å; Y272-E281 HydrophobicContact CG-CG 4.2Å; Y272-E282 CarbonylContact C-O 3.49Å; Y272-E282 WeakPolarHBondContact CA-O 3.18Å; Y272-L283 HydrophobicContact CD1-CB 4.18Å; Y272-L283 HydrophobicContact CD1-CD1 3.98Å; Y272-L283 HydrophobicContact CE1-CB 4.03Å; Y272-L283 HydrophobicContact CE1-CD1 3.52Å; Y272-L283 HydrophobicContact CE1-CG 4.35Å; Y272-L283 HydrophobicContact CE2-CD1 4.27Å
273G97.5Very high94.6Very high0 Ų059.7 Ų59.70%031%0.314CS..EExtended strand (participates in β ladder)trans-138.9153.7174.900000113R263 E282R263-G273 WeakPolarHBondContact O-CA 3.45Å; G273-E282 PolarHBondContact N-O 2.83Å; G273-E282 PolarHBondContact O-N 3.49Å
274Q97.3Very high94.6Very high47 Ų4759.8 Ų59.822%0.2232%0.318CS..EExtended strand (participates in β ladder)trans-150.1117.1172.2-173.9178.22.700109.9Y141 G262 R263 S278Y141-Q274 PolarHBondContact OH-N 2.96Å; G262-Q274 CarbonylContact C-O 3.43Å; G262-Q274 WeakPolarHBondContact CA-O 3.47Å; R263-Q274 HydrophobicContact CG-CB 4.03Å; R263-Q274 VanDerWaalsContact CZ-OE1 3.31Å; R263-Q274 PolarHBondContact N-O 3.39Å; R263-Q274 VanDerWaalsContact NE-OE1 3.08Å; R263-Q274 PolarHBondContact O-N 3.34Å; Q274-S278 PolarHBondContact NE2-O 3.29Å
275R95.1Very high94.4Very high125 Ų12562 Ų6247%0.47233%0.33SS..EExtended strand (participates in β ladder)trans-79.4155.9172.2-66.2-176.4179.7-97.45111.4Y141 G277 S278Y141-R275 HydrophobicContact CE1-CG 4.1Å; Y141-R275 HydrophobicContact CE2-CG 4.23Å; R275-G277 PolarHBondContact O-N 2.86Å; R275-S278 VanDerWaalsContact O-CB 3.31Å; R275-S278 WeakPolarHBondContact O-CB 3.2Å; R275-S278 PolarHBondContact O-N 2.96Å
276N90.7Very high94.1Very high112 Ų11264.7 Ų64.760%0.59935%0.352SS*.THydrogen-bonded Turntrans-59.1130173.1-72.7-10.1000110.5S260 A261 S278S260-N276 PolarHBondContact O-ND2 3.2Å; A261-N276 VanDerWaalsContact C-CG 3.47Å; A261-N276 WeakPolarHBondContact CA-ND2 3.46Å; A261-N276 PolarHBondContact O-N 3.35Å; N276-S278 VanDerWaalsContact C-N 3.34Å
277G85.2Confident93.3Very high86 Ų8667.1 Ų67.189%0.88737%0.365SS*.THydrogen-bonded Turntrans89.2-12.9-175.400000115R275R275-G277 PolarHBondContact O-N 2.86Å
278S89.8Confident91.8Very high57 Ų5767 Ų6740%0.39939%0.39SS..  trans-73.6131.6171-66.30000110.9Q274 R275 N276Q274-S278 PolarHBondContact NE2-O 3.29Å; R275-S278 VanDerWaalsContact O-CB 3.31Å; R275-S278 WeakPolarHBondContact O-CB 3.2Å; R275-S278 PolarHBondContact O-N 2.96Å; N276-S278 VanDerWaalsContact C-N 3.34Å
279K88.3Confident90.3Very high201 Ų20167.5 Ų67.587%0.87439%0.394SS*.SBendtrans-74.5-24.5-178.9-67.7-174.2178.7-179.40113.8
280C89.9Confident88.4Confident96 Ų9671.2 Ų71.265%0.64944%0.435SS*.SBendtrans-131.6151.7-173.9-63.60000110.8
281E94.7Very high86.2Confident59 Ų5971.2 Ų71.228%0.27644%0.439SS..  trans-72.6138.3165.2-175.9177.7-95.900109.4R263 R267 Y272R263-E281 IonicContact CZ-OE1 3.16Å; R263-E281 IonicContact NH1-OE1 2.96Å; R263-E281 PolarHBondContact NH1-OE1 3.07Å; R263-E281 IonicContact NH2-OE1 3.92Å; R263-E281 PolarHBondContact NH2-OE1 2.84Å; R267-E281 IonicContact CZ-OE1 3.78Å; R267-E281 IonicContact CZ-OE2 2.71Å; R267-E281 IonicContact NH1-OE1 3.41Å; R267-E281 IonicContact NH1-OE2 2.91Å; R267-E281 PolarHBondContact NH1-OE2 3.49Å; R267-E281 IonicContact NH2-OE1 2.94Å; R267-E281 PolarHBondContact NH2-OE1 2.91Å; R267-E281 IonicContact NH2-OE2 2.7Å; R267-E281 PolarHBondContact NH2-OE2 2.89Å; Y272-E281 HydrophobicContact CD1-CG 4.04Å; Y272-E281 HydrophobicContact CG-CG 4.2Å
282E95.6Very high83.7Confident118 Ų11873.4 Ų73.455%0.55146%0.461SS*.EExtended strand (participates in β ladder)trans-109.1139.7179.8-178.4178.8-17200110.1Y272 G273 L284Y272-E282 CarbonylContact C-O 3.49Å; Y272-E282 WeakPolarHBondContact CA-O 3.18Å; G273-E282 PolarHBondContact N-O 2.83Å; G273-E282 PolarHBondContact O-N 3.49Å; E282-L284 HydrophobicContact CB-CD2 4.43Å; E282-L284 HydrophobicContact CG-CD2 4Å; E282-L284 PolarHBondContact O-N 3.46Å
283L96.8Very high81Confident80 Ų8077.1 Ų77.142%0.41949%0.49SS..EExtended strand (participates in β ladder)trans-81.6110.5170.8178.867.3000109E270 Y272 L285 A286E270-L283 HydrophobicContact CB-CD1 4.2Å; Y272-L283 HydrophobicContact CD1-CB 4.18Å; Y272-L283 HydrophobicContact CD1-CD1 3.98Å; Y272-L283 HydrophobicContact CE1-CB 4.03Å; Y272-L283 HydrophobicContact CE1-CD1 3.52Å; Y272-L283 HydrophobicContact CE1-CG 4.35Å; Y272-L283 HydrophobicContact CE2-CD1 4.27Å; L283-L285 WeakPolarHBondContact CD1-O 3.41Å; L283-A286 HydrophobicContact CD2-CB 3.96Å
284L96Very high78.5Confident60 Ų6086 Ų8631%0.31453%0.532SS..EExtended strand (participates in β ladder)trans-92.1-31.5-177.9-59.9-179000112.5L136 Y141 L264 L271 E282L136-L284 HydrophobicContact CD1-CD1 3.62Å; Y141-L284 HydrophobicContact CE2-CD1 4.3Å; L264-L284 HydrophobicContact CD2-CD1 3.61Å; L271-L284 HydrophobicContact CD2-CB 4.46Å; L271-L284 HydrophobicContact CG-CB 4.36Å; L271-L284 PolarHBondContact O-N 3.27Å; E282-L284 HydrophobicContact CB-CD2 4.43Å; E282-L284 HydrophobicContact CG-CD2 4Å; E282-L284 PolarHBondContact O-N 3.46Å
285L94.9Very high76.3Confident46 Ų4684.9 Ų84.924%0.24153%0.531CS..EExtended strand (participates in β ladder)trans-141.9119.1174.7-173146.2000109.2P128 A132 T269 E270 L271 L283P128-L285 HydrophobicContact CB-CD1 4.31Å; A132-L285 HydrophobicContact CB-CD1 3.92Å; T269-L285 WeakPolarHBondContact O-CD2 3.37Å; E270-L285 WeakPolarHBondContact CA-O 3.4Å; L271-L285 HydrophobicContact CB-CB 3.79Å; L271-L285 PolarHBondContact N-O 3.43Å; L271-L285 PolarHBondContact O-N 3.45Å; L271-L285 VanDerWaalsContact O-N 3.08Å; L283-L285 WeakPolarHBondContact CD1-O 3.41Å
286A91.3Very high74.3Confident57 Ų5788.3 Ų88.347%0.47155%0.549SS..  trans-84.5157.6175.100000111.7L283 G288L283-A286 HydrophobicContact CD2-CB 3.96Å; A286-G288 PolarHBondContact O-N 2.92Å
287D81.7Confident73.1Confident52 Ų5291.1 Ų91.128%0.27856%0.559SS.*  trans-62.7106.3175.4-169.916.2000110.5T269 E270 R300 Q304T269-D287 PolarHBondContact OG1-OD1 3.26Å; T269-D287 PolarHBondContact OG1-OD2 2.83Å; E270-D287 HydrophobicContact CG-CB 4.03Å; D287-R300 IonicContact OD2-NH1 2.74Å; D287-Q304 PolarHBondContact OD1-NE2 2.89Å
288G65.5Low72.7Confident81 Ų8188.7 Ų88.784%0.83553%0.527SS*.  trans-89.93-175.300000115A286A286-G288 PolarHBondContact O-N 2.92Å
289G61Low72.4Confident29 Ų2987.8 Ų87.830%0.29952%0.519SS..  trans-117.4117.4-166.400000115.5
290G52.5Low72.4Confident88 Ų8885.1 Ų85.191%0.90750%0.504SS*.  trans-78.1115.3159.200000110.1
291V50Low72.4Confident61 Ų6180.8 Ų80.837%0.3748%0.475SS..  trans-94.7131.1175.1-168.70000109A295 L303V291-A295 HydrophobicContact CG1-CB 3.48Å; V291-A295 VanDerWaalsContact CG1-CB 3.48Å; V291-L303 HydrophobicContact CG1-CD1 4.03Å
292G46.3Very low72.1Confident46 Ų4680.2 Ų80.247%0.47447%0.472SS..  trans-61.5162.217400000113.1E294G292-E294 PolarHBondContact O-N 2.95Å
293P42Very low71.9Confident118 Ų11875.4 Ų75.477%0.76645%0.45SS*.THydrogen-bonded Turntrans-66.7-8.7-169.924.4-33.1000116.1A295P293-A295 VanDerWaalsContact C-N 3.34Å; P293-A295 PolarHBondContact O-N 2.92Å
294E43.8Very low71.6Confident187 Ų18772.8 Ų72.887%0.87444%0.436SS*.THydrogen-bonded Turntrans-85-3.8-172.5-63.8-177.5169.900114.3G292 K296G292-E294 PolarHBondContact O-N 2.95Å; E294-K296 PolarHBondContact O-N 2.92Å
295A50.7Low71.5Confident24 Ų2470 Ų7020%0.19842%0.421CS..  trans-91.520.7-171.700000115.9V291 P293 E297 T298 L303V291-A295 HydrophobicContact CG1-CB 3.48Å; V291-A295 VanDerWaalsContact CG1-CB 3.48Å; P293-A295 VanDerWaalsContact C-N 3.34Å; P293-A295 PolarHBondContact O-N 2.92Å; A295-E297 PolarHBondContact O-N 3.05Å; A295-T298 PolarHBondContact O-N 3.45Å; A295-L303 HydrophobicContact CB-CD1 3.38Å
296K53.7Low71.4Confident196 Ų19668.1 Ų68.185%0.85241%0.411SS*.THydrogen-bonded Turntrans-61.2-24.1-166.8-79.6-175.8179177.30115.4E294E294-K296 PolarHBondContact O-N 2.92Å
297E65.8Low71.5Confident172 Ų17266.8 Ų66.880%0.80440%0.398SS*.THydrogen-bonded Turntrans-101.5-22.8-174.4-64.5-176.3167.200114.2A295A295-E297 PolarHBondContact O-N 3.05Å
298T76Confident72.1Confident34 Ų3465.9 Ų65.921%0.20940%0.396CS..SBendtrans-96.2129.4-177.2-54.20000110.4A295 R300 H302 L303A295-T298 PolarHBondContact O-N 3.45Å; T298-R300 PolarHBondContact O-N 3.26Å; T298-H302 HydrophobicContact CG2-CB 4.01Å; T298-L303 HydrophobicContact CG2-CD2 3.64Å; T298-L303 HydrophobicContact CG2-CG 3.74Å; T298-L303 WeakPolarHBondContact O-CD1 3.31Å
299P84.6Confident73.6Confident38 Ų3862.1 Ų62.125%0.24736%0.356CS..  trans-61.1139.9178.8-21.130.7000112.5F251 P301 H302 L303F251-P299 HydrophobicContact CD1-CB 3.78Å; F251-P299 HydrophobicContact CD1-CG 4.37Å; F251-P299 HydrophobicContact CD2-CB 4.39Å; F251-P299 HydrophobicContact CD2-CG 4.09Å; F251-P299 HydrophobicContact CE1-CB 3.4Å; F251-P299 VanDerWaalsContact CE1-CB 3.4Å; F251-P299 HydrophobicContact CE1-CG 4.01Å; F251-P299 HydrophobicContact CE2-CB 4.08Å; F251-P299 HydrophobicContact CE2-CG 3.71Å; F251-P299 HydrophobicContact CG-CB 4.24Å; F251-P299 HydrophobicContact CG-CG 4.4Å; F251-P299 HydrophobicContact CZ-CB 3.58Å; F251-P299 HydrophobicContact CZ-CG 3.66Å; P299-P301 VanDerWaalsContact C-CD 3.44Å; P299-H302 WeakPolarHBondContact O-CB 3.26Å; P299-H302 PolarHBondContact O-N 3.37Å; P299-L303 PolarHBondContact O-N 3.3Å
300R86.9Confident75.2Confident145 Ų14560.7 Ų60.755%0.54734%0.342SS..Hα-helixtrans-51.1-42.9-176.8-69.2-173.9177.4-171.71.2114.9T269 D287 T298 H302 L303 Q304T269-R300 HydrophobicContact CG2-CB 4.29Å; D287-R300 IonicContact OD2-NH1 2.74Å; T298-R300 PolarHBondContact O-N 3.26Å; R300-H302 VanDerWaalsContact C-N 3.27Å; R300-H302 PolarHBondContact O-N 3.05Å; R300-L303 PolarHBondContact O-N 2.85Å; R300-L303 VanDerWaalsContact O-N 3.15Å; R300-Q304 PolarHBondContact O-N 3.47Å
301P90.1Very high77.2Confident5 Ų561 Ų613%0.03232%0.318CS..Hα-helixtrans-57.6-40.4177.8-26.136.4000112.5L127 T269 P299 L303 G305L127-P301 HydrophobicContact CD1-CB 4.46Å; L127-P301 HydrophobicContact CD2-CB 4.04Å; T269-P301 HydrophobicContact CG2-CG 4.31Å; P299-P301 VanDerWaalsContact C-CD 3.44Å; P301-L303 PolarHBondContact O-N 3.18Å; P301-G305 PolarHBondContact O-N 3.05Å
302H89.4Confident79.3Confident47 Ų4758.4 Ų58.422%0.21830%0.304CS..Hα-helixtrans-67.2-38.5178.1-68.9-65.6000112.1T123 T298 P299 R300 L306T123-H302 PolarHBondContact OG1-O 3.41Å; T298-H302 HydrophobicContact CG2-CB 4.01Å; P299-H302 WeakPolarHBondContact O-CB 3.26Å; P299-H302 PolarHBondContact O-N 3.37Å; R300-H302 VanDerWaalsContact C-N 3.27Å; R300-H302 PolarHBondContact O-N 3.05Å; H302-L306 WeakPolarHBondContact O-CB 3.4Å; H302-L306 PolarHBondContact O-N 3.26Å
303L90.1Very high81.5Confident17 Ų1756.3 Ų56.39%0.08928%0.281CS..Hα-helixtrans-66.4-48.1178.5-66.4172.4000112.7V18 V291 A295 T298 P299 R300 P301 G305 L306 S307V18-L303 HydrophobicContact CB-CD2 4.39Å; V18-L303 HydrophobicContact CG1-CD2 3.55Å; V18-L303 HydrophobicContact CG2-CD2 4.07Å; V291-L303 HydrophobicContact CG1-CD1 4.03Å; A295-L303 HydrophobicContact CB-CD1 3.38Å; T298-L303 HydrophobicContact CG2-CD2 3.64Å; T298-L303 HydrophobicContact CG2-CG 3.74Å; T298-L303 WeakPolarHBondContact O-CD1 3.31Å; P299-L303 PolarHBondContact O-N 3.3Å; R300-L303 PolarHBondContact O-N 2.85Å; R300-L303 VanDerWaalsContact O-N 3.15Å; P301-L303 PolarHBondContact O-N 3.18Å; L303-G305 VanDerWaalsContact C-N 3.35Å; L303-L306 PolarHBondContact O-N 2.96Å; L303-S307 PolarHBondContact O-N 3.06Å
304Q91.3Very high84Confident26 Ų2654.5 Ų54.512%0.12126%0.26CS..Hα-helixtrans-65.7-40.1177.9-72.8-172-2.400111.5L127 T269 D287 R300 S308L127-Q304 HydrophobicContact CD1-CB 3.79Å; T269-Q304 VanDerWaalsContact CB-OE1 3.29Å; T269-Q304 VanDerWaalsContact CG2-CD 3.49Å; T269-Q304 HydrophobicContact CG2-CG 4.36Å; D287-Q304 PolarHBondContact OD1-NE2 2.89Å; R300-Q304 PolarHBondContact O-N 3.47Å; Q304-S308 WeakPolarHBondContact O-CB 3.25Å; Q304-S308 PolarHBondContact O-N 2.97Å; Q304-S308 PolarHBondContact O-OG 3.01Å
305G93.2Very high86.3Confident0 Ų050.9 Ų50.90%024%0.242CC..Hα-helixtrans-60.8-44172.300000112.1T123 P301 L303 S308 M309T123-G305 WeakPolarHBondContact O-CA 3.4Å; P301-G305 PolarHBondContact O-N 3.05Å; L303-G305 VanDerWaalsContact C-N 3.35Å; G305-S308 PolarHBondContact O-N 2.81Å; G305-M309 WeakPolarHBondContact O-CB 3.32Å; G305-M309 PolarHBondContact O-N 2.89Å
306L93.4Very high88.2Confident8 Ų849.7 Ų49.74%0.04223%0.233CC..Hα-helixtrans-63.5-46.1179.2-170.964.9000111.6V18 L19 L22 T123 H302 L303 S308 M309 V310V18-L306 HydrophobicContact CB-CD2 4.31Å; V18-L306 HydrophobicContact CG1-CD2 3.87Å; L19-L306 HydrophobicContact CB-CD2 4.33Å; L19-L306 HydrophobicContact CD1-CD1 4.07Å; L19-L306 HydrophobicContact CD1-CG 4.47Å; L22-L306 HydrophobicContact CD1-CB 4.27Å; L22-L306 HydrophobicContact CD1-CD2 3.86Å; L22-L306 HydrophobicContact CD1-CG 3.85Å; T123-L306 HydrophobicContact CG2-CB 3.91Å; T123-L306 HydrophobicContact CG2-CD1 3.68Å; T123-L306 HydrophobicContact CG2-CG 4.43Å; H302-L306 WeakPolarHBondContact O-CB 3.4Å; H302-L306 PolarHBondContact O-N 3.26Å; L303-L306 PolarHBondContact O-N 2.96Å; L306-S308 VanDerWaalsContact C-N 3.31Å; L306-S308 PolarHBondContact O-N 3.48Å; L306-M309 HydrophobicContact CD1-CE 3.67Å; L306-M309 PolarHBondContact O-N 3.46Å; L306-V310 WeakPolarHBondContact O-CG2 3.46Å; L306-V310 PolarHBondContact O-N 3.06Å
307S94.1Very high89.8Confident28 Ų2840.6 Ų40.620%0.19619%0.193CC..Hα-helixtrans-59.1-43175.2179.80000111.9L303 V310 K311L303-S307 PolarHBondContact O-N 3.06Å; S307-V310 PolarHBondContact O-N 3.24Å; S307-K311 WeakPolarHBondContact O-CG 3.27Å; S307-K311 PolarHBondContact O-N 3.35Å; S307-K311 VanDerWaalsContact O-N 3.12Å
308S94.4Very high90.7Very high33 Ų3336.9 Ų36.923%0.23118%0.176CC..Hα-helixtrans-68-37.7178.7-56.60000112F126 Q304 G305 L306 K311 A312F126-S308 WeakPolarHBondContact O-CB 3.13Å; Q304-S308 WeakPolarHBondContact O-CB 3.25Å; Q304-S308 PolarHBondContact O-N 2.97Å; Q304-S308 PolarHBondContact O-OG 3.01Å; G305-S308 PolarHBondContact O-N 2.81Å; L306-S308 VanDerWaalsContact C-N 3.31Å; L306-S308 PolarHBondContact O-N 3.48Å; S308-K311 PolarHBondContact O-N 3.34Å; S308-A312 PolarHBondContact O-N 2.89Å
309M95.4Very high90.3Very high2 Ų238.1 Ų38.11%0.0119%0.19CC..Hα-helixtrans-63.3-44.6174.3-175.2-171.18200111.8V93 M119 T123 F126 G305 L306 K311 A312 L313V93-M309 HydrophobicContact CG1-CE 4.34Å; M119-M309 HydrophobicContact CE-CG 4.07Å; M119-M309 HydrophobicContact CE-SD 3.94Å; T123-M309 HydrophobicContact CG2-SD 4.18Å; F126-M309 HydrophobicContact CB-CB 4.2Å; F126-M309 HydrophobicContact CD1-CB 4.26Å; F126-M309 HydrophobicContact CD2-CB 3.73Å; F126-M309 HydrophobicContact CD2-CG 3.79Å; F126-M309 HydrophobicContact CD2-SD 4.49Å; F126-M309 HydrophobicContact CE1-CG 4.47Å; F126-M309 HydrophobicContact CE2-CB 4.11Å; F126-M309 HydrophobicContact CE2-CG 3.64Å; F126-M309 HydrophobicContact CE2-SD 4.33Å; F126-M309 HydrophobicContact CG-CB 3.8Å; F126-M309 HydrophobicContact CG-CG 4.26Å; F126-M309 HydrophobicContact CZ-CG 3.99Å; G305-M309 WeakPolarHBondContact O-CB 3.32Å; G305-M309 PolarHBondContact O-N 2.89Å; L306-M309 HydrophobicContact CD1-CE 3.67Å; L306-M309 PolarHBondContact O-N 3.46Å; M309-K311 VanDerWaalsContact C-N 3.31Å; M309-K311 PolarHBondContact O-N 2.99Å; M309-A312 WeakPolarHBondContact O-CB 3.26Å; M309-A312 PolarHBondContact O-N 2.83Å; M309-L313 HydrophobicContact CE-CD1 4.29Å; M309-L313 HydrophobicContact CG-CD1 4.46Å; M309-L313 WeakPolarHBondContact O-CG 3.1Å; M309-L313 PolarHBondContact O-N 2.86Å
310V95.4Very high89.4Confident0 Ų039.3 Ų39.30%019%0.192CC..Hα-helixtrans-63.5-38.5177.7177.20000111.2L19 L22 L23 E26 F28 L306 S307 L313 R314L19-V310 HydrophobicContact CD1-CG2 3.8Å; L22-V310 HydrophobicContact CB-CG2 4.26Å; L23-V310 HydrophobicContact CD2-CG1 3.94Å; L23-V310 HydrophobicContact CD2-CG2 4.38Å; L23-V310 HydrophobicContact CG-CG1 4.41Å; E26-V310 HydrophobicContact CB-CG1 3.84Å; E26-V310 HydrophobicContact CG-CG1 3.76Å; F28-V310 HydrophobicContact CD2-CG1 4.41Å; F28-V310 HydrophobicContact CE2-CG1 4.23Å; L306-V310 WeakPolarHBondContact O-CG2 3.46Å; L306-V310 PolarHBondContact O-N 3.06Å; S307-V310 PolarHBondContact O-N 3.24Å; V310-L313 WeakPolarHBondContact O-CB 3.44Å; V310-L313 PolarHBondContact O-N 2.87Å; V310-R314 PolarHBondContact O-N 2.85Å
311K94.5Very high88.1Confident93 Ų9341.2 Ų41.240%0.40421%0.207SC..Hα-helixtrans-62.4-42.5172.9-72.5171.1-176.41750112.3E26 S307 S308 M309 R314 Q315E26-K311 HydrophobicContact CG-CG 4.25Å; E26-K311 WeakPolarHBondContact OE1-CE 3.31Å; E26-K311 WeakPolarHBondContact OE1-CG 3.45Å; S307-K311 WeakPolarHBondContact O-CG 3.27Å; S307-K311 PolarHBondContact O-N 3.35Å; S307-K311 VanDerWaalsContact O-N 3.12Å; S308-K311 PolarHBondContact O-N 3.34Å; M309-K311 VanDerWaalsContact C-N 3.31Å; M309-K311 PolarHBondContact O-N 2.99Å; K311-R314 WeakPolarHBondContact O-CB 3.35Å; K311-R314 PolarHBondContact O-N 2.98Å; K311-Q315 WeakPolarHBondContact O-CG 3.23Å; K311-Q315 PolarHBondContact O-N 3Å
312A93.7Very high86.8Confident8 Ų847.1 Ų47.17%0.06623%0.234CC..Hα-helixtrans-63.6-42.1175.400000111.9F126 S308 M309 Q315 S316 P330 V331F126-A312 HydrophobicContact CD1-CB 4.03Å; F126-A312 HydrophobicContact CE1-CB 3.63Å; S308-A312 PolarHBondContact O-N 2.89Å; M309-A312 WeakPolarHBondContact O-CB 3.26Å; M309-A312 PolarHBondContact O-N 2.83Å; A312-Q315 PolarHBondContact O-N 3.21Å; A312-S316 WeakPolarHBondContact O-CB 3.41Å; A312-S316 PolarHBondContact O-N 3.25Å; A312-P330 WeakPolarHBondContact CB-O 3.44Å; A312-P330 WeakPolarHBondContact O-CB 3.19Å; A312-V331 HydrophobicContact CB-CG1 4.08Å
313L93.8Very high85.4Confident1 Ų148.6 Ų48.61%0.00524%0.241CC..Hα-helixtrans-59.5-47.6173.5-76.3169.9000111.3F28 V93 L117 M119 M309 V310 Q315 S316 F317 V331F28-L313 HydrophobicContact CZ-CB 4.16Å; V93-L313 HydrophobicContact CG2-CD1 4.13Å; V93-L313 HydrophobicContact CG2-CD2 4.13Å; L117-L313 HydrophobicContact CD2-CD2 3.7Å; M119-L313 HydrophobicContact SD-CD2 3.81Å; M309-L313 HydrophobicContact CE-CD1 4.29Å; M309-L313 HydrophobicContact CG-CD1 4.46Å; M309-L313 WeakPolarHBondContact O-CG 3.1Å; M309-L313 PolarHBondContact O-N 2.86Å; V310-L313 WeakPolarHBondContact O-CB 3.44Å; V310-L313 PolarHBondContact O-N 2.87Å; L313-Q315 VanDerWaalsContact C-N 3.35Å; L313-Q315 PolarHBondContact O-N 2.83Å; L313-S316 WeakPolarHBondContact O-CB 3.44Å; L313-S316 PolarHBondContact O-N 3.05Å; L313-S316 VanDerWaalsContact O-N 3.15Å; L313-F317 HydrophobicContact CD2-CE2 4.41Å; L313-F317 VanDerWaalsContact O-CD2 3.23Å; L313-F317 WeakPolarHBondContact O-CD2 3.25Å; L313-F317 PolarHBondContact O-N 2.76Å; L313-F317 VanDerWaalsContact O-N 3.15Å; L313-V331 HydrophobicContact CD2-CG1 4.32Å
314R93.2Very high84.1Confident81 Ų8154.7 Ų54.731%0.30626%0.263SS..Hα-helixtrans-54.9-51.1175.7176.7-170.6176.1163.87.2111.2L4 E26 F28 V310 K311 S316 F317 Q318L4-R314 HydrophobicContact CD1-CG 4.27Å; L4-R314 HydrophobicContact CD2-CG 4.36Å; E26-R314 VanDerWaalsContact O-CD 3.25Å; E26-R314 WeakPolarHBondContact O-CD 3.26Å; E26-R314 PolarHBondContact O-NE 2.89Å; E26-R314 VanDerWaalsContact OE2-CD 3.23Å; E26-R314 WeakPolarHBondContact OE2-CD 3.41Å; E26-R314 IonicContact OE2-CZ 3.22Å; E26-R314 IonicContact OE2-NE 2.76Å; E26-R314 IonicContact OE2-NH1 3.73Å; E26-R314 PolarHBondContact OE2-NH1 3.03Å; F28-R314 HydrophobicContact CE2-CB 3.84Å; F28-R314 HydrophobicContact CZ-CB 4.18Å; V310-R314 PolarHBondContact O-N 2.85Å; K311-R314 WeakPolarHBondContact O-CB 3.35Å; K311-R314 PolarHBondContact O-N 2.98Å; R314-S316 PolarHBondContact O-N 2.97Å; R314-F317 PolarHBondContact O-N 2.74Å; R314-Q318 HydrophobicContact CG-CG 4.13Å; R314-Q318 WeakPolarHBondContact O-CB 3.36Å; R314-Q318 VanDerWaalsContact O-CG 3.28Å; R314-Q318 WeakPolarHBondContact O-CG 3.35Å; R314-Q318 PolarHBondContact O-N 2.96Å
315Q91.8Very high83.3Confident110 Ų11057.4 Ų57.451%0.51428%0.278SS..Hα-helixtrans-59.8-38.1179.4-71.9172.3-1.600111.9K311 A312 L313 P330K311-Q315 WeakPolarHBondContact O-CG 3.23Å; K311-Q315 PolarHBondContact O-N 3Å; A312-Q315 PolarHBondContact O-N 3.21Å; L313-Q315 VanDerWaalsContact C-N 3.35Å; L313-Q315 PolarHBondContact O-N 2.83Å; Q315-P330 HydrophobicContact CB-CB 3.75Å; Q315-P330 HydrophobicContact CB-CG 3.83Å
316S90.4Very high82.8Confident0 Ų060.2 Ų60.20%029%0.288CS..Hα-helixtrans-60.2-44.5178177.40000112.6A312 L313 R314 S327A312-S316 WeakPolarHBondContact O-CB 3.41Å; A312-S316 PolarHBondContact O-N 3.25Å; L313-S316 WeakPolarHBondContact O-CB 3.44Å; L313-S316 PolarHBondContact O-N 3.05Å; L313-S316 VanDerWaalsContact O-N 3.15Å; R314-S316 PolarHBondContact O-N 2.97Å; S316-S327 WeakPolarHBondContact CA-OG 3.28Å; S316-S327 PolarHBondContact O-N 3.18Å; S316-S327 PolarHBondContact O-OG 2.99Å; S316-S327 PolarHBondContact OG-O 3.11Å
317F88.8Confident82.3Confident5 Ų561.1 Ų61.12%0.02230%0.295CS..Hα-helixtrans-84-26.2-179.9-71.5-72.5000114.2L4 P5 F28 L68 N91 L117 L313 R314 A319 H320 W326L4-F317 HydrophobicContact CD2-CB 3.87Å; P5-F317 HydrophobicContact CG-CB 4.31Å; P5-F317 HydrophobicContact CG-CD1 3.72Å; P5-F317 HydrophobicContact CG-CD2 3.81Å; P5-F317 HydrophobicContact CG-CE1 3.92Å; P5-F317 HydrophobicContact CG-CE2 4.03Å; P5-F317 HydrophobicContact CG-CG 3.68Å; P5-F317 HydrophobicContact CG-CZ 4.09Å; F28-F317 HydrophobicContact CE1-CD2 4.19Å; F28-F317 HydrophobicContact CZ-CD2 4.35Å; L68-F317 HydrophobicContact CD1-CZ 4.45Å; L68-F317 HydrophobicContact CD2-CE2 4.04Å; N91-F317 HydrophobicContact CB-CZ 4.28Å; L117-F317 HydrophobicContact CD2-CE2 4.08Å; L117-F317 HydrophobicContact CD2-CZ 3.95Å; L313-F317 HydrophobicContact CD2-CE2 4.41Å; L313-F317 VanDerWaalsContact O-CD2 3.23Å; L313-F317 WeakPolarHBondContact O-CD2 3.25Å; L313-F317 PolarHBondContact O-N 2.76Å; L313-F317 VanDerWaalsContact O-N 3.15Å; R314-F317 PolarHBondContact O-N 2.74Å; F317-A319 PolarHBondContact O-N 2.94Å; F317-A319 VanDerWaalsContact O-N 3.15Å; F317-H320 PolarHBondContact O-N 2.89Å; F317-W326 HydrophobicContact CD1-CB 3.86Å; F317-W326 HydrophobicContact CE1-CB 3.67Å; F317-W326 HydrophobicContact CE1-CG 4.5Å; F317-W326 HydrophobicContact CZ-CB 4.21Å
318Q84.7Confident81.6Confident94 Ų9466.6 Ų66.644%0.43932%0.318SS..Hα-helixtrans-64.7-17.3178.1-81.6-172.6-22.300114L4 R314 H320L4-Q318 HydrophobicContact CD2-CG 3.96Å; R314-Q318 HydrophobicContact CG-CG 4.13Å; R314-Q318 WeakPolarHBondContact O-CB 3.36Å; R314-Q318 VanDerWaalsContact O-CG 3.28Å; R314-Q318 WeakPolarHBondContact O-CG 3.35Å; R314-Q318 PolarHBondContact O-N 2.96Å; Q318-H320 PolarHBondContact O-N 2.87Å
319A67.6Low81.2Confident60 Ų6067.8 Ų67.850%0.49634%0.335SS..THydrogen-bonded Turntrans-71.4-9.3-179.800000114.1F317 S327F317-A319 PolarHBondContact O-N 2.94Å; F317-A319 VanDerWaalsContact O-N 3.15Å; A319-S327 WeakPolarHBondContact CB-OG 3.14Å
320H65.2Low80.7Confident62 Ų6269.7 Ų69.729%0.28735%0.348SS..  trans-129.7146.4-173.4-62.6-73.1000112.8A2 F317 Q318 L325 W326A2-H320 WeakPolarHBondContact CB-O 3.35Å; F317-H320 PolarHBondContact O-N 2.89Å; Q318-H320 PolarHBondContact O-N 2.87Å; H320-L325 HydrophobicContact CB-CB 3.78Å; H320-L325 PolarHBondContact CD2-O 2.81Å; H320-W326 PolarHBondContact NE2-O 2.71Å
321E60Low80.3Confident185 Ų18570.1 Ų70.186%0.86435%0.35SS*.SBendtrans-77.1-26.8173.8-68.5-169.9153.100112.4
322E63.2Low79.9Confident130 Ų13068.9 Ų68.961%0.60736%0.358SS*.SBendtrans-88.7127.1175-64.6-176.3-176.700111.2R324 L325E322-R324 PolarHBondContact O-N 3.11Å; E322-L325 HydrophobicContact CB-CD1 4.04Å; E322-L325 HydrophobicContact CB-CG 4.22Å; E322-L325 HydrophobicContact CG-CD1 4.38Å; E322-L325 PolarHBondContact O-N 3.15Å; E322-L325 VanDerWaalsContact O-N 3.16Å; E322-L325 WeakPolarHBondContact OE2-CD1 3.18Å
323Q59.6Low79.5Confident78 Ų7870.1 Ų70.136%0.36437%0.366SS..THydrogen-bonded Turntrans-56.3-22.9-176.1-75.8169.1-38.600114.9M3M3-Q323 HydrophobicContact CB-CG 4.04Å; M3-Q323 WeakPolarHBondContact O-CG 3.4Å
324R63.3Low79.5Confident145 Ų14570.4 Ų70.455%0.54737%0.369SS..THydrogen-bonded Turntrans-92.7-18.8-175.8-65.3-175.3-176.6163.67114.3D67 E322D67-R324 HydrophobicContact CB-CG 4.37Å; D67-R324 IonicContact OD1-CZ 3.74Å; D67-R324 IonicContact OD1-NE 2.93Å; D67-R324 PolarHBondContact OD1-NE 3.17Å; D67-R324 IonicContact OD1-NH2 3.67Å; E322-R324 PolarHBondContact O-N 3.11Å
325L74.1Confident79.5Confident83 Ų8366.6 Ų66.644%0.43535%0.354SS..  trans-86.6139.3-178.8-66.2175.1000109.9H320 E322H320-L325 HydrophobicContact CB-CB 3.78Å; H320-L325 PolarHBondContact CD2-O 2.81Å; E322-L325 HydrophobicContact CB-CD1 4.04Å; E322-L325 HydrophobicContact CB-CG 4.22Å; E322-L325 HydrophobicContact CG-CD1 4.38Å; E322-L325 PolarHBondContact O-N 3.15Å; E322-L325 VanDerWaalsContact O-N 3.16Å; E322-L325 WeakPolarHBondContact OE2-CD1 3.18Å
326W83.5Confident79.7Confident58 Ų5864.1 Ų64.122%0.2235%0.347CS..  trans-136.4155-177.667.8-80.9000110.6Q115 L117 F317 H320 Q328 V331Q115-W326 PolarHBondContact O-NE1 3.29Å; L117-W326 HydrophobicContact CB-CD2 4.03Å; L117-W326 HydrophobicContact CB-CG 4.21Å; L117-W326 HydrophobicContact CB-CZ2 4.26Å; L117-W326 HydrophobicContact CD1-CD2 4.03Å; L117-W326 HydrophobicContact CD1-CE3 3.78Å; L117-W326 HydrophobicContact CD1-CH2 3.8Å; L117-W326 HydrophobicContact CD1-CZ2 4.07Å; L117-W326 HydrophobicContact CD1-CZ3 3.62Å; L117-W326 VanDerWaalsContact N-NE1 3.19Å; F317-W326 HydrophobicContact CD1-CB 3.86Å; F317-W326 HydrophobicContact CE1-CB 3.67Å; F317-W326 HydrophobicContact CE1-CG 4.5Å; F317-W326 HydrophobicContact CZ-CB 4.21Å; H320-W326 PolarHBondContact NE2-O 2.71Å; W326-Q328 HydrophobicContact CH2-CB 4.4Å; W326-Q328 HydrophobicContact CH2-CG 4.25Å; W326-Q328 HydrophobicContact CZ3-CB 4.04Å; W326-Q328 HydrophobicContact CZ3-CG 4.13Å; W326-V331 HydrophobicContact CE3-CG2 3.92Å; W326-V331 HydrophobicContact CZ3-CG2 3.59Å
327S81.4Confident80Confident27 Ų2764.3 Ų64.319%0.18935%0.348CS..  trans-103.7131.9179.561.60000111.3S316 A319 G329S316-S327 WeakPolarHBondContact CA-OG 3.28Å; S316-S327 PolarHBondContact O-N 3.18Å; S316-S327 PolarHBondContact O-OG 2.99Å; S316-S327 PolarHBondContact OG-O 3.11Å; A319-S327 WeakPolarHBondContact CB-OG 3.14Å; S327-G329 VanDerWaalsContact C-N 3.32Å; S327-G329 PolarHBondContact O-N 3.09Å
328Q80.8Confident80.3Confident143 Ų14368 Ų6867%0.66837%0.365SS*.SBendtrans-67.4-32.1-174.9-166.4178.58.800113.6W326 V331 A332W326-Q328 HydrophobicContact CH2-CB 4.4Å; W326-Q328 HydrophobicContact CH2-CG 4.25Å; W326-Q328 HydrophobicContact CZ3-CB 4.04Å; W326-Q328 HydrophobicContact CZ3-CG 4.13Å; Q328-V331 CarbonylContact O-C 3.57Å; Q328-V331 PolarHBondContact O-N 3.4Å; Q328-A332 WeakPolarHBondContact O-CA 3.28Å; Q328-A332 WeakPolarHBondContact O-CB 3.46Å; Q328-A332 PolarHBondContact O-N 3.11Å
329G84.3Confident80.8Confident58 Ų5864.8 Ų64.860%0.59835%0.351SS*.G310 helixtrans-51.3-58.4-170.300000115S327 V331 A332S327-G329 VanDerWaalsContact C-N 3.32Å; S327-G329 PolarHBondContact O-N 3.09Å; G329-V331 PolarHBondContact O-N 3.46Å; G329-A332 VanDerWaalsContact O-CB 3.29Å; G329-A332 WeakPolarHBondContact O-CB 3.45Å; G329-A332 PolarHBondContact O-N 3.42Å; G329-A332 VanDerWaalsContact O-N 3.13Å
330P84.9Confident82.2Confident43 Ų4362.2 Ų62.228%0.27933%0.33SS..G310 helixtrans-61.9-25.8-175.8-27.137.4000114.7A312 Q315A312-P330 WeakPolarHBondContact CB-O 3.44Å; A312-P330 WeakPolarHBondContact O-CB 3.19Å; Q315-P330 HydrophobicContact CB-CB 3.75Å; Q315-P330 HydrophobicContact CB-CG 3.83Å
331V87.8Confident83.7Confident8 Ų859.7 Ų59.75%0.04832%0.318CS..G310 helixtrans-112.618.7179.8-66.20000112L117 A312 L313 W326 Q328 G329 S333 A334L117-V331 HydrophobicContact CD1-CG2 4.19Å; A312-V331 HydrophobicContact CB-CG1 4.08Å; L313-V331 HydrophobicContact CD2-CG1 4.32Å; W326-V331 HydrophobicContact CE3-CG2 3.92Å; W326-V331 HydrophobicContact CZ3-CG2 3.59Å; Q328-V331 CarbonylContact O-C 3.57Å; Q328-V331 PolarHBondContact O-N 3.4Å; G329-V331 PolarHBondContact O-N 3.46Å; V331-S333 PolarHBondContact O-N 2.85Å; V331-A334 HydrophobicContact CB-CB 4.13Å; V331-A334 WeakPolarHBondContact O-CB 3.42Å; V331-A334 PolarHBondContact O-N 2.86Å
332A86.3Confident85.5Confident67 Ų6751 Ų5155%0.55428%0.278SS*.THydrogen-bonded Turntrans-64.5-27.9-175.600000112.9Q328 G329 A334Q328-A332 WeakPolarHBondContact O-CA 3.28Å; Q328-A332 WeakPolarHBondContact O-CB 3.46Å; Q328-A332 PolarHBondContact O-N 3.11Å; G329-A332 VanDerWaalsContact O-CB 3.29Å; G329-A332 WeakPolarHBondContact O-CB 3.45Å; G329-A332 PolarHBondContact O-N 3.42Å; G329-A332 VanDerWaalsContact O-N 3.13Å; A332-A334 VanDerWaalsContact C-N 3.32Å
333S86.1Confident87.1Confident34 Ų3445.1 Ų45.124%0.23825%0.251CS..THydrogen-bonded Turntrans-83.2-7.4174.2570000113.6R125 V331R125-S333 WeakPolarHBondContact CD-O 3.36Å; R125-S333 PolarHBondContact NH1-O 3.36Å; R125-S333 VanDerWaalsContact NH1-O 3.14Å; V331-S333 PolarHBondContact O-N 2.85Å
334A92.5Very high88.8Confident8 Ų841.5 Ų41.57%0.06623%0.234CC..SBendtrans-59.6141.6-179.700000110.8M119 F126 V331 A332 T336M119-A334 HydrophobicContact CB-CB 4.26Å; M119-A334 HydrophobicContact CE-CB 3.74Å; M119-A334 HydrophobicContact SD-CB 4.07Å; F126-A334 HydrophobicContact CE2-CB 4.23Å; F126-A334 HydrophobicContact CZ-CB 3.75Å; V331-A334 HydrophobicContact CB-CB 4.13Å; V331-A334 WeakPolarHBondContact O-CB 3.42Å; V331-A334 PolarHBondContact O-N 2.86Å; A332-A334 VanDerWaalsContact C-N 3.32Å; A334-T336 PolarHBondContact O-N 2.92Å
335P94.3Very high90.4Very high1 Ų135 Ų351%0.00621%0.21CC..PPolyproline II helixtrans-69.9134.117414.2-4.4000109.6M119 M120 N122 D339M119-P335 CarbonylContact C-O 3.38Å; M119-P335 WeakPolarHBondContact CA-O 3.23Å; M119-P335 WeakPolarHBondContact CB-O 3.49Å; M120-P335 HydrophobicContact CB-CB 3.95Å; M120-P335 HydrophobicContact CB-CG 4.02Å; M120-P335 HydrophobicContact CG-CB 4.44Å; M120-P335 PolarHBondContact N-O 3.4Å; N122-P335 HydrophobicContact CB-CG 3.74Å; P335-D339 HydrophobicContact CB-CB 4.25Å
336T95.3Very high91.5Very high58 Ų5831.1 Ų31.136%0.35619%0.19SC..BIsolated β-bridgetrans-88.8170.2178.463.60000111.1M120 A334 E338 D339 G340M120-T336 WeakPolarHBondContact CG-O 3.44Å; A334-T336 PolarHBondContact O-N 2.92Å; T336-E338 PolarHBondContact O-N 3.37Å; T336-E338 PolarHBondContact OG1-N 2.88Å; T336-D339 PolarHBondContact N-OD2 2.83Å; T336-D339 WeakPolarHBondContact O-CB 3.39Å; T336-D339 PolarHBondContact O-N 3.23Å; T336-D339 VanDerWaalsContact O-N 3.13Å; T336-D339 PolarHBondContact OG1-N 3.46Å; T336-D339 PolarHBondContact OG1-OD2 2.93Å; T336-G340 PolarHBondContact O-N 3.05Å
337F96.3Very high92.2Very high4 Ų428.3 Ų28.32%0.01818%0.179CC..Hα-helixtrans-60.6-26.9169.7-74.11.2000112.6A82 L86 V92 C94 M106 V107 A110 M120 G340 L341A82-F337 HydrophobicContact CB-CE2 4.45Å; A82-F337 HydrophobicContact CB-CZ 4.28Å; L86-F337 HydrophobicContact CD1-CD2 4.46Å; L86-F337 HydrophobicContact CD1-CE2 3.8Å; V92-F337 HydrophobicContact CB-CZ 4.39Å; V92-F337 HydrophobicContact CG1-CZ 3.88Å; C94-F337 HydrophobicContact CB-CE1 4.02Å; C94-F337 HydrophobicContact CB-CZ 4.2Å; M106-F337 HydrophobicContact CB-CD2 3.65Å; M106-F337 HydrophobicContact CB-CE2 3.89Å; M106-F337 HydrophobicContact CB-CG 4.24Å; M106-F337 HydrophobicContact CE-CD1 4.01Å; M106-F337 HydrophobicContact CE-CD2 4.19Å; M106-F337 HydrophobicContact CE-CE1 3.61Å; M106-F337 HydrophobicContact CE-CE2 3.79Å; M106-F337 HydrophobicContact CE-CG 4.27Å; M106-F337 HydrophobicContact CE-CZ 3.48Å; M106-F337 VanDerWaalsContact CE-CZ 3.48Å; M106-F337 WeakPolarHBondContact O-CD2 3.48Å; V107-F337 HydrophobicContact CG2-CB 3.92Å; V107-F337 WeakPolarHBondContact CG2-O 3.43Å; A110-F337 HydrophobicContact CB-CD2 3.84Å; M120-F337 HydrophobicContact CG-CD1 4.17Å; M120-F337 HydrophobicContact SD-CD1 3.45Å; M120-F337 WeakPolarHBondContact SD-CD1 3.42Å; M120-F337 HydrophobicContact SD-CE1 3.87Å; M120-F337 HydrophobicContact SD-CG 4.45Å; F337-G340 PolarHBondContact O-N 2.95Å; F337-L341 PolarHBondContact O-N 2.85Å
338E95.3Very high92.9Very high82 Ų8230.4 Ų30.438%0.38319%0.186SC..Hα-helixtrans-70-36.4174.8-60.6-167.3152.700112.1V107 R111 T336 G340 L341 Y342V107-E338 HydrophobicContact CG1-CG 3.98Å; V107-E338 HydrophobicContact CG2-CG 4.2Å; R111-E338 IonicContact CZ-OE1 2.74Å; R111-E338 VanDerWaalsContact CZ-OE1 3.27Å; R111-E338 IonicContact NE-OE1 3.45Å; R111-E338 PolarHBondContact NE-OE1 3.02Å; R111-E338 IonicContact NH2-OE1 3.69Å; R111-E338 PolarHBondContact NH2-OE1 2.93Å; T336-E338 PolarHBondContact O-N 3.37Å; T336-E338 PolarHBondContact OG1-N 2.88Å; E338-G340 VanDerWaalsContact C-N 3.33Å; E338-L341 PolarHBondContact O-N 3.03Å; E338-Y342 PolarHBondContact O-N 2.89Å; E338-Y342 VanDerWaalsContact O-N 3.09Å
339D96Very high93.7Very high27 Ų2723.9 Ų23.914%0.14416%0.157CC..Hα-helixtrans-65.6-40.5170-61.5-47.9000110.5R125 R193 P335 T336 L341 Y342 V343R125-D339 IonicContact NH1-OD2 2.8Å; R125-D339 IonicContact NH2-OD1 2.76Å; R125-D339 IonicContact NH2-OD2 2.66Å; R193-D339 IonicContact NH2-OD1 3.19Å; R193-D339 PolarHBondContact NH2-OD1 2.7Å; R193-D339 VanDerWaalsContact NH2-OD1 3.16Å; P335-D339 HydrophobicContact CB-CB 4.25Å; T336-D339 PolarHBondContact N-OD2 2.83Å; T336-D339 WeakPolarHBondContact O-CB 3.39Å; T336-D339 PolarHBondContact O-N 3.23Å; T336-D339 VanDerWaalsContact O-N 3.13Å; T336-D339 PolarHBondContact OG1-N 3.46Å; T336-D339 PolarHBondContact OG1-OD2 2.93Å; D339-L341 PolarHBondContact O-N 2.89Å; D339-Y342 PolarHBondContact O-N 2.88Å; D339-V343 WeakPolarHBondContact O-CB 3.15Å; D339-V343 WeakPolarHBondContact O-CG2 3.37Å; D339-V343 PolarHBondContact O-N 2.73Å
340G96Very high94.3Very high5 Ų521.1 Ų21.15%0.05213%0.128CC..Hα-helixtrans-56.8-44.8173.100000113.2T336 F337 E338 V343 Q344T336-G340 PolarHBondContact O-N 3.05Å; F337-G340 PolarHBondContact O-N 2.95Å; E338-G340 VanDerWaalsContact C-N 3.33Å; G340-V343 PolarHBondContact O-N 2.9Å; G340-Q344 WeakPolarHBondContact O-CG 3.21Å; G340-Q344 PolarHBondContact O-N 3.21Å
341L96.8Very high94.9Very high9 Ų921 Ų215%0.04712%0.123CC..Hα-helixtrans-60.9-48.6174.9173.460.8000111.6A100 S103 F104 V107 F337 E338 D339 V343 Q344 T345 I364A100-L341 HydrophobicContact CB-CD1 4.23Å; A100-L341 VanDerWaalsContact O-CD1 3.28Å; A100-L341 WeakPolarHBondContact O-CD1 3.37Å; S103-L341 VanDerWaalsContact CB-CA 3.5Å; F104-L341 HydrophobicContact CB-CD1 4.07Å; F104-L341 HydrophobicContact CD2-CD2 4.04Å; V107-L341 HydrophobicContact CG2-CB 3.91Å; V107-L341 HydrophobicContact CG2-CD2 4.23Å; F337-L341 PolarHBondContact O-N 2.85Å; E338-L341 PolarHBondContact O-N 3.03Å; D339-L341 PolarHBondContact O-N 2.89Å; L341-V343 VanDerWaalsContact C-N 3.33Å; L341-V343 PolarHBondContact O-N 3.29Å; L341-Q344 PolarHBondContact O-N 3.03Å; L341-T345 PolarHBondContact O-N 2.83Å; L341-T345 PolarHBondContact O-OG1 2.95Å; L341-T345 VanDerWaalsContact O-OG1 3.05Å; L341-I364 HydrophobicContact CD2-CG2 3.93Å; L341-I364 HydrophobicContact CG-CG2 4.05Å
342Y96.9Very high95.3Very high2 Ų226 Ų261%0.00815%0.146CC..Hα-helixtrans-58-46.2176.8158.9-102.3000112I183 S187 R193 A194 E338 D339 Q344 T345 V346 V362 I364I183-Y342 HydrophobicContact CG2-CE1 4.04Å; S187-Y342 WeakPolarHBondContact OG-CE1 3.36Å; S187-Y342 PolarHBondContact OG-OH 3.13Å; R193-Y342 HydrophobicContact CB-CD2 4.31Å; R193-Y342 HydrophobicContact CB-CE2 3.64Å; R193-Y342 HydrophobicContact CG-CD2 4.13Å; R193-Y342 HydrophobicContact CG-CE1 4.3Å; R193-Y342 HydrophobicContact CG-CE2 3.8Å; R193-Y342 HydrophobicContact CG-CG 4.47Å; A194-Y342 PolarHBondContact N-OH 3.46Å; E338-Y342 PolarHBondContact O-N 2.89Å; E338-Y342 VanDerWaalsContact O-N 3.09Å; D339-Y342 PolarHBondContact O-N 2.88Å; Y342-Q344 VanDerWaalsContact C-N 3.33Å; Y342-Q344 PolarHBondContact O-N 2.86Å; Y342-T345 WeakPolarHBondContact O-CB 3.26Å; Y342-T345 PolarHBondContact O-N 2.77Å; Y342-V346 HydrophobicContact CD2-CG2 4.06Å; Y342-V346 HydrophobicContact CE1-CG2 4.33Å; Y342-V346 HydrophobicContact CE2-CG2 3.53Å; Y342-V346 WeakPolarHBondContact O-CG2 3.47Å; Y342-V346 PolarHBondContact O-N 2.88Å; Y342-V362 HydrophobicContact CE2-CG1 4.35Å; Y342-I364 HydrophobicContact CD2-CD1 3.92Å; Y342-I364 HydrophobicContact CD2-CG1 4.39Å; Y342-I364 HydrophobicContact CG-CD1 4.47Å
343V97.2Very high95.9Very high7 Ų722.9 Ų22.94%0.04212%0.12CC..Hα-helixtrans-58.7-45.8178.5169.10000111S180 I183 D184 D339 G340 L341 T345 V346 V347S180-V343 VanDerWaalsContact CA-CG1 3.49Å; S180-V343 WeakPolarHBondContact O-CG1 3.46Å; I183-V343 HydrophobicContact CB-CG1 4.46Å; I183-V343 HydrophobicContact CG2-CG2 4.16Å; D184-V343 HydrophobicContact CB-CG2 3.71Å; D339-V343 WeakPolarHBondContact O-CB 3.15Å; D339-V343 WeakPolarHBondContact O-CG2 3.37Å; D339-V343 PolarHBondContact O-N 2.73Å; G340-V343 PolarHBondContact O-N 2.9Å; L341-V343 VanDerWaalsContact C-N 3.33Å; L341-V343 PolarHBondContact O-N 3.29Å; V343-T345 PolarHBondContact O-N 3.08Å; V343-V346 PolarHBondContact O-N 2.71Å; V343-V347 WeakPolarHBondContact O-CG2 3.49Å; V343-V347 PolarHBondContact O-N 2.72Å
344Q96.1Very high96.4Very high3 Ų322.6 Ų22.61%0.01412%0.118CC..Hα-helixtrans-66.6-36.6178.5-70.2-54.2-49.600112.5A97 A100 S103 H176 G340 L341 Y342 V346 V347 E348A97-Q344 VanDerWaalsContact O-CD 3.32Å; A97-Q344 PolarHBondContact O-NE2 3.32Å; A97-Q344 PolarHBondContact O-OE1 2.89Å; A100-Q344 HydrophobicContact CB-CB 4.14Å; S103-Q344 VanDerWaalsContact OG-CG 3.25Å; S103-Q344 WeakPolarHBondContact OG-CG 3.48Å; H176-Q344 PolarHBondContact CE1-OE1 2.88Å; H176-Q344 VanDerWaalsContact CE1-OE1 3.26Å; G340-Q344 WeakPolarHBondContact O-CG 3.21Å; G340-Q344 PolarHBondContact O-N 3.21Å; L341-Q344 PolarHBondContact O-N 3.03Å; Y342-Q344 VanDerWaalsContact C-N 3.33Å; Y342-Q344 PolarHBondContact O-N 2.86Å; Q344-V346 VanDerWaalsContact C-N 3.32Å; Q344-V346 PolarHBondContact O-N 2.87Å; Q344-V347 PolarHBondContact O-N 2.92Å; Q344-E348 WeakPolarHBondContact O-CG 3.23Å; Q344-E348 PolarHBondContact O-N 2.9Å
345T96.9Very high96.6Very high9 Ų927 Ų276%0.05515%0.149CC..Hα-helixtrans-59.8-42.9171.6-58.60000111.7L341 Y342 V343 E348 A349 V362 E363L341-T345 PolarHBondContact O-N 2.83Å; L341-T345 PolarHBondContact O-OG1 2.95Å; L341-T345 VanDerWaalsContact O-OG1 3.05Å; Y342-T345 WeakPolarHBondContact O-CB 3.26Å; Y342-T345 PolarHBondContact O-N 2.77Å; V343-T345 PolarHBondContact O-N 3.08Å; T345-E348 PolarHBondContact O-N 3.01Å; T345-A349 WeakPolarHBondContact O-CB 3.44Å; T345-A349 PolarHBondContact O-N 2.91Å; T345-V362 HydrophobicContact CG2-CG1 3.88Å; T345-E363 WeakPolarHBondContact CG2-O 3.5Å
346V97.8Very high96.7Very high0 Ų029.7 Ų29.70%017%0.168CC..Hα-helixtrans-64.7-43.2176.2175.70000111I183 A194 V197 M227 Y342 V343 Q344 E348 A349 V350 V362I183-V346 HydrophobicContact CD1-CB 4.21Å; I183-V346 HydrophobicContact CD1-CG1 3.67Å; I183-V346 HydrophobicContact CG1-CG1 4.02Å; I183-V346 HydrophobicContact CG2-CB 3.91Å; I183-V346 HydrophobicContact CG2-CG1 3.84Å; I183-V346 HydrophobicContact CG2-CG2 4.07Å; A194-V346 HydrophobicContact CB-CG2 4.34Å; V197-V346 HydrophobicContact CG1-CG1 4.11Å; M227-V346 HydrophobicContact SD-CG1 3.87Å; Y342-V346 HydrophobicContact CD2-CG2 4.06Å; Y342-V346 HydrophobicContact CE1-CG2 4.33Å; Y342-V346 HydrophobicContact CE2-CG2 3.53Å; Y342-V346 WeakPolarHBondContact O-CG2 3.47Å; Y342-V346 PolarHBondContact O-N 2.88Å; V343-V346 PolarHBondContact O-N 2.71Å; Q344-V346 VanDerWaalsContact C-N 3.32Å; Q344-V346 PolarHBondContact O-N 2.87Å; V346-E348 PolarHBondContact O-N 2.98Å; V346-A349 PolarHBondContact O-N 2.97Å; V346-V350 HydrophobicContact CG1-CG2 4.35Å; V346-V350 VanDerWaalsContact O-CG2 3.31Å; V346-V350 WeakPolarHBondContact O-CG2 3.47Å; V346-V350 PolarHBondContact O-N 3.31Å; V346-V362 HydrophobicContact CG2-CG1 3.75Å; V346-V362 HydrophobicContact CG2-CG2 4.28Å
347V97.1Very high96.7Very high0 Ų029.6 Ų29.60%018%0.178CC..Hα-helixtrans-58.5-46.3176.6166.80000111.2L175 H176 I183 V343 Q344 V350 K351L175-V347 HydrophobicContact CD2-CG1 3.89Å; L175-V347 HydrophobicContact CG-CG1 4.08Å; L175-V347 HydrophobicContact CG-CG2 4.34Å; H176-V347 WeakPolarHBondContact NE2-CG1 3.2Å; I183-V347 HydrophobicContact CD1-CG2 3.8Å; V343-V347 WeakPolarHBondContact O-CG2 3.49Å; V343-V347 PolarHBondContact O-N 2.72Å; Q344-V347 PolarHBondContact O-N 2.92Å; V347-V350 PolarHBondContact O-N 3.45Å; V347-K351 HydrophobicContact CG1-CD 4.47Å; V347-K351 WeakPolarHBondContact O-CG 3.42Å; V347-K351 PolarHBondContact O-N 2.76Å
348E96.1Very high96.8Very high70 Ų7035.9 Ų35.933%0.32721%0.207SC..Hα-helixtrans-63.8-41.9176.7-72.5176.5-176.600112.2A100 Q344 T345 V346 V350 K351 Q352A100-E348 WeakPolarHBondContact CB-OE1 3.36Å; A100-E348 VanDerWaalsContact CB-OE2 3.28Å; A100-E348 WeakPolarHBondContact CB-OE2 3.38Å; A100-E348 PolarHBondContact N-OE1 2.73Å; Q344-E348 WeakPolarHBondContact O-CG 3.23Å; Q344-E348 PolarHBondContact O-N 2.9Å; T345-E348 PolarHBondContact O-N 3.01Å; V346-E348 PolarHBondContact O-N 2.98Å; E348-V350 PolarHBondContact O-N 2.86Å; E348-K351 WeakPolarHBondContact O-CB 3.38Å; E348-K351 PolarHBondContact O-N 3.11Å; E348-Q352 PolarHBondContact O-N 2.88Å
349A97.4Very high96.9Very high7 Ų736.3 Ų36.36%0.05821%0.205CC..Hα-helixtrans-63.9-38.2176.300000112.5V197 T345 V346 Q352 S353 V360 V362V197-A349 HydrophobicContact CG2-CB 3.55Å; T345-A349 WeakPolarHBondContact O-CB 3.44Å; T345-A349 PolarHBondContact O-N 2.91Å; V346-A349 PolarHBondContact O-N 2.97Å; A349-Q352 PolarHBondContact O-N 3.31Å; A349-S353 WeakPolarHBondContact O-CB 3.43Å; A349-S353 PolarHBondContact O-N 3.08Å; A349-V360 HydrophobicContact CB-CB 4.45Å; A349-V360 HydrophobicContact CB-CG1 3.9Å; A349-V362 HydrophobicContact CB-CG2 4.39Å
350V97.9Very high97Very high0 Ų035.8 Ų35.80%020%0.203CC..Hα-helixtrans-65.4-40.8174.5171.20000110.9L175 V197 L201 F225 V346 V347 E348 S353 S354L175-V350 HydrophobicContact CD1-CG1 4.12Å; L175-V350 HydrophobicContact CD2-CB 4.12Å; L175-V350 HydrophobicContact CD2-CG1 3.85Å; V197-V350 HydrophobicContact CB-CG2 3.98Å; V197-V350 HydrophobicContact CG1-CG2 4.36Å; V197-V350 HydrophobicContact CG2-CG2 3.89Å; L201-V350 HydrophobicContact CD1-CG1 3.75Å; F225-V350 HydrophobicContact CB-CG1 3.81Å; F225-V350 HydrophobicContact CB-CG2 4.07Å; F225-V350 HydrophobicContact CD1-CG1 4.47Å; F225-V350 HydrophobicContact CD2-CG2 4.13Å; F225-V350 HydrophobicContact CG-CG1 4.2Å; F225-V350 HydrophobicContact CG-CG2 4.14Å; V346-V350 HydrophobicContact CG1-CG2 4.35Å; V346-V350 VanDerWaalsContact O-CG2 3.31Å; V346-V350 WeakPolarHBondContact O-CG2 3.47Å; V346-V350 PolarHBondContact O-N 3.31Å; V347-V350 PolarHBondContact O-N 3.45Å; E348-V350 PolarHBondContact O-N 2.86Å; V350-S353 WeakPolarHBondContact O-CB 3.49Å; V350-S353 PolarHBondContact O-N 3.41Å; V350-S354 PolarHBondContact O-N 2.65Å
351K96.4Very high97Very high39 Ų3938.8 Ų38.817%0.1722%0.222CC..Hα-helixtrans-61.3-46.7173.9-70.4173.8172.2-1540111.7E168 L175 H176 L201 V347 E348 S353 S354 S355E168-K351 VanDerWaalsContact OE1-CD 3.28Å; E168-K351 WeakPolarHBondContact OE1-CD 3.3Å; E168-K351 WeakPolarHBondContact OE1-CE 3.24Å; E168-K351 IonicContact OE1-NZ 2.8Å; E168-K351 PolarHBondContact OE1-NZ 3.14Å; L175-K351 HydrophobicContact CD2-CG 3.96Å; H176-K351 VanDerWaalsContact CD2-CE 3.49Å; H176-K351 WeakPolarHBondContact CD2-CE 3.49Å; H176-K351 PolarHBondContact CD2-NZ 3.46Å; H176-K351 VanDerWaalsContact NE2-CE 3.27Å; H176-K351 WeakPolarHBondContact NE2-CE 3.28Å; H176-K351 PolarHBondContact NE2-NZ 2.83Å; L201-K351 HydrophobicContact CD2-CG 4.18Å; V347-K351 HydrophobicContact CG1-CD 4.47Å; V347-K351 WeakPolarHBondContact O-CG 3.42Å; V347-K351 PolarHBondContact O-N 2.76Å; E348-K351 WeakPolarHBondContact O-CB 3.38Å; E348-K351 PolarHBondContact O-N 3.11Å; K351-S353 VanDerWaalsContact C-N 3.31Å; K351-S353 PolarHBondContact O-N 3.36Å; K351-S354 PolarHBondContact O-N 3.07Å; K351-S355 PolarHBondContact O-N 3.08Å; K351-S355 VanDerWaalsContact O-N 3.08Å
352Q96.8Very high97Very high115 Ų11539.3 Ų39.354%0.53723%0.226SC..Hα-helixtrans-59.9-42.7176.3-176.8-179.5-3.500111.4E348 A349 S354 S355 S356 V360E348-Q352 PolarHBondContact O-N 2.88Å; A349-Q352 PolarHBondContact O-N 3.31Å; Q352-S354 PolarHBondContact O-N 3.28Å; Q352-S355 PolarHBondContact O-N 3.5Å; Q352-S355 PolarHBondContact O-OG 2.78Å; Q352-S356 WeakPolarHBondContact O-CB 3.22Å; Q352-S356 PolarHBondContact O-N 3.34Å; Q352-S356 PolarHBondContact O-OG 2.92Å; Q352-V360 HydrophobicContact CB-CG1 4.46Å; Q352-V360 HydrophobicContact CB-CG2 4.22Å; Q352-V360 HydrophobicContact CG-CG1 4.4Å; Q352-V360 HydrophobicContact CG-CG2 3.99Å
353S98Very high96.7Very high0 Ų046.6 Ų46.60%026%0.26CS..Hα-helixtrans-60.7-44.9175.2178.60000111.6H198 G199 A349 V350 K351 S355 S356 G357 E358H198-S353 VanDerWaalsContact CA-OG 3.24Å; H198-S353 WeakPolarHBondContact CA-OG 3.19Å; G199-S353 PolarHBondContact N-OG 3.2Å; G199-S353 VanDerWaalsContact N-OG 3.07Å; A349-S353 WeakPolarHBondContact O-CB 3.43Å; A349-S353 PolarHBondContact O-N 3.08Å; V350-S353 WeakPolarHBondContact O-CB 3.49Å; V350-S353 PolarHBondContact O-N 3.41Å; K351-S353 VanDerWaalsContact C-N 3.31Å; K351-S353 PolarHBondContact O-N 3.36Å; S353-S355 VanDerWaalsContact C-N 3.26Å; S353-S355 PolarHBondContact O-N 3.19Å; S353-S356 PolarHBondContact O-N 3.46Å; S353-S356 PolarHBondContact O-OG 3.36Å; S353-G357 WeakPolarHBondContact O-CA 3.43Å; S353-G357 PolarHBondContact O-N 2.93Å; S353-E358 VanDerWaalsContact CB-O 3.3Å; S353-E358 WeakPolarHBondContact CB-O 3.32Å; S353-E358 PolarHBondContact OG-O 3.26Å
354S97.4Very high96.3Very high28 Ų2849.6 Ų49.620%0.19628%0.275CS..Hα-helixtrans-62.7-32.2178-176.40000113.3G199 L201 V350 K351 Q352G199-S354 WeakPolarHBondContact O-CA 3.5Å; G199-S354 PolarHBondContact O-N 2.99Å; L201-S354 PolarHBondContact N-OG 3.26Å; V350-S354 PolarHBondContact O-N 2.65Å; K351-S354 PolarHBondContact O-N 3.07Å; Q352-S354 PolarHBondContact O-N 3.28Å
355S96.4Very high95.8Very high102 Ų10251.5 Ų51.571%0.71329%0.285SS*.Hα-helixtrans-79-34.7176.760.30000113.7K351 Q352 S353K351-S355 PolarHBondContact O-N 3.08Å; K351-S355 VanDerWaalsContact O-N 3.08Å; Q352-S355 PolarHBondContact O-N 3.5Å; Q352-S355 PolarHBondContact O-OG 2.78Å; S353-S355 VanDerWaalsContact C-N 3.26Å; S353-S355 PolarHBondContact O-N 3.19Å
356S96.9Very high95Very high57 Ų5756.1 Ų56.140%0.39932%0.317SS..Hα-helixtrans-89.6-27.1-175.855.30000113.1Q352 S353 E358Q352-S356 WeakPolarHBondContact O-CB 3.22Å; Q352-S356 PolarHBondContact O-N 3.34Å; Q352-S356 PolarHBondContact O-OG 2.92Å; S353-S356 PolarHBondContact O-N 3.46Å; S353-S356 PolarHBondContact O-OG 3.36Å; S356-E358 PolarHBondContact OG-N 2.78Å
357G95.5Very high94Very high55 Ų5563.4 Ų63.457%0.56735%0.351SS*.SBendtrans74.611.9-169.100000113.7S353S353-G357 WeakPolarHBondContact O-CA 3.43Å; S353-G357 PolarHBondContact O-N 2.93Å
358E96.9Very high92.9Very high136 Ų13668.4 Ų68.464%0.63638%0.375SS*.SBendtrans-114.7161.7-174.4-62.2-174164.700112.3S353 S356S353-E358 VanDerWaalsContact CB-O 3.3Å; S353-E358 WeakPolarHBondContact CB-O 3.32Å; S353-E358 PolarHBondContact OG-O 3.26Å; S356-E358 PolarHBondContact OG-N 2.78Å
359W97.8Very high91.3Very high91 Ų9166.8 Ų66.835%0.34537%0.37SS..  trans-72.8126.3169.2-79.788.2000110.4R196 V197 H198 Q226 L228R196-W359 HydrophobicContact CB-CE3 4.04Å; V197-W359 WeakPolarHBondContact O-CA 3.47Å; H198-W359 HydrophobicContact CB-CD2 3.49Å; H198-W359 VanDerWaalsContact CB-CD2 3.49Å; H198-W359 HydrophobicContact CB-CE3 3.6Å; H198-W359 HydrophobicContact CB-CG 4.03Å; H198-W359 HydrophobicContact CB-CH2 3.93Å; H198-W359 HydrophobicContact CB-CZ2 3.82Å; H198-W359 HydrophobicContact CB-CZ3 3.82Å; Q226-W359 HydrophobicContact CB-CH2 3.96Å; L228-W359 HydrophobicContact CD1-CE3 4.25Å; L228-W359 HydrophobicContact CD1-CH2 4.05Å; L228-W359 HydrophobicContact CD1-CZ3 3.81Å; L228-W359 HydrophobicContact CD2-CH2 4.34Å; L228-W359 HydrophobicContact CG-CH2 3.88Å; L228-W359 HydrophobicContact CG-CZ3 3.68Å
360V98Very high89.6Confident16 Ų1671 Ų7110%0.09739%0.392CS..EExtended strand (participates in β ladder)trans-108.4138.3-177.6179.30000110.2R196 V197 A349 Q352R196-V360 CarbonylContact C-O 3.5Å; R196-V360 VanDerWaalsContact CA-O 3.26Å; R196-V360 WeakPolarHBondContact CA-O 3.28Å; V197-V360 HydrophobicContact CG2-CB 4.43Å; V197-V360 PolarHBondContact N-O 3.33Å; V197-V360 PolarHBondContact O-N 3.43Å; A349-V360 HydrophobicContact CB-CB 4.45Å; A349-V360 HydrophobicContact CB-CG1 3.9Å; Q352-V360 HydrophobicContact CB-CG1 4.46Å; Q352-V360 HydrophobicContact CB-CG2 4.22Å; Q352-V360 HydrophobicContact CG-CG1 4.4Å; Q352-V360 HydrophobicContact CG-CG2 3.99Å
361C96.9Very high87.7Confident68 Ų6875.5 Ų75.546%0.45942%0.421SS..EExtended strand (participates in β ladder)trans-76144.1173.4-67.40000111H195 E363H195-C361 WeakPolarHBondContact O-CA 3.48Å; C361-E363 HydrophobicContact CB-CG 4.44Å
362V95.8Very high85.6Confident20 Ų2078.6 Ų78.612%0.12144%0.44CS..  trans-93.4103.3176.5-178.20000108.7A194 H195 V197 Y342 T345 V346 A349A194-V362 HydrophobicContact CB-CG2 4.08Å; A194-V362 WeakPolarHBondContact O-CB 3.28Å; H195-V362 PolarHBondContact O-N 2.97Å; V197-V362 HydrophobicContact CG1-CG2 3.79Å; V197-V362 HydrophobicContact CG2-CG2 4.36Å; Y342-V362 HydrophobicContact CE2-CG1 4.35Å; T345-V362 HydrophobicContact CG2-CG1 3.88Å; V346-V362 HydrophobicContact CG2-CG1 3.75Å; V346-V362 HydrophobicContact CG2-CG2 4.28Å; A349-V362 HydrophobicContact CB-CG2 4.39Å
363E91.8Very high83.3Confident155 Ų15578.2 Ų78.272%0.72444%0.438SS*.  trans-112.1107.1-179.1-66.2-175.2-175.300110.3T345 C361 M365T345-E363 WeakPolarHBondContact CG2-O 3.5Å; C361-E363 HydrophobicContact CB-CG 4.44Å; E363-M365 PolarHBondContact O-N 2.83Å
364I88.8Confident80.9Confident71 Ų7182.1 Ų82.136%0.36446%0.458SS..  trans-73.1130.3-178.6-56.1175.2000109.3R193 L341 Y342 S366R193-I364 VanDerWaalsContact NH1-CD1 3.31Å; L341-I364 HydrophobicContact CD2-CG2 3.93Å; L341-I364 HydrophobicContact CG-CG2 4.05Å; Y342-I364 HydrophobicContact CD2-CD1 3.92Å; Y342-I364 HydrophobicContact CD2-CG1 4.39Å; Y342-I364 HydrophobicContact CG-CD1 4.47Å; I364-S366 PolarHBondContact O-N 2.81Å
365M85.3Confident78.3Confident43 Ų4385.9 Ų85.921%0.21248%0.476CS..  trans-58.2126.1178.6-61.5173.96800111.6A100 V101 F104 E363 P369A100-M365 HydrophobicContact CB-SD 3.61Å; V101-M365 HydrophobicContact CG2-CE 4.06Å; V101-M365 HydrophobicContact CG2-SD 4.49Å; F104-M365 HydrophobicContact CD2-CB 4.13Å; E363-M365 PolarHBondContact O-N 2.83Å; M365-P369 HydrophobicContact CE-CG 3.61Å
366S80.4Confident75.4Confident105 Ų10584.5 Ų84.573%0.73447%0.465SS*.  trans-103.7-19.4176.858.20000113.3I364I364-S366 PolarHBondContact O-N 2.81Å
367Q77.3Confident72.9Confident154 Ų15486 Ų8672%0.7247%0.466SS*.SBendtrans-136.6154179.2-63-174.6-0.600110.2
368E72.1Confident70.3Confident105 Ų10586 Ų8649%0.49146%0.46SS..PPolyproline II helixtrans-67.2128.5173.2-166.7175.9169.600109F104 K105F104-E368 HydrophobicContact CD1-CB 4.25Å; F104-E368 HydrophobicContact CE1-CB 3.86Å; K105-E368 VanDerWaalsContact CE-CD 3.46Å; K105-E368 WeakPolarHBondContact CE-OE1 3.49Å; K105-E368 IonicContact NZ-OE1 3.56Å; K105-E368 PolarHBondContact NZ-OE1 2.92Å
369P64.5Low67.5Low36 Ų3684.4 Ų84.423%0.23446%0.456CS..PPolyproline II helixtrans-67.2141.717924.1-28.3000108.9V101 M365V101-P369 HydrophobicContact CG1-CG 4.32Å; V101-P369 HydrophobicContact CG2-CG 3.85Å; M365-P369 HydrophobicContact CE-CG 3.61Å
370D61.5Low64.9Low95 Ų9586.3 Ų86.351%0.50847%0.468SS..PPolyproline II helixtrans-53124.8177.6-174.7-26000108.7N372 H373D370-N372 PolarHBondContact O-N 2.95Å; D370-N372 WeakPolarHBondContact OD1-CB 3.31Å; D370-N372 PolarHBondContact OD1-N 3.07Å; D370-N372 PolarHBondContact OD1-ND2 3.46Å; D370-H373 VanDerWaalsContact O-CB 3.23Å; D370-H373 WeakPolarHBondContact O-CB 3.35Å; D370-H373 PolarHBondContact O-N 3.02Å
371P57.3Low62.4Low95 Ų9594 Ų9462%0.61750%0.496SS*.Hα-helixtrans-55.2-21.2-179.819.6-31.6000113.4
372N52.5Low59.8Low104 Ų10497.6 Ų97.656%0.55651%0.51SS*.Hα-helixtrans-76.8-17.4175-61.4-52.5000114.1D370 C376D370-N372 PolarHBondContact O-N 2.95Å; D370-N372 WeakPolarHBondContact OD1-CB 3.31Å; D370-N372 PolarHBondContact OD1-N 3.07Å; D370-N372 PolarHBondContact OD1-ND2 3.46Å; N372-C376 PolarHBondContact O-N 2.89Å
373H49.1Very low57Low107 Ų107105.1 Ų105.150%0.49554%0.542SS..Hα-helixtrans-69.1-41.3-179.6-161.175.1000111.9D370 L375 C376 E377D370-H373 VanDerWaalsContact O-CB 3.23Å; D370-H373 WeakPolarHBondContact O-CB 3.35Å; D370-H373 PolarHBondContact O-N 3.02Å; H373-L375 VanDerWaalsContact C-N 3.32Å; H373-L375 PolarHBondContact O-N 2.97Å; H373-C376 WeakPolarHBondContact O-CB 3.41Å; H373-C376 PolarHBondContact O-N 3.19Å; H373-C376 VanDerWaalsContact O-N 3.11Å; H373-E377 PolarHBondContact O-N 2.93Å
374N47.7Very low54.3Low81 Ų81107.6 Ų107.643%0.43356%0.56SS.*Hα-helixtrans-67.3-30.2178.9-71.1-13000113.2C376 A378N374-C376 VanDerWaalsContact C-N 3.33Å; N374-A378 WeakPolarHBondContact O-CB 3.34Å; N374-A378 PolarHBondContact O-N 2.73Å; N374-A378 VanDerWaalsContact O-N 3.09Å
375L41Very low52.5Low108 Ų108109.5 Ų109.557%0.56557%0.57SS**Hα-helixtrans-63.8-40.1172.3-92151.9000110.8H373 L379H373-L375 VanDerWaalsContact C-N 3.32Å; H373-L375 PolarHBondContact O-N 2.97Å; L375-L379 VanDerWaalsContact O-CB 3.26Å; L375-L379 WeakPolarHBondContact O-CB 3.4Å; L375-L379 VanDerWaalsContact O-CD1 3.25Å; L375-L379 WeakPolarHBondContact O-CD1 2.99Å; L375-L379 WeakPolarHBondContact O-CG 3.4Å; L375-L379 PolarHBondContact O-N 3.38Å; L375-L379 VanDerWaalsContact O-N 3.11Å
376C36.6Very low50.8Low73 Ų73112.9 Ų112.949%0.49359%0.589SS.*Hα-helixtrans-67.9-43.3177.4-85.10000112.9N372 H373 N374 L379 Q380N372-C376 PolarHBondContact O-N 2.89Å; H373-C376 WeakPolarHBondContact O-CB 3.41Å; H373-C376 PolarHBondContact O-N 3.19Å; H373-C376 VanDerWaalsContact O-N 3.11Å; N374-C376 VanDerWaalsContact C-N 3.33Å; C376-L379 PolarHBondContact O-N 2.94Å; C376-Q380 VanDerWaalsContact O-CG 3.27Å; C376-Q380 WeakPolarHBondContact O-CG 3.43Å; C376-Q380 PolarHBondContact O-N 2.94Å
377E43.3Very low49.2Very low87 Ų87113.4 Ų113.441%0.40758%0.581SS.*Hα-helixtrans-68.9-41.1179.3-71.3-163.4152.500113H373 L379 Q380 R381H373-E377 PolarHBondContact O-N 2.93Å; E377-L379 VanDerWaalsContact C-N 3.29Å; E377-L379 PolarHBondContact O-N 3.33Å; E377-Q380 PolarHBondContact O-N 3.04Å; E377-Q380 VanDerWaalsContact O-N 3.14Å; E377-R381 PolarHBondContact O-N 3.25Å
378A41.5Very low47.5Very low55 Ų55111 Ų11146%0.45557%0.572SS.*Hα-helixtrans-64.7-34.4175.400000112.2N374 Q380 N382N374-A378 WeakPolarHBondContact O-CB 3.34Å; N374-A378 PolarHBondContact O-N 2.73Å; N374-A378 VanDerWaalsContact O-N 3.09Å; A378-Q380 VanDerWaalsContact C-N 3.35Å; A378-N382 PolarHBondContact O-N 2.7Å
379L39.1Very low46Very low104 Ų104111.4 Ų111.455%0.54558%0.577SS.*Hα-helixtrans-72.3-26.6173.3-74.7168.5000113L375 C376 E377L375-L379 VanDerWaalsContact O-CB 3.26Å; L375-L379 WeakPolarHBondContact O-CB 3.4Å; L375-L379 VanDerWaalsContact O-CD1 3.25Å; L375-L379 WeakPolarHBondContact O-CD1 2.99Å; L375-L379 WeakPolarHBondContact O-CG 3.4Å; L375-L379 PolarHBondContact O-N 3.38Å; L375-L379 VanDerWaalsContact O-N 3.11Å; C376-L379 PolarHBondContact O-N 2.94Å; E377-L379 VanDerWaalsContact C-N 3.29Å; E377-L379 PolarHBondContact O-N 3.33Å
380Q41.5Very low44.7Very low130 Ų130116.4 Ų116.461%0.60760%0.6SS**Hα-helixtrans-79.2-37.4175-75.3175.92.100112C376 E377 A378 N382 K383C376-Q380 VanDerWaalsContact O-CG 3.27Å; C376-Q380 WeakPolarHBondContact O-CG 3.43Å; C376-Q380 PolarHBondContact O-N 2.94Å; E377-Q380 PolarHBondContact O-N 3.04Å; E377-Q380 VanDerWaalsContact O-N 3.14Å; A378-Q380 VanDerWaalsContact C-N 3.35Å; Q380-N382 VanDerWaalsContact C-N 3.31Å; Q380-N382 PolarHBondContact O-N 3.41Å; Q380-K383 PolarHBondContact O-N 2.93Å
381R46.4Very low43.5Very low177 Ų177117.9 Ų117.967%0.66861%0.607SS**Hα-helixtrans-67.3-26.5175.6-73.8-176.7-177.2178.43.9114E377 K383E377-R381 PolarHBondContact O-N 3.25Å; R381-K383 VanDerWaalsContact C-N 3.27Å; R381-K383 PolarHBondContact O-N 3.31Å
382N42.1Very low42.5Very low144 Ų144119.7 Ų119.777%0.7761%0.606SS**THydrogen-bonded Turntrans-81.40.2174.7-85.8-31.6000114.2A378 Q380A378-N382 PolarHBondContact O-N 2.7Å; Q380-N382 VanDerWaalsContact C-N 3.31Å; Q380-N382 PolarHBondContact O-N 3.41Å
383K37.1Very low41.6Very low178 Ų178121 Ų12177%0.77461%0.61SS**THydrogen-bonded Turntrans-107.5-3.6-178.9-76.9-176177.3-177.60114.5Q380 R381Q380-K383 PolarHBondContact O-N 2.93Å; R381-K383 VanDerWaalsContact C-N 3.27Å; R381-K383 PolarHBondContact O-N 3.31Å
384N34.3Very low40.9Very low208 Ų208122.3 Ų122.3100%1.11262%0.621SS**  trans-116.60171.8-67.5-13.7000109.5

Retrieved 384 of 384 residues in 291.5 ms (Link to these results)

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