A0A060W947_ONCMY Loading...

WD repeat-containing protein 74

AlphaFold DB , UniProt , Accession A0A060W947, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene wdr74, Length 379 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
1M60.2Low75.1Confident155 Ų15558.1 Ų58.176%0.76430%0.301SS*.  0-39.10-69.7-174.1-160.300110.7D3 K4 S5M1-D3 PolarHBondContact O-N 2.74Å; M1-K4 WeakPolarHBondContact O-CB 3.46Å; M1-K4 PolarHBondContact O-N 3.39Å; M1-S5 PolarHBondContact O-N 3.43Å; M1-S5 VanDerWaalsContact O-N 3.17Å; M1-S5 PolarHBondContact O-OG 2.8Å
2A60.3Low76.7Confident29 Ų2953.3 Ų53.324%0.2428%0.276CS..Hα-helixtrans-42.1-56.1170.300000115.4K4 S5 Q6 E72 K73A2-K4 PolarHBondContact O-N 3.15Å; A2-S5 WeakPolarHBondContact CA-OG 3.4Å; A2-S5 PolarHBondContact O-N 3.04Å; A2-S5 VanDerWaalsContact O-N 3.09Å; A2-S5 PolarHBondContact O-OG 3.3Å; A2-Q6 WeakPolarHBondContact O-CG 3.45Å; A2-Q6 PolarHBondContact O-N 3.04Å; A2-E72 WeakPolarHBondContact CA-O 3.37Å; A2-E72 VanDerWaalsContact CB-O 3.23Å; A2-E72 WeakPolarHBondContact CB-O 3.27Å; A2-K73 PolarHBondContact N-O 3.04Å
3D64Low78.1Confident129 Ų12949.2 Ų49.269%0.6926%0.255SS*.Hα-helixtrans-61.6-22-179.3-58.70.2000114M1 V7M1-D3 PolarHBondContact O-N 2.74Å; D3-V7 VanDerWaalsContact O-CG2 3.28Å; D3-V7 WeakPolarHBondContact O-CG2 3.4Å
4K72Confident79.1Confident117 Ų11745.7 Ų45.751%0.50924%0.237SC..Hα-helixtrans-83.4-39.6177.4-65.3178.7175.8-177.30111M1 A2 C8 F30 F32M1-K4 WeakPolarHBondContact O-CB 3.46Å; M1-K4 PolarHBondContact O-N 3.39Å; A2-K4 PolarHBondContact O-N 3.15Å; K4-C8 PolarHBondContact O-SG 3.08Å; K4-F30 HydrophobicContact CB-CD1 4.14Å; K4-F30 HydrophobicContact CB-CD2 4.22Å; K4-F30 HydrophobicContact CB-CE1 4.29Å; K4-F30 HydrophobicContact CB-CE2 4.36Å; K4-F30 HydrophobicContact CB-CG 4.09Å; K4-F30 HydrophobicContact CB-CZ 4.4Å; K4-F30 HydrophobicContact CD-CD1 3.69Å; K4-F30 HydrophobicContact CD-CE1 3.87Å; K4-F30 HydrophobicContact CD-CG 4.38Å; K4-F30 HydrophobicContact CG-CD1 4.12Å; K4-F30 HydrophobicContact CG-CE1 4Å; K4-F30 HydrophobicContact CG-CZ 4.35Å; K4-F32 HydrophobicContact CB-CZ 4.44Å
5S65.9Low79.9Confident2 Ų244.9 Ų44.91%0.01423%0.232CC..Hα-helixtrans-72.3-34.1-179.2520000112.5M1 A2 V7 C8 T71 G74M1-S5 PolarHBondContact O-N 3.43Å; M1-S5 VanDerWaalsContact O-N 3.17Å; M1-S5 PolarHBondContact O-OG 2.8Å; A2-S5 WeakPolarHBondContact CA-OG 3.4Å; A2-S5 PolarHBondContact O-N 3.04Å; A2-S5 VanDerWaalsContact O-N 3.09Å; A2-S5 PolarHBondContact O-OG 3.3Å; S5-V7 PolarHBondContact O-N 2.95Å; S5-C8 WeakPolarHBondContact O-CB 3.37Å; S5-C8 PolarHBondContact O-N 3.47Å; S5-C8 VanDerWaalsContact O-N 3.14Å; S5-T71 CarbonylContact C-O 3.32Å; S5-T71 WeakPolarHBondContact CB-O 3.44Å; S5-T71 PolarHBondContact OG-O 3.41Å; S5-G74 VanDerWaalsContact OG-CA 3.23Å; S5-G74 WeakPolarHBondContact OG-CA 3.41Å; S5-G74 PolarHBondContact OG-N 3.09Å
6Q69.2Low80.4Confident127 Ų12745.1 Ų45.159%0.59324%0.236SC*.THydrogen-bonded Turntrans-65-22.7177.7-70.9-179.1-1.800114.1A2A2-Q6 WeakPolarHBondContact O-CG 3.45Å; A2-Q6 PolarHBondContact O-N 3.04Å
7V76Confident80.8Confident44 Ų4443.1 Ų43.127%0.26723%0.228SC..THydrogen-bonded Turntrans-97.61.1-179.8-161.10000111.4D3 S5 S23 K26D3-V7 VanDerWaalsContact O-CG2 3.28Å; D3-V7 WeakPolarHBondContact O-CG2 3.4Å; S5-V7 PolarHBondContact O-N 2.95Å; V7-S23 WeakPolarHBondContact CG1-OG 3.41Å; V7-S23 WeakPolarHBondContact O-CA 3.35Å; V7-S23 WeakPolarHBondContact O-CB 3.15Å; V7-S23 PolarHBondContact O-OG 3.38Å; V7-K26 HydrophobicContact CG1-CD 4.22Å
8C84.3Confident81.3Confident10 Ų1041.4 Ų41.47%0.06822%0.219CC..  trans-81.8126.1178.6-68.80000110.7K4 S5 W11 G21K4-C8 PolarHBondContact O-SG 3.08Å; S5-C8 WeakPolarHBondContact O-CB 3.37Å; S5-C8 PolarHBondContact O-N 3.47Å; S5-C8 VanDerWaalsContact O-N 3.14Å; C8-W11 HydrophobicContact CB-CH2 3.99Å; C8-W11 HydrophobicContact CB-CZ2 3.61Å; C8-G21 VanDerWaalsContact SG-C 3.56Å
9S87.5Confident81.9Confident23 Ų2339.3 Ų39.316%0.16121%0.208CC..  trans-101.6-22177.9-41.60000112.1V22 S314S9-V22 PolarHBondContact N-O 3.47Å; S9-S314 WeakPolarHBondContact O-CB 3.14Å; S9-S314 PolarHBondContact O-N 2.86Å
10V92.4Very high82.4Confident0 Ų037.9 Ų37.90%020%0.2CC..EExtended strand (participates in β ladder)trans-129.7132.8-178.7-164.30000110.3V12 G21 V22 L24 L288 V311 L312 L313V10-V12 HydrophobicContact CG1-CG2 4.14Å; V10-G21 CarbonylContact O-C 3.6Å; V10-G21 WeakPolarHBondContact O-CA 3.41Å; V10-V22 HydrophobicContact CB-CB 4.28Å; V10-V22 PolarHBondContact N-O 2.85Å; V10-V22 VanDerWaalsContact N-O 3.1Å; V10-V22 PolarHBondContact O-N 2.78Å; V10-L24 HydrophobicContact CG2-CD1 3.58Å; V10-L24 HydrophobicContact CG2-CD2 4.14Å; V10-L24 HydrophobicContact CG2-CG 3.84Å; V10-L288 HydrophobicContact CB-CD2 3.96Å; V10-L288 HydrophobicContact CG1-CD1 4.08Å; V10-L288 HydrophobicContact CG1-CD2 3.79Å; V10-L288 HydrophobicContact CG2-CD2 4.19Å; V10-V311 HydrophobicContact CG1-CG2 3.55Å; V10-L312 CarbonylContact C-O 3.4Å; V10-L312 WeakPolarHBondContact CA-O 3.38Å; V10-L313 HydrophobicContact CB-CD2 4.1Å; V10-L313 HydrophobicContact CG1-CD2 3.88Å; V10-L313 HydrophobicContact CG2-CD2 3.49Å; V10-L313 VanDerWaalsContact CG2-CD2 3.49Å
11W94.3Very high82.9Confident3 Ų336.1 Ų36.11%0.01119%0.191CC..EExtended strand (participates in β ladder)trans-111.1138.5174.2-58.891.5000110C8 L19 K20 F32 W49 V57 F69 T71 V311 L312C8-W11 HydrophobicContact CB-CH2 3.99Å; C8-W11 HydrophobicContact CB-CZ2 3.61Å; W11-L19 HydrophobicContact CE3-CD1 4.35Å; W11-L19 HydrophobicContact CE3-CD2 4.2Å; W11-L19 HydrophobicContact CE3-CG 4.17Å; W11-L19 HydrophobicContact CZ3-CD2 4.39Å; W11-K20 CarbonylContact C-O 3.59Å; W11-K20 WeakPolarHBondContact CA-O 3.43Å; W11-F32 HydrophobicContact CH2-CD2 4.33Å; W11-F32 AromaticContact CH2-CE2 3.84Å; W11-F32 HydrophobicContact CH2-CE2 3.84Å; W11-F32 HydrophobicContact CH2-CZ 4.12Å; W11-F32 AromaticContact CZ3-CD2 3.62Å; W11-F32 HydrophobicContact CZ3-CD2 3.62Å; W11-F32 AromaticContact CZ3-CE2 3.49Å; W11-F32 HydrophobicContact CZ3-CE2 3.49Å; W11-F32 VanDerWaalsContact CZ3-CE2 3.49Å; W11-F32 HydrophobicContact CZ3-CG 4.43Å; W11-F32 HydrophobicContact CZ3-CZ 4.21Å; W11-W49 AromaticContact CD1-CH2 3.48Å; W11-W49 VanDerWaalsContact CD1-CH2 3.48Å; W11-W49 AromaticContact NE1-CH2 3.56Å; W11-V57 HydrophobicContact CD2-CG2 4.25Å; W11-V57 HydrophobicContact CG-CG2 4.18Å; W11-F69 HydrophobicContact CE3-CE1 4.43Å; W11-F69 HydrophobicContact CH2-CD1 4.24Å; W11-F69 AromaticContact CH2-CE1 3.42Å; W11-F69 HydrophobicContact CH2-CE1 3.42Å; W11-F69 VanDerWaalsContact CH2-CE1 3.42Å; W11-F69 HydrophobicContact CH2-CZ 4.18Å; W11-F69 HydrophobicContact CZ2-CE1 4.32Å; W11-F69 HydrophobicContact CZ3-CD1 4.08Å; W11-F69 AromaticContact CZ3-CE1 3.46Å; W11-F69 HydrophobicContact CZ3-CE1 3.46Å; W11-F69 VanDerWaalsContact CZ3-CE1 3.46Å; W11-F69 HydrophobicContact CZ3-CZ 4.1Å; W11-T71 HydrophobicContact CZ2-CG2 3.8Å; W11-V311 CarbonylContact O-C 3.22Å; W11-V311 WeakPolarHBondContact O-CA 3.37Å; W11-L312 HydrophobicContact CB-CB 4.19Å; W11-L312 PolarHBondContact N-O 3.08Å; W11-L312 PolarHBondContact O-N 3.46Å
12V94.6Very high84.4Confident0 Ų028.7 Ų28.70%015%0.154CC..EExtended strand (participates in β ladder)trans-138.6132-173.8-167.70000110.1V10 K20 C282 L288 L304 L308 C310 V311V10-V12 HydrophobicContact CG1-CG2 4.14Å; V12-K20 PolarHBondContact N-O 2.98Å; V12-K20 PolarHBondContact O-N 3.48Å; V12-C282 HydrophobicContact CG1-CB 4.45Å; V12-L288 HydrophobicContact CG2-CD1 4.16Å; V12-L288 HydrophobicContact CG2-CD2 4.23Å; V12-L304 HydrophobicContact CB-CD1 4.23Å; V12-L304 HydrophobicContact CG1-CD1 4.26Å; V12-L304 HydrophobicContact CG2-CD1 4.07Å; V12-L308 HydrophobicContact CG1-CB 3.82Å; V12-L308 HydrophobicContact CG1-CD1 3.98Å; V12-L308 HydrophobicContact CG1-CD2 3.65Å; V12-L308 HydrophobicContact CG1-CG 3.97Å; V12-C310 WeakPolarHBondContact CA-O 3.05Å; V12-C310 VanDerWaalsContact CG1-O 3.27Å; V12-C310 WeakPolarHBondContact CG1-O 3.1Å; V12-V311 HydrophobicContact CG2-CG2 4.41Å
13G94Very high85.8Confident0 Ų027.3 Ų27.30%014%0.143CC..EExtended strand (participates in β ladder)trans-98.6135175.400000111.6N309 C310G13-N309 PolarHBondContact O-N 2.86Å; G13-C310 PolarHBondContact N-O 3.33Å; G13-C310 VanDerWaalsContact N-O 3.11Å
14S92.7Very high86.8Confident1 Ų121.5 Ų21.51%0.00711%0.112CC..EExtended strand (participates in β ladder)trans-101.3161.8176.780.40000113.7T16 G17 I18 V44 R307S14-T16 PolarHBondContact O-N 2.79Å; S14-T16 VanDerWaalsContact O-N 3.17Å; S14-T16 PolarHBondContact OG-N 3.24Å; S14-T16 PolarHBondContact OG-OG1 2.84Å; S14-G17 PolarHBondContact O-N 3.39Å; S14-I18 PolarHBondContact N-O 3.48Å; S14-I18 VanDerWaalsContact OG-CB 3.31Å; S14-I18 WeakPolarHBondContact OG-CB 3.31Å; S14-I18 PolarHBondContact OG-N 3.03Å; S14-I18 PolarHBondContact OG-O 2.88Å; S14-V44 PolarHBondContact O-N 2.81Å; S14-V44 VanDerWaalsContact O-N 3.11Å; S14-R307 WeakPolarHBondContact CA-O 3.28Å; S14-R307 WeakPolarHBondContact CB-O 3.29Å
15E90.8Very high87.3Confident34 Ų3418.8 Ų18.816%0.15911%0.107CC..THydrogen-bonded Turntrans-61.1-18.3171.7-167.6-179.514600113.2E43 R268 R307E15-E43 WeakPolarHBondContact O-CB 3.35Å; E15-R268 IonicContact OE2-NH1 3.35Å; E15-R307 HydrophobicContact CB-CB 4.26Å; E15-R307 PolarHBondContact N-O 3.3Å; E15-R307 VanDerWaalsContact N-O 3.15Å; E15-R307 IonicContact OE1-NH1 3.84Å; E15-R307 WeakPolarHBondContact OE2-CB 3.18Å; E15-R307 WeakPolarHBondContact OE2-CD 3.46Å; E15-R307 IonicContact OE2-NH1 3.85Å
16T88.4Confident88Confident48 Ų4824.3 Ų24.329%0.29413%0.131SC..THydrogen-bonded Turntrans-100.111.8-178.460.90000113S14 I18 S39S14-T16 PolarHBondContact O-N 2.79Å; S14-T16 VanDerWaalsContact O-N 3.17Å; S14-T16 PolarHBondContact OG-N 3.24Å; S14-T16 PolarHBondContact OG-OG1 2.84Å; T16-I18 WeakPolarHBondContact OG1-CD1 3.46Å; T16-I18 WeakPolarHBondContact OG1-CG1 3.23Å; T16-S39 CarbonylContact C-O 3.58Å
17G86.4Confident88.6Confident10 Ų1025 Ų2510%0.10313%0.132CC..SBendtrans81.19.3-179.600000115.4S14 Q42S14-G17 PolarHBondContact O-N 3.39Å; G17-Q42 WeakPolarHBondContact CA-O 3.32Å
18I90.6Very high89.1Confident13 Ų1328 Ų287%0.06714%0.143CC..  trans-83.9126.7-179.1-54.7168.9000109.4S14 T16 K20 N31 L38S14-I18 PolarHBondContact N-O 3.48Å; S14-I18 VanDerWaalsContact OG-CB 3.31Å; S14-I18 WeakPolarHBondContact OG-CB 3.31Å; S14-I18 PolarHBondContact OG-N 3.03Å; S14-I18 PolarHBondContact OG-O 2.88Å; T16-I18 WeakPolarHBondContact OG1-CD1 3.46Å; T16-I18 WeakPolarHBondContact OG1-CG1 3.23Å; I18-K20 HydrophobicContact CB-CG 4.49Å; I18-K20 HydrophobicContact CG2-CD 4.37Å; I18-K20 HydrophobicContact CG2-CG 3.66Å; I18-N31 HydrophobicContact CG2-CB 4.24Å; I18-L38 HydrophobicContact CD1-CD1 4.05Å; I18-L38 HydrophobicContact CD1-CD2 3.87Å; I18-L38 HydrophobicContact CG1-CD1 4.41Å; I18-L38 HydrophobicContact CG1-CD2 3.29Å; I18-L38 HydrophobicContact CG1-CG 4.48Å
19L92.9Very high89.2Confident1 Ų129.5 Ų29.51%0.00516%0.157CC..EExtended strand (participates in β ladder)trans-86.2123159.7-175.867.6000109.7W11 F32 L47 V59 F69 F76W11-L19 HydrophobicContact CE3-CD1 4.35Å; W11-L19 HydrophobicContact CE3-CD2 4.2Å; W11-L19 HydrophobicContact CE3-CG 4.17Å; W11-L19 HydrophobicContact CZ3-CD2 4.39Å; L19-F32 PolarHBondContact O-N 3.47Å; L19-F32 VanDerWaalsContact O-N 3.08Å; L19-L47 HydrophobicContact CD1-CD1 4.38Å; L19-L47 HydrophobicContact CD1-CD2 3.87Å; L19-V59 HydrophobicContact CD1-CG2 4.15Å; L19-V59 HydrophobicContact CD2-CG2 4.01Å; L19-F69 HydrophobicContact CD2-CB 3.88Å; L19-F69 HydrophobicContact CD2-CD1 3.82Å; L19-F69 HydrophobicContact CD2-CD2 3.99Å; L19-F69 HydrophobicContact CD2-CE1 4.38Å; L19-F69 HydrophobicContact CD2-CG 3.59Å; L19-F76 HydrophobicContact CB-CZ 4.14Å; L19-F76 HydrophobicContact CD2-CE1 4.31Å; L19-F76 HydrophobicContact CD2-CZ 4.11Å
20K92.4Very high89.3Confident12 Ų1229.8 Ų29.85%0.05216%0.155CC..EExtended strand (participates in β ladder)trans-115134.1176.3-57.4-170.7174.9-178.80110W11 V12 I18 F30 N31 L304 S306W11-K20 CarbonylContact C-O 3.59Å; W11-K20 WeakPolarHBondContact CA-O 3.43Å; V12-K20 PolarHBondContact N-O 2.98Å; V12-K20 PolarHBondContact O-N 3.48Å; I18-K20 HydrophobicContact CB-CG 4.49Å; I18-K20 HydrophobicContact CG2-CD 4.37Å; I18-K20 HydrophobicContact CG2-CG 3.66Å; K20-F30 CarbonylContact C-O 3.43Å; K20-F30 VanDerWaalsContact CA-O 3.24Å; K20-F30 WeakPolarHBondContact CA-O 3.36Å; K20-N31 WeakPolarHBondContact CD-OD1 3.23Å; K20-N31 WeakPolarHBondContact CE-OD1 3.41Å; K20-N31 WeakPolarHBondContact CG-OD1 3.33Å; K20-L304 HydrophobicContact CD-CB 4.28Å; K20-L304 HydrophobicContact CD-CD2 4.4Å; K20-L304 PolarHBondContact NZ-O 3.22Å; K20-S306 PolarHBondContact NZ-OG 3.06Å
21G91.9Very high89.2Confident0 Ų034.2 Ų34.20%018%0.179CC..EExtended strand (participates in β ladder)trans-105.2136.5166.800000109.6C8 V10 A29 F30C8-G21 VanDerWaalsContact SG-C 3.56Å; V10-G21 CarbonylContact O-C 3.6Å; V10-G21 WeakPolarHBondContact O-CA 3.41Å; G21-A29 CarbonylContact O-C 3.55Å; G21-A29 WeakPolarHBondContact O-CA 3.2Å; G21-F30 PolarHBondContact N-O 3.34Å; G21-F30 PolarHBondContact O-N 2.69Å
22V91.1Very high88.7Confident0 Ų034.9 Ų34.90%018%0.182CC..EExtended strand (participates in β ladder)trans-118.4125.1178.9-175.10000108.5S9 V10 Q28 A29 L288 V302 L304S9-V22 PolarHBondContact N-O 3.47Å; V10-V22 HydrophobicContact CB-CB 4.28Å; V10-V22 PolarHBondContact N-O 2.85Å; V10-V22 VanDerWaalsContact N-O 3.1Å; V10-V22 PolarHBondContact O-N 2.78Å; V22-Q28 WeakPolarHBondContact CA-O 3.42Å; V22-A29 HydrophobicContact CG2-CB 4.13Å; V22-L288 HydrophobicContact CB-CD2 3.93Å; V22-L288 HydrophobicContact CG1-CD2 4.03Å; V22-L288 HydrophobicContact CG2-CD2 3.79Å; V22-V302 HydrophobicContact CG1-CB 4.44Å; V22-V302 HydrophobicContact CG1-CG1 4.18Å; V22-V302 HydrophobicContact CG1-CG2 4.12Å; V22-L304 HydrophobicContact CG2-CD1 4.19Å; V22-L304 HydrophobicContact CG2-CD2 3.86Å
23S89.6Confident88Confident0 Ų036.1 Ų36.10%019%0.19CC..EExtended strand (participates in β ladder)trans-90.8116.8170.1179.30000108.8V7 S25 K26 K27 Q28V7-S23 WeakPolarHBondContact CG1-OG 3.41Å; V7-S23 WeakPolarHBondContact O-CA 3.35Å; V7-S23 WeakPolarHBondContact O-CB 3.15Å; V7-S23 PolarHBondContact O-OG 3.38Å; S23-S25 PolarHBondContact OG-OG 3.24Å; S23-K26 PolarHBondContact OG-N 3.49Å; S23-K27 VanDerWaalsContact O-CA 3.28Å; S23-K27 WeakPolarHBondContact O-CA 3.44Å; S23-K27 PolarHBondContact O-N 3.3Å; S23-Q28 PolarHBondContact N-O 2.99Å; S23-Q28 PolarHBondContact O-N 3.48Å
24L85.4Confident86.9Confident6 Ų642.9 Ų42.93%0.03122%0.222CC..THydrogen-bonded Turntrans-76-33-178.7-68.5171.3000112.1V10 K27 V290 H300 L318V10-L24 HydrophobicContact CG2-CD1 3.58Å; V10-L24 HydrophobicContact CG2-CD2 4.14Å; V10-L24 HydrophobicContact CG2-CG 3.84Å; L24-K27 PolarHBondContact O-N 3.37Å; L24-V290 HydrophobicContact CD1-CG2 4.22Å; L24-V290 HydrophobicContact CD2-CG2 3.86Å; L24-H300 HydrophobicContact CD2-CB 3.97Å; L24-H300 PolarHBondContact O-CE1 3.19Å; L24-L318 HydrophobicContact CD1-CD2 3.21Å; L24-L318 HydrophobicContact CD1-CG 4.33Å
25S82.8Confident85.8Confident60 Ų6050.1 Ų50.142%0.4226%0.257SS..THydrogen-bonded Turntrans-64.3-46.2174.856.30000111.9S23S23-S25 PolarHBondContact OG-OG 3.24Å
26K80.8Confident84.6Confident119 Ų11953.3 Ų53.352%0.51728%0.283SS..THydrogen-bonded Turntrans-85.3-9.1178.8-63.8-177.8178.3175.20113.7V7 S23 Q28V7-K26 HydrophobicContact CG1-CD 4.22Å; S23-K26 PolarHBondContact OG-N 3.49Å; K26-Q28 HydrophobicContact CB-CB 4.3Å; K26-Q28 HydrophobicContact CB-CG 4.43Å; K26-Q28 WeakPolarHBondContact O-CG 3.38Å; K26-Q28 PolarHBondContact O-N 2.57Å; K26-Q28 VanDerWaalsContact O-N 3.13Å
27K81.8Confident83.3Confident142 Ų14253.9 Ų53.962%0.61729%0.289SS*.THydrogen-bonded Turntrans49.832.7-171.3-58.4-178.9-177.8177.10113.1S23 L24S23-K27 VanDerWaalsContact O-CA 3.28Å; S23-K27 WeakPolarHBondContact O-CA 3.44Å; S23-K27 PolarHBondContact O-N 3.3Å; L24-K27 PolarHBondContact O-N 3.37Å
28Q85.6Confident82.9Confident105 Ų10556 Ų5649%0.49130%0.297SS..EExtended strand (participates in β ladder)trans-114.4147.4-177.4-78.1-179.58.200111.2V22 S23 K26 F30V22-Q28 WeakPolarHBondContact CA-O 3.42Å; S23-Q28 PolarHBondContact N-O 2.99Å; S23-Q28 PolarHBondContact O-N 3.48Å; K26-Q28 HydrophobicContact CB-CB 4.3Å; K26-Q28 HydrophobicContact CB-CG 4.43Å; K26-Q28 WeakPolarHBondContact O-CG 3.38Å; K26-Q28 PolarHBondContact O-N 2.57Å; K26-Q28 VanDerWaalsContact O-N 3.13Å; Q28-F30 HydrophobicContact CB-CE1 4.49Å; Q28-F30 HydrophobicContact CB-CE2 4.35Å; Q28-F30 HydrophobicContact CB-CZ 3.98Å
29A87.7Confident82.5Confident43 Ų4357.1 Ų57.136%0.35531%0.306SS..EExtended strand (participates in β ladder)trans-113.7137175.300000110.7G21 V22 V302 L304G21-A29 CarbonylContact O-C 3.55Å; G21-A29 WeakPolarHBondContact O-CA 3.2Å; V22-A29 HydrophobicContact CG2-CB 4.13Å; A29-V302 HydrophobicContact CB-CG1 4.4Å; A29-L304 HydrophobicContact CB-CD2 3.3Å
30F88.9Confident82Confident28 Ų2865.3 Ų65.312%0.12334%0.337CS..EExtended strand (participates in β ladder)trans-119.3138.4179.4-53.6-71.3000109.6K4 K20 G21 Q28 F32K4-F30 HydrophobicContact CB-CD1 4.14Å; K4-F30 HydrophobicContact CB-CD2 4.22Å; K4-F30 HydrophobicContact CB-CE1 4.29Å; K4-F30 HydrophobicContact CB-CE2 4.36Å; K4-F30 HydrophobicContact CB-CG 4.09Å; K4-F30 HydrophobicContact CB-CZ 4.4Å; K4-F30 HydrophobicContact CD-CD1 3.69Å; K4-F30 HydrophobicContact CD-CE1 3.87Å; K4-F30 HydrophobicContact CD-CG 4.38Å; K4-F30 HydrophobicContact CG-CD1 4.12Å; K4-F30 HydrophobicContact CG-CE1 4Å; K4-F30 HydrophobicContact CG-CZ 4.35Å; K20-F30 CarbonylContact C-O 3.43Å; K20-F30 VanDerWaalsContact CA-O 3.24Å; K20-F30 WeakPolarHBondContact CA-O 3.36Å; G21-F30 PolarHBondContact N-O 3.34Å; G21-F30 PolarHBondContact O-N 2.69Å; Q28-F30 HydrophobicContact CB-CE1 4.49Å; Q28-F30 HydrophobicContact CB-CE2 4.35Å; Q28-F30 HydrophobicContact CB-CZ 3.98Å; F30-F32 HydrophobicContact CB-CD2 4.47Å; F30-F32 HydrophobicContact CB-CE2 3.69Å; F30-F32 HydrophobicContact CB-CZ 3.76Å
31N89.6Confident81.7Confident93 Ų9370.3 Ų70.350%0.49736%0.364SS..EExtended strand (participates in β ladder)trans-99.7132.8172.7-59.2-31.2000108.2I18 K20I18-N31 HydrophobicContact CG2-CB 4.24Å; K20-N31 WeakPolarHBondContact CD-OD1 3.23Å; K20-N31 WeakPolarHBondContact CE-OD1 3.41Å; K20-N31 WeakPolarHBondContact CG-OD1 3.33Å
32F84.6Confident81.4Confident17 Ų1772.6 Ų72.68%0.07538%0.375CS..  trans-111.22.6-177.5-66.7-81.6000113.7K4 W11 L19 F30 F69 F76K4-F32 HydrophobicContact CB-CZ 4.44Å; W11-F32 HydrophobicContact CH2-CD2 4.33Å; W11-F32 AromaticContact CH2-CE2 3.84Å; W11-F32 HydrophobicContact CH2-CE2 3.84Å; W11-F32 HydrophobicContact CH2-CZ 4.12Å; W11-F32 AromaticContact CZ3-CD2 3.62Å; W11-F32 HydrophobicContact CZ3-CD2 3.62Å; W11-F32 AromaticContact CZ3-CE2 3.49Å; W11-F32 HydrophobicContact CZ3-CE2 3.49Å; W11-F32 VanDerWaalsContact CZ3-CE2 3.49Å; W11-F32 HydrophobicContact CZ3-CG 4.43Å; W11-F32 HydrophobicContact CZ3-CZ 4.21Å; L19-F32 PolarHBondContact O-N 3.47Å; L19-F32 VanDerWaalsContact O-N 3.08Å; F30-F32 HydrophobicContact CB-CD2 4.47Å; F30-F32 HydrophobicContact CB-CE2 3.69Å; F30-F32 HydrophobicContact CB-CZ 3.76Å; F32-F69 HydrophobicContact CB-CE2 3.62Å; F32-F69 HydrophobicContact CB-CZ 3.84Å; F32-F69 AromaticContact CD1-CE2 3.98Å; F32-F69 HydrophobicContact CD1-CE2 3.98Å; F32-F69 AromaticContact CD1-CZ 3.51Å; F32-F69 HydrophobicContact CD1-CZ 3.51Å; F32-F69 HydrophobicContact CD2-CZ 4.22Å; F32-F69 HydrophobicContact CE1-CZ 4.08Å; F32-F69 AromaticContact CG-CE2 3.92Å; F32-F69 HydrophobicContact CG-CE2 3.92Å; F32-F69 AromaticContact CG-CZ 3.58Å; F32-F69 HydrophobicContact CG-CZ 3.58Å; F32-F76 WeakPolarHBondContact O-CE2 3.23Å
33C79.9Confident81.4Confident26 Ų2674.4 Ų74.418%0.17638%0.384CS..SBendtrans-106142.9175.3-161.60000110.4
34E71.7Confident81.6Confident142 Ų14274.4 Ų74.466%0.66438%0.384SS*.  trans-65.7135.4173.8-67.7-173.6173.400110.9S36 C37E34-S36 PolarHBondContact O-N 2.88Å; E34-C37 PolarHBondContact O-N 2.84Å
35M69.8Low82Confident154 Ų15474.4 Ų74.476%0.75938%0.384SS*.G310 helixtrans-66-19.5-176.1-163.882.4-173.600112.8L38M35-L38 HydrophobicContact CB-CD1 4.42Å; M35-L38 HydrophobicContact CE-CD1 3.73Å; M35-L38 HydrophobicContact CG-CD1 3.88Å; M35-L38 WeakPolarHBondContact O-CD1 3.43Å; M35-L38 VanDerWaalsContact O-CG 3.3Å; M35-L38 WeakPolarHBondContact O-CG 3.37Å; M35-L38 HydrophobicContact SD-CD1 3.4Å; M35-L38 WeakPolarHBondContact SD-CD1 3.39Å
36S64.6Low82.5Confident100 Ų10071.7 Ų71.770%0.69937%0.365SS*.G310 helixtrans-72.8-24.5178.344.40000113.6E34E34-S36 PolarHBondContact O-N 2.88Å
37C62.3Low83.2Confident61 Ų6166.9 Ų66.941%0.41235%0.345SS..G310 helixtrans-98.115.2-175.5-61.80000113.7E34 S39E34-C37 PolarHBondContact O-N 2.84Å; C37-S39 PolarHBondContact O-N 3.23Å
38L77.5Confident83.8Confident53 Ų5360.6 Ų60.628%0.27732%0.32SS..  trans-79.6109.5-174.8-59.5-178.6000111.3I18 M35I18-L38 HydrophobicContact CD1-CD1 4.05Å; I18-L38 HydrophobicContact CD1-CD2 3.87Å; I18-L38 HydrophobicContact CG1-CD1 4.41Å; I18-L38 HydrophobicContact CG1-CD2 3.29Å; I18-L38 HydrophobicContact CG1-CG 4.48Å; M35-L38 HydrophobicContact CB-CD1 4.42Å; M35-L38 HydrophobicContact CE-CD1 3.73Å; M35-L38 HydrophobicContact CG-CD1 3.88Å; M35-L38 WeakPolarHBondContact O-CD1 3.43Å; M35-L38 VanDerWaalsContact O-CG 3.3Å; M35-L38 WeakPolarHBondContact O-CG 3.37Å; M35-L38 HydrophobicContact SD-CD1 3.4Å; M35-L38 WeakPolarHBondContact SD-CD1 3.39Å
39S81.7Confident84.1Confident37 Ų3757.8 Ų57.826%0.25931%0.305SS..  trans-138.2157.2168.777.40000110.9T16 C37 D41 Q42T16-S39 CarbonylContact C-O 3.58Å; C37-S39 PolarHBondContact O-N 3.23Å; S39-D41 PolarHBondContact O-N 2.91Å; S39-D41 PolarHBondContact OG-N 3.36Å; S39-Q42 PolarHBondContact O-N 3.43Å
40R83.6Confident84.2Confident174 Ų17456.4 Ų56.466%0.65730%0.295SS*.G310 helixtrans-67.3-21.8172.3-68.4-172.9-178.3175.92.7111.9Q42 E43R40-Q42 PolarHBondContact O-N 3.49Å; R40-E43 VanDerWaalsContact O-CB 3.29Å; R40-E43 WeakPolarHBondContact O-CB 3.29Å; R40-E43 PolarHBondContact O-N 3.17Å; R40-E43 VanDerWaalsContact O-N 3.09Å
41D84.8Confident84.1Confident117 Ų11757 Ų5763%0.62630%0.299SS*.G310 helixtrans-67.5-20176.6-45.9-48.3000112.2S39 N63S39-D41 PolarHBondContact O-N 2.91Å; S39-D41 PolarHBondContact OG-N 3.36Å; D41-N63 WeakPolarHBondContact O-CB 3.45Å; D41-N63 PolarHBondContact O-N 2.98Å
42Q85.9Confident83.8Confident47 Ų4759.2 Ų59.222%0.2231%0.307CS..G310 helixtrans-100.313.9175.1-60.2-167.815.900113.3G17 S39 R40 V44 S61G17-Q42 WeakPolarHBondContact CA-O 3.32Å; S39-Q42 PolarHBondContact O-N 3.43Å; R40-Q42 PolarHBondContact O-N 3.49Å; Q42-V44 PolarHBondContact O-N 2.8Å; Q42-S61 PolarHBondContact O-OG 2.8Å
43E91.6Very high83.8Confident39 Ų3965.3 Ų65.318%0.18234%0.335CS..  trans-41.9127.7178.3164.3174.5-179.300111.8E15 R40 C45 S61 V62 R89 N309E15-E43 WeakPolarHBondContact O-CB 3.35Å; R40-E43 VanDerWaalsContact O-CB 3.29Å; R40-E43 WeakPolarHBondContact O-CB 3.29Å; R40-E43 PolarHBondContact O-N 3.17Å; R40-E43 VanDerWaalsContact O-N 3.09Å; E43-C45 PolarHBondContact O-N 2.88Å; E43-S61 CarbonylContact O-C 3.59Å; E43-S61 VanDerWaalsContact O-CA 3.24Å; E43-S61 WeakPolarHBondContact O-CA 3.4Å; E43-V62 HydrophobicContact CB-CB 4.45Å; E43-V62 HydrophobicContact CB-CG2 3.64Å; E43-V62 HydrophobicContact CG-CG2 3.87Å; E43-V62 PolarHBondContact O-N 2.84Å; E43-R89 IonicContact OE1-NH2 4Å; E43-R89 PolarHBondContact OE1-NH2 2.74Å; E43-R89 VanDerWaalsContact OE1-NH2 3.13Å; E43-N309 WeakPolarHBondContact CG-ND2 3.25Å; E43-N309 PolarHBondContact OE1-ND2 3.44Å
44V93.9Very high84.1Confident0 Ų064.7 Ų64.70%033%0.33CS..EExtended strand (participates in β ladder)trans-77.6116174.3-1740000108.7S14 Q42 L47 V59 N309S14-V44 PolarHBondContact O-N 2.81Å; S14-V44 VanDerWaalsContact O-N 3.11Å; Q42-V44 PolarHBondContact O-N 2.8Å; V44-L47 HydrophobicContact CG1-CD2 3.95Å; V44-L47 HydrophobicContact CG1-CG 4.18Å; V44-V59 HydrophobicContact CB-CG1 4.28Å; V44-V59 HydrophobicContact CG1-CG1 3.61Å; V44-V59 HydrophobicContact CG2-CG1 3.72Å; V44-N309 WeakPolarHBondContact O-CB 3.46Å; V44-N309 PolarHBondContact O-ND2 2.94Å; V44-N309 VanDerWaalsContact O-ND2 3.08Å
45C92.8Very high84.9Confident6 Ų659.6 Ų59.64%0.04131%0.308CS..EExtended strand (participates in β ladder)trans-93.7-43.3179.3-72.10000112.4E43 G60 V62 R89 F90E43-C45 PolarHBondContact O-N 2.88Å; C45-G60 PolarHBondContact N-O 2.8Å; C45-V62 WeakPolarHBondContact SG-CG2 3.32Å; C45-R89 PolarHBondContact SG-NE 3.1Å; C45-R89 VanDerWaalsContact SG-NE 3.42Å; C45-R89 PolarHBondContact SG-NH2 3.21Å; C45-F90 HydrophobicContact CB-CB 4.42Å; C45-F90 WeakPolarHBondContact CB-O 3.36Å
46V94.3Very high86Confident3 Ų355.2 Ų55.22%0.01829%0.286CS..EExtended strand (participates in β ladder)trans-137.8147-173.1-63.10000110.3G60 F90 I93V46-G60 PolarHBondContact N-O 2.95Å; V46-G60 PolarHBondContact O-N 3.23Å; V46-F90 HydrophobicContact CG1-CB 4.37Å; V46-F90 WeakPolarHBondContact CG1-O 3.36Å; V46-F90 HydrophobicContact CG2-CB 3.68Å; V46-F90 HydrophobicContact CG2-CG 4.5Å; V46-I93 HydrophobicContact CB-CG2 4.16Å; V46-I93 HydrophobicContact CG2-CB 3.96Å; V46-I93 HydrophobicContact CG2-CG2 3.82Å
47L95.4Very high87.4Confident17 Ų1750.5 Ų50.59%0.08925%0.253CS..EExtended strand (participates in β ladder)trans-126.2147.2171.1-68.5172.8000108.1L19 V44 V57 L58 V59 C310 L312L19-L47 HydrophobicContact CD1-CD1 4.38Å; L19-L47 HydrophobicContact CD1-CD2 3.87Å; V44-L47 HydrophobicContact CG1-CD2 3.95Å; V44-L47 HydrophobicContact CG1-CG 4.18Å; L47-V57 HydrophobicContact CD2-CG1 4.05Å; L47-L58 WeakPolarHBondContact CA-O 3.39Å; L47-V59 HydrophobicContact CD2-CB 4.2Å; L47-V59 HydrophobicContact CD2-CG1 4.16Å; L47-V59 HydrophobicContact CD2-CG2 3.77Å; L47-C310 HydrophobicContact CD1-CB 4.42Å; L47-C310 HydrophobicContact CG-CB 4.42Å; L47-C310 VanDerWaalsContact CG-SG 3.59Å; L47-L312 HydrophobicContact CB-CB 4.2Å; L47-L312 HydrophobicContact CB-CD2 4.44Å; L47-L312 HydrophobicContact CD1-CB 4.34Å
48G93.1Very high88.9Confident10 Ų1047.8 Ų47.810%0.10323%0.234CC..EExtended strand (participates in β ladder)trans-154156.4171.800000110.3L58G48-L58 PolarHBondContact N-O 2.9Å; G48-L58 PolarHBondContact O-N 2.78Å
49W93.6Very high89.8Confident47 Ų4745.4 Ų45.418%0.17822%0.222CC..EExtended strand (participates in β ladder)trans-72.4136.4169.4-66.1120.8000109.5W11 E54 V57 T71 L312 L313W11-W49 AromaticContact CD1-CH2 3.48Å; W11-W49 VanDerWaalsContact CD1-CH2 3.48Å; W11-W49 AromaticContact NE1-CH2 3.56Å; W49-E54 HydrophobicContact CD2-CB 4Å; W49-E54 HydrophobicContact CD2-CG 3.79Å; W49-E54 HydrophobicContact CE3-CB 3.67Å; W49-E54 HydrophobicContact CE3-CG 4Å; W49-E54 HydrophobicContact CG-CG 4.19Å; W49-E54 HydrophobicContact CH2-CB 3.98Å; W49-E54 HydrophobicContact CH2-CG 4.44Å; W49-E54 HydrophobicContact CZ2-CB 4.3Å; W49-E54 HydrophobicContact CZ2-CG 4.26Å; W49-E54 HydrophobicContact CZ3-CB 3.65Å; W49-E54 HydrophobicContact CZ3-CG 4.31Å; W49-E54 PolarHBondContact NE1-OE1 2.84Å; W49-V57 HydrophobicContact CE3-CG2 3.81Å; W49-V57 HydrophobicContact CH2-CG2 4.01Å; W49-V57 HydrophobicContact CZ3-CG2 3.33Å; W49-T71 HydrophobicContact CZ3-CG2 4.09Å; W49-L312 HydrophobicContact CD2-CD2 3.59Å; W49-L312 HydrophobicContact CD2-CG 4.17Å; W49-L312 VanDerWaalsContact CE2-CD2 3.46Å; W49-L312 HydrophobicContact CE3-CD2 4.02Å; W49-L312 HydrophobicContact CG-CD1 4.34Å; W49-L312 HydrophobicContact CG-CD2 4.05Å; W49-L312 HydrophobicContact CG-CG 4.5Å; W49-L312 HydrophobicContact CH2-CD2 4.18Å; W49-L312 HydrophobicContact CZ2-CD2 3.74Å; W49-L312 HydrophobicContact CZ2-CG 3.78Å; W49-L312 HydrophobicContact CZ3-CD2 4.3Å; W49-L313 WeakPolarHBondContact CZ2-O 3.3Å; W49-L313 PolarHBondContact NE1-O 3.23Å; W49-L313 VanDerWaalsContact NE1-O 3.13Å
50G89.3Confident90.4Very high14 Ų1443.7 Ų43.714%0.14421%0.21CC..SBendtrans-79.8-24.4174.900000112.4E56 V95G50-E56 PolarHBondContact N-O 2.81Å; G50-V95 WeakPolarHBondContact O-CG1 3.45Å
51D86.3Confident90.8Very high39 Ų3935.5 Ų35.521%0.20918%0.18CC..SBendtrans-144.4164-172.967.5-41.9000111.8H53 E54 T55 E56D51-H53 VanDerWaalsContact C-N 3.28Å; D51-H53 PolarHBondContact O-N 2.93Å; D51-H53 WeakPolarHBondContact OD2-CB 3.49Å; D51-H53 PolarHBondContact OD2-N 2.95Å; D51-E54 PolarHBondContact O-N 2.93Å; D51-E54 VanDerWaalsContact OD1-CA 3.31Å; D51-E54 WeakPolarHBondContact OD1-CA 3.39Å; D51-E54 PolarHBondContact OD1-N 2.94Å; D51-E54 PolarHBondContact OD2-N 2.99Å; D51-T55 VanDerWaalsContact CG-N 3.25Å; D51-T55 PolarHBondContact OD1-N 3.42Å; D51-T55 VanDerWaalsContact OD2-CB 3.28Å; D51-T55 WeakPolarHBondContact OD2-CB 3.42Å; D51-T55 WeakPolarHBondContact OD2-CG2 3.28Å; D51-T55 PolarHBondContact OD2-N 2.83Å; D51-T55 PolarHBondContact OD2-OG1 2.81Å; D51-E56 PolarHBondContact OD1-N 2.97Å
52E83.6Confident91.1Very high141 Ų14132 Ų3266%0.65916%0.162SC*.THydrogen-bonded Turntrans-72.4-23.3176.6-169.3165.2144.200112.8E54 R138E52-E54 VanDerWaalsContact C-N 3.31Å; E52-R138 IonicContact OE2-NH2 2.99Å; E52-R138 PolarHBondContact OE2-NH2 2.88Å
53H83.9Confident91.2Very high144 Ų14431.9 Ų31.967%0.66716%0.163SC*.THydrogen-bonded Turntrans-87.71.5179.6-56.7-53000113.6D51 T55 K316D51-H53 VanDerWaalsContact C-N 3.28Å; D51-H53 PolarHBondContact O-N 2.93Å; D51-H53 WeakPolarHBondContact OD2-CB 3.49Å; D51-H53 PolarHBondContact OD2-N 2.95Å; H53-T55 HydrophobicContact CB-CG2 3.97Å; H53-T55 PolarHBondContact O-N 2.89Å; H53-K316 WeakPolarHBondContact O-CE 3.28Å; H53-K316 PolarHBondContact O-NZ 3.24Å
54E87.2Confident91.1Very high13 Ų1330.1 Ų30.16%0.06116%0.156CC..SBendtrans54.435.3179.6-54.7-174.7149.700113.3W49 D51 E52 T71 S314 S315W49-E54 HydrophobicContact CD2-CB 4Å; W49-E54 HydrophobicContact CD2-CG 3.79Å; W49-E54 HydrophobicContact CE3-CB 3.67Å; W49-E54 HydrophobicContact CE3-CG 4Å; W49-E54 HydrophobicContact CG-CG 4.19Å; W49-E54 HydrophobicContact CH2-CB 3.98Å; W49-E54 HydrophobicContact CH2-CG 4.44Å; W49-E54 HydrophobicContact CZ2-CB 4.3Å; W49-E54 HydrophobicContact CZ2-CG 4.26Å; W49-E54 HydrophobicContact CZ3-CB 3.65Å; W49-E54 HydrophobicContact CZ3-CG 4.31Å; W49-E54 PolarHBondContact NE1-OE1 2.84Å; D51-E54 PolarHBondContact O-N 2.93Å; D51-E54 VanDerWaalsContact OD1-CA 3.31Å; D51-E54 WeakPolarHBondContact OD1-CA 3.39Å; D51-E54 PolarHBondContact OD1-N 2.94Å; D51-E54 PolarHBondContact OD2-N 2.99Å; E52-E54 VanDerWaalsContact C-N 3.31Å; E54-T71 PolarHBondContact O-OG1 2.78Å; E54-S314 WeakPolarHBondContact OE2-CA 3.08Å; E54-S314 VanDerWaalsContact OE2-CB 3.28Å; E54-S314 WeakPolarHBondContact OE2-CB 3.23Å; E54-S314 PolarHBondContact OE2-OG 3.44Å; E54-S315 VanDerWaalsContact CD-OG 3.29Å; E54-S315 WeakPolarHBondContact OE1-CB 3.2Å; E54-S315 PolarHBondContact OE1-N 3.28Å; E54-S315 PolarHBondContact OE1-OG 3Å; E54-S315 PolarHBondContact OE2-N 3.01Å; E54-S315 PolarHBondContact OE2-OG 2.64Å
55T88.1Confident91Very high35 Ų3530.7 Ų30.722%0.21516%0.159CC..  trans-81.8-21.3173.866.90000111.9D51 H53 S70 T71D51-T55 VanDerWaalsContact CG-N 3.25Å; D51-T55 PolarHBondContact OD1-N 3.42Å; D51-T55 VanDerWaalsContact OD2-CB 3.28Å; D51-T55 WeakPolarHBondContact OD2-CB 3.42Å; D51-T55 WeakPolarHBondContact OD2-CG2 3.28Å; D51-T55 PolarHBondContact OD2-N 2.83Å; D51-T55 PolarHBondContact OD2-OG1 2.81Å; H53-T55 HydrophobicContact CB-CG2 3.97Å; H53-T55 PolarHBondContact O-N 2.89Å; T55-S70 CarbonylContact O-C 3.52Å; T55-S70 WeakPolarHBondContact O-CA 3.49Å; T55-T71 VanDerWaalsContact CA-OG1 3.29Å; T55-T71 WeakPolarHBondContact CA-OG1 3.49Å; T55-T71 PolarHBondContact O-N 3.05Å; T55-T71 PolarHBondContact O-OG1 2.78Å
56E92.1Very high91.1Very high63 Ų6330.4 Ų30.429%0.29416%0.157SC..EExtended strand (participates in β ladder)trans-130.6134.8-178-60.4-164.4150.400113G50 D51 T68 F69G50-E56 PolarHBondContact N-O 2.81Å; D51-E56 PolarHBondContact OD1-N 2.97Å; E56-T68 HydrophobicContact CB-CG2 4.03Å; E56-T68 HydrophobicContact CG-CG2 4.23Å; E56-T68 WeakPolarHBondContact OE2-CG2 3.28Å; E56-F69 CarbonylContact C-O 3.55Å; E56-F69 WeakPolarHBondContact CA-O 3.23Å
57V94.3Very high91Very high0 Ų032.1 Ų32.10%016%0.164CC..EExtended strand (participates in β ladder)trans-109.9125.3172.3178.60000108.8W11 L47 W49 V59 F69 T71 L312W11-V57 HydrophobicContact CD2-CG2 4.25Å; W11-V57 HydrophobicContact CG-CG2 4.18Å; L47-V57 HydrophobicContact CD2-CG1 4.05Å; W49-V57 HydrophobicContact CE3-CG2 3.81Å; W49-V57 HydrophobicContact CH2-CG2 4.01Å; W49-V57 HydrophobicContact CZ3-CG2 3.33Å; V57-V59 HydrophobicContact CG1-CG2 4.32Å; V57-F69 HydrophobicContact CB-CB 4.38Å; V57-F69 PolarHBondContact N-O 3.44Å; V57-F69 PolarHBondContact O-N 2.63Å; V57-T71 HydrophobicContact CG2-CG2 3.76Å; V57-L312 HydrophobicContact CG1-CD2 4.06Å; V57-L312 HydrophobicContact CG2-CD2 4.31Å
58L94.9Very high90.9Very high4 Ų431.3 Ų31.32%0.02116%0.16CC..EExtended strand (participates in β ladder)trans-90.5131.3172.3-59.8178000110.6L47 G48 V66 T68 I93 V95 L100L47-L58 WeakPolarHBondContact CA-O 3.39Å; G48-L58 PolarHBondContact N-O 2.9Å; G48-L58 PolarHBondContact O-N 2.78Å; L58-V66 HydrophobicContact CB-CG1 4.44Å; L58-V66 HydrophobicContact CD2-CG1 4.36Å; L58-T68 HydrophobicContact CD2-CG2 4.05Å; L58-T68 WeakPolarHBondContact CD2-OG1 2.89Å; L58-I93 HydrophobicContact CB-CD1 3.76Å; L58-I93 HydrophobicContact CB-CG1 4.46Å; L58-I93 HydrophobicContact CD1-CD1 4.05Å; L58-I93 HydrophobicContact CD1-CG1 4.17Å; L58-V95 HydrophobicContact CD1-CG2 3.27Å; L58-L100 HydrophobicContact CD1-CD1 3.55Å
59V94.9Very high90.9Very high4 Ų430.8 Ų30.82%0.02416%0.155CC..EExtended strand (participates in β ladder)trans-118.9108.3-177.9-172.90000109L19 V44 L47 V57 V66 K67 F76L19-V59 HydrophobicContact CD1-CG2 4.15Å; L19-V59 HydrophobicContact CD2-CG2 4.01Å; V44-V59 HydrophobicContact CB-CG1 4.28Å; V44-V59 HydrophobicContact CG1-CG1 3.61Å; V44-V59 HydrophobicContact CG2-CG1 3.72Å; L47-V59 HydrophobicContact CD2-CB 4.2Å; L47-V59 HydrophobicContact CD2-CG1 4.16Å; L47-V59 HydrophobicContact CD2-CG2 3.77Å; V57-V59 HydrophobicContact CG1-CG2 4.32Å; V59-V66 CarbonylContact O-C 3.57Å; V59-V66 WeakPolarHBondContact O-CA 3.39Å; V59-K67 HydrophobicContact CB-CB 4.41Å; V59-K67 PolarHBondContact N-O 2.87Å; V59-K67 PolarHBondContact O-N 3.5Å; V59-F76 HydrophobicContact CG2-CE1 4.21Å
60G94Very high90.9Very high0 Ų029 Ų290%015%0.149CC..EExtended strand (participates in β ladder)trans-92.3117.3175.400000111.4C45 V46C45-G60 PolarHBondContact N-O 2.8Å; V46-G60 PolarHBondContact N-O 2.95Å; V46-G60 PolarHBondContact O-N 3.23Å
61S92.5Very high90.8Very high3 Ų328.8 Ų28.82%0.02115%0.145CC..EExtended strand (participates in β ladder)trans-100157.1179.8-75.20000112.8Q42 E43 N63 G64 T65 F90Q42-S61 PolarHBondContact O-OG 2.8Å; E43-S61 CarbonylContact O-C 3.59Å; E43-S61 VanDerWaalsContact O-CA 3.24Å; E43-S61 WeakPolarHBondContact O-CA 3.4Å; S61-N63 WeakPolarHBondContact CB-OD1 3.44Å; S61-N63 PolarHBondContact O-N 3.17Å; S61-G64 PolarHBondContact O-N 2.98Å; S61-T65 PolarHBondContact N-O 2.52Å; S61-F90 WeakPolarHBondContact O-CD2 3.17Å; S61-F90 VanDerWaalsContact O-CE2 3.27Å; S61-F90 WeakPolarHBondContact O-CE2 3.47Å
62V91.3Very high90.8Very high44 Ų4431.8 Ų31.827%0.26716%0.158SC..THydrogen-bonded Turntrans-58.4-32179.2173.60000113.1E43 C45 G64 R89E43-V62 HydrophobicContact CB-CB 4.45Å; E43-V62 HydrophobicContact CB-CG2 3.64Å; E43-V62 HydrophobicContact CG-CG2 3.87Å; E43-V62 PolarHBondContact O-N 2.84Å; C45-V62 WeakPolarHBondContact SG-CG2 3.32Å; V62-G64 PolarHBondContact O-N 3.42Å; V62-R89 HydrophobicContact CG2-CB 4.36Å
63N88.6Confident90.8Very high43 Ų4331.3 Ų31.323%0.2315%0.154CC..THydrogen-bonded Turntrans-67.75.6178.467.3-7.9000115.4D41 S61 T65 Q81D41-N63 WeakPolarHBondContact O-CB 3.45Å; D41-N63 PolarHBondContact O-N 2.98Å; S61-N63 WeakPolarHBondContact CB-OD1 3.44Å; S61-N63 PolarHBondContact O-N 3.17Å; N63-T65 VanDerWaalsContact C-N 3.31Å; N63-T65 VanDerWaalsContact CG-OG1 3.31Å; N63-T65 PolarHBondContact ND2-OG1 2.8Å; N63-T65 PolarHBondContact O-N 3.43Å; N63-T65 WeakPolarHBondContact OD1-CB 3.33Å; N63-T65 PolarHBondContact OD1-N 3.32Å; N63-T65 PolarHBondContact OD1-OG1 3.02Å; N63-Q81 PolarHBondContact O-NE2 3.25Å
64G89.1Confident90.9Very high3 Ų324.5 Ų24.53%0.03112%0.123CC..SBendtrans80.58.1-178.100000114.4S61 V62 C82 G83S61-G64 PolarHBondContact O-N 2.98Å; V62-G64 PolarHBondContact O-N 3.42Å; G64-C82 PolarHBondContact O-N 3.41Å; G64-G83 PolarHBondContact O-N 3.38Å; G64-G83 VanDerWaalsContact O-N 3.1Å
65T92Very high91Very high11 Ų1127.9 Ų27.97%0.06714%0.14CC..EExtended strand (participates in β ladder)trans-91.7140.517563.50000111.5S61 N63 T79 R80S61-T65 PolarHBondContact N-O 2.52Å; N63-T65 VanDerWaalsContact C-N 3.31Å; N63-T65 VanDerWaalsContact CG-OG1 3.31Å; N63-T65 PolarHBondContact ND2-OG1 2.8Å; N63-T65 PolarHBondContact O-N 3.43Å; N63-T65 WeakPolarHBondContact OD1-CB 3.33Å; N63-T65 PolarHBondContact OD1-N 3.32Å; N63-T65 PolarHBondContact OD1-OG1 3.02Å; T65-T79 HydrophobicContact CG2-CG2 4.43Å; T65-R80 CarbonylContact C-O 3.5Å; T65-R80 WeakPolarHBondContact CA-O 3.2Å
66V93.8Very high91.1Very high0 Ų029.3 Ų29.30%014%0.144CC..EExtended strand (participates in β ladder)trans-111.3118.9166.8175.90000107.4L58 V59 R80 C82 F90 I93 L100 T102L58-V66 HydrophobicContact CB-CG1 4.44Å; L58-V66 HydrophobicContact CD2-CG1 4.36Å; V59-V66 CarbonylContact O-C 3.57Å; V59-V66 WeakPolarHBondContact O-CA 3.39Å; V66-R80 PolarHBondContact N-O 2.85Å; V66-R80 PolarHBondContact O-N 3.31Å; V66-C82 HydrophobicContact CG2-CB 3.96Å; V66-F90 HydrophobicContact CG2-CE2 4.17Å; V66-F90 HydrophobicContact CG2-CZ 4.14Å; V66-I93 HydrophobicContact CB-CD1 4.36Å; V66-I93 HydrophobicContact CG1-CD1 3.51Å; V66-I93 HydrophobicContact CG2-CD1 3.86Å; V66-L100 HydrophobicContact CG1-CD2 4.18Å; V66-T102 HydrophobicContact CG2-CG2 4.07Å
67K93.3Very high91Very high39 Ų3929 Ų2917%0.1715%0.146CC..EExtended strand (participates in β ladder)trans-103.5136.3175.6-61.1-178.4-179.9172.80109.7V59 F76 E78 T79V59-K67 HydrophobicContact CB-CB 4.41Å; V59-K67 PolarHBondContact N-O 2.87Å; V59-K67 PolarHBondContact O-N 3.5Å; K67-F76 HydrophobicContact CB-CD1 3.85Å; K67-F76 HydrophobicContact CB-CE1 4.08Å; K67-F76 HydrophobicContact CD-CD1 4.38Å; K67-F76 HydrophobicContact CD-CE1 4.43Å; K67-E78 WeakPolarHBondContact CA-O 3.43Å; K67-T79 HydrophobicContact CG-CG2 4.06Å
68T93.9Very high90.8Very high0 Ų033.2 Ų33.20%017%0.166CC..EExtended strand (participates in β ladder)trans-98127.9173.8-52.60000109E56 L58 F76 T77 E78E56-T68 HydrophobicContact CB-CG2 4.03Å; E56-T68 HydrophobicContact CG-CG2 4.23Å; E56-T68 WeakPolarHBondContact OE2-CG2 3.28Å; L58-T68 HydrophobicContact CD2-CG2 4.05Å; L58-T68 WeakPolarHBondContact CD2-OG1 2.89Å; T68-F76 CarbonylContact O-C 3.6Å; T68-F76 WeakPolarHBondContact O-CA 3.27Å; T68-T77 PolarHBondContact O-N 3.36Å; T68-T77 PolarHBondContact O-OG1 2.94Å; T68-E78 PolarHBondContact N-O 3.09Å
69F93.3Very high90.6Very high0 Ų037.3 Ų37.30%019%0.191CC..EExtended strand (participates in β ladder)trans-116.2119.6178.9179.2-93.2000110.1W11 L19 F32 E56 V57 G74 F76W11-F69 HydrophobicContact CE3-CE1 4.43Å; W11-F69 HydrophobicContact CH2-CD1 4.24Å; W11-F69 AromaticContact CH2-CE1 3.42Å; W11-F69 HydrophobicContact CH2-CE1 3.42Å; W11-F69 VanDerWaalsContact CH2-CE1 3.42Å; W11-F69 HydrophobicContact CH2-CZ 4.18Å; W11-F69 HydrophobicContact CZ2-CE1 4.32Å; W11-F69 HydrophobicContact CZ3-CD1 4.08Å; W11-F69 AromaticContact CZ3-CE1 3.46Å; W11-F69 HydrophobicContact CZ3-CE1 3.46Å; W11-F69 VanDerWaalsContact CZ3-CE1 3.46Å; W11-F69 HydrophobicContact CZ3-CZ 4.1Å; L19-F69 HydrophobicContact CD2-CB 3.88Å; L19-F69 HydrophobicContact CD2-CD1 3.82Å; L19-F69 HydrophobicContact CD2-CD2 3.99Å; L19-F69 HydrophobicContact CD2-CE1 4.38Å; L19-F69 HydrophobicContact CD2-CG 3.59Å; F32-F69 HydrophobicContact CB-CE2 3.62Å; F32-F69 HydrophobicContact CB-CZ 3.84Å; F32-F69 AromaticContact CD1-CE2 3.98Å; F32-F69 HydrophobicContact CD1-CE2 3.98Å; F32-F69 AromaticContact CD1-CZ 3.51Å; F32-F69 HydrophobicContact CD1-CZ 3.51Å; F32-F69 HydrophobicContact CD2-CZ 4.22Å; F32-F69 HydrophobicContact CE1-CZ 4.08Å; F32-F69 AromaticContact CG-CE2 3.92Å; F32-F69 HydrophobicContact CG-CE2 3.92Å; F32-F69 AromaticContact CG-CZ 3.58Å; F32-F69 HydrophobicContact CG-CZ 3.58Å; E56-F69 CarbonylContact C-O 3.55Å; E56-F69 WeakPolarHBondContact CA-O 3.23Å; V57-F69 HydrophobicContact CB-CB 4.38Å; V57-F69 PolarHBondContact N-O 3.44Å; V57-F69 PolarHBondContact O-N 2.63Å; F69-G74 VanDerWaalsContact CE2-C 3.42Å; F69-G74 VanDerWaalsContact CZ-C 3.45Å; F69-F76 HydrophobicContact CB-CD1 3.87Å; F69-F76 HydrophobicContact CB-CE1 3.86Å; F69-F76 AromaticContact CD2-CD1 3.99Å; F69-F76 HydrophobicContact CD2-CD1 3.99Å; F69-F76 HydrophobicContact CD2-CD2 4.08Å; F69-F76 AromaticContact CD2-CE1 3.99Å; F69-F76 HydrophobicContact CD2-CE1 3.99Å; F69-F76 HydrophobicContact CD2-CE2 4.06Å; F69-F76 HydrophobicContact CD2-CG 4.05Å; F69-F76 HydrophobicContact CD2-CZ 4.02Å; F69-F76 HydrophobicContact CG-CD1 4.44Å; F69-F76 HydrophobicContact CG-CE1 4.33Å
70S91.6Very high90.4Very high8 Ų841.2 Ų41.26%0.05621%0.205CC..EExtended strand (participates in β ladder)trans-81.5121.7176.8174.10000110.2T55 E72 K73 G74 I75T55-S70 CarbonylContact O-C 3.52Å; T55-S70 WeakPolarHBondContact O-CA 3.49Å; S70-E72 VanDerWaalsContact C-N 3.31Å; S70-K73 PolarHBondContact OG-N 2.88Å; S70-G74 VanDerWaalsContact O-CA 3.29Å; S70-G74 WeakPolarHBondContact O-CA 3.27Å; S70-G74 PolarHBondContact O-N 3.45Å; S70-I75 PolarHBondContact N-O 3.32Å
71T87.6Confident90.2Very high10 Ų1046.8 Ų46.86%0.06123%0.231CC..THydrogen-bonded Turntrans-71.6-28.2179.362.50000111.6S5 W11 W49 E54 T55 V57S5-T71 CarbonylContact C-O 3.32Å; S5-T71 WeakPolarHBondContact CB-O 3.44Å; S5-T71 PolarHBondContact OG-O 3.41Å; W11-T71 HydrophobicContact CZ2-CG2 3.8Å; W49-T71 HydrophobicContact CZ3-CG2 4.09Å; E54-T71 PolarHBondContact O-OG1 2.78Å; T55-T71 VanDerWaalsContact CA-OG1 3.29Å; T55-T71 WeakPolarHBondContact CA-OG1 3.49Å; T55-T71 PolarHBondContact O-N 3.05Å; T55-T71 PolarHBondContact O-OG1 2.78Å; V57-T71 HydrophobicContact CG2-CG2 3.76Å
72E86.2Confident89.7Confident103 Ų10346.7 Ų46.748%0.48123%0.231SC..THydrogen-bonded Turntrans-75-46.3177.8-61-174167.500112.2A2 S70A2-E72 WeakPolarHBondContact CA-O 3.37Å; A2-E72 VanDerWaalsContact CB-O 3.23Å; A2-E72 WeakPolarHBondContact CB-O 3.27Å; S70-E72 VanDerWaalsContact C-N 3.31Å
73K84.8Confident89.1Confident130 Ų13045 Ų4557%0.56522%0.222SC*.THydrogen-bonded Turntrans-83.2-25.8-178.1-61.2176.7-177.6170.30112.1A2 S70 I75A2-K73 PolarHBondContact N-O 3.04Å; S70-K73 PolarHBondContact OG-N 2.88Å; K73-I75 VanDerWaalsContact C-N 3.34Å; K73-I75 HydrophobicContact CB-CD1 4.29Å; K73-I75 HydrophobicContact CB-CG1 3.81Å
74G85.4Confident88.8Confident1 Ų148.5 Ų48.51%0.0124%0.237CC..THydrogen-bonded Turntrans70.129.5-177.800000113.4S5 F69 S70S5-G74 VanDerWaalsContact OG-CA 3.23Å; S5-G74 WeakPolarHBondContact OG-CA 3.41Å; S5-G74 PolarHBondContact OG-N 3.09Å; F69-G74 VanDerWaalsContact CE2-C 3.42Å; F69-G74 VanDerWaalsContact CZ-C 3.45Å; S70-G74 VanDerWaalsContact O-CA 3.29Å; S70-G74 WeakPolarHBondContact O-CA 3.27Å; S70-G74 PolarHBondContact O-N 3.45Å
75I89.3Confident88Confident85 Ų8552.9 Ų52.944%0.43627%0.267SS..EExtended strand (participates in β ladder)trans-134.7156-178.963.2174.8000110.6S70 K73 T77S70-I75 PolarHBondContact N-O 3.32Å; K73-I75 VanDerWaalsContact C-N 3.34Å; K73-I75 HydrophobicContact CB-CD1 4.29Å; K73-I75 HydrophobicContact CB-CG1 3.81Å; I75-T77 PolarHBondContact O-N 3.39Å
76F90.4Very high87.4Confident65 Ų6557.6 Ų57.629%0.28530%0.296SS..EExtended strand (participates in β ladder)trans-73.7123167.8-68.8-80.8000109.6L19 F32 V59 K67 T68 F69L19-F76 HydrophobicContact CB-CZ 4.14Å; L19-F76 HydrophobicContact CD2-CE1 4.31Å; L19-F76 HydrophobicContact CD2-CZ 4.11Å; F32-F76 WeakPolarHBondContact O-CE2 3.23Å; V59-F76 HydrophobicContact CG2-CE1 4.21Å; K67-F76 HydrophobicContact CB-CD1 3.85Å; K67-F76 HydrophobicContact CB-CE1 4.08Å; K67-F76 HydrophobicContact CD-CD1 4.38Å; K67-F76 HydrophobicContact CD-CE1 4.43Å; T68-F76 CarbonylContact O-C 3.6Å; T68-F76 WeakPolarHBondContact O-CA 3.27Å; F69-F76 HydrophobicContact CB-CD1 3.87Å; F69-F76 HydrophobicContact CB-CE1 3.86Å; F69-F76 AromaticContact CD2-CD1 3.99Å; F69-F76 HydrophobicContact CD2-CD1 3.99Å; F69-F76 HydrophobicContact CD2-CD2 4.08Å; F69-F76 AromaticContact CD2-CE1 3.99Å; F69-F76 HydrophobicContact CD2-CE1 3.99Å; F69-F76 HydrophobicContact CD2-CE2 4.06Å; F69-F76 HydrophobicContact CD2-CG 4.05Å; F69-F76 HydrophobicContact CD2-CZ 4.02Å; F69-F76 HydrophobicContact CG-CD1 4.44Å; F69-F76 HydrophobicContact CG-CE1 4.33Å
77T90.1Very high86.8Confident56 Ų5659 Ų5934%0.34430%0.302SS..EExtended strand (participates in β ladder)trans-92.9-45.5-177470000111.2T68 I75T68-T77 PolarHBondContact O-N 3.36Å; T68-T77 PolarHBondContact O-OG1 2.94Å; I75-T77 PolarHBondContact O-N 3.39Å
78E89.7Confident86.5Confident89 Ų8958.4 Ų58.442%0.41631%0.307SS..EExtended strand (participates in β ladder)trans-134.4152.9-172.8-60.4-171.1154.100111.9K67 T68 R80K67-E78 WeakPolarHBondContact CA-O 3.43Å; T68-E78 PolarHBondContact N-O 3.09Å; E78-R80 IonicContact OE2-CZ 3.24Å; E78-R80 VanDerWaalsContact OE2-CZ 3.24Å; E78-R80 IonicContact OE2-NH1 2.69Å; E78-R80 PolarHBondContact OE2-NH1 2.88Å; E78-R80 IonicContact OE2-NH2 3.34Å; E78-R80 PolarHBondContact OE2-NH2 3.3Å
79T91.8Very high86.3Confident89 Ų8962.9 Ų62.955%0.54632%0.324SS..EExtended strand (participates in β ladder)trans-135.6120.2170.6-62.40000108.3T65 K67T65-T79 HydrophobicContact CG2-CG2 4.43Å; K67-T79 HydrophobicContact CG-CG2 4.06Å
80R89.6Confident86.4Confident86 Ų8663.2 Ų63.233%0.32533%0.326SS..EExtended strand (participates in β ladder)trans-113.8136.7179.3-68-170.4-98.8-101.4-2.5110.1T65 V66 E78T65-R80 CarbonylContact C-O 3.5Å; T65-R80 WeakPolarHBondContact CA-O 3.2Å; V66-R80 PolarHBondContact N-O 2.85Å; V66-R80 PolarHBondContact O-N 3.31Å; E78-R80 IonicContact OE2-CZ 3.24Å; E78-R80 VanDerWaalsContact OE2-CZ 3.24Å; E78-R80 IonicContact OE2-NH1 2.69Å; E78-R80 PolarHBondContact OE2-NH1 2.88Å; E78-R80 IonicContact OE2-NH2 3.34Å; E78-R80 PolarHBondContact OE2-NH2 3.3Å
81Q89.5Confident86.5Confident117 Ų11763.1 Ų63.155%0.54733%0.325SS..EExtended strand (participates in β ladder)trans-87.7107.1170.3-168.769.831.400108.3N63 G83N63-Q81 PolarHBondContact O-NE2 3.25Å; Q81-G83 PolarHBondContact NE2-O 3.06Å
82C83.4Confident86.8Confident2 Ų262.9 Ų62.91%0.01432%0.324CS..  trans-113.14.4-174-61.90000113.3G64 V66 F90 T102 W112G64-C82 PolarHBondContact O-N 3.41Å; V66-C82 HydrophobicContact CG2-CB 3.96Å; C82-F90 HydrophobicContact CB-CZ 4.18Å; C82-T102 HydrophobicContact CB-CG2 4.02Å; C82-W112 VanDerWaalsContact CA-CZ2 3.41Å; C82-W112 HydrophobicContact CB-CZ2 3.83Å; C82-W112 WeakPolarHBondContact O-CZ2 3.48Å
83G78.7Confident87.2Confident7 Ų758.9 Ų58.97%0.07231%0.306CS..SBendtrans-164.5166.7179.700000111.8G64 Q81G64-G83 PolarHBondContact O-N 3.38Å; G64-G83 VanDerWaalsContact O-N 3.1Å; Q81-G83 PolarHBondContact NE2-O 3.06Å
84E80.9Confident87.6Confident117 Ų11753 Ų5355%0.54728%0.282SS..  trans-96.8149.5167.9-68.2174.2-163.100109.4T86 Q87E84-T86 WeakPolarHBondContact CB-OG1 3.36Å; E84-T86 PolarHBondContact O-N 2.81Å; E84-T86 VanDerWaalsContact O-N 3.12Å; E84-T86 PolarHBondContact OE2-OG1 2.82Å; E84-Q87 HydrophobicContact CB-CG 4.17Å; E84-Q87 PolarHBondContact O-N 2.85Å; E84-Q87 VanDerWaalsContact O-N 3.08Å
85S73.7Confident87.9Confident95 Ų9554.6 Ų54.666%0.66429%0.291SS*.G310 helixtrans-61.1-21.5177.656.90000113.3Q87S85-Q87 VanDerWaalsContact C-N 3.3Å; S85-Q87 PolarHBondContact O-N 3.06Å
86T78.4Confident87.8Confident110 Ų11051.3 Ų51.368%0.67528%0.275SS*.G310 helixtrans-73.1-19.7177.855.10000113.4E84 G88E84-T86 WeakPolarHBondContact CB-OG1 3.36Å; E84-T86 PolarHBondContact O-N 2.81Å; E84-T86 VanDerWaalsContact O-N 3.12Å; E84-T86 PolarHBondContact OE2-OG1 2.82Å; T86-G88 VanDerWaalsContact C-N 3.3Å; T86-G88 PolarHBondContact O-N 3.36Å
87Q81.9Confident87.5Confident29 Ų2955 Ų5514%0.13630%0.298CS..G310 helixtrans-84.2-6-173.2-64.5179.7-18.900113.3E84 S85 V104 T106E84-Q87 HydrophobicContact CB-CG 4.17Å; E84-Q87 PolarHBondContact O-N 2.85Å; E84-Q87 VanDerWaalsContact O-N 3.08Å; S85-Q87 VanDerWaalsContact C-N 3.3Å; S85-Q87 PolarHBondContact O-N 3.06Å; Q87-V104 HydrophobicContact CB-CG1 3.91Å; Q87-V104 WeakPolarHBondContact O-CG1 3.34Å; Q87-T106 WeakPolarHBondContact O-CB 3.15Å; Q87-T106 WeakPolarHBondContact O-CG2 3.42Å; Q87-T106 PolarHBondContact O-N 3.19Å; Q87-T106 PolarHBondContact O-OG1 2.81Å
88G85.5Confident87.2Confident27 Ų2756 Ų5628%0.27831%0.307SS..  trans92-170.9-178.500000113.3T86 V104T86-G88 VanDerWaalsContact C-N 3.3Å; T86-G88 PolarHBondContact O-N 3.36Å; G88-V104 VanDerWaalsContact O-CG1 3.24Å; G88-V104 WeakPolarHBondContact O-CG1 3.47Å
89R91.6Very high87.3Confident94 Ų9452.2 Ų52.236%0.35529%0.291SS..  trans-77.6155.3-17771.1-174.8-59.3-179.813.7112.2E43 C45 V62 V104 E105E43-R89 IonicContact OE1-NH2 4Å; E43-R89 PolarHBondContact OE1-NH2 2.74Å; E43-R89 VanDerWaalsContact OE1-NH2 3.13Å; C45-R89 PolarHBondContact SG-NE 3.1Å; C45-R89 VanDerWaalsContact SG-NE 3.42Å; C45-R89 PolarHBondContact SG-NH2 3.21Å; V62-R89 HydrophobicContact CG2-CB 4.36Å; R89-V104 WeakPolarHBondContact O-CG1 3.38Å; R89-E105 HydrophobicContact CG-CB 4.38Å; R89-E105 PolarHBondContact O-N 2.88Å
90F94.3Very high87.3Confident8 Ų848.5 Ų48.54%0.03527%0.268CS..EExtended strand (participates in β ladder)trans-67.2135.2168.1-70.3-61.5000111.4C45 V46 S61 V66 C82 T102 C103 V104C45-F90 HydrophobicContact CB-CB 4.42Å; C45-F90 WeakPolarHBondContact CB-O 3.36Å; V46-F90 HydrophobicContact CG1-CB 4.37Å; V46-F90 WeakPolarHBondContact CG1-O 3.36Å; V46-F90 HydrophobicContact CG2-CB 3.68Å; V46-F90 HydrophobicContact CG2-CG 4.5Å; S61-F90 WeakPolarHBondContact O-CD2 3.17Å; S61-F90 VanDerWaalsContact O-CE2 3.27Å; S61-F90 WeakPolarHBondContact O-CE2 3.47Å; V66-F90 HydrophobicContact CG2-CE2 4.17Å; V66-F90 HydrophobicContact CG2-CZ 4.14Å; C82-F90 HydrophobicContact CB-CZ 4.18Å; F90-T102 HydrophobicContact CE1-CG2 4.35Å; F90-C103 WeakPolarHBondContact CA-O 3.39Å; F90-V104 HydrophobicContact CD1-CG2 4.12Å; F90-V104 HydrophobicContact CE1-CG2 4.07Å
91T94Very high87.5Confident6 Ų644.4 Ų44.44%0.03725%0.253CS..EExtended strand (participates in β ladder)trans-109.2-17.1-178.559.60000112.1C103 E105 V128 R130 M131T91-C103 PolarHBondContact N-O 2.97Å; T91-C103 PolarHBondContact OG1-O 2.98Å; T91-C103 PolarHBondContact OG1-SG 2.99Å; T91-E105 HydrophobicContact CG2-CB 4.06Å; T91-V128 HydrophobicContact CG2-CG1 4.48Å; T91-V128 WeakPolarHBondContact CG2-O 3.38Å; T91-R130 WeakPolarHBondContact O-CA 3.24Å; T91-R130 WeakPolarHBondContact O-CD 3.43Å; T91-M131 PolarHBondContact O-N 2.89Å
92G93.2Very high87.8Confident4 Ų438.9 Ų38.94%0.04123%0.226CC..EExtended strand (participates in β ladder)trans-169.5159.2168.100000112C103 M131G92-C103 PolarHBondContact O-N 3.44Å; G92-M131 WeakPolarHBondContact O-CE 3.25Å
93I95Very high88.3Confident19 Ų1938.8 Ų38.810%0.09723%0.226CC..EExtended strand (participates in β ladder)trans-138.5140.6174.3-167.8162.5000108.3V46 L58 V66 L100 I101V46-I93 HydrophobicContact CB-CG2 4.16Å; V46-I93 HydrophobicContact CG2-CB 3.96Å; V46-I93 HydrophobicContact CG2-CG2 3.82Å; L58-I93 HydrophobicContact CB-CD1 3.76Å; L58-I93 HydrophobicContact CB-CG1 4.46Å; L58-I93 HydrophobicContact CD1-CD1 4.05Å; L58-I93 HydrophobicContact CD1-CG1 4.17Å; V66-I93 HydrophobicContact CB-CD1 4.36Å; V66-I93 HydrophobicContact CG1-CD1 3.51Å; V66-I93 HydrophobicContact CG2-CD1 3.86Å; I93-L100 HydrophobicContact CD1-CD1 4.02Å; I93-L100 HydrophobicContact CG1-CD1 3.81Å; I93-I101 WeakPolarHBondContact CA-O 3.26Å
94A92.8Very high89.1Confident8 Ų838.6 Ų38.67%0.06622%0.223CC..EExtended strand (participates in β ladder)trans-152160.1178.300000110I101 M131 Q133A94-I101 HydrophobicContact CB-CB 4.31Å; A94-I101 HydrophobicContact CB-CD1 4.18Å; A94-I101 PolarHBondContact N-O 2.99Å; A94-I101 PolarHBondContact O-N 3.46Å; A94-M131 HydrophobicContact CB-CE 4.4Å; A94-Q133 HydrophobicContact CB-CB 3.76Å; A94-Q133 HydrophobicContact CB-CG 4.36Å
95V91.9Very high89.6Confident33 Ų3337 Ų3720%0.222%0.216CC..EExtended strand (participates in β ladder)trans-126.9141177.5179.30000109.4G50 L58 L100 Q133G50-V95 WeakPolarHBondContact O-CG1 3.45Å; L58-V95 HydrophobicContact CD1-CG2 3.27Å; V95-L100 HydrophobicContact CG2-CD1 3.89Å; V95-Q133 PolarHBondContact O-NE2 2.79Å; V95-Q133 PolarHBondContact O-OE1 3.07Å
96T88.2Confident90.5Very high17 Ų1735.8 Ų35.810%0.10421%0.205CC..EExtended strand (participates in β ladder)trans-113.2161.5164.1-53.60000107.3S98 A99 Q133 R138T96-S98 PolarHBondContact O-N 2.95Å; T96-A99 PolarHBondContact N-O 3.49Å; T96-A99 PolarHBondContact O-N 3.04Å; T96-Q133 PolarHBondContact OG1-NE2 2.87Å; T96-R138 HydrophobicContact CG2-CB 4.22Å; T96-R138 PolarHBondContact OG1-O 3.27Å
97D82.8Confident91.1Very high143 Ų14330.5 Ų30.577%0.76517%0.172SC*.THydrogen-bonded Turntrans-49.5-21-176.2-51.7-15.4000115.3
98S85.1Confident91.7Very high75 Ų7530.7 Ų30.752%0.52417%0.174SC..THydrogen-bonded Turntrans-129.63.6-179.471.20000114.9T96 E114T96-S98 PolarHBondContact O-N 2.95Å; S98-E114 PolarHBondContact O-N 2.98Å
99A90.7Very high92Very high10 Ų1029.4 Ų29.48%0.08316%0.161CC..EExtended strand (participates in β ladder)trans-156.1144.7-17200000114.5T96 V111 W112T96-A99 PolarHBondContact N-O 3.49Å; T96-A99 PolarHBondContact O-N 3.04Å; A99-V111 HydrophobicContact CB-CG1 3.66Å; A99-W112 CarbonylContact C-O 3.26Å; A99-W112 WeakPolarHBondContact CA-O 3.44Å; A99-W112 WeakPolarHBondContact CB-O 3.46Å
100L92.1Very high92.1Very high12 Ų1226.3 Ų26.36%0.06315%0.149CC..EExtended strand (participates in β ladder)trans-91.9134.3168.6172.669.8000109.8L58 V66 I93 V95 T102 W112L58-L100 HydrophobicContact CD1-CD1 3.55Å; V66-L100 HydrophobicContact CG1-CD2 4.18Å; I93-L100 HydrophobicContact CD1-CD1 4.02Å; I93-L100 HydrophobicContact CG1-CD1 3.81Å; V95-L100 HydrophobicContact CG2-CD1 3.89Å; L100-T102 HydrophobicContact CD2-CG2 4.19Å; L100-T102 HydrophobicContact CG-CG2 4.13Å; L100-W112 HydrophobicContact CB-CB 4.19Å; L100-W112 PolarHBondContact N-O 3.2Å; L100-W112 PolarHBondContact O-N 3.24Å
101I94Very high92Very high0 Ų026.5 Ų26.50%015%0.151CC..EExtended strand (participates in β ladder)trans-113.4125.7177.9-53.9150.4000108.7I93 A94 L109 R110 V111 M131 V141 L155I93-I101 WeakPolarHBondContact CA-O 3.26Å; A94-I101 HydrophobicContact CB-CB 4.31Å; A94-I101 HydrophobicContact CB-CD1 4.18Å; A94-I101 PolarHBondContact N-O 2.99Å; A94-I101 PolarHBondContact O-N 3.46Å; I101-L109 HydrophobicContact CG2-CD1 4.47Å; I101-L109 HydrophobicContact CG2-CD2 3.85Å; I101-L109 HydrophobicContact CG2-CG 4.14Å; I101-R110 WeakPolarHBondContact CA-O 3.4Å; I101-V111 HydrophobicContact CG1-CG1 4.48Å; I101-M131 HydrophobicContact CG2-CE 4.46Å; I101-V141 HydrophobicContact CD1-CG1 4.2Å; I101-V141 HydrophobicContact CG2-CG1 4.46Å; I101-L155 HydrophobicContact CD1-CD1 3.36Å; I101-L155 HydrophobicContact CG1-CD1 3.92Å
102T94.7Very high91.9Very high0 Ų029.3 Ų29.30%016%0.161CC..EExtended strand (participates in β ladder)trans-125.5138.5177.458.80000110.1V66 C82 F90 L100 L109 R110 W112V66-T102 HydrophobicContact CG2-CG2 4.07Å; C82-T102 HydrophobicContact CB-CG2 4.02Å; F90-T102 HydrophobicContact CE1-CG2 4.35Å; L100-T102 HydrophobicContact CD2-CG2 4.19Å; L100-T102 HydrophobicContact CG-CG2 4.13Å; T102-L109 CarbonylContact O-C 3.49Å; T102-L109 WeakPolarHBondContact O-CA 3.44Å; T102-R110 PolarHBondContact N-O 3.47Å; T102-R110 PolarHBondContact O-N 3.38Å; T102-W112 PolarHBondContact OG1-NE1 3.29Å
103C94.8Very high91.7Very high0 Ų034.3 Ų34.30%018%0.181CC..EExtended strand (participates in β ladder)trans-126.7136.7174-171.30000110.8F90 T91 G92 L109 M131F90-C103 WeakPolarHBondContact CA-O 3.39Å; T91-C103 PolarHBondContact N-O 2.97Å; T91-C103 PolarHBondContact OG1-O 2.98Å; T91-C103 PolarHBondContact OG1-SG 2.99Å; G92-C103 PolarHBondContact O-N 3.44Å; C103-L109 HydrophobicContact CB-CD1 4.47Å; C103-L109 HydrophobicContact CB-CG 4.41Å; C103-M131 HydrophobicContact CB-CB 3.55Å; C103-M131 HydrophobicContact CB-CE 4.13Å; C103-M131 HydrophobicContact CB-CG 3.77Å
104V94.9Very high91Very high3 Ų340.6 Ų40.62%0.01821%0.211CC..EExtended strand (participates in β ladder)trans-112.7157.3-178.5-156.40000110.5Q87 G88 R89 F90 T106 G107 L108Q87-V104 HydrophobicContact CB-CG1 3.91Å; Q87-V104 WeakPolarHBondContact O-CG1 3.34Å; G88-V104 VanDerWaalsContact O-CG1 3.24Å; G88-V104 WeakPolarHBondContact O-CG1 3.47Å; R89-V104 WeakPolarHBondContact O-CG1 3.38Å; F90-V104 HydrophobicContact CD1-CG2 4.12Å; F90-V104 HydrophobicContact CE1-CG2 4.07Å; V104-T106 PolarHBondContact O-N 2.8Å; V104-G107 PolarHBondContact O-N 3.16Å; V104-L108 PolarHBondContact N-O 2.94Å
105E92.8Very high90.2Very high83 Ų8344.7 Ų44.739%0.38825%0.253SS..THydrogen-bonded Turntrans-55-34-179.8-177.2171-166.700114.5R89 T91 G107 N127 V128R89-E105 HydrophobicContact CG-CB 4.38Å; R89-E105 PolarHBondContact O-N 2.88Å; T91-E105 HydrophobicContact CG2-CB 4.06Å; E105-G107 PolarHBondContact O-N 3.13Å; E105-G107 VanDerWaalsContact O-N 3.13Å; E105-N127 CarbonylContact O-C 3.56Å; E105-N127 VanDerWaalsContact O-CA 3.26Å; E105-N127 WeakPolarHBondContact O-CA 3.46Å; E105-N127 PolarHBondContact O-N 3.45Å; E105-V128 PolarHBondContact O-N 3.44Å
106T92.5Very high89.5Confident70 Ų7045.5 Ų45.543%0.42926%0.26SS..THydrogen-bonded Turntrans-63.1-15174.342.40000114Q87 V104Q87-T106 WeakPolarHBondContact O-CB 3.15Å; Q87-T106 WeakPolarHBondContact O-CG2 3.42Å; Q87-T106 PolarHBondContact O-N 3.19Å; Q87-T106 PolarHBondContact O-OG1 2.81Å; V104-T106 PolarHBondContact O-N 2.8Å
107G90.9Very high88.9Confident0 Ų051.2 Ų51.20%030%0.295CS..SBendtrans102.2-0.5-179.600000115.1V104 E105 L109 A124 G125V104-G107 PolarHBondContact O-N 3.16Å; E105-G107 PolarHBondContact O-N 3.13Å; E105-G107 VanDerWaalsContact O-N 3.13Å; G107-L109 PolarHBondContact O-N 3.07Å; G107-A124 WeakPolarHBondContact O-CB 3.39Å; G107-A124 PolarHBondContact O-N 3.08Å; G107-G125 WeakPolarHBondContact CA-O 3.45Å
108L93.1Very high88.8Confident32 Ų3249.5 Ų49.517%0.16829%0.286CS..EExtended strand (participates in β ladder)trans-76.6114.3178.5-166.762.9000109.4V104 R110 E121V104-L108 PolarHBondContact N-O 2.94Å; L108-R110 HydrophobicContact CD2-CG 4.35Å; L108-R110 HydrophobicContact CG-CG 4.11Å; L108-E121 HydrophobicContact CD1-CB 4.12Å
109L93.3Very high88.9Confident0 Ų048.5 Ų48.50%028%0.277CS..EExtended strand (participates in β ladder)trans-103.6122.1171.3-173.2154.9000108I101 T102 C103 G107 V111 I122 M131 V141 T143 L155I101-L109 HydrophobicContact CG2-CD1 4.47Å; I101-L109 HydrophobicContact CG2-CD2 3.85Å; I101-L109 HydrophobicContact CG2-CG 4.14Å; T102-L109 CarbonylContact O-C 3.49Å; T102-L109 WeakPolarHBondContact O-CA 3.44Å; C103-L109 HydrophobicContact CB-CD1 4.47Å; C103-L109 HydrophobicContact CB-CG 4.41Å; G107-L109 PolarHBondContact O-N 3.07Å; L109-V111 HydrophobicContact CD2-CG2 4.1Å; L109-I122 HydrophobicContact CB-CB 4.26Å; L109-I122 HydrophobicContact CD2-CB 4.33Å; L109-I122 HydrophobicContact CD2-CD1 4.13Å; L109-I122 HydrophobicContact CD2-CG1 4.39Å; L109-I122 PolarHBondContact N-O 3.21Å; L109-I122 PolarHBondContact O-N 2.92Å; L109-M131 HydrophobicContact CD1-CG 4.01Å; L109-V141 HydrophobicContact CD1-CB 4.41Å; L109-V141 HydrophobicContact CD1-CG2 3.64Å; L109-T143 HydrophobicContact CD1-CG2 3.95Å; L109-L155 HydrophobicContact CD2-CD2 4.1Å
110R92.9Very high88.8Confident29 Ų2950.1 Ų50.111%0.10929%0.286CS..EExtended strand (participates in β ladder)trans-116133.8-179.2-67.4-175.8167.5146-7.5110.5I101 T102 L108 W112 V120 E121I101-R110 WeakPolarHBondContact CA-O 3.4Å; T102-R110 PolarHBondContact N-O 3.47Å; T102-R110 PolarHBondContact O-N 3.38Å; L108-R110 HydrophobicContact CD2-CG 4.35Å; L108-R110 HydrophobicContact CG-CG 4.11Å; R110-W112 HydrophobicContact CB-CZ2 4.17Å; R110-W112 VanDerWaalsContact CD-CZ2 3.44Å; R110-W112 HydrophobicContact CG-CZ2 4.47Å; R110-V120 WeakPolarHBondContact CA-O 3.43Å; R110-E121 HydrophobicContact CG-CG 4.24Å; R110-E121 IonicContact CZ-OE1 2.88Å; R110-E121 VanDerWaalsContact CZ-OE1 3.31Å; R110-E121 IonicContact NE-OE1 3.5Å; R110-E121 PolarHBondContact NE-OE1 3.02Å; R110-E121 IonicContact NH2-OE1 2.91Å; R110-E121 PolarHBondContact NH2-OE1 2.71Å
111V93.1Very high88.8Confident12 Ų1254.4 Ų54.47%0.07331%0.305CS..EExtended strand (participates in β ladder)trans-106.6115170.8-171.50000107.8A99 I101 L109 T119 V120 L155A99-V111 HydrophobicContact CB-CG1 3.66Å; I101-V111 HydrophobicContact CG1-CG1 4.48Å; L109-V111 HydrophobicContact CD2-CG2 4.1Å; V111-T119 WeakPolarHBondContact O-CA 3.05Å; V111-V120 HydrophobicContact CB-CB 4.16Å; V111-V120 HydrophobicContact CG2-CB 4.49Å; V111-V120 PolarHBondContact N-O 3.17Å; V111-V120 PolarHBondContact O-N 3.11Å; V111-L155 HydrophobicContact CG2-CD2 3.74Å
112W91.1Very high88.7Confident65 Ų6554.6 Ų54.625%0.24631%0.306CS..EExtended strand (participates in β ladder)trans-100106.4-178.9-56.285.2000108.2C82 A99 L100 T102 R110 T119C82-W112 VanDerWaalsContact CA-CZ2 3.41Å; C82-W112 HydrophobicContact CB-CZ2 3.83Å; C82-W112 WeakPolarHBondContact O-CZ2 3.48Å; A99-W112 CarbonylContact C-O 3.26Å; A99-W112 WeakPolarHBondContact CA-O 3.44Å; A99-W112 WeakPolarHBondContact CB-O 3.46Å; L100-W112 HydrophobicContact CB-CB 4.19Å; L100-W112 PolarHBondContact N-O 3.2Å; L100-W112 PolarHBondContact O-N 3.24Å; T102-W112 PolarHBondContact OG1-NE1 3.29Å; R110-W112 HydrophobicContact CB-CZ2 4.17Å; R110-W112 VanDerWaalsContact CD-CZ2 3.44Å; R110-W112 HydrophobicContact CG-CZ2 4.47Å; W112-T119 HydrophobicContact CD2-CG2 3.78Å; W112-T119 HydrophobicContact CE3-CG2 3.29Å; W112-T119 HydrophobicContact CH2-CG2 3.95Å; W112-T119 HydrophobicContact CZ2-CG2 4.36Å; W112-T119 HydrophobicContact CZ3-CG2 3.41Å; W112-T119 VanDerWaalsContact CZ3-CG2 3.41Å
113K88.5Confident88.6Confident109 Ų10960.1 Ų60.147%0.47434%0.336SS..EExtended strand (participates in β ladder)trans-74.3134.9178.1-68.8-179179.9177.80110.1G115 S116K113-G115 PolarHBondContact O-N 3.24Å; K113-S116 PolarHBondContact O-N 3.14Å; K113-S116 VanDerWaalsContact O-O 3.1Å
114E81.4Confident88.4Confident152 Ų15260.1 Ų60.171%0.7134%0.336SS*.THydrogen-bonded Turntrans-69131.5177.5-164.6168.4-168.500110.3S98 S116S98-E114 PolarHBondContact O-N 2.98Å; E114-S116 VanDerWaalsContact C-N 3.31Å; E114-S116 PolarHBondContact O-N 2.88Å
115G75.2Confident88.1Confident93 Ų9360.7 Ų60.796%0.95934%0.343SS*.THydrogen-bonded Turntrans79.11.1-178.900000116.3K113K113-G115 PolarHBondContact O-N 3.24Å
116S77.2Confident87.9Confident51 Ų5161.3 Ų61.336%0.35735%0.352SS..  trans-125.8150.8170.5-176.70000111.3K113 E114 D118K113-S116 PolarHBondContact O-N 3.14Å; K113-S116 VanDerWaalsContact O-O 3.1Å; E114-S116 VanDerWaalsContact C-N 3.31Å; E114-S116 PolarHBondContact O-N 2.88Å; S116-D118 WeakPolarHBondContact OG-CB 3.15Å; S116-D118 VanDerWaalsContact OG-CG 3.26Å; S116-D118 PolarHBondContact OG-N 2.97Å; S116-D118 PolarHBondContact OG-OD2 2.92Å
117T75.8Confident87.9Confident136 Ų13661.8 Ų61.883%0.83435%0.352SS*.  trans-79.8-6.7168.451.20000112.6T119T117-T119 PolarHBondContact O-N 2.93Å
118D80Confident88.1Confident107 Ų10761.8 Ų61.857%0.57235%0.352SS*.  trans-71.7123.1-178.5-61.9-26.6000110.7S116S116-D118 WeakPolarHBondContact OG-CB 3.15Å; S116-D118 VanDerWaalsContact OG-CG 3.26Å; S116-D118 PolarHBondContact OG-N 2.97Å; S116-D118 PolarHBondContact OG-OD2 2.92Å
119T87.3Confident88.2Confident54 Ų5461.6 Ų61.633%0.33135%0.353SS..EExtended strand (participates in β ladder)trans-110.4135.8174.254.70000110.1V111 W112 T117V111-T119 WeakPolarHBondContact O-CA 3.05Å; W112-T119 HydrophobicContact CD2-CG2 3.78Å; W112-T119 HydrophobicContact CE3-CG2 3.29Å; W112-T119 HydrophobicContact CH2-CG2 3.95Å; W112-T119 HydrophobicContact CZ2-CG2 4.36Å; W112-T119 HydrophobicContact CZ3-CG2 3.41Å; W112-T119 VanDerWaalsContact CZ3-CG2 3.41Å; T117-T119 PolarHBondContact O-N 2.93Å
120V89.6Confident88.3Confident44 Ų4464 Ų6427%0.26736%0.362SS..EExtended strand (participates in β ladder)trans-95.2124168.4-177.50000107.6R110 V111 I122 P158R110-V120 WeakPolarHBondContact CA-O 3.43Å; V111-V120 HydrophobicContact CB-CB 4.16Å; V111-V120 HydrophobicContact CG2-CB 4.49Å; V111-V120 PolarHBondContact N-O 3.17Å; V111-V120 PolarHBondContact O-N 3.11Å; V120-I122 HydrophobicContact CG1-CG1 4.5Å; V120-P158 HydrophobicContact CG1-CB 3.98Å; V120-P158 HydrophobicContact CG1-CG 4Å
121E91.4Very high88.4Confident102 Ų10262.8 Ų62.848%0.47736%0.358SS..EExtended strand (participates in β ladder)trans-105.8130.5179.1-56.5-159.9144.500110.6L108 R110L108-E121 HydrophobicContact CD1-CB 4.12Å; R110-E121 HydrophobicContact CG-CG 4.24Å; R110-E121 IonicContact CZ-OE1 2.88Å; R110-E121 VanDerWaalsContact CZ-OE1 3.31Å; R110-E121 IonicContact NE-OE1 3.5Å; R110-E121 PolarHBondContact NE-OE1 3.02Å; R110-E121 IonicContact NH2-OE1 2.91Å; R110-E121 PolarHBondContact NH2-OE1 2.71Å
122I92.5Very high88.5Confident4 Ų465.3 Ų65.32%0.02137%0.366CS..EExtended strand (participates in β ladder)trans-123.9130.1177.7-53.3-176.6000108.1L109 V120 W153 L155 P158L109-I122 HydrophobicContact CB-CB 4.26Å; L109-I122 HydrophobicContact CD2-CB 4.33Å; L109-I122 HydrophobicContact CD2-CD1 4.13Å; L109-I122 HydrophobicContact CD2-CG1 4.39Å; L109-I122 PolarHBondContact N-O 3.21Å; L109-I122 PolarHBondContact O-N 2.92Å; V120-I122 HydrophobicContact CG1-CG1 4.5Å; I122-W153 HydrophobicContact CG2-CD2 3.72Å; I122-W153 HydrophobicContact CG2-CE3 3.42Å; I122-W153 VanDerWaalsContact CG2-CE3 3.42Å; I122-W153 HydrophobicContact CG2-CG 4.39Å; I122-W153 HydrophobicContact CG2-CH2 4.08Å; I122-W153 HydrophobicContact CG2-CZ2 4.37Å; I122-W153 HydrophobicContact CG2-CZ3 3.59Å; I122-L155 HydrophobicContact CD1-CD2 4.2Å; I122-P158 HydrophobicContact CD1-CB 3.61Å; I122-P158 HydrophobicContact CG1-CB 3.6Å
123N92.9Very high88.6Confident116 Ų11664 Ų6462%0.6236%0.363SS*.EExtended strand (participates in β ladder)trans-93.5100.5176.2-170-20.9000110.7G125 W153N123-G125 PolarHBondContact O-N 2.98Å; N123-G125 PolarHBondContact OD1-N 3.31Å; N123-W153 WeakPolarHBondContact O-CH2 3.24Å
124A89.4Confident88.8Confident0 Ų059 Ų590%034%0.342CS..  trans-77.2-1.2179.800000114G107 V128 T143 N148 K151 W153G107-A124 WeakPolarHBondContact O-CB 3.39Å; G107-A124 PolarHBondContact O-N 3.08Å; A124-V128 HydrophobicContact CB-CG2 4.13Å; A124-T143 HydrophobicContact CB-CG2 3.88Å; A124-N148 PolarHBondContact O-ND2 3.29Å; A124-N148 PolarHBondContact O-OD1 2.82Å; A124-K151 PolarHBondContact O-NZ 3.03Å; A124-W153 HydrophobicContact CB-CZ2 4.45Å
125G88.4Confident89.1Confident16 Ų1655.3 Ų55.317%0.16533%0.331CS..  trans90168.9-173.100000112.7G107 N123 V128 N148G107-G125 WeakPolarHBondContact CA-O 3.45Å; N123-G125 PolarHBondContact O-N 2.98Å; N123-G125 PolarHBondContact OD1-N 3.31Å; G125-V128 WeakPolarHBondContact O-CG2 3.48Å; G125-N148 PolarHBondContact O-ND2 2.89Å
126T89.8Confident89.7Confident95 Ų9554.2 Ų54.258%0.58331%0.308SS*.SBendtrans-74.2159.3-170.3540000113.5V128 N148T126-V128 PolarHBondContact O-N 2.96Å; T126-N148 WeakPolarHBondContact O-CB 3.45Å; T126-N148 PolarHBondContact O-ND2 2.89Å
127N92.3Very high90.2Very high80 Ų8056 Ų5643%0.42831%0.311SS..SBendtrans53.544.1172.3-58.1-38.4000114.6E105 C129 G145 K146E105-N127 CarbonylContact O-C 3.56Å; E105-N127 VanDerWaalsContact O-CA 3.26Å; E105-N127 WeakPolarHBondContact O-CA 3.46Å; E105-N127 PolarHBondContact O-N 3.45Å; N127-C129 PolarHBondContact O-N 3.13Å; N127-G145 WeakPolarHBondContact O-CA 3.46Å; N127-K146 HydrophobicContact CB-CB 4.22Å; N127-K146 PolarHBondContact O-N 2.92Å; N127-K146 VanDerWaalsContact O-N 3.08Å
128V94.9Very high90.8Very high1 Ų153.5 Ų53.51%0.00629%0.286CS..EExtended strand (participates in β ladder)trans-62.7129.7174.3176.50000108.5T91 E105 A124 G125 T126T91-V128 HydrophobicContact CG2-CG1 4.48Å; T91-V128 WeakPolarHBondContact CG2-O 3.38Å; E105-V128 PolarHBondContact O-N 3.44Å; A124-V128 HydrophobicContact CB-CG2 4.13Å; G125-V128 WeakPolarHBondContact O-CG2 3.48Å; T126-V128 PolarHBondContact O-N 2.96Å
129C94.6Very high91.2Very high28 Ų2851.2 Ų51.219%0.18927%0.274CS..EExtended strand (participates in β ladder)trans-95.8-35.1179.2-78.80000111.9N127 G144 V181 R182N127-C129 PolarHBondContact O-N 3.13Å; C129-G144 PolarHBondContact N-O 3.24Å; C129-V181 WeakPolarHBondContact CB-O 3.41Å; C129-R182 PolarHBondContact SG-NH1 2.93Å
130R95.2Very high91.5Very high49 Ų4950.3 Ų50.319%0.18527%0.266CS..EExtended strand (participates in β ladder)trans-151.6146.4-178.4-159.482.3176.9174-1.4111.6T91 R132 G144 D183T91-R130 WeakPolarHBondContact O-CA 3.24Å; T91-R130 WeakPolarHBondContact O-CD 3.43Å; R130-R132 HydrophobicContact CG-CG 4.36Å; R130-R132 VanDerWaalsContact NH2-NH2 3.13Å; R130-G144 PolarHBondContact N-O 3Å; R130-G144 PolarHBondContact O-N 3.22Å; R130-D183 VanDerWaalsContact CG-OD1 3.3Å; R130-D183 WeakPolarHBondContact CG-OD1 3.06Å; R130-D183 IonicContact NE-OD1 3.28Å
131M95.8Very high91.7Very high4 Ų448.2 Ų48.22%0.0225%0.253CS..EExtended strand (participates in β ladder)trans-123.8140165.6-177.2-81.3-49.900109.9T91 G92 A94 I101 C103 L109 V141 A142 T143T91-M131 PolarHBondContact O-N 2.89Å; G92-M131 WeakPolarHBondContact O-CE 3.25Å; A94-M131 HydrophobicContact CB-CE 4.4Å; I101-M131 HydrophobicContact CG2-CE 4.46Å; C103-M131 HydrophobicContact CB-CB 3.55Å; C103-M131 HydrophobicContact CB-CE 4.13Å; C103-M131 HydrophobicContact CB-CG 3.77Å; L109-M131 HydrophobicContact CD1-CG 4.01Å; M131-V141 HydrophobicContact SD-CB 4.21Å; M131-V141 HydrophobicContact SD-CG1 4.22Å; M131-A142 VanDerWaalsContact CA-O 3.27Å; M131-A142 WeakPolarHBondContact CA-O 3.3Å; M131-T143 HydrophobicContact CB-CG2 4.3Å; M131-T143 HydrophobicContact CG-CG2 3.92Å
132R95.3Very high91.9Very high66 Ų6643.3 Ų43.325%0.24923%0.23CC..EExtended strand (participates in β ladder)trans-137.8143.6175.6-64.9-68.9-167.8165.54.9109.9R130 V141 A142 D183 M184 F186R130-R132 HydrophobicContact CG-CG 4.36Å; R130-R132 VanDerWaalsContact NH2-NH2 3.13Å; R132-V141 CarbonylContact O-C 3.49Å; R132-V141 WeakPolarHBondContact O-CA 3.49Å; R132-A142 PolarHBondContact N-O 2.99Å; R132-A142 PolarHBondContact O-N 2.86Å; R132-D183 IonicContact CZ-OD1 3.31Å; R132-D183 IonicContact NE-OD1 3.72Å; R132-D183 PolarHBondContact NE-OD1 3.49Å; R132-D183 IonicContact NH2-OD1 2.78Å; R132-D183 PolarHBondContact NH2-OD1 3.08Å; R132-D183 IonicContact NH2-OD2 2.95Å; R132-D183 PolarHBondContact NH2-OD2 3.34Å; R132-M184 HydrophobicContact CB-CG 4.29Å; R132-M184 HydrophobicContact CG-CG 3.92Å; R132-M184 VanDerWaalsContact CG-O 3.31Å; R132-M184 WeakPolarHBondContact CG-O 3.45Å; R132-F186 WeakPolarHBondContact O-CE2 3.48Å
133Q94.1Very high92.1Very high37 Ų3743.1 Ų43.117%0.17323%0.229CC..EExtended strand (participates in β ladder)trans-87.7148.9171.7-170.2-178.334.400110A94 V95 T96 R138 V141 F186A94-Q133 HydrophobicContact CB-CB 3.76Å; A94-Q133 HydrophobicContact CB-CG 4.36Å; V95-Q133 PolarHBondContact O-NE2 2.79Å; V95-Q133 PolarHBondContact O-OE1 3.07Å; T96-Q133 PolarHBondContact OG1-NE2 2.87Å; Q133-R138 PolarHBondContact NE2-O 3.43Å; Q133-V141 HydrophobicContact CB-CG1 4.44Å; Q133-V141 HydrophobicContact CG-CG1 4.4Å; Q133-F186 WeakPolarHBondContact O-CD2 3.34Å
134N92.7Very high92.2Very high5 Ų537.6 Ų37.63%0.02720%0.2CC..  trans-73.4122.2170.3-177.2-14.1000109.1S136 Q137 Q140 F186N134-S136 VanDerWaalsContact C-N 3.3Å; N134-S136 PolarHBondContact O-N 3.12Å; N134-S136 PolarHBondContact OD1-N 3.37Å; N134-Q137 HydrophobicContact CB-CB 4.49Å; N134-Q137 WeakPolarHBondContact CB-O 3.39Å; N134-Q137 CarbonylContact O-C 3.52Å; N134-Q137 VanDerWaalsContact O-C 3.32Å; N134-Q137 PolarHBondContact O-N 3.23Å; N134-Q137 PolarHBondContact OD1-N 2.87Å; N134-Q140 HydrophobicContact CB-CB 3.95Å; N134-Q140 PolarHBondContact N-O 3.25Å; N134-Q140 PolarHBondContact ND2-OE1 3.15Å; N134-F186 HydrophobicContact CB-CD1 3.82Å; N134-F186 HydrophobicContact CB-CD2 3.99Å; N134-F186 HydrophobicContact CB-CE1 3.79Å; N134-F186 HydrophobicContact CB-CE2 3.96Å; N134-F186 HydrophobicContact CB-CG 3.91Å; N134-F186 HydrophobicContact CB-CZ 3.85Å
135P87.4Confident92.5Very high74 Ų7437.6 Ų37.648%0.48120%0.2SC..SBendtrans-66.4-30-179.226.8-33.9000113
136S87.4Confident92.8Very high70 Ų7041.7 Ų41.749%0.4921%0.213SC..SBendtrans-84.3-29.9179.8-56.70000112.5N134N134-S136 VanDerWaalsContact C-N 3.3Å; N134-S136 PolarHBondContact O-N 3.12Å; N134-S136 PolarHBondContact OD1-N 3.37Å
137Q88.3Confident92.9Very high87 Ų8741.7 Ų41.741%0.40721%0.206SC..  trans-129.591.4179.6-64.4-178.59.200109.9N134 N139 Q140N134-Q137 HydrophobicContact CB-CB 4.49Å; N134-Q137 WeakPolarHBondContact CB-O 3.39Å; N134-Q137 CarbonylContact O-C 3.52Å; N134-Q137 VanDerWaalsContact O-C 3.32Å; N134-Q137 PolarHBondContact O-N 3.23Å; N134-Q137 PolarHBondContact OD1-N 2.87Å; Q137-N139 PolarHBondContact O-N 2.83Å; Q137-Q140 HydrophobicContact CB-CG 4.32Å; Q137-Q140 PolarHBondContact O-N 3.44Å
138R87.6Confident92.9Very high84 Ų8438.2 Ų38.232%0.31719%0.188SC..THydrogen-bonded Turntrans-60.4-17.1-175.2-66.5-172.9-175.5-87.97.4114.3E52 T96 Q133 Q140E52-R138 IonicContact OE2-NH2 2.99Å; E52-R138 PolarHBondContact OE2-NH2 2.88Å; T96-R138 HydrophobicContact CG2-CB 4.22Å; T96-R138 PolarHBondContact OG1-O 3.27Å; Q133-R138 PolarHBondContact NE2-O 3.43Å; R138-Q140 VanDerWaalsContact C-N 3.28Å; R138-Q140 PolarHBondContact O-N 3.01Å
139N88.8Confident92.9Very high59 Ų5938.6 Ų38.632%0.31619%0.192SC..THydrogen-bonded Turntrans-81.9-3.9176.3-62.6-9000113.3Q137 L155 E156Q137-N139 PolarHBondContact O-N 2.83Å; N139-L155 WeakPolarHBondContact O-CB 3.47Å; N139-L155 VanDerWaalsContact O-CG 3.23Å; N139-L155 WeakPolarHBondContact O-CG 3.33Å; N139-L155 PolarHBondContact O-N 3.08Å; N139-E156 PolarHBondContact ND2-OE1 2.92Å
140Q92.4Very high92.9Very high35 Ų3537.2 Ų37.216%0.16418%0.183CC..EExtended strand (participates in β ladder)trans-107.9136.7177.4-67.9-174.6-6.600112.4N134 Q137 R138 V152 W153 I162N134-Q140 HydrophobicContact CB-CB 3.95Å; N134-Q140 PolarHBondContact N-O 3.25Å; N134-Q140 PolarHBondContact ND2-OE1 3.15Å; Q137-Q140 HydrophobicContact CB-CG 4.32Å; Q137-Q140 PolarHBondContact O-N 3.44Å; R138-Q140 VanDerWaalsContact C-N 3.28Å; R138-Q140 PolarHBondContact O-N 3.01Å; Q140-V152 HydrophobicContact CB-CG1 4.5Å; Q140-W153 WeakPolarHBondContact CA-O 3.31Å; Q140-I162 HydrophobicContact CG-CD1 4.02Å
141V94.8Very high92.9Very high0 Ų036.8 Ų36.80%018%0.182CC..EExtended strand (participates in β ladder)trans-131.3134.1177.2-630000111I101 L109 M131 R132 Q133 V152 W153 L155I101-V141 HydrophobicContact CD1-CG1 4.2Å; I101-V141 HydrophobicContact CG2-CG1 4.46Å; L109-V141 HydrophobicContact CD1-CB 4.41Å; L109-V141 HydrophobicContact CD1-CG2 3.64Å; M131-V141 HydrophobicContact SD-CB 4.21Å; M131-V141 HydrophobicContact SD-CG1 4.22Å; R132-V141 CarbonylContact O-C 3.49Å; R132-V141 WeakPolarHBondContact O-CA 3.49Å; Q133-V141 HydrophobicContact CB-CG1 4.44Å; Q133-V141 HydrophobicContact CG-CG1 4.4Å; V141-V152 CarbonylContact O-C 3.51Å; V141-V152 WeakPolarHBondContact O-CA 3.19Å; V141-W153 HydrophobicContact CG2-CB 3.79Å; V141-W153 PolarHBondContact N-O 3.26Å; V141-W153 PolarHBondContact O-N 3.05Å; V141-L155 HydrophobicContact CG1-CD1 4.2Å; V141-L155 HydrophobicContact CG1-CD2 4.2Å; V141-L155 HydrophobicContact CG1-CG 4.37Å; V141-L155 HydrophobicContact CG2-CD2 3.78Å; V141-L155 HydrophobicContact CG2-CG 4.48Å
142A95.6Very high92.9Very high0 Ų036.7 Ų36.70%018%0.182CC..EExtended strand (participates in β ladder)trans-99140.9172.400000110.7M131 R132 L150 K151 M184 F186M131-A142 VanDerWaalsContact CA-O 3.27Å; M131-A142 WeakPolarHBondContact CA-O 3.3Å; R132-A142 PolarHBondContact N-O 2.99Å; R132-A142 PolarHBondContact O-N 2.86Å; A142-L150 HydrophobicContact CB-CD1 3.9Å; A142-K151 CarbonylContact C-O 3.55Å; A142-K151 WeakPolarHBondContact CA-O 3.15Å; A142-M184 HydrophobicContact CB-CG 4.5Å; A142-M184 HydrophobicContact CB-SD 3.57Å; A142-M184 VanDerWaalsContact CB-SD 3.57Å; A142-F186 HydrophobicContact CB-CE1 4.41Å; A142-F186 HydrophobicContact CB-CE2 3.44Å; A142-F186 VanDerWaalsContact CB-CE2 3.44Å; A142-F186 HydrophobicContact CB-CZ 3.38Å
143T96.6Very high92.8Very high0 Ų034.3 Ų34.30%017%0.173CC..EExtended strand (participates in β ladder)trans-132.6149.6177.758.80000109.5L109 A124 M131 L150 K151 W153L109-T143 HydrophobicContact CD1-CG2 3.95Å; A124-T143 HydrophobicContact CB-CG2 3.88Å; M131-T143 HydrophobicContact CB-CG2 4.3Å; M131-T143 HydrophobicContact CG-CG2 3.92Å; T143-L150 WeakPolarHBondContact O-CA 3.13Å; T143-K151 PolarHBondContact N-O 3.43Å; T143-K151 PolarHBondContact O-N 3.27Å; T143-K151 PolarHBondContact OG1-O 2.9Å; T143-W153 PolarHBondContact OG1-NE1 2.67Å; T143-W153 VanDerWaalsContact OG1-NE1 3.09Å
144G95.6Very high92.8Very high0 Ų033.8 Ų33.80%017%0.171CC..EExtended strand (participates in β ladder)trans-172.4161.117300000111.9C129 R130 M184C129-G144 PolarHBondContact N-O 3.24Å; R130-G144 PolarHBondContact N-O 3Å; R130-G144 PolarHBondContact O-N 3.22Å; G144-M184 VanDerWaalsContact CA-CE 3.48Å
145G95.2Very high92.6Very high0 Ų034.8 Ų34.80%018%0.176CC..EExtended strand (participates in β ladder)trans-166.5-161.4-166.300000115.1N127 N148 W180 V181N127-G145 WeakPolarHBondContact O-CA 3.46Å; G145-N148 CarbonylContact C-O 3.59Å; G145-N148 PolarHBondContact N-O 2.9Å; G145-N148 VanDerWaalsContact O-O 3.1Å; G145-W180 WeakPolarHBondContact O-CA 3.4Å; G145-V181 WeakPolarHBondContact CA-O 3.46Å; G145-V181 PolarHBondContact O-N 2.63Å
146K94.6Very high92.6Very high102 Ų10237.5 Ų37.544%0.44318%0.183SC..BIsolated β-bridgetrans-82.9121176.8-171.5178.9179.6-178.70109.6N127 N148 W180N127-K146 HydrophobicContact CB-CB 4.22Å; N127-K146 PolarHBondContact O-N 2.92Å; N127-K146 VanDerWaalsContact O-N 3.08Å; K146-N148 PolarHBondContact O-N 3.21Å; K146-N148 VanDerWaalsContact O-N 3.13Å; K146-W180 HydrophobicContact CB-CG 4.18Å; K146-W180 HydrophobicContact CD-CD2 4.42Å; K146-W180 HydrophobicContact CD-CZ2 4.46Å; K146-W180 HydrophobicContact CG-CD2 4.22Å; K146-W180 HydrophobicContact CG-CG 4.08Å
147E92.6Very high92.7Very high94 Ų9442.8 Ų42.844%0.43919%0.192SC..THydrogen-bonded Turntrans56.419.3-170.7-60.8-60.1145.500113.7R176 E179E147-R176 IonicContact OE1-NH1 3.19Å; E147-R176 IonicContact OE2-CZ 3.24Å; E147-R176 IonicContact OE2-NH1 3.13Å; E147-R176 PolarHBondContact OE2-NH1 2.9Å; E147-R176 IonicContact OE2-NH2 3.08Å; E147-R176 PolarHBondContact OE2-NH2 2.87Å; E147-E179 WeakPolarHBondContact CA-O 3.48Å; E147-E179 PolarHBondContact N-O 3.38Å; E147-E179 PolarHBondContact OE1-N 3.43Å
148N92.6Very high92.5Very high8 Ų840.6 Ų40.64%0.04319%0.185CC..EExtended strand (participates in β ladder)trans-129.9100.6177.4-170.410.3000107.5A124 G125 T126 G145 K146 K151A124-N148 PolarHBondContact O-ND2 3.29Å; A124-N148 PolarHBondContact O-OD1 2.82Å; G125-N148 PolarHBondContact O-ND2 2.89Å; T126-N148 WeakPolarHBondContact O-CB 3.45Å; T126-N148 PolarHBondContact O-ND2 2.89Å; G145-N148 CarbonylContact C-O 3.59Å; G145-N148 PolarHBondContact N-O 2.9Å; G145-N148 VanDerWaalsContact O-O 3.1Å; K146-N148 PolarHBondContact O-N 3.21Å; K146-N148 VanDerWaalsContact O-N 3.13Å; N148-K151 WeakPolarHBondContact OD1-CE 3.49Å; N148-K151 PolarHBondContact OD1-NZ 2.91Å
149G93.2Very high92.4Very high8 Ų845.2 Ų45.28%0.08221%0.21CC..EExtended strand (participates in β ladder)trans-62.1177.2-179.500000113.5K151 S165 E179G149-K151 PolarHBondContact O-N 3.25Å; G149-S165 WeakPolarHBondContact CA-OG 3.39Å; G149-E179 WeakPolarHBondContact CA-OE2 3.46Å; G149-E179 PolarHBondContact N-OE2 3.42Å
150L95.4Very high92.4Very high0 Ų047 Ų470%022%0.224CC..EExtended strand (participates in β ladder)trans-62.9121175.2175.267.3000109.9A142 T143 F163 T164 S165 M184 I193 T195 Y205A142-L150 HydrophobicContact CB-CD1 3.9Å; T143-L150 WeakPolarHBondContact O-CA 3.13Å; L150-F163 HydrophobicContact CD2-CE1 4.26Å; L150-T164 WeakPolarHBondContact O-CA 3.31Å; L150-S165 PolarHBondContact N-OG 2.82Å; L150-S165 PolarHBondContact O-N 3.2Å; L150-S165 PolarHBondContact O-OG 3.28Å; L150-M184 HydrophobicContact CD1-CE 4.22Å; L150-M184 HydrophobicContact CD1-SD 3.67Å; L150-I193 HydrophobicContact CD1-CG2 4.05Å; L150-I193 HydrophobicContact CD2-CB 3.89Å; L150-I193 HydrophobicContact CD2-CD1 4.03Å; L150-I193 HydrophobicContact CD2-CG2 3.71Å; L150-T195 HydrophobicContact CB-CG2 4.28Å; L150-T195 HydrophobicContact CD1-CG2 4.21Å; L150-T195 HydrophobicContact CD2-CG2 3.95Å; L150-T195 HydrophobicContact CG-CG2 4.38Å; L150-Y205 HydrophobicContact CD2-CD2 3.64Å; L150-Y205 HydrophobicContact CD2-CE2 4.37Å; L150-Y205 HydrophobicContact CD2-CG 3.93Å
151K95.4Very high92.4Very high39 Ų3947.2 Ų47.217%0.1723%0.228CC..EExtended strand (participates in β ladder)trans-120.9135.7169.9-63.8173.8-171.9163.80109.8A124 A142 T143 N148 G149 W153 P161 F163 T164A124-K151 PolarHBondContact O-NZ 3.03Å; A142-K151 CarbonylContact C-O 3.55Å; A142-K151 WeakPolarHBondContact CA-O 3.15Å; T143-K151 PolarHBondContact N-O 3.43Å; T143-K151 PolarHBondContact O-N 3.27Å; T143-K151 PolarHBondContact OG1-O 2.9Å; N148-K151 WeakPolarHBondContact OD1-CE 3.49Å; N148-K151 PolarHBondContact OD1-NZ 2.91Å; G149-K151 PolarHBondContact O-N 3.25Å; K151-W153 HydrophobicContact CD-CZ2 3.95Å; K151-P161 HydrophobicContact CB-CB 4.47Å; K151-F163 CarbonylContact C-O 3.59Å; K151-F163 VanDerWaalsContact CA-O 3.28Å; K151-F163 WeakPolarHBondContact CA-O 3.34Å; K151-T164 HydrophobicContact CG-CG2 4.15Å
152V94.9Very high92.3Very high3 Ų351.3 Ų51.32%0.01825%0.249CC..EExtended strand (participates in β ladder)trans-110.1128.8173.7-1740000108Q140 V141 P161 I162 F163 F186 I193Q140-V152 HydrophobicContact CB-CG1 4.5Å; V141-V152 CarbonylContact O-C 3.51Å; V141-V152 WeakPolarHBondContact O-CA 3.19Å; V152-P161 CarbonylContact O-C 3.49Å; V152-P161 WeakPolarHBondContact O-CA 3.39Å; V152-P161 WeakPolarHBondContact O-CB 3.49Å; V152-I162 HydrophobicContact CG1-CD1 4.3Å; V152-I162 PolarHBondContact O-N 2.78Å; V152-F163 HydrophobicContact CB-CB 4.01Å; V152-F163 HydrophobicContact CG2-CB 4.02Å; V152-F163 HydrophobicContact CG2-CD1 4.28Å; V152-F163 PolarHBondContact N-O 3.08Å; V152-F163 PolarHBondContact O-N 2.81Å; V152-F186 HydrophobicContact CG1-CZ 4.47Å; V152-I193 HydrophobicContact CG2-CD1 3.34Å
153W94.5Very high92.2Very high15 Ų1551.7 Ų51.76%0.05725%0.251CS..EExtended strand (participates in β ladder)trans-115.4141.3-177.6-59.890.1000109.8I122 N123 A124 Q140 V141 T143 K151 P161I122-W153 HydrophobicContact CG2-CD2 3.72Å; I122-W153 HydrophobicContact CG2-CE3 3.42Å; I122-W153 VanDerWaalsContact CG2-CE3 3.42Å; I122-W153 HydrophobicContact CG2-CG 4.39Å; I122-W153 HydrophobicContact CG2-CH2 4.08Å; I122-W153 HydrophobicContact CG2-CZ2 4.37Å; I122-W153 HydrophobicContact CG2-CZ3 3.59Å; N123-W153 WeakPolarHBondContact O-CH2 3.24Å; A124-W153 HydrophobicContact CB-CZ2 4.45Å; Q140-W153 WeakPolarHBondContact CA-O 3.31Å; V141-W153 HydrophobicContact CG2-CB 3.79Å; V141-W153 PolarHBondContact N-O 3.26Å; V141-W153 PolarHBondContact O-N 3.05Å; T143-W153 PolarHBondContact OG1-NE1 2.67Å; T143-W153 VanDerWaalsContact OG1-NE1 3.09Å; K151-W153 HydrophobicContact CD-CZ2 3.95Å; W153-P161 HydrophobicContact CD2-CB 3.97Å; W153-P161 HydrophobicContact CE3-CB 3.96Å; W153-P161 HydrophobicContact CH2-CB 4.08Å; W153-P161 HydrophobicContact CH2-CG 4.08Å; W153-P161 HydrophobicContact CZ2-CB 4.05Å; W153-P161 HydrophobicContact CZ2-CG 4.32Å; W153-P161 HydrophobicContact CZ3-CB 4.03Å; W153-P161 HydrophobicContact CZ3-CG 4.27Å
154D92.4Very high92.1Very high27 Ų2753.8 Ų53.814%0.14426%0.263CS..EExtended strand (participates in β ladder)trans-93127.6164.7-162.8-18000108.3E156 R157 I162D154-E156 VanDerWaalsContact C-N 3.26Å; D154-E156 PolarHBondContact O-N 3.14Å; D154-E156 PolarHBondContact OD1-N 3.24Å; D154-E156 VanDerWaalsContact OD1-N 3.08Å; D154-R157 HydrophobicContact CB-CB 4.21Å; D154-R157 CarbonylContact O-C 3.54Å; D154-R157 VanDerWaalsContact O-C 3.26Å; D154-R157 PolarHBondContact O-N 3.1Å; D154-I162 HydrophobicContact CB-CD1 3.62Å; D154-I162 HydrophobicContact CB-CG1 3.92Å
155L89.2Confident92Very high25 Ų2554.3 Ų54.313%0.13127%0.267CS..SBendtrans-72.3-23.4177.7-59.8177.4000112I101 L109 V111 I122 N139 V141 R157I101-L155 HydrophobicContact CD1-CD1 3.36Å; I101-L155 HydrophobicContact CG1-CD1 3.92Å; L109-L155 HydrophobicContact CD2-CD2 4.1Å; V111-L155 HydrophobicContact CG2-CD2 3.74Å; I122-L155 HydrophobicContact CD1-CD2 4.2Å; N139-L155 WeakPolarHBondContact O-CB 3.47Å; N139-L155 VanDerWaalsContact O-CG 3.23Å; N139-L155 WeakPolarHBondContact O-CG 3.33Å; N139-L155 PolarHBondContact O-N 3.08Å; V141-L155 HydrophobicContact CG1-CD1 4.2Å; V141-L155 HydrophobicContact CG1-CD2 4.2Å; V141-L155 HydrophobicContact CG1-CG 4.37Å; V141-L155 HydrophobicContact CG2-CD2 3.78Å; V141-L155 HydrophobicContact CG2-CG 4.48Å; L155-R157 VanDerWaalsContact C-N 3.33Å
156E87.8Confident91.8Very high132 Ų13260.4 Ų60.462%0.61729%0.294SS*.SBendtrans-74.9-26.7174-64.9-179.2-16700112.1N139 D154 P158N139-E156 PolarHBondContact ND2-OE1 2.92Å; D154-E156 VanDerWaalsContact C-N 3.26Å; D154-E156 PolarHBondContact O-N 3.14Å; D154-E156 PolarHBondContact OD1-N 3.24Å; D154-E156 VanDerWaalsContact OD1-N 3.08Å; E156-P158 WeakPolarHBondContact O-CD 3.12Å
157R88.5Confident91.6Very high180 Ų18056.6 Ų56.668%0.67928%0.278SS*.  trans-127.673.7-176.6-58-177.5-167.1-174.94.6110.6D154 L155 E159D154-R157 HydrophobicContact CB-CB 4.21Å; D154-R157 CarbonylContact O-C 3.54Å; D154-R157 VanDerWaalsContact O-C 3.26Å; D154-R157 PolarHBondContact O-N 3.1Å; L155-R157 VanDerWaalsContact C-N 3.33Å; R157-E159 PolarHBondContact O-N 2.83Å
158P85.1Confident91.5Very high42 Ų4253.2 Ų53.227%0.27326%0.264SS..THydrogen-bonded Turntrans-70-13.9-170.727.8-36.2000114.7V120 I122 E156 T160V120-P158 HydrophobicContact CG1-CB 3.98Å; V120-P158 HydrophobicContact CG1-CG 4Å; I122-P158 HydrophobicContact CD1-CB 3.61Å; I122-P158 HydrophobicContact CG1-CB 3.6Å; E156-P158 WeakPolarHBondContact O-CD 3.12Å; P158-T160 PolarHBondContact O-N 2.79Å
159E85.1Confident91.4Very high180 Ų18062 Ų6284%0.84130%0.296SS*.THydrogen-bonded Turntrans-69.2-35.3-171.6-62.2-173171.700113.6R157R157-E159 PolarHBondContact O-N 2.83Å
160T89.4Confident91.4Very high97 Ų9765.1 Ų65.160%0.59531%0.312SS*.SBendtrans-139.4141.1-176.560.40000111.7P158P158-T160 PolarHBondContact O-N 2.79Å
161P92Very high91Very high40 Ų4069 Ų6926%0.2633%0.332SS..  trans-70136.6175.329.1-32.8000110.1K151 V152 W153 F163 T164K151-P161 HydrophobicContact CB-CB 4.47Å; V152-P161 CarbonylContact O-C 3.49Å; V152-P161 WeakPolarHBondContact O-CA 3.39Å; V152-P161 WeakPolarHBondContact O-CB 3.49Å; W153-P161 HydrophobicContact CD2-CB 3.97Å; W153-P161 HydrophobicContact CE3-CB 3.96Å; W153-P161 HydrophobicContact CH2-CB 4.08Å; W153-P161 HydrophobicContact CH2-CG 4.08Å; W153-P161 HydrophobicContact CZ2-CB 4.05Å; W153-P161 HydrophobicContact CZ2-CG 4.32Å; W153-P161 HydrophobicContact CZ3-CB 4.03Å; W153-P161 HydrophobicContact CZ3-CG 4.27Å; P161-F163 PolarHBondContact O-N 2.88Å; P161-T164 WeakPolarHBondContact CG-OG1 3.27Å
162I92.3Very high90.8Very high86 Ų8677.8 Ų77.844%0.44136%0.364SS..SBendtrans-56.9-44.4173-61162.1000109.8Q140 V152 D154Q140-I162 HydrophobicContact CG-CD1 4.02Å; V152-I162 HydrophobicContact CG1-CD1 4.3Å; V152-I162 PolarHBondContact O-N 2.78Å; D154-I162 HydrophobicContact CB-CD1 3.62Å; D154-I162 HydrophobicContact CB-CG1 3.92Å
163F93.5Very high90.7Very high8 Ų883.2 Ų83.24%0.03539%0.392CS..EExtended strand (participates in β ladder)trans-135.5142.2-176.6-178.6-97.1000110.6L150 K151 V152 P161 Y205 P207 R212L150-F163 HydrophobicContact CD2-CE1 4.26Å; K151-F163 CarbonylContact C-O 3.59Å; K151-F163 VanDerWaalsContact CA-O 3.28Å; K151-F163 WeakPolarHBondContact CA-O 3.34Å; V152-F163 HydrophobicContact CB-CB 4.01Å; V152-F163 HydrophobicContact CG2-CB 4.02Å; V152-F163 HydrophobicContact CG2-CD1 4.28Å; V152-F163 PolarHBondContact N-O 3.08Å; V152-F163 PolarHBondContact O-N 2.81Å; P161-F163 PolarHBondContact O-N 2.88Å; F163-Y205 HydrophobicContact CE1-CD1 4.35Å; F163-Y205 HydrophobicContact CE1-CG 4.47Å; F163-Y205 HydrophobicContact CZ-CD1 4.21Å; F163-P207 HydrophobicContact CB-CB 4.21Å; F163-P207 HydrophobicContact CD2-CB 4.1Å; F163-P207 HydrophobicContact CG-CB 4.13Å; F163-R212 HydrophobicContact CE2-CB 4.4Å; F163-R212 HydrophobicContact CE2-CG 4.17Å
164T94.2Very high90.4Very high43 Ų4388.2 Ų88.226%0.26442%0.421SS..EExtended strand (participates in β ladder)trans-137.1121.4170.6-61.80000107.8L150 K151 P161 R212L150-T164 WeakPolarHBondContact O-CA 3.31Å; K151-T164 HydrophobicContact CG-CG2 4.15Å; P161-T164 WeakPolarHBondContact CG-OG1 3.27Å; T164-R212 WeakPolarHBondContact O-CD 3.42Å
165S93.9Very high90.5Very high12 Ų1292.1 Ų92.18%0.08444%0.441CS..PPolyproline II helixtrans-63.9143.6177.865.20000110.6G149 L150 R212G149-S165 WeakPolarHBondContact CA-OG 3.39Å; L150-S165 PolarHBondContact N-OG 2.82Å; L150-S165 PolarHBondContact O-N 3.2Å; L150-S165 PolarHBondContact O-OG 3.28Å; S165-R212 WeakPolarHBondContact CA-O 3.44Å
166K92.2Very high90.6Very high127 Ų12797.3 Ų97.355%0.55246%0.459SS*.PPolyproline II helixtrans-101.8133.6167.1-172.2174-175.8173.70107.5R212 R213K166-R212 HydrophobicContact CB-CB 3.84Å; K166-R212 PolarHBondContact N-O 2.8Å; K166-R213 HydrophobicContact CB-CG 4.36Å
167N90.2Very high90.7Very high23 Ų2392.4 Ų92.412%0.12344%0.438CS..PPolyproline II helixtrans-56.7157176.3-162.817000111.8V177 R213N167-V177 PolarHBondContact ND2-O 2.91Å; N167-R213 PolarHBondContact O-NE 3.4Å
168V90.5Very high90.8Very high22 Ų2286.3 Ų86.313%0.13342%0.422CS..PPolyproline II helixtrans-59.7168.4174-65.70000111.1V177 P214V168-V177 HydrophobicContact CG2-CB 3.85Å; V168-V177 HydrophobicContact CG2-CG1 4.17Å; V168-V177 HydrophobicContact CG2-CG2 3.92Å; V168-P214 HydrophobicContact CG1-CG 3.62Å
169R90.3Very high91Very high192 Ų19284.9 Ų84.973%0.72541%0.411SS*.PPolyproline II helixtrans-62.1156.3172.3-70.1-173176129.81.5109.4
170N91.7Very high91.5Very high75 Ų7580.2 Ų80.240%0.40139%0.386SS..PPolyproline II helixtrans-56153.5169.6-65.9-7.6000110.2D174 L175N170-D174 WeakPolarHBondContact CB-OD1 3.44Å; N170-D174 PolarHBondContact ND2-O 2.74Å; N170-D174 PolarHBondContact ND2-OD1 2.94Å; N170-L175 VanDerWaalsContact CA-O 3.23Å; N170-L175 WeakPolarHBondContact CA-O 3.37Å; N170-L175 VanDerWaalsContact CB-O 3.3Å; N170-L175 WeakPolarHBondContact CB-O 3.24Å
171D88.8Confident91.8Very high80 Ų8075.7 Ų75.743%0.42836%0.358SS..  trans-71.3179.9178.5-164.411000111.4L173 D174 L175 V177D171-L173 PolarHBondContact O-N 2.78Å; D171-L173 VanDerWaalsContact O-N 3.07Å; D171-D174 WeakPolarHBondContact O-CA 3.43Å; D171-D174 PolarHBondContact O-N 2.92Å; D171-L175 PolarHBondContact N-O 3.1Å; D171-V177 HydrophobicContact CB-CG2 4.35Å
172W89.2Confident91.9Very high225 Ų22577.1 Ų77.185%0.85236%0.358SS*.THydrogen-bonded Turntrans-59.1-21.3-179.964.761.3000113.9D174W172-D174 VanDerWaalsContact C-N 3.25Å
173L93.5Very high92.1Very high116 Ų11673.2 Ų73.261%0.60734%0.338SS*.THydrogen-bonded Turntrans-85.56.5173.2-64.9177.9000113.1D171 L175D171-L173 PolarHBondContact O-N 2.78Å; D171-L173 VanDerWaalsContact O-N 3.07Å; L173-L175 HydrophobicContact CB-CD1 4.03Å; L173-L175 HydrophobicContact CB-CG 3.93Å; L173-L175 HydrophobicContact CD1-CD1 4.14Å; L173-L175 PolarHBondContact O-N 3.24Å
174D89.4Confident92.2Very high121 Ų12172.8 Ų72.865%0.64734%0.336SS*.SBendtrans55.828.8-170.7-158.520.1000113.7N170 D171 W172N170-D174 WeakPolarHBondContact CB-OD1 3.44Å; N170-D174 PolarHBondContact ND2-O 2.74Å; N170-D174 PolarHBondContact ND2-OD1 2.94Å; D171-D174 WeakPolarHBondContact O-CA 3.43Å; D171-D174 PolarHBondContact O-N 2.92Å; W172-D174 VanDerWaalsContact C-N 3.25Å
175L93Very high92.2Very high109 Ų10972 Ų7257%0.57133%0.333SS*.PPolyproline II helixtrans-92.9142.1175.2-64.7177.9000111.1N170 D171 L173 V177N170-L175 VanDerWaalsContact CA-O 3.23Å; N170-L175 WeakPolarHBondContact CA-O 3.37Å; N170-L175 VanDerWaalsContact CB-O 3.3Å; N170-L175 WeakPolarHBondContact CB-O 3.24Å; D171-L175 PolarHBondContact N-O 3.1Å; L173-L175 HydrophobicContact CB-CD1 4.03Å; L173-L175 HydrophobicContact CB-CG 3.93Å; L173-L175 HydrophobicContact CD1-CD1 4.14Å; L173-L175 PolarHBondContact O-N 3.24Å; L175-V177 PolarHBondContact O-N 3.43Å
176R91.4Very high92.2Very high133 Ų13371.8 Ų71.850%0.50233%0.33SS..PPolyproline II helixtrans-65.7123.8174.4178.7178.5175.7-86.95.8109.9E147E147-R176 IonicContact OE1-NH1 3.19Å; E147-R176 IonicContact OE2-CZ 3.24Å; E147-R176 IonicContact OE2-NH1 3.13Å; E147-R176 PolarHBondContact OE2-NH1 2.9Å; E147-R176 IonicContact OE2-NH2 3.08Å; E147-R176 PolarHBondContact OE2-NH2 2.87Å
177V90.1Very high92.2Very high29 Ų2966.3 Ų66.318%0.17631%0.307CS..PPolyproline II helixtrans-69.1124.3172.9-1770000109N167 V168 D171 L175N167-V177 PolarHBondContact ND2-O 2.91Å; V168-V177 HydrophobicContact CG2-CB 3.85Å; V168-V177 HydrophobicContact CG2-CG1 4.17Å; V168-V177 HydrophobicContact CG2-CG2 3.92Å; D171-V177 HydrophobicContact CB-CG2 4.35Å; L175-V177 PolarHBondContact O-N 3.43Å
178P90.3Very high92Very high53 Ų5367.3 Ų67.334%0.34432%0.315SS..PPolyproline II helixtrans-63.4143.2175.725.5-32.8000110.9H199P178-H199 WeakPolarHBondContact CG-NE2 3.5Å; P178-H199 PolarHBondContact O-CD2 2.96Å
179E89.9Confident91.5Very high11 Ų1172.5 Ų72.55%0.05134%0.342CS..  trans-109.8124.7179.4-172173.4-135.600109.2E147 G149 V181E147-E179 WeakPolarHBondContact CA-O 3.48Å; E147-E179 PolarHBondContact N-O 3.38Å; E147-E179 PolarHBondContact OE1-N 3.43Å; G149-E179 WeakPolarHBondContact CA-OE2 3.46Å; G149-E179 PolarHBondContact N-OE2 3.42Å; E179-V181 HydrophobicContact CG-CG2 4.36Å
180W94.7Very high91.1Very high83 Ų8365 Ų6531%0.31432%0.319SS..BIsolated β-bridgetrans-143.887.7178.3-170.41.6000110.5G145 K146 R182 T197 G198G145-W180 WeakPolarHBondContact O-CA 3.4Å; K146-W180 HydrophobicContact CB-CG 4.18Å; K146-W180 HydrophobicContact CD-CD2 4.42Å; K146-W180 HydrophobicContact CD-CZ2 4.46Å; K146-W180 HydrophobicContact CG-CD2 4.22Å; K146-W180 HydrophobicContact CG-CG 4.08Å; W180-R182 VanDerWaalsContact NE1-CD 3.27Å; W180-T197 CarbonylContact O-C 3.58Å; W180-T197 WeakPolarHBondContact O-CA 3.37Å; W180-T197 WeakPolarHBondContact O-CB 3.42Å; W180-G198 PolarHBondContact O-N 3.08Å
181V95.9Very high90.8Very high1 Ų165.5 Ų65.51%0.00632%0.321CS..EExtended strand (participates in β ladder)trans-76.6126.2177-175.50000109C129 G145 E179 M184 T195C129-V181 WeakPolarHBondContact CB-O 3.41Å; G145-V181 WeakPolarHBondContact CA-O 3.46Å; G145-V181 PolarHBondContact O-N 2.63Å; E179-V181 HydrophobicContact CG-CG2 4.36Å; V181-M184 HydrophobicContact CG1-CE 3.49Å; V181-M184 VanDerWaalsContact CG1-CE 3.49Å; V181-T195 HydrophobicContact CG1-CG2 4.28Å
182R95.5Very high90.9Very high70 Ų7065.7 Ų65.726%0.26432%0.318SS..EExtended strand (participates in β ladder)trans-104.7-41.6-175.1-71.5-64.4-54.4114.411113C129 W180 C196 L225C129-R182 PolarHBondContact SG-NH1 2.93Å; W180-R182 VanDerWaalsContact NE1-CD 3.27Å; R182-C196 PolarHBondContact N-O 2.79Å; R182-L225 WeakPolarHBondContact CB-O 3.47Å; R182-L225 WeakPolarHBondContact CG-O 3.28Å
183D95.4Very high91.2Very high4 Ų455 Ų552%0.02128%0.278CS..EExtended strand (participates in β ladder)trans-148.9165.3173.8-158.8-4.5000108.7R130 R132 C196 L228R130-D183 VanDerWaalsContact CG-OD1 3.3Å; R130-D183 WeakPolarHBondContact CG-OD1 3.06Å; R130-D183 IonicContact NE-OD1 3.28Å; R132-D183 IonicContact CZ-OD1 3.31Å; R132-D183 IonicContact NE-OD1 3.72Å; R132-D183 PolarHBondContact NE-OD1 3.49Å; R132-D183 IonicContact NH2-OD1 2.78Å; R132-D183 PolarHBondContact NH2-OD1 3.08Å; R132-D183 IonicContact NH2-OD2 2.95Å; R132-D183 PolarHBondContact NH2-OD2 3.34Å; D183-C196 VanDerWaalsContact CB-SG 3.5Å; D183-C196 PolarHBondContact N-SG 2.77Å; D183-C196 PolarHBondContact O-N 3.5Å; D183-C196 PolarHBondContact O-SG 2.8Å; D183-L228 HydrophobicContact CB-CB 4.08Å; D183-L228 PolarHBondContact OD2-N 3.2Å
184M95.8Very high91.3Very high0 Ų049.4 Ų49.40%025%0.249CC..EExtended strand (participates in β ladder)trans-152.5164.1-178.958.4-165.369.500110.6R132 A142 G144 L150 V181 V194 T195R132-M184 HydrophobicContact CB-CG 4.29Å; R132-M184 HydrophobicContact CG-CG 3.92Å; R132-M184 VanDerWaalsContact CG-O 3.31Å; R132-M184 WeakPolarHBondContact CG-O 3.45Å; A142-M184 HydrophobicContact CB-CG 4.5Å; A142-M184 HydrophobicContact CB-SD 3.57Å; A142-M184 VanDerWaalsContact CB-SD 3.57Å; G144-M184 VanDerWaalsContact CA-CE 3.48Å; L150-M184 HydrophobicContact CD1-CE 4.22Å; L150-M184 HydrophobicContact CD1-SD 3.67Å; V181-M184 HydrophobicContact CG1-CE 3.49Å; V181-M184 VanDerWaalsContact CG1-CE 3.49Å; M184-V194 CarbonylContact C-O 3.6Å; M184-V194 WeakPolarHBondContact CA-O 3.18Å; M184-V194 WeakPolarHBondContact CB-O 3Å; M184-T195 HydrophobicContact CB-CG2 4.05Å
185S95Very high91.6Very high27 Ų2743.7 Ų43.719%0.18922%0.218CC..EExtended strand (participates in β ladder)trans-156.4140.7173.4-163.90000110.2V194 L228 L230S185-V194 PolarHBondContact N-O 2.9Å; S185-V194 PolarHBondContact O-N 3.37Å; S185-L228 VanDerWaalsContact CB-CD2 3.43Å; S185-L230 WeakPolarHBondContact OG-CD1 3.5Å
186F94.2Very high91.8Very high7 Ų738.5 Ų38.53%0.03119%0.191CC..EExtended strand (participates in β ladder)trans-79132171-70.4-92.7000108.8R132 Q133 N134 A142 V152 P188 I193 L230R132-F186 WeakPolarHBondContact O-CE2 3.48Å; Q133-F186 WeakPolarHBondContact O-CD2 3.34Å; N134-F186 HydrophobicContact CB-CD1 3.82Å; N134-F186 HydrophobicContact CB-CD2 3.99Å; N134-F186 HydrophobicContact CB-CE1 3.79Å; N134-F186 HydrophobicContact CB-CE2 3.96Å; N134-F186 HydrophobicContact CB-CG 3.91Å; N134-F186 HydrophobicContact CB-CZ 3.85Å; A142-F186 HydrophobicContact CB-CE1 4.41Å; A142-F186 HydrophobicContact CB-CE2 3.44Å; A142-F186 VanDerWaalsContact CB-CE2 3.44Å; A142-F186 HydrophobicContact CB-CZ 3.38Å; V152-F186 HydrophobicContact CG1-CZ 4.47Å; F186-P188 WeakPolarHBondContact O-CD 3.26Å; F186-I193 HydrophobicContact CD1-CD1 3.93Å; F186-I193 HydrophobicContact CD1-CG1 3.65Å; F186-I193 HydrophobicContact CE1-CD1 3.48Å; F186-I193 VanDerWaalsContact CE1-CD1 3.48Å; F186-I193 HydrophobicContact CE1-CG1 3.77Å; F186-I193 HydrophobicContact CG-CG1 4.43Å; F186-I193 HydrophobicContact CZ-CD1 4.13Å; F186-L230 WeakPolarHBondContact O-CD1 3.05Å
187I91.9Very high91.9Very high11 Ų1132.2 Ų32.26%0.05617%0.167CC..PPolyproline II helixtrans-75.7118.7172.9-58.2177.3000107.6S190 K192 V194 L230 Q234 L251I187-S190 VanDerWaalsContact CB-OG 3.23Å; I187-S190 WeakPolarHBondContact CB-OG 3.47Å; I187-S190 VanDerWaalsContact CG2-OG 3.27Å; I187-S190 WeakPolarHBondContact CG2-OG 3.5Å; I187-S190 PolarHBondContact O-N 3.13Å; I187-S190 PolarHBondContact O-OG 3.31Å; I187-K192 HydrophobicContact CD1-CB 3.91Å; I187-K192 PolarHBondContact N-O 3.46Å; I187-V194 HydrophobicContact CD1-CG2 3.62Å; I187-V194 HydrophobicContact CG1-CG2 3.67Å; I187-L230 HydrophobicContact CB-CD1 4.26Å; I187-L230 HydrophobicContact CG1-CD1 3.78Å; I187-L230 HydrophobicContact CG1-CD2 4.46Å; I187-Q234 HydrophobicContact CG2-CB 4.06Å; I187-Q234 HydrophobicContact CG2-CG 4.47Å; I187-L251 HydrophobicContact CD1-CD1 3.68Å; I187-L251 HydrophobicContact CG1-CD1 4.36Å
188P84.9Confident92.1Very high44 Ų4431.1 Ų31.129%0.28616%0.162SC..THydrogen-bonded Turntrans-54.8144.7177.8-23.634.1000111.4F186 S190 Q234F186-P188 WeakPolarHBondContact O-CD 3.26Å; P188-S190 PolarHBondContact O-N 3.18Å; P188-Q234 VanDerWaalsContact O-CD 3.31Å
189D81.1Confident92.2Very high132 Ų13231.3 Ų31.371%0.70616%0.158SC*.THydrogen-bonded Turntrans62.90.6179.3-51.2-35.6000116.5Q234D189-Q234 PolarHBondContact OD2-NE2 3.25Å
190S81.6Confident92.4Very high35 Ų3533.7 Ų33.725%0.24517%0.169CC..SBendtrans-126145.2169.881.30000109.6I187 P188 K192I187-S190 VanDerWaalsContact CB-OG 3.23Å; I187-S190 WeakPolarHBondContact CB-OG 3.47Å; I187-S190 VanDerWaalsContact CG2-OG 3.27Å; I187-S190 WeakPolarHBondContact CG2-OG 3.5Å; I187-S190 PolarHBondContact O-N 3.13Å; I187-S190 PolarHBondContact O-OG 3.31Å; P188-S190 PolarHBondContact O-N 3.18Å; S190-K192 PolarHBondContact O-N 3.24Å; S190-K192 PolarHBondContact OG-N 3.44Å
191D84.8Confident92.3Very high84 Ų8430.8 Ų30.845%0.44916%0.159SC..SBendtrans-70.1-0.6176.2-67.7-33.7000112.8P207 A208D191-P207 WeakPolarHBondContact O-CD 3.28Å; D191-P207 VanDerWaalsContact O-CG 3.23Å; D191-P207 WeakPolarHBondContact O-CG 3.46Å; D191-A208 HydrophobicContact CB-CB 4.49Å
192K92.3Very high92.3Very high84 Ų8430.8 Ų30.837%0.36516%0.159SC..  trans-74.5147.5-174.5-65.6177-173.5174.70112.6I187 S190 V204 Y205 D206I187-K192 HydrophobicContact CD1-CB 3.91Å; I187-K192 PolarHBondContact N-O 3.46Å; S190-K192 PolarHBondContact O-N 3.24Å; S190-K192 PolarHBondContact OG-N 3.44Å; K192-V204 HydrophobicContact CB-CG1 4.24Å; K192-V204 HydrophobicContact CD-CG1 4.38Å; K192-Y205 CarbonylContact C-O 3.58Å; K192-Y205 VanDerWaalsContact CA-O 3.25Å; K192-Y205 WeakPolarHBondContact CA-O 3.35Å; K192-D206 HydrophobicContact CG-CB 4.22Å
193I94.9Very high92.3Very high0 Ų027.6 Ų27.60%015%0.147CC..EExtended strand (participates in β ladder)trans-125.1129.1-177.9-54.9173.3000109L150 V152 F186 T195 V204 Y205 P207L150-I193 HydrophobicContact CD1-CG2 4.05Å; L150-I193 HydrophobicContact CD2-CB 3.89Å; L150-I193 HydrophobicContact CD2-CD1 4.03Å; L150-I193 HydrophobicContact CD2-CG2 3.71Å; V152-I193 HydrophobicContact CG2-CD1 3.34Å; F186-I193 HydrophobicContact CD1-CD1 3.93Å; F186-I193 HydrophobicContact CD1-CG1 3.65Å; F186-I193 HydrophobicContact CE1-CD1 3.48Å; F186-I193 VanDerWaalsContact CE1-CD1 3.48Å; F186-I193 HydrophobicContact CE1-CG1 3.77Å; F186-I193 HydrophobicContact CG-CG1 4.43Å; F186-I193 HydrophobicContact CZ-CD1 4.13Å; I193-T195 HydrophobicContact CG2-CG2 4.36Å; I193-V204 CarbonylContact O-C 3.59Å; I193-V204 WeakPolarHBondContact O-CA 3.47Å; I193-Y205 PolarHBondContact N-O 3.13Å; I193-Y205 PolarHBondContact O-N 2.97Å; I193-P207 HydrophobicContact CD1-CG 3.79Å; I193-P207 HydrophobicContact CG1-CG 4.17Å
194V95.6Very high92.2Very high0 Ų027.9 Ų27.90%015%0.149CC..EExtended strand (participates in β ladder)trans-99.3137.1172.7-164.90000109.2M184 S185 I187 V202 R203 V204 L228 L230 V237 L251M184-V194 CarbonylContact C-O 3.6Å; M184-V194 WeakPolarHBondContact CA-O 3.18Å; M184-V194 WeakPolarHBondContact CB-O 3Å; S185-V194 PolarHBondContact N-O 2.9Å; S185-V194 PolarHBondContact O-N 3.37Å; I187-V194 HydrophobicContact CD1-CG2 3.62Å; I187-V194 HydrophobicContact CG1-CG2 3.67Å; V194-V202 HydrophobicContact CG1-CG1 3.52Å; V194-R203 WeakPolarHBondContact CA-O 3.29Å; V194-V204 HydrophobicContact CG1-CG2 4.35Å; V194-V204 HydrophobicContact CG2-CG2 4.25Å; V194-L228 HydrophobicContact CB-CD1 4.37Å; V194-L228 HydrophobicContact CG1-CD1 3.8Å; V194-L230 HydrophobicContact CG2-CD2 4.24Å; V194-V237 HydrophobicContact CG1-CG1 4.48Å; V194-V237 HydrophobicContact CG1-CG2 4.29Å; V194-L251 HydrophobicContact CG1-CD2 4.19Å; V194-L251 HydrophobicContact CG2-CD1 3.88Å; V194-L251 HydrophobicContact CG2-CD2 4.04Å
195T96.3Very high92.2Very high0 Ų027.9 Ų27.90%015%0.149CC..EExtended strand (participates in β ladder)trans-127.2144.7178.259.10000109.6L150 V181 M184 I193 V202 R203 Y205L150-T195 HydrophobicContact CB-CG2 4.28Å; L150-T195 HydrophobicContact CD1-CG2 4.21Å; L150-T195 HydrophobicContact CD2-CG2 3.95Å; L150-T195 HydrophobicContact CG-CG2 4.38Å; V181-T195 HydrophobicContact CG1-CG2 4.28Å; M184-T195 HydrophobicContact CB-CG2 4.05Å; I193-T195 HydrophobicContact CG2-CG2 4.36Å; T195-V202 WeakPolarHBondContact O-CA 3.1Å; T195-R203 PolarHBondContact N-O 3.47Å; T195-R203 PolarHBondContact O-N 2.92Å; T195-R203 WeakPolarHBondContact OG1-CB 3.41Å; T195-R203 PolarHBondContact OG1-O 2.97Å; T195-R203 VanDerWaalsContact OG1-O 3.05Å; T195-Y205 HydrophobicContact CG2-CD2 4.09Å; T195-Y205 HydrophobicContact CG2-CE2 4.09Å; T195-Y205 WeakPolarHBondContact OG1-CE2 3.08Å
196C95.3Very high92.1Very high0 Ų028.3 Ų28.30%015%0.149CC..EExtended strand (participates in β ladder)trans-110.3141.6167.968.70000110.2R182 D183 L225 L228R182-C196 PolarHBondContact N-O 2.79Å; D183-C196 VanDerWaalsContact CB-SG 3.5Å; D183-C196 PolarHBondContact N-SG 2.77Å; D183-C196 PolarHBondContact O-N 3.5Å; D183-C196 PolarHBondContact O-SG 2.8Å; C196-L225 HydrophobicContact CB-CB 3.87Å; C196-L225 HydrophobicContact CB-CD1 3.87Å; C196-L228 HydrophobicContact CB-CB 4.2Å; C196-L228 HydrophobicContact CB-CD1 3.83Å
197T94.6Very high91.9Very high2 Ų229.7 Ų29.71%0.01216%0.159CC..EExtended strand (participates in β ladder)trans-109154.5-178.680.60000112.3W180 H199 H200 Q201 L225W180-T197 CarbonylContact O-C 3.58Å; W180-T197 WeakPolarHBondContact O-CA 3.37Å; W180-T197 WeakPolarHBondContact O-CB 3.42Å; T197-H199 PolarHBondContact O-N 2.9Å; T197-H199 VanDerWaalsContact O-N 3.13Å; T197-H199 PolarHBondContact OG1-N 3.35Å; T197-H199 VanDerWaalsContact OG1-N 3.16Å; T197-H200 PolarHBondContact O-N 3.23Å; T197-Q201 HydrophobicContact CG2-CB 4.1Å; T197-Q201 PolarHBondContact N-O 3.05Å; T197-Q201 WeakPolarHBondContact OG1-CB 3.36Å; T197-Q201 PolarHBondContact OG1-N 2.92Å; T197-Q201 VanDerWaalsContact OG1-N 3.16Å; T197-Q201 PolarHBondContact OG1-O 2.81Å; T197-L225 WeakPolarHBondContact O-CB 3.48Å; T197-L225 PolarHBondContact O-N 2.82Å
198G94Very high91.7Very high6 Ų632.7 Ų32.76%0.06219%0.185CC..THydrogen-bonded Turntrans-65.4-6168.500000113.7W180 P224W180-G198 PolarHBondContact O-N 3.08Å; G198-P224 WeakPolarHBondContact O-CA 3.46Å; G198-P224 VanDerWaalsContact O-CB 3.24Å; G198-P224 WeakPolarHBondContact O-CB 3.17Å; G198-P224 WeakPolarHBondContact O-CG 3.2Å
199H93.4Very high91.8Very high56 Ų5632.1 Ų32.126%0.25918%0.182SC..THydrogen-bonded Turntrans-109.841.8177.1-58.7-65.9000111P178 T197 Q201P178-H199 WeakPolarHBondContact CG-NE2 3.5Å; P178-H199 PolarHBondContact O-CD2 2.96Å; T197-H199 PolarHBondContact O-N 2.9Å; T197-H199 VanDerWaalsContact O-N 3.13Å; T197-H199 PolarHBondContact OG1-N 3.35Å; T197-H199 VanDerWaalsContact OG1-N 3.16Å; H199-Q201 WeakPolarHBondContact O-CG 3.38Å; H199-Q201 PolarHBondContact O-N 2.8Å
200H92.4Very high91.9Very high61 Ų6131.8 Ų31.828%0.28219%0.187SC..SBendtrans5517.1172.358.7-95000116.2T197 H219 F220 Y223T197-H200 PolarHBondContact O-N 3.23Å; H200-H219 AromaticContact CD2-ND1 3.76Å; H200-H219 WeakPolarHBondContact O-CA 3.42Å; H200-F220 PolarHBondContact O-N 2.82Å; H200-Y223 WeakPolarHBondContact CB-O 3.44Å
201Q93.4Very high92.2Very high22 Ų2236 Ų3610%0.10320%0.203CC..EExtended strand (participates in β ladder)trans-103142.3-179.9-65.9150.8-4.300110.7T197 H199 E217 A218 H219T197-Q201 HydrophobicContact CG2-CB 4.1Å; T197-Q201 PolarHBondContact N-O 3.05Å; T197-Q201 WeakPolarHBondContact OG1-CB 3.36Å; T197-Q201 PolarHBondContact OG1-N 2.92Å; T197-Q201 VanDerWaalsContact OG1-N 3.16Å; T197-Q201 PolarHBondContact OG1-O 2.81Å; H199-Q201 WeakPolarHBondContact O-CG 3.38Å; H199-Q201 PolarHBondContact O-N 2.8Å; Q201-E217 VanDerWaalsContact CD-OE1 3.31Å; Q201-A218 CarbonylContact C-O 3.5Å; Q201-A218 WeakPolarHBondContact CA-O 3.14Å; Q201-H219 VanDerWaalsContact CG-CE1 3.42Å; Q201-H219 WeakPolarHBondContact CG-CE1 3.34Å; Q201-H219 WeakPolarHBondContact CG-ND1 3.34Å
202V95.5Very high92.6Very high2 Ų239 Ų391%0.01221%0.208CC..EExtended strand (participates in β ladder)trans-112.5122.3166.7-176.10000107.3V194 T195 E217 A218 L225 V237 V239 L249V194-V202 HydrophobicContact CG1-CG1 3.52Å; T195-V202 WeakPolarHBondContact O-CA 3.1Å; V202-E217 WeakPolarHBondContact O-CA 3.48Å; V202-A218 PolarHBondContact N-O 3.49Å; V202-A218 PolarHBondContact O-N 2.93Å; V202-L225 HydrophobicContact CG2-CD1 3.53Å; V202-V237 HydrophobicContact CG1-CG1 4.35Å; V202-V239 HydrophobicContact CG2-CG1 3.86Å; V202-L249 HydrophobicContact CB-CD2 3.91Å; V202-L249 HydrophobicContact CG1-CD2 3.86Å; V202-L249 HydrophobicContact CG2-CD2 4.23Å
203R95.1Very high92.6Very high2 Ų238.9 Ų38.91%0.00821%0.205CC..EExtended strand (participates in β ladder)trans-120.7135.3-176.3-73.6177.8179.7164.61.7110.5V194 T195 Y205 P214 L216 E217V194-R203 WeakPolarHBondContact CA-O 3.29Å; T195-R203 PolarHBondContact N-O 3.47Å; T195-R203 PolarHBondContact O-N 2.92Å; T195-R203 WeakPolarHBondContact OG1-CB 3.41Å; T195-R203 PolarHBondContact OG1-O 2.97Å; T195-R203 VanDerWaalsContact OG1-O 3.05Å; R203-Y205 HydrophobicContact CB-CD2 4.49Å; R203-Y205 HydrophobicContact CB-CE2 3.77Å; R203-Y205 WeakPolarHBondContact CD-OH 3.44Å; R203-P214 HydrophobicContact CB-CB 3.96Å; R203-P214 HydrophobicContact CG-CB 4.01Å; R203-P214 HydrophobicContact CG-CG 4.35Å; R203-L216 WeakPolarHBondContact CA-O 3.45Å; R203-E217 HydrophobicContact CG-CG 4.22Å; R203-E217 IonicContact CZ-OE1 2.76Å; R203-E217 IonicContact NE-OE1 3.67Å; R203-E217 PolarHBondContact NE-OE1 3.27Å; R203-E217 IonicContact NH2-OE1 2.7Å; R203-E217 PolarHBondContact NH2-OE1 3.42Å
204V95.1Very high92.4Very high10 Ų1040 Ų406%0.06121%0.213CC..EExtended strand (participates in β ladder)trans-107.3127.9174.3-172.90000109.1K192 I193 V194 P214 V215 L216 L251K192-V204 HydrophobicContact CB-CG1 4.24Å; K192-V204 HydrophobicContact CD-CG1 4.38Å; I193-V204 CarbonylContact O-C 3.59Å; I193-V204 WeakPolarHBondContact O-CA 3.47Å; V194-V204 HydrophobicContact CG1-CG2 4.35Å; V194-V204 HydrophobicContact CG2-CG2 4.25Å; V204-P214 CarbonylContact O-C 3.6Å; V204-P214 WeakPolarHBondContact O-CA 3.25Å; V204-V215 PolarHBondContact O-N 3.38Å; V204-L216 HydrophobicContact CB-CB 4Å; V204-L216 HydrophobicContact CG2-CB 3.99Å; V204-L216 HydrophobicContact CG2-CD2 3.91Å; V204-L216 PolarHBondContact N-O 3.28Å; V204-L251 HydrophobicContact CG2-CD2 3.88Å
205Y94.8Very high92.3Very high1 Ų143.9 Ų43.90%0.00424%0.236CC..EExtended strand (participates in β ladder)trans-112.9147.3176-64.9-85.6000110.1L150 F163 K192 I193 T195 R203 P214L150-Y205 HydrophobicContact CD2-CD2 3.64Å; L150-Y205 HydrophobicContact CD2-CE2 4.37Å; L150-Y205 HydrophobicContact CD2-CG 3.93Å; F163-Y205 HydrophobicContact CE1-CD1 4.35Å; F163-Y205 HydrophobicContact CE1-CG 4.47Å; F163-Y205 HydrophobicContact CZ-CD1 4.21Å; K192-Y205 CarbonylContact C-O 3.58Å; K192-Y205 VanDerWaalsContact CA-O 3.25Å; K192-Y205 WeakPolarHBondContact CA-O 3.35Å; I193-Y205 PolarHBondContact N-O 3.13Å; I193-Y205 PolarHBondContact O-N 2.97Å; T195-Y205 HydrophobicContact CG2-CD2 4.09Å; T195-Y205 HydrophobicContact CG2-CE2 4.09Å; T195-Y205 WeakPolarHBondContact OG1-CE2 3.08Å; R203-Y205 HydrophobicContact CB-CD2 4.49Å; R203-Y205 HydrophobicContact CB-CE2 3.77Å; R203-Y205 WeakPolarHBondContact CD-OH 3.44Å; Y205-P214 HydrophobicContact CD1-CB 4.43Å; Y205-P214 HydrophobicContact CE1-CB 3.96Å; Y205-P214 HydrophobicContact CE1-CG 4.38Å
206D92.8Very high92.1Very high36 Ų3645.8 Ų45.819%0.19325%0.246CC..  trans-119.6100.5174.9-171.5-19.2000108.5K192 A208 S209 V215K192-D206 HydrophobicContact CG-CB 4.22Å; D206-A208 PolarHBondContact O-N 3.34Å; D206-A208 WeakPolarHBondContact OD1-CB 3.21Å; D206-A208 PolarHBondContact OD1-N 3.08Å; D206-S209 PolarHBondContact O-N 2.69Å; D206-S209 PolarHBondContact OD1-N 3.33Å; D206-V215 HydrophobicContact CB-CG2 3.86Å
207P89.1Confident92Very high36 Ų3649.2 Ų49.223%0.23426%0.262CS..THydrogen-bonded Turntrans-64.1-24.4178.3-20.533.7000114F163 D191 I193 S209F163-P207 HydrophobicContact CB-CB 4.21Å; F163-P207 HydrophobicContact CD2-CB 4.1Å; F163-P207 HydrophobicContact CG-CB 4.13Å; D191-P207 WeakPolarHBondContact O-CD 3.28Å; D191-P207 VanDerWaalsContact O-CG 3.23Å; D191-P207 WeakPolarHBondContact O-CG 3.46Å; I193-P207 HydrophobicContact CD1-CG 3.79Å; I193-P207 HydrophobicContact CG1-CG 4.17Å; P207-S209 VanDerWaalsContact C-N 3.3Å
208A88.1Confident91.9Very high73 Ų7349.3 Ų49.360%0.60326%0.263SS*.THydrogen-bonded Turntrans-75.2-25.1177.700000111.6D191 D206D191-A208 HydrophobicContact CB-CB 4.49Å; D206-A208 PolarHBondContact O-N 3.34Å; D206-A208 WeakPolarHBondContact OD1-CB 3.21Å; D206-A208 PolarHBondContact OD1-N 3.08Å
209S87Confident91.8Very high33 Ų3354 Ų5423%0.23128%0.283CS..SBendtrans-77.3141174.3-174.60000111.3D206 P207 Q211D206-S209 PolarHBondContact O-N 2.69Å; D206-S209 PolarHBondContact OD1-N 3.33Å; P207-S209 VanDerWaalsContact C-N 3.3Å; S209-Q211 PolarHBondContact O-N 3.11Å; S209-Q211 VanDerWaalsContact O-N 3.08Å; S209-Q211 PolarHBondContact OG-N 3.27Å
210P84.4Confident91.7Very high125 Ų12552.1 Ų52.181%0.81227%0.274SS*.SBendtrans-64.3-13170.927.2-34.6000112.5R212P210-R212 PolarHBondContact O-N 3.25Å
211Q88.2Confident91.6Very high124 Ų12451.2 Ų51.258%0.57928%0.281SS*.  trans-75.3110.6176-62.4-167.65.800111.1S209 R213S209-Q211 PolarHBondContact O-N 3.11Å; S209-Q211 VanDerWaalsContact O-N 3.08Å; S209-Q211 PolarHBondContact OG-N 3.27Å; Q211-R213 VanDerWaalsContact C-N 3.25Å; Q211-R213 PolarHBondContact O-N 3.09Å
212R91.3Very high91.3Very high146 Ų14658.1 Ų58.155%0.55131%0.314SS*.  trans-80.6-0.8177-62.6-177.9178-165.6-1.2114.6F163 T164 S165 K166 P210F163-R212 HydrophobicContact CE2-CB 4.4Å; F163-R212 HydrophobicContact CE2-CG 4.17Å; T164-R212 WeakPolarHBondContact O-CD 3.42Å; S165-R212 WeakPolarHBondContact CA-O 3.44Å; K166-R212 HydrophobicContact CB-CB 3.84Å; K166-R212 PolarHBondContact N-O 2.8Å; P210-R212 PolarHBondContact O-N 3.25Å
213R92.5Very high91.3Very high81 Ų8162.4 Ų62.431%0.30633%0.33SS..SBendtrans-93159.9-179.3-78.5-178.4172.3176.5-0.2110.3K166 N167 Q211 V215K166-R213 HydrophobicContact CB-CG 4.36Å; N167-R213 PolarHBondContact O-NE 3.4Å; Q211-R213 VanDerWaalsContact C-N 3.25Å; Q211-R213 PolarHBondContact O-N 3.09Å; R213-V215 PolarHBondContact O-N 3.26Å
214P92.3Very high91.2Very high24 Ų2464.9 Ų64.916%0.15635%0.347CS..  trans-61.5133.5176.726.7-34.9000110.4V168 R203 V204 Y205V168-P214 HydrophobicContact CG1-CG 3.62Å; R203-P214 HydrophobicContact CB-CB 3.96Å; R203-P214 HydrophobicContact CG-CB 4.01Å; R203-P214 HydrophobicContact CG-CG 4.35Å; V204-P214 CarbonylContact O-C 3.6Å; V204-P214 WeakPolarHBondContact O-CA 3.25Å; Y205-P214 HydrophobicContact CD1-CB 4.43Å; Y205-P214 HydrophobicContact CE1-CB 3.96Å; Y205-P214 HydrophobicContact CE1-CG 4.38Å
215V91.8Very high91.2Very high81 Ų8164.4 Ų64.449%0.49134%0.344SS..SBendtrans-76.3-34.5175.1-179.90000110.2V204 D206 R213V204-V215 PolarHBondContact O-N 3.38Å; D206-V215 HydrophobicContact CB-CG2 3.86Å; R213-V215 PolarHBondContact O-N 3.26Å
216L92.4Very high91.2Very high40 Ų4065.6 Ų65.621%0.20935%0.351CS..EExtended strand (participates in β ladder)trans-133.4137.2177-174.876.2000109.1R203 V204 L251R203-L216 WeakPolarHBondContact CA-O 3.45Å; V204-L216 HydrophobicContact CB-CB 4Å; V204-L216 HydrophobicContact CG2-CB 3.99Å; V204-L216 HydrophobicContact CG2-CD2 3.91Å; V204-L216 PolarHBondContact N-O 3.28Å; L216-L251 WeakPolarHBondContact CD2-O 3.27Å
217E92.9Very high91.3Very high73 Ų7363.9 Ų63.934%0.34134%0.342SS..EExtended strand (participates in β ladder)trans-127.3127.3170.1-175.6161.2-143.900108.4Q201 V202 R203Q201-E217 VanDerWaalsContact CD-OE1 3.31Å; V202-E217 WeakPolarHBondContact O-CA 3.48Å; R203-E217 HydrophobicContact CG-CG 4.22Å; R203-E217 IonicContact CZ-OE1 2.76Å; R203-E217 IonicContact NE-OE1 3.67Å; R203-E217 PolarHBondContact NE-OE1 3.27Å; R203-E217 IonicContact NH2-OE1 2.7Å; R203-E217 PolarHBondContact NH2-OE1 3.42Å
218A93.2Very high91.6Very high4 Ų462.2 Ų62.23%0.03333%0.331CS..EExtended strand (participates in β ladder)trans-129.7151.2176.900000109.3Q201 V202 L249 G254Q201-A218 CarbonylContact C-O 3.5Å; Q201-A218 WeakPolarHBondContact CA-O 3.14Å; V202-A218 PolarHBondContact N-O 3.49Å; V202-A218 PolarHBondContact O-N 2.93Å; A218-L249 HydrophobicContact CB-CD1 3.97Å; A218-L249 HydrophobicContact CB-CD2 3.65Å; A218-L249 HydrophobicContact CB-CG 4.39Å; A218-G254 WeakPolarHBondContact CB-O 3.45Å
219H92.3Very high91.9Very high104 Ų10459.4 Ų59.448%0.48131%0.308SS..EExtended strand (participates in β ladder)trans-116.1141.6179.3-60-92000109.9H200 Q201H200-H219 AromaticContact CD2-ND1 3.76Å; H200-H219 WeakPolarHBondContact O-CA 3.42Å; Q201-H219 VanDerWaalsContact CG-CE1 3.42Å; Q201-H219 WeakPolarHBondContact CG-CE1 3.34Å; Q201-H219 WeakPolarHBondContact CG-ND1 3.34Å
220F91.9Very high92.2Very high16 Ų1658.8 Ų58.87%0.0730%0.302CS..  trans-133.8111.4174.3174.3-118000111.3H200 L225 V239 E245 A247 V256H200-F220 PolarHBondContact O-N 2.82Å; F220-L225 HydrophobicContact CD1-CD2 3.8Å; F220-V239 HydrophobicContact CB-CG2 4.47Å; F220-V239 HydrophobicContact CD1-CG2 3.83Å; F220-V239 HydrophobicContact CG-CG2 4.3Å; F220-E245 HydrophobicContact CE1-CB 4.4Å; F220-E245 HydrophobicContact CZ-CB 4.1Å; F220-A247 HydrophobicContact CD1-CB 3.8Å; F220-A247 HydrophobicContact CD2-CB 3.5Å; F220-A247 HydrophobicContact CE1-CB 3.59Å; F220-A247 HydrophobicContact CE2-CB 3.31Å; F220-A247 HydrophobicContact CG-CB 3.77Å; F220-A247 HydrophobicContact CZ-CB 3.36Å; F220-V256 HydrophobicContact CD2-CG1 4.46Å; F220-V256 HydrophobicContact CD2-CG2 4Å
221G88.4Confident92.5Very high42 Ų4253.3 Ų53.343%0.43327%0.266SS..SBendtrans62.7-164.7-179.500000112.9
222E88.9Confident92.3Very high167 Ų16749.4 Ų49.478%0.7826%0.255SS*.SBendtrans-107.8-12.3179.2-61.3-179.3172.100112
223Y94.1Very high91.8Very high92 Ų9247.2 Ų47.236%0.36125%0.254SS..SBendtrans-92.7149.6-172.3-58.3-63.5000112.8H200 L225 H243H200-Y223 WeakPolarHBondContact CB-O 3.44Å; Y223-L225 PolarHBondContact O-N 3.38Å; Y223-H243 AromaticContact CD1-CD2 3.14Å; Y223-H243 WeakPolarHBondContact CD1-CD2 3.31Å; Y223-H243 AromaticContact CD1-NE2 3.38Å; Y223-H243 WeakPolarHBondContact CD1-NE2 3.35Å; Y223-H243 HydrophobicContact CD2-CB 4.14Å; Y223-H243 AromaticContact CD2-CD2 3.78Å; Y223-H243 AromaticContact CE1-CD2 3.42Å; Y223-H243 VanDerWaalsContact CE1-CD2 3.42Å; Y223-H243 WeakPolarHBondContact CE1-CD2 3.3Å; Y223-H243 AromaticContact CE1-CE1 3.91Å; Y223-H243 AromaticContact CE1-NE2 3.3Å; Y223-H243 VanDerWaalsContact CE1-NE2 3.3Å; Y223-H243 WeakPolarHBondContact CE1-NE2 3.43Å; Y223-H243 HydrophobicContact CE2-CB 4.34Å; Y223-H243 HydrophobicContact CG-CB 4.45Å; Y223-H243 AromaticContact CG-CD2 3.33Å; Y223-H243 AromaticContact CZ-CD2 3.85Å; Y223-H243 AromaticContact CZ-NE2 3.94Å
224P94.1Very high91.2Very high54 Ų5447 Ų4735%0.35126%0.257SS..PPolyproline II helixtrans-55.7136.4176.8-26.335.1000112.8G198 N241 T242G198-P224 WeakPolarHBondContact O-CA 3.46Å; G198-P224 VanDerWaalsContact O-CB 3.24Å; G198-P224 WeakPolarHBondContact O-CB 3.17Å; G198-P224 WeakPolarHBondContact O-CG 3.2Å; P224-N241 VanDerWaalsContact O-CA 3.31Å; P224-N241 WeakPolarHBondContact O-CA 3.31Å; P224-N241 WeakPolarHBondContact O-CB 3.4Å; P224-T242 PolarHBondContact O-N 2.82Å; P224-T242 VanDerWaalsContact O-N 3.14Å; P224-T242 PolarHBondContact O-OG1 2.95Å
225L95.4Very high90.9Very high0 Ų049 Ų490%027%0.266CS..EExtended strand (participates in β ladder)trans-81.1139.4170.7-53.8178.5000109.5R182 C196 T197 V202 F220 Y223 V239 G240 N241R182-L225 WeakPolarHBondContact CB-O 3.47Å; R182-L225 WeakPolarHBondContact CG-O 3.28Å; C196-L225 HydrophobicContact CB-CB 3.87Å; C196-L225 HydrophobicContact CB-CD1 3.87Å; T197-L225 WeakPolarHBondContact O-CB 3.48Å; T197-L225 PolarHBondContact O-N 2.82Å; V202-L225 HydrophobicContact CG2-CD1 3.53Å; F220-L225 HydrophobicContact CD1-CD2 3.8Å; Y223-L225 PolarHBondContact O-N 3.38Å; L225-V239 HydrophobicContact CD1-CB 4.45Å; L225-V239 HydrophobicContact CD2-CG2 4.46Å; L225-G240 CarbonylContact C-O 3.49Å; L225-G240 WeakPolarHBondContact CA-O 3.38Å; L225-N241 HydrophobicContact CD2-CB 4.26Å
226T94.8Very high90.9Very high26 Ų2645.5 Ų45.516%0.1625%0.245CC..EExtended strand (participates in β ladder)trans-116.7-35.6-172.751.70000113.2G240 T242 V267T226-G240 PolarHBondContact N-O 2.85Å; T226-G240 PolarHBondContact OG1-O 2.82Å; T226-T242 WeakPolarHBondContact CG2-OG1 3.11Å; T226-V267 WeakPolarHBondContact CB-O 3.15Å; T226-V267 PolarHBondContact OG1-O 2.97Å
227A94.5Very high91Very high1 Ų143.6 Ų43.61%0.00824%0.235CC..EExtended strand (participates in β ladder)trans-142.5150.8-175.900000111.1G240 V267 L270A227-G240 PolarHBondContact O-N 3.49Å; A227-V267 HydrophobicContact CB-CG1 4.3Å; A227-L270 HydrophobicContact CB-CB 3.69Å
228L95.5Very high91.2Very high0 Ų040.1 Ų40.10%022%0.219CC..EExtended strand (participates in β ladder)trans-141.2141.1-179.2-178.7149.3000110.3D183 S185 V194 C196 V237 V238 V239D183-L228 HydrophobicContact CB-CB 4.08Å; D183-L228 PolarHBondContact OD2-N 3.2Å; S185-L228 VanDerWaalsContact CB-CD2 3.43Å; V194-L228 HydrophobicContact CB-CD1 4.37Å; V194-L228 HydrophobicContact CG1-CD1 3.8Å; C196-L228 HydrophobicContact CB-CB 4.2Å; C196-L228 HydrophobicContact CB-CD1 3.83Å; L228-V237 HydrophobicContact CD1-CG2 3.74Å; L228-V237 HydrophobicContact CD2-CG2 3.76Å; L228-V237 HydrophobicContact CG-CG2 3.54Å; L228-V238 WeakPolarHBondContact CA-O 3.43Å; L228-V239 HydrophobicContact CB-CG1 4.5Å; L228-V239 HydrophobicContact CD1-CG1 3.88Å; L228-V239 HydrophobicContact CG-CG1 4.15Å
229S94.8Very high91.3Very high15 Ų1540 Ų4011%0.10522%0.218CC..EExtended strand (participates in β ladder)trans-149.2146.8172.6-165.30000111.3V238 Q271 C272S229-V238 PolarHBondContact N-O 3Å; S229-V238 PolarHBondContact O-N 2.99Å; S229-Q271 WeakPolarHBondContact OG-CA 3.4Å; S229-C272 PolarHBondContact OG-N 2.88Å
230L93Very high91.5Very high20 Ų2035 Ų3511%0.10520%0.195CC..  trans-100.4129.1178.6-69.3169.3000109.9S185 F186 I187 V194 S236 V237 L251 C272S185-L230 WeakPolarHBondContact OG-CD1 3.5Å; F186-L230 WeakPolarHBondContact O-CD1 3.05Å; I187-L230 HydrophobicContact CB-CD1 4.26Å; I187-L230 HydrophobicContact CG1-CD1 3.78Å; I187-L230 HydrophobicContact CG1-CD2 4.46Å; V194-L230 HydrophobicContact CG2-CD2 4.24Å; L230-S236 WeakPolarHBondContact CD2-O 3.43Å; L230-V237 HydrophobicContact CD2-CB 3.66Å; L230-V237 HydrophobicContact CD2-CG2 3.66Å; L230-V237 HydrophobicContact CG-CG2 4.39Å; L230-L251 HydrophobicContact CD2-CD1 4.12Å; L230-C272 VanDerWaalsContact O-CB 3.27Å; L230-C272 WeakPolarHBondContact O-CB 3.33Å
231P90.6Very high91.6Very high9 Ų934.3 Ų34.36%0.05819%0.191CC..  trans-73170.2169.233.6-31.9000111.5N233 S236 C272 L293P231-N233 HydrophobicContact CG-CB 4.49Å; P231-N233 CarbonylContact O-C 3.59Å; P231-N233 PolarHBondContact O-N 3.4Å; P231-N233 VanDerWaalsContact O-N 3.1Å; P231-S236 WeakPolarHBondContact CD-O 3.12Å; P231-C272 HydrophobicContact CB-CB 4.35Å; P231-L293 HydrophobicContact CB-CD1 3.54Å; P231-L293 HydrophobicContact CG-CD1 4.35Å
232A83.1Confident91.9Very high42 Ų4235.3 Ų35.335%0.34719%0.189SC..SBendtrans-51.4-32.5172.200000112.9Q234 P274 S275A232-Q234 PolarHBondContact O-N 3.11Å; A232-Q234 VanDerWaalsContact O-N 3.16Å; A232-P274 WeakPolarHBondContact CB-O 3.49Å; A232-S275 WeakPolarHBondContact CB-O 3.31Å
233N80.5Confident92Very high101 Ų10132.4 Ų32.454%0.5418%0.175SC..SBendtrans-74.7102173.4-64.8-16.9000109.7P231 D235 S236P231-N233 HydrophobicContact CG-CB 4.49Å; P231-N233 CarbonylContact O-C 3.59Å; P231-N233 PolarHBondContact O-N 3.4Å; P231-N233 VanDerWaalsContact O-N 3.1Å; N233-D235 PolarHBondContact O-N 2.92Å; N233-S236 PolarHBondContact O-N 3.17Å; N233-S236 VanDerWaalsContact O-N 3.14Å
234Q80.2Confident91.8Very high77 Ų7728.2 Ų28.236%0.3616%0.16SC..THydrogen-bonded Turntrans-56.1-15.7-177.3-63.5172.9800114.9I187 P188 D189 A232I187-Q234 HydrophobicContact CG2-CB 4.06Å; I187-Q234 HydrophobicContact CG2-CG 4.47Å; P188-Q234 VanDerWaalsContact O-CD 3.31Å; D189-Q234 PolarHBondContact OD2-NE2 3.25Å; A232-Q234 PolarHBondContact O-N 3.11Å; A232-Q234 VanDerWaalsContact O-N 3.16Å
235D86.8Confident91.8Very high64 Ų6429.8 Ų29.834%0.34216%0.163SC..THydrogen-bonded Turntrans-87.3-9.1-177-66.5-48.8000114.7N233 L251 R252N233-D235 PolarHBondContact O-N 2.92Å; D235-L251 WeakPolarHBondContact O-CB 3.48Å; D235-L251 PolarHBondContact O-N 3.13Å; D235-R252 VanDerWaalsContact CG-NH2 3.3Å; D235-R252 WeakPolarHBondContact OD1-CD 3.11Å; D235-R252 IonicContact OD1-CZ 3.25Å; D235-R252 IonicContact OD1-NE 2.67Å; D235-R252 PolarHBondContact OD1-NE 2.71Å; D235-R252 VanDerWaalsContact OD1-NE 3.08Å; D235-R252 IonicContact OD1-NH2 3.22Å; D235-R252 IonicContact OD2-CZ 3.27Å; D235-R252 VanDerWaalsContact OD2-CZ 3.22Å; D235-R252 IonicContact OD2-NE 3.86Å; D235-R252 PolarHBondContact OD2-NE 3.46Å; D235-R252 IonicContact OD2-NH2 3.52Å; D235-R252 PolarHBondContact OD2-NH2 2.76Å
236S92Very high91.8Very high9 Ų929.8 Ų29.86%0.06316%0.163CC..EExtended strand (participates in β ladder)trans-124.1156.8-175.1-640000111L230 P231 N233 L249L230-S236 WeakPolarHBondContact CD2-O 3.43Å; P231-S236 WeakPolarHBondContact CD-O 3.12Å; N233-S236 PolarHBondContact O-N 3.17Å; N233-S236 VanDerWaalsContact O-N 3.14Å; S236-L249 CarbonylContact C-O 3.59Å; S236-L249 WeakPolarHBondContact CA-O 3.34Å
237V94.8Very high91.8Very high0 Ų028.6 Ų28.60%016%0.156CC..EExtended strand (participates in β ladder)trans-135.9142.2172.365.30000109.8V194 V202 L228 L230 V239 I248 L249 L251V194-V237 HydrophobicContact CG1-CG1 4.48Å; V194-V237 HydrophobicContact CG1-CG2 4.29Å; V202-V237 HydrophobicContact CG1-CG1 4.35Å; L228-V237 HydrophobicContact CD1-CG2 3.74Å; L228-V237 HydrophobicContact CD2-CG2 3.76Å; L228-V237 HydrophobicContact CG-CG2 3.54Å; L230-V237 HydrophobicContact CD2-CB 3.66Å; L230-V237 HydrophobicContact CD2-CG2 3.66Å; L230-V237 HydrophobicContact CG-CG2 4.39Å; V237-V239 HydrophobicContact CG2-CG1 4.32Å; V237-I248 CarbonylContact O-C 3.57Å; V237-I248 WeakPolarHBondContact O-CA 3.3Å; V237-L249 HydrophobicContact CG1-CB 3.73Å; V237-L249 HydrophobicContact CG1-CD2 3.96Å; V237-L249 HydrophobicContact CG1-CG 4.37Å; V237-L249 PolarHBondContact N-O 2.87Å; V237-L249 PolarHBondContact O-N 3.21Å; V237-L251 HydrophobicContact CB-CD1 4.4Å; V237-L251 HydrophobicContact CB-CD2 4.11Å; V237-L251 HydrophobicContact CB-CG 4.36Å; V237-L251 HydrophobicContact CG1-CD2 3.6Å; V237-L251 HydrophobicContact CG1-CG 4.2Å
238V95.8Very high91.8Very high0 Ų029.1 Ų29.10%016%0.158CC..EExtended strand (participates in β ladder)trans-102.8129.1173.6-167.90000108.6L228 S229 A247 I248 L270 V279 L293L228-V238 WeakPolarHBondContact CA-O 3.43Å; S229-V238 PolarHBondContact N-O 3Å; S229-V238 PolarHBondContact O-N 2.99Å; V238-A247 CarbonylContact C-O 3.59Å; V238-A247 VanDerWaalsContact CA-O 3.31Å; V238-A247 WeakPolarHBondContact CA-O 3.49Å; V238-I248 HydrophobicContact CG2-CG1 4.37Å; V238-L270 HydrophobicContact CB-CD2 4.12Å; V238-L270 HydrophobicContact CG1-CD1 4.3Å; V238-L270 HydrophobicContact CG1-CD2 3.98Å; V238-L270 VanDerWaalsContact O-CD2 3.25Å; V238-L270 WeakPolarHBondContact O-CD2 3.49Å; V238-V279 HydrophobicContact CG1-CG2 4.3Å; V238-L293 HydrophobicContact CG2-CD1 4.43Å; V238-L293 HydrophobicContact CG2-CD2 3.75Å
239V96.1Very high91.8Very high1 Ų129.2 Ų29.21%0.00616%0.159CC..EExtended strand (participates in β ladder)trans-125.3144.7179.1-64.10000110.5V202 F220 L225 L228 V237 L246 A247V202-V239 HydrophobicContact CG2-CG1 3.86Å; F220-V239 HydrophobicContact CB-CG2 4.47Å; F220-V239 HydrophobicContact CD1-CG2 3.83Å; F220-V239 HydrophobicContact CG-CG2 4.3Å; L225-V239 HydrophobicContact CD1-CB 4.45Å; L225-V239 HydrophobicContact CD2-CG2 4.46Å; L228-V239 HydrophobicContact CB-CG1 4.5Å; L228-V239 HydrophobicContact CD1-CG1 3.88Å; L228-V239 HydrophobicContact CG-CG1 4.15Å; V237-V239 HydrophobicContact CG2-CG1 4.32Å; V239-L246 CarbonylContact O-C 3.59Å; V239-L246 VanDerWaalsContact O-CA 3.3Å; V239-L246 WeakPolarHBondContact O-CA 3.38Å; V239-A247 HydrophobicContact CG2-CB 4.09Å; V239-A247 PolarHBondContact N-O 2.87Å; V239-A247 PolarHBondContact O-N 3.25Å
240G95.4Very high91.7Very high0 Ų029.7 Ų29.70%016%0.16CC..EExtended strand (participates in β ladder)trans-123.6149.1175.900000112.5L225 T226 A227 E245L225-G240 CarbonylContact C-O 3.49Å; L225-G240 WeakPolarHBondContact CA-O 3.38Å; T226-G240 PolarHBondContact N-O 2.85Å; T226-G240 PolarHBondContact OG1-O 2.82Å; A227-G240 PolarHBondContact O-N 3.49Å; G240-E245 WeakPolarHBondContact CA-O 3.39Å
241N94.8Very high91.6Very high0 Ų029.7 Ų29.70%016%0.16CC..EExtended strand (participates in β ladder)trans-112.6175.2-179.976.711.5000113.6P224 L225 H243 G244 E245 V267P224-N241 VanDerWaalsContact O-CA 3.31Å; P224-N241 WeakPolarHBondContact O-CA 3.31Å; P224-N241 WeakPolarHBondContact O-CB 3.4Å; L225-N241 HydrophobicContact CD2-CB 4.26Å; N241-H243 PolarHBondContact O-N 3Å; N241-H243 WeakPolarHBondContact OD1-CA 3.44Å; N241-H243 PolarHBondContact OD1-N 2.81Å; N241-G244 PolarHBondContact O-N 2.92Å; N241-G244 PolarHBondContact OD1-N 2.94Å; N241-E245 PolarHBondContact N-O 3.46Å; N241-E245 WeakPolarHBondContact ND2-CB 3.43Å; N241-E245 PolarHBondContact ND2-OE2 2.94Å; N241-E245 PolarHBondContact OD1-N 2.63Å; N241-E245 PolarHBondContact OD1-O 3.03Å; N241-V267 PolarHBondContact O-N 2.84Å; N241-V267 VanDerWaalsContact O-N 3.08Å
242T94.1Very high91.5Very high64 Ų6437.6 Ų37.639%0.39319%0.189SC..THydrogen-bonded Turntrans-68-17.6177.8-50.90000114.1P224 T226 G266P224-T242 PolarHBondContact O-N 2.82Å; P224-T242 VanDerWaalsContact O-N 3.14Å; P224-T242 PolarHBondContact O-OG1 2.95Å; T226-T242 WeakPolarHBondContact CG2-OG1 3.11Å; T242-G266 VanDerWaalsContact C-CA 3.45Å; T242-G266 WeakPolarHBondContact O-CA 3.35Å; T242-G266 PolarHBondContact O-N 3.37Å
243H91.7Very high91.7Very high105 Ų10542.9 Ų42.949%0.48620%0.204SC..THydrogen-bonded Turntrans-96.1-3.6179.3-79.9-93.4000113.9Y223 N241Y223-H243 AromaticContact CD1-CD2 3.14Å; Y223-H243 WeakPolarHBondContact CD1-CD2 3.31Å; Y223-H243 AromaticContact CD1-NE2 3.38Å; Y223-H243 WeakPolarHBondContact CD1-NE2 3.35Å; Y223-H243 HydrophobicContact CD2-CB 4.14Å; Y223-H243 AromaticContact CD2-CD2 3.78Å; Y223-H243 AromaticContact CE1-CD2 3.42Å; Y223-H243 VanDerWaalsContact CE1-CD2 3.42Å; Y223-H243 WeakPolarHBondContact CE1-CD2 3.3Å; Y223-H243 AromaticContact CE1-CE1 3.91Å; Y223-H243 AromaticContact CE1-NE2 3.3Å; Y223-H243 VanDerWaalsContact CE1-NE2 3.3Å; Y223-H243 WeakPolarHBondContact CE1-NE2 3.43Å; Y223-H243 HydrophobicContact CE2-CB 4.34Å; Y223-H243 HydrophobicContact CG-CB 4.45Å; Y223-H243 AromaticContact CG-CD2 3.33Å; Y223-H243 AromaticContact CZ-CD2 3.85Å; Y223-H243 AromaticContact CZ-NE2 3.94Å; N241-H243 PolarHBondContact O-N 3Å; N241-H243 WeakPolarHBondContact OD1-CA 3.44Å; N241-H243 PolarHBondContact OD1-N 2.81Å
244G90.8Very high92.1Very high4 Ų438.7 Ų38.74%0.04119%0.185CC..SBendtrans94.42.2-179.900000114.4N241 L263 G265N241-G244 PolarHBondContact O-N 2.92Å; N241-G244 PolarHBondContact OD1-N 2.94Å; G244-L263 VanDerWaalsContact O-CB 3.25Å; G244-L263 WeakPolarHBondContact O-CB 3.2Å; G244-G265 WeakPolarHBondContact CA-O 3.36Å; G244-G265 PolarHBondContact N-O 2.93Å
245E93.4Very high92.6Very high88 Ų8840.2 Ų40.241%0.41120%0.195SC..  trans-75.6137.9173.1-44.2176.2137.600109.8F220 G240 N241F220-E245 HydrophobicContact CE1-CB 4.4Å; F220-E245 HydrophobicContact CZ-CB 4.1Å; G240-E245 WeakPolarHBondContact CA-O 3.39Å; N241-E245 PolarHBondContact N-O 3.46Å; N241-E245 WeakPolarHBondContact ND2-CB 3.43Å; N241-E245 PolarHBondContact ND2-OE2 2.94Å; N241-E245 PolarHBondContact OD1-N 2.63Å; N241-E245 PolarHBondContact OD1-O 3.03Å
246L95.1Very high92.9Very high0 Ų040 Ų400%020%0.196CC..EExtended strand (participates in β ladder)trans-119.8136.4176-70.9168.4000108.4V239 C259 L260 L263 V267 L270 T281V239-L246 CarbonylContact O-C 3.59Å; V239-L246 VanDerWaalsContact O-CA 3.3Å; V239-L246 WeakPolarHBondContact O-CA 3.38Å; L246-C259 CarbonylContact O-C 3.53Å; L246-C259 WeakPolarHBondContact O-CA 3.34Å; L246-C259 WeakPolarHBondContact O-CB 3.3Å; L246-L260 HydrophobicContact CB-CB 3.91Å; L246-L260 HydrophobicContact CB-CD1 4.2Å; L246-L260 HydrophobicContact CB-CG 4.43Å; L246-L260 HydrophobicContact CD1-CB 4.24Å; L246-L260 HydrophobicContact CD1-CD1 4.21Å; L246-L260 PolarHBondContact O-N 2.99Å; L246-L263 HydrophobicContact CD1-CD1 3.49Å; L246-L263 VanDerWaalsContact CD1-CD1 3.49Å; L246-L263 HydrophobicContact CD1-CD2 3.93Å; L246-L263 HydrophobicContact CD1-CG 4.4Å; L246-L263 HydrophobicContact CG-CD1 4.19Å; L246-L263 HydrophobicContact CG-CD2 4.36Å; L246-V267 HydrophobicContact CD2-CG1 4.29Å; L246-V267 HydrophobicContact CD2-CG2 3.94Å; L246-V267 HydrophobicContact CG-CG2 4.34Å; L246-L270 HydrophobicContact CD2-CD1 3.75Å; L246-T281 HydrophobicContact CD1-CG2 3.32Å; L246-T281 HydrophobicContact CD2-CG2 4.17Å; L246-T281 HydrophobicContact CG-CG2 4.4Å
247A94.8Very high92.8Very high0 Ų048.2 Ų48.20%023%0.225CC..EExtended strand (participates in β ladder)trans-127.7147174.300000112.1F220 V238 V239 V256 G258F220-A247 HydrophobicContact CD1-CB 3.8Å; F220-A247 HydrophobicContact CD2-CB 3.5Å; F220-A247 HydrophobicContact CE1-CB 3.59Å; F220-A247 HydrophobicContact CE2-CB 3.31Å; F220-A247 HydrophobicContact CG-CB 3.77Å; F220-A247 HydrophobicContact CZ-CB 3.36Å; V238-A247 CarbonylContact C-O 3.59Å; V238-A247 VanDerWaalsContact CA-O 3.31Å; V238-A247 WeakPolarHBondContact CA-O 3.49Å; V239-A247 HydrophobicContact CG2-CB 4.09Å; V239-A247 PolarHBondContact N-O 2.87Å; V239-A247 PolarHBondContact O-N 3.25Å; A247-V256 HydrophobicContact CB-CG1 4.05Å; A247-G258 WeakPolarHBondContact CA-O 3.42Å
248I95.1Very high92.6Very high12 Ų1248.6 Ų48.66%0.06223%0.23CC..EExtended strand (participates in β ladder)trans-102.2117.2168.9-52.6172.8000106.1V237 V238 R257 G258 L260 L293 R296V237-I248 CarbonylContact O-C 3.57Å; V237-I248 WeakPolarHBondContact O-CA 3.3Å; V238-I248 HydrophobicContact CG2-CG1 4.37Å; I248-R257 WeakPolarHBondContact O-CB 3.43Å; I248-R257 PolarHBondContact O-N 2.88Å; I248-G258 PolarHBondContact N-O 3.21Å; I248-G258 PolarHBondContact O-N 2.91Å; I248-L260 HydrophobicContact CD1-CD2 4.39Å; I248-L293 HydrophobicContact CD1-CB 4.42Å; I248-L293 HydrophobicContact CD1-CD2 3.72Å; I248-L293 HydrophobicContact CG1-CD2 4.14Å; I248-R296 HydrophobicContact CD1-CG 4.28Å
249L94.6Very high92.4Very high2 Ų251.5 Ų51.51%0.0125%0.249CC..EExtended strand (participates in β ladder)trans-108.4136.8-179.4-174.283.5000109.4V202 A218 S236 V237 L255 V256V202-L249 HydrophobicContact CB-CD2 3.91Å; V202-L249 HydrophobicContact CG1-CD2 3.86Å; V202-L249 HydrophobicContact CG2-CD2 4.23Å; A218-L249 HydrophobicContact CB-CD1 3.97Å; A218-L249 HydrophobicContact CB-CD2 3.65Å; A218-L249 HydrophobicContact CB-CG 4.39Å; S236-L249 CarbonylContact C-O 3.59Å; S236-L249 WeakPolarHBondContact CA-O 3.34Å; V237-L249 HydrophobicContact CG1-CB 3.73Å; V237-L249 HydrophobicContact CG1-CD2 3.96Å; V237-L249 HydrophobicContact CG1-CG 4.37Å; V237-L249 PolarHBondContact N-O 2.87Å; V237-L249 PolarHBondContact O-N 3.21Å; L249-L255 WeakPolarHBondContact CD1-O 3.5Å; L249-V256 HydrophobicContact CD1-CB 4.44Å; L249-V256 HydrophobicContact CD1-CG2 3.77Å
250D93.2Very high92.3Very high25 Ų2551.7 Ų51.713%0.13425%0.25CS..EExtended strand (participates in β ladder)trans-86.7118.2171.9-178-7.5000109.5R252 G254 L255D250-R252 VanDerWaalsContact C-N 3.31Å; D250-R252 PolarHBondContact O-N 3.28Å; D250-R252 WeakPolarHBondContact OD1-CB 3.38Å; D250-R252 PolarHBondContact OD1-N 2.94Å; D250-G254 VanDerWaalsContact O-CA 3.28Å; D250-G254 WeakPolarHBondContact O-CA 3.3Å; D250-G254 PolarHBondContact O-N 3.2Å; D250-L255 PolarHBondContact N-O 2.7Å; D250-L255 PolarHBondContact O-N 3.47Å
251L90.1Very high91.9Very high21 Ų2160.4 Ų60.411%0.1129%0.288CS..THydrogen-bonded Turntrans-74.6-18.9-178-63.2175.9000112.8I187 V194 V204 L216 L230 D235 V237I187-L251 HydrophobicContact CD1-CD1 3.68Å; I187-L251 HydrophobicContact CG1-CD1 4.36Å; V194-L251 HydrophobicContact CG1-CD2 4.19Å; V194-L251 HydrophobicContact CG2-CD1 3.88Å; V194-L251 HydrophobicContact CG2-CD2 4.04Å; V204-L251 HydrophobicContact CG2-CD2 3.88Å; L216-L251 WeakPolarHBondContact CD2-O 3.27Å; L230-L251 HydrophobicContact CD2-CD1 4.12Å; D235-L251 WeakPolarHBondContact O-CB 3.48Å; D235-L251 PolarHBondContact O-N 3.13Å; V237-L251 HydrophobicContact CB-CD1 4.4Å; V237-L251 HydrophobicContact CB-CD2 4.11Å; V237-L251 HydrophobicContact CB-CG 4.36Å; V237-L251 HydrophobicContact CG1-CD2 3.6Å; V237-L251 HydrophobicContact CG1-CG 4.2Å
252R88.8Confident91.4Very high174 Ų17462.8 Ų62.866%0.65731%0.313SS*.THydrogen-bonded Turntrans-74.7-36.4177.4-69.5-176.7-94.3160-15.1111.8D235 D250D235-R252 VanDerWaalsContact CG-NH2 3.3Å; D235-R252 WeakPolarHBondContact OD1-CD 3.11Å; D235-R252 IonicContact OD1-CZ 3.25Å; D235-R252 IonicContact OD1-NE 2.67Å; D235-R252 PolarHBondContact OD1-NE 2.71Å; D235-R252 VanDerWaalsContact OD1-NE 3.08Å; D235-R252 IonicContact OD1-NH2 3.22Å; D235-R252 IonicContact OD2-CZ 3.27Å; D235-R252 VanDerWaalsContact OD2-CZ 3.22Å; D235-R252 IonicContact OD2-NE 3.86Å; D235-R252 PolarHBondContact OD2-NE 3.46Å; D235-R252 IonicContact OD2-NH2 3.52Å; D235-R252 PolarHBondContact OD2-NH2 2.76Å; D250-R252 VanDerWaalsContact C-N 3.31Å; D250-R252 PolarHBondContact O-N 3.28Å; D250-R252 WeakPolarHBondContact OD1-CB 3.38Å; D250-R252 PolarHBondContact OD1-N 2.94Å
253K87.6Confident91.1Very high153 Ų15360.9 Ų60.967%0.66530%0.3SS*.THydrogen-bonded Turntrans-106.6-17.4-176.6-63.7-178.3-179177.50113.8L255K253-L255 VanDerWaalsContact C-N 3.28Å; K253-L255 HydrophobicContact CB-CB 4.28Å; K253-L255 HydrophobicContact CB-CD1 4.02Å; K253-L255 HydrophobicContact CB-CG 4.05Å; K253-L255 HydrophobicContact CD-CD1 4.4Å
254G88.8Confident91Very high14 Ų1460 Ų6014%0.14431%0.311CS..THydrogen-bonded Turntrans6729.3-171.300000113.2A218 D250A218-G254 WeakPolarHBondContact CB-O 3.45Å; D250-G254 VanDerWaalsContact O-CA 3.28Å; D250-G254 WeakPolarHBondContact O-CA 3.3Å; D250-G254 PolarHBondContact O-N 3.2Å
255L90.9Very high90.9Very high108 Ų10860.6 Ų60.657%0.56532%0.317SS*.EExtended strand (participates in β ladder)trans-116.2146.3-175.2-67.5175.6000111.6L249 D250 K253 R257L249-L255 WeakPolarHBondContact CD1-O 3.5Å; D250-L255 PolarHBondContact N-O 2.7Å; D250-L255 PolarHBondContact O-N 3.47Å; K253-L255 VanDerWaalsContact C-N 3.28Å; K253-L255 HydrophobicContact CB-CB 4.28Å; K253-L255 HydrophobicContact CB-CD1 4.02Å; K253-L255 HydrophobicContact CB-CG 4.05Å; K253-L255 HydrophobicContact CD-CD1 4.4Å; L255-R257 PolarHBondContact O-N 2.77Å
256V92.8Very high90.9Very high61 Ų6156.7 Ų56.737%0.3730%0.301SS..EExtended strand (participates in β ladder)trans-73.8115.8175.9-178.30000108.7F220 A247 L249F220-V256 HydrophobicContact CD2-CG1 4.46Å; F220-V256 HydrophobicContact CD2-CG2 4Å; A247-V256 HydrophobicContact CB-CG1 4.05Å; L249-V256 HydrophobicContact CD1-CB 4.44Å; L249-V256 HydrophobicContact CD1-CG2 3.77Å
257R90.9Very high90.9Very high180 Ų18056.8 Ų56.868%0.67930%0.301SS*.EExtended strand (participates in β ladder)trans-80.4-33.9179.2-175.5176.4175.4161.6-1.9111.8I248 L255I248-R257 WeakPolarHBondContact O-CB 3.43Å; I248-R257 PolarHBondContact O-N 2.88Å; L255-R257 PolarHBondContact O-N 2.77Å
258G90.1Very high90.8Very high9 Ų959.8 Ų59.89%0.09331%0.312CS..EExtended strand (participates in β ladder)trans-179.7166.217700000113.1A247 I248A247-G258 WeakPolarHBondContact CA-O 3.42Å; I248-G258 PolarHBondContact N-O 3.21Å; I248-G258 PolarHBondContact O-N 2.91Å
259C92.4Very high90.7Very high61 Ų6159.5 Ų59.541%0.41231%0.312SS..EExtended strand (participates in β ladder)trans-116.8144178.1-54.50000110.9L246L246-C259 CarbonylContact O-C 3.53Å; L246-C259 WeakPolarHBondContact O-CA 3.34Å; L246-C259 WeakPolarHBondContact O-CB 3.3Å
260L92.6Very high90.7Very high4 Ų459.7 Ų59.72%0.02131%0.314CS..EExtended strand (participates in β ladder)trans-97.9129.6172.1-53163.7000108.2L246 I248 V279 H291 L293 R296L246-L260 HydrophobicContact CB-CB 3.91Å; L246-L260 HydrophobicContact CB-CD1 4.2Å; L246-L260 HydrophobicContact CB-CG 4.43Å; L246-L260 HydrophobicContact CD1-CB 4.24Å; L246-L260 HydrophobicContact CD1-CD1 4.21Å; L246-L260 PolarHBondContact O-N 2.99Å; I248-L260 HydrophobicContact CD1-CD2 4.39Å; L260-V279 HydrophobicContact CD1-CG1 3.71Å; L260-H291 HydrophobicContact CD1-CB 4.13Å; L260-H291 HydrophobicContact CD2-CB 4.11Å; L260-L293 HydrophobicContact CD1-CD2 4.38Å; L260-R296 HydrophobicContact CD2-CB 3.7Å; L260-R296 HydrophobicContact CD2-CG 3.94Å
261K88Confident90.8Very high183 Ų18360.2 Ų60.280%0.79632%0.315SS*.  trans-109.5161.2-176-64.9-176.1178.3-178.80111.1
262G83.1Confident90.9Very high50 Ų5059.6 Ų59.652%0.51531%0.312SS..  trans113.31.8170.500000115.6R289G262-R289 VanDerWaalsContact O-CZ 3.26Å; G262-R289 PolarHBondContact O-NE 3.34Å; G262-R289 PolarHBondContact O-NH2 3.06Å
263L89.1Confident91.1Very high24 Ų2451.3 Ų51.313%0.12628%0.281CS..  trans-89.7145.9169.4-61.883.4000109.7G244 L246 V267G244-L263 VanDerWaalsContact O-CB 3.25Å; G244-L263 WeakPolarHBondContact O-CB 3.2Å; L246-L263 HydrophobicContact CD1-CD1 3.49Å; L246-L263 VanDerWaalsContact CD1-CD1 3.49Å; L246-L263 HydrophobicContact CD1-CD2 3.93Å; L246-L263 HydrophobicContact CD1-CG 4.4Å; L246-L263 HydrophobicContact CG-CD1 4.19Å; L246-L263 HydrophobicContact CG-CD2 4.36Å; L263-V267 HydrophobicContact CD2-CG2 3.92Å
264A87.9Confident91Very high88 Ų8847.7 Ų47.773%0.72727%0.273SS*.  trans-128.135.8-175.400000111.6D285A264-D285 PolarHBondContact N-OD2 2.74Å
265G89.8Confident90.9Very high16 Ų1650.3 Ų50.317%0.16529%0.289CS..SBendtrans177.4163.7179.800000111.9G244 V267G244-G265 WeakPolarHBondContact CA-O 3.36Å; G244-G265 PolarHBondContact N-O 2.93Å; G265-V267 PolarHBondContact O-N 2.82Å
266G92.4Very high90.8Very high6 Ų647.4 Ų47.46%0.06227%0.274CS..  trans-58.7134.5-174.100000114.2T242 G283 L284T242-G266 VanDerWaalsContact C-CA 3.45Å; T242-G266 WeakPolarHBondContact O-CA 3.35Å; T242-G266 PolarHBondContact O-N 3.37Å; G266-G283 WeakPolarHBondContact O-CA 3.43Å; G266-L284 PolarHBondContact O-N 2.86Å; G266-L284 VanDerWaalsContact O-N 3.08Å
267V95.1Very high90.6Very high2 Ų246.2 Ų46.21%0.01227%0.268CS..EExtended strand (participates in β ladder)trans-73.1126176.7-172.40000108.1T226 A227 N241 L246 L263 G265 L270T226-V267 WeakPolarHBondContact CB-O 3.15Å; T226-V267 PolarHBondContact OG1-O 2.97Å; A227-V267 HydrophobicContact CB-CG1 4.3Å; N241-V267 PolarHBondContact O-N 2.84Å; N241-V267 VanDerWaalsContact O-N 3.08Å; L246-V267 HydrophobicContact CD2-CG1 4.29Å; L246-V267 HydrophobicContact CD2-CG2 3.94Å; L246-V267 HydrophobicContact CG-CG2 4.34Å; L263-V267 HydrophobicContact CD2-CG2 3.92Å; G265-V267 PolarHBondContact O-N 2.82Å; V267-L270 HydrophobicContact CG1-CB 4.43Å
268R93.9Very high90.7Very high62 Ų6237.9 Ų37.923%0.23424%0.237CC..EExtended strand (participates in β ladder)trans-111.2-35.1175.6-72.8-170.6-73-163.2-11.7112.2E15 C282 G283 L308 N309E15-R268 IonicContact OE2-NH1 3.35Å; R268-C282 PolarHBondContact N-O 3.16Å; R268-G283 PolarHBondContact NH2-O 3.16Å; R268-L308 PolarHBondContact NE-O 3.37Å; R268-L308 VanDerWaalsContact NH2-N 3.13Å; R268-L308 PolarHBondContact NH2-O 3.04Å; R268-N309 CarbonylContact C-O 3.58Å; R268-N309 VanDerWaalsContact C-O 3.22Å; R268-N309 WeakPolarHBondContact CB-O 3.43Å; R268-N309 VanDerWaalsContact CZ-OD1 3.3Å; R268-N309 PolarHBondContact NE-OD1 2.77Å; R268-N309 PolarHBondContact NH1-OD1 2.86Å
269G92.6Very high90.9Very high6 Ų637.5 Ų37.56%0.06223%0.232CC..EExtended strand (participates in β ladder)trans-126.6137.9175.200000111.2C282 N309G269-C282 VanDerWaalsContact CA-SG 3.53Å; G269-C282 PolarHBondContact N-O 3.4Å; G269-C282 PolarHBondContact O-N 3.13Å; G269-N309 PolarHBondContact N-O 3.38Å
270L95.1Very high91Very high7 Ų734.6 Ų34.64%0.03721%0.213CC..EExtended strand (participates in β ladder)trans-141128.1177.9-173.671.7000108A227 V238 L246 V267 V279 T281A227-L270 HydrophobicContact CB-CB 3.69Å; V238-L270 HydrophobicContact CB-CD2 4.12Å; V238-L270 HydrophobicContact CG1-CD1 4.3Å; V238-L270 HydrophobicContact CG1-CD2 3.98Å; V238-L270 VanDerWaalsContact O-CD2 3.25Å; V238-L270 WeakPolarHBondContact O-CD2 3.49Å; L246-L270 HydrophobicContact CD2-CD1 3.75Å; V267-L270 HydrophobicContact CG1-CB 4.43Å; L270-V279 HydrophobicContact CD1-CG2 3.5Å; L270-V279 VanDerWaalsContact CD1-CG2 3.5Å; L270-V279 HydrophobicContact CG-CG2 4.16Å; L270-T281 HydrophobicContact CD1-CG2 3.42Å; L270-T281 VanDerWaalsContact CD1-CG2 3.42Å
271Q94.6Very high91.1Very high36 Ų3634.4 Ų34.417%0.16821%0.212CC..EExtended strand (participates in β ladder)trans-144.9125.3173.1-176.2159.8-17.800110.6S229 A280 V311 L312 L313S229-Q271 WeakPolarHBondContact OG-CA 3.4Å; Q271-A280 PolarHBondContact N-O 3.31Å; Q271-A280 PolarHBondContact O-N 2.87Å; Q271-V311 HydrophobicContact CB-CG1 4.03Å; Q271-V311 PolarHBondContact OE1-O 3.08Å; Q271-V311 VanDerWaalsContact OE1-O 3.05Å; Q271-L312 VanDerWaalsContact OE1-CA 3.25Å; Q271-L313 HydrophobicContact CG-CB 4.26Å; Q271-L313 HydrophobicContact CG-CD1 4.44Å; Q271-L313 HydrophobicContact CG-CG 4.46Å; Q271-L313 VanDerWaalsContact O-CD1 3.31Å; Q271-L313 WeakPolarHBondContact O-CD1 3.27Å
272C93.5Very high91.4Very high7 Ų725.7 Ų25.75%0.04717%0.174CC..EExtended strand (participates in β ladder)trans-80.2149.7167.5-68.40000110.4S229 L230 P231 L278S229-C272 PolarHBondContact OG-N 2.88Å; L230-C272 VanDerWaalsContact O-CB 3.27Å; L230-C272 WeakPolarHBondContact O-CB 3.33Å; P231-C272 HydrophobicContact CB-CB 4.35Å; C272-L278 WeakPolarHBondContact CA-O 3.33Å
273H91.6Very high91.9Very high1 Ų123.4 Ų23.41%0.00515%0.15CC..  trans-73.5141.3171.4-172.5-85.7000109.8S275 L276 L278 L313 S314 L318H273-S275 PolarHBondContact CE1-OG 2.86Å; H273-S275 PolarHBondContact ND1-N 2.62Å; H273-S275 PolarHBondContact ND1-OG 2.86Å; H273-S275 PolarHBondContact O-N 3.25Å; H273-L276 HydrophobicContact CB-CB 4.37Å; H273-L276 WeakPolarHBondContact CB-O 3.42Å; H273-L276 WeakPolarHBondContact ND1-CB 3.3Å; H273-L276 PolarHBondContact ND1-N 3.3Å; H273-L278 HydrophobicContact CB-CB 3.96Å; H273-L278 PolarHBondContact N-O 3.01Å; H273-L313 HydrophobicContact CB-CD1 4.13Å; H273-S314 PolarHBondContact CD2-O 2.91Å; H273-S314 VanDerWaalsContact CD2-O 3.29Å; H273-S314 PolarHBondContact NE2-O 2.78Å; H273-L318 WeakPolarHBondContact CD2-CD1 3.4Å; H273-L318 VanDerWaalsContact NE2-CD1 3.26Å; H273-L318 WeakPolarHBondContact NE2-CD1 3.23Å
274P85.9Confident92.1Very high77 Ų7726.2 Ų26.250%0.517%0.165SC..SBendtrans-69.1-30.4-173.223.7-33.5000114.6A232A232-P274 WeakPolarHBondContact CB-O 3.49Å
275S86Confident92.3Very high69 Ų6922.9 Ų22.948%0.48314%0.135SC..SBendtrans-111.6-55.1178.761.70000113.2A232 H273A232-S275 WeakPolarHBondContact CB-O 3.31Å; H273-S275 PolarHBondContact CE1-OG 2.86Å; H273-S275 PolarHBondContact ND1-N 2.62Å; H273-S275 PolarHBondContact ND1-OG 2.86Å; H273-S275 PolarHBondContact O-N 3.25Å
276L88.6Confident92.4Very high47 Ų4727.6 Ų27.625%0.24615%0.148CC..SBendtrans-68.6148.4178-55.7173.9000113.3H273 L278 L318 L320H273-L276 HydrophobicContact CB-CB 4.37Å; H273-L276 WeakPolarHBondContact CB-O 3.42Å; H273-L276 WeakPolarHBondContact ND1-CB 3.3Å; H273-L276 PolarHBondContact ND1-N 3.3Å; L276-L278 HydrophobicContact CB-CD1 4.24Å; L276-L278 HydrophobicContact CB-CG 4.12Å; L276-L278 HydrophobicContact CD1-CD1 4.16Å; L276-L278 PolarHBondContact O-N 2.9Å; L276-L318 HydrophobicContact CD1-CB 3.97Å; L276-L318 HydrophobicContact CD1-CD1 4.48Å; L276-L320 HydrophobicContact CD1-CD1 4.4Å
277P90.2Very high92.5Very high36 Ų3629.8 Ų29.823%0.23416%0.156CC..SBendtrans-77.855176.934.8-37.9000111.7L293 E294P277-L293 HydrophobicContact CB-CB 4.26Å; P277-L293 WeakPolarHBondContact O-CB 3.42Å; P277-L293 PolarHBondContact O-N 2.92Å; P277-E294 HydrophobicContact CB-CG 3.94Å; P277-E294 HydrophobicContact CG-CG 4.02Å
278L91.8Very high92.4Very high5 Ų529.7 Ų29.73%0.02616%0.155CC..EExtended strand (participates in β ladder)trans-114.4150.6-179.8-64.6177.5000111.4C272 H273 L276 V290 H291 L318 L320C272-L278 WeakPolarHBondContact CA-O 3.33Å; H273-L278 HydrophobicContact CB-CB 3.96Å; H273-L278 PolarHBondContact N-O 3.01Å; L276-L278 HydrophobicContact CB-CD1 4.24Å; L276-L278 HydrophobicContact CB-CG 4.12Å; L276-L278 HydrophobicContact CD1-CD1 4.16Å; L276-L278 PolarHBondContact O-N 2.9Å; L278-V290 HydrophobicContact CB-CG1 4.35Å; L278-V290 HydrophobicContact CD1-CG1 4.42Å; L278-V290 HydrophobicContact CD2-CG1 4.23Å; L278-H291 WeakPolarHBondContact CA-O 3.37Å; L278-L318 HydrophobicContact CD1-CD2 3.82Å; L278-L320 HydrophobicContact CD1-CD1 4.03Å; L278-L320 HydrophobicContact CD1-CD2 4.05Å; L278-L320 HydrophobicContact CD1-CG 4.35Å; L278-L320 HydrophobicContact CD2-CD1 4.31Å; L278-L320 HydrophobicContact CG-CD1 4.47Å
279V94.2Very high92.5Very high0 Ų027.1 Ų27.10%015%0.145CC..EExtended strand (participates in β ladder)trans-133.5126.317064.90000111.4V238 L260 L270 T281 V290 H291 L293V238-V279 HydrophobicContact CG1-CG2 4.3Å; L260-V279 HydrophobicContact CD1-CG1 3.71Å; L270-V279 HydrophobicContact CD1-CG2 3.5Å; L270-V279 VanDerWaalsContact CD1-CG2 3.5Å; L270-V279 HydrophobicContact CG-CG2 4.16Å; V279-T281 HydrophobicContact CG2-CG2 4.26Å; V279-V290 CarbonylContact O-C 3.55Å; V279-V290 VanDerWaalsContact O-CA 3.31Å; V279-V290 WeakPolarHBondContact O-CA 3.49Å; V279-H291 HydrophobicContact CG1-CB 3.9Å; V279-H291 PolarHBondContact N-O 2.93Å; V279-H291 PolarHBondContact O-N 2.88Å; V279-L293 HydrophobicContact CB-CD2 3.99Å; V279-L293 HydrophobicContact CB-CG 4.4Å; V279-L293 HydrophobicContact CG1-CD2 3.62Å; V279-L293 HydrophobicContact CG1-CG 4.31Å
280A94.8Very high92.5Very high0 Ų026.9 Ų26.90%014%0.143CC..EExtended strand (participates in β ladder)trans-96.7136.8171.700000110.6Q271 L288 R289 V290 V311 L313Q271-A280 PolarHBondContact N-O 3.31Å; Q271-A280 PolarHBondContact O-N 2.87Å; A280-L288 HydrophobicContact CB-CD1 4.41Å; A280-R289 WeakPolarHBondContact CA-O 3.4Å; A280-V290 HydrophobicContact CB-CG2 4.36Å; A280-V311 HydrophobicContact CB-CG2 3.92Å; A280-L313 HydrophobicContact CB-CD1 3.65Å; A280-L313 HydrophobicContact CB-CD2 3.78Å; A280-L313 HydrophobicContact CB-CG 3.72Å
281T95.3Very high92.5Very high0 Ų026.6 Ų26.60%014%0.141CC..EExtended strand (participates in β ladder)trans-133.3135.3-17258.80000109.3L246 L270 V279 R289L246-T281 HydrophobicContact CD1-CG2 3.32Å; L246-T281 HydrophobicContact CD2-CG2 4.17Å; L246-T281 HydrophobicContact CG-CG2 4.4Å; L270-T281 HydrophobicContact CD1-CG2 3.42Å; L270-T281 VanDerWaalsContact CD1-CG2 3.42Å; V279-T281 HydrophobicContact CG2-CG2 4.26Å; T281-R289 PolarHBondContact N-O 3.02Å; T281-R289 PolarHBondContact O-N 2.91Å; T281-R289 WeakPolarHBondContact OG1-CB 3.44Å; T281-R289 PolarHBondContact OG1-O 2.81Å
282C94.1Very high92.4Very high1 Ų125.2 Ų25.21%0.00714%0.136CC..EExtended strand (participates in β ladder)trans-140.8151.8175.676.20000111V12 R268 G269 L288 L308 C310 V311V12-C282 HydrophobicContact CG1-CB 4.45Å; R268-C282 PolarHBondContact N-O 3.16Å; G269-C282 VanDerWaalsContact CA-SG 3.53Å; G269-C282 PolarHBondContact N-O 3.4Å; G269-C282 PolarHBondContact O-N 3.13Å; C282-L288 HydrophobicContact CB-CD1 4.49Å; C282-L308 HydrophobicContact CB-CB 3.8Å; C282-L308 HydrophobicContact CB-CD1 3.84Å; C282-L308 HydrophobicContact CB-CG 4.48Å; C282-C310 VanDerWaalsContact SG-C 3.59Å; C282-V311 HydrophobicContact CB-CB 4.37Å
283G92.6Very high92.2Very high2 Ų226.1 Ų26.12%0.02114%0.14CC..EExtended strand (participates in β ladder)trans-166.1-152.8-173.200000115.4G266 R268 D285 L308G266-G283 WeakPolarHBondContact O-CA 3.43Å; R268-G283 PolarHBondContact NH2-O 3.16Å; G283-D285 VanDerWaalsContact C-N 3.3Å; G283-L308 PolarHBondContact O-N 3.14Å
284L93.8Very high92.1Very high82 Ų8232.6 Ų32.643%0.42917%0.17SC..THydrogen-bonded Turntrans-74.4-20.3179.8-72.4166.3000113.6G266 R286G266-L284 PolarHBondContact O-N 2.86Å; G266-L284 VanDerWaalsContact O-N 3.08Å; L284-R286 PolarHBondContact O-N 3.15Å
285D92.3Very high92.2Very high19 Ų1934.3 Ų34.310%0.10218%0.175CC..THydrogen-bonded Turntrans-78.8-2.2-175.770.1-2.5000114.4A264 G283 F287 R289A264-D285 PolarHBondContact N-OD2 2.74Å; G283-D285 VanDerWaalsContact C-N 3.3Å; D285-F287 WeakPolarHBondContact O-CD2 3.24Å; D285-F287 PolarHBondContact O-N 3.44Å; D285-F287 PolarHBondContact OD1-N 2.99Å; D285-R289 IonicContact OD1-NH1 3.5Å; D285-R289 PolarHBondContact OD1-NH1 3.05Å; D285-R289 IonicContact OD2-CZ 3.12Å; D285-R289 IonicContact OD2-NH1 2.64Å; D285-R289 PolarHBondContact OD2-NH1 2.96Å; D285-R289 IonicContact OD2-NH2 2.81Å; D285-R289 PolarHBondContact OD2-NH2 3.2Å
286R93.1Very high92.4Very high114 Ų11437.6 Ų37.643%0.4318%0.177SC..SBendtrans67.613.3175.4-47175-74-162.5-3.2114.7L284 Y303 L304 S306 R307L284-R286 PolarHBondContact O-N 3.15Å; R286-Y303 HydrophobicContact CB-CD2 4.43Å; R286-Y303 HydrophobicContact CB-CE2 3.89Å; R286-L304 PolarHBondContact O-N 2.9Å; R286-S306 WeakPolarHBondContact CA-O 3.44Å; R286-S306 VanDerWaalsContact CB-O 3.3Å; R286-S306 WeakPolarHBondContact CB-O 3.35Å; R286-R307 HydrophobicContact CG-CG 4.25Å
287F93.6Very high92.6Very high52 Ų5237.4 Ų37.423%0.22818%0.18CC..EExtended strand (participates in β ladder)trans-107.6140.8174.3-71.5-89.4000110D285 R289 K301 V302 Y303D285-F287 WeakPolarHBondContact O-CD2 3.24Å; D285-F287 PolarHBondContact O-N 3.44Å; D285-F287 PolarHBondContact OD1-N 2.99Å; F287-R289 VanDerWaalsContact CB-NH1 3.28Å; F287-K301 HydrophobicContact CD1-CD 4.4Å; F287-K301 HydrophobicContact CD1-CG 3.84Å; F287-K301 HydrophobicContact CE1-CG 4.37Å; F287-V302 CarbonylContact C-O 3.58Å; F287-V302 WeakPolarHBondContact CA-O 3.31Å; F287-Y303 AromaticContact CD1-CD2 3.94Å; F287-Y303 HydrophobicContact CD1-CD2 3.94Å; F287-Y303 HydrophobicContact CD1-CG 4.38Å; F287-Y303 HydrophobicContact CD2-CD2 4.14Å; F287-Y303 AromaticContact CE1-CD2 3.59Å; F287-Y303 HydrophobicContact CE1-CD2 3.59Å; F287-Y303 AromaticContact CE1-CG 3.9Å; F287-Y303 HydrophobicContact CE1-CG 3.9Å; F287-Y303 AromaticContact CE2-CD2 3.77Å; F287-Y303 HydrophobicContact CE2-CD2 3.77Å; F287-Y303 HydrophobicContact CE2-CE2 4.16Å; F287-Y303 HydrophobicContact CG-CD2 4.2Å; F287-Y303 AromaticContact CZ-CD2 3.47Å; F287-Y303 HydrophobicContact CZ-CD2 3.47Å; F287-Y303 VanDerWaalsContact CZ-CD2 3.47Å; F287-Y303 HydrophobicContact CZ-CE2 4.14Å; F287-Y303 HydrophobicContact CZ-CG 4.11Å
288L94.1Very high92.7Very high1 Ų139.3 Ų39.31%0.00519%0.188CC..EExtended strand (participates in β ladder)trans-90.3127160.2176.569.9000107.5V10 V12 V22 A280 C282 V302 L304 V311V10-L288 HydrophobicContact CB-CD2 3.96Å; V10-L288 HydrophobicContact CG1-CD1 4.08Å; V10-L288 HydrophobicContact CG1-CD2 3.79Å; V10-L288 HydrophobicContact CG2-CD2 4.19Å; V12-L288 HydrophobicContact CG2-CD1 4.16Å; V12-L288 HydrophobicContact CG2-CD2 4.23Å; V22-L288 HydrophobicContact CB-CD2 3.93Å; V22-L288 HydrophobicContact CG1-CD2 4.03Å; V22-L288 HydrophobicContact CG2-CD2 3.79Å; A280-L288 HydrophobicContact CB-CD1 4.41Å; C282-L288 HydrophobicContact CB-CD1 4.49Å; L288-V302 HydrophobicContact CB-CB 4.49Å; L288-V302 PolarHBondContact N-O 3.49Å; L288-V302 PolarHBondContact O-N 2.79Å; L288-L304 HydrophobicContact CB-CD1 3.92Å; L288-L304 HydrophobicContact CB-CG 4.46Å; L288-V311 HydrophobicContact CD1-CG2 3.99Å
289R94Very high92.6Very high7 Ų743.3 Ų43.33%0.02621%0.206CC..EExtended strand (participates in β ladder)trans-122.7136.6173.2-69.2177.8-166.772.2-8.3111.4G262 A280 T281 D285 F287 L298 H300 K301G262-R289 VanDerWaalsContact O-CZ 3.26Å; G262-R289 PolarHBondContact O-NE 3.34Å; G262-R289 PolarHBondContact O-NH2 3.06Å; A280-R289 WeakPolarHBondContact CA-O 3.4Å; T281-R289 PolarHBondContact N-O 3.02Å; T281-R289 PolarHBondContact O-N 2.91Å; T281-R289 WeakPolarHBondContact OG1-CB 3.44Å; T281-R289 PolarHBondContact OG1-O 2.81Å; D285-R289 IonicContact OD1-NH1 3.5Å; D285-R289 PolarHBondContact OD1-NH1 3.05Å; D285-R289 IonicContact OD2-CZ 3.12Å; D285-R289 IonicContact OD2-NH1 2.64Å; D285-R289 PolarHBondContact OD2-NH1 2.96Å; D285-R289 IonicContact OD2-NH2 2.81Å; D285-R289 PolarHBondContact OD2-NH2 3.2Å; F287-R289 VanDerWaalsContact CB-NH1 3.28Å; R289-L298 HydrophobicContact CB-CD1 3.76Å; R289-L298 HydrophobicContact CG-CD1 3.84Å; R289-H300 VanDerWaalsContact CA-O 3.27Å; R289-H300 WeakPolarHBondContact CA-O 3.43Å; R289-K301 HydrophobicContact CG-CB 4.44Å; R289-K301 HydrophobicContact CG-CG 4.25Å
290V94.2Very high92.4Very high1 Ų144.2 Ų44.21%0.00621%0.211CC..EExtended strand (participates in β ladder)trans-113.8123.2172.9-175.70000108.3L24 L278 V279 A280 Q299 H300L24-V290 HydrophobicContact CD1-CG2 4.22Å; L24-V290 HydrophobicContact CD2-CG2 3.86Å; L278-V290 HydrophobicContact CB-CG1 4.35Å; L278-V290 HydrophobicContact CD1-CG1 4.42Å; L278-V290 HydrophobicContact CD2-CG1 4.23Å; V279-V290 CarbonylContact O-C 3.55Å; V279-V290 VanDerWaalsContact O-CA 3.31Å; V279-V290 WeakPolarHBondContact O-CA 3.49Å; A280-V290 HydrophobicContact CB-CG2 4.36Å; V290-Q299 PolarHBondContact O-N 2.79Å; V290-H300 HydrophobicContact CB-CB 4.12Å; V290-H300 HydrophobicContact CG2-CB 4.3Å; V290-H300 PolarHBondContact N-O 3.41Å; V290-H300 PolarHBondContact O-N 2.86Å
291H94.2Very high92.4Very high1 Ų150 Ų501%0.00524%0.236CC..EExtended strand (participates in β ladder)trans-113.2147.8177.6-56.985000110.4L260 L278 V279 S297L260-H291 HydrophobicContact CD1-CB 4.13Å; L260-H291 HydrophobicContact CD2-CB 4.11Å; L278-H291 WeakPolarHBondContact CA-O 3.37Å; V279-H291 HydrophobicContact CG1-CB 3.9Å; V279-H291 PolarHBondContact N-O 2.93Å; V279-H291 PolarHBondContact O-N 2.88Å; H291-S297 VanDerWaalsContact CA-O 3.3Å; H291-S297 WeakPolarHBondContact CA-O 3.33Å
292S92.6Very high92.2Very high8 Ų850.8 Ų50.86%0.05624%0.24CC..EExtended strand (participates in β ladder)trans-80133.8164.3174.40000109.4E294 R296 S297S292-E294 PolarHBondContact OG-N 3.29Å; S292-R296 WeakPolarHBondContact O-CA 3.39Å; S292-R296 PolarHBondContact O-N 2.83Å; S292-S297 PolarHBondContact N-O 3.18Å
293L90.2Very high92.2Very high26 Ų2655.4 Ų55.414%0.13626%0.258CS..THydrogen-bonded Turntrans-80-23178.6-65.4174.9000112.7P231 V238 I248 L260 P277 V279P231-L293 HydrophobicContact CB-CD1 3.54Å; P231-L293 HydrophobicContact CG-CD1 4.35Å; V238-L293 HydrophobicContact CG2-CD1 4.43Å; V238-L293 HydrophobicContact CG2-CD2 3.75Å; I248-L293 HydrophobicContact CD1-CB 4.42Å; I248-L293 HydrophobicContact CD1-CD2 3.72Å; I248-L293 HydrophobicContact CG1-CD2 4.14Å; L260-L293 HydrophobicContact CD1-CD2 4.38Å; P277-L293 HydrophobicContact CB-CB 4.26Å; P277-L293 WeakPolarHBondContact O-CB 3.42Å; P277-L293 PolarHBondContact O-N 2.92Å; V279-L293 HydrophobicContact CB-CD2 3.99Å; V279-L293 HydrophobicContact CB-CG 4.4Å; V279-L293 HydrophobicContact CG1-CD2 3.62Å; V279-L293 HydrophobicContact CG1-CG 4.31Å
294E88.9Confident92.1Very high136 Ų13655.6 Ų55.664%0.63626%0.259SS*.THydrogen-bonded Turntrans-77.5-56.5178.5-66-179.6172.800110.6P277 S292P277-E294 HydrophobicContact CB-CG 3.94Å; P277-E294 HydrophobicContact CG-CG 4.02Å; S292-E294 PolarHBondContact OG-N 3.29Å
295D88Confident91.9Very high113 Ų11359.6 Ų59.660%0.60427%0.273SS*.THydrogen-bonded Turntrans-83.8-17.4-176.9-62.2-37000113S297D295-S297 PolarHBondContact O-N 2.98Å
296R90.7Very high91.8Very high138 Ų13859.4 Ų59.452%0.52127%0.272SS..  trans59.219.3-171.2-60.1168.3-68.3177.81.3113.1I248 L260 S292I248-R296 HydrophobicContact CD1-CG 4.28Å; L260-R296 HydrophobicContact CD2-CB 3.7Å; L260-R296 HydrophobicContact CD2-CG 3.94Å; S292-R296 WeakPolarHBondContact O-CA 3.39Å; S292-R296 PolarHBondContact O-N 2.83Å
297S91.7Very high91.8Very high44 Ų4459.9 Ų59.931%0.30827%0.274SS..  trans-85.9150178.961.70000111.3H291 S292 D295 Q299H291-S297 VanDerWaalsContact CA-O 3.3Å; H291-S297 WeakPolarHBondContact CA-O 3.33Å; S292-S297 PolarHBondContact N-O 3.18Å; D295-S297 PolarHBondContact O-N 2.98Å; S297-Q299 PolarHBondContact OG-NE2 3.33Å
298L92.8Very high91.8Very high76 Ų7657.4 Ų57.440%0.39826%0.263SS..EExtended strand (participates in β ladder)trans-80.3116.9171.8176.466.8000108.9R289 H300 K301R289-L298 HydrophobicContact CB-CD1 3.76Å; R289-L298 HydrophobicContact CG-CD1 3.84Å; L298-H300 WeakPolarHBondContact CD1-O 3.44Å; L298-K301 HydrophobicContact CD2-CB 4.21Å; L298-K301 HydrophobicContact CD2-CD 4.47Å
299Q90.5Very high91.7Very high89 Ų8958 Ų5842%0.41627%0.266SS..EExtended strand (participates in β ladder)trans-90.1-47.7180-67.3-68.7-12.200111.3V290 S297V290-Q299 PolarHBondContact O-N 2.79Å; S297-Q299 PolarHBondContact OG-NE2 3.33Å
300H90.1Very high91.7Very high19 Ų1957.9 Ų57.99%0.08827%0.267CS..EExtended strand (participates in β ladder)trans-133.1139.9-179-59.6-92.7000111.4L24 R289 V290 L298L24-H300 HydrophobicContact CD2-CB 3.97Å; L24-H300 PolarHBondContact O-CE1 3.19Å; R289-H300 VanDerWaalsContact CA-O 3.27Å; R289-H300 WeakPolarHBondContact CA-O 3.43Å; V290-H300 HydrophobicContact CB-CB 4.12Å; V290-H300 HydrophobicContact CG2-CB 4.3Å; V290-H300 PolarHBondContact N-O 3.41Å; V290-H300 PolarHBondContact O-N 2.86Å; L298-H300 WeakPolarHBondContact CD1-O 3.44Å
301K92.8Very high91.7Very high122 Ų12258.4 Ų58.453%0.5327%0.27SS..EExtended strand (participates in β ladder)trans-133.5113171.7-178.9-177.8177.1-173.50108.5F287 R289 L298F287-K301 HydrophobicContact CD1-CD 4.4Å; F287-K301 HydrophobicContact CD1-CG 3.84Å; F287-K301 HydrophobicContact CE1-CG 4.37Å; R289-K301 HydrophobicContact CG-CB 4.44Å; R289-K301 HydrophobicContact CG-CG 4.25Å; L298-K301 HydrophobicContact CD2-CB 4.21Å; L298-K301 HydrophobicContact CD2-CD 4.47Å
302V93Very high91.7Very high15 Ų1558.7 Ų58.79%0.09127%0.272CS..EExtended strand (participates in β ladder)trans-122124.1-176.6-176.70000109.3V22 A29 F287 L288 L304V22-V302 HydrophobicContact CG1-CB 4.44Å; V22-V302 HydrophobicContact CG1-CG1 4.18Å; V22-V302 HydrophobicContact CG1-CG2 4.12Å; A29-V302 HydrophobicContact CB-CG1 4.4Å; F287-V302 CarbonylContact C-O 3.58Å; F287-V302 WeakPolarHBondContact CA-O 3.31Å; L288-V302 HydrophobicContact CB-CB 4.49Å; L288-V302 PolarHBondContact N-O 3.49Å; L288-V302 PolarHBondContact O-N 2.79Å; V302-L304 HydrophobicContact CG1-CD2 3.99Å
303Y92.8Very high91.7Very high99 Ų9958.5 Ų58.539%0.38827%0.27SS..EExtended strand (participates in β ladder)trans-83121.6176.6-175.2-125.4000110.6R286 F287 K305R286-Y303 HydrophobicContact CB-CD2 4.43Å; R286-Y303 HydrophobicContact CB-CE2 3.89Å; F287-Y303 AromaticContact CD1-CD2 3.94Å; F287-Y303 HydrophobicContact CD1-CD2 3.94Å; F287-Y303 HydrophobicContact CD1-CG 4.38Å; F287-Y303 HydrophobicContact CD2-CD2 4.14Å; F287-Y303 AromaticContact CE1-CD2 3.59Å; F287-Y303 HydrophobicContact CE1-CD2 3.59Å; F287-Y303 AromaticContact CE1-CG 3.9Å; F287-Y303 HydrophobicContact CE1-CG 3.9Å; F287-Y303 AromaticContact CE2-CD2 3.77Å; F287-Y303 HydrophobicContact CE2-CD2 3.77Å; F287-Y303 HydrophobicContact CE2-CE2 4.16Å; F287-Y303 HydrophobicContact CG-CD2 4.2Å; F287-Y303 AromaticContact CZ-CD2 3.47Å; F287-Y303 HydrophobicContact CZ-CD2 3.47Å; F287-Y303 VanDerWaalsContact CZ-CD2 3.47Å; F287-Y303 HydrophobicContact CZ-CE2 4.14Å; F287-Y303 HydrophobicContact CZ-CG 4.11Å; Y303-K305 HydrophobicContact CD1-CG 3.78Å; Y303-K305 HydrophobicContact CE1-CB 4.18Å; Y303-K305 HydrophobicContact CE1-CG 3.46Å; Y303-K305 VanDerWaalsContact CE1-CG 3.46Å
304L90.8Very high91.6Very high5 Ų557.7 Ų57.73%0.02627%0.266CS..  trans-1055-176-65.8-177.6000113.5V12 K20 V22 A29 R286 L288 V302 S306 L308V12-L304 HydrophobicContact CB-CD1 4.23Å; V12-L304 HydrophobicContact CG1-CD1 4.26Å; V12-L304 HydrophobicContact CG2-CD1 4.07Å; K20-L304 HydrophobicContact CD-CB 4.28Å; K20-L304 HydrophobicContact CD-CD2 4.4Å; K20-L304 PolarHBondContact NZ-O 3.22Å; V22-L304 HydrophobicContact CG2-CD1 4.19Å; V22-L304 HydrophobicContact CG2-CD2 3.86Å; A29-L304 HydrophobicContact CB-CD2 3.3Å; R286-L304 PolarHBondContact O-N 2.9Å; L288-L304 HydrophobicContact CB-CD1 3.92Å; L288-L304 HydrophobicContact CB-CG 4.46Å; V302-L304 HydrophobicContact CG1-CD2 3.99Å; L304-S306 PolarHBondContact O-N 3.03Å; L304-S306 PolarHBondContact O-OG 3.44Å; L304-L308 HydrophobicContact CB-CD1 4.32Å; L304-L308 HydrophobicContact CB-CD2 4.02Å; L304-L308 HydrophobicContact CD1-CD1 3.72Å; L304-L308 HydrophobicContact CD1-CD2 3.92Å; L304-L308 HydrophobicContact CD1-CG 4.45Å; L304-L308 HydrophobicContact CG-CD1 4.44Å
305K89.5Confident91.2Very high167 Ų16753.5 Ų53.573%0.72625%0.252SS*.SBendtrans60-10.7177.9-59179.8178.5-175.80116.2Y303Y303-K305 HydrophobicContact CD1-CG 3.78Å; Y303-K305 HydrophobicContact CE1-CB 4.18Å; Y303-K305 HydrophobicContact CE1-CG 3.46Å; Y303-K305 VanDerWaalsContact CE1-CG 3.46Å
306S89.9Confident90.5Very high14 Ų1453.5 Ų53.510%0.09825%0.247CC..SBendtrans-125.6153.7-17861.20000111.4K20 R286 L304 L308K20-S306 PolarHBondContact NZ-OG 3.06Å; R286-S306 WeakPolarHBondContact CA-O 3.44Å; R286-S306 VanDerWaalsContact CB-O 3.3Å; R286-S306 WeakPolarHBondContact CB-O 3.35Å; L304-S306 PolarHBondContact O-N 3.03Å; L304-S306 PolarHBondContact O-OG 3.44Å; S306-L308 WeakPolarHBondContact O-CD2 3.17Å; S306-L308 WeakPolarHBondContact O-CG 2.89Å
307R92.6Very high88.9Confident124 Ų12453.6 Ų53.647%0.46826%0.258SS..  trans-66.3130.1169.6-83.2-178.6-162.8160.63.3110.2S14 E15 R286S14-R307 WeakPolarHBondContact CA-O 3.28Å; S14-R307 WeakPolarHBondContact CB-O 3.29Å; E15-R307 HydrophobicContact CB-CB 4.26Å; E15-R307 PolarHBondContact N-O 3.3Å; E15-R307 VanDerWaalsContact N-O 3.15Å; E15-R307 IonicContact OE1-NH1 3.84Å; E15-R307 WeakPolarHBondContact OE2-CB 3.18Å; E15-R307 WeakPolarHBondContact OE2-CD 3.46Å; E15-R307 IonicContact OE2-NH1 3.85Å; R286-R307 HydrophobicContact CG-CG 4.25Å
308L93.6Very high87.5Confident0 Ų052.2 Ų52.20%025%0.247CC..EExtended strand (participates in β ladder)trans-111.2135.2-171.4-48170000110.2V12 R268 C282 G283 L304 S306V12-L308 HydrophobicContact CG1-CB 3.82Å; V12-L308 HydrophobicContact CG1-CD1 3.98Å; V12-L308 HydrophobicContact CG1-CD2 3.65Å; V12-L308 HydrophobicContact CG1-CG 3.97Å; R268-L308 PolarHBondContact NE-O 3.37Å; R268-L308 VanDerWaalsContact NH2-N 3.13Å; R268-L308 PolarHBondContact NH2-O 3.04Å; C282-L308 HydrophobicContact CB-CB 3.8Å; C282-L308 HydrophobicContact CB-CD1 3.84Å; C282-L308 HydrophobicContact CB-CG 4.48Å; G283-L308 PolarHBondContact O-N 3.14Å; L304-L308 HydrophobicContact CB-CD1 4.32Å; L304-L308 HydrophobicContact CB-CD2 4.02Å; L304-L308 HydrophobicContact CD1-CD1 3.72Å; L304-L308 HydrophobicContact CD1-CD2 3.92Å; L304-L308 HydrophobicContact CD1-CG 4.45Å; L304-L308 HydrophobicContact CG-CD1 4.44Å; S306-L308 WeakPolarHBondContact O-CD2 3.17Å; S306-L308 WeakPolarHBondContact O-CG 2.89Å
309N93.3Very high85.5Confident13 Ų1356.7 Ų56.77%0.0727%0.266CS..EExtended strand (participates in β ladder)trans-105.7-43.5-176.2-75.3-24.5000113G13 E43 V44 R268 G269G13-N309 PolarHBondContact O-N 2.86Å; E43-N309 WeakPolarHBondContact CG-ND2 3.25Å; E43-N309 PolarHBondContact OE1-ND2 3.44Å; V44-N309 WeakPolarHBondContact O-CB 3.46Å; V44-N309 PolarHBondContact O-ND2 2.94Å; V44-N309 VanDerWaalsContact O-ND2 3.08Å; R268-N309 CarbonylContact C-O 3.58Å; R268-N309 VanDerWaalsContact C-O 3.22Å; R268-N309 WeakPolarHBondContact CB-O 3.43Å; R268-N309 VanDerWaalsContact CZ-OD1 3.3Å; R268-N309 PolarHBondContact NE-OD1 2.77Å; R268-N309 PolarHBondContact NH1-OD1 2.86Å; G269-N309 PolarHBondContact N-O 3.38Å
310C93.1Very high83.5Confident6 Ų655.8 Ų55.84%0.04126%0.264CS..EExtended strand (participates in β ladder)trans-136.4154.5-174.247.50000109.9V12 G13 L47 C282V12-C310 WeakPolarHBondContact CA-O 3.05Å; V12-C310 VanDerWaalsContact CG1-O 3.27Å; V12-C310 WeakPolarHBondContact CG1-O 3.1Å; G13-C310 PolarHBondContact N-O 3.33Å; G13-C310 VanDerWaalsContact N-O 3.11Å; L47-C310 HydrophobicContact CD1-CB 4.42Å; L47-C310 HydrophobicContact CG-CB 4.42Å; L47-C310 VanDerWaalsContact CG-SG 3.59Å; C282-C310 VanDerWaalsContact SG-C 3.59Å
311V95.1Very high81Confident11 Ų1158.2 Ų58.27%0.06728%0.282CS..EExtended strand (participates in β ladder)trans-134.6144.2178.9600000107.8V10 W11 V12 Q271 A280 C282 L288V10-V311 HydrophobicContact CG1-CG2 3.55Å; W11-V311 CarbonylContact O-C 3.22Å; W11-V311 WeakPolarHBondContact O-CA 3.37Å; V12-V311 HydrophobicContact CG2-CG2 4.41Å; Q271-V311 HydrophobicContact CB-CG1 4.03Å; Q271-V311 PolarHBondContact OE1-O 3.08Å; Q271-V311 VanDerWaalsContact OE1-O 3.05Å; A280-V311 HydrophobicContact CB-CG2 3.92Å; C282-V311 HydrophobicContact CB-CB 4.37Å; L288-V311 HydrophobicContact CD1-CG2 3.99Å
312L93.6Very high78Confident8 Ų858.2 Ų58.24%0.04230%0.298CS..EExtended strand (participates in β ladder)trans-133.6126175.4-171.872.2000108.9V10 W11 L47 W49 V57 Q271V10-L312 CarbonylContact C-O 3.4Å; V10-L312 WeakPolarHBondContact CA-O 3.38Å; W11-L312 HydrophobicContact CB-CB 4.19Å; W11-L312 PolarHBondContact N-O 3.08Å; W11-L312 PolarHBondContact O-N 3.46Å; L47-L312 HydrophobicContact CB-CB 4.2Å; L47-L312 HydrophobicContact CB-CD2 4.44Å; L47-L312 HydrophobicContact CD1-CB 4.34Å; W49-L312 HydrophobicContact CD2-CD2 3.59Å; W49-L312 HydrophobicContact CD2-CG 4.17Å; W49-L312 VanDerWaalsContact CE2-CD2 3.46Å; W49-L312 HydrophobicContact CE3-CD2 4.02Å; W49-L312 HydrophobicContact CG-CD1 4.34Å; W49-L312 HydrophobicContact CG-CD2 4.05Å; W49-L312 HydrophobicContact CG-CG 4.5Å; W49-L312 HydrophobicContact CH2-CD2 4.18Å; W49-L312 HydrophobicContact CZ2-CD2 3.74Å; W49-L312 HydrophobicContact CZ2-CG 3.78Å; W49-L312 HydrophobicContact CZ3-CD2 4.3Å; V57-L312 HydrophobicContact CG1-CD2 4.06Å; V57-L312 HydrophobicContact CG2-CD2 4.31Å; Q271-L312 VanDerWaalsContact OE1-CA 3.25Å
313L92.1Very high75.1Confident3 Ų362.1 Ų62.12%0.01633%0.326CS..EExtended strand (participates in β ladder)trans-100.9137.5175.5-78.8176.7000110.1V10 W49 Q271 H273 A280V10-L313 HydrophobicContact CB-CD2 4.1Å; V10-L313 HydrophobicContact CG1-CD2 3.88Å; V10-L313 HydrophobicContact CG2-CD2 3.49Å; V10-L313 VanDerWaalsContact CG2-CD2 3.49Å; W49-L313 WeakPolarHBondContact CZ2-O 3.3Å; W49-L313 PolarHBondContact NE1-O 3.23Å; W49-L313 VanDerWaalsContact NE1-O 3.13Å; Q271-L313 HydrophobicContact CG-CB 4.26Å; Q271-L313 HydrophobicContact CG-CD1 4.44Å; Q271-L313 HydrophobicContact CG-CG 4.46Å; Q271-L313 VanDerWaalsContact O-CD1 3.31Å; Q271-L313 WeakPolarHBondContact O-CD1 3.27Å; H273-L313 HydrophobicContact CB-CD1 4.13Å; A280-L313 HydrophobicContact CB-CD1 3.65Å; A280-L313 HydrophobicContact CB-CD2 3.78Å; A280-L313 HydrophobicContact CB-CG 3.72Å
314S88.5Confident72.2Confident9 Ų961.7 Ų61.76%0.06334%0.343CS..  trans-76.3140.9168-179.80000109.7S9 E54 H273 K316S9-S314 WeakPolarHBondContact O-CB 3.14Å; S9-S314 PolarHBondContact O-N 2.86Å; E54-S314 WeakPolarHBondContact OE2-CA 3.08Å; E54-S314 VanDerWaalsContact OE2-CB 3.28Å; E54-S314 WeakPolarHBondContact OE2-CB 3.23Å; E54-S314 PolarHBondContact OE2-OG 3.44Å; H273-S314 PolarHBondContact CD2-O 2.91Å; H273-S314 VanDerWaalsContact CD2-O 3.29Å; H273-S314 PolarHBondContact NE2-O 2.78Å; S314-K316 VanDerWaalsContact C-N 3.33Å; S314-K316 WeakPolarHBondContact OG-CB 3.42Å; S314-K316 PolarHBondContact OG-N 3.3Å
315S81Confident69.6Low49 Ų4968.2 Ų68.234%0.34338%0.382SS..  trans-80.6-14.9173.372.40000112.9E54 D317E54-S315 VanDerWaalsContact CD-OG 3.29Å; E54-S315 WeakPolarHBondContact OE1-CB 3.2Å; E54-S315 PolarHBondContact OE1-N 3.28Å; E54-S315 PolarHBondContact OE1-OG 3Å; E54-S315 PolarHBondContact OE2-N 3.01Å; E54-S315 PolarHBondContact OE2-OG 2.64Å; S315-D317 PolarHBondContact O-N 2.81Å
316K73.1Confident67Low113 Ų11366.9 Ų66.949%0.49139%0.388SS..SBendtrans-57.5134.5175.3-67.1177.3-177.4169.80108.6H53 S314 L318H53-K316 WeakPolarHBondContact O-CE 3.28Å; H53-K316 PolarHBondContact O-NZ 3.24Å; S314-K316 VanDerWaalsContact C-N 3.33Å; S314-K316 WeakPolarHBondContact OG-CB 3.42Å; S314-K316 PolarHBondContact OG-N 3.3Å; K316-L318 PolarHBondContact O-N 3.5Å
317D57Low64.1Low139 Ų13969.3 Ų69.374%0.74342%0.416SS*.  trans-44109.4-175.4-73.4-33.9000110.2S315 E319S315-D317 PolarHBondContact O-N 2.81Å; D317-E319 VanDerWaalsContact C-N 3.33Å; D317-E319 PolarHBondContact O-N 3.26Å
318L62.2Low60.9Low16 Ų1670.9 Ų70.98%0.08443%0.433CS..  trans-66.7105.3164.8-80.285.1000105.1L24 H273 L276 L278 K316 L320L24-L318 HydrophobicContact CD1-CD2 3.21Å; L24-L318 HydrophobicContact CD1-CG 4.33Å; H273-L318 WeakPolarHBondContact CD2-CD1 3.4Å; H273-L318 VanDerWaalsContact NE2-CD1 3.26Å; H273-L318 WeakPolarHBondContact NE2-CD1 3.23Å; L276-L318 HydrophobicContact CD1-CB 3.97Å; L276-L318 HydrophobicContact CD1-CD1 4.48Å; L278-L318 HydrophobicContact CD1-CD2 3.82Å; K316-L318 PolarHBondContact O-N 3.5Å; L318-L320 HydrophobicContact CB-CG 4.28Å; L318-L320 PolarHBondContact O-N 3.02Å
319E50.4Low58Low169 Ų16977.1 Ų77.179%0.7947%0.471SS*.  trans-61.782.4156.7-68.5-169129.500107D317 S321D317-E319 VanDerWaalsContact C-N 3.33Å; D317-E319 PolarHBondContact O-N 3.26Å; E319-S321 VanDerWaalsContact C-N 3.26Å; E319-S321 PolarHBondContact O-N 3.29Å
320L49.7Very low54.9Low71 Ų7185.2 Ų85.237%0.37251%0.509SS..  trans-6497165.7-72.5167.2000105L276 L278 L318 S322L276-L320 HydrophobicContact CD1-CD1 4.4Å; L278-L320 HydrophobicContact CD1-CD1 4.03Å; L278-L320 HydrophobicContact CD1-CD2 4.05Å; L278-L320 HydrophobicContact CD1-CG 4.35Å; L278-L320 HydrophobicContact CD2-CD1 4.31Å; L278-L320 HydrophobicContact CG-CD1 4.47Å; L318-L320 HydrophobicContact CB-CG 4.28Å; L318-L320 PolarHBondContact O-N 3.02Å; L320-S322 VanDerWaalsContact C-N 3.35Å; L320-S322 PolarHBondContact O-N 2.93Å
321S36.9Very low51.9Low69 Ų6993 Ų9348%0.48355%0.545SS..  trans-59.8104.7168.251.50000107.2E319 S323E319-S321 VanDerWaalsContact C-N 3.26Å; E319-S321 PolarHBondContact O-N 3.29Å; S321-S323 PolarHBondContact O-N 3.07Å
322S31.1Very low48.8Very low123 Ų12398.7 Ų98.786%0.8658%0.579SS**  trans-68.672.6168.859.20000108.5L320L320-S322 VanDerWaalsContact C-N 3.35Å; L320-S322 PolarHBondContact O-N 2.93Å
323S31.1Very low45.8Very low97 Ų97107.3 Ų107.368%0.67862%0.616SS**  trans-96.488.6161.9-58.70000106.4S321 V325S321-S323 PolarHBondContact O-N 3.07Å; S323-V325 PolarHBondContact O-N 2.98Å
324A30.9Very low42.9Very low90 Ų90115.7 Ų115.774%0.74466%0.655SS**  trans-43.8127.9160.600000108.7T326A324-T326 PolarHBondContact O-N 3.23Å
325V36.8Very low40.3Very low141 Ų141124.8 Ų124.886%0.85570%0.697SS**SBendtrans-68.296.2-177.5-177.10000108.9S323S323-V325 PolarHBondContact O-N 2.98Å
326T35.9Very low38.2Very low139 Ų139124.9 Ų124.985%0.85371%0.706SS**  trans-136102.7148.253.40000106.3A324A324-T326 PolarHBondContact O-N 3.23Å
327G27.8Very low36.5Very low65 Ų65122.5 Ų122.567%0.6771%0.713SS**SBendtrans165.487.3-177.500000110.9
328D25.3Very low35.9Very low157 Ų157123.9 Ų123.984%0.8472%0.715SS**  trans31.4119.9152.7-60.7-30.5000119.4E330D328-E330 VanDerWaalsContact C-N 3.33Å; D328-E330 PolarHBondContact O-N 2.82Å
329V33.6Very low34.9Very low131 Ų131128.1 Ų128.179%0.79474%0.741SS**  trans-61.898.9155.4-177.60000106.6E331V329-E331 HydrophobicContact CG1-CG 4.19Å; V329-E331 PolarHBondContact O-N 2.92Å
330E28.7Very low34.6Very low184 Ų184125.4 Ų125.486%0.8673%0.732SS**  trans-65.894.3153.6-82.1-170.2159.200106.5D328 V332D328-E330 VanDerWaalsContact C-N 3.33Å; D328-E330 PolarHBondContact O-N 2.82Å; E330-V332 PolarHBondContact O-N 3.07Å; E330-V332 VanDerWaalsContact O-N 3.07Å
331E29.2Very low34.6Very low170 Ų170129.1 Ų129.179%0.79475%0.747SS**  trans-53111.8157.6-76.5-176.9155.400107V329 K333V329-E331 HydrophobicContact CG1-CG 4.19Å; V329-E331 PolarHBondContact O-N 2.92Å; E331-K333 VanDerWaalsContact C-N 3.31Å; E331-K333 PolarHBondContact O-N 2.95Å
332V30.4Very low35.1Very low130 Ų130130.5 Ų130.579%0.78875%0.753SS**  trans-58.2104.7158.7177.40000105E330 E334E330-V332 PolarHBondContact O-N 3.07Å; E330-V332 VanDerWaalsContact O-N 3.07Å; V332-E334 PolarHBondContact O-N 3.16Å
333K30.3Very low36Very low188 Ų188133.9 Ų133.982%0.81775%0.747SS**  trans-50.2111.1162-85.1-179.5172.7178.40106.3E331 E335E331-K333 VanDerWaalsContact C-N 3.31Å; E331-K333 PolarHBondContact O-N 2.95Å; K333-E335 PolarHBondContact O-N 2.95Å; K333-E335 VanDerWaalsContact O-N 3.16Å
334E31.1Very low36.9Very low179 Ų179136.4 Ų136.484%0.83675%0.753SS**  trans-54.1119.4156.9-72.3-172.9149.600105.8V332 G336V332-E334 PolarHBondContact O-N 3.16Å; E334-G336 PolarHBondContact O-N 2.78Å
335E34.1Very low37.6Very low201 Ų201137.8 Ų137.894%0.93975%0.752SS**  trans-67.473.1158.5-73.7-176.1159.200106.8K333 G337K333-E335 PolarHBondContact O-N 2.95Å; K333-E335 VanDerWaalsContact O-N 3.16Å; E335-G337 PolarHBondContact O-N 3.34Å
336G37Very low37.9Very low51 Ų51138.2 Ų138.253%0.52675%0.746SS.*  trans-87.353.6167.900000109.8E334E334-G336 PolarHBondContact O-N 2.78Å
337G38.1Very low38.2Very low62 Ų62140.4 Ų140.464%0.63975%0.747SS**  trans-122.380.9174.700000108.5E335E335-G337 PolarHBondContact O-N 3.34Å
338E42.8Very low38.9Very low169 Ų169146 Ų14679%0.7976%0.758SS**SBendtrans164.8-6.3156-92.9169.6-159.400112.9
339V41Very low39.5Very low104 Ų104146 Ų14663%0.6376%0.756SS**SBendtrans-101.2-21.1179-1560000113.5W343V339-W343 VanDerWaalsContact O-CD1 3.3Å
340D45.9Very low39.6Very low113 Ų113146.6 Ų146.660%0.60476%0.755SS**THydrogen-bonded Turntrans-78.6-23.8-179.6-81.6-15.3000113.8V342 W343D340-V342 PolarHBondContact O-N 3.3Å; D340-W343 PolarHBondContact O-N 2.76Å
341E47.8Very low40Very low149 Ų149145 Ų14570%0.69675%0.752SS**Hα-helixtrans-71-19.6178.5-66-174.2168.400113.3T345E341-T345 PolarHBondContact O-OG1 3.41Å
342V48.6Very low40.2Very low98 Ų98144.9 Ų144.959%0.59475%0.752SS**Hα-helixtrans-78.6-29.8179.9-179.30000111.7D340D340-V342 PolarHBondContact O-N 3.3Å
343W49.5Very low40.4Very low193 Ų193143.3 Ų143.373%0.73175%0.753SS**Hα-helixtrans-80.8-28.4179.5-65.391.1000112.8V339 D340 T345V339-W343 VanDerWaalsContact O-CD1 3.3Å; D340-W343 PolarHBondContact O-N 2.76Å; W343-T345 VanDerWaalsContact C-N 3.29Å; W343-T345 PolarHBondContact O-N 3.48Å
344D50.8Low40.5Very low150 Ų150143.1 Ų143.180%0.80275%0.752SS**Hα-helixtrans-76.2-16.4176.4-78.8-18.1000113.3
345T45.1Very low40.5Very low119 Ų119144.5 Ų144.573%0.7376%0.755SS**THydrogen-bonded Turntrans-973.5-179.8-34.80000113.1E341 W343E341-T345 PolarHBondContact O-OG1 3.41Å; W343-T345 VanDerWaalsContact C-N 3.29Å; W343-T345 PolarHBondContact O-N 3.48Å
346M42.4Very low40.2Very low150 Ų150146.1 Ų146.174%0.73975%0.752SS**  trans-94.8109.6-176.6-156.4136.8-159.400111.3M348M346-M348 PolarHBondContact O-N 3.15Å; M346-M348 VanDerWaalsContact O-N 3.15Å
347E42.7Very low39.9Very low185 Ų185148.3 Ų148.386%0.86477%0.766SS**  trans-60115.1177.7-74.7-174154.600111.5I349E347-I349 PolarHBondContact O-N 3.32Å
348M41.8Very low39.4Very low184 Ų184151.3 Ų151.391%0.90677%0.772SS**  trans-70.9112168.4-76.4-164.7-156.200109.9M346 N350M346-M348 PolarHBondContact O-N 3.15Å; M346-M348 VanDerWaalsContact O-N 3.15Å; M348-N350 PolarHBondContact O-N 3.05Å
349I38.4Very low38.7Very low156 Ų156151.4 Ų151.480%0.878%0.778SS**  trans-67.4105166.3-59.7169.9000107.3E347 D351E347-I349 PolarHBondContact O-N 3.32Å; I349-D351 PolarHBondContact O-N 3.25Å
350N35Very low38.2Very low144 Ų144155.4 Ų155.477%0.7779%0.789SS**  trans-83.3101.1179.4-147.55.5000108.4M348 Q352M348-N350 PolarHBondContact O-N 3.05Å; N350-Q352 VanDerWaalsContact C-N 3.34Å; N350-Q352 PolarHBondContact O-N 3.1Å
351D38.4Very low37.3Very low149 Ų149159.6 Ų159.680%0.79781%0.805SS**  trans-65.895.9172.6-88.9-22.1000109.2I349 A353I349-D351 PolarHBondContact O-N 3.25Å; D351-A353 PolarHBondContact O-N 2.88Å; D351-A353 VanDerWaalsContact O-N 3.1Å
352Q32.3Very low36.4Very low168 Ų168161.7 Ų161.779%0.78582%0.815SS**  trans-61.6113.3172.9-75.8-166.9-13.900109.9N350 K354N350-Q352 VanDerWaalsContact C-N 3.34Å; N350-Q352 PolarHBondContact O-N 3.1Å; Q352-K354 PolarHBondContact O-N 3.07Å
353A34.4Very low35.4Very low98 Ų98161 Ų16181%0.8182%0.82SS**  trans-54.798.8160.700000109.9D351 K355D351-A353 PolarHBondContact O-N 2.88Å; D351-A353 VanDerWaalsContact O-N 3.1Å; A353-K355 PolarHBondContact O-N 2.9Å
354K33.4Very low34.4Very low183 Ų183158.5 Ų158.580%0.79683%0.825SS**  trans-71.198.7167.3-84.9-179.8178.1169.60109.1Q352 R356Q352-K354 PolarHBondContact O-N 3.07Å; K354-R356 PolarHBondContact O-N 3.39Å
355K30.7Very low33.4Very low209 Ų209156.5 Ų156.591%0.90982%0.818SS**  trans-60120.8151.2-76.8179.3176.1177.30107.9A353A353-K355 PolarHBondContact O-N 2.9Å
356R28.6Very low32.6Very low234 Ų234157.5 Ų157.588%0.88383%0.825SS**  trans-113.9139.9158-95.7-177171.7176.4-3.5108.7K354K354-R356 PolarHBondContact O-N 3.39Å
357A30.6Very low31.8Very low97 Ų97153.5 Ų153.580%0.80282%0.822SS**  trans-72.1159.6-162.200000113.4
358T26.5Very low31.2Very low126 Ų126151.3 Ų151.377%0.77382%0.821SS**  trans-50.6137.6165.843.60000113.1
359D29.4Very low30.5Very low170 Ų170150.9 Ų150.991%0.90982%0.816SS**  trans-138.4136.3140.9-88-33.5000107.7
360E29.3Very low30.1Very low188 Ų188153 Ų15388%0.87982%0.82SS**  trans-75.2143-177.9-61.6175.5149.400111.1
361E28.5Very low29.8Very low201 Ų201152 Ų15294%0.93982%0.819SS**  trans-170.2152.2133.2-106.3177.2-168.300111.1
362E27.8Very low29.4Very low194 Ų194151.6 Ų151.691%0.90782%0.823SS**  trans-83.6164.6-149.7-62.4178.9131.700117.4
363A27.9Very low29.4Very low83 Ų83153.5 Ų153.569%0.68683%0.828SS**  trans103.4118.5133.500000122
364V28.3Very low29.3Very low140 Ų140158.9 Ų158.985%0.84883%0.833SS**  85.3122.4122.5168.10000114.4
365V29.5Very low29.3Very low108 Ų108161.9 Ų161.966%0.65584%0.839SS**  cis-168.4154.720.9-178.30000111.7
366T27.8Very low29.3Very low140 Ų140161.5 Ų161.586%0.85984%0.838SS**  trans59.5139.2156.351.30000119.8
367G26Very low29.7Very low66 Ų66156.8 Ų156.868%0.6884%0.835SS**  cis145.6139.612.900000107.7
368V30.1Very low29.8Very low139 Ų139158 Ų15884%0.84283%0.832SS**  trans146.5102.9151.4170.90000109.9
369E27.2Very low30.4Very low175 Ų175165.1 Ų165.182%0.81885%0.852SS**  trans-76.9140.9162-68.5178128.900110.6
370K30.6Very low30.5Very low200 Ų200164.9 Ų164.987%0.8785%0.849SS**  trans-139.7114.3145.4-76.8-167.4179.4173.70110.4
371T29.1Very low30.5Very low124 Ų124163.6 Ų163.676%0.76185%0.848SS**  trans-78.7140.3175.642.80000111.3
372T30.4Very low30.7Very low141 Ų141161.6 Ų161.687%0.86584%0.843SS**  trans-11511616630.60000110
373K32.2Very low30.8Very low207 Ų207159.6 Ų159.690%0.984%0.839SS**PPolyproline II helixtrans-76.6126.2177.4-78.6176.9173.7174.20110.9
374K32.2Very low31Very low211 Ų211164.4 Ų164.492%0.91785%0.848SS**PPolyproline II helixtrans-77.1129164.7-74.7180175.71770110.2
375R33.2Very low31.2Very low246 Ų246166.1 Ų166.193%0.92885%0.848SS**PPolyproline II helixtrans-88124.5167.8-90.4-179.9161.6176.1-5.3110
376K30.8Very low31.3Very low202 Ų202170.2 Ų170.288%0.87886%0.862SS**PPolyproline II helixtrans-82.9137.7162.6-101.9176.5171.4176.60108.5
377V35.7Very low31.6Very low135 Ų135172.5 Ų172.582%0.81886%0.863SS**  trans-118.3128.1163.6177.80000107.2
378V34.6Very low32.1Very low122 Ų122181.4 Ų181.474%0.73988%0.878SS**  trans-127131.1168.7170.40000106.8
379K38.8Very low32.2Very low275 Ų275185.3 Ų185.3100%1.19688%0.881SS**  trans70.60173.7-78.3-176.4176-178.20117.7

Retrieved 379 of 379 residues in 2236 ms (Link to these results)

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