A0A087XSS9_POEFO Loading...

Eukaryotic translation initiation factor 2A

Functions in the early steps of protein synthesis of a small number of specific mRNAs. Acts by directing the binding of methionyl-tRNAi to 40S ribosomal subunits. In contrast to the eIF-2 complex, it binds methionyl-tRNAi to 40S subunits in a codon-dependent manner, whereas the eIF-2 complex binds methionyl-tRNAi to 40S subunits in a GTP-dependent manner.

AlphaFold DB , UniProt , Accession A0A087XSS9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 582 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
1M50.4Low84.5Confident243 Ų24350.7 Ų50.7100%1.19730%0.299SS*.  01450-74.2-176.3-122.300108.1
2A60.9Low85.1Confident92 Ų9248.2 Ų48.276%0.7628%0.282SS*.PPolyproline II helixtrans-62.3143.3170.600000109.3
3P71.9Confident85.4Confident66 Ų6647.5 Ų47.543%0.42928%0.282SS..PPolyproline II helixtrans-61.2146.9176.625.8-33000110.3F420P3-F420 HydrophobicContact CB-CD1 4.28Å; P3-F420 HydrophobicContact CB-CE1 4.11Å
4P85.6Confident85.5Confident60 Ų6049.5 Ų49.539%0.3929%0.29SS..PPolyproline II helixtrans-62.3153176.327.4-33.1000110.5P6 F415 I419 F420P4-P6 WeakPolarHBondContact O-CD 3.31Å; P4-F415 HydrophobicContact CB-CE1 3.84Å; P4-F415 HydrophobicContact CB-CZ 4.18Å; P4-F415 HydrophobicContact CG-CD1 4.06Å; P4-F415 HydrophobicContact CG-CE1 3.52Å; P4-F415 HydrophobicContact CG-CZ 4.17Å; P4-I419 HydrophobicContact CG-CG2 3.72Å; P4-F420 HydrophobicContact CG-CE1 4.43Å; P4-F420 HydrophobicContact CG-CZ 3.91Å; P4-F420 WeakPolarHBondContact O-CE1 3.34Å; P4-F420 WeakPolarHBondContact O-CZ 3.27Å
5I90.5Very high85.8Confident75 Ų7546.3 Ų46.339%0.38527%0.272SS..  trans-92115.8174.2-61.2173.2000107.2
6P93.8Very high86.2Confident5 Ų543.4 Ų43.43%0.03226%0.255CS..  trans-61.2145.3176.9-24.335.8000111.9P4 G21 P366 W412 F415 F420P4-P6 WeakPolarHBondContact O-CD 3.31Å; P6-G21 WeakPolarHBondContact O-CA 3.09Å; P6-G21 PolarHBondContact O-N 3.36Å; P6-P366 HydrophobicContact CB-CG 4.18Å; P6-P366 HydrophobicContact CG-CB 4.36Å; P6-P366 HydrophobicContact CG-CG 4.23Å; P6-W412 HydrophobicContact CB-CE3 4.35Å; P6-F415 HydrophobicContact CB-CE2 3.8Å; P6-F415 HydrophobicContact CG-CE2 3.98Å; P6-F420 HydrophobicContact CG-CE1 4.28Å; P6-F420 HydrophobicContact CG-CE2 4.32Å; P6-F420 HydrophobicContact CG-CZ 3.67Å
7L95.8Very high86.6Confident8 Ų841.9 Ų41.94%0.04225%0.247CC..EExtended strand (participates in β ladder)trans-91.9152.3171.9-57.5178000111.5L18 L19 Y28 C63 Q413L7-L18 HydrophobicContact CD1-CD1 3.98Å; L7-L19 CarbonylContact C-O 3.56Å; L7-L19 VanDerWaalsContact CA-O 3.27Å; L7-L19 WeakPolarHBondContact CA-O 3.39Å; L7-Y28 HydrophobicContact CD1-CD1 3.88Å; L7-Y28 HydrophobicContact CD1-CE1 3.84Å; L7-Y28 HydrophobicContact CD1-CG 4.37Å; L7-Y28 HydrophobicContact CD2-CD1 4.18Å; L7-Y28 HydrophobicContact CD2-CD2 3.75Å; L7-Y28 HydrophobicContact CD2-CE1 4.45Å; L7-Y28 HydrophobicContact CD2-CE2 4.05Å; L7-Y28 HydrophobicContact CD2-CG 3.82Å; L7-C63 HydrophobicContact CD1-CB 4.14Å; L7-Q413 HydrophobicContact CB-CB 4.12Å; L7-Q413 WeakPolarHBondContact O-CB 3.22Å; L7-Q413 PolarHBondContact O-N 2.77Å
8L96.5Very high87Confident1 Ų139.6 Ų39.61%0.00523%0.234CC..EExtended strand (participates in β ladder)trans-113.2115.9171-174.762.4000109.1V10 L18 L19 V372 Y386 I388 V410 W412L8-V10 HydrophobicContact CD2-CG2 4.42Å; L8-V10 HydrophobicContact CG-CG2 4.22Å; L8-L18 WeakPolarHBondContact O-CA 3.4Å; L8-L19 HydrophobicContact CB-CB 4.3Å; L8-L19 HydrophobicContact CD2-CD1 4.44Å; L8-L19 PolarHBondContact N-O 2.87Å; L8-L19 PolarHBondContact O-N 3.23Å; L8-V372 HydrophobicContact CD2-CG2 4.46Å; L8-Y386 HydrophobicContact CD2-CD2 4.38Å; L8-Y386 HydrophobicContact CD2-CE2 4.13Å; L8-I388 HydrophobicContact CD2-CD1 3.8Å; L8-I388 HydrophobicContact CD2-CG1 4.33Å; L8-V410 HydrophobicContact CD1-CG1 3.44Å; L8-V410 VanDerWaalsContact CD1-CG1 3.44Å; L8-V410 HydrophobicContact CD2-CG1 4.1Å; L8-V410 HydrophobicContact CG-CG1 3.93Å; L8-W412 HydrophobicContact CB-CE3 3.95Å; L8-W412 HydrophobicContact CB-CH2 4.09Å; L8-W412 HydrophobicContact CB-CZ3 3.66Å; L8-W412 HydrophobicContact CD1-CD2 3.7Å; L8-W412 HydrophobicContact CD1-CE3 3.89Å; L8-W412 HydrophobicContact CD1-CG 4.15Å; L8-W412 HydrophobicContact CD1-CH2 4.2Å; L8-W412 HydrophobicContact CD1-CZ2 4.07Å; L8-W412 HydrophobicContact CD1-CZ3 4.14Å; L8-W412 HydrophobicContact CD2-CH2 4.12Å; L8-W412 HydrophobicContact CD2-CZ2 4.31Å; L8-W412 HydrophobicContact CG-CE3 4.49Å; L8-W412 HydrophobicContact CG-CH2 4.38Å; L8-W412 HydrophobicContact CG-CZ3 4.33Å
9A95.8Very high87.4Confident1 Ų138.4 Ų38.41%0.00823%0.226CC..EExtended strand (participates in β ladder)trans-80.6134169.900000110.6L18 L41 F43 I50 V410 R411A9-L18 HydrophobicContact CB-CD2 3.58Å; A9-L41 HydrophobicContact CB-CD1 4.18Å; A9-L41 HydrophobicContact CB-CD2 3.72Å; A9-F43 HydrophobicContact CB-CE2 3.64Å; A9-F43 HydrophobicContact CB-CZ 3.73Å; A9-I50 HydrophobicContact CB-CD1 4.22Å; A9-V410 CarbonylContact O-C 3.57Å; A9-V410 VanDerWaalsContact O-CA 3.28Å; A9-V410 WeakPolarHBondContact O-CA 3.26Å; A9-R411 PolarHBondContact N-O 2.88Å; A9-R411 PolarHBondContact O-N 3.4Å
10V94.4Very high87.6Confident2 Ų237.5 Ų37.51%0.01222%0.222CC..EExtended strand (participates in β ladder)trans-128.3121178.2-1770000108.5L8 E12 S17 L19 Y386 L407L8-V10 HydrophobicContact CD2-CG2 4.42Å; L8-V10 HydrophobicContact CG-CG2 4.22Å; V10-E12 HydrophobicContact CG1-CG 4.04Å; V10-E12 WeakPolarHBondContact CG1-OE1 3.49Å; V10-S17 PolarHBondContact N-O 3Å; V10-S17 PolarHBondContact O-N 3.3Å; V10-L19 HydrophobicContact CG2-CD1 3.83Å; V10-L19 HydrophobicContact CG2-CG 4.29Å; V10-Y386 HydrophobicContact CG1-CE1 4.07Å; V10-Y386 HydrophobicContact CG2-CE1 4.02Å; V10-L407 HydrophobicContact CG1-CD1 3.8Å
11C93.5Very high87.7Confident5 Ų535.7 Ų35.73%0.03421%0.211CC..EExtended strand (participates in β ladder)trans-111.8114176.9-67.20000110R408 D409C11-R408 PolarHBondContact O-N 3.3Å; C11-D409 HydrophobicContact CB-CB 3.97Å; C11-D409 PolarHBondContact N-O 2.85Å; C11-D409 PolarHBondContact O-N 3.06Å
12E92Very high89.4Confident20 Ų2024.6 Ų24.69%0.09316%0.157CC..EExtended strand (participates in β ladder)trans-120.9170179.7-74.9172.7-167.200110.3V10 D14 G15 H399 V401 E406 L407V10-E12 HydrophobicContact CG1-CG 4.04Å; V10-E12 WeakPolarHBondContact CG1-OE1 3.49Å; E12-D14 VanDerWaalsContact CB-OD1 3.31Å; E12-D14 WeakPolarHBondContact CB-OD1 3.47Å; E12-D14 PolarHBondContact O-N 2.94Å; E12-G15 PolarHBondContact N-O 3.14Å; E12-G15 PolarHBondContact O-N 3.11Å; E12-G15 VanDerWaalsContact O-O 3.1Å; E12-H399 IonicContact OE1-CD2 3.77Å; E12-H399 IonicContact OE1-NE2 3.91Å; E12-H399 PolarHBondContact OE1-NE2 3.11Å; E12-H399 VanDerWaalsContact OE1-NE2 3.15Å; E12-H399 IonicContact OE2-NE2 3.09Å; E12-V401 HydrophobicContact CG-CG2 4.46Å; E12-E406 CarbonylContact C-O 3.56Å; E12-E406 WeakPolarHBondContact CA-O 3.36Å; E12-L407 HydrophobicContact CG-CD1 3.64Å
13S89.6Confident90.2Very high39 Ų3926 Ų2627%0.27316%0.158SC..THydrogen-bonded Turntrans-59-25.1175-69.10000113.6E406S13-E406 PolarHBondContact N-O 3.15Å; S13-E406 WeakPolarHBondContact OG-CB 3.19Å; S13-E406 PolarHBondContact OG-N 2.86Å; S13-E406 VanDerWaalsContact OG-N 3.16Å; S13-E406 PolarHBondContact OG-O 3.06Å
14D86.6Confident90.6Very high76 Ų7630.3 Ų30.341%0.40617%0.166SC..THydrogen-bonded Turntrans-96.63.6-17873.5-11.5000113.3E12 R33E12-D14 VanDerWaalsContact CB-OD1 3.31Å; E12-D14 WeakPolarHBondContact CB-OD1 3.47Å; E12-D14 PolarHBondContact O-N 2.94Å; D14-R33 PolarHBondContact O-NH2 3.42Å; D14-R33 IonicContact OD1-NH2 2.71Å; D14-R33 PolarHBondContact OD1-NH2 2.89Å; D14-R33 IonicContact OD2-CZ 3.71Å; D14-R33 IonicContact OD2-NH2 3.63Å; D14-R33 PolarHBondContact OD2-NH2 2.62Å
15G90Very high90.6Very high1 Ų128.1 Ų28.11%0.0115%0.152CC..EExtended strand (participates in β ladder)trans142.8-170.4173.300000115.9E12 D34E12-G15 PolarHBondContact N-O 3.14Å; E12-G15 PolarHBondContact O-N 3.11Å; E12-G15 VanDerWaalsContact O-O 3.1Å; G15-D34 CarbonylContact C-O 3.53Å; G15-D34 WeakPolarHBondContact CA-O 3.19Å
16T91.8Very high90.5Very high0 Ų030.9 Ų30.90%016%0.163CC..EExtended strand (participates in β ladder)trans-116.7129.6175.9-59.50000109.8R33 D34 S38 L41T16-R33 WeakPolarHBondContact O-CG 3.41Å; T16-D34 PolarHBondContact N-O 2.99Å; T16-D34 PolarHBondContact O-N 2.91Å; T16-S38 WeakPolarHBondContact OG1-CB 3.23Å; T16-L41 HydrophobicContact CG2-CD1 3.4Å; T16-L41 VanDerWaalsContact CG2-CD1 3.4Å
17S92.5Very high90.4Very high18 Ų1836.4 Ų36.413%0.12619%0.189CC..EExtended strand (participates in β ladder)trans-134.2159.1179.167.30000112.1V10V10-S17 PolarHBondContact N-O 3Å; V10-S17 PolarHBondContact O-N 3.3Å
18L94.1Very high90.2Very high1 Ų138 Ų381%0.00519%0.194CC..EExtended strand (participates in β ladder)trans-115.2139170.5-67.6-173000109.6L7 L8 A9 Y28 F31 F43 I50L7-L18 HydrophobicContact CD1-CD1 3.98Å; L8-L18 WeakPolarHBondContact O-CA 3.4Å; A9-L18 HydrophobicContact CB-CD2 3.58Å; L18-Y28 HydrophobicContact CB-CD1 4.41Å; L18-Y28 HydrophobicContact CD1-CD1 4.47Å; L18-Y28 WeakPolarHBondContact O-CB 3.41Å; L18-Y28 PolarHBondContact O-N 2.76Å; L18-F31 HydrophobicContact CB-CB 4.06Å; L18-F31 HydrophobicContact CB-CD1 4.1Å; L18-F31 HydrophobicContact CB-CG 4.03Å; L18-F31 HydrophobicContact CD1-CB 3.95Å; L18-F31 HydrophobicContact CD1-CD1 4.36Å; L18-F31 HydrophobicContact CD1-CD2 3.47Å; L18-F31 VanDerWaalsContact CD1-CD2 3.47Å; L18-F31 HydrophobicContact CD1-CE2 4.01Å; L18-F31 HydrophobicContact CD1-CG 3.67Å; L18-F31 HydrophobicContact CG-CB 4.19Å; L18-F31 HydrophobicContact CG-CD1 3.9Å; L18-F31 HydrophobicContact CG-CD2 3.88Å; L18-F31 HydrophobicContact CG-CE1 4.22Å; L18-F31 HydrophobicContact CG-CE2 4.2Å; L18-F31 HydrophobicContact CG-CG 3.71Å; L18-F31 HydrophobicContact CG-CZ 4.37Å; L18-F43 HydrophobicContact CD2-CZ 4.13Å; L18-I50 HydrophobicContact CD1-CD1 4.28Å; L18-I50 HydrophobicContact CD1-CG2 4.5Å; L18-I50 HydrophobicContact CD2-CD1 3.67Å; L18-I50 HydrophobicContact CG-CD1 4.39Å
19L93.9Very high89.8Confident17 Ų1743.5 Ų43.59%0.08923%0.232CC..EExtended strand (participates in β ladder)trans-116147.7173.8-50.8174.3000109.6L7 L8 V10 E26 Q27 Y386L7-L19 CarbonylContact C-O 3.56Å; L7-L19 VanDerWaalsContact CA-O 3.27Å; L7-L19 WeakPolarHBondContact CA-O 3.39Å; L8-L19 HydrophobicContact CB-CB 4.3Å; L8-L19 HydrophobicContact CD2-CD1 4.44Å; L8-L19 PolarHBondContact N-O 2.87Å; L8-L19 PolarHBondContact O-N 3.23Å; V10-L19 HydrophobicContact CG2-CD1 3.83Å; V10-L19 HydrophobicContact CG2-CG 4.29Å; L19-E26 CarbonylContact C-O 3.49Å; L19-E26 VanDerWaalsContact CA-O 3.26Å; L19-E26 WeakPolarHBondContact CA-O 3.48Å; L19-Q27 HydrophobicContact CD2-CB 4.34Å; L19-Y386 HydrophobicContact CD1-CE2 4.49Å; L19-Y386 WeakPolarHBondContact CD1-OH 3.49Å
20C92.7Very high89.5Confident20 Ų2046.1 Ų46.114%0.13525%0.251CS..EExtended strand (participates in β ladder)trans-65.4139.2164.7-60.60000109.2R24 C25 E26C20-R24 HydrophobicContact CB-CB 4.13Å; C20-C25 WeakPolarHBondContact O-CA 3.42Å; C20-C25 PolarHBondContact O-N 3.5Å; C20-E26 PolarHBondContact N-O 3.33Å
21G88.8Confident89.3Confident0 Ų046.5 Ų46.50%025%0.252CS..  trans-66.5177.6172.600000113.2P6 R24 C25P6-G21 WeakPolarHBondContact O-CA 3.09Å; P6-G21 PolarHBondContact O-N 3.36Å; G21-R24 PolarHBondContact O-N 2.68Å; G21-C25 PolarHBondContact O-N 2.83Å
22P86.9Confident89Confident10 Ų1054.7 Ų54.77%0.06529%0.29CS..THydrogen-bonded Turntrans-59.6148.5-179.3-26.138.4000112.1H370 I388 L396 W412P22-H370 HydrophobicContact CG-CB 3.94Å; P22-I388 HydrophobicContact CG-CG2 3.7Å; P22-L396 HydrophobicContact CB-CD1 4.12Å; P22-W412 HydrophobicContact CG-CH2 4.33Å
23P76.4Confident88.9Confident120 Ų12058.7 Ų58.778%0.77930%0.304SS*.THydrogen-bonded Turncis-86.7-3.63.934.9-36.2000114.4
24R81.5Confident88.8Confident158 Ų15858 Ų5860%0.59630%0.298SS*.THydrogen-bonded Turntrans-74.2-47.7-170.7-68.1-174.8-177.7-175.6-0.2112.4C20 G21 E26C20-R24 HydrophobicContact CB-CB 4.13Å; G21-R24 PolarHBondContact O-N 2.68Å; R24-E26 WeakPolarHBondContact O-CG 3.48Å; R24-E26 PolarHBondContact O-N 3.26Å
25C85.3Confident89Confident13 Ų1358.9 Ų58.99%0.08831%0.309CS..  trans58.718.6172.8-72.40000114.6C20 G21 Q397C20-C25 WeakPolarHBondContact O-CA 3.42Å; C20-C25 PolarHBondContact O-N 3.5Å; G21-C25 PolarHBondContact O-N 2.83Å; C25-Q397 HydrophobicContact CB-CB 4.29Å; C25-Q397 HydrophobicContact CB-CG 4.37Å; C25-Q397 PolarHBondContact O-NE2 3.29Å
26E89.4Confident89Confident133 Ų13365.3 Ų65.362%0.62133%0.334SS*.  trans-99.4163.4-175.8-77.8167.9-165.800111.9L19 C20 R24 Y28L19-E26 CarbonylContact C-O 3.49Å; L19-E26 VanDerWaalsContact CA-O 3.26Å; L19-E26 WeakPolarHBondContact CA-O 3.48Å; C20-E26 PolarHBondContact N-O 3.33Å; R24-E26 WeakPolarHBondContact O-CG 3.48Å; R24-E26 PolarHBondContact O-N 3.26Å; E26-Y28 PolarHBondContact O-N 3.02Å
27Q90.1Very high88.7Confident122 Ų12267.7 Ų67.757%0.5735%0.349SS*.BIsolated β-bridgetrans-59.4132.7176.4-169.3174.1-1.400111.9L19 S29L19-Q27 HydrophobicContact CD2-CB 4.34Å; Q27-S29 PolarHBondContact O-N 3.33Å
28Y91.9Very high88.5Confident42 Ų4267.1 Ų67.117%0.16535%0.345CS..  trans-78.3105.4179.4-171.3-123.7000110.4L7 L18 E26 S30 F31 C63 A64L7-Y28 HydrophobicContact CD1-CD1 3.88Å; L7-Y28 HydrophobicContact CD1-CE1 3.84Å; L7-Y28 HydrophobicContact CD1-CG 4.37Å; L7-Y28 HydrophobicContact CD2-CD1 4.18Å; L7-Y28 HydrophobicContact CD2-CD2 3.75Å; L7-Y28 HydrophobicContact CD2-CE1 4.45Å; L7-Y28 HydrophobicContact CD2-CE2 4.05Å; L7-Y28 HydrophobicContact CD2-CG 3.82Å; L18-Y28 HydrophobicContact CB-CD1 4.41Å; L18-Y28 HydrophobicContact CD1-CD1 4.47Å; L18-Y28 WeakPolarHBondContact O-CB 3.41Å; L18-Y28 PolarHBondContact O-N 2.76Å; E26-Y28 PolarHBondContact O-N 3.02Å; Y28-S30 VanDerWaalsContact C-N 3.28Å; Y28-S30 PolarHBondContact O-N 3.2Å; Y28-F31 HydrophobicContact CD1-CB 3.84Å; Y28-F31 PolarHBondContact O-N 3.26Å; Y28-F31 VanDerWaalsContact O-N 3.13Å; Y28-C63 VanDerWaalsContact CE1-O 3.28Å; Y28-C63 WeakPolarHBondContact CE1-O 2.94Å; Y28-C63 PolarHBondContact OH-O 2.86Å; Y28-A64 PolarHBondContact OH-O 2.58Å
29S88.9Confident88.3Confident115 Ų11573.7 Ų73.780%0.80437%0.37SS*.THydrogen-bonded Turntrans-63.9-28-170.855.70000114.6Q27 F31Q27-S29 PolarHBondContact O-N 3.33Å; S29-F31 VanDerWaalsContact C-N 3.26Å; S29-F31 PolarHBondContact O-N 2.83Å
30S89.1Confident88.2Confident56 Ų5676.3 Ų76.339%0.39238%0.379SS..THydrogen-bonded Turntrans-73.8-16.8178.3-570000113.1Y28 G66Y28-S30 VanDerWaalsContact C-N 3.28Å; Y28-S30 PolarHBondContact O-N 3.2Å; S30-G66 WeakPolarHBondContact O-CA 3.45Å
31F90.1Very high88.3Confident11 Ų1175.4 Ų75.45%0.04837%0.373CS..SBendtrans-94.5119.1178.1-178.2-95.1000111.2L18 Y28 S29 R33 I50 W52 V61L18-F31 HydrophobicContact CB-CB 4.06Å; L18-F31 HydrophobicContact CB-CD1 4.1Å; L18-F31 HydrophobicContact CB-CG 4.03Å; L18-F31 HydrophobicContact CD1-CB 3.95Å; L18-F31 HydrophobicContact CD1-CD1 4.36Å; L18-F31 HydrophobicContact CD1-CD2 3.47Å; L18-F31 VanDerWaalsContact CD1-CD2 3.47Å; L18-F31 HydrophobicContact CD1-CE2 4.01Å; L18-F31 HydrophobicContact CD1-CG 3.67Å; L18-F31 HydrophobicContact CG-CB 4.19Å; L18-F31 HydrophobicContact CG-CD1 3.9Å; L18-F31 HydrophobicContact CG-CD2 3.88Å; L18-F31 HydrophobicContact CG-CE1 4.22Å; L18-F31 HydrophobicContact CG-CE2 4.2Å; L18-F31 HydrophobicContact CG-CG 3.71Å; L18-F31 HydrophobicContact CG-CZ 4.37Å; Y28-F31 HydrophobicContact CD1-CB 3.84Å; Y28-F31 PolarHBondContact O-N 3.26Å; Y28-F31 VanDerWaalsContact O-N 3.13Å; S29-F31 VanDerWaalsContact C-N 3.26Å; S29-F31 PolarHBondContact O-N 2.83Å; F31-R33 PolarHBondContact O-N 3.43Å; F31-I50 HydrophobicContact CE2-CG2 4.34Å; F31-W52 AromaticContact CE2-CH2 3.76Å; F31-W52 HydrophobicContact CE2-CH2 3.76Å; F31-W52 AromaticContact CE2-CZ3 3.77Å; F31-W52 HydrophobicContact CE2-CZ3 3.77Å; F31-W52 AromaticContact CZ-CH2 3.86Å; F31-W52 HydrophobicContact CZ-CH2 3.86Å; F31-W52 HydrophobicContact CZ-CZ2 4.28Å; F31-W52 HydrophobicContact CZ-CZ3 4.05Å; F31-V61 HydrophobicContact CD2-CG2 4.12Å; F31-V61 HydrophobicContact CE2-CG2 3.91Å
32Q88.1Confident88.7Confident176 Ų17676.4 Ų76.482%0.82238%0.379SS*.  trans-74113.6172-173.1175.1-2.400109.8D34Q32-D34 PolarHBondContact O-N 2.89Å
33R88.4Confident89.1Confident105 Ų10576.8 Ų76.840%0.39638%0.379SS..  trans-56.8129.3176.8-174.7-176.6-178171.85110.7D14 T16 F31D14-R33 PolarHBondContact O-NH2 3.42Å; D14-R33 IonicContact OD1-NH2 2.71Å; D14-R33 PolarHBondContact OD1-NH2 2.89Å; D14-R33 IonicContact OD2-CZ 3.71Å; D14-R33 IonicContact OD2-NH2 3.63Å; D14-R33 PolarHBondContact OD2-NH2 2.62Å; T16-R33 WeakPolarHBondContact O-CG 3.41Å; F31-R33 PolarHBondContact O-N 3.43Å
34D89Confident90.1Very high24 Ų2471.1 Ų71.113%0.12834%0.343CS..BIsolated β-bridgetrans-86.3119.5166.2-170.9-13.7000108.1G15 T16 Q32 R36 W52 N54G15-D34 CarbonylContact C-O 3.53Å; G15-D34 WeakPolarHBondContact CA-O 3.19Å; T16-D34 PolarHBondContact N-O 2.99Å; T16-D34 PolarHBondContact O-N 2.91Å; Q32-D34 PolarHBondContact O-N 2.89Å; D34-R36 PolarHBondContact O-N 3.33Å; D34-R36 WeakPolarHBondContact OD1-CB 3.4Å; D34-R36 PolarHBondContact OD1-N 2.9Å; D34-W52 HydrophobicContact CB-CZ2 4.3Å; D34-W52 PolarHBondContact OD2-NE1 2.64Å; D34-N54 PolarHBondContact OD2-ND2 2.94Å
35S89.4Confident90.6Very high94 Ų9468.5 Ų68.566%0.65734%0.336SS*.  trans-77.3-9.2179.157.80000113.1
36R90Very high91Very high137 Ų13770 Ų7052%0.51734%0.343SS..SBendtrans-84.3139.4174.3-65.6179.9179.2-93.2-0.6109.9D34 S38 N54D34-R36 PolarHBondContact O-N 3.33Å; D34-R36 WeakPolarHBondContact OD1-CB 3.4Å; D34-R36 PolarHBondContact OD1-N 2.9Å; R36-S38 PolarHBondContact O-N 2.76Å; R36-N54 HydrophobicContact CB-CB 3.89Å
37P85.4Confident91.3Very high50 Ų5063.8 Ų63.833%0.32531%0.314SS..PPolyproline II helixtrans-64125.6174.825.7-33000109.6
38S87.9Confident91.5Very high6 Ų661.1 Ų61.14%0.04231%0.306CS..PPolyproline II helixtrans-70.1139.1173178.90000110.4T16 R36 Y40 C53T16-S38 WeakPolarHBondContact OG1-CB 3.23Å; R36-S38 PolarHBondContact O-N 2.76Å; S38-Y40 PolarHBondContact OG-N 2.88Å; S38-Y40 PolarHBondContact OG-O 2.92Å; S38-C53 CarbonylContact C-O 3.5Å; S38-C53 WeakPolarHBondContact CA-O 3.2Å; S38-C53 PolarHBondContact OG-O 2.71Å
39R90.3Very high91.8Very high139 Ų13959.9 Ų59.953%0.52530%0.302SS..SBendtrans-82.3-36.6169.1-68.7-174.5-178.2157.45.5110.9C53 P75R39-C53 PolarHBondContact N-O 2.5Å; R39-P75 PolarHBondContact NH1-O 2.87Å
40Y92.9Very high92.2Very high72 Ų7254.4 Ų54.428%0.28226%0.264SS..EExtended strand (participates in β ladder)trans-154.6139178.5-160.7-94.9000109.6S38 W52 C53 A78 L79 L80S38-Y40 PolarHBondContact OG-N 2.88Å; S38-Y40 PolarHBondContact OG-O 2.92Å; Y40-W52 CarbonylContact O-C 3.59Å; Y40-W52 VanDerWaalsContact O-CA 3.23Å; Y40-W52 WeakPolarHBondContact O-CA 3.33Å; Y40-W52 WeakPolarHBondContact O-CB 3.22Å; Y40-C53 PolarHBondContact O-N 3.32Å; Y40-A78 WeakPolarHBondContact CB-O 3.24Å; Y40-L79 HydrophobicContact CD2-CD2 3.62Å; Y40-L79 HydrophobicContact CE2-CD2 3.61Å; Y40-L79 HydrophobicContact CG-CD2 4.2Å; Y40-L80 HydrophobicContact CD1-CD2 3.7Å; Y40-L80 HydrophobicContact CD1-CG 4.03Å; Y40-L80 WeakPolarHBondContact CE1-O 3.43Å; Y40-L80 HydrophobicContact CG-CD2 4.33Å
41L94.7Very high92.5Very high1 Ų151.8 Ų51.81%0.00525%0.245CC..EExtended strand (participates in β ladder)trans-123.9154.1174.5-179.6137.9000108.2A9 T16 F43 I50 G51 W52 R411A9-L41 HydrophobicContact CB-CD1 4.18Å; A9-L41 HydrophobicContact CB-CD2 3.72Å; T16-L41 HydrophobicContact CG2-CD1 3.4Å; T16-L41 VanDerWaalsContact CG2-CD1 3.4Å; L41-F43 HydrophobicContact CD2-CE2 4.38Å; L41-I50 HydrophobicContact CD1-CD1 3.84Å; L41-I50 HydrophobicContact CD1-CG1 4.32Å; L41-I50 HydrophobicContact CD2-CD1 4.13Å; L41-I50 HydrophobicContact CD2-CG1 4.36Å; L41-I50 HydrophobicContact CG-CD1 4.16Å; L41-I50 HydrophobicContact CG-CG1 4.23Å; L41-G51 CarbonylContact C-O 3.28Å; L41-G51 WeakPolarHBondContact CA-O 3.35Å; L41-W52 HydrophobicContact CB-CB 4.23Å; L41-W52 HydrophobicContact CD1-CB 4.22Å; L41-W52 HydrophobicContact CG-CB 4.34Å; L41-R411 PolarHBondContact O-NH1 2.91Å; L41-R411 PolarHBondContact O-NH2 2.88Å
42T96.1Very high92.8Very high20 Ų2051.9 Ų51.912%0.12325%0.246CC..EExtended strand (participates in β ladder)trans-158.2152.1166.6-161.50000110.8G51 L80 F82T42-G51 PolarHBondContact N-O 2.79Å; T42-G51 PolarHBondContact O-N 3.18Å; T42-L80 HydrophobicContact CG2-CD1 3.96Å; T42-L80 HydrophobicContact CG2-CG 4.11Å; T42-F82 HydrophobicContact CG2-CD2 3.74Å; T42-F82 HydrophobicContact CG2-CE2 3.64Å
43F97.1Very high93.1Very high18 Ų1843.6 Ų43.68%0.07921%0.207CC..EExtended strand (participates in β ladder)trans-92.7155.7167.4-73-82.4000109.8A9 L18 L41 L49 I50 R411 Q413 P414A9-F43 HydrophobicContact CB-CE2 3.64Å; A9-F43 HydrophobicContact CB-CZ 3.73Å; L18-F43 HydrophobicContact CD2-CZ 4.13Å; L41-F43 HydrophobicContact CD2-CE2 4.38Å; F43-L49 CarbonylContact C-O 3.52Å; F43-L49 WeakPolarHBondContact CA-O 3.23Å; F43-I50 HydrophobicContact CD1-CB 3.83Å; F43-I50 HydrophobicContact CD1-CD1 4.17Å; F43-I50 HydrophobicContact CD1-CG1 3.98Å; F43-I50 HydrophobicContact CE1-CB 3.88Å; F43-I50 HydrophobicContact CE1-CD1 3.58Å; F43-I50 HydrophobicContact CE1-CG1 3.91Å; F43-I50 HydrophobicContact CE2-CD1 4.27Å; F43-I50 HydrophobicContact CG-CG1 4.46Å; F43-I50 HydrophobicContact CZ-CD1 3.64Å; F43-I50 HydrophobicContact CZ-CG1 4.33Å; F43-R411 HydrophobicContact CD2-CB 4.47Å; F43-R411 HydrophobicContact CE2-CB 4.25Å; F43-Q413 HydrophobicContact CD1-CB 4.29Å; F43-Q413 HydrophobicContact CD1-CG 4.14Å; F43-Q413 HydrophobicContact CE1-CB 3.91Å; F43-Q413 HydrophobicContact CE1-CG 4.05Å; F43-Q413 HydrophobicContact CE2-CB 4.5Å; F43-Q413 HydrophobicContact CZ-CB 4.02Å; F43-P414 HydrophobicContact CB-CG 3.83Å
44S96.4Very high93.3Very high1 Ų139.5 Ų39.51%0.00719%0.193CC..  trans-61.6160.316055.60000111D46 G47 T48 L49 N86 P414S44-D46 VanDerWaalsContact C-N 3.3Å; S44-D46 WeakPolarHBondContact CB-OD1 3.44Å; S44-D46 PolarHBondContact O-N 3.39Å; S44-D46 PolarHBondContact OG-OD1 2.93Å; S44-G47 PolarHBondContact O-N 2.57Å; S44-G47 PolarHBondContact OG-N 3.21Å; S44-T48 PolarHBondContact OG-N 3.33Å; S44-L49 PolarHBondContact N-O 3.46Å; S44-L49 PolarHBondContact OG-N 3.16Å; S44-L49 PolarHBondContact OG-O 3.44Å; S44-N86 WeakPolarHBondContact CB-OD1 3.07Å; S44-P414 WeakPolarHBondContact O-CG 3.46Å
45K93Very high93.4Very high104 Ų10439.3 Ų39.345%0.45220%0.196SC..THydrogen-bonded Turntrans-61.3-38.2-178.6-174.8170.7-172.9160.50113.4G47 P84 E136K45-G47 VanDerWaalsContact C-N 3.28Å; K45-P84 HydrophobicContact CD-CB 4.15Å; K45-E136 WeakPolarHBondContact CE-OE2 3.27Å; K45-E136 IonicContact NZ-OE1 2.84Å; K45-E136 PolarHBondContact NZ-OE1 2.9Å; K45-E136 IonicContact NZ-OE2 3.24Å; K45-E136 PolarHBondContact NZ-OE2 3.36Å
46D93.1Very high93.5Very high45 Ų4540 Ų4024%0.24119%0.189CC..THydrogen-bonded Turntrans-82.6-4.5176.167.9-14.2000113.4S44 T48 N86 P416S44-D46 VanDerWaalsContact C-N 3.3Å; S44-D46 WeakPolarHBondContact CB-OD1 3.44Å; S44-D46 PolarHBondContact O-N 3.39Å; S44-D46 PolarHBondContact OG-OD1 2.93Å; D46-T48 HydrophobicContact CB-CG2 4.39Å; D46-T48 PolarHBondContact O-N 2.87Å; D46-T48 PolarHBondContact OD1-N 3.33Å; D46-T48 VanDerWaalsContact OD1-N 3.08Å; D46-T48 PolarHBondContact OD1-OG1 2.77Å; D46-T48 WeakPolarHBondContact OD2-CB 3.24Å; D46-T48 WeakPolarHBondContact OD2-CG2 3.38Å; D46-T48 PolarHBondContact OD2-OG1 3.19Å; D46-N86 PolarHBondContact OD1-ND2 2.9Å; D46-N86 PolarHBondContact OD2-ND2 2.95Å; D46-P416 HydrophobicContact CB-CG 4.09Å
47G95.3Very high93.7Very high1 Ų134.1 Ų34.11%0.0117%0.169CC..SBendtrans69.39.8-178.100000115.5S44 K45 L49 C63 Q413 P414S44-G47 PolarHBondContact O-N 2.57Å; S44-G47 PolarHBondContact OG-N 3.21Å; K45-G47 VanDerWaalsContact C-N 3.28Å; G47-L49 VanDerWaalsContact C-N 3.35Å; G47-C63 PolarHBondContact O-SG 2.74Å; G47-C63 VanDerWaalsContact O-SG 3.4Å; G47-Q413 PolarHBondContact O-NE2 3.27Å; G47-P414 VanDerWaalsContact CA-O 3.27Å; G47-P414 WeakPolarHBondContact CA-O 3.3Å
48T95.3Very high94.2Very high67 Ų6731.7 Ų31.741%0.41115%0.153SC..SBendtrans-74.9-26.2179.760.40000113.1S44 D46 K62 C63 N86S44-T48 PolarHBondContact OG-N 3.33Å; D46-T48 HydrophobicContact CB-CG2 4.39Å; D46-T48 PolarHBondContact O-N 2.87Å; D46-T48 PolarHBondContact OD1-N 3.33Å; D46-T48 VanDerWaalsContact OD1-N 3.08Å; D46-T48 PolarHBondContact OD1-OG1 2.77Å; D46-T48 WeakPolarHBondContact OD2-CB 3.24Å; D46-T48 WeakPolarHBondContact OD2-CG2 3.38Å; D46-T48 PolarHBondContact OD2-OG1 3.19Å; T48-K62 WeakPolarHBondContact O-CA 3.35Å; T48-C63 PolarHBondContact O-N 3.37Å; T48-N86 PolarHBondContact OG1-ND2 2.83Å; T48-N86 VanDerWaalsContact OG1-ND2 3.12Å
49L96.8Very high94.6Very high16 Ų1632.2 Ų32.28%0.08416%0.157CC..EExtended strand (participates in β ladder)trans-120151.9179.6-55.5-177.2000111.5F43 S44 G47 V60 V61 K62 C63 V69 F82 N86 L113F43-L49 CarbonylContact C-O 3.52Å; F43-L49 WeakPolarHBondContact CA-O 3.23Å; S44-L49 PolarHBondContact N-O 3.46Å; S44-L49 PolarHBondContact OG-N 3.16Å; S44-L49 PolarHBondContact OG-O 3.44Å; G47-L49 VanDerWaalsContact C-N 3.35Å; L49-V60 HydrophobicContact CB-CG1 4.38Å; L49-V60 HydrophobicContact CD1-CG1 4.19Å; L49-V61 WeakPolarHBondContact CA-O 3.37Å; L49-K62 HydrophobicContact CD2-CG 3.93Å; L49-C63 VanDerWaalsContact C-SG 3.57Å; L49-V69 HydrophobicContact CD2-CG2 3.83Å; L49-F82 HydrophobicContact CB-CE1 4.34Å; L49-F82 HydrophobicContact CB-CZ 4.29Å; L49-F82 HydrophobicContact CD1-CD1 4.45Å; L49-F82 HydrophobicContact CD1-CE1 4.15Å; L49-N86 HydrophobicContact CD1-CB 3.84Å; L49-L113 HydrophobicContact CD1-CD1 4.24Å
50I96.6Very high94.9Very high0 Ų025.6 Ų25.60%013%0.132CC..EExtended strand (participates in β ladder)trans-129.5134.7166.7-171176000109.2A9 L18 F31 L41 F43 W52 V60 V61A9-I50 HydrophobicContact CB-CD1 4.22Å; L18-I50 HydrophobicContact CD1-CD1 4.28Å; L18-I50 HydrophobicContact CD1-CG2 4.5Å; L18-I50 HydrophobicContact CD2-CD1 3.67Å; L18-I50 HydrophobicContact CG-CD1 4.39Å; F31-I50 HydrophobicContact CE2-CG2 4.34Å; L41-I50 HydrophobicContact CD1-CD1 3.84Å; L41-I50 HydrophobicContact CD1-CG1 4.32Å; L41-I50 HydrophobicContact CD2-CD1 4.13Å; L41-I50 HydrophobicContact CD2-CG1 4.36Å; L41-I50 HydrophobicContact CG-CD1 4.16Å; L41-I50 HydrophobicContact CG-CG1 4.23Å; F43-I50 HydrophobicContact CD1-CB 3.83Å; F43-I50 HydrophobicContact CD1-CD1 4.17Å; F43-I50 HydrophobicContact CD1-CG1 3.98Å; F43-I50 HydrophobicContact CE1-CB 3.88Å; F43-I50 HydrophobicContact CE1-CD1 3.58Å; F43-I50 HydrophobicContact CE1-CG1 3.91Å; F43-I50 HydrophobicContact CE2-CD1 4.27Å; F43-I50 HydrophobicContact CG-CG1 4.46Å; F43-I50 HydrophobicContact CZ-CD1 3.64Å; F43-I50 HydrophobicContact CZ-CG1 4.33Å; I50-W52 HydrophobicContact CG2-CZ3 4.32Å; I50-V60 WeakPolarHBondContact O-CA 3.13Å; I50-V61 HydrophobicContact CG2-CG2 3.37Å; I50-V61 PolarHBondContact N-O 3.45Å; I50-V61 PolarHBondContact O-N 2.83Å
51G96.2Very high95.1Very high0 Ų022.5 Ų22.50%012%0.12CC..EExtended strand (participates in β ladder)trans-121.8142.9176.800000111L41 T42 S59L41-G51 CarbonylContact C-O 3.28Å; L41-G51 WeakPolarHBondContact CA-O 3.35Å; T42-G51 PolarHBondContact N-O 2.79Å; T42-G51 PolarHBondContact O-N 3.18Å; G51-S59 VanDerWaalsContact CA-O 3.23Å; G51-S59 WeakPolarHBondContact CA-O 3.23Å
52W95.9Very high95.1Very high14 Ų1427.1 Ų27.15%0.05314%0.14CC..EExtended strand (participates in β ladder)trans-147158.2170.270.1100.4000112.1F31 D34 Y40 L41 I50 V58 S59 V61F31-W52 AromaticContact CE2-CH2 3.76Å; F31-W52 HydrophobicContact CE2-CH2 3.76Å; F31-W52 AromaticContact CE2-CZ3 3.77Å; F31-W52 HydrophobicContact CE2-CZ3 3.77Å; F31-W52 AromaticContact CZ-CH2 3.86Å; F31-W52 HydrophobicContact CZ-CH2 3.86Å; F31-W52 HydrophobicContact CZ-CZ2 4.28Å; F31-W52 HydrophobicContact CZ-CZ3 4.05Å; D34-W52 HydrophobicContact CB-CZ2 4.3Å; D34-W52 PolarHBondContact OD2-NE1 2.64Å; Y40-W52 CarbonylContact O-C 3.59Å; Y40-W52 VanDerWaalsContact O-CA 3.23Å; Y40-W52 WeakPolarHBondContact O-CA 3.33Å; Y40-W52 WeakPolarHBondContact O-CB 3.22Å; L41-W52 HydrophobicContact CB-CB 4.23Å; L41-W52 HydrophobicContact CD1-CB 4.22Å; L41-W52 HydrophobicContact CG-CB 4.34Å; I50-W52 HydrophobicContact CG2-CZ3 4.32Å; W52-V58 WeakPolarHBondContact O-CA 3.48Å; W52-S59 PolarHBondContact N-O 2.82Å; W52-S59 PolarHBondContact O-N 2.86Å; W52-V61 HydrophobicContact CH2-CG1 3.71Å; W52-V61 HydrophobicContact CH2-CG2 4.21Å; W52-V61 HydrophobicContact CZ3-CB 4.45Å; W52-V61 HydrophobicContact CZ3-CG1 3.87Å; W52-V61 HydrophobicContact CZ3-CG2 3.8Å
53C95.2Very high95Very high1 Ų126.3 Ų26.31%0.00714%0.135CC..EExtended strand (participates in β ladder)trans-122.1132.3172.5680000110.8S38 R39 Y40 S57 V58 T77 L80S38-C53 CarbonylContact C-O 3.5Å; S38-C53 WeakPolarHBondContact CA-O 3.2Å; S38-C53 PolarHBondContact OG-O 2.71Å; R39-C53 PolarHBondContact N-O 2.5Å; Y40-C53 PolarHBondContact O-N 3.32Å; C53-S57 WeakPolarHBondContact CA-O 3.26Å; C53-V58 HydrophobicContact CB-CG2 3.89Å; C53-T77 HydrophobicContact CB-CG2 4.08Å; C53-L80 HydrophobicContact CB-CD2 4.04Å
54N92.6Very high94.8Very high20 Ų2029.3 Ų29.311%0.10716%0.164CC..  trans-113.514.4-174.563.516.8000113.1D34 R36 H56 S57D34-N54 PolarHBondContact OD2-ND2 2.94Å; R36-N54 HydrophobicContact CB-CB 3.89Å; N54-H56 PolarHBondContact O-N 3.15Å; N54-H56 WeakPolarHBondContact OD1-CB 3.27Å; N54-H56 PolarHBondContact OD1-N 3.4Å; N54-S57 PolarHBondContact N-O 2.89Å; N54-S57 PolarHBondContact OD1-N 3.21Å; N54-S57 PolarHBondContact OD1-O 2.9Å
55G90.4Very high94.6Very high19 Ų1933.2 Ų33.220%0.19618%0.184CC..SBendtrans77.22.4-176.600000115.2P75G55-P75 CarbonylContact C-O 3.5Å; G55-P75 WeakPolarHBondContact O-CA 3.28Å; G55-P75 VanDerWaalsContact O-CB 3.31Å; G55-P75 WeakPolarHBondContact O-CB 3.35Å; G55-P75 VanDerWaalsContact O-O 3.11Å
56H92.4Very high94.5Very high109 Ų10929 Ų2951%0.50517%0.171SC..SBendtrans-116.8-53.1169.2-175.866.9000110.4N54 P75N54-H56 PolarHBondContact O-N 3.15Å; N54-H56 WeakPolarHBondContact OD1-CB 3.27Å; N54-H56 PolarHBondContact OD1-N 3.4Å; H56-P75 VanDerWaalsContact O-CA 3.31Å; H56-P75 WeakPolarHBondContact O-CA 2.98Å
57S94.4Very high94.5Very high13 Ų1328.9 Ų28.99%0.09117%0.173CC..  trans-133.6167.3179.860.50000111.9C53 N54 F72C53-S57 WeakPolarHBondContact CA-O 3.26Å; N54-S57 PolarHBondContact N-O 2.89Å; N54-S57 PolarHBondContact OD1-N 3.21Å; N54-S57 PolarHBondContact OD1-O 2.9Å; S57-F72 CarbonylContact C-O 3.6Å; S57-F72 WeakPolarHBondContact CA-O 3.38Å; S57-F72 VanDerWaalsContact CB-O 3.28Å; S57-F72 WeakPolarHBondContact CB-O 3.47Å
58V96.5Very high94.5Very high0 Ų033.4 Ų33.40%020%0.201CC..EExtended strand (participates in β ladder)trans-107.6125.4164.41790000107W52 C53 T71 F72 L74 T77 L80 L89 T91W52-V58 WeakPolarHBondContact O-CA 3.48Å; C53-V58 HydrophobicContact CB-CG2 3.89Å; V58-T71 CarbonylContact O-C 3.6Å; V58-T71 WeakPolarHBondContact O-CA 3.42Å; V58-F72 HydrophobicContact CB-CB 4.28Å; V58-F72 HydrophobicContact CB-CD2 4.22Å; V58-F72 HydrophobicContact CG1-CD2 4.29Å; V58-F72 PolarHBondContact N-O 2.88Å; V58-F72 PolarHBondContact O-N 3.4Å; V58-L74 HydrophobicContact CG2-CB 4.05Å; V58-L74 HydrophobicContact CG2-CD1 4.29Å; V58-T77 HydrophobicContact CG2-CG2 3.8Å; V58-T77 WeakPolarHBondContact CG2-OG1 3.48Å; V58-L80 HydrophobicContact CG1-CD1 4.43Å; V58-L89 HydrophobicContact CG1-CD2 4.18Å; V58-T91 HydrophobicContact CG2-CG2 4.43Å
59S95.6Very high94.5Very high16 Ų1631.7 Ų31.711%0.11219%0.19CC..EExtended strand (participates in β ladder)trans-115.4137179.2-56.30000109.6G51 W52G51-S59 VanDerWaalsContact CA-O 3.23Å; G51-S59 WeakPolarHBondContact CA-O 3.23Å; W52-S59 PolarHBondContact N-O 2.82Å; W52-S59 PolarHBondContact O-N 2.86Å
60V96.9Very high94.4Very high0 Ų031.5 Ų31.50%019%0.19CC..EExtended strand (participates in β ladder)trans-124.2123.9173.5-177.90000108.5L49 I50 V69 S70 F72 F82 L89 L113L49-V60 HydrophobicContact CB-CG1 4.38Å; L49-V60 HydrophobicContact CD1-CG1 4.19Å; I50-V60 WeakPolarHBondContact O-CA 3.13Å; V60-V69 HydrophobicContact CB-CB 4.45Å; V60-V69 HydrophobicContact CG1-CB 4.09Å; V60-V69 PolarHBondContact O-N 3.29Å; V60-S70 PolarHBondContact N-O 2.76Å; V60-S70 PolarHBondContact O-N 3.3Å; V60-F72 HydrophobicContact CG2-CE2 4.39Å; V60-F82 HydrophobicContact CG1-CE1 3.8Å; V60-F82 HydrophobicContact CG1-CZ 3.92Å; V60-F82 HydrophobicContact CG2-CE1 4.19Å; V60-F82 HydrophobicContact CG2-CZ 4.19Å; V60-L89 HydrophobicContact CG2-CD2 3.83Å; V60-L113 HydrophobicContact CG1-CD1 4.4Å
61V96Very high94.4Very high8 Ų835.3 Ų35.35%0.04821%0.214CC..EExtended strand (participates in β ladder)trans-131.4157.6179.7-47.90000110.8F31 L49 I50 W52 S67 V68F31-V61 HydrophobicContact CD2-CG2 4.12Å; F31-V61 HydrophobicContact CE2-CG2 3.91Å; L49-V61 WeakPolarHBondContact CA-O 3.37Å; I50-V61 HydrophobicContact CG2-CG2 3.37Å; I50-V61 PolarHBondContact N-O 3.45Å; I50-V61 PolarHBondContact O-N 2.83Å; W52-V61 HydrophobicContact CH2-CG1 3.71Å; W52-V61 HydrophobicContact CH2-CG2 4.21Å; W52-V61 HydrophobicContact CZ3-CB 4.45Å; W52-V61 HydrophobicContact CZ3-CG1 3.87Å; W52-V61 HydrophobicContact CZ3-CG2 3.8Å; V61-S67 CarbonylContact C-O 3.54Å; V61-S67 VanDerWaalsContact CA-O 3.23Å; V61-S67 WeakPolarHBondContact CA-O 3.41Å; V61-S67 WeakPolarHBondContact CB-O 3.41Å; V61-V68 HydrophobicContact CG1-CG2 4.21Å
62K95.6Very high94.4Very high97 Ų9736 Ų3642%0.42222%0.217SC..EExtended strand (participates in β ladder)trans-77.2135.3172.1-62.2-174-169.21620110.4T48 L49 A64 D65 G66 S67 V69T48-K62 WeakPolarHBondContact O-CA 3.35Å; L49-K62 HydrophobicContact CD2-CG 3.93Å; K62-A64 VanDerWaalsContact C-N 3.28Å; K62-A64 PolarHBondContact O-N 3.12Å; K62-D65 WeakPolarHBondContact CB-OD1 3.2Å; K62-G66 WeakPolarHBondContact O-CA 3.41Å; K62-G66 PolarHBondContact O-N 3.35Å; K62-S67 WeakPolarHBondContact CD-OG 3.32Å; K62-S67 PolarHBondContact N-O 2.9Å; K62-V69 HydrophobicContact CG-CG2 3.6Å
63C94.1Very high94.3Very high3 Ų341.7 Ų41.72%0.0225%0.248CC..THydrogen-bonded Turntrans-69.3-27.4176.3-65.10000112.7L7 Y28 G47 T48 L49L7-C63 HydrophobicContact CD1-CB 4.14Å; Y28-C63 VanDerWaalsContact CE1-O 3.28Å; Y28-C63 WeakPolarHBondContact CE1-O 2.94Å; Y28-C63 PolarHBondContact OH-O 2.86Å; G47-C63 PolarHBondContact O-SG 2.74Å; G47-C63 VanDerWaalsContact O-SG 3.4Å; T48-C63 PolarHBondContact O-N 3.37Å; L49-C63 VanDerWaalsContact C-SG 3.57Å
64A92.3Very high94.3Very high81 Ų8142.7 Ų42.767%0.66925%0.253SS*.THydrogen-bonded Turntrans-66.9-38.1-175.700000113.6Y28 K62Y28-A64 PolarHBondContact OH-O 2.58Å; K62-A64 VanDerWaalsContact C-N 3.28Å; K62-A64 PolarHBondContact O-N 3.12Å
65D91.5Very high94.3Very high83 Ų8344.8 Ų44.844%0.44427%0.268SS..THydrogen-bonded Turntrans-138.4-1.5-173.261.56.1000113.9K62 S67K62-D65 WeakPolarHBondContact CB-OD1 3.2Å; D65-S67 VanDerWaalsContact CG-OG 3.3Å; D65-S67 PolarHBondContact O-N 3.08Å; D65-S67 WeakPolarHBondContact OD1-CB 3.27Å; D65-S67 PolarHBondContact OD1-N 3.29Å; D65-S67 PolarHBondContact OD1-OG 3.02Å; D65-S67 PolarHBondContact OD2-OG 2.92Å
66G91.3Very high94.5Very high17 Ų1749.3 Ų49.318%0.17528%0.282CS..  trans728-176.400000114.4S30 K62S30-G66 WeakPolarHBondContact O-CA 3.45Å; K62-G66 WeakPolarHBondContact O-CA 3.41Å; K62-G66 PolarHBondContact O-N 3.35Å
67S94Very high94.6Very high41 Ų4144.1 Ų44.129%0.28726%0.258SS..  trans-64.7137.1179.260.80000111.5V61 K62 D65 V69V61-S67 CarbonylContact C-O 3.54Å; V61-S67 VanDerWaalsContact CA-O 3.23Å; V61-S67 WeakPolarHBondContact CA-O 3.41Å; V61-S67 WeakPolarHBondContact CB-O 3.41Å; K62-S67 WeakPolarHBondContact CD-OG 3.32Å; K62-S67 PolarHBondContact N-O 2.9Å; D65-S67 VanDerWaalsContact CG-OG 3.3Å; D65-S67 PolarHBondContact O-N 3.08Å; D65-S67 WeakPolarHBondContact OD1-CB 3.27Å; D65-S67 PolarHBondContact OD1-N 3.29Å; D65-S67 PolarHBondContact OD1-OG 3.02Å; D65-S67 PolarHBondContact OD2-OG 2.92Å; S67-V69 PolarHBondContact O-N 3.4Å
68V94.8Very high94.6Very high96 Ų9644.9 Ų44.958%0.58227%0.265SS*.EExtended strand (participates in β ladder)trans-70.7126.2178.8-179.40000109.7V61V61-V68 HydrophobicContact CG1-CG2 4.21Å
69V95.7Very high94.5Very high32 Ų3246.3 Ų46.319%0.19427%0.273CS..EExtended strand (participates in β ladder)trans-91-49172.9179.60000110L49 V60 K62 S67 P114L49-V69 HydrophobicContact CD2-CG2 3.83Å; V60-V69 HydrophobicContact CB-CB 4.45Å; V60-V69 HydrophobicContact CG1-CB 4.09Å; V60-V69 PolarHBondContact O-N 3.29Å; K62-V69 HydrophobicContact CG-CG2 3.6Å; S67-V69 PolarHBondContact O-N 3.4Å; V69-P114 HydrophobicContact CG1-CB 3.85Å
70S95.3Very high94.6Very high12 Ų1245.6 Ų45.68%0.08427%0.268CS..EExtended strand (participates in β ladder)trans-157.1149179.2-58.30000111V60 L113 P114V60-S70 PolarHBondContact N-O 2.76Å; V60-S70 PolarHBondContact O-N 3.3Å; S70-L113 WeakPolarHBondContact OG-CD2 3.48Å; S70-P114 PolarHBondContact OG-O 3.26Å
71T95.1Very high94.5Very high80 Ų8048.3 Ų48.349%0.49128%0.28SS..EExtended strand (participates in β ladder)trans-131.2134.1172.8-56.90000108.8V58V58-T71 CarbonylContact O-C 3.6Å; V58-T71 WeakPolarHBondContact O-CA 3.42Å
72F95.8Very high94.6Very high15 Ų1548.7 Ų48.77%0.06628%0.281CS..EExtended strand (participates in β ladder)trans-126.1132.3-177.6-50-95.7000111S57 V58 V60 L74 L89 W111 L113S57-F72 CarbonylContact C-O 3.6Å; S57-F72 WeakPolarHBondContact CA-O 3.38Å; S57-F72 VanDerWaalsContact CB-O 3.28Å; S57-F72 WeakPolarHBondContact CB-O 3.47Å; V58-F72 HydrophobicContact CB-CB 4.28Å; V58-F72 HydrophobicContact CB-CD2 4.22Å; V58-F72 HydrophobicContact CG1-CD2 4.29Å; V58-F72 PolarHBondContact N-O 2.88Å; V58-F72 PolarHBondContact O-N 3.4Å; V60-F72 HydrophobicContact CG2-CE2 4.39Å; F72-L74 HydrophobicContact CB-CD1 3.65Å; F72-L74 HydrophobicContact CB-CG 3.78Å; F72-L74 HydrophobicContact CG-CD1 4.3Å; F72-L74 PolarHBondContact O-N 2.95Å; F72-L89 HydrophobicContact CD2-CD2 4.17Å; F72-L89 HydrophobicContact CE2-CD2 3.59Å; F72-L89 HydrophobicContact CZ-CD2 4.18Å; F72-W111 AromaticContact CD1-CD2 3.93Å; F72-W111 HydrophobicContact CD1-CD2 3.93Å; F72-W111 AromaticContact CD1-CE3 3.73Å; F72-W111 HydrophobicContact CD1-CE3 3.73Å; F72-W111 HydrophobicContact CD1-CG 4.46Å; F72-W111 HydrophobicContact CD1-CH2 4.47Å; F72-W111 HydrophobicContact CD1-CZ3 4.01Å; F72-W111 HydrophobicContact CE1-CB 4.01Å; F72-W111 AromaticContact CE1-CD2 3.75Å; F72-W111 HydrophobicContact CE1-CD2 3.75Å; F72-W111 AromaticContact CE1-CE3 3.56Å; F72-W111 HydrophobicContact CE1-CE3 3.56Å; F72-W111 AromaticContact CE1-CG 3.96Å; F72-W111 HydrophobicContact CE1-CG 3.96Å; F72-W111 HydrophobicContact CE1-CZ3 4.25Å; F72-W111 HydrophobicContact CZ-CB 4.08Å; F72-W111 HydrophobicContact CZ-CG 4.32Å; F72-L113 HydrophobicContact CE2-CD2 4.45Å; F72-L113 HydrophobicContact CZ-CD2 4.11Å
73D95.3Very high94.5Very high132 Ų13244 Ų4471%0.70626%0.261SS*.  trans-80.270176.5-66.2-30000111.2P75D73-P75 VanDerWaalsContact C-CD 3.47Å; D73-P75 VanDerWaalsContact O-CD 3.28Å; D73-P75 WeakPolarHBondContact O-CD 3.32Å
74L94.4Very high94.5Very high22 Ų2244.9 Ų44.912%0.11527%0.267CS..  trans-119.772.8-175.6-57.9172.5000111.5V58 F72 K76 T77 T91 W111V58-L74 HydrophobicContact CG2-CB 4.05Å; V58-L74 HydrophobicContact CG2-CD1 4.29Å; F72-L74 HydrophobicContact CB-CD1 3.65Å; F72-L74 HydrophobicContact CB-CG 3.78Å; F72-L74 HydrophobicContact CG-CD1 4.3Å; F72-L74 PolarHBondContact O-N 2.95Å; L74-K76 PolarHBondContact O-N 2.96Å; L74-K76 VanDerWaalsContact O-N 3.15Å; L74-T77 WeakPolarHBondContact CB-OG1 3.43Å; L74-T77 WeakPolarHBondContact O-CB 3.33Å; L74-T77 PolarHBondContact O-N 2.85Å; L74-T77 VanDerWaalsContact O-N 3.14Å; L74-T77 PolarHBondContact O-OG1 3.34Å; L74-T91 HydrophobicContact CD1-CG2 4.14Å; L74-W111 HydrophobicContact CD1-CH2 4.35Å; L74-W111 HydrophobicContact CD1-CZ2 3.52Å; L74-W111 HydrophobicContact CD2-CH2 4.23Å; L74-W111 HydrophobicContact CD2-CZ2 3.87Å; L74-W111 HydrophobicContact CG-CZ2 4.26Å
75P93.3Very high94.5Very high64 Ų6445.4 Ų45.442%0.41626%0.258SS..THydrogen-bonded Turntrans-66.8-20.1-171.125.8-36.2000114.4R39 G55 H56 D73R39-P75 PolarHBondContact NH1-O 2.87Å; G55-P75 CarbonylContact C-O 3.5Å; G55-P75 WeakPolarHBondContact O-CA 3.28Å; G55-P75 VanDerWaalsContact O-CB 3.31Å; G55-P75 WeakPolarHBondContact O-CB 3.35Å; G55-P75 VanDerWaalsContact O-O 3.11Å; H56-P75 VanDerWaalsContact O-CA 3.31Å; H56-P75 WeakPolarHBondContact O-CA 2.98Å; D73-P75 VanDerWaalsContact C-CD 3.47Å; D73-P75 VanDerWaalsContact O-CD 3.28Å; D73-P75 WeakPolarHBondContact O-CD 3.32Å
76K93.6Very high94.7Very high114 Ų11442.3 Ų42.350%0.49624%0.241SC..THydrogen-bonded Turntrans-89.4-5-179.8-66.8179.6-175.3174.10113.4L74 A78 Q93L74-K76 PolarHBondContact O-N 2.96Å; L74-K76 VanDerWaalsContact O-N 3.15Å; K76-A78 PolarHBondContact O-N 2.63Å; K76-Q93 HydrophobicContact CB-CB 4.07Å; K76-Q93 VanDerWaalsContact CB-OE1 3.29Å; K76-Q93 WeakPolarHBondContact O-CB 3.09Å
77T95.2Very high94.8Very high1 Ų145 Ų451%0.00625%0.252CS..  trans-58.8133.4179.4-54.60000110.5C53 V58 L74 L79 T91C53-T77 HydrophobicContact CB-CG2 4.08Å; V58-T77 HydrophobicContact CG2-CG2 3.8Å; V58-T77 WeakPolarHBondContact CG2-OG1 3.48Å; L74-T77 WeakPolarHBondContact CB-OG1 3.43Å; L74-T77 WeakPolarHBondContact O-CB 3.33Å; L74-T77 PolarHBondContact O-N 2.85Å; L74-T77 VanDerWaalsContact O-N 3.14Å; L74-T77 PolarHBondContact O-OG1 3.34Å; T77-L79 WeakPolarHBondContact CG2-O 3.41Å; T77-T91 HydrophobicContact CG2-CG2 4.39Å
78A94.1Very high94.9Very high28 Ų2843.4 Ų43.423%0.23124%0.239CC..  trans-120.2-26.9177.700000112.4Y40 K76 W92 P94Y40-A78 WeakPolarHBondContact CB-O 3.24Å; K76-A78 PolarHBondContact O-N 2.63Å; A78-W92 HydrophobicContact CB-CE3 4.22Å; A78-W92 HydrophobicContact CB-CZ3 4.13Å; A78-W92 PolarHBondContact N-O 2.94Å; A78-P94 HydrophobicContact CB-CG 4.31Å
79L95.4Very high95.1Very high31 Ų3138.8 Ų38.816%0.16221%0.212CC..EExtended strand (participates in β ladder)trans-137.9149.8179.2-58.2171.1000109.8Y40 T77 W92 V127 W130Y40-L79 HydrophobicContact CD2-CD2 3.62Å; Y40-L79 HydrophobicContact CE2-CD2 3.61Å; Y40-L79 HydrophobicContact CG-CD2 4.2Å; T77-L79 WeakPolarHBondContact CG2-O 3.41Å; L79-W92 HydrophobicContact CB-CB 4.34Å; L79-W92 HydrophobicContact CB-CE3 4.37Å; L79-W92 HydrophobicContact CD1-CD2 4.37Å; L79-W92 HydrophobicContact CD1-CE3 3.78Å; L79-W92 HydrophobicContact CD1-CZ3 4.22Å; L79-W92 HydrophobicContact CG-CE3 4.05Å; L79-W92 PolarHBondContact N-O 3.15Å; L79-W92 VanDerWaalsContact N-O 3.14Å; L79-W92 PolarHBondContact O-N 2.83Å; L79-V127 HydrophobicContact CD1-CG1 4.16Å; L79-W130 HydrophobicContact CB-CD2 4.33Å; L79-W130 HydrophobicContact CB-CH2 3.87Å; L79-W130 HydrophobicContact CB-CZ2 3.63Å; L79-W130 HydrophobicContact CB-CZ3 4.34Å; L79-W130 HydrophobicContact CD1-CD2 3.99Å; L79-W130 HydrophobicContact CD1-CG 3.99Å; L79-W130 HydrophobicContact CD1-CZ2 4.34Å
80L96.3Very high95.1Very high1 Ų137.3 Ų37.31%0.00520%0.202CC..EExtended strand (participates in β ladder)trans-146.6148172.659.9144.9000111.1Y40 T42 C53 V58 L89 V90Y40-L80 HydrophobicContact CD1-CD2 3.7Å; Y40-L80 HydrophobicContact CD1-CG 4.03Å; Y40-L80 WeakPolarHBondContact CE1-O 3.43Å; Y40-L80 HydrophobicContact CG-CD2 4.33Å; T42-L80 HydrophobicContact CG2-CD1 3.96Å; T42-L80 HydrophobicContact CG2-CG 4.11Å; C53-L80 HydrophobicContact CB-CD2 4.04Å; V58-L80 HydrophobicContact CG1-CD1 4.43Å; L80-L89 HydrophobicContact CB-CD1 4.35Å; L80-L89 HydrophobicContact CD1-CD1 4.31Å; L80-V90 CarbonylContact C-O 3.58Å; L80-V90 WeakPolarHBondContact CA-O 3.44Å
81E96.5Very high95.2Very high56 Ų5636.8 Ų36.826%0.26220%0.199SC..EExtended strand (participates in β ladder)trans-148.4143.7178-166.1166.2177.300109.7V90 W130 C131 R133E81-V90 PolarHBondContact N-O 3.44Å; E81-V90 PolarHBondContact O-N 3.44Å; E81-W130 HydrophobicContact CB-CH2 3.9Å; E81-W130 HydrophobicContact CB-CZ2 4.12Å; E81-C131 VanDerWaalsContact OE2-CB 3.28Å; E81-C131 WeakPolarHBondContact OE2-CB 3.33Å; E81-C131 PolarHBondContact OE2-SG 2.84Å; E81-R133 IonicContact OE1-NH1 2.58Å; E81-R133 PolarHBondContact OE1-NH1 2.82Å; E81-R133 IonicContact OE2-NH1 2.6Å
82F96.6Very high95.3Very high16 Ų1633.8 Ų33.87%0.0718%0.178CC..EExtended strand (participates in β ladder)trans-93.8146.2175.2-64-84.7000110.1T42 L49 V60 L89 L113T42-F82 HydrophobicContact CG2-CD2 3.74Å; T42-F82 HydrophobicContact CG2-CE2 3.64Å; L49-F82 HydrophobicContact CB-CE1 4.34Å; L49-F82 HydrophobicContact CB-CZ 4.29Å; L49-F82 HydrophobicContact CD1-CD1 4.45Å; L49-F82 HydrophobicContact CD1-CE1 4.15Å; V60-F82 HydrophobicContact CG1-CE1 3.8Å; V60-F82 HydrophobicContact CG1-CZ 3.92Å; V60-F82 HydrophobicContact CG2-CE1 4.19Å; V60-F82 HydrophobicContact CG2-CZ 4.19Å; F82-L89 HydrophobicContact CD1-CD1 3.9Å; F82-L89 HydrophobicContact CE1-CD1 3.71Å; F82-L89 HydrophobicContact CG-CD1 4.42Å; F82-L89 HydrophobicContact CZ-CD1 4.05Å; F82-L113 HydrophobicContact CD1-CD1 4.01Å; F82-L113 HydrophobicContact CE1-CD1 3.84Å
83S95.1Very high95.2Very high0 Ų034 Ų340%018%0.18CC..  trans-68.2155.7163.964.70000110.8L85 N86 N87 I88 E138S83-L85 VanDerWaalsContact C-N 3.3Å; S83-L85 PolarHBondContact O-N 3.27Å; S83-L85 VanDerWaalsContact O-N 3.15Å; S83-N86 PolarHBondContact O-N 3.27Å; S83-N86 PolarHBondContact O-OD1 3.13Å; S83-N87 PolarHBondContact OG-N 2.84Å; S83-I88 PolarHBondContact N-O 3.35Å; S83-I88 PolarHBondContact OG-N 2.94Å; S83-I88 PolarHBondContact OG-O 2.95Å; S83-E138 VanDerWaalsContact C-OE1 3.25Å; S83-E138 WeakPolarHBondContact CB-OE1 3.32Å; S83-E138 VanDerWaalsContact OG-CD 3.27Å; S83-E138 PolarHBondContact OG-OE1 2.76Å
84P92.6Very high94.9Very high21 Ų2130.9 Ų30.914%0.13617%0.167CC..THydrogen-bonded Turntrans-55.6-31.1-170.9-31.937.9000117.3K45 W134 E138K45-P84 HydrophobicContact CD-CB 4.15Å; P84-W134 VanDerWaalsContact CD-CB 3.5Å; P84-W134 HydrophobicContact CG-CB 3.85Å; P84-E138 HydrophobicContact CB-CG 4.43Å
85L93.3Very high94.5Very high92 Ų9232.4 Ų32.448%0.48217%0.171SC..THydrogen-bonded Turntrans-103.811177.2-55.2179.2000112.7S83 N87 E138S83-L85 VanDerWaalsContact C-N 3.3Å; S83-L85 PolarHBondContact O-N 3.27Å; S83-L85 VanDerWaalsContact O-N 3.15Å; L85-N87 PolarHBondContact O-N 3.22Å; L85-E138 VanDerWaalsContact CA-OE1 3.27Å; L85-E138 WeakPolarHBondContact CA-OE1 3.39Å; L85-E138 HydrophobicContact CB-CG 4.1Å; L85-E138 WeakPolarHBondContact CB-OE1 3.47Å; L85-E138 HydrophobicContact CD1-CB 4.19Å; L85-E138 HydrophobicContact CD1-CG 4.22Å; L85-E138 HydrophobicContact CG-CB 4.48Å; L85-E138 HydrophobicContact CG-CG 3.97Å; L85-E138 PolarHBondContact N-OE1 3.4Å
86N94.7Very high93.9Very high18 Ų1833.1 Ų33.110%0.09617%0.174CC..SBendtrans65.316.4175.1-52.4-32.4000115.9S44 D46 T48 L49 S83 E138S44-N86 WeakPolarHBondContact CB-OD1 3.07Å; D46-N86 PolarHBondContact OD1-ND2 2.9Å; D46-N86 PolarHBondContact OD2-ND2 2.95Å; T48-N86 PolarHBondContact OG1-ND2 2.83Å; T48-N86 VanDerWaalsContact OG1-ND2 3.12Å; L49-N86 HydrophobicContact CD1-CB 3.84Å; S83-N86 PolarHBondContact O-N 3.27Å; S83-N86 PolarHBondContact O-OD1 3.13Å; N86-E138 PolarHBondContact N-OE1 2.98Å
87N94.5Very high93.4Very high74 Ų7433.6 Ų33.640%0.39618%0.176SC..SBendtrans-76.4-27.4178-60.8-50.9000112.5S83 L85 E112 L113 E138S83-N87 PolarHBondContact OG-N 2.84Å; L85-N87 PolarHBondContact O-N 3.22Å; N87-E112 WeakPolarHBondContact O-CA 3.44Å; N87-L113 PolarHBondContact O-N 3.09Å; N87-E138 WeakPolarHBondContact CB-OE2 3.14Å; N87-E138 PolarHBondContact ND2-OE2 2.85Å
88I96.6Very high92.5Very high6 Ų636.8 Ų36.83%0.03120%0.196CC..EExtended strand (participates in β ladder)trans-124.2129.6-177-54.3-66.4000110.3S83 V90 L110 W111 V119 W134 N155S83-I88 PolarHBondContact N-O 3.35Å; S83-I88 PolarHBondContact OG-N 2.94Å; S83-I88 PolarHBondContact OG-O 2.95Å; I88-V90 HydrophobicContact CG2-CG2 4.33Å; I88-L110 HydrophobicContact CG2-CB 4.06Å; I88-L110 HydrophobicContact CG2-CD2 4.3Å; I88-L110 HydrophobicContact CG2-CG 4.38Å; I88-W111 CarbonylContact C-O 3.57Å; I88-W111 VanDerWaalsContact CA-O 3.26Å; I88-W111 WeakPolarHBondContact CA-O 3.41Å; I88-V119 HydrophobicContact CD1-CG2 4.13Å; I88-W134 HydrophobicContact CG2-CZ2 4.34Å; I88-N155 HydrophobicContact CD1-CB 4.48Å; I88-N155 HydrophobicContact CG1-CB 4.46Å
89L97.4Very high91.6Very high0 Ų044.8 Ų44.80%023%0.229CC..EExtended strand (participates in β ladder)trans-98.9128.2163.2177.471000109V58 V60 F72 L80 F82 T91 W111 L113V58-L89 HydrophobicContact CG1-CD2 4.18Å; V60-L89 HydrophobicContact CG2-CD2 3.83Å; F72-L89 HydrophobicContact CD2-CD2 4.17Å; F72-L89 HydrophobicContact CE2-CD2 3.59Å; F72-L89 HydrophobicContact CZ-CD2 4.18Å; L80-L89 HydrophobicContact CB-CD1 4.35Å; L80-L89 HydrophobicContact CD1-CD1 4.31Å; F82-L89 HydrophobicContact CD1-CD1 3.9Å; F82-L89 HydrophobicContact CE1-CD1 3.71Å; F82-L89 HydrophobicContact CG-CD1 4.42Å; F82-L89 HydrophobicContact CZ-CD1 4.05Å; L89-T91 HydrophobicContact CD2-CG2 4.12Å; L89-T91 HydrophobicContact CG-CG2 4.2Å; L89-W111 HydrophobicContact CB-CB 4.3Å; L89-W111 PolarHBondContact N-O 2.6Å; L89-W111 PolarHBondContact O-N 2.93Å; L89-L113 HydrophobicContact CB-CD1 3.99Å; L89-L113 HydrophobicContact CB-CD2 4.46Å; L89-L113 HydrophobicContact CB-CG 4.13Å
90V97.2Very high90.6Very high0 Ų050.5 Ų50.50%026%0.259CS..EExtended strand (participates in β ladder)trans-101.9126.4173.4-166.40000108.4L80 E81 I88 L108 Q109 W130 W134L80-V90 CarbonylContact C-O 3.58Å; L80-V90 WeakPolarHBondContact CA-O 3.44Å; E81-V90 PolarHBondContact N-O 3.44Å; E81-V90 PolarHBondContact O-N 3.44Å; I88-V90 HydrophobicContact CG2-CG2 4.33Å; V90-L108 HydrophobicContact CG1-CD1 3.44Å; V90-L108 VanDerWaalsContact CG1-CD1 3.44Å; V90-L108 HydrophobicContact CG1-CG 4.32Å; V90-Q109 WeakPolarHBondContact CA-O 3.39Å; V90-W130 HydrophobicContact CB-CZ3 4.33Å; V90-W130 HydrophobicContact CG1-CZ3 3.79Å; V90-W134 HydrophobicContact CG2-CH2 3.41Å; V90-W134 VanDerWaalsContact CG2-CH2 3.41Å; V90-W134 HydrophobicContact CG2-CZ2 4.41Å; V90-W134 HydrophobicContact CG2-CZ3 3.85Å
91T96.9Very high89.5Confident1 Ų152.6 Ų52.61%0.00627%0.274CS..EExtended strand (participates in β ladder)trans-115.9143.4171.563.20000110.3V58 L74 T77 L89 L108 Q109 W111V58-T91 HydrophobicContact CG2-CG2 4.43Å; L74-T91 HydrophobicContact CD1-CG2 4.14Å; T77-T91 HydrophobicContact CG2-CG2 4.39Å; L89-T91 HydrophobicContact CD2-CG2 4.12Å; L89-T91 HydrophobicContact CG-CG2 4.2Å; T91-L108 WeakPolarHBondContact O-CA 3Å; T91-Q109 PolarHBondContact N-O 3.01Å; T91-Q109 PolarHBondContact O-N 3.12Å; T91-W111 PolarHBondContact OG1-NE1 2.91Å
92W96.1Very high88.3Confident17 Ų1754.5 Ų54.56%0.06429%0.291CS..EExtended strand (participates in β ladder)trans-134139.9176.1-179.497.8000112A78 L79 P94 N107 L108 Q124 V127 W130A78-W92 HydrophobicContact CB-CE3 4.22Å; A78-W92 HydrophobicContact CB-CZ3 4.13Å; A78-W92 PolarHBondContact N-O 2.94Å; L79-W92 HydrophobicContact CB-CB 4.34Å; L79-W92 HydrophobicContact CB-CE3 4.37Å; L79-W92 HydrophobicContact CD1-CD2 4.37Å; L79-W92 HydrophobicContact CD1-CE3 3.78Å; L79-W92 HydrophobicContact CD1-CZ3 4.22Å; L79-W92 HydrophobicContact CG-CE3 4.05Å; L79-W92 PolarHBondContact N-O 3.15Å; L79-W92 VanDerWaalsContact N-O 3.14Å; L79-W92 PolarHBondContact O-N 2.83Å; W92-P94 HydrophobicContact CH2-CB 4.39Å; W92-P94 HydrophobicContact CH2-CG 4.37Å; W92-P94 HydrophobicContact CZ3-CG 4.17Å; W92-N107 VanDerWaalsContact CA-O 3.3Å; W92-N107 WeakPolarHBondContact CA-O 3.45Å; W92-N107 PolarHBondContact NE1-ND2 3.21Å; W92-L108 HydrophobicContact CB-CD1 4.22Å; W92-Q124 PolarHBondContact NE1-O 3.23Å; W92-V127 HydrophobicContact CH2-CG1 4.5Å; W92-V127 HydrophobicContact CH2-CG2 3.58Å; W92-V127 HydrophobicContact CZ2-CG2 3.69Å; W92-W130 HydrophobicContact CB-CD2 3.99Å; W92-W130 HydrophobicContact CB-CE3 3.18Å; W92-W130 HydrophobicContact CB-CH2 4.41Å; W92-W130 HydrophobicContact CB-CZ3 3.42Å; W92-W130 VanDerWaalsContact CB-CZ3 3.42Å; W92-W130 HydrophobicContact CD2-CB 4.45Å; W92-W130 HydrophobicContact CG-CB 4.16Å; W92-W130 HydrophobicContact CG-CD2 4.19Å; W92-W130 AromaticContact CG-CE3 3.71Å; W92-W130 HydrophobicContact CG-CE3 3.71Å; W92-W130 HydrophobicContact CG-CG 4.43Å; W92-W130 HydrophobicContact CG-CZ3 4.41Å
93Q93.7Very high87Confident21 Ų2161 Ų6110%0.09832%0.322CS..  trans-124.5153.9175.664.3-177.727.700111K76 Y95 N107K76-Q93 HydrophobicContact CB-CB 4.07Å; K76-Q93 VanDerWaalsContact CB-OE1 3.29Å; K76-Q93 WeakPolarHBondContact O-CB 3.09Å; Q93-Y95 PolarHBondContact O-N 2.97Å; Q93-N107 HydrophobicContact CG-CB 3.82Å; Q93-N107 PolarHBondContact N-O 2.84Å; Q93-N107 WeakPolarHBondContact O-CB 3.17Å; Q93-N107 PolarHBondContact O-ND2 2.88Å
94P89.8Confident86.1Confident66 Ų6661.2 Ų61.243%0.42932%0.324SS..  trans-53.9131.5172.5-26.135.8000111.1A78 W92 T96A78-P94 HydrophobicContact CB-CG 4.31Å; W92-P94 HydrophobicContact CH2-CB 4.39Å; W92-P94 HydrophobicContact CH2-CG 4.37Å; W92-P94 HydrophobicContact CZ3-CG 4.17Å; P94-T96 PolarHBondContact O-N 2.75Å
95Y85.1Confident85.7Confident54 Ų5463.5 Ų63.521%0.21234%0.336CS..  trans-72.4112.5179.3179.2-100.2000109.9Q93 K97 Q103 N107 Y123 K125Q93-Y95 PolarHBondContact O-N 2.97Å; Y95-K97 HydrophobicContact CE1-CD 4.15Å; Y95-K97 HydrophobicContact CE1-CG 3.65Å; Y95-K97 WeakPolarHBondContact OH-CE 3.4Å; Y95-Q103 PolarHBondContact OH-O 2.58Å; Y95-N107 HydrophobicContact CD2-CB 4.36Å; Y95-Y123 HydrophobicContact CE2-CD1 4.02Å; Y95-K125 HydrophobicContact CD1-CG 4.18Å; Y95-K125 HydrophobicContact CE1-CD 4.42Å; Y95-K125 HydrophobicContact CE1-CG 4.3Å; Y95-K125 HydrophobicContact CG-CG 4.3Å
96T80.9Confident85.4Confident78 Ų7860.1 Ų60.148%0.47932%0.321SS..  trans-113.8134.7178.8-50.40000109.5P94 T98 G104P94-T96 PolarHBondContact O-N 2.75Å; T96-T98 HydrophobicContact CG2-CG2 4.48Å; T96-G104 WeakPolarHBondContact O-CA 3.18Å
97K82.9Confident85.3Confident124 Ų12459.3 Ų59.354%0.53932%0.317SS..  trans-104.2132167.9-67.9-175.7170.8-163.30108.6Y95Y95-K97 HydrophobicContact CE1-CD 4.15Å; Y95-K97 HydrophobicContact CE1-CG 3.65Å; Y95-K97 WeakPolarHBondContact OH-CE 3.4Å
98T76.9Confident85.3Confident69 Ų6955.8 Ų55.842%0.42330%0.298SS..BIsolated β-bridgetrans-114.1163172.6570000109.4T96 D100 S101T96-T98 HydrophobicContact CG2-CG2 4.48Å; T98-D100 PolarHBondContact O-N 3.3Å; T98-S101 CarbonylContact O-C 3.6Å; T98-S101 PolarHBondContact O-N 3.19Å; T98-S101 PolarHBondContact OG1-N 3.2Å
99Q74.7Confident85.3Confident195 Ų19557 Ų5791%0.91130%0.303SS*.THydrogen-bonded Turntrans-60.2-34.6175.2-72.8-178.4-11.200111.4
100D74.6Confident85.3Confident151 Ų15157 Ų5781%0.80730%0.303SS*.THydrogen-bonded Turntrans-78-16.3178.2-53.4-46.5000114T98T98-D100 PolarHBondContact O-N 3.3Å
101S73.8Confident85.3Confident46 Ų4658.4 Ų58.432%0.32231%0.309SS..BIsolated β-bridgetrans-137.177.5178.1-74.40000110.5T98 Q103 G104T98-S101 CarbonylContact O-C 3.6Å; T98-S101 PolarHBondContact O-N 3.19Å; T98-S101 PolarHBondContact OG1-N 3.2Å; S101-Q103 PolarHBondContact O-N 3.1Å; S101-G104 WeakPolarHBondContact O-CA 3.05Å; S101-G104 PolarHBondContact O-N 2.88Å
102P70.1Confident85.2Confident95 Ų9561.3 Ų61.362%0.61732%0.322SS*.THydrogen-bonded Turntrans-65.2-22.4-174.621.6-31.2000113.9G104P102-G104 VanDerWaalsContact C-N 3.33Å
103Q69.8Low85.1Confident152 Ų15261.1 Ų61.171%0.7132%0.322SS*.THydrogen-bonded Turntrans-82-9.8172.3-65.2-169.6-0.700113.3Y95 S101Y95-Q103 PolarHBondContact OH-O 2.58Å; S101-Q103 PolarHBondContact O-N 3.1Å
104G77.1Confident84.9Confident5 Ų565 Ų655%0.05235%0.349CS..  trans71.3167.9-173.300000113.2T96 S101 P102 Y123T96-G104 WeakPolarHBondContact O-CA 3.18Å; S101-G104 WeakPolarHBondContact O-CA 3.05Å; S101-G104 PolarHBondContact O-N 2.88Å; P102-G104 VanDerWaalsContact C-N 3.33Å; G104-Y123 WeakPolarHBondContact O-CE1 3.28Å
105D82.6Confident85Confident70 Ų7065.2 Ų65.237%0.37435%0.352SS..  trans-79148.8174.3-64.4-32.4000111.1N107D105-N107 PolarHBondContact O-N 2.89Å
106A88.6Confident85.4Confident21 Ų2163.8 Ų63.817%0.17435%0.354CS..  trans-63.811016900000108.8A121 L122 Y123A106-A121 HydrophobicContact CB-CB 3.67Å; A106-L122 CarbonylContact C-O 3.57Å; A106-Y123 HydrophobicContact CB-CE1 4.26Å
107N92.8Very high86Confident1 Ų166.9 Ų66.91%0.00536%0.357CS..  trans-101.6-3.6-16574.5-58.5000114W92 Q93 Y95 D105 L122 Q124W92-N107 VanDerWaalsContact CA-O 3.3Å; W92-N107 WeakPolarHBondContact CA-O 3.45Å; W92-N107 PolarHBondContact NE1-ND2 3.21Å; Q93-N107 HydrophobicContact CG-CB 3.82Å; Q93-N107 PolarHBondContact N-O 2.84Å; Q93-N107 WeakPolarHBondContact O-CB 3.17Å; Q93-N107 PolarHBondContact O-ND2 2.88Å; Y95-N107 HydrophobicContact CD2-CB 4.36Å; D105-N107 PolarHBondContact O-N 2.89Å; N107-L122 PolarHBondContact N-O 3.33Å; N107-Q124 PolarHBondContact ND2-O 2.98Å; N107-Q124 PolarHBondContact OD1-N 2.71Å; N107-Q124 PolarHBondContact OD1-O 2.8Å
108L94.6Very high86.7Confident0 Ų064.8 Ų64.80%035%0.351CS..EExtended strand (participates in β ladder)trans-116.2120.6170.2-179.971.3000108.3V90 T91 W92 L110 L122 Q124 W130 P132V90-L108 HydrophobicContact CG1-CD1 3.44Å; V90-L108 VanDerWaalsContact CG1-CD1 3.44Å; V90-L108 HydrophobicContact CG1-CG 4.32Å; T91-L108 WeakPolarHBondContact O-CA 3Å; W92-L108 HydrophobicContact CB-CD1 4.22Å; L108-L110 HydrophobicContact CG-CD1 4.39Å; L108-L122 HydrophobicContact CB-CB 4.34Å; L108-L122 HydrophobicContact CD2-CB 4.25Å; L108-L122 HydrophobicContact CD2-CD1 4.38Å; L108-L122 PolarHBondContact N-O 3Å; L108-L122 PolarHBondContact O-N 3.39Å; L108-Q124 HydrophobicContact CB-CB 3.99Å; L108-Q124 HydrophobicContact CD2-CB 4.14Å; L108-W130 HydrophobicContact CD1-CE3 3.77Å; L108-W130 HydrophobicContact CD1-CZ3 4.08Å; L108-W130 VanDerWaalsContact CD1-O 3.32Å; L108-W130 WeakPolarHBondContact CD1-O 3.41Å; L108-W130 WeakPolarHBondContact CD2-O 3.23Å; L108-P132 HydrophobicContact CD2-CG 4.32Å
109Q95.8Very high87.5Confident32 Ų3263.2 Ų63.215%0.1534%0.341CS..EExtended strand (participates in β ladder)trans-125.2137.9-176.4-64.4170-38.300110.1V90 T91 W111 L118 A121V90-Q109 WeakPolarHBondContact CA-O 3.39Å; T91-Q109 PolarHBondContact N-O 3.01Å; T91-Q109 PolarHBondContact O-N 3.12Å; Q109-W111 HydrophobicContact CB-CZ2 4.01Å; Q109-W111 HydrophobicContact CG-CZ2 4.42Å; Q109-L118 HydrophobicContact CB-CD1 3.92Å; Q109-L118 HydrophobicContact CG-CD1 4.29Å; Q109-A121 HydrophobicContact CG-CB 4.38Å
110L96.7Very high88.5Confident0 Ų056.9 Ų56.90%031%0.311CS..EExtended strand (participates in β ladder)trans-113.9122.8179-69.382.3000108.5I88 L108 V119 K120 L122 W134 F157I88-L110 HydrophobicContact CG2-CB 4.06Å; I88-L110 HydrophobicContact CG2-CD2 4.3Å; I88-L110 HydrophobicContact CG2-CG 4.38Å; L108-L110 HydrophobicContact CG-CD1 4.39Å; L110-V119 HydrophobicContact CB-CB 4.45Å; L110-V119 WeakPolarHBondContact O-CB 3.4Å; L110-V119 PolarHBondContact O-N 2.92Å; L110-K120 PolarHBondContact N-O 3.41Å; L110-K120 PolarHBondContact O-N 3.22Å; L110-L122 HydrophobicContact CD1-CD1 3.71Å; L110-L122 HydrophobicContact CD1-CG 4.39Å; L110-W134 HydrophobicContact CD2-CH2 4.44Å; L110-W134 HydrophobicContact CD2-CZ2 4.22Å; L110-F157 HydrophobicContact CD2-CD1 3.87Å; L110-F157 HydrophobicContact CD2-CD2 3.82Å; L110-F157 HydrophobicContact CD2-CE1 3.54Å; L110-F157 HydrophobicContact CD2-CE2 3.48Å; L110-F157 VanDerWaalsContact CD2-CE2 3.48Å; L110-F157 HydrophobicContact CD2-CG 4.01Å; L110-F157 HydrophobicContact CD2-CZ 3.34Å
111W96.8Very high89.4Confident29 Ų2951.6 Ų51.611%0.1129%0.289CS..EExtended strand (participates in β ladder)trans-117.8132.9-174.8-51.888.4000109.8F72 L74 I88 L89 T91 Q109 R117 L118F72-W111 AromaticContact CD1-CD2 3.93Å; F72-W111 HydrophobicContact CD1-CD2 3.93Å; F72-W111 AromaticContact CD1-CE3 3.73Å; F72-W111 HydrophobicContact CD1-CE3 3.73Å; F72-W111 HydrophobicContact CD1-CG 4.46Å; F72-W111 HydrophobicContact CD1-CH2 4.47Å; F72-W111 HydrophobicContact CD1-CZ3 4.01Å; F72-W111 HydrophobicContact CE1-CB 4.01Å; F72-W111 AromaticContact CE1-CD2 3.75Å; F72-W111 HydrophobicContact CE1-CD2 3.75Å; F72-W111 AromaticContact CE1-CE3 3.56Å; F72-W111 HydrophobicContact CE1-CE3 3.56Å; F72-W111 AromaticContact CE1-CG 3.96Å; F72-W111 HydrophobicContact CE1-CG 3.96Å; F72-W111 HydrophobicContact CE1-CZ3 4.25Å; F72-W111 HydrophobicContact CZ-CB 4.08Å; F72-W111 HydrophobicContact CZ-CG 4.32Å; L74-W111 HydrophobicContact CD1-CH2 4.35Å; L74-W111 HydrophobicContact CD1-CZ2 3.52Å; L74-W111 HydrophobicContact CD2-CH2 4.23Å; L74-W111 HydrophobicContact CD2-CZ2 3.87Å; L74-W111 HydrophobicContact CG-CZ2 4.26Å; I88-W111 CarbonylContact C-O 3.57Å; I88-W111 VanDerWaalsContact CA-O 3.26Å; I88-W111 WeakPolarHBondContact CA-O 3.41Å; L89-W111 HydrophobicContact CB-CB 4.3Å; L89-W111 PolarHBondContact N-O 2.6Å; L89-W111 PolarHBondContact O-N 2.93Å; T91-W111 PolarHBondContact OG1-NE1 2.91Å; Q109-W111 HydrophobicContact CB-CZ2 4.01Å; Q109-W111 HydrophobicContact CG-CZ2 4.42Å; W111-R117 WeakPolarHBondContact CA-O 3.23Å; W111-L118 HydrophobicContact CD2-CD1 4.07Å; W111-L118 HydrophobicContact CE3-CB 3.93Å; W111-L118 HydrophobicContact CE3-CD1 4.09Å; W111-L118 HydrophobicContact CH2-CB 4.34Å; W111-L118 HydrophobicContact CH2-CD1 4.01Å; W111-L118 HydrophobicContact CZ2-CD1 3.96Å; W111-L118 HydrophobicContact CZ3-CB 3.73Å; W111-L118 HydrophobicContact CZ3-CD1 4.07Å; W111-L118 HydrophobicContact CZ3-CG 4.42Å
112E95.7Very high90.3Very high62 Ų6250.5 Ų50.529%0.2928%0.279SS..EExtended strand (participates in β ladder)trans-78.8130173.5-178.9-177.2-108.200109.5N87 S115 G116 R117 V119N87-E112 WeakPolarHBondContact O-CA 3.44Å; E112-S115 WeakPolarHBondContact CB-OG 3.37Å; E112-S115 WeakPolarHBondContact CG-OG 3.18Å; E112-S115 PolarHBondContact O-N 3.12Å; E112-S115 PolarHBondContact O-OG 3Å; E112-S115 PolarHBondContact OE2-OG 3.02Å; E112-G116 WeakPolarHBondContact O-CA 3.23Å; E112-G116 PolarHBondContact O-N 2.87Å; E112-R117 HydrophobicContact CB-CB 4.46Å; E112-R117 PolarHBondContact N-O 3.47Å; E112-R117 IonicContact OE1-CZ 2.76Å; E112-R117 IonicContact OE1-NH2 3.07Å; E112-R117 PolarHBondContact OE1-NH2 3.49Å; E112-R117 IonicContact OE2-CZ 3.91Å; E112-R117 IonicContact OE2-NE 3.6Å; E112-R117 PolarHBondContact OE2-NE 2.94Å; E112-R117 IonicContact OE2-NH2 2.91Å; E112-R117 PolarHBondContact OE2-NH2 2.85Å; E112-V119 HydrophobicContact CB-CG2 3.64Å
113L94Very high91.2Very high13 Ų1351.3 Ų51.37%0.06827%0.27CS..THydrogen-bonded Turntrans-104.4142.7172.3-66.1179.6000109.8L49 V60 S70 F72 F82 N87 L89L49-L113 HydrophobicContact CD1-CD1 4.24Å; V60-L113 HydrophobicContact CG1-CD1 4.4Å; S70-L113 WeakPolarHBondContact OG-CD2 3.48Å; F72-L113 HydrophobicContact CE2-CD2 4.45Å; F72-L113 HydrophobicContact CZ-CD2 4.11Å; F82-L113 HydrophobicContact CD1-CD1 4.01Å; F82-L113 HydrophobicContact CE1-CD1 3.84Å; N87-L113 PolarHBondContact O-N 3.09Å; L89-L113 HydrophobicContact CB-CD1 3.99Å; L89-L113 HydrophobicContact CB-CD2 4.46Å; L89-L113 HydrophobicContact CB-CG 4.13Å
114P89.3Confident92.1Very high101 Ų10145 Ų4566%0.65624%0.241SC*.THydrogen-bonded Turncis-88.32.81.336.4-36.2000113.8V69 S70 G116V69-P114 HydrophobicContact CG1-CB 3.85Å; S70-P114 PolarHBondContact OG-O 3.26Å; P114-G116 PolarHBondContact O-N 2.82Å
115S92.1Very high92.5Very high71 Ų7151.4 Ų51.450%0.49727%0.267SS..THydrogen-bonded Turntrans-64.1-24-171.769.50000113.8E112 R117E112-S115 WeakPolarHBondContact CB-OG 3.37Å; E112-S115 WeakPolarHBondContact CG-OG 3.18Å; E112-S115 PolarHBondContact O-N 3.12Å; E112-S115 PolarHBondContact O-OG 3Å; E112-S115 PolarHBondContact OE2-OG 3.02Å; S115-R117 PolarHBondContact O-N 2.86Å; S115-R117 WeakPolarHBondContact OG-CB 3.28Å; S115-R117 PolarHBondContact OG-N 3.02Å
116G92.8Very high92.5Very high25 Ų2554.5 Ų54.526%0.25828%0.278SS..THydrogen-bonded Turntrans71.310.5-174.300000113.2E112 P114E112-G116 WeakPolarHBondContact O-CA 3.23Å; E112-G116 PolarHBondContact O-N 2.87Å; P114-G116 PolarHBondContact O-N 2.82Å
117R95.2Very high92.3Very high143 Ų14356.9 Ų56.954%0.5429%0.29SS..EExtended strand (participates in β ladder)trans-76.1131.7-176.1-175.2176.664.6120.50110.8W111 E112 S115 V119W111-R117 WeakPolarHBondContact CA-O 3.23Å; E112-R117 HydrophobicContact CB-CB 4.46Å; E112-R117 PolarHBondContact N-O 3.47Å; E112-R117 IonicContact OE1-CZ 2.76Å; E112-R117 IonicContact OE1-NH2 3.07Å; E112-R117 PolarHBondContact OE1-NH2 3.49Å; E112-R117 IonicContact OE2-CZ 3.91Å; E112-R117 IonicContact OE2-NE 3.6Å; E112-R117 PolarHBondContact OE2-NE 2.94Å; E112-R117 IonicContact OE2-NH2 2.91Å; E112-R117 PolarHBondContact OE2-NH2 2.85Å; S115-R117 PolarHBondContact O-N 2.86Å; S115-R117 WeakPolarHBondContact OG-CB 3.28Å; S115-R117 PolarHBondContact OG-N 3.02Å; R117-V119 PolarHBondContact O-N 3.29Å
118L95.8Very high91.7Very high80 Ų8063.9 Ų63.942%0.41933%0.327SS..EExtended strand (participates in β ladder)trans-67.9112.9171.1-177.566.8000109.7Q109 W111 A121Q109-L118 HydrophobicContact CB-CD1 3.92Å; Q109-L118 HydrophobicContact CG-CD1 4.29Å; W111-L118 HydrophobicContact CD2-CD1 4.07Å; W111-L118 HydrophobicContact CE3-CB 3.93Å; W111-L118 HydrophobicContact CE3-CD1 4.09Å; W111-L118 HydrophobicContact CH2-CB 4.34Å; W111-L118 HydrophobicContact CH2-CD1 4.01Å; W111-L118 HydrophobicContact CZ2-CD1 3.96Å; W111-L118 HydrophobicContact CZ3-CB 3.73Å; W111-L118 HydrophobicContact CZ3-CD1 4.07Å; W111-L118 HydrophobicContact CZ3-CG 4.42Å; L118-A121 HydrophobicContact CD2-CB 4.47Å
119V95.1Very high91.1Very high35 Ų3565 Ų6521%0.21234%0.335CS..EExtended strand (participates in β ladder)trans-80.7-47.6177.8-176.50000110.4I88 L110 E112 R117 F157I88-V119 HydrophobicContact CD1-CG2 4.13Å; L110-V119 HydrophobicContact CB-CB 4.45Å; L110-V119 WeakPolarHBondContact O-CB 3.4Å; L110-V119 PolarHBondContact O-N 2.92Å; E112-V119 HydrophobicContact CB-CG2 3.64Å; R117-V119 PolarHBondContact O-N 3.29Å; V119-F157 HydrophobicContact CG1-CD2 3.72Å; V119-F157 HydrophobicContact CG1-CE2 4.29Å
120K94.8Very high90.8Very high62 Ų6264.8 Ų64.827%0.2733%0.333SS..EExtended strand (participates in β ladder)trans-156.6143.2-178.7-157.469169-175.90111.6L110 L122 F157 N158L110-K120 PolarHBondContact N-O 3.41Å; L110-K120 PolarHBondContact O-N 3.22Å; K120-L122 HydrophobicContact CG-CD1 4.35Å; K120-L122 HydrophobicContact CG-CD2 3.66Å; K120-L122 HydrophobicContact CG-CG 3.9Å; K120-F157 HydrophobicContact CB-CB 3.91Å; K120-F157 HydrophobicContact CB-CG 4.5Å; K120-F157 HydrophobicContact CD-CB 4.38Å; K120-F157 WeakPolarHBondContact CE-O 3.49Å; K120-F157 HydrophobicContact CG-CB 3.93Å; K120-N158 PolarHBondContact NZ-OD1 2.89Å
121A94.1Very high90.6Very high41 Ų4165.2 Ų65.234%0.33934%0.336SS..EExtended strand (participates in β ladder)trans-114.4131.8168.100000109.3A106 Q109 L118A106-A121 HydrophobicContact CB-CB 3.67Å; Q109-A121 HydrophobicContact CG-CB 4.38Å; L118-A121 HydrophobicContact CD2-CB 4.47Å
122L91.9Very high90.4Very high22 Ų2264 Ų6412%0.11533%0.332CS..EExtended strand (participates in β ladder)trans-135.4159.1-170.5-59.6169.9000110.3A106 N107 L108 L110 K120A106-L122 CarbonylContact C-O 3.57Å; N107-L122 PolarHBondContact N-O 3.33Å; L108-L122 HydrophobicContact CB-CB 4.34Å; L108-L122 HydrophobicContact CD2-CB 4.25Å; L108-L122 HydrophobicContact CD2-CD1 4.38Å; L108-L122 PolarHBondContact N-O 3Å; L108-L122 PolarHBondContact O-N 3.39Å; L110-L122 HydrophobicContact CD1-CD1 3.71Å; L110-L122 HydrophobicContact CD1-CG 4.39Å; K120-L122 HydrophobicContact CG-CD1 4.35Å; K120-L122 HydrophobicContact CG-CD2 3.66Å; K120-L122 HydrophobicContact CG-CG 3.9Å
123Y90.6Very high90.3Very high112 Ų11266.6 Ų66.644%0.43934%0.339SS..  trans-99.7125.3176.7-64.3-82.5000111.3Y95 G104 A106 R143Y95-Y123 HydrophobicContact CE2-CD1 4.02Å; G104-Y123 WeakPolarHBondContact O-CE1 3.28Å; A106-Y123 HydrophobicContact CB-CE1 4.26Å; Y123-R143 PolarHBondContact O-NH2 3.46Å
124Q88.5Confident90.2Very high19 Ų1967.1 Ų67.19%0.08934%0.34CS..  trans-141.294.9-179.8-167.859.424.200111.4W92 N107 L108 S129 W130W92-Q124 PolarHBondContact NE1-O 3.23Å; N107-Q124 PolarHBondContact ND2-O 2.98Å; N107-Q124 PolarHBondContact OD1-N 2.71Å; N107-Q124 PolarHBondContact OD1-O 2.8Å; L108-Q124 HydrophobicContact CB-CB 3.99Å; L108-Q124 HydrophobicContact CD2-CB 4.14Å; Q124-S129 PolarHBondContact NE2-O 3.04Å; Q124-W130 HydrophobicContact CG-CB 4.41Å
125K83.9Confident90.3Very high141 Ų14162.4 Ų62.461%0.61331%0.309SS*.  trans-76.6-34.2-175.4-64.8179.9-178.8172.40113.6Y95Y95-K125 HydrophobicContact CD1-CG 4.18Å; Y95-K125 HydrophobicContact CE1-CD 4.42Å; Y95-K125 HydrophobicContact CE1-CG 4.3Å; Y95-K125 HydrophobicContact CG-CG 4.3Å
126K82.6Confident90.1Very high135 Ų13561.5 Ų61.559%0.58730%0.297SS*.  trans-85125.3180-67.4-174.2179.3-176.70109.8
127V85.4Confident90Very high71 Ų7162.1 Ų62.143%0.4329%0.294SS..SBendtrans-71.6-38.3176.6-173.70000111.2L79 W92 S129 W130L79-V127 HydrophobicContact CD1-CG1 4.16Å; W92-V127 HydrophobicContact CH2-CG1 4.5Å; W92-V127 HydrophobicContact CH2-CG2 3.58Å; W92-V127 HydrophobicContact CZ2-CG2 3.69Å; V127-S129 PolarHBondContact O-N 3.5Å; V127-W130 VanDerWaalsContact O-CB 3.27Å; V127-W130 WeakPolarHBondContact O-CB 3.31Å; V127-W130 PolarHBondContact O-N 2.81Å
128D80Confident89.8Confident147 Ų14755.6 Ų55.679%0.78627%0.27SS*.THydrogen-bonded Turntrans-62.8-18.1-173.7-66.8-20.6000114.9
129S82.2Confident89.5Confident23 Ų2357.1 Ų57.116%0.16127%0.273CS..THydrogen-bonded Turntrans-132.744.3172.9-46.50000110.1Q124 V127Q124-S129 PolarHBondContact NE2-O 3.04Å; V127-S129 PolarHBondContact O-N 3.5Å
130W90.1Very high89.4Confident29 Ų2955.6 Ų55.611%0.1126%0.264CS..  trans-68.2-39.5-174.775.1-86.7000112.8L79 E81 V90 W92 L108 Q124 V127L79-W130 HydrophobicContact CB-CD2 4.33Å; L79-W130 HydrophobicContact CB-CH2 3.87Å; L79-W130 HydrophobicContact CB-CZ2 3.63Å; L79-W130 HydrophobicContact CB-CZ3 4.34Å; L79-W130 HydrophobicContact CD1-CD2 3.99Å; L79-W130 HydrophobicContact CD1-CG 3.99Å; L79-W130 HydrophobicContact CD1-CZ2 4.34Å; E81-W130 HydrophobicContact CB-CH2 3.9Å; E81-W130 HydrophobicContact CB-CZ2 4.12Å; V90-W130 HydrophobicContact CB-CZ3 4.33Å; V90-W130 HydrophobicContact CG1-CZ3 3.79Å; W92-W130 HydrophobicContact CB-CD2 3.99Å; W92-W130 HydrophobicContact CB-CE3 3.18Å; W92-W130 HydrophobicContact CB-CH2 4.41Å; W92-W130 HydrophobicContact CB-CZ3 3.42Å; W92-W130 VanDerWaalsContact CB-CZ3 3.42Å; W92-W130 HydrophobicContact CD2-CB 4.45Å; W92-W130 HydrophobicContact CG-CB 4.16Å; W92-W130 HydrophobicContact CG-CD2 4.19Å; W92-W130 AromaticContact CG-CE3 3.71Å; W92-W130 HydrophobicContact CG-CE3 3.71Å; W92-W130 HydrophobicContact CG-CG 4.43Å; W92-W130 HydrophobicContact CG-CZ3 4.41Å; L108-W130 HydrophobicContact CD1-CE3 3.77Å; L108-W130 HydrophobicContact CD1-CZ3 4.08Å; L108-W130 VanDerWaalsContact CD1-O 3.32Å; L108-W130 WeakPolarHBondContact CD1-O 3.41Å; L108-W130 WeakPolarHBondContact CD2-O 3.23Å; Q124-W130 HydrophobicContact CG-CB 4.41Å; V127-W130 VanDerWaalsContact O-CB 3.27Å; V127-W130 WeakPolarHBondContact O-CB 3.31Å; V127-W130 PolarHBondContact O-N 2.81Å
131C91.4Very high89.4Confident9 Ų952.7 Ų52.76%0.06125%0.251CS..SBendtrans-93.6133.3-175-167.60000111.2E81E81-C131 VanDerWaalsContact OE2-CB 3.28Å; E81-C131 WeakPolarHBondContact OE2-CB 3.33Å; E81-C131 PolarHBondContact OE2-SG 2.84Å
132P92.6Very high89.4Confident4 Ų450.8 Ų50.83%0.02624%0.235CC..  trans-60.3160.2164.7-17.131.1000111.3L108 W134 C141 R143L108-P132 HydrophobicContact CD2-CG 4.32Å; P132-W134 HydrophobicContact CB-CE3 4.48Å; P132-W134 HydrophobicContact CB-CH2 3.67Å; P132-W134 HydrophobicContact CB-CZ2 4.36Å; P132-W134 HydrophobicContact CB-CZ3 3.77Å; P132-W134 HydrophobicContact CG-CH2 3.93Å; P132-W134 HydrophobicContact CG-CZ3 4.34Å; P132-W134 WeakPolarHBondContact O-CZ3 3.09Å; P132-C141 WeakPolarHBondContact CB-SG 3.4Å; P132-R143 HydrophobicContact CB-CB 4.46Å
133R93Very high89.3Confident116 Ų11651.1 Ų51.144%0.43824%0.235SC..EExtended strand (participates in β ladder)trans-118.4134.1179.3-65.7-61.3-166.7-175.1-0.8110.2E81 C141 V142 F172 V174E81-R133 IonicContact OE1-NH1 2.58Å; E81-R133 PolarHBondContact OE1-NH1 2.82Å; E81-R133 IonicContact OE2-NH1 2.6Å; R133-C141 CarbonylContact O-C 3.6Å; R133-C141 WeakPolarHBondContact O-CA 3.37Å; R133-V142 PolarHBondContact N-O 2.74Å; R133-V142 PolarHBondContact O-N 2.97Å; R133-F172 HydrophobicContact CB-CE2 4.11Å; R133-F172 HydrophobicContact CB-CZ 4.46Å; R133-F172 HydrophobicContact CG-CE2 3.99Å; R133-F172 HydrophobicContact CG-CZ 4.03Å; R133-V174 HydrophobicContact CB-CB 4.13Å; R133-V174 HydrophobicContact CB-CG2 3.62Å; R133-V174 HydrophobicContact CG-CG2 4.44Å
134W92.2Very high89.2Confident24 Ų2446.6 Ų46.69%0.09122%0.22CC..EExtended strand (participates in β ladder)trans-106.7154.7179.3-74.3-102.7000111.5P84 I88 V90 L110 P132 V140 C141 N155 F157P84-W134 VanDerWaalsContact CD-CB 3.5Å; P84-W134 HydrophobicContact CG-CB 3.85Å; I88-W134 HydrophobicContact CG2-CZ2 4.34Å; V90-W134 HydrophobicContact CG2-CH2 3.41Å; V90-W134 VanDerWaalsContact CG2-CH2 3.41Å; V90-W134 HydrophobicContact CG2-CZ2 4.41Å; V90-W134 HydrophobicContact CG2-CZ3 3.85Å; L110-W134 HydrophobicContact CD2-CH2 4.44Å; L110-W134 HydrophobicContact CD2-CZ2 4.22Å; P132-W134 HydrophobicContact CB-CE3 4.48Å; P132-W134 HydrophobicContact CB-CH2 3.67Å; P132-W134 HydrophobicContact CB-CZ2 4.36Å; P132-W134 HydrophobicContact CB-CZ3 3.77Å; P132-W134 HydrophobicContact CG-CH2 3.93Å; P132-W134 HydrophobicContact CG-CZ3 4.34Å; P132-W134 WeakPolarHBondContact O-CZ3 3.09Å; W134-V140 WeakPolarHBondContact CA-O 3.42Å; W134-C141 HydrophobicContact CD2-CB 4.32Å; W134-C141 HydrophobicContact CG-CB 4.23Å; W134-C141 HydrophobicContact CZ2-CB 4.47Å; W134-C141 VanDerWaalsContact CZ2-SG 3.57Å; W134-N155 PolarHBondContact NE1-OD1 3.04Å; W134-F157 HydrophobicContact CZ2-CE1 4.31Å; W134-F157 AromaticContact CZ2-CZ 3.86Å; W134-F157 HydrophobicContact CZ2-CZ 3.86Å
135T91.8Very high89.2Confident1 Ų147.7 Ų47.71%0.00623%0.228CC..  trans-69158.8156.8520000110.6D137 E138 K139 V140 C181T135-D137 VanDerWaalsContact CB-OD1 3.23Å; T135-D137 WeakPolarHBondContact CB-OD1 3.26Å; T135-D137 PolarHBondContact O-N 3.28Å; T135-D137 PolarHBondContact OG1-OD1 3.21Å; T135-E138 PolarHBondContact O-N 2.72Å; T135-K139 PolarHBondContact OG1-N 2.84Å; T135-V140 HydrophobicContact CG2-CB 3.91Å; T135-V140 PolarHBondContact N-O 3.03Å; T135-V140 PolarHBondContact OG1-N 2.85Å; T135-V140 VanDerWaalsContact OG1-N 3.16Å; T135-V140 PolarHBondContact OG1-O 3.3Å; T135-C181 HydrophobicContact CG2-CB 3.52Å; T135-C181 WeakPolarHBondContact CG2-SG 3.42Å
136E88.7Confident89Confident52 Ų5247 Ų4724%0.24323%0.231CC..THydrogen-bonded Turntrans-59.5-30.2-179.2-59.8-62160.200113.5K45 E138 G177K45-E136 WeakPolarHBondContact CE-OE2 3.27Å; K45-E136 IonicContact NZ-OE1 2.84Å; K45-E136 PolarHBondContact NZ-OE1 2.9Å; K45-E136 IonicContact NZ-OE2 3.24Å; K45-E136 PolarHBondContact NZ-OE2 3.36Å; E136-E138 VanDerWaalsContact C-N 3.28Å; E136-G177 VanDerWaalsContact CG-CA 3.47Å
137D89.6Confident89Confident38 Ų3844 Ų4420%0.20322%0.221CC..THydrogen-bonded Turntrans-86.43.1178.265.4-5.9000113.4T135 K139T135-D137 VanDerWaalsContact CB-OD1 3.23Å; T135-D137 WeakPolarHBondContact CB-OD1 3.26Å; T135-D137 PolarHBondContact O-N 3.28Å; T135-D137 PolarHBondContact OG1-OD1 3.21Å; D137-K139 HydrophobicContact CB-CG 4.23Å; D137-K139 PolarHBondContact O-N 3.41Å; D137-K139 PolarHBondContact OD1-N 3.24Å; D137-K139 VanDerWaalsContact OD2-CD 3.26Å; D137-K139 WeakPolarHBondContact OD2-CD 3.46Å; D137-K139 WeakPolarHBondContact OD2-CG 3.45Å; D137-K139 IonicContact OD2-NZ 3.97Å
138E91Very high89.2Confident6 Ų643.2 Ų43.23%0.02821%0.213CC..SBendtrans549.3-174.2-73-172.9-173.600116.3S83 P84 L85 N86 N87 T135 E136 V140 N155S83-E138 VanDerWaalsContact C-OE1 3.25Å; S83-E138 WeakPolarHBondContact CB-OE1 3.32Å; S83-E138 VanDerWaalsContact OG-CD 3.27Å; S83-E138 PolarHBondContact OG-OE1 2.76Å; P84-E138 HydrophobicContact CB-CG 4.43Å; L85-E138 VanDerWaalsContact CA-OE1 3.27Å; L85-E138 WeakPolarHBondContact CA-OE1 3.39Å; L85-E138 HydrophobicContact CB-CG 4.1Å; L85-E138 WeakPolarHBondContact CB-OE1 3.47Å; L85-E138 HydrophobicContact CD1-CB 4.19Å; L85-E138 HydrophobicContact CD1-CG 4.22Å; L85-E138 HydrophobicContact CG-CB 4.48Å; L85-E138 HydrophobicContact CG-CG 3.97Å; L85-E138 PolarHBondContact N-OE1 3.4Å; N86-E138 PolarHBondContact N-OE1 2.98Å; N87-E138 WeakPolarHBondContact CB-OE2 3.14Å; N87-E138 PolarHBondContact ND2-OE2 2.85Å; T135-E138 PolarHBondContact O-N 2.72Å; E136-E138 VanDerWaalsContact C-N 3.28Å; E138-V140 VanDerWaalsContact C-N 3.28Å; E138-V140 PolarHBondContact O-N 3.45Å; E138-N155 PolarHBondContact OE2-ND2 2.84Å
139K91Very high89.7Confident113 Ų11336.2 Ų36.249%0.49118%0.175SC..SBendtrans-70.1-29.2-178.8-67.7-172.7-170.6167.30112.4T135 D137 E153 N154T135-K139 PolarHBondContact OG1-N 2.84Å; D137-K139 HydrophobicContact CB-CG 4.23Å; D137-K139 PolarHBondContact O-N 3.41Å; D137-K139 PolarHBondContact OD1-N 3.24Å; D137-K139 VanDerWaalsContact OD2-CD 3.26Å; D137-K139 WeakPolarHBondContact OD2-CD 3.46Å; D137-K139 WeakPolarHBondContact OD2-CG 3.45Å; D137-K139 IonicContact OD2-NZ 3.97Å; K139-E153 CarbonylContact O-C 3.51Å; K139-E153 VanDerWaalsContact O-CA 3.24Å; K139-E153 WeakPolarHBondContact O-CA 3.38Å; K139-N154 PolarHBondContact O-N 3.13Å
140V92.5Very high90.2Very high3 Ų336.1 Ų36.12%0.01817%0.172CC..EExtended strand (participates in β ladder)trans-125.9125.1179.9-179.40000109.6W134 T135 E138 V142 F151 F152 Y202W134-V140 WeakPolarHBondContact CA-O 3.42Å; T135-V140 HydrophobicContact CG2-CB 3.91Å; T135-V140 PolarHBondContact N-O 3.03Å; T135-V140 PolarHBondContact OG1-N 2.85Å; T135-V140 VanDerWaalsContact OG1-N 3.16Å; T135-V140 PolarHBondContact OG1-O 3.3Å; E138-V140 VanDerWaalsContact C-N 3.28Å; E138-V140 PolarHBondContact O-N 3.45Å; V140-V142 HydrophobicContact CG1-CG2 4.21Å; V140-F151 HydrophobicContact CG1-CD1 3.85Å; V140-F152 WeakPolarHBondContact CA-O 3.46Å; V140-Y202 HydrophobicContact CG2-CD1 4.1Å; V140-Y202 HydrophobicContact CG2-CE1 3.97Å
141C93.6Very high90.4Very high0 Ų034.7 Ų34.70%017%0.167CC..EExtended strand (participates in β ladder)trans-111.4132.3169.7-178.40000109.7P132 R133 W134 F151 F152 F157P132-C141 WeakPolarHBondContact CB-SG 3.4Å; R133-C141 CarbonylContact O-C 3.6Å; R133-C141 WeakPolarHBondContact O-CA 3.37Å; W134-C141 HydrophobicContact CD2-CB 4.32Å; W134-C141 HydrophobicContact CG-CB 4.23Å; W134-C141 HydrophobicContact CZ2-CB 4.47Å; W134-C141 VanDerWaalsContact CZ2-SG 3.57Å; C141-F151 CarbonylContact O-C 3.56Å; C141-F151 WeakPolarHBondContact O-CA 3.49Å; C141-F152 HydrophobicContact CB-CB 4.28Å; C141-F152 PolarHBondContact N-O 2.91Å; C141-F152 PolarHBondContact O-N 2.98Å; C141-F157 HydrophobicContact CB-CE1 4.01Å; C141-F157 HydrophobicContact CB-CZ 4.46Å
142V93.8Very high90.6Very high1 Ų134.8 Ų34.81%0.00617%0.166CC..EExtended strand (participates in β ladder)trans-113.7127.1-179.6-169.10000109.1R133 V140 L149 H150 F151 F172 V174 V183R133-V142 PolarHBondContact N-O 2.74Å; R133-V142 PolarHBondContact O-N 2.97Å; V140-V142 HydrophobicContact CG1-CG2 4.21Å; V142-L149 HydrophobicContact CG1-CB 4.12Å; V142-L149 HydrophobicContact CG1-CD1 4.33Å; V142-H150 WeakPolarHBondContact CA-O 3.26Å; V142-F151 HydrophobicContact CB-CE1 4.49Å; V142-F151 HydrophobicContact CG1-CD1 4.43Å; V142-F151 HydrophobicContact CG1-CE1 4.11Å; V142-F151 HydrophobicContact CG1-CZ 4.15Å; V142-F151 HydrophobicContact CG2-CD1 3.62Å; V142-F151 HydrophobicContact CG2-CE1 3.57Å; V142-F151 HydrophobicContact CG2-CZ 4.41Å; V142-F172 HydrophobicContact CB-CE2 4.05Å; V142-F172 HydrophobicContact CG1-CD2 4.13Å; V142-F172 HydrophobicContact CG1-CE2 3.8Å; V142-V174 HydrophobicContact CB-CG2 3.95Å; V142-V174 HydrophobicContact CG2-CG2 3.88Å; V142-V183 HydrophobicContact CG2-CG2 4.39Å
143R91.8Very high90.6Very high29 Ų2938.6 Ų38.611%0.10918%0.184CC..EExtended strand (participates in β ladder)trans-124.7135174.9-175.3-177.7169.3-152.7-4110.5Y123 P132 V145 L149 H150 F152Y123-R143 PolarHBondContact O-NH2 3.46Å; P132-R143 HydrophobicContact CB-CB 4.46Å; R143-V145 HydrophobicContact CG-CG2 4.19Å; R143-L149 WeakPolarHBondContact O-CA 3.41Å; R143-H150 PolarHBondContact N-O 2.88Å; R143-H150 PolarHBondContact O-N 2.84Å; R143-F152 HydrophobicContact CB-CE2 4Å
144S88.6Confident90.5Very high18 Ų1838.6 Ų38.613%0.12619%0.193CC..EExtended strand (participates in β ladder)trans-85.2127.1171.1-179.70000111.6F172S144-F172 VanDerWaalsContact CB-CE1 3.47Å
145V86.4Confident90.4Very high41 Ų4139 Ų3925%0.24820%0.196CC..EExtended strand (participates in β ladder)trans-133.295.9175.9-173.50000108.5R143 N147 E148R143-V145 HydrophobicContact CG-CG2 4.19Å; V145-N147 PolarHBondContact O-N 2.76Å; V145-E148 PolarHBondContact N-O 3.01Å; V145-E148 PolarHBondContact O-N 2.86Å
146N80.6Confident90.4Very high128 Ų12842.3 Ų42.368%0.68421%0.214SC*.THydrogen-bonded Turntrans53.6-98.4-179.3-62.4-38.9000113.6
147N83.3Confident90.6Very high71 Ų7140.3 Ų40.338%0.3821%0.205SC..THydrogen-bonded Turntrans-10512.8-176-65.1-36.1000112.6V145 M166 K168V145-N147 PolarHBondContact O-N 2.76Å; N147-M166 CarbonylContact C-O 3.58Å; N147-M166 CarbonylContact O-C 3.52Å; N147-M166 PolarHBondContact O-N 2.88Å; N147-K168 WeakPolarHBondContact OD1-CA 3.35Å; N147-K168 PolarHBondContact OD1-N 3.47Å
148E88.5Confident90.6Very high54 Ų5443.9 Ų43.925%0.25222%0.224SC..EExtended strand (participates in β ladder)trans-135.6142.9-177.1-59.3-171.5159.100110.4V145 H150 L164 H165V145-E148 PolarHBondContact N-O 3.01Å; V145-E148 PolarHBondContact O-N 2.86Å; E148-H150 IonicContact OE2-CD2 3.06Å; E148-H150 IonicContact OE2-CE1 2.88Å; E148-H150 IonicContact OE2-NE2 3.76Å; E148-H150 PolarHBondContact OE2-NE2 3.25Å; E148-L164 WeakPolarHBondContact CA-O 3.3Å; E148-H165 IonicContact OE1-CE1 2.84Å; E148-H165 IonicContact OE1-ND1 3.6Å; E148-H165 PolarHBondContact OE1-ND1 3.04Å
149L91.8Very high90.6Very high0 Ų047 Ų470%025%0.246CC..EExtended strand (participates in β ladder)trans-99.4122.1160-60-175.6000108.3V142 R143 F151 K163 L164 V169 F172 V183 I185V142-L149 HydrophobicContact CG1-CB 4.12Å; V142-L149 HydrophobicContact CG1-CD1 4.33Å; R143-L149 WeakPolarHBondContact O-CA 3.41Å; L149-F151 HydrophobicContact CB-CE2 3.89Å; L149-F151 HydrophobicContact CB-CZ 4.43Å; L149-K163 WeakPolarHBondContact O-CA 3.28Å; L149-L164 HydrophobicContact CB-CB 4.29Å; L149-L164 HydrophobicContact CD1-CD2 4.34Å; L149-L164 PolarHBondContact N-O 3.37Å; L149-L164 PolarHBondContact O-N 2.89Å; L149-V169 HydrophobicContact CD2-CG1 4.49Å; L149-F172 HydrophobicContact CD1-CB 3.97Å; L149-F172 HydrophobicContact CD1-CD2 4.31Å; L149-F172 HydrophobicContact CD1-CG 4.22Å; L149-F172 HydrophobicContact CD2-CB 4.21Å; L149-F172 HydrophobicContact CD2-CD1 4Å; L149-F172 HydrophobicContact CD2-CD2 4.35Å; L149-F172 HydrophobicContact CD2-CE1 4.5Å; L149-F172 HydrophobicContact CD2-CG 3.92Å; L149-V183 HydrophobicContact CD1-CG1 3.83Å; L149-I185 HydrophobicContact CD1-CG2 3.5Å
150H93Very high90.7Very high21 Ų2144.2 Ų44.210%0.09724%0.236CC..EExtended strand (participates in β ladder)trans-95.4127.2175.7-65.1174000108.8V142 R143 E148 F152 I160V142-H150 WeakPolarHBondContact CA-O 3.26Å; R143-H150 PolarHBondContact N-O 2.88Å; R143-H150 PolarHBondContact O-N 2.84Å; E148-H150 IonicContact OE2-CD2 3.06Å; E148-H150 IonicContact OE2-CE1 2.88Å; E148-H150 IonicContact OE2-NE2 3.76Å; E148-H150 PolarHBondContact OE2-NE2 3.25Å; H150-F152 HydrophobicContact CB-CE2 3.76Å; H150-F152 HydrophobicContact CB-CZ 3.9Å; H150-I160 HydrophobicContact CB-CD1 4.44Å; H150-I160 HydrophobicContact CB-CG1 4.43Å; H150-I160 HydrophobicContact CB-CG2 4Å; H150-I160 WeakPolarHBondContact ND1-CD1 3.39Å
151F94.1Very high90.7Very high0 Ų046.3 Ų46.30%025%0.253CS..EExtended strand (participates in β ladder)trans-104.5121.7176.6-64.3-103.3000108.4V140 C141 V142 L149 A161 N162 L164 V183 Y202 L205V140-F151 HydrophobicContact CG1-CD1 3.85Å; C141-F151 CarbonylContact O-C 3.56Å; C141-F151 WeakPolarHBondContact O-CA 3.49Å; V142-F151 HydrophobicContact CB-CE1 4.49Å; V142-F151 HydrophobicContact CG1-CD1 4.43Å; V142-F151 HydrophobicContact CG1-CE1 4.11Å; V142-F151 HydrophobicContact CG1-CZ 4.15Å; V142-F151 HydrophobicContact CG2-CD1 3.62Å; V142-F151 HydrophobicContact CG2-CE1 3.57Å; V142-F151 HydrophobicContact CG2-CZ 4.41Å; L149-F151 HydrophobicContact CB-CE2 3.89Å; L149-F151 HydrophobicContact CB-CZ 4.43Å; F151-A161 PolarHBondContact O-N 2.9Å; F151-N162 HydrophobicContact CB-CB 4.22Å; F151-N162 WeakPolarHBondContact CB-O 3.3Å; F151-N162 PolarHBondContact N-O 3.3Å; F151-N162 PolarHBondContact O-N 2.78Å; F151-L164 HydrophobicContact CE2-CB 3.91Å; F151-V183 HydrophobicContact CE1-CG2 3.84Å; F151-V183 HydrophobicContact CZ-CG2 4.07Å; F151-Y202 HydrophobicContact CB-CD2 4.2Å; F151-Y202 HydrophobicContact CB-CE2 3.56Å; F151-Y202 AromaticContact CD1-CD2 3.29Å; F151-Y202 HydrophobicContact CD1-CD2 3.29Å; F151-Y202 AromaticContact CD1-CE2 3.58Å; F151-Y202 HydrophobicContact CD1-CE2 3.58Å; F151-Y202 HydrophobicContact CD1-CG 4.23Å; F151-Y202 HydrophobicContact CD2-CE2 4.48Å; F151-Y202 AromaticContact CE1-CD2 3.7Å; F151-Y202 HydrophobicContact CE1-CD2 3.7Å; F151-Y202 HydrophobicContact CE1-CE2 4.4Å; F151-Y202 HydrophobicContact CE1-CG 4.47Å; F151-Y202 AromaticContact CG-CD2 3.77Å; F151-Y202 HydrophobicContact CG-CD2 3.77Å; F151-Y202 AromaticContact CG-CE2 3.63Å; F151-Y202 HydrophobicContact CG-CE2 3.63Å; F151-Y202 HydrophobicContact CZ-CD2 4.48Å; F151-L205 HydrophobicContact CD2-CD1 3.67Å; F151-L205 HydrophobicContact CE1-CD1 4.35Å; F151-L205 HydrophobicContact CE2-CD1 3.38Å; F151-L205 HydrophobicContact CE2-CD2 4.47Å; F151-L205 HydrophobicContact CG-CD1 4.29Å; F151-L205 HydrophobicContact CZ-CD1 3.76Å; F151-L205 HydrophobicContact CZ-CD2 4.16Å
152F94.3Very high90.7Very high10 Ų1048.7 Ų48.74%0.04427%0.266CS..EExtended strand (participates in β ladder)trans-107.1139.6175.3-57.5-84000108.6V140 C141 R143 H150 D156 F157 S159 I160V140-F152 WeakPolarHBondContact CA-O 3.46Å; C141-F152 HydrophobicContact CB-CB 4.28Å; C141-F152 PolarHBondContact N-O 2.91Å; C141-F152 PolarHBondContact O-N 2.98Å; R143-F152 HydrophobicContact CB-CE2 4Å; H150-F152 HydrophobicContact CB-CE2 3.76Å; H150-F152 HydrophobicContact CB-CZ 3.9Å; F152-D156 WeakPolarHBondContact CD1-O 3.5Å; F152-F157 HydrophobicContact CB-CD1 4.25Å; F152-F157 HydrophobicContact CB-CE1 4.4Å; F152-F157 HydrophobicContact CD1-CD1 4.31Å; F152-F157 HydrophobicContact CD2-CD1 4.13Å; F152-F157 HydrophobicContact CD2-CE1 4.48Å; F152-F157 AromaticContact CG-CD1 3.96Å; F152-F157 HydrophobicContact CG-CD1 3.96Å; F152-F157 HydrophobicContact CG-CE1 4.46Å; F152-S159 WeakPolarHBondContact CD1-O 3.49Å; F152-I160 HydrophobicContact CD1-CG1 4.49Å; F152-I160 HydrophobicContact CE1-CG1 3.69Å; F152-I160 HydrophobicContact CZ-CG1 4.06Å
153E93.4Very high90.6Very high84 Ų8453.4 Ų53.439%0.39329%0.287SS..EExtended strand (participates in β ladder)trans-106.4141.8178.3-74.3-175.416000110.9K139 N155 D156 A161 Y202K139-E153 CarbonylContact O-C 3.51Å; K139-E153 VanDerWaalsContact O-CA 3.24Å; K139-E153 WeakPolarHBondContact O-CA 3.38Å; E153-N155 PolarHBondContact O-N 2.88Å; E153-N155 VanDerWaalsContact O-N 3.14Å; E153-D156 PolarHBondContact O-N 2.81Å; E153-A161 HydrophobicContact CB-CB 4.14Å; E153-A161 HydrophobicContact CG-CB 3.6Å; E153-Y202 PolarHBondContact OE1-OH 3.23Å
154N90.2Very high90.5Very high117 Ų11752.1 Ų52.163%0.62628%0.282SS*.THydrogen-bonded Turntrans5336.1173.4-51.3-57.2000114.1K139 D156K139-N154 PolarHBondContact O-N 3.13Å; N154-D156 PolarHBondContact O-N 2.83Å; N154-D156 VanDerWaalsContact O-N 3.15Å
155N90.4Very high90.5Very high31 Ų3156.3 Ų56.317%0.16630%0.299CS..THydrogen-bonded Turntrans5722.4-176.5-63.8-41000114.7I88 W134 E138 E153 F157I88-N155 HydrophobicContact CD1-CB 4.48Å; I88-N155 HydrophobicContact CG1-CB 4.46Å; W134-N155 PolarHBondContact NE1-OD1 3.04Å; E138-N155 PolarHBondContact OE2-ND2 2.84Å; E153-N155 PolarHBondContact O-N 2.88Å; E153-N155 VanDerWaalsContact O-N 3.14Å; N155-F157 HydrophobicContact CB-CE2 3.91Å; N155-F157 HydrophobicContact CB-CZ 4.24Å; N155-F157 WeakPolarHBondContact O-CD2 3.32Å; N155-F157 VanDerWaalsContact O-CE2 3.23Å; N155-F157 WeakPolarHBondContact O-CE2 3.39Å; N155-F157 PolarHBondContact O-N 3.04Å
156D92.3Very high90.4Very high71 Ų7155.3 Ų55.338%0.3829%0.292SS..  trans-83100.1167.2-17916.5000110.6F152 E153 N154 N158F152-D156 WeakPolarHBondContact CD1-O 3.5Å; E153-D156 PolarHBondContact O-N 2.81Å; N154-D156 PolarHBondContact O-N 2.83Å; N154-D156 VanDerWaalsContact O-N 3.15Å; D156-N158 VanDerWaalsContact C-N 3.28Å; D156-N158 PolarHBondContact O-N 2.99Å; D156-N158 VanDerWaalsContact OD1-CB 3.31Å; D156-N158 WeakPolarHBondContact OD1-CB 3.48Å; D156-N158 PolarHBondContact OD1-N 3.36Å; D156-N158 PolarHBondContact OD1-ND2 3.25Å; D156-N158 VanDerWaalsContact OD1-ND2 3.11Å
157F91.7Very high90.5Very high10 Ų1055.7 Ų55.74%0.04429%0.29CS..  trans-87.810.6178.9-56.7-76.8000113.8L110 V119 K120 W134 C141 F152 N155L110-F157 HydrophobicContact CD2-CD1 3.87Å; L110-F157 HydrophobicContact CD2-CD2 3.82Å; L110-F157 HydrophobicContact CD2-CE1 3.54Å; L110-F157 HydrophobicContact CD2-CE2 3.48Å; L110-F157 VanDerWaalsContact CD2-CE2 3.48Å; L110-F157 HydrophobicContact CD2-CG 4.01Å; L110-F157 HydrophobicContact CD2-CZ 3.34Å; V119-F157 HydrophobicContact CG1-CD2 3.72Å; V119-F157 HydrophobicContact CG1-CE2 4.29Å; K120-F157 HydrophobicContact CB-CB 3.91Å; K120-F157 HydrophobicContact CB-CG 4.5Å; K120-F157 HydrophobicContact CD-CB 4.38Å; K120-F157 WeakPolarHBondContact CE-O 3.49Å; K120-F157 HydrophobicContact CG-CB 3.93Å; W134-F157 HydrophobicContact CZ2-CE1 4.31Å; W134-F157 AromaticContact CZ2-CZ 3.86Å; W134-F157 HydrophobicContact CZ2-CZ 3.86Å; C141-F157 HydrophobicContact CB-CE1 4.01Å; C141-F157 HydrophobicContact CB-CZ 4.46Å; F152-F157 HydrophobicContact CB-CD1 4.25Å; F152-F157 HydrophobicContact CB-CE1 4.4Å; F152-F157 HydrophobicContact CD1-CD1 4.31Å; F152-F157 HydrophobicContact CD2-CD1 4.13Å; F152-F157 HydrophobicContact CD2-CE1 4.48Å; F152-F157 AromaticContact CG-CD1 3.96Å; F152-F157 HydrophobicContact CG-CD1 3.96Å; F152-F157 HydrophobicContact CG-CE1 4.46Å; N155-F157 HydrophobicContact CB-CE2 3.91Å; N155-F157 HydrophobicContact CB-CZ 4.24Å; N155-F157 WeakPolarHBondContact O-CD2 3.32Å; N155-F157 VanDerWaalsContact O-CE2 3.23Å; N155-F157 WeakPolarHBondContact O-CE2 3.39Å; N155-F157 PolarHBondContact O-N 3.04Å
158N90.6Very high90.6Very high114 Ų11458 Ų5861%0.6130%0.296SS*.SBendtrans-93.8-32.2176-58.2-61.1000112.6K120 D156K120-N158 PolarHBondContact NZ-OD1 2.89Å; D156-N158 VanDerWaalsContact C-N 3.28Å; D156-N158 PolarHBondContact O-N 2.99Å; D156-N158 VanDerWaalsContact OD1-CB 3.31Å; D156-N158 WeakPolarHBondContact OD1-CB 3.48Å; D156-N158 PolarHBondContact OD1-N 3.36Å; D156-N158 PolarHBondContact OD1-ND2 3.25Å; D156-N158 VanDerWaalsContact OD1-ND2 3.11Å
159S91.8Very high90.6Very high70 Ų7055.8 Ų55.849%0.4929%0.287SS..SBendtrans-115.7133.7179.9-171.30000111.3F152F152-S159 WeakPolarHBondContact CD1-O 3.49Å
160I93.2Very high90.4Very high56 Ų5658.4 Ų58.429%0.28731%0.305SS..  trans-90.8109.8175.7-58165.4000107.6H150 F152 N162 K163H150-I160 HydrophobicContact CB-CD1 4.44Å; H150-I160 HydrophobicContact CB-CG1 4.43Å; H150-I160 HydrophobicContact CB-CG2 4Å; H150-I160 WeakPolarHBondContact ND1-CD1 3.39Å; F152-I160 HydrophobicContact CD1-CG1 4.49Å; F152-I160 HydrophobicContact CE1-CG1 3.69Å; F152-I160 HydrophobicContact CZ-CG1 4.06Å; I160-N162 VanDerWaalsContact CG2-O 3.24Å; I160-N162 WeakPolarHBondContact CG2-O 3.47Å; I160-K163 VanDerWaalsContact CD1-CE 3.45Å; I160-K163 HydrophobicContact CG2-CD 4.2Å; I160-K163 HydrophobicContact CG2-CG 3.52Å
161A92.4Very high90.2Very high46 Ų4659.7 Ų59.738%0.3831%0.313SS..  trans-69.4-39.9-176.800000112.4F151 E153F151-A161 PolarHBondContact O-N 2.9Å; E153-A161 HydrophobicContact CB-CB 4.14Å; E153-A161 HydrophobicContact CG-CB 3.6Å
162N92Very high90.2Very high51 Ų5160.5 Ų60.527%0.27332%0.316SS..EExtended strand (participates in β ladder)trans-150.1161.1175.2-149.7-24000111.3F151 I160 Y202 P203 L205F151-N162 HydrophobicContact CB-CB 4.22Å; F151-N162 WeakPolarHBondContact CB-O 3.3Å; F151-N162 PolarHBondContact N-O 3.3Å; F151-N162 PolarHBondContact O-N 2.78Å; I160-N162 VanDerWaalsContact CG2-O 3.24Å; I160-N162 WeakPolarHBondContact CG2-O 3.47Å; N162-Y202 HydrophobicContact CB-CE2 3.65Å; N162-P203 PolarHBondContact ND2-O 2.67Å; N162-P203 VanDerWaalsContact ND2-O 3.09Å; N162-L205 HydrophobicContact CB-CD1 4.19Å
163K91.7Very high90.1Very high99 Ų9960.8 Ų60.843%0.4332%0.321SS..EExtended strand (participates in β ladder)trans-135.7130.5-179.4-65-178.8-178.5-1790110.4L149 I160L149-K163 WeakPolarHBondContact O-CA 3.28Å; I160-K163 VanDerWaalsContact CD1-CE 3.45Å; I160-K163 HydrophobicContact CG2-CD 4.2Å; I160-K163 HydrophobicContact CG2-CG 3.52Å
164L90.6Very high90.1Very high2 Ų257.9 Ų57.91%0.0131%0.309CS..EExtended strand (participates in β ladder)trans-98.2103.8163.8-178.763.1000108.1E148 L149 F151 I185 Y200 L205E148-L164 WeakPolarHBondContact CA-O 3.3Å; L149-L164 HydrophobicContact CB-CB 4.29Å; L149-L164 HydrophobicContact CD1-CD2 4.34Å; L149-L164 PolarHBondContact N-O 3.37Å; L149-L164 PolarHBondContact O-N 2.89Å; F151-L164 HydrophobicContact CE2-CB 3.91Å; L164-I185 HydrophobicContact CD2-CD1 4.11Å; L164-I185 HydrophobicContact CD2-CG2 3.97Å; L164-Y200 HydrophobicContact CD1-CD1 4.46Å; L164-Y200 HydrophobicContact CD1-CE1 4.32Å; L164-Y200 HydrophobicContact CD1-CE2 4.45Å; L164-Y200 HydrophobicContact CD2-CD2 3.68Å; L164-Y200 HydrophobicContact CD2-CE2 3.91Å; L164-Y200 HydrophobicContact CD2-CG 4.15Å; L164-L205 HydrophobicContact CB-CD1 4.25Å; L164-L205 HydrophobicContact CD1-CB 4.17Å
165H88.7Confident90.1Very high107 Ų10752.5 Ų52.550%0.49528%0.28SS..EExtended strand (participates in β ladder)trans-84.6119174.3-172.387.8000109.7E148E148-H165 IonicContact OE1-CE1 2.84Å; E148-H165 IonicContact OE1-ND1 3.6Å; E148-H165 PolarHBondContact OE1-ND1 3.04Å
166M84.1Confident89.7Confident20 Ų2052.8 Ų52.810%0.09928%0.284CS..  trans-148.6122.4176.2-174.767.655.700109.5N147 K168 V169 I185 V187 F196 Y200 P208N147-M166 CarbonylContact C-O 3.58Å; N147-M166 CarbonylContact O-C 3.52Å; N147-M166 PolarHBondContact O-N 2.88Å; M166-K168 PolarHBondContact O-N 3.15Å; M166-V169 HydrophobicContact CB-CG2 3.62Å; M166-V169 HydrophobicContact CG-CG2 3.93Å; M166-V169 WeakPolarHBondContact O-CG2 3.49Å; M166-I185 HydrophobicContact CB-CD1 4.06Å; M166-I185 HydrophobicContact CE-CD1 4.3Å; M166-I185 HydrophobicContact CG-CD1 3.8Å; M166-V187 HydrophobicContact CG-CG2 3.66Å; M166-F196 HydrophobicContact SD-CE2 4.44Å; M166-F196 HydrophobicContact SD-CZ 4.41Å; M166-Y200 WeakPolarHBondContact CE-OH 3.43Å; M166-P208 HydrophobicContact CE-CG 4.39Å
167Q83.4Confident88.7Confident135 Ų13550.5 Ų50.563%0.63128%0.278SS*.THydrogen-bonded Turntrans-63.9133.8-178.3-67.4-171.7-16.600111V169 V187Q167-V169 PolarHBondContact O-N 3.13Å; Q167-V187 WeakPolarHBondContact O-CG1 3.4Å
168K85.1Confident87.5Confident119 Ų11953.4 Ų53.452%0.51730%0.304SS..THydrogen-bonded Turntrans63.634.3173.3-52.6175.4-178.3173.90114.6N147 M166 S170 V187 P188N147-K168 WeakPolarHBondContact OD1-CA 3.35Å; N147-K168 PolarHBondContact OD1-N 3.47Å; M166-K168 PolarHBondContact O-N 3.15Å; K168-S170 PolarHBondContact O-N 3.03Å; K168-V187 HydrophobicContact CB-CG1 4.37Å; K168-P188 WeakPolarHBondContact O-CD 3.35Å
169V87.3Confident86.5Confident8 Ų851.9 Ų51.95%0.04829%0.293CS..  trans-57118.2168.5175.80000108.9L149 M166 Q167 I185 V187L149-V169 HydrophobicContact CD2-CG1 4.49Å; M166-V169 HydrophobicContact CB-CG2 3.62Å; M166-V169 HydrophobicContact CG-CG2 3.93Å; M166-V169 WeakPolarHBondContact O-CG2 3.49Å; Q167-V169 PolarHBondContact O-N 3.13Å; V169-I185 HydrophobicContact CG2-CD1 4.38Å; V169-V187 HydrophobicContact CG2-CG2 4.25Å
170S87.8Confident86Confident56 Ų5651 Ų5139%0.39229%0.286SS..  trans-94.6-35.4180-177.60000111.4K168 Y186K168-S170 PolarHBondContact O-N 3.03Å; S170-Y186 PolarHBondContact N-O 2.92Å
171D89.8Confident85.7Confident48 Ų4848.4 Ų48.426%0.25727%0.272SS..EExtended strand (participates in β ladder)trans-153.8160.3-178-162.211.6000111.2Y186 M225D171-Y186 HydrophobicContact CB-CD1 4.45Å; D171-Y186 PolarHBondContact O-N 3.09Å; D171-M225 HydrophobicContact CB-CE 3.95Å
172F92.8Very high85.8Confident17 Ų1747.6 Ų47.68%0.07526%0.26CS..EExtended strand (participates in β ladder)trans-148.8153.4177.678-73.5000111.8R133 V142 S144 L149 V174 V183 A184 I185R133-F172 HydrophobicContact CB-CE2 4.11Å; R133-F172 HydrophobicContact CB-CZ 4.46Å; R133-F172 HydrophobicContact CG-CE2 3.99Å; R133-F172 HydrophobicContact CG-CZ 4.03Å; V142-F172 HydrophobicContact CB-CE2 4.05Å; V142-F172 HydrophobicContact CG1-CD2 4.13Å; V142-F172 HydrophobicContact CG1-CE2 3.8Å; S144-F172 VanDerWaalsContact CB-CE1 3.47Å; L149-F172 HydrophobicContact CD1-CB 3.97Å; L149-F172 HydrophobicContact CD1-CD2 4.31Å; L149-F172 HydrophobicContact CD1-CG 4.22Å; L149-F172 HydrophobicContact CD2-CB 4.21Å; L149-F172 HydrophobicContact CD2-CD1 4Å; L149-F172 HydrophobicContact CD2-CD2 4.35Å; L149-F172 HydrophobicContact CD2-CE1 4.5Å; L149-F172 HydrophobicContact CD2-CG 3.92Å; F172-V174 HydrophobicContact CD2-CG2 4.09Å; F172-V174 HydrophobicContact CE2-CG2 3.9Å; F172-V183 HydrophobicContact CD2-CG1 4.39Å; F172-A184 CarbonylContact C-O 3.56Å; F172-A184 WeakPolarHBondContact CA-O 3.31Å; F172-A184 WeakPolarHBondContact CB-O 3.38Å; F172-I185 HydrophobicContact CB-CG2 4.4Å
173A93.1Very high85.9Confident16 Ų1645.2 Ų45.213%0.13225%0.247CC..EExtended strand (participates in β ladder)trans-136.5128.417400000110.5A184 M225 W227A173-A184 HydrophobicContact CB-CB 4.44Å; A173-A184 PolarHBondContact N-O 2.92Å; A173-A184 PolarHBondContact O-N 3.1Å; A173-M225 HydrophobicContact CB-CB 3.85Å; A173-M225 HydrophobicContact CB-CE 4.42Å; A173-W227 PolarHBondContact O-NE1 2.91Å
174V92.8Very high86Confident23 Ų2340.5 Ų40.514%0.13923%0.227CC..EExtended strand (participates in β ladder)trans-90.4139.6175-176.50000109.1R133 V142 F172 V183R133-V174 HydrophobicContact CB-CB 4.13Å; R133-V174 HydrophobicContact CB-CG2 3.62Å; R133-V174 HydrophobicContact CG-CG2 4.44Å; V142-V174 HydrophobicContact CB-CG2 3.95Å; V142-V174 HydrophobicContact CG2-CG2 3.88Å; F172-V174 HydrophobicContact CD2-CG2 4.09Å; F172-V174 HydrophobicContact CE2-CG2 3.9Å; V174-V183 HydrophobicContact CG2-CG2 4.26Å
175S91.4Very high86.1Confident3 Ų340.4 Ų40.42%0.02123%0.226CC..PPolyproline II helixtrans-71.2140.5-179.270.50000112.4K182S175-K182 WeakPolarHBondContact CB-O 3.48Å; S175-K182 PolarHBondContact N-O 3.36Å; S175-K182 PolarHBondContact OG-N 3.06Å; S175-K182 VanDerWaalsContact OG-N 3.12Å; S175-K182 PolarHBondContact OG-O 3.18Å
176S80.4Confident86.4Confident37 Ų3735.4 Ų35.426%0.25920%0.203SC..SBendtrans-73.5131.317154.30000111.2N228 Q229 A231S176-N228 PolarHBondContact OG-O 3.45Å; S176-Q229 PolarHBondContact OG-O 3.26Å; S176-Q229 VanDerWaalsContact OG-O 3.1Å; S176-A231 WeakPolarHBondContact O-CB 3.31Å
177G72.1Confident86.8Confident24 Ų2434.9 Ų34.925%0.24720%0.201CC..SBendtrans129.4172.7179.200000113.9E136E136-G177 VanDerWaalsContact CG-CA 3.47Å
178A67.5Low87.1Confident71 Ų7130.4 Ų30.459%0.58718%0.184SC*.SBendtrans-76.8177.2175.200000111.8
179Q68.1Low87.2Confident81 Ų8126.2 Ų26.238%0.37917%0.174SC..SBendtrans-51.5145.3-179.9-65.2-67.1-23.500113.4C181Q179-C181 VanDerWaalsContact OE1-N 3.16Å
180P81.7Confident87.1Confident53 Ų5329 Ų2934%0.34419%0.194SC..SBendcis-80.3133.72.531.7-34.4000112.6K182 Q201P180-K182 PolarHBondContact O-N 2.8Å; P180-Q201 HydrophobicContact CB-CG 3.71Å; P180-Q201 HydrophobicContact CG-CG 4.2Å
181C88.2Confident86.8Confident0 Ų036.9 Ų36.90%022%0.221CC..PPolyproline II helixtrans-63.3129.2176.4175.80000111T135 Q179 Y202T135-C181 HydrophobicContact CG2-CB 3.52Å; T135-C181 WeakPolarHBondContact CG2-SG 3.42Å; Q179-C181 VanDerWaalsContact OE1-N 3.16Å; C181-Y202 PolarHBondContact O-N 3.3Å
182K92.7Very high86.3Confident29 Ų2938.3 Ų38.313%0.12625%0.248CC..EExtended strand (participates in β ladder)trans-114.6142.2176.1-48.2-174.6-165.979.60110.1S175 P180 Y200 L212 W227 A231 V260S175-K182 WeakPolarHBondContact CB-O 3.48Å; S175-K182 PolarHBondContact N-O 3.36Å; S175-K182 PolarHBondContact OG-N 3.06Å; S175-K182 VanDerWaalsContact OG-N 3.12Å; S175-K182 PolarHBondContact OG-O 3.18Å; P180-K182 PolarHBondContact O-N 2.8Å; K182-Y200 CarbonylContact C-O 3.55Å; K182-Y200 VanDerWaalsContact CA-O 3.26Å; K182-Y200 WeakPolarHBondContact CA-O 3.44Å; K182-L212 HydrophobicContact CD-CD1 4.19Å; K182-W227 HydrophobicContact CB-CH2 3.74Å; K182-W227 HydrophobicContact CB-CZ2 4.22Å; K182-W227 HydrophobicContact CB-CZ3 4.42Å; K182-W227 HydrophobicContact CD-CH2 4.46Å; K182-A231 PolarHBondContact NZ-O 3.08Å; K182-V260 HydrophobicContact CD-CB 4.19Å; K182-V260 HydrophobicContact CD-CG1 3.41Å; K182-V260 VanDerWaalsContact CD-CG1 3.41Å
183V93.9Very high86.1Confident1 Ų139.6 Ų39.61%0.00626%0.262CS..EExtended strand (participates in β ladder)trans-129.6126-178.9-177.50000109.6V142 L149 F151 F172 V174 I185 L199 Y200V142-V183 HydrophobicContact CG2-CG2 4.39Å; L149-V183 HydrophobicContact CD1-CG1 3.83Å; F151-V183 HydrophobicContact CE1-CG2 3.84Å; F151-V183 HydrophobicContact CZ-CG2 4.07Å; F172-V183 HydrophobicContact CD2-CG1 4.39Å; V174-V183 HydrophobicContact CG2-CG2 4.26Å; V183-I185 HydrophobicContact CG1-CG2 4.06Å; V183-L199 WeakPolarHBondContact O-CA 3.49Å; V183-Y200 PolarHBondContact N-O 3.03Å; V183-Y200 PolarHBondContact O-N 3.04Å
184A94.6Very high86Confident0 Ų041 Ų410%027%0.269CS..EExtended strand (participates in β ladder)trans-91.9131.916800000108.7F172 A173 V197 R198 L199 M225 W227F172-A184 CarbonylContact C-O 3.56Å; F172-A184 WeakPolarHBondContact CA-O 3.31Å; F172-A184 WeakPolarHBondContact CB-O 3.38Å; A173-A184 HydrophobicContact CB-CB 4.44Å; A173-A184 PolarHBondContact N-O 2.92Å; A173-A184 PolarHBondContact O-N 3.1Å; A184-V197 HydrophobicContact CB-CG1 4.47Å; A184-R198 CarbonylContact C-O 3.57Å; A184-R198 WeakPolarHBondContact CA-O 3.28Å; A184-L199 HydrophobicContact CB-CD2 3.49Å; A184-L199 VanDerWaalsContact CB-CD2 3.49Å; A184-M225 HydrophobicContact CB-SD 3.86Å; A184-W227 HydrophobicContact CB-CZ2 3.85Å
185I93.8Very high86Confident0 Ų040.3 Ų40.30%027%0.265CS..EExtended strand (participates in β ladder)trans-120.1143.9173.170171.6000110.3L149 L164 M166 V169 F172 V183 V187 V197 R198 Y200L149-I185 HydrophobicContact CD1-CG2 3.5Å; L164-I185 HydrophobicContact CD2-CD1 4.11Å; L164-I185 HydrophobicContact CD2-CG2 3.97Å; M166-I185 HydrophobicContact CB-CD1 4.06Å; M166-I185 HydrophobicContact CE-CD1 4.3Å; M166-I185 HydrophobicContact CG-CD1 3.8Å; V169-I185 HydrophobicContact CG2-CD1 4.38Å; F172-I185 HydrophobicContact CB-CG2 4.4Å; V183-I185 HydrophobicContact CG1-CG2 4.06Å; I185-V187 HydrophobicContact CD1-CG2 4.47Å; I185-V197 VanDerWaalsContact O-CA 3.25Å; I185-V197 WeakPolarHBondContact O-CA 3.2Å; I185-R198 HydrophobicContact CG1-CB 4.1Å; I185-R198 PolarHBondContact N-O 3.14Å; I185-R198 PolarHBondContact O-N 2.93Å; I185-Y200 HydrophobicContact CD1-CD2 4.31Å; I185-Y200 HydrophobicContact CD1-CE2 3.53Å; I185-Y200 HydrophobicContact CG1-CD2 4.34Å; I185-Y200 HydrophobicContact CG1-CE2 3.81Å
186Y93.6Very high86.1Confident2 Ų241.9 Ų41.91%0.00827%0.272CS..EExtended strand (participates in β ladder)trans-110.7128.7171.7173.4-121.4000111.2S170 D171 P188 V197 F217 A220 V223S170-Y186 PolarHBondContact N-O 2.92Å; D171-Y186 HydrophobicContact CB-CD1 4.45Å; D171-Y186 PolarHBondContact O-N 3.09Å; Y186-P188 HydrophobicContact CE1-CB 4.12Å; Y186-V197 HydrophobicContact CD2-CG2 3.85Å; Y186-F217 HydrophobicContact CD2-CZ 4.38Å; Y186-F217 HydrophobicContact CE2-CE2 4.18Å; Y186-F217 HydrophobicContact CE2-CZ 4.07Å; Y186-A220 PolarHBondContact OH-O 2.9Å; Y186-V223 HydrophobicContact CD1-CB 4.39Å; Y186-V223 HydrophobicContact CD1-CG1 4.25Å; Y186-V223 HydrophobicContact CD1-CG2 3.36Å; Y186-V223 HydrophobicContact CD2-CB 4.27Å; Y186-V223 HydrophobicContact CD2-CG1 3.63Å; Y186-V223 HydrophobicContact CD2-CG2 3.63Å; Y186-V223 HydrophobicContact CE1-CG1 4.02Å; Y186-V223 HydrophobicContact CE1-CG2 3.91Å; Y186-V223 HydrophobicContact CE2-CB 4.38Å; Y186-V223 HydrophobicContact CE2-CG1 3.35Å; Y186-V223 HydrophobicContact CE2-CG2 4.12Å; Y186-V223 HydrophobicContact CG-CB 4.27Å; Y186-V223 HydrophobicContact CG-CG1 4.08Å; Y186-V223 HydrophobicContact CG-CG2 3.2Å
187V92.1Very high86.8Confident9 Ų940.1 Ų40.16%0.05526%0.26CS..EExtended strand (participates in β ladder)trans-122.5118.3171.8-176.90000108.6M166 Q167 K168 V169 I185 S195 F196M166-V187 HydrophobicContact CG-CG2 3.66Å; Q167-V187 WeakPolarHBondContact O-CG1 3.4Å; K168-V187 HydrophobicContact CB-CG1 4.37Å; V169-V187 HydrophobicContact CG2-CG2 4.25Å; I185-V187 HydrophobicContact CD1-CG2 4.47Å; V187-S195 WeakPolarHBondContact O-CA 3.31Å; V187-F196 HydrophobicContact CB-CD1 4.44Å; V187-F196 HydrophobicContact CB-CD2 4Å; V187-F196 HydrophobicContact CB-CE1 3.94Å; V187-F196 HydrophobicContact CB-CE2 3.45Å; V187-F196 VanDerWaalsContact CB-CE2 3.45Å; V187-F196 HydrophobicContact CB-CG 4.48Å; V187-F196 HydrophobicContact CB-CZ 3.42Å; V187-F196 VanDerWaalsContact CB-CZ 3.42Å; V187-F196 HydrophobicContact CG1-CE1 3.96Å; V187-F196 HydrophobicContact CG1-CE2 4.18Å; V187-F196 HydrophobicContact CG1-CZ 3.61Å; V187-F196 HydrophobicContact CG2-CD2 4.24Å; V187-F196 HydrophobicContact CG2-CE2 3.44Å; V187-F196 VanDerWaalsContact CG2-CE2 3.44Å; V187-F196 HydrophobicContact CG2-CZ 3.72Å; V187-F196 PolarHBondContact N-O 3.14Å; V187-F196 PolarHBondContact O-N 2.86Å
188P91Very high87.9Confident42 Ų4240.9 Ų40.927%0.27326%0.255SS..PPolyproline II helixtrans-71.1140.5176.429.7-31000110.5K168 Y186K168-P188 WeakPolarHBondContact O-CD 3.35Å; Y186-P188 HydrophobicContact CE1-CB 4.12Å
189G87.6Confident89.2Confident30 Ų3037.5 Ų37.531%0.30923%0.227SC..PPolyproline II helixtrans-68.1140175.400000111.8P194 S195G189-P194 WeakPolarHBondContact CA-O 3.24Å; G189-S195 PolarHBondContact N-OG 2.95Å
190S85Confident90.4Very high67 Ų6733.7 Ų33.747%0.46921%0.209SC..PPolyproline II helixtrans-80.7166.5167.350.60000111.3G192 A193S190-G192 PolarHBondContact O-N 3.15Å; S190-A193 WeakPolarHBondContact O-CA 3.39Å; S190-A193 WeakPolarHBondContact O-CB 3.41Å; S190-A193 PolarHBondContact O-N 2.84Å
191K80.9Confident91Very high221 Ų22134.1 Ų34.196%0.96121%0.207SC*.THydrogen-bonded Turntrans-35.2102.4-179.6-65.4-178.1-179.7-179.50113.6
192G79.4Confident91.1Very high79 Ų7934.8 Ų34.881%0.81421%0.209SC*.THydrogen-bonded Turntrans90-14178.100000116.2S190S190-G192 PolarHBondContact O-N 3.15Å
193A88.1Confident90.9Very high44 Ų4437.2 Ų37.236%0.36423%0.228SC..SBendtrans-87.8148.3173.900000111.4S190S190-A193 WeakPolarHBondContact O-CA 3.39Å; S190-A193 WeakPolarHBondContact O-CB 3.41Å; S190-A193 PolarHBondContact O-N 2.84Å
194P91.4Very high90.7Very high46 Ų4641.3 Ų41.330%0.29925%0.252SS..PPolyproline II helixtrans-70.8150.7175.729.8-34.5000111.5G189 F218G189-P194 WeakPolarHBondContact CA-O 3.24Å; P194-F218 HydrophobicContact CB-CD1 4.17Å; P194-F218 HydrophobicContact CB-CE1 3.84Å; P194-F218 HydrophobicContact CB-CE2 4.19Å; P194-F218 HydrophobicContact CB-CZ 3.85Å; P194-F218 HydrophobicContact CG-CE1 4.42Å; P194-F218 HydrophobicContact CG-CZ 4.28Å
195S93.4Very high90.3Very high7 Ų742 Ų425%0.04926%0.256CS..EExtended strand (participates in β ladder)trans-76.1156.8161-57.30000109.4V187 G189 S216 F217V187-S195 WeakPolarHBondContact O-CA 3.31Å; G189-S195 PolarHBondContact N-OG 2.95Å; S195-S216 CarbonylContact O-C 3.48Å; S195-S216 VanDerWaalsContact O-CA 3.3Å; S195-S216 WeakPolarHBondContact O-CA 3.06Å; S195-F217 PolarHBondContact N-O 3.21Å; S195-F217 PolarHBondContact O-N 3.33Å; S195-F217 VanDerWaalsContact O-O 3.06Å
196F93.2Very high89.5Confident37 Ų3745.2 Ų45.216%0.16229%0.289CS..EExtended strand (participates in β ladder)trans-144.6150.2175.755.3-94.1000113.1M166 V187 R198 K215M166-F196 HydrophobicContact SD-CE2 4.44Å; M166-F196 HydrophobicContact SD-CZ 4.41Å; V187-F196 HydrophobicContact CB-CD1 4.44Å; V187-F196 HydrophobicContact CB-CD2 4Å; V187-F196 HydrophobicContact CB-CE1 3.94Å; V187-F196 HydrophobicContact CB-CE2 3.45Å; V187-F196 VanDerWaalsContact CB-CE2 3.45Å; V187-F196 HydrophobicContact CB-CG 4.48Å; V187-F196 HydrophobicContact CB-CZ 3.42Å; V187-F196 VanDerWaalsContact CB-CZ 3.42Å; V187-F196 HydrophobicContact CG1-CE1 3.96Å; V187-F196 HydrophobicContact CG1-CE2 4.18Å; V187-F196 HydrophobicContact CG1-CZ 3.61Å; V187-F196 HydrophobicContact CG2-CD2 4.24Å; V187-F196 HydrophobicContact CG2-CE2 3.44Å; V187-F196 VanDerWaalsContact CG2-CE2 3.44Å; V187-F196 HydrophobicContact CG2-CZ 3.72Å; V187-F196 PolarHBondContact N-O 3.14Å; V187-F196 PolarHBondContact O-N 2.86Å; F196-R198 HydrophobicContact CD2-CG 3.93Å; F196-R198 HydrophobicContact CE2-CG 4.44Å; F196-K215 CarbonylContact C-O 3.58Å; F196-K215 VanDerWaalsContact CA-O 3.23Å; F196-K215 WeakPolarHBondContact CA-O 3.02Å
197V95.3Very high88.6Confident0 Ų046 Ų460%030%0.298CS..EExtended strand (participates in β ladder)trans-112.2132.7163.7175.40000108.9A184 I185 Y186 K215 F217 M225 V236 L258A184-V197 HydrophobicContact CB-CG1 4.47Å; I185-V197 VanDerWaalsContact O-CA 3.25Å; I185-V197 WeakPolarHBondContact O-CA 3.2Å; Y186-V197 HydrophobicContact CD2-CG2 3.85Å; V197-K215 PolarHBondContact N-O 3.37Å; V197-K215 PolarHBondContact O-N 2.98Å; V197-F217 HydrophobicContact CB-CE1 4.42Å; V197-F217 HydrophobicContact CG2-CE1 3.97Å; V197-F217 HydrophobicContact CG2-CZ 3.92Å; V197-M225 HydrophobicContact CG1-SD 4.07Å; V197-M225 HydrophobicContact CG2-SD 4.35Å; V197-V236 HydrophobicContact CB-CG2 4.34Å; V197-V236 HydrophobicContact CG1-CG2 4.06Å; V197-V236 HydrophobicContact CG2-CG1 3.81Å; V197-V236 HydrophobicContact CG2-CG2 4.2Å; V197-L258 HydrophobicContact CB-CD2 4.13Å; V197-L258 HydrophobicContact CG1-CD2 3.85Å
198R94.5Very high87.9Confident40 Ų4049.5 Ų49.515%0.15132%0.321CS..EExtended strand (participates in β ladder)trans-124.9139.7177.8-74178.1-174.31662.3111A184 I185 F196 Y200 A211 A213 N214A184-R198 CarbonylContact C-O 3.57Å; A184-R198 WeakPolarHBondContact CA-O 3.28Å; I185-R198 HydrophobicContact CG1-CB 4.1Å; I185-R198 PolarHBondContact N-O 3.14Å; I185-R198 PolarHBondContact O-N 2.93Å; F196-R198 HydrophobicContact CD2-CG 3.93Å; F196-R198 HydrophobicContact CE2-CG 4.44Å; R198-Y200 HydrophobicContact CB-CD2 4.35Å; R198-Y200 HydrophobicContact CB-CE2 3.57Å; R198-Y200 VanDerWaalsContact CD-OH 3.28Å; R198-Y200 WeakPolarHBondContact CD-OH 3.19Å; R198-A211 HydrophobicContact CB-CB 4.35Å; R198-A211 HydrophobicContact CG-CB 4.43Å; R198-A213 WeakPolarHBondContact CA-O 3.25Å; R198-N214 HydrophobicContact CG-CB 4.03Å; R198-N214 WeakPolarHBondContact CG-OD1 3.2Å; R198-N214 PolarHBondContact NE-OD1 2.78Å
199L94.8Very high87.4Confident0 Ų051.3 Ų51.30%035%0.348CS..EExtended strand (participates in β ladder)trans-100132.2173.1-64.3-173.5000109.7V183 A184 A211 L212 A213 W227 V234 L258 V260V183-L199 WeakPolarHBondContact O-CA 3.49Å; A184-L199 HydrophobicContact CB-CD2 3.49Å; A184-L199 VanDerWaalsContact CB-CD2 3.49Å; L199-A211 CarbonylContact O-C 3.46Å; L199-A211 WeakPolarHBondContact O-CA 3.48Å; L199-L212 HydrophobicContact CB-CB 4.17Å; L199-L212 PolarHBondContact O-N 2.95Å; L199-A213 HydrophobicContact CB-CB 4.17Å; L199-A213 HydrophobicContact CD1-CB 3.89Å; L199-A213 HydrophobicContact CG-CB 4.12Å; L199-A213 PolarHBondContact N-O 3.24Å; L199-W227 HydrophobicContact CD1-CH2 4.24Å; L199-W227 HydrophobicContact CD2-CH2 3.58Å; L199-W227 HydrophobicContact CD2-CZ2 3.65Å; L199-W227 HydrophobicContact CG-CH2 4.47Å; L199-V234 HydrophobicContact CD1-CG1 4.26Å; L199-V234 HydrophobicContact CD2-CG1 3.77Å; L199-V234 HydrophobicContact CG-CG1 4.42Å; L199-L258 HydrophobicContact CD1-CB 4.1Å; L199-L258 HydrophobicContact CG-CD2 4.34Å; L199-V260 HydrophobicContact CD1-CG1 4.48Å
200Y93.9Very high87.4Confident0 Ų051 Ų510%034%0.342CS..EExtended strand (participates in β ladder)trans-124.1157.1173.3-64.3-84.4000110.6L164 M166 K182 V183 I185 R198 L205 G207 A210 A211L164-Y200 HydrophobicContact CD1-CD1 4.46Å; L164-Y200 HydrophobicContact CD1-CE1 4.32Å; L164-Y200 HydrophobicContact CD1-CE2 4.45Å; L164-Y200 HydrophobicContact CD2-CD2 3.68Å; L164-Y200 HydrophobicContact CD2-CE2 3.91Å; L164-Y200 HydrophobicContact CD2-CG 4.15Å; M166-Y200 WeakPolarHBondContact CE-OH 3.43Å; K182-Y200 CarbonylContact C-O 3.55Å; K182-Y200 VanDerWaalsContact CA-O 3.26Å; K182-Y200 WeakPolarHBondContact CA-O 3.44Å; V183-Y200 PolarHBondContact N-O 3.03Å; V183-Y200 PolarHBondContact O-N 3.04Å; I185-Y200 HydrophobicContact CD1-CD2 4.31Å; I185-Y200 HydrophobicContact CD1-CE2 3.53Å; I185-Y200 HydrophobicContact CG1-CD2 4.34Å; I185-Y200 HydrophobicContact CG1-CE2 3.81Å; R198-Y200 HydrophobicContact CB-CD2 4.35Å; R198-Y200 HydrophobicContact CB-CE2 3.57Å; R198-Y200 VanDerWaalsContact CD-OH 3.28Å; R198-Y200 WeakPolarHBondContact CD-OH 3.19Å; Y200-L205 HydrophobicContact CG-CD2 4.49Å; Y200-G207 VanDerWaalsContact CE1-O 3.32Å; Y200-G207 WeakPolarHBondContact CE1-O 3.37Å; Y200-A210 HydrophobicContact CD1-CB 4.49Å; Y200-A211 HydrophobicContact CD1-CB 4.29Å; Y200-A211 HydrophobicContact CE1-CB 3.8Å
201Q92.9Very high87.7Confident63 Ų6349 Ų4929%0.29433%0.329SS..EExtended strand (participates in β ladder)trans-114.4124.9171.9-170.1173.9-70.800109.5P180 V204 L212P180-Q201 HydrophobicContact CB-CG 3.71Å; P180-Q201 HydrophobicContact CG-CG 4.2Å; Q201-V204 CarbonylContact O-C 3.57Å; Q201-V204 VanDerWaalsContact O-C 3.28Å; Q201-V204 WeakPolarHBondContact O-CA 3.43Å; Q201-V204 PolarHBondContact O-N 2.76Å; Q201-L212 HydrophobicContact CB-CD1 3.99Å; Q201-L212 HydrophobicContact CB-CD2 4.36Å; Q201-L212 HydrophobicContact CB-CG 4.26Å
202Y90.7Very high88.3Confident14 Ų1441.2 Ų41.26%0.05530%0.298CS..THydrogen-bonded Turntrans-71.3139171.9-174.1-92.2000110.6V140 F151 E153 N162 C181 L205V140-Y202 HydrophobicContact CG2-CD1 4.1Å; V140-Y202 HydrophobicContact CG2-CE1 3.97Å; F151-Y202 HydrophobicContact CB-CD2 4.2Å; F151-Y202 HydrophobicContact CB-CE2 3.56Å; F151-Y202 AromaticContact CD1-CD2 3.29Å; F151-Y202 HydrophobicContact CD1-CD2 3.29Å; F151-Y202 AromaticContact CD1-CE2 3.58Å; F151-Y202 HydrophobicContact CD1-CE2 3.58Å; F151-Y202 HydrophobicContact CD1-CG 4.23Å; F151-Y202 HydrophobicContact CD2-CE2 4.48Å; F151-Y202 AromaticContact CE1-CD2 3.7Å; F151-Y202 HydrophobicContact CE1-CD2 3.7Å; F151-Y202 HydrophobicContact CE1-CE2 4.4Å; F151-Y202 HydrophobicContact CE1-CG 4.47Å; F151-Y202 AromaticContact CG-CD2 3.77Å; F151-Y202 HydrophobicContact CG-CD2 3.77Å; F151-Y202 AromaticContact CG-CE2 3.63Å; F151-Y202 HydrophobicContact CG-CE2 3.63Å; F151-Y202 HydrophobicContact CZ-CD2 4.48Å; E153-Y202 PolarHBondContact OE1-OH 3.23Å; N162-Y202 HydrophobicContact CB-CE2 3.65Å; C181-Y202 PolarHBondContact O-N 3.3Å; Y202-L205 HydrophobicContact CD2-CD1 3.99Å; Y202-L205 HydrophobicContact CE2-CD1 4.37Å
203P89.6Confident89Confident79 Ų7937.7 Ų37.751%0.51326%0.261SS..THydrogen-bonded Turncis-90.96.41.836.1-36.1000114.5N162 L205N162-P203 PolarHBondContact ND2-O 2.67Å; N162-P203 VanDerWaalsContact ND2-O 3.09Å; P203-L205 VanDerWaalsContact C-N 3.32Å; P203-L205 PolarHBondContact O-N 2.94Å
204V88.8Confident89.3Confident87 Ų8739 Ų3953%0.52726%0.262SS..BIsolated β-bridgetrans-7780.6-176.7-169.60000110.5Q201 A210Q201-V204 CarbonylContact O-C 3.57Å; Q201-V204 VanDerWaalsContact O-C 3.28Å; Q201-V204 WeakPolarHBondContact O-CA 3.43Å; Q201-V204 PolarHBondContact O-N 2.76Å; V204-A210 HydrophobicContact CG1-CB 4.19Å
205L86.4Confident89.4Confident16 Ų1638.6 Ų38.68%0.08426%0.256CS..  trans-110.925-174.3-59.6177.5000113.3F151 N162 L164 Y200 Y202 P203 G207F151-L205 HydrophobicContact CD2-CD1 3.67Å; F151-L205 HydrophobicContact CE1-CD1 4.35Å; F151-L205 HydrophobicContact CE2-CD1 3.38Å; F151-L205 HydrophobicContact CE2-CD2 4.47Å; F151-L205 HydrophobicContact CG-CD1 4.29Å; F151-L205 HydrophobicContact CZ-CD1 3.76Å; F151-L205 HydrophobicContact CZ-CD2 4.16Å; N162-L205 HydrophobicContact CB-CD1 4.19Å; L164-L205 HydrophobicContact CB-CD1 4.25Å; L164-L205 HydrophobicContact CD1-CB 4.17Å; Y200-L205 HydrophobicContact CG-CD2 4.49Å; Y202-L205 HydrophobicContact CD2-CD1 3.99Å; Y202-L205 HydrophobicContact CE2-CD1 4.37Å; P203-L205 VanDerWaalsContact C-N 3.32Å; P203-L205 PolarHBondContact O-N 2.94Å; L205-G207 PolarHBondContact O-N 2.9Å
206G76.8Confident89.4Confident66 Ų6641.5 Ų41.568%0.6828%0.276SS*.  trans-68.549.4-17200000116.2
207G75.8Confident89.4Confident20 Ų2040.3 Ų40.321%0.20627%0.271CS..SBendtrans70-165.3178.300000113.8Y200 L205 G209 A210Y200-G207 VanDerWaalsContact CE1-O 3.32Å; Y200-G207 WeakPolarHBondContact CE1-O 3.37Å; L205-G207 PolarHBondContact O-N 2.9Å; G207-G209 PolarHBondContact O-N 3.15Å; G207-G209 VanDerWaalsContact O-N 3.08Å; G207-A210 PolarHBondContact O-N 2.83Å
208P75.6Confident88.9Confident81 Ų8146.7 Ų46.753%0.52630%0.298SS..G310 helixtrans-54.6-31.5-172.7-27.334.6000115.6M166 A210 A211M166-P208 HydrophobicContact CE-CG 4.39Å; P208-A210 VanDerWaalsContact C-N 3.28Å; P208-A210 PolarHBondContact O-N 2.83Å; P208-A211 WeakPolarHBondContact O-CB 3.28Å; P208-A211 PolarHBondContact O-N 2.83Å
209G80.6Confident88.2Confident81 Ų8150.4 Ų50.484%0.83532%0.316SS*.G310 helixtrans-73.9-16.1-179.300000114.3G207 A211G207-G209 PolarHBondContact O-N 3.15Å; G207-G209 VanDerWaalsContact O-N 3.08Å; G209-A211 VanDerWaalsContact C-N 3.33Å
210A88Confident87.6Confident23 Ų2350.8 Ų50.819%0.1932%0.319CS..G310 helixtrans-88.40.7175.800000113.3Y200 V204 G207 P208 L212Y200-A210 HydrophobicContact CD1-CB 4.49Å; V204-A210 HydrophobicContact CG1-CB 4.19Å; G207-A210 PolarHBondContact O-N 2.83Å; P208-A210 VanDerWaalsContact C-N 3.28Å; P208-A210 PolarHBondContact O-N 2.83Å; A210-L212 PolarHBondContact O-N 2.9Å
211A91.2Very high87.2Confident25 Ų2555.2 Ų55.221%0.20734%0.342CS..  trans-69.9126.8-179.400000110.7R198 L199 Y200 P208 G209 A213R198-A211 HydrophobicContact CB-CB 4.35Å; R198-A211 HydrophobicContact CG-CB 4.43Å; L199-A211 CarbonylContact O-C 3.46Å; L199-A211 WeakPolarHBondContact O-CA 3.48Å; Y200-A211 HydrophobicContact CD1-CB 4.29Å; Y200-A211 HydrophobicContact CE1-CB 3.8Å; P208-A211 WeakPolarHBondContact O-CB 3.28Å; P208-A211 PolarHBondContact O-N 2.83Å; G209-A211 VanDerWaalsContact C-N 3.33Å; A211-A213 VanDerWaalsContact C-N 3.29Å; A211-A213 PolarHBondContact O-N 2.81Å
212L93.2Very high86.9Confident57 Ų5758.3 Ų58.330%0.29836%0.355SS..SBendtrans-63-38.6173-64.2-178000111.7K182 L199 Q201 A210 V260 G262K182-L212 HydrophobicContact CD-CD1 4.19Å; L199-L212 HydrophobicContact CB-CB 4.17Å; L199-L212 PolarHBondContact O-N 2.95Å; Q201-L212 HydrophobicContact CB-CD1 3.99Å; Q201-L212 HydrophobicContact CB-CD2 4.36Å; Q201-L212 HydrophobicContact CB-CG 4.26Å; A210-L212 PolarHBondContact O-N 2.9Å; L212-V260 HydrophobicContact CD1-CB 4.43Å; L212-G262 VanDerWaalsContact O-CA 3.31Å; L212-G262 WeakPolarHBondContact O-CA 3.2Å
213A94Very high87Confident5 Ų557.9 Ų57.94%0.04135%0.354CS..EExtended strand (participates in β ladder)trans-147.9148.7178.100000109.9R198 L199 A211 G259 T264R198-A213 WeakPolarHBondContact CA-O 3.25Å; L199-A213 HydrophobicContact CB-CB 4.17Å; L199-A213 HydrophobicContact CD1-CB 3.89Å; L199-A213 HydrophobicContact CG-CB 4.12Å; L199-A213 PolarHBondContact N-O 3.24Å; A211-A213 VanDerWaalsContact C-N 3.29Å; A211-A213 PolarHBondContact O-N 2.81Å; A213-G259 WeakPolarHBondContact CB-O 3.43Å; A213-T264 HydrophobicContact CB-CG2 4.44Å
214N94.4Very high87.3Confident71 Ų7159.2 Ų59.238%0.3836%0.355SS..EExtended strand (participates in β ladder)trans-139.7121.3177.7171.376.6000109.5R198R198-N214 HydrophobicContact CG-CB 4.03Å; R198-N214 WeakPolarHBondContact CG-OD1 3.2Å; R198-N214 PolarHBondContact NE-OD1 2.78Å
215K94.9Very high87.6Confident39 Ų3956.1 Ų56.117%0.1734%0.335CS..EExtended strand (participates in β ladder)trans-119.9118.5174.6-173.254.9157.8-165.40109.9F196 V197 F217 H256 L258 T264F196-K215 CarbonylContact C-O 3.58Å; F196-K215 VanDerWaalsContact CA-O 3.23Å; F196-K215 WeakPolarHBondContact CA-O 3.02Å; V197-K215 PolarHBondContact N-O 3.37Å; V197-K215 PolarHBondContact O-N 2.98Å; K215-F217 HydrophobicContact CG-CD1 4.23Å; K215-H256 HydrophobicContact CG-CB 4.32Å; K215-L258 HydrophobicContact CB-CD1 3.7Å; K215-L258 HydrophobicContact CB-CD2 3.71Å; K215-L258 HydrophobicContact CB-CG 3.7Å; K215-L258 HydrophobicContact CG-CD1 4.06Å; K215-L258 HydrophobicContact CG-CG 4.48Å; K215-T264 HydrophobicContact CB-CG2 4.21Å; K215-T264 PolarHBondContact NZ-OG1 3.39Å
216S93.9Very high88Confident67 Ų6757.8 Ų57.847%0.46934%0.342SS..EExtended strand (participates in β ladder)trans-97.7142.3171.456.10000111.3S195S195-S216 CarbonylContact O-C 3.48Å; S195-S216 VanDerWaalsContact O-CA 3.3Å; S195-S216 WeakPolarHBondContact O-CA 3.06Å
217F91.9Very high88.9Confident13 Ų1356 Ų566%0.05732%0.315CS..EExtended strand (participates in β ladder)trans-150.5153.8175.146-87.4000110.2Y186 S195 V197 K215 A220 V223 V236 A238 H256Y186-F217 HydrophobicContact CD2-CZ 4.38Å; Y186-F217 HydrophobicContact CE2-CE2 4.18Å; Y186-F217 HydrophobicContact CE2-CZ 4.07Å; S195-F217 PolarHBondContact N-O 3.21Å; S195-F217 PolarHBondContact O-N 3.33Å; S195-F217 VanDerWaalsContact O-O 3.06Å; V197-F217 HydrophobicContact CB-CE1 4.42Å; V197-F217 HydrophobicContact CG2-CE1 3.97Å; V197-F217 HydrophobicContact CG2-CZ 3.92Å; K215-F217 HydrophobicContact CG-CD1 4.23Å; F217-A220 HydrophobicContact CD2-CB 3.69Å; F217-A220 HydrophobicContact CE2-CB 3.39Å; F217-V223 HydrophobicContact CE2-CG1 3.91Å; F217-V223 HydrophobicContact CZ-CG1 3.86Å; F217-V236 HydrophobicContact CE1-CG1 4.39Å; F217-V236 HydrophobicContact CZ-CG1 4.14Å; F217-A238 HydrophobicContact CD2-CB 3.89Å; F217-A238 HydrophobicContact CE2-CB 3.58Å; F217-A238 HydrophobicContact CZ-CB 4.31Å; F217-H256 AromaticContact CG-NE2 3.71Å
218F86.1Confident89.8Confident133 Ų13355.1 Ų55.158%0.58331%0.305SS*.SBendtrans-96.3167.7174.1-67-85.9000109.6P194P194-F218 HydrophobicContact CB-CD1 4.17Å; P194-F218 HydrophobicContact CB-CE1 3.84Å; P194-F218 HydrophobicContact CB-CE2 4.19Å; P194-F218 HydrophobicContact CB-CZ 3.85Å; P194-F218 HydrophobicContact CG-CE1 4.42Å; P194-F218 HydrophobicContact CG-CZ 4.28Å
219K78.5Confident90.4Very high119 Ų11955.5 Ų55.552%0.51730%0.3SS..SBendtrans57.370175.2-60.7175.9171.3-175.70111.9T240 E252K219-T240 HydrophobicContact CB-CG2 3.59Å; K219-T240 WeakPolarHBondContact O-CG2 3.42Å; K219-E252 WeakPolarHBondContact CD-OE2 3.32Å; K219-E252 IonicContact NZ-OE2 2.99Å; K219-E252 PolarHBondContact NZ-OE2 2.82Å
220A82.8Confident90.9Very high8 Ų858.1 Ų58.17%0.06629%0.288CS..  trans-143.8110.1173.100000110.1Y186 F217 V223 A238Y186-A220 PolarHBondContact OH-O 2.9Å; F217-A220 HydrophobicContact CD2-CB 3.69Å; F217-A220 HydrophobicContact CE2-CB 3.39Å; A220-V223 HydrophobicContact CB-CG1 4.41Å; A220-A238 HydrophobicContact CB-CB 3.96Å
221D85Confident91.1Very high92 Ų9257.3 Ų57.349%0.49228%0.281SS..SBendtrans-87.6-39.8173.7-59.6-36.6000109.4S239 T240 E241D221-S239 PolarHBondContact N-O 2.86Å; D221-T240 VanDerWaalsContact OD2-CA 3.27Å; D221-T240 WeakPolarHBondContact OD2-CA 3.34Å; D221-E241 HydrophobicContact CB-CG 4.47Å; D221-E241 PolarHBondContact OD2-N 2.98Å
222K87.8Confident91.2Very high129 Ų12958 Ų5856%0.56128%0.284SS*.EExtended strand (participates in β ladder)trans-132.3151176.2-172.2171.4-177.5171.80110.6S239K222-S239 PolarHBondContact N-O 2.9Å; K222-S239 PolarHBondContact O-N 2.93Å; K222-S239 PolarHBondContact O-OG 2.96Å
223V92.9Very high91.3Very high5 Ų555.2 Ų55.23%0.0327%0.27CS..EExtended strand (participates in β ladder)trans-128153.1168.6-57.70000110.4Y186 F217 A220 M225 V236 T237 A238Y186-V223 HydrophobicContact CD1-CB 4.39Å; Y186-V223 HydrophobicContact CD1-CG1 4.25Å; Y186-V223 HydrophobicContact CD1-CG2 3.36Å; Y186-V223 HydrophobicContact CD2-CB 4.27Å; Y186-V223 HydrophobicContact CD2-CG1 3.63Å; Y186-V223 HydrophobicContact CD2-CG2 3.63Å; Y186-V223 HydrophobicContact CE1-CG1 4.02Å; Y186-V223 HydrophobicContact CE1-CG2 3.91Å; Y186-V223 HydrophobicContact CE2-CB 4.38Å; Y186-V223 HydrophobicContact CE2-CG1 3.35Å; Y186-V223 HydrophobicContact CE2-CG2 4.12Å; Y186-V223 HydrophobicContact CG-CB 4.27Å; Y186-V223 HydrophobicContact CG-CG1 4.08Å; Y186-V223 HydrophobicContact CG-CG2 3.2Å; F217-V223 HydrophobicContact CE2-CG1 3.91Å; F217-V223 HydrophobicContact CZ-CG1 3.86Å; A220-V223 HydrophobicContact CB-CG1 4.41Å; V223-M225 HydrophobicContact CG2-CE 4.36Å; V223-M225 HydrophobicContact CG2-CG 4.35Å; V223-V236 HydrophobicContact CB-CG1 4.12Å; V223-V236 HydrophobicContact CG1-CG1 4.25Å; V223-T237 CarbonylContact C-O 3.44Å; V223-T237 VanDerWaalsContact CA-O 3.25Å; V223-T237 WeakPolarHBondContact CA-O 3.35Å; V223-A238 HydrophobicContact CG1-CB 4.16Å
224M93.9Very high91.4Very high107 Ų10755 Ų5553%0.52727%0.268SS..EExtended strand (participates in β ladder)trans-120127.1166.6-175.2-179.8-67.200108.1Q226 V236 T237M224-Q226 HydrophobicContact CG-CG 4.41Å; M224-V236 WeakPolarHBondContact O-CA 3.16Å; M224-T237 PolarHBondContact N-O 2.81Å; M224-T237 PolarHBondContact O-N 2.85Å
225M95.6Very high91.6Very high22 Ų2251.7 Ų51.711%0.10825%0.25CS..EExtended strand (participates in β ladder)trans-111.2123.6-178.5-65.7177.5-77.600109.7D171 A173 A184 V197 V223 V234 L235 V236D171-M225 HydrophobicContact CB-CE 3.95Å; A173-M225 HydrophobicContact CB-CB 3.85Å; A173-M225 HydrophobicContact CB-CE 4.42Å; A184-M225 HydrophobicContact CB-SD 3.86Å; V197-M225 HydrophobicContact CG1-SD 4.07Å; V197-M225 HydrophobicContact CG2-SD 4.35Å; V223-M225 HydrophobicContact CG2-CE 4.36Å; V223-M225 HydrophobicContact CG2-CG 4.35Å; M225-V234 HydrophobicContact CB-CG2 4.07Å; M225-L235 CarbonylContact C-O 3.49Å; M225-L235 WeakPolarHBondContact CA-O 3.36Å; M225-V236 HydrophobicContact CG-CG2 4.22Å
226Q95.8Very high91.7Very high50 Ų5049.8 Ų49.823%0.23424%0.242CC..EExtended strand (participates in β ladder)trans-125.3111.2-178.9-66.2178.7-20.500110.2M224 V234 L235 V278 W280M224-Q226 HydrophobicContact CG-CG 4.41Å; Q226-V234 WeakPolarHBondContact O-CA 3.41Å; Q226-L235 PolarHBondContact N-O 3.03Å; Q226-L235 PolarHBondContact O-N 3.03Å; Q226-V278 PolarHBondContact NE2-O 3.46Å; Q226-V278 PolarHBondContact OE1-O 3.25Å; Q226-W280 PolarHBondContact O-NE1 2.99Å
227W95.2Very high91.8Very high30 Ų3047.4 Ų47.411%0.11423%0.225CC..EExtended strand (participates in β ladder)trans-75.4145172.5-73.997.7000110.9A173 K182 A184 L199 V234 V260A173-W227 PolarHBondContact O-NE1 2.91Å; K182-W227 HydrophobicContact CB-CH2 3.74Å; K182-W227 HydrophobicContact CB-CZ2 4.22Å; K182-W227 HydrophobicContact CB-CZ3 4.42Å; K182-W227 HydrophobicContact CD-CH2 4.46Å; A184-W227 HydrophobicContact CB-CZ2 3.85Å; L199-W227 HydrophobicContact CD1-CH2 4.24Å; L199-W227 HydrophobicContact CD2-CH2 3.58Å; L199-W227 HydrophobicContact CD2-CZ2 3.65Å; L199-W227 HydrophobicContact CG-CH2 4.47Å; W227-V234 HydrophobicContact CD2-CB 4.07Å; W227-V234 HydrophobicContact CD2-CG2 4.34Å; W227-V234 HydrophobicContact CE3-CB 4.18Å; W227-V234 HydrophobicContact CG-CG2 4.37Å; W227-V260 HydrophobicContact CH2-CG1 4.48Å; W227-V260 HydrophobicContact CZ3-CG1 4.05Å
228N93.9Very high91.9Very high0 Ų046.9 Ų46.90%022%0.223CC..  trans-74.2160164.469.8-7.7000110.8S176 K230 A231 S232 A233 W280 S284S176-N228 PolarHBondContact OG-O 3.45Å; N228-K230 PolarHBondContact O-N 2.78Å; N228-A231 PolarHBondContact O-N 3.08Å; N228-A231 WeakPolarHBondContact OD1-CA 3.45Å; N228-A231 PolarHBondContact OD1-N 2.94Å; N228-S232 PolarHBondContact ND2-OG 3.1Å; N228-S232 PolarHBondContact OD1-N 3.48Å; N228-A233 PolarHBondContact N-O 3.04Å; N228-A233 PolarHBondContact OD1-N 2.9Å; N228-A233 VanDerWaalsContact OD1-N 3.13Å; N228-A233 PolarHBondContact OD1-O 3.41Å; N228-W280 HydrophobicContact CB-CD2 3.68Å; N228-W280 HydrophobicContact CB-CE3 3.86Å; N228-W280 HydrophobicContact CB-CG 4.14Å; N228-W280 HydrophobicContact CB-CH2 4.21Å; N228-W280 HydrophobicContact CB-CZ2 3.99Å; N228-W280 HydrophobicContact CB-CZ3 4.14Å; N228-S284 PolarHBondContact ND2-O 3.21Å
229Q89.8Confident92.1Very high90 Ų9041.9 Ų41.942%0.42121%0.205SC..THydrogen-bonded Turntrans-59-35.2-175.8-66.7-176.3-14.400112.7S176 A231 P282 S284S176-Q229 PolarHBondContact OG-O 3.26Å; S176-Q229 VanDerWaalsContact OG-O 3.1Å; Q229-A231 VanDerWaalsContact C-N 3.27Å; Q229-A231 PolarHBondContact O-N 3.05Å; Q229-P282 PolarHBondContact OE1-O 2.69Å; Q229-S284 WeakPolarHBondContact CB-OG 3.29Å; Q229-S284 PolarHBondContact N-OG 2.85Å; Q229-S284 VanDerWaalsContact N-OG 3.13Å
230K90.7Very high92.5Very high136 Ų13636.9 Ų36.959%0.59118%0.184SC*.THydrogen-bonded Turntrans-77.4-1.3177.8-69.2-177.2-178.3164.80115N228 S232 N283 S284N228-K230 PolarHBondContact O-N 2.78Å; K230-S232 PolarHBondContact O-N 3.49Å; K230-S232 VanDerWaalsContact O-N 3.15Å; K230-N283 PolarHBondContact NZ-O 3.38Å; K230-S284 PolarHBondContact N-OG 3.46Å
231A91.9Very high92.1Very high5 Ų543.7 Ų43.74%0.04121%0.214CC..SBendtrans50.736.9-17500000114.4S176 K182 N228 Q229S176-A231 WeakPolarHBondContact O-CB 3.31Å; K182-A231 PolarHBondContact NZ-O 3.08Å; N228-A231 PolarHBondContact O-N 3.08Å; N228-A231 WeakPolarHBondContact OD1-CA 3.45Å; N228-A231 PolarHBondContact OD1-N 2.94Å; Q229-A231 VanDerWaalsContact C-N 3.27Å; Q229-A231 PolarHBondContact O-N 3.05Å
232S93.2Very high91.3Very high39 Ų3944.2 Ų44.227%0.27322%0.221SC..SBendtrans-100.2-18.117666.60000113.1N228 K230 V260N228-S232 PolarHBondContact ND2-OG 3.1Å; N228-S232 PolarHBondContact OD1-N 3.48Å; K230-S232 PolarHBondContact O-N 3.49Å; K230-S232 VanDerWaalsContact O-N 3.15Å; S232-V260 WeakPolarHBondContact O-CG1 3.39Å; S232-V260 WeakPolarHBondContact O-CG2 3.46Å; S232-V260 PolarHBondContact O-N 3.05Å
233A95.1Very high90.3Very high0 Ų038.9 Ų38.90%020%0.198CC..EExtended strand (participates in β ladder)trans-153.6157.5177.500000112.5N228 Y257 L258 W280N228-A233 PolarHBondContact N-O 3.04Å; N228-A233 PolarHBondContact OD1-N 2.9Å; N228-A233 VanDerWaalsContact OD1-N 3.13Å; N228-A233 PolarHBondContact OD1-O 3.41Å; A233-Y257 HydrophobicContact CB-CD2 4.32Å; A233-Y257 HydrophobicContact CB-CE2 3.42Å; A233-Y257 VanDerWaalsContact CB-CE2 3.42Å; A233-Y257 WeakPolarHBondContact CB-OH 3.45Å; A233-L258 CarbonylContact C-O 3.47Å; A233-L258 VanDerWaalsContact CA-O 3.31Å; A233-L258 WeakPolarHBondContact CA-O 3.46Å; A233-W280 HydrophobicContact CB-CH2 3.97Å; A233-W280 HydrophobicContact CB-CZ2 4.15Å
234V96.6Very high89Confident0 Ų048.5 Ų48.50%024%0.24CC..EExtended strand (participates in β ladder)trans-124.4135.9172.268.10000110L199 M225 Q226 W227 V236 L258L199-V234 HydrophobicContact CD1-CG1 4.26Å; L199-V234 HydrophobicContact CD2-CG1 3.77Å; L199-V234 HydrophobicContact CG-CG1 4.42Å; M225-V234 HydrophobicContact CB-CG2 4.07Å; Q226-V234 WeakPolarHBondContact O-CA 3.41Å; W227-V234 HydrophobicContact CD2-CB 4.07Å; W227-V234 HydrophobicContact CD2-CG2 4.34Å; W227-V234 HydrophobicContact CE3-CB 4.18Å; W227-V234 HydrophobicContact CG-CG2 4.37Å; V234-V236 HydrophobicContact CG1-CG2 4.31Å; V234-V236 HydrophobicContact CG2-CG2 4.48Å; V234-L258 HydrophobicContact CG1-CB 3.74Å; V234-L258 PolarHBondContact N-O 2.87Å; V234-L258 PolarHBondContact O-N 3.36Å
235L97.4Very high87.7Confident1 Ų147.6 Ų47.61%0.00524%0.244CC..EExtended strand (participates in β ladder)trans-93.8136.2166.2-73167.9000109.1M225 Q226 L255 H256 Y257 V278 W280 F287M225-L235 CarbonylContact C-O 3.49Å; M225-L235 WeakPolarHBondContact CA-O 3.36Å; Q226-L235 PolarHBondContact N-O 3.03Å; Q226-L235 PolarHBondContact O-N 3.03Å; L235-L255 HydrophobicContact CB-CD1 4.2Å; L235-L255 HydrophobicContact CD2-CD1 4.18Å; L235-L255 HydrophobicContact CD2-CG 4.42Å; L235-H256 WeakPolarHBondContact CA-O 3.18Å; L235-Y257 HydrophobicContact CD2-CD2 4.19Å; L235-V278 HydrophobicContact CD1-CG1 3.58Å; L235-W280 HydrophobicContact CB-CZ2 4.32Å; L235-W280 HydrophobicContact CD1-CD2 3.91Å; L235-W280 VanDerWaalsContact CD1-CE2 3.42Å; L235-W280 HydrophobicContact CD1-CE3 4.47Å; L235-W280 HydrophobicContact CD1-CG 4.41Å; L235-W280 HydrophobicContact CD1-CH2 4.2Å; L235-W280 HydrophobicContact CD1-CZ2 3.65Å; L235-W280 HydrophobicContact CD2-CZ2 4.33Å; L235-W280 HydrophobicContact CG-CH2 4.11Å; L235-W280 HydrophobicContact CG-CZ2 3.41Å; L235-W280 VanDerWaalsContact CG-CZ2 3.41Å; L235-F287 HydrophobicContact CD1-CB 3.8Å; L235-F287 HydrophobicContact CD1-CD1 4.07Å; L235-F287 HydrophobicContact CD1-CD2 3.71Å; L235-F287 HydrophobicContact CD1-CE2 4.28Å; L235-F287 HydrophobicContact CD1-CG 3.59Å; L235-F287 HydrophobicContact CD2-CD1 4.43Å; L235-F287 HydrophobicContact CD2-CD2 4.31Å; L235-F287 HydrophobicContact CD2-CE1 4.16Å; L235-F287 HydrophobicContact CD2-CE2 4.04Å; L235-F287 HydrophobicContact CD2-CZ 3.96Å
236V97.3Very high86.2Confident0 Ų049.8 Ų49.80%027%0.272CS..EExtended strand (participates in β ladder)trans-123.6107.2-179-177.80000108.4V197 F217 V223 M224 M225 V234 H256 L258V197-V236 HydrophobicContact CB-CG2 4.34Å; V197-V236 HydrophobicContact CG1-CG2 4.06Å; V197-V236 HydrophobicContact CG2-CG1 3.81Å; V197-V236 HydrophobicContact CG2-CG2 4.2Å; F217-V236 HydrophobicContact CE1-CG1 4.39Å; F217-V236 HydrophobicContact CZ-CG1 4.14Å; V223-V236 HydrophobicContact CB-CG1 4.12Å; V223-V236 HydrophobicContact CG1-CG1 4.25Å; M224-V236 WeakPolarHBondContact O-CA 3.16Å; M225-V236 HydrophobicContact CG-CG2 4.22Å; V234-V236 HydrophobicContact CG1-CG2 4.31Å; V234-V236 HydrophobicContact CG2-CG2 4.48Å; V236-H256 HydrophobicContact CB-CB 4.24Å; V236-H256 PolarHBondContact N-O 3.19Å; V236-H256 PolarHBondContact O-N 2.62Å; V236-L258 HydrophobicContact CB-CD1 4.43Å; V236-L258 HydrophobicContact CG2-CD1 3.72Å
237T96Very high84.6Confident17 Ų1751.5 Ų51.510%0.10430%0.295CS..EExtended strand (participates in β ladder)trans-89.8108.5171.2-550000108.1V223 M224 T254 I275V223-T237 CarbonylContact C-O 3.44Å; V223-T237 VanDerWaalsContact CA-O 3.25Å; V223-T237 WeakPolarHBondContact CA-O 3.35Å; M224-T237 PolarHBondContact N-O 2.81Å; M224-T237 PolarHBondContact O-N 2.85Å; T237-T254 CarbonylContact C-O 3.58Å; T237-T254 WeakPolarHBondContact CA-O 3.45Å; T237-I275 HydrophobicContact CG2-CD1 4.44Å
238A94Very high83.1Confident1 Ų151.6 Ų51.61%0.00830%0.3CS..EExtended strand (participates in β ladder)trans-92.813917400000110F217 A220 V223 Q253 T254F217-A238 HydrophobicContact CD2-CB 3.89Å; F217-A238 HydrophobicContact CE2-CB 3.58Å; F217-A238 HydrophobicContact CZ-CB 4.31Å; A220-A238 HydrophobicContact CB-CB 3.96Å; V223-A238 HydrophobicContact CG1-CB 4.16Å; A238-Q253 CarbonylContact O-C 3.59Å; A238-Q253 VanDerWaalsContact O-CA 3.23Å; A238-Q253 WeakPolarHBondContact O-CA 3.28Å; A238-T254 PolarHBondContact N-O 2.87Å; A238-T254 PolarHBondContact O-N 2.83Å
239S91.1Very high81.6Confident29 Ų2962 Ų6220%0.20334%0.341CS..EExtended strand (participates in β ladder)trans-134145.118060.40000112D221 K222 E252D221-S239 PolarHBondContact N-O 2.86Å; K222-S239 PolarHBondContact N-O 2.9Å; K222-S239 PolarHBondContact O-N 2.93Å; K222-S239 PolarHBondContact O-OG 2.96Å; S239-E252 WeakPolarHBondContact CA-O 3.44Å
240T86.8Confident80.3Confident14 Ų1467.6 Ų67.69%0.08636%0.359CS..  trans-111.1146.8166.846.70000111.1K219 D221 G251 E252K219-T240 HydrophobicContact CB-CG2 3.59Å; K219-T240 WeakPolarHBondContact O-CG2 3.42Å; D221-T240 VanDerWaalsContact OD2-CA 3.27Å; D221-T240 WeakPolarHBondContact OD2-CA 3.34Å; T240-G251 WeakPolarHBondContact O-CA 3.21Å; T240-E252 PolarHBondContact N-O 2.86Å; T240-E252 PolarHBondContact OG1-N 2.84Å; T240-E252 PolarHBondContact OG1-O 2.87Å
241E74.4Confident79.8Confident150 Ų15061.6 Ų61.670%0.70134%0.337SS*.SBendtrans-80.9-37179.6-67.9-176171.700112.2D221D221-E241 HydrophobicContact CB-CG 4.47Å; D221-E241 PolarHBondContact OD2-N 2.98Å
242V68.6Low79.5Confident103 Ų10365 Ų6562%0.62435%0.352SS*.SBendtrans-133.3124-179.3-175.20000109.6K244V242-K244 PolarHBondContact O-N 2.87Å
243D67.2Low79.4Confident18 Ų1866.3 Ų66.310%0.09635%0.353CS..  trans-74112.5172.9178.814000109S245 G246 A247 S248D243-S245 PolarHBondContact O-N 2.92Å; D243-S245 VanDerWaalsContact O-N 3.1Å; D243-S245 WeakPolarHBondContact OD1-CB 3.37Å; D243-S245 PolarHBondContact OD1-N 2.88Å; D243-S245 PolarHBondContact OD1-OG 3.04Å; D243-S245 PolarHBondContact OD2-OG 3.19Å; D243-G246 PolarHBondContact O-N 3.41Å; D243-A247 PolarHBondContact OD2-N 2.94Å; D243-S248 WeakPolarHBondContact CB-O 3.31Å
244K64.6Low79.4Confident207 Ų20767.9 Ų67.990%0.936%0.363SS*.THydrogen-bonded Turntrans-62.8-15.1177.9-63.8-176.9-178.1177.30113.1V242 G246V242-K244 PolarHBondContact O-N 2.87Å; K244-G246 VanDerWaalsContact C-N 3.27Å
245S66.7Low79.4Confident88 Ų8868 Ų6862%0.61536%0.364SS*.THydrogen-bonded Turntrans-76.8-14.417393.90000113.2D243 A247D243-S245 PolarHBondContact O-N 2.92Å; D243-S245 VanDerWaalsContact O-N 3.1Å; D243-S245 WeakPolarHBondContact OD1-CB 3.37Å; D243-S245 PolarHBondContact OD1-N 2.88Å; D243-S245 PolarHBondContact OD1-OG 3.04Å; D243-S245 PolarHBondContact OD2-OG 3.19Å; S245-A247 PolarHBondContact O-N 3.03Å; S245-A247 WeakPolarHBondContact OG-CB 3.48Å; S245-A247 PolarHBondContact OG-N 2.9Å
246G63.4Low79.4Confident67 Ų6768.3 Ų68.369%0.69137%0.365SS*.SBendtrans75.24.3-176.400000114.5D243 K244D243-G246 PolarHBondContact O-N 3.41Å; K244-G246 VanDerWaalsContact C-N 3.27Å
247A62.1Low79.4Confident87 Ų8768.8 Ų68.872%0.71937%0.367SS*.SBendtrans-77.5-24-17800000113.6D243 S245D243-A247 PolarHBondContact OD2-N 2.94Å; S245-A247 PolarHBondContact O-N 3.03Å; S245-A247 WeakPolarHBondContact OG-CB 3.48Å; S245-A247 PolarHBondContact OG-N 2.9Å
248S64.6Low79.4Confident32 Ų3268 Ų6822%0.22436%0.362CS..  trans-138.5127.1-179.2177.30000111.6D243 Y250 G251D243-S248 WeakPolarHBondContact CB-O 3.31Å; S248-Y250 PolarHBondContact O-N 3.02Å; S248-Y250 PolarHBondContact OG-N 3.47Å; S248-G251 WeakPolarHBondContact CB-O 3.4Å; S248-G251 PolarHBondContact OG-N 2.83Å; S248-G251 PolarHBondContact OG-O 3.21Å
249Y61.1Low79.5Confident219 Ų21968 Ų6886%0.85936%0.362SS*.THydrogen-bonded Turntrans-71.9-16.3172.1-137.6-86.5000112.7
250Y63.9Low79.6Confident206 Ų20668.5 Ų68.581%0.80836%0.364SS*.THydrogen-bonded Turntrans-103.714.5-177.2-63.1-73.9000112.9S248S248-Y250 PolarHBondContact O-N 3.02Å; S248-Y250 PolarHBondContact OG-N 3.47Å
251G79.9Confident79.9Confident11 Ų1172.7 Ų72.711%0.11339%0.386CS..  trans66.9-159.9-177.400000114.2T240 S248T240-G251 WeakPolarHBondContact O-CA 3.21Å; S248-G251 WeakPolarHBondContact CB-O 3.4Å; S248-G251 PolarHBondContact OG-N 2.83Å; S248-G251 PolarHBondContact OG-O 3.21Å
252E85.8Confident80.7Confident77 Ų7767.2 Ų67.236%0.3637%0.369SS..  trans-126142-178.1-175.1178.5-175.800109.8K219 S239 T240K219-E252 WeakPolarHBondContact CD-OE2 3.32Å; K219-E252 IonicContact NZ-OE2 2.99Å; K219-E252 PolarHBondContact NZ-OE2 2.82Å; S239-E252 WeakPolarHBondContact CA-O 3.44Å; T240-E252 PolarHBondContact N-O 2.86Å; T240-E252 PolarHBondContact OG1-N 2.84Å; T240-E252 PolarHBondContact OG1-O 2.87Å
253Q91.8Very high82Confident65 Ų6567.7 Ų67.730%0.30437%0.365SS..EExtended strand (participates in β ladder)trans-126.1138.4175.2-70.9178.2-42.400110.7A238 I275A238-Q253 CarbonylContact O-C 3.59Å; A238-Q253 VanDerWaalsContact O-CA 3.23Å; A238-Q253 WeakPolarHBondContact O-CA 3.28Å; Q253-I275 HydrophobicContact CB-CD1 4.33Å; Q253-I275 HydrophobicContact CB-CG1 4.24Å; Q253-I275 PolarHBondContact OE1-O 2.66Å; Q253-I275 VanDerWaalsContact OE1-O 3.11Å
254T94.3Very high83.3Confident34 Ų3469.2 Ų69.221%0.20938%0.375CS..EExtended strand (participates in β ladder)trans-130.7145.8177.555.20000110.5T237 A238 H256T237-T254 CarbonylContact C-O 3.58Å; T237-T254 WeakPolarHBondContact CA-O 3.45Å; A238-T254 PolarHBondContact N-O 2.87Å; A238-T254 PolarHBondContact O-N 2.83Å; T254-H256 PolarHBondContact OG1-NE2 3.23Å
255L96.6Very high84.8Confident1 Ų160.8 Ų60.81%0.00534%0.344CS..EExtended strand (participates in β ladder)trans-111.8123.6178-179.262.1000110.5L235 L266 V267 I275 V278 F287 V289L235-L255 HydrophobicContact CB-CD1 4.2Å; L235-L255 HydrophobicContact CD2-CD1 4.18Å; L235-L255 HydrophobicContact CD2-CG 4.42Å; L255-L266 WeakPolarHBondContact O-CD1 3.38Å; L255-V267 HydrophobicContact CB-CB 4.13Å; L255-V267 HydrophobicContact CB-CG2 4.32Å; L255-V267 HydrophobicContact CD2-CB 3.99Å; L255-V267 HydrophobicContact CD2-CG1 4.16Å; L255-V267 HydrophobicContact CD2-CG2 3.89Å; L255-V267 HydrophobicContact CG-CB 4.04Å; L255-V267 HydrophobicContact CG-CG2 3.76Å; L255-V267 PolarHBondContact O-N 3.43Å; L255-I275 HydrophobicContact CB-CD1 3.76Å; L255-V278 HydrophobicContact CD1-CG1 4.36Å; L255-V278 HydrophobicContact CD1-CG2 4.16Å; L255-V278 HydrophobicContact CD2-CG1 4.4Å; L255-V278 HydrophobicContact CD2-CG2 4.22Å; L255-F287 HydrophobicContact CD2-CE2 4.11Å; L255-V289 HydrophobicContact CD2-CG1 4.19Å; L255-V289 HydrophobicContact CD2-CG2 3.58Å
256H96.8Very high86.2Confident8 Ų860.1 Ų60.14%0.03733%0.333CS..EExtended strand (participates in β ladder)trans-115.8145.5179.1-49.2-81.7000110.7K215 F217 L235 V236 T254 L258 A265K215-H256 HydrophobicContact CG-CB 4.32Å; F217-H256 AromaticContact CG-NE2 3.71Å; L235-H256 WeakPolarHBondContact CA-O 3.18Å; V236-H256 HydrophobicContact CB-CB 4.24Å; V236-H256 PolarHBondContact N-O 3.19Å; V236-H256 PolarHBondContact O-N 2.62Å; T254-H256 PolarHBondContact OG1-NE2 3.23Å; H256-L258 HydrophobicContact CB-CD1 4.25Å; H256-A265 WeakPolarHBondContact CA-O 3.48Å
257Y97.4Very high87.8Confident11 Ų1157.2 Ų57.24%0.04330%0.302CS..EExtended strand (participates in β ladder)trans-110.6135.3173.3172.2-88.2000109.4A233 L235 T264 A265 W280 L303 C305A233-Y257 HydrophobicContact CB-CD2 4.32Å; A233-Y257 HydrophobicContact CB-CE2 3.42Å; A233-Y257 VanDerWaalsContact CB-CE2 3.42Å; A233-Y257 WeakPolarHBondContact CB-OH 3.45Å; L235-Y257 HydrophobicContact CD2-CD2 4.19Å; Y257-T264 CarbonylContact O-C 3.54Å; Y257-T264 VanDerWaalsContact O-CA 3.22Å; Y257-T264 WeakPolarHBondContact O-CA 3.39Å; Y257-A265 PolarHBondContact N-O 3.32Å; Y257-A265 PolarHBondContact O-N 3.21Å; Y257-W280 HydrophobicContact CD2-CH2 4.34Å; Y257-W280 HydrophobicContact CE2-CH2 4.03Å; Y257-L303 HydrophobicContact CE2-CD2 4.14Å; Y257-C305 WeakPolarHBondContact CB-SG 3.35Å
258L97Very high89.4Confident0 Ų059.5 Ų59.50%030%0.297CS..EExtended strand (participates in β ladder)trans-131.3119171-67.873.5000109.4V197 L199 K215 A233 V234 V236 H256 T264V197-L258 HydrophobicContact CB-CD2 4.13Å; V197-L258 HydrophobicContact CG1-CD2 3.85Å; L199-L258 HydrophobicContact CD1-CB 4.1Å; L199-L258 HydrophobicContact CG-CD2 4.34Å; K215-L258 HydrophobicContact CB-CD1 3.7Å; K215-L258 HydrophobicContact CB-CD2 3.71Å; K215-L258 HydrophobicContact CB-CG 3.7Å; K215-L258 HydrophobicContact CG-CD1 4.06Å; K215-L258 HydrophobicContact CG-CG 4.48Å; A233-L258 CarbonylContact C-O 3.47Å; A233-L258 VanDerWaalsContact CA-O 3.31Å; A233-L258 WeakPolarHBondContact CA-O 3.46Å; V234-L258 HydrophobicContact CG1-CB 3.74Å; V234-L258 PolarHBondContact N-O 2.87Å; V234-L258 PolarHBondContact O-N 3.36Å; V236-L258 HydrophobicContact CB-CD1 4.43Å; V236-L258 HydrophobicContact CG2-CD1 3.72Å; H256-L258 HydrophobicContact CB-CD1 4.25Å; L258-T264 HydrophobicContact CG-CG2 4.06Å
259G95.3Very high90.8Very high0 Ų060 Ų600%030%0.297CS..EExtended strand (participates in β ladder)trans-91151.8172.300000112A213 N261 G262 E263A213-G259 WeakPolarHBondContact CB-O 3.43Å; G259-N261 PolarHBondContact O-N 3.32Å; G259-G262 PolarHBondContact O-N 2.81Å; G259-G262 VanDerWaalsContact O-N 3.1Å; G259-E263 PolarHBondContact N-O 3.23Å
260V93.4Very high92.4Very high40 Ų4053.3 Ų53.324%0.24229%0.288CS..THydrogen-bonded Turntrans-68-15.7175.9-610000113.3K182 L199 L212 W227 S232 G262K182-V260 HydrophobicContact CD-CB 4.19Å; K182-V260 HydrophobicContact CD-CG1 3.41Å; K182-V260 VanDerWaalsContact CD-CG1 3.41Å; L199-V260 HydrophobicContact CD1-CG1 4.48Å; L212-V260 HydrophobicContact CD1-CB 4.43Å; W227-V260 HydrophobicContact CH2-CG1 4.48Å; W227-V260 HydrophobicContact CZ3-CG1 4.05Å; S232-V260 WeakPolarHBondContact O-CG1 3.39Å; S232-V260 WeakPolarHBondContact O-CG2 3.46Å; S232-V260 PolarHBondContact O-N 3.05Å; V260-G262 PolarHBondContact O-N 3.05Å
261N92.6Very high93.7Very high102 Ų10246 Ų4655%0.54526%0.26SS..THydrogen-bonded Turntrans-78-0.8172.761.9-6.9000113.3G259 E263G259-N261 PolarHBondContact O-N 3.32Å; N261-E263 WeakPolarHBondContact ND2-CG 3.27Å; N261-E263 PolarHBondContact ND2-OE2 3.21Å; N261-E263 WeakPolarHBondContact OD1-CB 3.34Å; N261-E263 PolarHBondContact OD1-N 2.91Å
262G92.6Very high94.2Very high35 Ų3552 Ų5236%0.36129%0.289SS..SBendtrans91.5-6.3-177.500000114.4L212 G259 V260 T264L212-G262 VanDerWaalsContact O-CA 3.31Å; L212-G262 WeakPolarHBondContact O-CA 3.2Å; G259-G262 PolarHBondContact O-N 2.81Å; G259-G262 VanDerWaalsContact O-N 3.1Å; V260-G262 PolarHBondContact O-N 3.05Å; G262-T264 PolarHBondContact O-N 3.07Å
263E94.2Very high94.4Very high113 Ų11349.7 Ų49.753%0.52829%0.286SS..  trans-67133.6176.4-69.8176.9164.800110.5G259 N261G259-E263 PolarHBondContact N-O 3.23Å; N261-E263 WeakPolarHBondContact ND2-CG 3.27Å; N261-E263 PolarHBondContact ND2-OE2 3.21Å; N261-E263 WeakPolarHBondContact OD1-CB 3.34Å; N261-E263 PolarHBondContact OD1-N 2.91Å
264T96.1Very high94.5Very high51 Ų5148.4 Ų48.431%0.31328%0.284SS..EExtended strand (participates in β ladder)trans-135.9140.2174.975.10000111A213 K215 Y257 L258 G262A213-T264 HydrophobicContact CB-CG2 4.44Å; K215-T264 HydrophobicContact CB-CG2 4.21Å; K215-T264 PolarHBondContact NZ-OG1 3.39Å; Y257-T264 CarbonylContact O-C 3.54Å; Y257-T264 VanDerWaalsContact O-CA 3.22Å; Y257-T264 WeakPolarHBondContact O-CA 3.39Å; L258-T264 HydrophobicContact CG-CG2 4.06Å; G262-T264 PolarHBondContact O-N 3.07Å
265A95.6Very high94.5Very high29 Ų2947.2 Ų47.224%0.2428%0.276CS..EExtended strand (participates in β ladder)trans-140.7155.8-178.600000111.8H256 Y257 C305H256-A265 WeakPolarHBondContact CA-O 3.48Å; Y257-A265 PolarHBondContact N-O 3.32Å; Y257-A265 PolarHBondContact O-N 3.21Å; A265-C305 HydrophobicContact CB-CB 4.4Å
266L95.8Very high94.5Very high75 Ų7551.3 Ų51.339%0.39329%0.292SS..EExtended strand (participates in β ladder)trans-100.2120.4164.7170.367.7000106.5L255 Q268L255-L266 WeakPolarHBondContact O-CD1 3.38Å; L266-Q268 PolarHBondContact O-N 2.94Å
267V96.6Very high94.5Very high5 Ų552.9 Ų52.93%0.0330%0.301CS..  trans-72.6117.8-179.7-174.20000108.7L255 L269 F287 F301 C305L255-V267 HydrophobicContact CB-CB 4.13Å; L255-V267 HydrophobicContact CB-CG2 4.32Å; L255-V267 HydrophobicContact CD2-CB 3.99Å; L255-V267 HydrophobicContact CD2-CG1 4.16Å; L255-V267 HydrophobicContact CD2-CG2 3.89Å; L255-V267 HydrophobicContact CG-CB 4.04Å; L255-V267 HydrophobicContact CG-CG2 3.76Å; L255-V267 PolarHBondContact O-N 3.43Å; V267-L269 HydrophobicContact CG1-CD2 4.1Å; V267-L269 PolarHBondContact O-N 2.9Å; V267-F287 HydrophobicContact CG1-CE2 4.32Å; V267-F287 HydrophobicContact CG1-CZ 4.47Å; V267-F287 HydrophobicContact CG2-CE2 4.25Å; V267-F287 HydrophobicContact CG2-CZ 4.02Å; V267-F301 HydrophobicContact CG1-CD1 4.08Å; V267-F301 HydrophobicContact CG1-CD2 4.42Å; V267-F301 HydrophobicContact CG1-CE1 4.02Å; V267-F301 HydrophobicContact CG1-CE2 4.35Å; V267-F301 HydrophobicContact CG1-CG 4.29Å; V267-F301 HydrophobicContact CG1-CZ 4.15Å; V267-C305 HydrophobicContact CG2-CB 4.13Å
268Q95.3Very high94.5Very high135 Ų13552.7 Ų52.763%0.63130%0.301SS*.  trans-82.2114.5-179.3-64.4-59.4-41.300110.4L266L266-Q268 PolarHBondContact O-N 2.94Å
269L95.5Very high94.5Very high42 Ų4253.4 Ų53.422%0.2231%0.307CS..  trans-94.6121.9-178.9-60.6-176.8000110.3V267 K271 I275 V289 Y291 F301V267-L269 HydrophobicContact CG1-CD2 4.1Å; V267-L269 PolarHBondContact O-N 2.9Å; L269-K271 PolarHBondContact O-N 2.84Å; L269-I275 HydrophobicContact CD1-CD1 3.69Å; L269-I275 HydrophobicContact CD1-CG1 3.66Å; L269-V289 HydrophobicContact CD2-CG1 4.04Å; L269-Y291 HydrophobicContact CB-CD2 3.66Å; L269-Y291 HydrophobicContact CB-CE2 3.66Å; L269-Y291 HydrophobicContact CB-CG 4.24Å; L269-Y291 HydrophobicContact CD1-CD2 4.12Å; L269-Y291 HydrophobicContact CD1-CG 3.96Å; L269-Y291 HydrophobicContact CD2-CD1 3.86Å; L269-Y291 HydrophobicContact CD2-CD2 4.26Å; L269-Y291 HydrophobicContact CD2-CE1 3.9Å; L269-Y291 HydrophobicContact CD2-CE2 4.3Å; L269-Y291 HydrophobicContact CD2-CG 4.03Å; L269-Y291 HydrophobicContact CG-CD2 4.22Å; L269-Y291 HydrophobicContact CG-CE2 4.45Å; L269-Y291 HydrophobicContact CG-CG 4.3Å; L269-F301 HydrophobicContact CD2-CE2 4.27Å; L269-F301 HydrophobicContact CD2-CZ 4.07Å
270A93.4Very high94.6Very high80 Ų8054.9 Ų54.966%0.66131%0.312SS*.SBendtrans-69.61.4-173.900000115.7Y291A270-Y291 PolarHBondContact N-OH 3.36Å
271K92.3Very high94.7Very high53 Ų5353 Ų5323%0.2330%0.301CS..SBendtrans-145.9128.8-176.2-174.2176.8-1801750109.5L269 Y291 F293 P295 K297 T313L269-K271 PolarHBondContact O-N 2.84Å; K271-Y291 HydrophobicContact CB-CD2 4.2Å; K271-Y291 HydrophobicContact CB-CE2 3.89Å; K271-F293 WeakPolarHBondContact CE-O 3.31Å; K271-F293 PolarHBondContact NZ-O 3.46Å; K271-P295 PolarHBondContact NZ-O 2.51Å; K271-K297 HydrophobicContact CB-CB 4.29Å; K271-K297 HydrophobicContact CB-CD 4.24Å; K271-K297 HydrophobicContact CD-CB 4.15Å; K271-T313 HydrophobicContact CD-CG2 4.42Å
272N90.1Very high94.8Very high135 Ų13549.1 Ų49.172%0.72228%0.281SS*.  trans-69.2142177.4-65.4-26.1000111.6G292 F293N272-G292 CarbonylContact O-C 3.2Å; N272-G292 VanDerWaalsContact O-CA 3.26Å; N272-G292 WeakPolarHBondContact O-CA 3.5Å; N272-F293 WeakPolarHBondContact O-CD2 3.34Å; N272-F293 PolarHBondContact O-N 2.86Å
273G90.4Very high94.7Very high29 Ų2950.5 Ų50.530%0.29928%0.28SS..SBendtrans137.5-173.6176.800000111.7
274P92.6Very high94.6Very high38 Ų3845.1 Ų45.125%0.24726%0.255CS..  trans-71.1161.6-177.231.6-36.8000111.9Y276 Y291 G292P274-Y276 HydrophobicContact CG-CE1 3.81Å; P274-Y276 HydrophobicContact CG-CE2 4Å; P274-Y276 WeakPolarHBondContact CG-OH 3.2Å; P274-Y291 CarbonylContact O-C 3.57Å; P274-Y291 VanDerWaalsContact O-CA 3.24Å; P274-Y291 WeakPolarHBondContact O-CA 3.34Å; P274-G292 PolarHBondContact O-N 2.65Å
275I95.5Very high94.5Very high10 Ų1047.2 Ų47.25%0.05126%0.264CS..EExtended strand (participates in β ladder)trans-94.8110167-56178.7000106.7T237 Q253 L255 L269 V278 V289T237-I275 HydrophobicContact CG2-CD1 4.44Å; Q253-I275 HydrophobicContact CB-CD1 4.33Å; Q253-I275 HydrophobicContact CB-CG1 4.24Å; Q253-I275 PolarHBondContact OE1-O 2.66Å; Q253-I275 VanDerWaalsContact OE1-O 3.11Å; L255-I275 HydrophobicContact CB-CD1 3.76Å; L269-I275 HydrophobicContact CD1-CD1 3.69Å; L269-I275 HydrophobicContact CD1-CG1 3.66Å; I275-V278 HydrophobicContact CG2-CG2 3.6Å; I275-V289 HydrophobicContact CG2-CG1 3.97Å
276Y95.4Very high94.5Very high86 Ų8647.7 Ų47.734%0.33726%0.261SS..EExtended strand (participates in β ladder)trans-78.5-40.2179.9-65.3-69.9000111.8P274 V290 G292 M294 A296 N317P274-Y276 HydrophobicContact CG-CE1 3.81Å; P274-Y276 HydrophobicContact CG-CE2 4Å; P274-Y276 WeakPolarHBondContact CG-OH 3.2Å; Y276-V290 HydrophobicContact CD2-CG1 4.39Å; Y276-V290 PolarHBondContact N-O 3.2Å; Y276-G292 VanDerWaalsContact CE2-O 3.3Å; Y276-G292 WeakPolarHBondContact CE2-O 3.39Å; Y276-M294 HydrophobicContact CD1-CE 4.35Å; Y276-M294 HydrophobicContact CD2-CE 4.03Å; Y276-M294 HydrophobicContact CE1-CE 3.98Å; Y276-M294 HydrophobicContact CE2-CE 3.61Å; Y276-M294 HydrophobicContact CE2-CG 4.43Å; Y276-M294 HydrophobicContact CE2-SD 4.4Å; Y276-M294 HydrophobicContact CG-CE 4.39Å; Y276-A296 HydrophobicContact CD2-CB 3.85Å; Y276-A296 HydrophobicContact CE2-CB 3.8Å; Y276-N317 WeakPolarHBondContact CB-O 3.46Å; Y276-N317 HydrophobicContact CD1-CB 4.25Å; Y276-N317 HydrophobicContact CG-CB 4.12Å
277D97.3Very high94.6Very high42 Ų4244.1 Ų44.123%0.22524%0.242CC..EExtended strand (participates in β ladder)trans-156.8151.5-177.7-162.616.7000112.5V290 A318 A319D277-V290 HydrophobicContact CB-CB 4.41Å; D277-V290 PolarHBondContact N-O 2.76Å; D277-V290 PolarHBondContact O-N 3Å; D277-A318 WeakPolarHBondContact OD2-CA 3.36Å; D277-A319 PolarHBondContact OD2-N 2.86Å
278V97.7Very high94.7Very high7 Ų743.9 Ų43.94%0.04224%0.241CC..EExtended strand (participates in β ladder)trans-137123.8176.7-176.60000107.6Q226 L235 L255 I275 C288 V289Q226-V278 PolarHBondContact NE2-O 3.46Å; Q226-V278 PolarHBondContact OE1-O 3.25Å; L235-V278 HydrophobicContact CD1-CG1 3.58Å; L255-V278 HydrophobicContact CD1-CG1 4.36Å; L255-V278 HydrophobicContact CD1-CG2 4.16Å; L255-V278 HydrophobicContact CD2-CG1 4.4Å; L255-V278 HydrophobicContact CD2-CG2 4.22Å; I275-V278 HydrophobicContact CG2-CG2 3.6Å; V278-C288 WeakPolarHBondContact CA-O 3.35Å; V278-V289 HydrophobicContact CG2-CG1 4.26Å
279A97.6Very high94.8Very high15 Ų1537.4 Ų37.412%0.12421%0.211CC..EExtended strand (participates in β ladder)trans-131.3123.1-177.100000111F287 C288 A319 Y321A279-F287 CarbonylContact O-C 3.49Å; A279-F287 VanDerWaalsContact O-CA 3.25Å; A279-F287 WeakPolarHBondContact O-CA 3.36Å; A279-F287 WeakPolarHBondContact O-CB 3.35Å; A279-C288 PolarHBondContact N-O 2.84Å; A279-C288 PolarHBondContact O-N 3.24Å; A279-A319 HydrophobicContact CB-CB 4.21Å; A279-A319 WeakPolarHBondContact CB-O 3.22Å; A279-Y321 HydrophobicContact CB-CD2 4.04Å; A279-Y321 HydrophobicContact CB-CE2 4.16Å; A279-Y321 WeakPolarHBondContact O-CE2 3.32Å
280W97.3Very high95Very high31 Ų3135.4 Ų35.412%0.11720%0.201CC..EExtended strand (participates in β ladder)trans-69.5137.7168.8-80.2111.3000110.9Q226 N228 A233 L235 Y257 F287 L303 Y321Q226-W280 PolarHBondContact O-NE1 2.99Å; N228-W280 HydrophobicContact CB-CD2 3.68Å; N228-W280 HydrophobicContact CB-CE3 3.86Å; N228-W280 HydrophobicContact CB-CG 4.14Å; N228-W280 HydrophobicContact CB-CH2 4.21Å; N228-W280 HydrophobicContact CB-CZ2 3.99Å; N228-W280 HydrophobicContact CB-CZ3 4.14Å; A233-W280 HydrophobicContact CB-CH2 3.97Å; A233-W280 HydrophobicContact CB-CZ2 4.15Å; L235-W280 HydrophobicContact CB-CZ2 4.32Å; L235-W280 HydrophobicContact CD1-CD2 3.91Å; L235-W280 VanDerWaalsContact CD1-CE2 3.42Å; L235-W280 HydrophobicContact CD1-CE3 4.47Å; L235-W280 HydrophobicContact CD1-CG 4.41Å; L235-W280 HydrophobicContact CD1-CH2 4.2Å; L235-W280 HydrophobicContact CD1-CZ2 3.65Å; L235-W280 HydrophobicContact CD2-CZ2 4.33Å; L235-W280 HydrophobicContact CG-CH2 4.11Å; L235-W280 HydrophobicContact CG-CZ2 3.41Å; L235-W280 VanDerWaalsContact CG-CZ2 3.41Å; Y257-W280 HydrophobicContact CD2-CH2 4.34Å; Y257-W280 HydrophobicContact CE2-CH2 4.03Å; W280-F287 HydrophobicContact CD2-CB 4.2Å; W280-F287 HydrophobicContact CE3-CB 3.81Å; W280-F287 HydrophobicContact CE3-CD1 4.22Å; W280-F287 HydrophobicContact CE3-CG 4.44Å; W280-F287 HydrophobicContact CH2-CD1 4.1Å; W280-F287 HydrophobicContact CZ3-CB 4.2Å; W280-F287 AromaticContact CZ3-CD1 3.72Å; W280-F287 HydrophobicContact CZ3-CD1 3.72Å; W280-F287 HydrophobicContact CZ3-CG 4.37Å; W280-L303 HydrophobicContact CH2-CD2 4.07Å; W280-L303 HydrophobicContact CZ3-CD2 3.81Å; W280-Y321 WeakPolarHBondContact O-CD2 3.48Å
281S95.7Very high95.1Very high1 Ų131.7 Ų31.71%0.00717%0.169CC..  trans-68.3139.1163.9-179.50000109.4N283 S284 E286S281-N283 VanDerWaalsContact CB-OD1 3.3Å; S281-N283 WeakPolarHBondContact CB-OD1 3.14Å; S281-N283 PolarHBondContact O-N 2.86Å; S281-N283 VanDerWaalsContact O-N 3.1Å; S281-N283 PolarHBondContact OG-ND2 2.89Å; S281-N283 PolarHBondContact OG-OD1 3.27Å; S281-N283 VanDerWaalsContact OG-OD1 3.08Å; S281-S284 WeakPolarHBondContact O-CA 3.5Å; S281-S284 PolarHBondContact O-N 3.23Å; S281-E286 WeakPolarHBondContact CB-O 3.25Å; S281-E286 PolarHBondContact N-O 2.84Å
282P93Very high95.2Very high20 Ų2029.2 Ų29.213%0.1316%0.158CC..THydrogen-bonded Turntrans-53.7-30.3175-28.936.2000113.5Q229 S284 S322 P323Q229-P282 PolarHBondContact OE1-O 2.69Å; P282-S284 PolarHBondContact O-N 3.07Å; P282-S284 PolarHBondContact O-OG 2.94Å; P282-S322 WeakPolarHBondContact CG-O 3.46Å; P282-P323 WeakPolarHBondContact CB-O 3.35Å
283N90.9Very high95.2Very high63 Ų6328.4 Ų28.434%0.33715%0.149SC..THydrogen-bonded Turntrans-64.9-12.9176.370.318.2000114.1K230 S281 L285K230-N283 PolarHBondContact NZ-O 3.38Å; S281-N283 VanDerWaalsContact CB-OD1 3.3Å; S281-N283 WeakPolarHBondContact CB-OD1 3.14Å; S281-N283 PolarHBondContact O-N 2.86Å; S281-N283 VanDerWaalsContact O-N 3.1Å; S281-N283 PolarHBondContact OG-ND2 2.89Å; S281-N283 PolarHBondContact OG-OD1 3.27Å; S281-N283 VanDerWaalsContact OG-OD1 3.08Å; N283-L285 PolarHBondContact O-N 2.72Å; N283-L285 PolarHBondContact OD1-N 2.9Å
284S93.1Very high95.2Very high1 Ų130 Ų301%0.00715%0.149CC..SBendtrans62.120-179.4-61.80000115.1N228 Q229 K230 S281 P282N228-S284 PolarHBondContact ND2-O 3.21Å; Q229-S284 WeakPolarHBondContact CB-OG 3.29Å; Q229-S284 PolarHBondContact N-OG 2.85Å; Q229-S284 VanDerWaalsContact N-OG 3.13Å; K230-S284 PolarHBondContact N-OG 3.46Å; S281-S284 WeakPolarHBondContact O-CA 3.5Å; S281-S284 PolarHBondContact O-N 3.23Å; P282-S284 PolarHBondContact O-N 3.07Å; P282-S284 PolarHBondContact O-OG 2.94Å
285L93.5Very high95.3Very high94 Ų9429.1 Ų29.149%0.49214%0.143SC..SBendtrans-108.2-18.4179.9-63176.4000113.1N283 L303N283-L285 PolarHBondContact O-N 2.72Å; N283-L285 PolarHBondContact OD1-N 2.9Å; L285-L303 HydrophobicContact CD2-CD1 4.35Å; L285-L303 WeakPolarHBondContact O-CG 3.19Å; L285-L303 PolarHBondContact O-N 2.89Å
286E96Very high95.3Very high39 Ų3928.6 Ų28.618%0.18214%0.141CC..EExtended strand (participates in β ladder)trans-143.9160.9-174.8-63.2177.4170.200110.5S281 V300 F301S281-E286 WeakPolarHBondContact CB-O 3.25Å; S281-E286 PolarHBondContact N-O 2.84Å; E286-V300 HydrophobicContact CB-CG1 3.86Å; E286-V300 HydrophobicContact CG-CG1 4.36Å; E286-F301 CarbonylContact C-O 3.58Å; E286-F301 WeakPolarHBondContact CA-O 3.18Å; E286-F301 WeakPolarHBondContact CB-O 3.43Å
287F97.8Very high95.3Very high0 Ų025.3 Ų25.30%013%0.128CC..EExtended strand (participates in β ladder)trans-144.2146.2173.957.5-86.7000110.9L235 L255 V267 A279 W280 V289 V300 F301 N302L235-F287 HydrophobicContact CD1-CB 3.8Å; L235-F287 HydrophobicContact CD1-CD1 4.07Å; L235-F287 HydrophobicContact CD1-CD2 3.71Å; L235-F287 HydrophobicContact CD1-CE2 4.28Å; L235-F287 HydrophobicContact CD1-CG 3.59Å; L235-F287 HydrophobicContact CD2-CD1 4.43Å; L235-F287 HydrophobicContact CD2-CD2 4.31Å; L235-F287 HydrophobicContact CD2-CE1 4.16Å; L235-F287 HydrophobicContact CD2-CE2 4.04Å; L235-F287 HydrophobicContact CD2-CZ 3.96Å; L255-F287 HydrophobicContact CD2-CE2 4.11Å; V267-F287 HydrophobicContact CG1-CE2 4.32Å; V267-F287 HydrophobicContact CG1-CZ 4.47Å; V267-F287 HydrophobicContact CG2-CE2 4.25Å; V267-F287 HydrophobicContact CG2-CZ 4.02Å; A279-F287 CarbonylContact O-C 3.49Å; A279-F287 VanDerWaalsContact O-CA 3.25Å; A279-F287 WeakPolarHBondContact O-CA 3.36Å; A279-F287 WeakPolarHBondContact O-CB 3.35Å; W280-F287 HydrophobicContact CD2-CB 4.2Å; W280-F287 HydrophobicContact CE3-CB 3.81Å; W280-F287 HydrophobicContact CE3-CD1 4.22Å; W280-F287 HydrophobicContact CE3-CG 4.44Å; W280-F287 HydrophobicContact CH2-CD1 4.1Å; W280-F287 HydrophobicContact CZ3-CB 4.2Å; W280-F287 AromaticContact CZ3-CD1 3.72Å; W280-F287 HydrophobicContact CZ3-CD1 3.72Å; W280-F287 HydrophobicContact CZ3-CG 4.37Å; F287-V289 HydrophobicContact CD2-CG2 3.69Å; F287-V289 HydrophobicContact CE2-CG2 3.79Å; F287-V300 CarbonylContact O-C 3.42Å; F287-V300 WeakPolarHBondContact O-CA 3.42Å; F287-F301 HydrophobicContact CD1-CB 4.43Å; F287-F301 HydrophobicContact CD2-CB 4.17Å; F287-F301 HydrophobicContact CD2-CD2 4.45Å; F287-F301 HydrophobicContact CE1-CB 3.93Å; F287-F301 HydrophobicContact CE2-CB 3.63Å; F287-F301 HydrophobicContact CE2-CD2 4.01Å; F287-F301 HydrophobicContact CE2-CG 4.05Å; F287-F301 HydrophobicContact CZ-CB 3.5Å; F287-F301 HydrophobicContact CZ-CG 4.24Å; F287-F301 PolarHBondContact N-O 2.91Å; F287-F301 PolarHBondContact O-N 2.91Å; F287-N302 WeakPolarHBondContact CE1-O 3.25Å
288C98.1Very high95.3Very high0 Ų023.3 Ų23.30%012%0.118CC..EExtended strand (participates in β ladder)trans-99.7137.5176.1-176.70000110V278 A279 A319 Y321 L328V278-C288 WeakPolarHBondContact CA-O 3.35Å; A279-C288 PolarHBondContact N-O 2.84Å; A279-C288 PolarHBondContact O-N 3.24Å; C288-A319 HydrophobicContact CB-CB 4.3Å; C288-Y321 HydrophobicContact CB-CE2 3.82Å; C288-Y321 WeakPolarHBondContact CB-OH 3.41Å; C288-L328 HydrophobicContact CB-CD2 4.33Å
289V98.4Very high95.3Very high0 Ų023.1 Ų23.10%012%0.116CC..EExtended strand (participates in β ladder)trans-122.7130.8175.5-170.40000109.1L255 L269 I275 V278 F287 Y291 A298 T299 F301L255-V289 HydrophobicContact CD2-CG1 4.19Å; L255-V289 HydrophobicContact CD2-CG2 3.58Å; L269-V289 HydrophobicContact CD2-CG1 4.04Å; I275-V289 HydrophobicContact CG2-CG1 3.97Å; V278-V289 HydrophobicContact CG2-CG1 4.26Å; F287-V289 HydrophobicContact CD2-CG2 3.69Å; F287-V289 HydrophobicContact CE2-CG2 3.79Å; V289-Y291 HydrophobicContact CB-CD1 3.95Å; V289-Y291 HydrophobicContact CB-CE1 4.38Å; V289-Y291 HydrophobicContact CG1-CD1 3.67Å; V289-Y291 HydrophobicContact CG1-CE1 4.49Å; V289-Y291 HydrophobicContact CG1-CG 4.32Å; V289-Y291 WeakPolarHBondContact O-CD1 3.31Å; V289-A298 VanDerWaalsContact O-CA 3.31Å; V289-A298 WeakPolarHBondContact O-CA 3.35Å; V289-T299 PolarHBondContact N-O 3.05Å; V289-T299 PolarHBondContact O-N 3.15Å; V289-T299 VanDerWaalsContact O-N 3.08Å; V289-F301 HydrophobicContact CB-CD2 4.37Å; V289-F301 HydrophobicContact CB-CE2 4.02Å; V289-F301 HydrophobicContact CG2-CD2 3.78Å; V289-F301 HydrophobicContact CG2-CE2 3.85Å
290V97.9Very high95.4Very high0 Ų022.4 Ų22.40%011%0.11CC..EExtended strand (participates in β ladder)trans-107.6116.4172.3-174.50000108.9Y276 D277 A296 K297 A298 R316 A319 L330Y276-V290 HydrophobicContact CD2-CG1 4.39Å; Y276-V290 PolarHBondContact N-O 3.2Å; D277-V290 HydrophobicContact CB-CB 4.41Å; D277-V290 PolarHBondContact N-O 2.76Å; D277-V290 PolarHBondContact O-N 3Å; V290-A296 HydrophobicContact CG1-CB 3.99Å; V290-K297 CarbonylContact C-O 3.59Å; V290-K297 WeakPolarHBondContact CA-O 3.31Å; V290-A298 HydrophobicContact CG2-CB 4.2Å; V290-R316 HydrophobicContact CG1-CB 4.44Å; V290-R316 HydrophobicContact CG1-CG 3.94Å; V290-A319 HydrophobicContact CG2-CB 3.83Å; V290-L330 HydrophobicContact CG2-CD2 4.33Å
291Y96.4Very high95.4Very high2 Ų221.1 Ų21.11%0.00811%0.106CC..EExtended strand (participates in β ladder)trans-153.4166.4-16764.4-87000114.6L269 A270 K271 P274 V289 K297 T299 F301L269-Y291 HydrophobicContact CB-CD2 3.66Å; L269-Y291 HydrophobicContact CB-CE2 3.66Å; L269-Y291 HydrophobicContact CB-CG 4.24Å; L269-Y291 HydrophobicContact CD1-CD2 4.12Å; L269-Y291 HydrophobicContact CD1-CG 3.96Å; L269-Y291 HydrophobicContact CD2-CD1 3.86Å; L269-Y291 HydrophobicContact CD2-CD2 4.26Å; L269-Y291 HydrophobicContact CD2-CE1 3.9Å; L269-Y291 HydrophobicContact CD2-CE2 4.3Å; L269-Y291 HydrophobicContact CD2-CG 4.03Å; L269-Y291 HydrophobicContact CG-CD2 4.22Å; L269-Y291 HydrophobicContact CG-CE2 4.45Å; L269-Y291 HydrophobicContact CG-CG 4.3Å; A270-Y291 PolarHBondContact N-OH 3.36Å; K271-Y291 HydrophobicContact CB-CD2 4.2Å; K271-Y291 HydrophobicContact CB-CE2 3.89Å; P274-Y291 CarbonylContact O-C 3.57Å; P274-Y291 VanDerWaalsContact O-CA 3.24Å; P274-Y291 WeakPolarHBondContact O-CA 3.34Å; V289-Y291 HydrophobicContact CB-CD1 3.95Å; V289-Y291 HydrophobicContact CB-CE1 4.38Å; V289-Y291 HydrophobicContact CG1-CD1 3.67Å; V289-Y291 HydrophobicContact CG1-CE1 4.49Å; V289-Y291 HydrophobicContact CG1-CG 4.32Å; V289-Y291 WeakPolarHBondContact O-CD1 3.31Å; Y291-K297 HydrophobicContact CD2-CB 4.42Å; Y291-K297 HydrophobicContact CE1-CB 4.49Å; Y291-K297 HydrophobicContact CE1-CG 4.48Å; Y291-K297 HydrophobicContact CE2-CB 4.05Å; Y291-K297 HydrophobicContact CE2-CD 4.43Å; Y291-K297 HydrophobicContact CE2-CG 4.3Å; Y291-K297 PolarHBondContact N-O 3.21Å; Y291-K297 PolarHBondContact O-N 2.83Å; Y291-T299 PolarHBondContact OH-OG1 3.02Å; Y291-F301 HydrophobicContact CE1-CE2 4.31Å; Y291-F301 HydrophobicContact CE1-CZ 4.45Å
292G94.1Very high95.4Very high0 Ų022.8 Ų22.80%012%0.115CC..SBendtrans87.3156.1174.800000113.1N272 P274 Y276 M294N272-G292 CarbonylContact O-C 3.2Å; N272-G292 VanDerWaalsContact O-CA 3.26Å; N272-G292 WeakPolarHBondContact O-CA 3.5Å; P274-G292 PolarHBondContact O-N 2.65Å; Y276-G292 VanDerWaalsContact CE2-O 3.3Å; Y276-G292 WeakPolarHBondContact CE2-O 3.39Å; G292-M294 PolarHBondContact O-N 2.77Å
293F91.1Very high95.5Very high118 Ų11824.1 Ų24.152%0.51812%0.12SC..SBendtrans-56.2138.1-176.8-67.5-67.2000112.3K271 N272 P295K271-F293 WeakPolarHBondContact CE-O 3.31Å; K271-F293 PolarHBondContact NZ-O 3.46Å; N272-F293 WeakPolarHBondContact O-CD2 3.34Å; N272-F293 PolarHBondContact O-N 2.86Å; F293-P295 CarbonylContact O-C 3.37Å; F293-P295 VanDerWaalsContact O-O 3.05Å
294M90.7Very high95.7Very high63 Ų6328.6 Ų28.631%0.3114%0.137SC..SBendtrans-53.1134.8-178.4-75.5-69175.800112Y276 G292 A296 R316 N317 L336Y276-M294 HydrophobicContact CD1-CE 4.35Å; Y276-M294 HydrophobicContact CD2-CE 4.03Å; Y276-M294 HydrophobicContact CE1-CE 3.98Å; Y276-M294 HydrophobicContact CE2-CE 3.61Å; Y276-M294 HydrophobicContact CE2-CG 4.43Å; Y276-M294 HydrophobicContact CE2-SD 4.4Å; Y276-M294 HydrophobicContact CG-CE 4.39Å; G292-M294 PolarHBondContact O-N 2.77Å; M294-A296 HydrophobicContact CE-CB 4.3Å; M294-A296 HydrophobicContact SD-CB 4.03Å; M294-R316 WeakPolarHBondContact CE-O 3.46Å; M294-N317 HydrophobicContact CE-CB 3.92Å; M294-L336 HydrophobicContact CE-CD1 3.74Å; M294-L336 HydrophobicContact CE-CD2 4.46Å; M294-L336 HydrophobicContact SD-CD1 4.33Å; M294-L336 HydrophobicContact SD-CD2 4.28Å
295P93.5Very high95.9Very high19 Ų1929.4 Ų29.412%0.12314%0.142CC..SBendcis-65.7126.5-2.5-19.132.9000113K271 F293 G314 H462K271-P295 PolarHBondContact NZ-O 2.51Å; F293-P295 CarbonylContact O-C 3.37Å; F293-P295 VanDerWaalsContact O-O 3.05Å; P295-G314 CarbonylContact C-O 3.53Å; P295-G314 WeakPolarHBondContact CA-O 3.45Å; P295-H462 WeakPolarHBondContact CD-CD2 3.11Å; P295-H462 WeakPolarHBondContact CD-NE2 3.44Å; P295-H462 HydrophobicContact CG-CB 4.29Å
296A95.1Very high96Very high0 Ų030.1 Ų30.10%014%0.143CC..EExtended strand (participates in β ladder)trans-73.1148.2-173.200000112.4Y276 V290 M294 T313 G314 R316Y276-A296 HydrophobicContact CD2-CB 3.85Å; Y276-A296 HydrophobicContact CE2-CB 3.8Å; V290-A296 HydrophobicContact CG1-CB 3.99Å; M294-A296 HydrophobicContact CE-CB 4.3Å; M294-A296 HydrophobicContact SD-CB 4.03Å; A296-T313 CarbonylContact O-C 3.54Å; A296-T313 VanDerWaalsContact O-CA 3.3Å; A296-T313 WeakPolarHBondContact O-CA 3.25Å; A296-G314 PolarHBondContact N-O 3.03Å; A296-G314 PolarHBondContact O-N 3.29Å; A296-R316 HydrophobicContact CB-CG 4.27Å; A296-R316 WeakPolarHBondContact CB-O 3.07Å; A296-R316 PolarHBondContact O-NE 3.3Å
297K96.4Very high96Very high16 Ų1631.5 Ų31.57%0.0716%0.161CC..EExtended strand (participates in β ladder)trans-84.4145.9171.2-167.2150.7-169.9155.20109.8K271 V290 Y291 D310 G312 T313 E465K271-K297 HydrophobicContact CB-CB 4.29Å; K271-K297 HydrophobicContact CB-CD 4.24Å; K271-K297 HydrophobicContact CD-CB 4.15Å; V290-K297 CarbonylContact C-O 3.59Å; V290-K297 WeakPolarHBondContact CA-O 3.31Å; Y291-K297 HydrophobicContact CD2-CB 4.42Å; Y291-K297 HydrophobicContact CE1-CB 4.49Å; Y291-K297 HydrophobicContact CE1-CG 4.48Å; Y291-K297 HydrophobicContact CE2-CB 4.05Å; Y291-K297 HydrophobicContact CE2-CD 4.43Å; Y291-K297 HydrophobicContact CE2-CG 4.3Å; Y291-K297 PolarHBondContact N-O 3.21Å; Y291-K297 PolarHBondContact O-N 2.83Å; K297-D310 WeakPolarHBondContact CE-OD1 3.42Å; K297-D310 WeakPolarHBondContact CE-OD2 3.39Å; K297-D310 IonicContact NZ-OD1 2.76Å; K297-D310 IonicContact NZ-OD2 2.79Å; K297-D310 PolarHBondContact NZ-OD2 3.17Å; K297-G312 VanDerWaalsContact CA-O 3.31Å; K297-G312 WeakPolarHBondContact CA-O 3.41Å; K297-T313 HydrophobicContact CB-CG2 4.35Å; K297-E465 IonicContact NZ-OE1 3.46Å; K297-E465 PolarHBondContact NZ-OE1 2.92Å; K297-E465 IonicContact NZ-OE2 2.66Å; K297-E465 PolarHBondContact NZ-OE2 2.9Å
298A97.8Very high95.9Very high0 Ų033.9 Ų33.90%018%0.176CC..EExtended strand (participates in β ladder)trans-130.9131.3171.100000109.6V289 V290 F311 G312 L330V289-A298 VanDerWaalsContact O-CA 3.31Å; V289-A298 WeakPolarHBondContact O-CA 3.35Å; V290-A298 HydrophobicContact CG2-CB 4.2Å; A298-F311 HydrophobicContact CB-CB 4.25Å; A298-F311 HydrophobicContact CB-CD2 4.09Å; A298-F311 WeakPolarHBondContact O-CB 3.22Å; A298-F311 WeakPolarHBondContact O-CD2 3.45Å; A298-F311 PolarHBondContact O-N 3.39Å; A298-G312 PolarHBondContact N-O 3.18Å; A298-L330 HydrophobicContact CB-CD1 3.83Å; A298-L330 HydrophobicContact CB-CD2 4.1Å
299T97.9Very high95.9Very high3 Ų334.6 Ų34.62%0.01818%0.179CC..EExtended strand (participates in β ladder)trans-141.8136.2-174.1-51.60000109.5V289 Y291 F301 A307 F309V289-T299 PolarHBondContact N-O 3.05Å; V289-T299 PolarHBondContact O-N 3.15Å; V289-T299 VanDerWaalsContact O-N 3.08Å; Y291-T299 PolarHBondContact OH-OG1 3.02Å; T299-F301 HydrophobicContact CG2-CD2 4.26Å; T299-F301 HydrophobicContact CG2-CE1 4.22Å; T299-F301 HydrophobicContact CG2-CE2 3.76Å; T299-F301 HydrophobicContact CG2-CZ 3.74Å; T299-F301 WeakPolarHBondContact O-CD2 3.22Å; T299-A307 HydrophobicContact CG2-CB 3.62Å; T299-F309 CarbonylContact C-O 3.36Å; T299-F309 VanDerWaalsContact CA-O 3.32Å; T299-F309 WeakPolarHBondContact CA-O 3.45Å; T299-F309 WeakPolarHBondContact CG2-O 3.34Å
300V97.8Very high95.8Very high0 Ų035.3 Ų35.30%018%0.183CC..EExtended strand (participates in β ladder)trans-87.4133.6168.5-175.30000108.9E286 F287 A307 V308 F309 F311 Y348E286-V300 HydrophobicContact CB-CG1 3.86Å; E286-V300 HydrophobicContact CG-CG1 4.36Å; F287-V300 CarbonylContact O-C 3.42Å; F287-V300 WeakPolarHBondContact O-CA 3.42Å; V300-A307 CarbonylContact O-C 3.58Å; V300-V308 HydrophobicContact CB-CB 4.41Å; V300-V308 HydrophobicContact CG1-CB 4.35Å; V300-V308 PolarHBondContact O-N 3.06Å; V300-F309 PolarHBondContact N-O 3.41Å; V300-F309 PolarHBondContact O-N 3.41Å; V300-F311 HydrophobicContact CG2-CE2 3.52Å; V300-F311 HydrophobicContact CG2-CZ 3.93Å; V300-Y348 HydrophobicContact CG2-CE1 4.29Å
301F97.9Very high95.6Very high4 Ų435.4 Ų35.42%0.01818%0.183CC..EExtended strand (participates in β ladder)trans-118.6148176.1-63.3-94.1000110.8V267 L269 E286 F287 V289 Y291 T299 E306 A307V267-F301 HydrophobicContact CG1-CD1 4.08Å; V267-F301 HydrophobicContact CG1-CD2 4.42Å; V267-F301 HydrophobicContact CG1-CE1 4.02Å; V267-F301 HydrophobicContact CG1-CE2 4.35Å; V267-F301 HydrophobicContact CG1-CG 4.29Å; V267-F301 HydrophobicContact CG1-CZ 4.15Å; L269-F301 HydrophobicContact CD2-CE2 4.27Å; L269-F301 HydrophobicContact CD2-CZ 4.07Å; E286-F301 CarbonylContact C-O 3.58Å; E286-F301 WeakPolarHBondContact CA-O 3.18Å; E286-F301 WeakPolarHBondContact CB-O 3.43Å; F287-F301 HydrophobicContact CD1-CB 4.43Å; F287-F301 HydrophobicContact CD2-CB 4.17Å; F287-F301 HydrophobicContact CD2-CD2 4.45Å; F287-F301 HydrophobicContact CE1-CB 3.93Å; F287-F301 HydrophobicContact CE2-CB 3.63Å; F287-F301 HydrophobicContact CE2-CD2 4.01Å; F287-F301 HydrophobicContact CE2-CG 4.05Å; F287-F301 HydrophobicContact CZ-CB 3.5Å; F287-F301 HydrophobicContact CZ-CG 4.24Å; F287-F301 PolarHBondContact N-O 2.91Å; F287-F301 PolarHBondContact O-N 2.91Å; V289-F301 HydrophobicContact CB-CD2 4.37Å; V289-F301 HydrophobicContact CB-CE2 4.02Å; V289-F301 HydrophobicContact CG2-CD2 3.78Å; V289-F301 HydrophobicContact CG2-CE2 3.85Å; Y291-F301 HydrophobicContact CE1-CE2 4.31Å; Y291-F301 HydrophobicContact CE1-CZ 4.45Å; T299-F301 HydrophobicContact CG2-CD2 4.26Å; T299-F301 HydrophobicContact CG2-CE1 4.22Å; T299-F301 HydrophobicContact CG2-CE2 3.76Å; T299-F301 HydrophobicContact CG2-CZ 3.74Å; T299-F301 WeakPolarHBondContact O-CD2 3.22Å; F301-E306 VanDerWaalsContact CA-O 3.22Å; F301-E306 WeakPolarHBondContact CA-O 3.48Å; F301-A307 HydrophobicContact CD1-CB 4.29Å; F301-A307 HydrophobicContact CE1-CB 4.07Å
302N96.4Very high95.6Very high36 Ų3635.3 Ų35.319%0.19318%0.183CC..EExtended strand (participates in β ladder)trans-84.717817168.515.8000111.3F287 K304 C305 E306 V308F287-N302 WeakPolarHBondContact CE1-O 3.25Å; N302-K304 PolarHBondContact O-N 3.35Å; N302-K304 WeakPolarHBondContact OD1-CA 3.46Å; N302-K304 WeakPolarHBondContact OD1-CB 3.36Å; N302-K304 PolarHBondContact OD1-N 2.9Å; N302-C305 WeakPolarHBondContact O-CA 3.34Å; N302-C305 PolarHBondContact O-N 3.49Å; N302-C305 PolarHBondContact OD1-N 2.93Å; N302-C305 VanDerWaalsContact OD1-N 3.17Å; N302-E306 PolarHBondContact N-O 2.95Å; N302-E306 PolarHBondContact ND2-OE2 2.86Å; N302-E306 PolarHBondContact OD1-N 3.04Å; N302-V308 HydrophobicContact CB-CG2 3.77Å
303L95.3Very high95.6Very high48 Ų4836.1 Ų36.125%0.25119%0.188SC..THydrogen-bonded Turntrans-61.6-21.9177.1-59.2-176.1000114.2Y257 W280 L285 C305Y257-L303 HydrophobicContact CE2-CD2 4.14Å; W280-L303 HydrophobicContact CH2-CD2 4.07Å; W280-L303 HydrophobicContact CZ3-CD2 3.81Å; L285-L303 HydrophobicContact CD2-CD1 4.35Å; L285-L303 WeakPolarHBondContact O-CG 3.19Å; L285-L303 PolarHBondContact O-N 2.89Å; L303-C305 PolarHBondContact O-N 2.98Å
304K94.9Very high95.7Very high158 Ų15830.6 Ų30.669%0.68716%0.164SC*.THydrogen-bonded Turntrans-81.23.1173.3-60.7-178.1178.1-179.70112.9N302 E306N302-K304 PolarHBondContact O-N 3.35Å; N302-K304 WeakPolarHBondContact OD1-CA 3.46Å; N302-K304 WeakPolarHBondContact OD1-CB 3.36Å; N302-K304 PolarHBondContact OD1-N 2.9Å; K304-E306 HydrophobicContact CB-CG 4.07Å; K304-E306 PolarHBondContact O-N 3Å
305C96.4Very high95.9Very high17 Ų1729.7 Ų29.712%0.11516%0.163CC..SBendtrans63.127.7-176-53.60000113.5Y257 A265 V267 N302 L303Y257-C305 WeakPolarHBondContact CB-SG 3.35Å; A265-C305 HydrophobicContact CB-CB 4.4Å; V267-C305 HydrophobicContact CG2-CB 4.13Å; N302-C305 WeakPolarHBondContact O-CA 3.34Å; N302-C305 PolarHBondContact O-N 3.49Å; N302-C305 PolarHBondContact OD1-N 2.93Å; N302-C305 VanDerWaalsContact OD1-N 3.17Å; L303-C305 PolarHBondContact O-N 2.98Å
306E96.1Very high96Very high109 Ų10929 Ų2951%0.50916%0.158SC..  trans-94.7140.5174.2-58166.4152.800109.8F301 N302 K304 V308F301-E306 VanDerWaalsContact CA-O 3.22Å; F301-E306 WeakPolarHBondContact CA-O 3.48Å; N302-E306 PolarHBondContact N-O 2.95Å; N302-E306 PolarHBondContact ND2-OE2 2.86Å; N302-E306 PolarHBondContact OD1-N 3.04Å; K304-E306 HydrophobicContact CB-CG 4.07Å; K304-E306 PolarHBondContact O-N 3Å; E306-V308 PolarHBondContact O-N 2.97Å
307A96.5Very high96Very high69 Ų6930.8 Ų30.857%0.5717%0.167SC*.EExtended strand (participates in β ladder)trans-69118.6178.600000110.8T299 V300 F301T299-A307 HydrophobicContact CG2-CB 3.62Å; V300-A307 CarbonylContact O-C 3.58Å; F301-A307 HydrophobicContact CD1-CB 4.29Å; F301-A307 HydrophobicContact CE1-CB 4.07Å
308V95.8Very high96.1Very high50 Ų5030.3 Ų30.330%0.30317%0.166SC..EExtended strand (participates in β ladder)trans-85.9-47.5176.6179.90000110.6V300 N302 E306 Y348V300-V308 HydrophobicContact CB-CB 4.41Å; V300-V308 HydrophobicContact CG1-CB 4.35Å; V300-V308 PolarHBondContact O-N 3.06Å; N302-V308 HydrophobicContact CB-CG2 3.77Å; E306-V308 PolarHBondContact O-N 2.97Å; V308-Y348 WeakPolarHBondContact CG1-OH 3.46Å
309F96.6Very high96.1Very high14 Ų1430.5 Ų30.56%0.06117%0.168CC..EExtended strand (participates in β ladder)trans-148.5134.7179.9-170-96.4000111.7T299 V300 F311 Y348 P467 Q468 N469T299-F309 CarbonylContact C-O 3.36Å; T299-F309 VanDerWaalsContact CA-O 3.32Å; T299-F309 WeakPolarHBondContact CA-O 3.45Å; T299-F309 WeakPolarHBondContact CG2-O 3.34Å; V300-F309 PolarHBondContact N-O 3.41Å; V300-F309 PolarHBondContact O-N 3.41Å; F309-F311 AromaticContact CD1-CD1 3.73Å; F309-F311 HydrophobicContact CD1-CD1 3.73Å; F309-F311 HydrophobicContact CD1-CD2 4.24Å; F309-F311 AromaticContact CD1-CE1 3.59Å; F309-F311 HydrophobicContact CD1-CE1 3.59Å; F309-F311 HydrophobicContact CD1-CE2 4.17Å; F309-F311 HydrophobicContact CD1-CG 4.03Å; F309-F311 AromaticContact CD1-CZ 3.82Å; F309-F311 HydrophobicContact CD1-CZ 3.82Å; F309-F311 AromaticContact CE1-CD1 3.48Å; F309-F311 HydrophobicContact CE1-CD1 3.48Å; F309-F311 VanDerWaalsContact CE1-CD1 3.48Å; F309-F311 AromaticContact CE1-CE1 3.62Å; F309-F311 HydrophobicContact CE1-CE1 3.62Å; F309-F311 HydrophobicContact CE1-CG 4.05Å; F309-F311 HydrophobicContact CE1-CZ 4.32Å; F309-Y348 HydrophobicContact CB-CD1 3.76Å; F309-Y348 HydrophobicContact CB-CD2 4.27Å; F309-Y348 HydrophobicContact CB-CE1 3.56Å; F309-Y348 HydrophobicContact CB-CE2 4.07Å; F309-Y348 HydrophobicContact CB-CG 4.11Å; F309-Y348 AromaticContact CD1-CD1 3.55Å; F309-Y348 HydrophobicContact CD1-CD1 3.55Å; F309-Y348 HydrophobicContact CD1-CE1 4.14Å; F309-Y348 AromaticContact CD1-CG 3.94Å; F309-Y348 HydrophobicContact CD1-CG 3.94Å; F309-Y348 HydrophobicContact CD2-CD1 4Å; F309-Y348 AromaticContact CD2-CD2 3.84Å; F309-Y348 HydrophobicContact CD2-CD2 3.84Å; F309-Y348 HydrophobicContact CD2-CE2 4.41Å; F309-Y348 AromaticContact CD2-CG 3.6Å; F309-Y348 HydrophobicContact CD2-CG 3.6Å; F309-Y348 HydrophobicContact CE1-CD1 4.12Å; F309-Y348 HydrophobicContact CE1-CG 4.26Å; F309-Y348 HydrophobicContact CE2-CD2 4.41Å; F309-Y348 AromaticContact CE2-CG 3.94Å; F309-Y348 HydrophobicContact CE2-CG 3.94Å; F309-Y348 AromaticContact CG-CD1 3.47Å; F309-Y348 HydrophobicContact CG-CD1 3.47Å; F309-Y348 VanDerWaalsContact CG-CD1 3.47Å; F309-Y348 HydrophobicContact CG-CD2 4.06Å; F309-Y348 AromaticContact CG-CE1 3.85Å; F309-Y348 HydrophobicContact CG-CE1 3.85Å; F309-Y348 HydrophobicContact CG-CE2 4.37Å; F309-Y348 AromaticContact CG-CG 3.59Å; F309-Y348 HydrophobicContact CG-CG 3.59Å; F309-Y348 HydrophobicContact CZ-CG 4.26Å; F309-P467 HydrophobicContact CZ-CB 4.49Å; F309-Q468 HydrophobicContact CD2-CB 4.35Å; F309-Q468 HydrophobicContact CE2-CB 3.96Å; F309-Q468 HydrophobicContact CZ-CB 4.25Å; F309-N469 HydrophobicContact CE2-CB 4.09Å; F309-N469 HydrophobicContact CZ-CB 4.14Å
310D96.3Very high96.1Very high16 Ų1633.3 Ų33.39%0.08618%0.179CC..EExtended strand (participates in β ladder)trans-108.8115.3179.1176.9-5.8000110.7K297 G312 Q468 R471K297-D310 WeakPolarHBondContact CE-OD1 3.42Å; K297-D310 WeakPolarHBondContact CE-OD2 3.39Å; K297-D310 IonicContact NZ-OD1 2.76Å; K297-D310 IonicContact NZ-OD2 2.79Å; K297-D310 PolarHBondContact NZ-OD2 3.17Å; D310-G312 PolarHBondContact O-N 2.95Å; D310-G312 WeakPolarHBondContact OD1-CA 3.42Å; D310-G312 PolarHBondContact OD1-N 2.95Å; D310-Q468 HydrophobicContact CB-CB 4.34Å; D310-Q468 WeakPolarHBondContact O-CB 3.38Å; D310-Q468 PolarHBondContact O-N 2.7Å; D310-R471 IonicContact OD1-NH2 2.63Å; D310-R471 PolarHBondContact OD1-NH2 2.87Å; D310-R471 IonicContact OD2-CZ 2.74Å; D310-R471 VanDerWaalsContact OD2-CZ 3.24Å; D310-R471 IonicContact OD2-NH1 2.94Å; D310-R471 PolarHBondContact OD2-NH1 3.14Å; D310-R471 IonicContact OD2-NH2 2.83Å; D310-R471 PolarHBondContact OD2-NH2 2.91Å
311F95.8Very high96.1Very high2 Ų234.3 Ų34.31%0.00918%0.183CC..EExtended strand (participates in β ladder)trans-80.16.3179.7-61-81.5000113.5A298 V300 F309 R316 L328 L330 W343 Y348A298-F311 HydrophobicContact CB-CB 4.25Å; A298-F311 HydrophobicContact CB-CD2 4.09Å; A298-F311 WeakPolarHBondContact O-CB 3.22Å; A298-F311 WeakPolarHBondContact O-CD2 3.45Å; A298-F311 PolarHBondContact O-N 3.39Å; V300-F311 HydrophobicContact CG2-CE2 3.52Å; V300-F311 HydrophobicContact CG2-CZ 3.93Å; F309-F311 AromaticContact CD1-CD1 3.73Å; F309-F311 HydrophobicContact CD1-CD1 3.73Å; F309-F311 HydrophobicContact CD1-CD2 4.24Å; F309-F311 AromaticContact CD1-CE1 3.59Å; F309-F311 HydrophobicContact CD1-CE1 3.59Å; F309-F311 HydrophobicContact CD1-CE2 4.17Å; F309-F311 HydrophobicContact CD1-CG 4.03Å; F309-F311 AromaticContact CD1-CZ 3.82Å; F309-F311 HydrophobicContact CD1-CZ 3.82Å; F309-F311 AromaticContact CE1-CD1 3.48Å; F309-F311 HydrophobicContact CE1-CD1 3.48Å; F309-F311 VanDerWaalsContact CE1-CD1 3.48Å; F309-F311 AromaticContact CE1-CE1 3.62Å; F309-F311 HydrophobicContact CE1-CE1 3.62Å; F309-F311 HydrophobicContact CE1-CG 4.05Å; F309-F311 HydrophobicContact CE1-CZ 4.32Å; F311-R316 VanDerWaalsContact C-NH2 3.31Å; F311-R316 PolarHBondContact O-NH2 3.02Å; F311-L328 HydrophobicContact CE2-CD2 3.66Å; F311-L328 HydrophobicContact CZ-CD2 3.56Å; F311-L330 HydrophobicContact CB-CD1 3.82Å; F311-L330 HydrophobicContact CD1-CD1 4.02Å; F311-L330 HydrophobicContact CD2-CD1 3.75Å; F311-L330 HydrophobicContact CE2-CD1 4.27Å; F311-L330 HydrophobicContact CG-CD1 3.61Å; F311-W343 AromaticContact CD1-CD2 3.7Å; F311-W343 HydrophobicContact CD1-CD2 3.7Å; F311-W343 AromaticContact CD1-CE2 3.69Å; F311-W343 HydrophobicContact CD1-CE3 4Å; F311-W343 HydrophobicContact CD1-CG 4.14Å; F311-W343 HydrophobicContact CD1-CH2 4.34Å; F311-W343 HydrophobicContact CD1-CZ2 4.04Å; F311-W343 HydrophobicContact CD1-CZ3 4.3Å; F311-W343 HydrophobicContact CE1-CB 4.17Å; F311-W343 AromaticContact CE1-CD2 3.61Å; F311-W343 HydrophobicContact CE1-CD2 3.61Å; F311-W343 AromaticContact CE1-CE3 3.84Å; F311-W343 HydrophobicContact CE1-CE3 3.84Å; F311-W343 AromaticContact CE1-CG 3.75Å; F311-W343 HydrophobicContact CE1-CG 3.75Å; F311-W343 HydrophobicContact CE1-CZ3 4.5Å; F311-Y348 HydrophobicContact CE1-CD1 4.27Å; F311-Y348 HydrophobicContact CZ-CD1 4.16Å; F311-Y348 HydrophobicContact CZ-CE1 4.39Å
312G94.4Very high96Very high0 Ų034.1 Ų34.10%018%0.182CC..EExtended strand (participates in β ladder)trans78.3-150-17800000112.9K297 A298 D310 R316 E465K297-G312 VanDerWaalsContact CA-O 3.31Å; K297-G312 WeakPolarHBondContact CA-O 3.41Å; A298-G312 PolarHBondContact N-O 3.18Å; D310-G312 PolarHBondContact O-N 2.95Å; D310-G312 WeakPolarHBondContact OD1-CA 3.42Å; D310-G312 PolarHBondContact OD1-N 2.95Å; G312-R316 PolarHBondContact O-NH2 2.8Å; G312-E465 CarbonylContact C-O 3.39Å; G312-E465 WeakPolarHBondContact CA-O 3.17Å
313T94.7Very high95.9Very high17 Ų1734.9 Ų34.910%0.10419%0.188CC..EExtended strand (participates in β ladder)trans-117.8141.2175.761.20000111.4K271 A296 K297 E464 E465K271-T313 HydrophobicContact CD-CG2 4.42Å; A296-T313 CarbonylContact O-C 3.54Å; A296-T313 VanDerWaalsContact O-CA 3.3Å; A296-T313 WeakPolarHBondContact O-CA 3.25Å; K297-T313 HydrophobicContact CB-CG2 4.35Å; T313-E464 WeakPolarHBondContact OG1-CA 3.48Å; T313-E465 HydrophobicContact CG2-CB 4.09Å; T313-E465 PolarHBondContact N-O 2.81Å; T313-E465 PolarHBondContact OG1-N 2.87Å
314G94.1Very high95.8Very high2 Ų234.7 Ų34.72%0.02119%0.186CC..EExtended strand (participates in β ladder)trans-161.1173.2177.800000112.7P295 A296 R316P295-G314 CarbonylContact C-O 3.53Å; P295-G314 WeakPolarHBondContact CA-O 3.45Å; A296-G314 PolarHBondContact N-O 3.03Å; A296-G314 PolarHBondContact O-N 3.29Å; G314-R316 PolarHBondContact O-N 2.76Å
315P94.1Very high95.7Very high43 Ų4327.7 Ų27.728%0.27916%0.159SC..SBendtrans-77.272.2177.533.2-35.6000110.5G332 L336 K339P315-G332 WeakPolarHBondContact O-CA 3.36Å; P315-L336 HydrophobicContact CB-CD2 4.21Å; P315-K339 HydrophobicContact CG-CD 4.27Å
316R95.1Very high95.6Very high5 Ų527.1 Ų27.12%0.01916%0.155CC..  trans-129.6142.5-176.454.6-173.4152.9-145-2.1111.7V290 M294 A296 F311 G312 G314 L330 A331 E341V290-R316 HydrophobicContact CG1-CB 4.44Å; V290-R316 HydrophobicContact CG1-CG 3.94Å; M294-R316 WeakPolarHBondContact CE-O 3.46Å; A296-R316 HydrophobicContact CB-CG 4.27Å; A296-R316 WeakPolarHBondContact CB-O 3.07Å; A296-R316 PolarHBondContact O-NE 3.3Å; F311-R316 VanDerWaalsContact C-NH2 3.31Å; F311-R316 PolarHBondContact O-NH2 3.02Å; G312-R316 PolarHBondContact O-NH2 2.8Å; G314-R316 PolarHBondContact O-N 2.76Å; R316-L330 VanDerWaalsContact NH1-CD1 3.29Å; R316-A331 CarbonylContact C-O 3.4Å; R316-A331 WeakPolarHBondContact CA-O 3.21Å; R316-E341 IonicContact NH1-OE2 3.66Å; R316-E341 PolarHBondContact NH1-OE2 3.32Å
317N96.6Very high95.6Very high37 Ų3722 Ų2220%0.19813%0.13CC..  trans-135.51.4176.560.9-1.1000113.4Y276 M294 A331 G332 F333 L336Y276-N317 WeakPolarHBondContact CB-O 3.46Å; Y276-N317 HydrophobicContact CD1-CB 4.25Å; Y276-N317 HydrophobicContact CG-CB 4.12Å; M294-N317 HydrophobicContact CE-CB 3.92Å; N317-A331 PolarHBondContact N-O 2.82Å; N317-A331 PolarHBondContact OD1-O 2.89Å; N317-G332 WeakPolarHBondContact OD1-CA 3.25Å; N317-F333 PolarHBondContact ND2-O 3.24Å; N317-F333 PolarHBondContact OD1-N 2.92Å; N317-L336 HydrophobicContact CB-CD1 4.03Å
318A97.3Very high95.7Very high6 Ų618.7 Ų18.75%0.0510%0.103CC..EExtended strand (participates in β ladder)trans-145.7151.4-178.900000112.1D277 Y320 A331D277-A318 WeakPolarHBondContact OD2-CA 3.36Å; A318-Y320 HydrophobicContact CB-CD2 4.37Å; A318-Y320 HydrophobicContact CB-CE2 3.43Å; A318-Y320 VanDerWaalsContact CB-CE2 3.43Å; A318-Y320 WeakPolarHBondContact CB-OH 3.4Å; A318-A331 PolarHBondContact N-O 3.45Å; A318-A331 PolarHBondContact O-N 3.26Å
319A97.9Very high95.8Very high4 Ų416.3 Ų16.33%0.0339%0.089CC..EExtended strand (participates in β ladder)trans-131.5126.4177.700000110.7D277 A279 C288 V290 L328 V329 L330D277-A319 PolarHBondContact OD2-N 2.86Å; A279-A319 HydrophobicContact CB-CB 4.21Å; A279-A319 WeakPolarHBondContact CB-O 3.22Å; C288-A319 HydrophobicContact CB-CB 4.3Å; V290-A319 HydrophobicContact CG2-CB 3.83Å; A319-L328 HydrophobicContact CB-CD1 4.27Å; A319-V329 WeakPolarHBondContact CA-O 3.37Å; A319-L330 HydrophobicContact CB-CD2 3.84Å
320Y97.8Very high95.8Very high63 Ų6315.7 Ų15.725%0.2479%0.086CC..EExtended strand (participates in β ladder)trans-128.9112-177.1-54.2-80.7000111.3A318 V329 A331 F333 F362 W364A318-Y320 HydrophobicContact CB-CD2 4.37Å; A318-Y320 HydrophobicContact CB-CE2 3.43Å; A318-Y320 VanDerWaalsContact CB-CE2 3.43Å; A318-Y320 WeakPolarHBondContact CB-OH 3.4Å; Y320-V329 PolarHBondContact N-O 2.82Å; Y320-V329 PolarHBondContact O-N 2.92Å; Y320-A331 HydrophobicContact CD2-CB 4.48Å; Y320-A331 HydrophobicContact CE2-CB 4.16Å; Y320-F333 HydrophobicContact CE2-CD2 4.26Å; Y320-F333 AromaticContact CE2-CE2 3.8Å; Y320-F333 HydrophobicContact CE2-CE2 3.8Å; Y320-F362 AromaticContact CD1-CD1 3.55Å; Y320-F362 HydrophobicContact CD1-CD1 3.55Å; Y320-F362 HydrophobicContact CD1-CE1 4.01Å; Y320-F362 HydrophobicContact CD1-CG 4.43Å; Y320-F362 HydrophobicContact CD2-CB 4.39Å; Y320-F362 AromaticContact CD2-CD1 3.53Å; Y320-F362 HydrophobicContact CD2-CD1 3.53Å; Y320-F362 HydrophobicContact CD2-CD2 4.36Å; Y320-F362 AromaticContact CD2-CE1 3.83Å; Y320-F362 HydrophobicContact CD2-CE1 3.83Å; Y320-F362 AromaticContact CD2-CG 3.85Å; Y320-F362 HydrophobicContact CD2-CG 3.85Å; Y320-F362 HydrophobicContact CD2-CZ 4.33Å; Y320-F362 HydrophobicContact CE1-CB 4.3Å; Y320-F362 AromaticContact CE1-CD1 3.9Å; Y320-F362 HydrophobicContact CE1-CD1 3.9Å; Y320-F362 HydrophobicContact CE1-CG 4.44Å; Y320-F362 HydrophobicContact CE2-CB 3.89Å; Y320-F362 AromaticContact CE2-CD1 3.88Å; Y320-F362 HydrophobicContact CE2-CD1 3.88Å; Y320-F362 AromaticContact CE2-CG 3.85Å; Y320-F362 HydrophobicContact CE2-CG 3.85Å; Y320-F362 AromaticContact CG-CD1 3.34Å; Y320-F362 HydrophobicContact CG-CD1 3.34Å; Y320-F362 AromaticContact CG-CE1 3.47Å; Y320-F362 HydrophobicContact CG-CE1 3.47Å; Y320-F362 VanDerWaalsContact CG-CE1 3.47Å; Y320-F362 HydrophobicContact CG-CG 4.14Å; Y320-F362 HydrophobicContact CG-CZ 4.31Å; Y320-W364 PolarHBondContact O-NE1 2.86Å
321Y97.2Very high95.9Very high21 Ų2114.9 Ų14.98%0.0828%0.082CC..EExtended strand (participates in β ladder)trans-77.6139169.4-74.9-82.2000110.8A279 W280 C288 I327 L328 V345 W364A279-Y321 HydrophobicContact CB-CD2 4.04Å; A279-Y321 HydrophobicContact CB-CE2 4.16Å; A279-Y321 WeakPolarHBondContact O-CE2 3.32Å; W280-Y321 WeakPolarHBondContact O-CD2 3.48Å; C288-Y321 HydrophobicContact CB-CE2 3.82Å; C288-Y321 WeakPolarHBondContact CB-OH 3.41Å; Y321-I327 WeakPolarHBondContact CA-O 3.36Å; Y321-L328 HydrophobicContact CD1-CB 4.24Å; Y321-L328 HydrophobicContact CD1-CD1 4.05Å; Y321-L328 HydrophobicContact CD2-CD1 4.04Å; Y321-L328 HydrophobicContact CE1-CB 4.16Å; Y321-L328 HydrophobicContact CE1-CD1 4.01Å; Y321-L328 HydrophobicContact CE1-CD2 4.41Å; Y321-L328 HydrophobicContact CE1-CG 4.42Å; Y321-L328 HydrophobicContact CE2-CD1 3.98Å; Y321-L328 HydrophobicContact CG-CD1 4.08Å; Y321-V345 HydrophobicContact CD1-CG2 4.41Å; Y321-V345 HydrophobicContact CE1-CG2 4.14Å; Y321-W364 VanDerWaalsContact C-NE1 3.34Å; Y321-W364 PolarHBondContact O-NE1 3.14Å
322S96.1Very high95.9Very high0 Ų014.8 Ų14.80%08%0.082CC..  trans-55.6151.7164.6590000110.2P282 Q324 G325 H326 I327P282-S322 WeakPolarHBondContact CG-O 3.46Å; S322-Q324 PolarHBondContact O-N 2.85Å; S322-Q324 VanDerWaalsContact O-N 3.12Å; S322-G325 WeakPolarHBondContact O-CA 3.14Å; S322-G325 PolarHBondContact O-N 2.82Å; S322-G325 PolarHBondContact OG-N 2.9Å; S322-H326 PolarHBondContact OG-N 2.95Å; S322-H326 VanDerWaalsContact OG-N 3.15Å; S322-H326 PolarHBondContact OG-ND1 3.01Å; S322-I327 PolarHBondContact N-O 3.27Å; S322-I327 PolarHBondContact OG-N 2.94Å; S322-I327 PolarHBondContact OG-O 3.31Å
323P94.3Very high95.9Very high51 Ų5115.1 Ų15.133%0.3318%0.083SC..THydrogen-bonded Turntrans-53-35.9-180-2735.4000113.9P282 W364P282-P323 WeakPolarHBondContact CB-O 3.35Å; P323-W364 HydrophobicContact CG-CB 4.1Å
324Q93.7Very high95.7Very high44 Ų4415.6 Ų15.621%0.2069%0.091CC..THydrogen-bonded Turntrans-86.8-6.8178.9-52.174.79.800112.9S322 H326 P366 D367 G368 E422S322-Q324 PolarHBondContact O-N 2.85Å; S322-Q324 VanDerWaalsContact O-N 3.12Å; Q324-H326 PolarHBondContact O-N 2.81Å; Q324-P366 PolarHBondContact NE2-O 2.88Å; Q324-D367 PolarHBondContact NE2-O 3.34Å; Q324-G368 VanDerWaalsContact OE1-CA 3.26Å; Q324-E422 HydrophobicContact CB-CB 4.37Å; Q324-E422 HydrophobicContact CB-CG 4.39Å
325G93.5Very high95.4Very high11 Ų1123.9 Ų23.911%0.11314%0.135CC..SBendtrans80.96.6173.300000117S322S322-G325 WeakPolarHBondContact O-CA 3.14Å; S322-G325 PolarHBondContact O-N 2.82Å; S322-G325 PolarHBondContact OG-N 2.9Å
326H93.4Very high95.4Very high6 Ų623.6 Ų23.63%0.02813%0.131CC..SBendtrans-88.6-21.6-176.363.7-62.7000113.9S322 Q324 V345 E422S322-H326 PolarHBondContact OG-N 2.95Å; S322-H326 VanDerWaalsContact OG-N 3.15Å; S322-H326 PolarHBondContact OG-ND1 3.01Å; Q324-H326 PolarHBondContact O-N 2.81Å; H326-V345 PolarHBondContact O-N 2.75Å; H326-E422 HydrophobicContact CB-CG 4.01Å
327I96.6Very high95.2Very high0 Ų033.4 Ų33.40%017%0.168CC..EExtended strand (participates in β ladder)trans-118.3139.6176.1-59.5169.4000109.9Y321 S322 V329 V342 W343 W364 Y391 I425Y321-I327 WeakPolarHBondContact CA-O 3.36Å; S322-I327 PolarHBondContact N-O 3.27Å; S322-I327 PolarHBondContact OG-N 2.94Å; S322-I327 PolarHBondContact OG-O 3.31Å; I327-V329 HydrophobicContact CG2-CG2 4.43Å; I327-V342 HydrophobicContact CG2-CG1 3.48Å; I327-V342 VanDerWaalsContact CG2-CG1 3.48Å; I327-W343 WeakPolarHBondContact CA-O 3.13Å; I327-W364 HydrophobicContact CB-CH2 4.11Å; I327-W364 HydrophobicContact CB-CZ2 4.3Å; I327-W364 HydrophobicContact CD1-CH2 4.4Å; I327-W364 HydrophobicContact CG2-CH2 3.77Å; I327-W364 HydrophobicContact CG2-CZ2 3.91Å; I327-Y391 HydrophobicContact CD1-CD1 3.82Å; I327-Y391 HydrophobicContact CD1-CD2 3.85Å; I327-Y391 HydrophobicContact CD1-CE1 4.05Å; I327-Y391 HydrophobicContact CD1-CE2 4.07Å; I327-Y391 HydrophobicContact CD1-CG 3.73Å; I327-I425 HydrophobicContact CD1-CG1 4.34Å; I327-I425 HydrophobicContact CG1-CD1 3.91Å; I327-I425 HydrophobicContact CG1-CG1 4.08Å
328L97.6Very high95Very high0 Ų031.7 Ų31.70%016%0.159CC..EExtended strand (participates in β ladder)trans-120.1129.2171.3174.464.6000109.7C288 F311 A319 Y321 L330 W343 V345C288-L328 HydrophobicContact CB-CD2 4.33Å; F311-L328 HydrophobicContact CE2-CD2 3.66Å; F311-L328 HydrophobicContact CZ-CD2 3.56Å; A319-L328 HydrophobicContact CB-CD1 4.27Å; Y321-L328 HydrophobicContact CD1-CB 4.24Å; Y321-L328 HydrophobicContact CD1-CD1 4.05Å; Y321-L328 HydrophobicContact CD2-CD1 4.04Å; Y321-L328 HydrophobicContact CE1-CB 4.16Å; Y321-L328 HydrophobicContact CE1-CD1 4.01Å; Y321-L328 HydrophobicContact CE1-CD2 4.41Å; Y321-L328 HydrophobicContact CE1-CG 4.42Å; Y321-L328 HydrophobicContact CE2-CD1 3.98Å; Y321-L328 HydrophobicContact CG-CD1 4.08Å; L328-L330 HydrophobicContact CD1-CD2 4.45Å; L328-L330 HydrophobicContact CD2-CD2 4.18Å; L328-L330 HydrophobicContact CD2-CG 4.49Å; L328-L330 HydrophobicContact CG-CD2 4.25Å; L328-L330 HydrophobicContact CG-CG 4.45Å; L328-W343 PolarHBondContact N-O 2.9Å; L328-W343 PolarHBondContact O-N 2.9Å; L328-V345 HydrophobicContact CB-CG2 3.57Å
329V98.2Very high94.9Very high0 Ų034.8 Ų34.80%017%0.171CC..EExtended strand (participates in β ladder)trans-108.4118.5173.8177.50000109.3A319 Y320 I327 A331 M340 E341 V342 F362 W364A319-V329 WeakPolarHBondContact CA-O 3.37Å; Y320-V329 PolarHBondContact N-O 2.82Å; Y320-V329 PolarHBondContact O-N 2.92Å; I327-V329 HydrophobicContact CG2-CG2 4.43Å; V329-A331 HydrophobicContact CG1-CB 4.45Å; V329-M340 HydrophobicContact CG1-CB 4.16Å; V329-M340 HydrophobicContact CG1-CG 4.46Å; V329-E341 WeakPolarHBondContact CA-O 3.14Å; V329-V342 HydrophobicContact CG2-CB 4.46Å; V329-V342 HydrophobicContact CG2-CG1 4.2Å; V329-V342 HydrophobicContact CG2-CG2 4.06Å; V329-F362 HydrophobicContact CB-CE2 4.43Å; V329-F362 HydrophobicContact CB-CZ 4.14Å; V329-F362 HydrophobicContact CG1-CE2 3.96Å; V329-F362 HydrophobicContact CG1-CZ 4.17Å; V329-F362 HydrophobicContact CG2-CZ 4.23Å; V329-W364 HydrophobicContact CG2-CH2 4.2Å; V329-W364 HydrophobicContact CG2-CZ2 3.52Å
330L98Very high94.8Very high1 Ų134.6 Ų34.61%0.00517%0.169CC..EExtended strand (participates in β ladder)trans-97.4120.7170.1-59.8176.4000108.3V290 A298 F311 R316 A319 L328 M340 E341V290-L330 HydrophobicContact CG2-CD2 4.33Å; A298-L330 HydrophobicContact CB-CD1 3.83Å; A298-L330 HydrophobicContact CB-CD2 4.1Å; F311-L330 HydrophobicContact CB-CD1 3.82Å; F311-L330 HydrophobicContact CD1-CD1 4.02Å; F311-L330 HydrophobicContact CD2-CD1 3.75Å; F311-L330 HydrophobicContact CE2-CD1 4.27Å; F311-L330 HydrophobicContact CG-CD1 3.61Å; R316-L330 VanDerWaalsContact NH1-CD1 3.29Å; A319-L330 HydrophobicContact CB-CD2 3.84Å; L328-L330 HydrophobicContact CD1-CD2 4.45Å; L328-L330 HydrophobicContact CD2-CD2 4.18Å; L328-L330 HydrophobicContact CD2-CG 4.49Å; L328-L330 HydrophobicContact CG-CD2 4.25Å; L328-L330 HydrophobicContact CG-CG 4.45Å; L330-M340 CarbonylContact O-C 3.43Å; L330-M340 WeakPolarHBondContact O-CA 3.39Å; L330-E341 HydrophobicContact CB-CB 4.39Å; L330-E341 PolarHBondContact N-O 2.63Å; L330-E341 PolarHBondContact O-N 2.89Å
331A97.3Very high94.7Very high0 Ų032.5 Ų32.50%016%0.162CC..EExtended strand (participates in β ladder)trans-127.8153.5-172.800000112.7R316 N317 A318 Y320 V329 F333 K339 M340R316-A331 CarbonylContact C-O 3.4Å; R316-A331 WeakPolarHBondContact CA-O 3.21Å; N317-A331 PolarHBondContact N-O 2.82Å; N317-A331 PolarHBondContact OD1-O 2.89Å; A318-A331 PolarHBondContact N-O 3.45Å; A318-A331 PolarHBondContact O-N 3.26Å; Y320-A331 HydrophobicContact CD2-CB 4.48Å; Y320-A331 HydrophobicContact CE2-CB 4.16Å; V329-A331 HydrophobicContact CG1-CB 4.45Å; A331-F333 HydrophobicContact CB-CD2 3.84Å; A331-F333 HydrophobicContact CB-CE1 4.26Å; A331-F333 HydrophobicContact CB-CE2 3.3Å; A331-F333 HydrophobicContact CB-CZ 3.55Å; A331-K339 WeakPolarHBondContact CA-O 3.29Å; A331-M340 HydrophobicContact CB-CG 4Å
332G96.3Very high94.7Very high0 Ų031.5 Ų31.50%016%0.158CC..  trans-120.397.2172.100000111.7P315 N317 L336 G338 K339P315-G332 WeakPolarHBondContact O-CA 3.36Å; N317-G332 WeakPolarHBondContact OD1-CA 3.25Å; G332-L336 VanDerWaalsContact C-CB 3.47Å; G332-L336 VanDerWaalsContact CA-CD1 3.44Å; G332-L336 VanDerWaalsContact O-CB 3.31Å; G332-L336 WeakPolarHBondContact O-CB 3.32Å; G332-G338 WeakPolarHBondContact O-CA 3.37Å; G332-G338 PolarHBondContact O-N 2.79Å; G332-K339 PolarHBondContact N-O 3.35Å
333F94.4Very high94.7Very high7 Ų731.6 Ų31.63%0.03116%0.158CC..  trans-108.7165.3-175.5-67.6-46.3000114.2N317 Y320 A331 N335 M340 A356 A359 F362 T373N317-F333 PolarHBondContact ND2-O 3.24Å; N317-F333 PolarHBondContact OD1-N 2.92Å; Y320-F333 HydrophobicContact CE2-CD2 4.26Å; Y320-F333 AromaticContact CE2-CE2 3.8Å; Y320-F333 HydrophobicContact CE2-CE2 3.8Å; A331-F333 HydrophobicContact CB-CD2 3.84Å; A331-F333 HydrophobicContact CB-CE1 4.26Å; A331-F333 HydrophobicContact CB-CE2 3.3Å; A331-F333 HydrophobicContact CB-CZ 3.55Å; F333-N335 PolarHBondContact O-N 3.48Å; F333-M340 HydrophobicContact CE1-CG 4.16Å; F333-M340 HydrophobicContact CE1-SD 4.25Å; F333-M340 HydrophobicContact CZ-CG 3.91Å; F333-M340 HydrophobicContact CZ-SD 3.78Å; F333-A356 HydrophobicContact CE1-CB 4.31Å; F333-A359 VanDerWaalsContact CB-O 3.23Å; F333-A359 WeakPolarHBondContact CB-O 3.36Å; F333-A359 HydrophobicContact CD1-CB 3.63Å; F333-A359 WeakPolarHBondContact CD1-O 3.42Å; F333-A359 HydrophobicContact CE1-CB 3.66Å; F333-F362 HydrophobicContact CD2-CB 4.34Å; F333-F362 HydrophobicContact CE2-CB 3.48Å; F333-F362 VanDerWaalsContact CE2-CB 3.48Å; F333-F362 HydrophobicContact CE2-CD2 4.03Å; F333-F362 HydrophobicContact CE2-CG 4.06Å; F333-F362 HydrophobicContact CZ-CB 4Å; F333-F362 AromaticContact CZ-CD2 3.93Å; F333-F362 HydrophobicContact CZ-CD2 3.93Å; F333-F362 HydrophobicContact CZ-CG 4.38Å; F333-T373 HydrophobicContact CZ-CG2 4.34Å
334G90.2Very high94.8Very high26 Ų2629.4 Ų29.427%0.26814%0.144SC..SBendtrans71.4-104.2-179.500000112.3L336 A359G334-L336 PolarHBondContact O-N 3.16Å; G334-L336 VanDerWaalsContact O-N 3.17Å; G334-A359 PolarHBondContact N-O 3.41Å
335N88.8Confident94.7Very high176 Ų17627.8 Ų27.894%0.94114%0.137SC*.SBendtrans-72.5-5.5-178.6-65.9-8000113.6F333F333-N335 PolarHBondContact O-N 3.48Å
336L92.4Very high94.6Very high37 Ų3733.7 Ų33.719%0.19416%0.159CC..SBendtrans-104.2163.2179-64.8173.2000110.2M294 P315 N317 G332 G334 G338M294-L336 HydrophobicContact CE-CD1 3.74Å; M294-L336 HydrophobicContact CE-CD2 4.46Å; M294-L336 HydrophobicContact SD-CD1 4.33Å; M294-L336 HydrophobicContact SD-CD2 4.28Å; P315-L336 HydrophobicContact CB-CD2 4.21Å; N317-L336 HydrophobicContact CB-CD1 4.03Å; G332-L336 VanDerWaalsContact C-CB 3.47Å; G332-L336 VanDerWaalsContact CA-CD1 3.44Å; G332-L336 VanDerWaalsContact O-CB 3.31Å; G332-L336 WeakPolarHBondContact O-CB 3.32Å; G334-L336 PolarHBondContact O-N 3.16Å; G334-L336 VanDerWaalsContact O-N 3.17Å; L336-G338 PolarHBondContact O-N 2.91Å
337R91.1Very high94.5Very high212 Ų21240.4 Ų40.480%0.819%0.189SC*.  trans-73.18.9-170.7-62.8-174.3175.7-171.1-2.2115.5Q355R337-Q355 PolarHBondContact O-NE2 2.91Å
338G92.5Very high94.3Very high0 Ų042.1 Ų42.10%020%0.195CC..  trans76.221.3-179.800000114.8G332 L336 M340 Q355 A356G332-G338 WeakPolarHBondContact O-CA 3.37Å; G332-G338 PolarHBondContact O-N 2.79Å; L336-G338 PolarHBondContact O-N 2.91Å; G338-M340 PolarHBondContact O-N 2.91Å; G338-Q355 WeakPolarHBondContact O-CA 3.45Å; G338-A356 VanDerWaalsContact CA-O 3.22Å; G338-A356 WeakPolarHBondContact CA-O 3.39Å; G338-A356 PolarHBondContact O-N 3.36Å
339K95Very high94.1Very high72 Ų7247.4 Ų47.431%0.31322%0.218SC..BIsolated β-bridgetrans-69.2129.4178.2-169.2-170.9-178.8-157.40109P315 A331 G332 E341P315-K339 HydrophobicContact CG-CD 4.27Å; A331-K339 WeakPolarHBondContact CA-O 3.29Å; G332-K339 PolarHBondContact N-O 3.35Å; K339-E341 WeakPolarHBondContact CE-OE1 3.39Å; K339-E341 IonicContact NZ-OE1 3.06Å; K339-E341 PolarHBondContact NZ-OE1 3.2Å
340M96.1Very high93.9Very high0 Ų051 Ų510%024%0.235CC..EExtended strand (participates in β ladder)trans-115.2135.7172.3-63.3-175.2-68.900108.8V329 L330 A331 F333 G338 T353 P354 A356 F362 I371 T373 W389V329-M340 HydrophobicContact CG1-CB 4.16Å; V329-M340 HydrophobicContact CG1-CG 4.46Å; L330-M340 CarbonylContact O-C 3.43Å; L330-M340 WeakPolarHBondContact O-CA 3.39Å; A331-M340 HydrophobicContact CB-CG 4Å; F333-M340 HydrophobicContact CE1-CG 4.16Å; F333-M340 HydrophobicContact CE1-SD 4.25Å; F333-M340 HydrophobicContact CZ-CG 3.91Å; F333-M340 HydrophobicContact CZ-SD 3.78Å; G338-M340 PolarHBondContact O-N 2.91Å; M340-T353 CarbonylContact O-C 3.57Å; M340-T353 WeakPolarHBondContact O-CA 3.46Å; M340-P354 HydrophobicContact CB-CG 4.04Å; M340-P354 HydrophobicContact CE-CB 3.96Å; M340-P354 HydrophobicContact CE-CG 3.84Å; M340-P354 PolarHBondContact N-O 3.06Å; M340-P354 WeakPolarHBondContact O-CD 3.47Å; M340-A356 HydrophobicContact CE-CB 3.68Å; M340-A356 HydrophobicContact SD-CB 4.34Å; M340-F362 HydrophobicContact SD-CD2 4.07Å; M340-F362 HydrophobicContact SD-CE2 4.06Å; M340-I371 HydrophobicContact CE-CD1 4.18Å; M340-I371 HydrophobicContact SD-CD1 4.17Å; M340-T373 HydrophobicContact CE-CG2 4.08Å; M340-T373 HydrophobicContact SD-CG2 3.85Å; M340-W389 HydrophobicContact CE-CD2 4.49Å
341E95.9Very high93.7Very high18 Ų1851.9 Ų51.98%0.08424%0.24CC..EExtended strand (participates in β ladder)trans-118115175.3-55.4179.4164.200107.8R316 V329 L330 K339 T353R316-E341 IonicContact NH1-OE2 3.66Å; R316-E341 PolarHBondContact NH1-OE2 3.32Å; V329-E341 WeakPolarHBondContact CA-O 3.14Å; L330-E341 HydrophobicContact CB-CB 4.39Å; L330-E341 PolarHBondContact N-O 2.63Å; L330-E341 PolarHBondContact O-N 2.89Å; K339-E341 WeakPolarHBondContact CE-OE1 3.39Å; K339-E341 IonicContact NZ-OE1 3.06Å; K339-E341 PolarHBondContact NZ-OE1 3.2Å; E341-T353 HydrophobicContact CG-CG2 4.3Å
342V96.9Very high93.6Very high0 Ų052.1 Ų52.10%024%0.242CC..EExtended strand (participates in β ladder)trans-98.5125.4-177.4-171.70000108.7I327 V329 Q350 V351 S352 P354 Y391I327-V342 HydrophobicContact CG2-CG1 3.48Å; I327-V342 VanDerWaalsContact CG2-CG1 3.48Å; V329-V342 HydrophobicContact CG2-CB 4.46Å; V329-V342 HydrophobicContact CG2-CG1 4.2Å; V329-V342 HydrophobicContact CG2-CG2 4.06Å; V342-Q350 CarbonylContact O-C 3.44Å; V342-V351 HydrophobicContact CB-CB 4.33Å; V342-V351 HydrophobicContact CG1-CB 4.17Å; V342-V351 PolarHBondContact O-N 2.88Å; V342-S352 WeakPolarHBondContact CB-OG 3.09Å; V342-S352 WeakPolarHBondContact CG2-OG 3.45Å; V342-S352 PolarHBondContact N-O 3Å; V342-P354 HydrophobicContact CG2-CG 4.25Å; V342-Y391 HydrophobicContact CG1-CD2 4.42Å; V342-Y391 WeakPolarHBondContact CG2-O 3.26Å
343W97Very high93.5Very high2 Ų254 Ų541%0.00825%0.254CS..EExtended strand (participates in β ladder)trans-123.3134-174-68.586.8000111.4F311 I327 L328 V345 Y348 Q350 P467F311-W343 AromaticContact CD1-CD2 3.7Å; F311-W343 HydrophobicContact CD1-CD2 3.7Å; F311-W343 AromaticContact CD1-CE2 3.69Å; F311-W343 HydrophobicContact CD1-CE3 4Å; F311-W343 HydrophobicContact CD1-CG 4.14Å; F311-W343 HydrophobicContact CD1-CH2 4.34Å; F311-W343 HydrophobicContact CD1-CZ2 4.04Å; F311-W343 HydrophobicContact CD1-CZ3 4.3Å; F311-W343 HydrophobicContact CE1-CB 4.17Å; F311-W343 AromaticContact CE1-CD2 3.61Å; F311-W343 HydrophobicContact CE1-CD2 3.61Å; F311-W343 AromaticContact CE1-CE3 3.84Å; F311-W343 HydrophobicContact CE1-CE3 3.84Å; F311-W343 AromaticContact CE1-CG 3.75Å; F311-W343 HydrophobicContact CE1-CG 3.75Å; F311-W343 HydrophobicContact CE1-CZ3 4.5Å; I327-W343 WeakPolarHBondContact CA-O 3.13Å; L328-W343 PolarHBondContact N-O 2.9Å; L328-W343 PolarHBondContact O-N 2.9Å; W343-V345 PolarHBondContact O-N 2.91Å; W343-Y348 WeakPolarHBondContact CZ3-O 3.49Å; W343-Q350 HydrophobicContact CD2-CB 4.27Å; W343-Q350 HydrophobicContact CD2-CG 4.44Å; W343-Q350 HydrophobicContact CE3-CB 4.13Å; W343-Q350 HydrophobicContact CH2-CB 3.94Å; W343-Q350 HydrophobicContact CH2-CG 4.44Å; W343-Q350 HydrophobicContact CZ2-CB 4.1Å; W343-Q350 HydrophobicContact CZ2-CG 4.1Å; W343-Q350 HydrophobicContact CZ3-CB 3.97Å; W343-P467 HydrophobicContact CH2-CB 3.76Å; W343-P467 HydrophobicContact CH2-CG 3.57Å; W343-P467 HydrophobicContact CZ2-CB 4.45Å; W343-P467 HydrophobicContact CZ2-CG 3.9Å
344D95.1Very high93.5Very high5 Ų553.8 Ų53.83%0.02725%0.253CS..EExtended strand (participates in β ladder)trans-72.4114.8161.8175.9-19.5000107.7K346 K347 Y348 K349 V351 I425D344-K346 WeakPolarHBondContact OD1-CB 3.23Å; D344-K346 PolarHBondContact OD1-N 3.31Å; D344-K347 PolarHBondContact OD1-N 2.87Å; D344-K347 VanDerWaalsContact OD1-N 3.07Å; D344-K347 WeakPolarHBondContact OD2-CD 3.45Å; D344-Y348 WeakPolarHBondContact O-CA 3.37Å; D344-Y348 PolarHBondContact O-N 2.9Å; D344-K349 PolarHBondContact N-O 2.99Å; D344-K349 PolarHBondContact O-N 2.89Å; D344-V351 HydrophobicContact CB-CG2 4.12Å; D344-I425 HydrophobicContact CB-CD1 3.72Å
345V92.4Very high93.7Very high11 Ų1155.2 Ų55.27%0.06725%0.253CS..THydrogen-bonded Turntrans-71.5-31.8-175.8179.80000111.6Y321 H326 L328 W343 Y348Y321-V345 HydrophobicContact CD1-CG2 4.41Å; Y321-V345 HydrophobicContact CE1-CG2 4.14Å; H326-V345 PolarHBondContact O-N 2.75Å; L328-V345 HydrophobicContact CB-CG2 3.57Å; W343-V345 PolarHBondContact O-N 2.91Å; V345-Y348 HydrophobicContact CG1-CE1 4.43Å; V345-Y348 WeakPolarHBondContact O-CE1 3.3Å
346K90.3Very high93.9Very high134 Ų13447 Ų4758%0.58321%0.209SC*.THydrogen-bonded Turntrans-71.9-37.4-178.4-68.5179.81781720111.4D344 E422D344-K346 WeakPolarHBondContact OD1-CB 3.23Å; D344-K346 PolarHBondContact OD1-N 3.31Å; K346-E422 IonicContact NZ-OE1 3.61Å; K346-E422 PolarHBondContact NZ-OE1 2.88Å; K346-E422 IonicContact NZ-OE2 2.63Å; K346-E422 PolarHBondContact NZ-OE2 2.82Å
347K91.4Very high93.8Very high147 Ų14748.1 Ų48.164%0.63922%0.219SC*.THydrogen-bonded Turntrans-102.9-7.5-177.9-61.4-179.8-171.81630113.8D344 K349D344-K347 PolarHBondContact OD1-N 2.87Å; D344-K347 VanDerWaalsContact OD1-N 3.07Å; D344-K347 WeakPolarHBondContact OD2-CD 3.45Å; K347-K349 HydrophobicContact CB-CB 4.17Å; K347-K349 PolarHBondContact O-N 2.85Å
348Y93.3Very high93.8Very high37 Ų3741.7 Ų41.715%0.14520%0.2CC..THydrogen-bonded Turntrans44.545.2-166.6-62-71.6000112.4V300 V308 F309 F311 W343 D344 V345 N469V300-Y348 HydrophobicContact CG2-CE1 4.29Å; V308-Y348 WeakPolarHBondContact CG1-OH 3.46Å; F309-Y348 HydrophobicContact CB-CD1 3.76Å; F309-Y348 HydrophobicContact CB-CD2 4.27Å; F309-Y348 HydrophobicContact CB-CE1 3.56Å; F309-Y348 HydrophobicContact CB-CE2 4.07Å; F309-Y348 HydrophobicContact CB-CG 4.11Å; F309-Y348 AromaticContact CD1-CD1 3.55Å; F309-Y348 HydrophobicContact CD1-CD1 3.55Å; F309-Y348 HydrophobicContact CD1-CE1 4.14Å; F309-Y348 AromaticContact CD1-CG 3.94Å; F309-Y348 HydrophobicContact CD1-CG 3.94Å; F309-Y348 HydrophobicContact CD2-CD1 4Å; F309-Y348 AromaticContact CD2-CD2 3.84Å; F309-Y348 HydrophobicContact CD2-CD2 3.84Å; F309-Y348 HydrophobicContact CD2-CE2 4.41Å; F309-Y348 AromaticContact CD2-CG 3.6Å; F309-Y348 HydrophobicContact CD2-CG 3.6Å; F309-Y348 HydrophobicContact CE1-CD1 4.12Å; F309-Y348 HydrophobicContact CE1-CG 4.26Å; F309-Y348 HydrophobicContact CE2-CD2 4.41Å; F309-Y348 AromaticContact CE2-CG 3.94Å; F309-Y348 HydrophobicContact CE2-CG 3.94Å; F309-Y348 AromaticContact CG-CD1 3.47Å; F309-Y348 HydrophobicContact CG-CD1 3.47Å; F309-Y348 VanDerWaalsContact CG-CD1 3.47Å; F309-Y348 HydrophobicContact CG-CD2 4.06Å; F309-Y348 AromaticContact CG-CE1 3.85Å; F309-Y348 HydrophobicContact CG-CE1 3.85Å; F309-Y348 HydrophobicContact CG-CE2 4.37Å; F309-Y348 AromaticContact CG-CG 3.59Å; F309-Y348 HydrophobicContact CG-CG 3.59Å; F309-Y348 HydrophobicContact CZ-CG 4.26Å; F311-Y348 HydrophobicContact CE1-CD1 4.27Å; F311-Y348 HydrophobicContact CZ-CD1 4.16Å; F311-Y348 HydrophobicContact CZ-CE1 4.39Å; W343-Y348 WeakPolarHBondContact CZ3-O 3.49Å; D344-Y348 WeakPolarHBondContact O-CA 3.37Å; D344-Y348 PolarHBondContact O-N 2.9Å; V345-Y348 HydrophobicContact CG1-CE1 4.43Å; V345-Y348 WeakPolarHBondContact O-CE1 3.3Å; Y348-N469 PolarHBondContact O-ND2 3.15Å
349K93.8Very high93.8Very high110 Ų11041.8 Ų41.848%0.47820%0.201SC..EExtended strand (participates in β ladder)trans-109.5129.7179.9-173.3179.3176.9-174.40109.7D344 K347 V351D344-K349 PolarHBondContact N-O 2.99Å; D344-K349 PolarHBondContact O-N 2.89Å; K347-K349 HydrophobicContact CB-CB 4.17Å; K347-K349 PolarHBondContact O-N 2.85Å; K349-V351 PolarHBondContact O-N 3.34Å
350Q93.9Very high93.8Very high76 Ų7639.2 Ų39.236%0.35519%0.191SC..EExtended strand (participates in β ladder)trans-66.4125.7174.8-160.8-179.3-66.800109.9V342 W343 T353V342-Q350 CarbonylContact O-C 3.44Å; W343-Q350 HydrophobicContact CD2-CB 4.27Å; W343-Q350 HydrophobicContact CD2-CG 4.44Å; W343-Q350 HydrophobicContact CE3-CB 4.13Å; W343-Q350 HydrophobicContact CH2-CB 3.94Å; W343-Q350 HydrophobicContact CH2-CG 4.44Å; W343-Q350 HydrophobicContact CZ2-CB 4.1Å; W343-Q350 HydrophobicContact CZ2-CG 4.1Å; W343-Q350 HydrophobicContact CZ3-CB 3.97Å; Q350-T353 HydrophobicContact CG-CG2 4.34Å
351V94.3Very high93.8Very high19 Ų1942 Ų4212%0.11520%0.204CC..EExtended strand (participates in β ladder)trans-90.9-49.5-178.8-179.60000110.4V342 D344 K349 Y391 I425 R426V342-V351 HydrophobicContact CB-CB 4.33Å; V342-V351 HydrophobicContact CG1-CB 4.17Å; V342-V351 PolarHBondContact O-N 2.88Å; D344-V351 HydrophobicContact CB-CG2 4.12Å; K349-V351 PolarHBondContact O-N 3.34Å; V351-Y391 HydrophobicContact CG1-CD2 4.03Å; V351-Y391 HydrophobicContact CG1-CE2 4.09Å; V351-I425 HydrophobicContact CG1-CG2 4.38Å; V351-I425 HydrophobicContact CG2-CG2 3.79Å; V351-R426 VanDerWaalsContact CG1-O 3.32Å; V351-R426 WeakPolarHBondContact CG1-O 3.25Å
352S94Very high93.8Very high5 Ų541.7 Ų41.74%0.03520%0.202CC..EExtended strand (participates in β ladder)trans-156.8162.3-176.472.80000111.3V342 P354 Y391 T392V342-S352 WeakPolarHBondContact CB-OG 3.09Å; V342-S352 WeakPolarHBondContact CG2-OG 3.45Å; V342-S352 PolarHBondContact N-O 3Å; S352-P354 WeakPolarHBondContact OG-CD 3.49Å; S352-Y391 PolarHBondContact OG-O 3.41Å; S352-T392 VanDerWaalsContact CB-C 3.49Å; S352-T392 WeakPolarHBondContact CB-O 3.49Å
353T94.6Very high93.8Very high41 Ų4143.3 Ų43.325%0.25221%0.213SC..  trans-13267.4173.349.80000112.8M340 E341 Q350M340-T353 CarbonylContact O-C 3.57Å; M340-T353 WeakPolarHBondContact O-CA 3.46Å; E341-T353 HydrophobicContact CG-CG2 4.3Å; Q350-T353 HydrophobicContact CG-CG2 4.34Å
354P94Very high93.8Very high2 Ų244.3 Ų44.31%0.01322%0.217CC..  trans-67.1159.4176.723.8-27.6000111.9M340 V342 S352 W389M340-P354 HydrophobicContact CB-CG 4.04Å; M340-P354 HydrophobicContact CE-CB 3.96Å; M340-P354 HydrophobicContact CE-CG 3.84Å; M340-P354 PolarHBondContact N-O 3.06Å; M340-P354 WeakPolarHBondContact O-CD 3.47Å; V342-P354 HydrophobicContact CG2-CG 4.25Å; S352-P354 WeakPolarHBondContact OG-CD 3.49Å; P354-W389 HydrophobicContact CB-CE3 4.44Å; P354-W389 HydrophobicContact CB-CZ3 4.4Å
355Q94.2Very high93.9Very high56 Ų5644.1 Ų44.126%0.26222%0.216SC..BIsolated β-bridgetrans-123.9119.8175.8-167.8171.95.200110.4R337 G338 P357 W389 T437R337-Q355 PolarHBondContact O-NE2 2.91Å; G338-Q355 WeakPolarHBondContact O-CA 3.45Å; Q355-P357 VanDerWaalsContact O-CD 3.27Å; Q355-P357 WeakPolarHBondContact O-CD 3.32Å; Q355-W389 WeakPolarHBondContact O-CH2 3.44Å; Q355-T437 PolarHBondContact N-OG1 2.95Å; Q355-T437 WeakPolarHBondContact O-CB 3.31Å; Q355-T437 PolarHBondContact O-OG1 3.08Å
356A93Very high94Very high2 Ų244.3 Ų44.32%0.01722%0.218CC..  trans-111.379.3175.900000109.2F333 G338 M340 A359 T373 W389F333-A356 HydrophobicContact CE1-CB 4.31Å; G338-A356 VanDerWaalsContact CA-O 3.22Å; G338-A356 WeakPolarHBondContact CA-O 3.39Å; G338-A356 PolarHBondContact O-N 3.36Å; M340-A356 HydrophobicContact CE-CB 3.68Å; M340-A356 HydrophobicContact SD-CB 4.34Å; A356-A359 HydrophobicContact CB-CB 3.98Å; A356-A359 VanDerWaalsContact O-CB 3.31Å; A356-A359 WeakPolarHBondContact O-CB 3.39Å; A356-A359 PolarHBondContact O-N 3.19Å; A356-T373 HydrophobicContact CB-CG2 3.92Å; A356-W389 HydrophobicContact CB-CH2 4.33Å; A356-W389 HydrophobicContact CB-CZ2 3.74Å
357P91.3Very high94.1Very high62 Ų6238.6 Ų38.640%0.40319%0.193SC..THydrogen-bonded Turntrans-58.9146.3-177.427.2-35.4000110.8Q355 A359Q355-P357 VanDerWaalsContact O-CD 3.27Å; Q355-P357 WeakPolarHBondContact O-CD 3.32Å; P357-A359 PolarHBondContact O-N 3.2Å
358D90.2Very high94.2Very high76 Ų7631.6 Ų31.641%0.40616%0.163SC..THydrogen-bonded Turntrans60.70.2178.8-49.6-32.1000115.9T360 T375 L380 S383D358-T360 PolarHBondContact O-N 2.82Å; D358-T375 PolarHBondContact O-OG1 2.76Å; D358-T375 VanDerWaalsContact O-OG1 3.06Å; D358-L380 HydrophobicContact CB-CD2 4.05Å; D358-S383 PolarHBondContact OD2-OG 3.25Å
359A94Very high94.2Very high2 Ų230.5 Ų30.52%0.01716%0.159CC..  trans-61.2134.4179.200000110.7F333 G334 A356 P357F333-A359 VanDerWaalsContact CB-O 3.23Å; F333-A359 WeakPolarHBondContact CB-O 3.36Å; F333-A359 HydrophobicContact CD1-CB 3.63Å; F333-A359 WeakPolarHBondContact CD1-O 3.42Å; F333-A359 HydrophobicContact CE1-CB 3.66Å; G334-A359 PolarHBondContact N-O 3.41Å; A356-A359 HydrophobicContact CB-CB 3.98Å; A356-A359 VanDerWaalsContact O-CB 3.31Å; A356-A359 WeakPolarHBondContact O-CB 3.39Å; A356-A359 PolarHBondContact O-N 3.19Å; P357-A359 PolarHBondContact O-N 3.2Å
360T94Very high94.3Very high18 Ų1826.3 Ų26.311%0.1114%0.141CC..  trans-115.5-14.2178.256.10000112.8D358 A374 C376 R379 L380D358-T360 PolarHBondContact O-N 2.82Å; T360-A374 PolarHBondContact N-O 3.2Å; T360-A374 PolarHBondContact OG1-O 3.49Å; T360-C376 PolarHBondContact OG1-N 3.23Å; T360-R379 HydrophobicContact CG2-CG 4.36Å; T360-R379 PolarHBondContact O-NH1 3.37Å; T360-L380 HydrophobicContact CG2-CB 4.2Å
361F95.8Very high94.4Very high60 Ų6022.7 Ų22.726%0.26312%0.124SC..EExtended strand (participates in β ladder)trans-133.5145.7-175.2179.1-98000110.2V372 T373 A374 V410F361-V372 HydrophobicContact CE1-CG1 4.16Å; F361-T373 VanDerWaalsContact O-CA 3.29Å; F361-T373 WeakPolarHBondContact O-CA 3.47Å; F361-A374 HydrophobicContact CB-CB 4.22Å; F361-A374 HydrophobicContact CD1-CB 4.11Å; F361-A374 PolarHBondContact N-O 3.29Å; F361-A374 PolarHBondContact O-N 3.29Å; F361-V410 WeakPolarHBondContact CE1-O 3.21Å; F361-V410 WeakPolarHBondContact CZ-O 3.41Å
362F97.2Very high94.5Very high11 Ų1121.8 Ų21.85%0.04812%0.119CC..EExtended strand (participates in β ladder)trans-143138.3175.7175.3-76000108.8Y320 V329 F333 M340 W364 I371 V372 T373Y320-F362 AromaticContact CD1-CD1 3.55Å; Y320-F362 HydrophobicContact CD1-CD1 3.55Å; Y320-F362 HydrophobicContact CD1-CE1 4.01Å; Y320-F362 HydrophobicContact CD1-CG 4.43Å; Y320-F362 HydrophobicContact CD2-CB 4.39Å; Y320-F362 AromaticContact CD2-CD1 3.53Å; Y320-F362 HydrophobicContact CD2-CD1 3.53Å; Y320-F362 HydrophobicContact CD2-CD2 4.36Å; Y320-F362 AromaticContact CD2-CE1 3.83Å; Y320-F362 HydrophobicContact CD2-CE1 3.83Å; Y320-F362 AromaticContact CD2-CG 3.85Å; Y320-F362 HydrophobicContact CD2-CG 3.85Å; Y320-F362 HydrophobicContact CD2-CZ 4.33Å; Y320-F362 HydrophobicContact CE1-CB 4.3Å; Y320-F362 AromaticContact CE1-CD1 3.9Å; Y320-F362 HydrophobicContact CE1-CD1 3.9Å; Y320-F362 HydrophobicContact CE1-CG 4.44Å; Y320-F362 HydrophobicContact CE2-CB 3.89Å; Y320-F362 AromaticContact CE2-CD1 3.88Å; Y320-F362 HydrophobicContact CE2-CD1 3.88Å; Y320-F362 AromaticContact CE2-CG 3.85Å; Y320-F362 HydrophobicContact CE2-CG 3.85Å; Y320-F362 AromaticContact CG-CD1 3.34Å; Y320-F362 HydrophobicContact CG-CD1 3.34Å; Y320-F362 AromaticContact CG-CE1 3.47Å; Y320-F362 HydrophobicContact CG-CE1 3.47Å; Y320-F362 VanDerWaalsContact CG-CE1 3.47Å; Y320-F362 HydrophobicContact CG-CG 4.14Å; Y320-F362 HydrophobicContact CG-CZ 4.31Å; V329-F362 HydrophobicContact CB-CE2 4.43Å; V329-F362 HydrophobicContact CB-CZ 4.14Å; V329-F362 HydrophobicContact CG1-CE2 3.96Å; V329-F362 HydrophobicContact CG1-CZ 4.17Å; V329-F362 HydrophobicContact CG2-CZ 4.23Å; F333-F362 HydrophobicContact CD2-CB 4.34Å; F333-F362 HydrophobicContact CE2-CB 3.48Å; F333-F362 VanDerWaalsContact CE2-CB 3.48Å; F333-F362 HydrophobicContact CE2-CD2 4.03Å; F333-F362 HydrophobicContact CE2-CG 4.06Å; F333-F362 HydrophobicContact CZ-CB 4Å; F333-F362 AromaticContact CZ-CD2 3.93Å; F333-F362 HydrophobicContact CZ-CD2 3.93Å; F333-F362 HydrophobicContact CZ-CG 4.38Å; M340-F362 HydrophobicContact SD-CD2 4.07Å; M340-F362 HydrophobicContact SD-CE2 4.06Å; F362-W364 AromaticContact CE1-CD1 3.55Å; F362-W364 HydrophobicContact CE1-CD2 4.5Å; F362-W364 HydrophobicContact CE1-CG 4.11Å; F362-W364 AromaticContact CE1-NE1 3.58Å; F362-W364 HydrophobicContact CZ-CD2 4.41Å; F362-W364 AromaticContact CZ-CE2 4Å; F362-W364 HydrophobicContact CZ-CG 4.47Å; F362-W364 AromaticContact CZ-NE1 3.76Å; F362-I371 HydrophobicContact CE1-CG2 4.39Å; F362-I371 HydrophobicContact CE2-CB 3.94Å; F362-I371 HydrophobicContact CE2-CD1 3.74Å; F362-I371 HydrophobicContact CE2-CG1 4.41Å; F362-I371 HydrophobicContact CE2-CG2 3.94Å; F362-I371 HydrophobicContact CZ-CB 3.99Å; F362-I371 HydrophobicContact CZ-CD1 4.4Å; F362-I371 HydrophobicContact CZ-CG2 3.53Å; F362-V372 WeakPolarHBondContact CA-O 3.46Å; F362-T373 HydrophobicContact CD2-CG2 4.06Å
363S96.9Very high94.7Very high34 Ų3421.8 Ų21.824%0.23812%0.119CC..EExtended strand (participates in β ladder)trans-149.4142169.9-175.20000111.2I371 V372S363-I371 WeakPolarHBondContact O-CA 3.48Å; S363-V372 PolarHBondContact N-O 3.37Å; S363-V372 PolarHBondContact O-N 3.05Å
364W97.1Very high94.8Very high23 Ų2319.9 Ų19.99%0.08711%0.107CC..EExtended strand (participates in β ladder)trans-77.5136.9172.4-81.1104.5000110.6Y320 Y321 P323 I327 V329 F362 G368 I371 W412Y320-W364 PolarHBondContact O-NE1 2.86Å; Y321-W364 VanDerWaalsContact C-NE1 3.34Å; Y321-W364 PolarHBondContact O-NE1 3.14Å; P323-W364 HydrophobicContact CG-CB 4.1Å; I327-W364 HydrophobicContact CB-CH2 4.11Å; I327-W364 HydrophobicContact CB-CZ2 4.3Å; I327-W364 HydrophobicContact CD1-CH2 4.4Å; I327-W364 HydrophobicContact CG2-CH2 3.77Å; I327-W364 HydrophobicContact CG2-CZ2 3.91Å; V329-W364 HydrophobicContact CG2-CH2 4.2Å; V329-W364 HydrophobicContact CG2-CZ2 3.52Å; F362-W364 AromaticContact CE1-CD1 3.55Å; F362-W364 HydrophobicContact CE1-CD2 4.5Å; F362-W364 HydrophobicContact CE1-CG 4.11Å; F362-W364 AromaticContact CE1-NE1 3.58Å; F362-W364 HydrophobicContact CZ-CD2 4.41Å; F362-W364 AromaticContact CZ-CE2 4Å; F362-W364 HydrophobicContact CZ-CG 4.47Å; F362-W364 AromaticContact CZ-NE1 3.76Å; W364-G368 VanDerWaalsContact CZ3-O 3.31Å; W364-G368 WeakPolarHBondContact CZ3-O 3.47Å; W364-I371 HydrophobicContact CD2-CG2 3.55Å; W364-I371 HydrophobicContact CE3-CG2 3.3Å; W364-I371 HydrophobicContact CG-CG2 4.3Å; W364-I371 HydrophobicContact CH2-CG2 3.9Å; W364-I371 HydrophobicContact CZ2-CG2 4.14Å; W364-I371 HydrophobicContact CZ3-CG2 3.48Å; W364-I371 VanDerWaalsContact CZ3-CG2 3.48Å; W364-W412 VanDerWaalsContact C-CD1 3.43Å
365C96Very high94.8Very high0 Ų020.2 Ų20.20%011%0.109CC..  trans-64.7141159.6-174.30000108.3D367 G368 H370 W412C365-D367 WeakPolarHBondContact CB-OD1 3.27Å; C365-D367 PolarHBondContact O-N 2.99Å; C365-D367 PolarHBondContact SG-OD1 2.95Å; C365-D367 PolarHBondContact SG-OD2 2.93Å; C365-G368 PolarHBondContact O-N 2.94Å; C365-H370 HydrophobicContact CB-CB 3.78Å; C365-H370 WeakPolarHBondContact CB-O 3.38Å; C365-H370 PolarHBondContact N-O 2.93Å; C365-W412 HydrophobicContact CB-CD2 4.1Å; C365-W412 HydrophobicContact CB-CE3 4.47Å; C365-W412 HydrophobicContact CB-CZ2 4.18Å
366P94.6Very high94.7Very high16 Ų1618.2 Ų18.210%0.10410%0.101CC..THydrogen-bonded Turntrans-54.3-23.6177.2-25.929.7000114.6P6 Q324 G368 Q413 F415 F420P6-P366 HydrophobicContact CB-CG 4.18Å; P6-P366 HydrophobicContact CG-CB 4.36Å; P6-P366 HydrophobicContact CG-CG 4.23Å; Q324-P366 PolarHBondContact NE2-O 2.88Å; P366-G368 PolarHBondContact O-N 3.03Å; P366-Q413 WeakPolarHBondContact CG-O 3.34Å; P366-F415 HydrophobicContact CB-CB 4.44Å; P366-F415 HydrophobicContact CB-CD2 3.86Å; P366-F415 HydrophobicContact CG-CD2 3.75Å; P366-F415 HydrophobicContact CG-CE2 4.35Å; P366-F420 HydrophobicContact CB-CD2 3.83Å; P366-F420 HydrophobicContact CB-CE2 3.62Å; P366-F420 HydrophobicContact CB-CZ 4.46Å; P366-F420 WeakPolarHBondContact O-CD2 3.31Å
367D92.9Very high94.6Very high13 Ų1318.4 Ų18.47%0.0710%0.103CC..THydrogen-bonded Turntrans-65.9-17.1176.565.619.6000114.3Q324 C365 E369 H370 F420Q324-D367 PolarHBondContact NE2-O 3.34Å; C365-D367 WeakPolarHBondContact CB-OD1 3.27Å; C365-D367 PolarHBondContact O-N 2.99Å; C365-D367 PolarHBondContact SG-OD1 2.95Å; C365-D367 PolarHBondContact SG-OD2 2.93Å; D367-E369 PolarHBondContact O-N 2.78Å; D367-E369 PolarHBondContact OD1-N 2.84Å; D367-H370 PolarHBondContact OD1-N 3.23Å; D367-H370 IonicContact OD1-ND1 3.49Å; D367-H370 IonicContact OD2-CE1 2.79Å; D367-H370 IonicContact OD2-CG 2.76Å; D367-H370 IonicContact OD2-ND1 3.74Å; D367-H370 PolarHBondContact OD2-ND1 2.96Å; D367-F420 HydrophobicContact CB-CD1 4.09Å; D367-F420 HydrophobicContact CB-CE1 4.35Å
368G93.4Very high94.4Very high0 Ų020.7 Ų20.70%012%0.118CC..SBendtrans72.34.8-177.900000115.7Q324 W364 C365 P366Q324-G368 VanDerWaalsContact OE1-CA 3.26Å; W364-G368 VanDerWaalsContact CZ3-O 3.31Å; W364-G368 WeakPolarHBondContact CZ3-O 3.47Å; C365-G368 PolarHBondContact O-N 2.94Å; P366-G368 PolarHBondContact O-N 3.03Å
369E93.4Very high94.2Very high14 Ų1424.9 Ų24.97%0.06513%0.127CC..SBendtrans-107-30.3178.7-69-168.7127.500112.4D367 Y391 R423D367-E369 PolarHBondContact O-N 2.78Å; D367-E369 PolarHBondContact OD1-N 2.84Å; E369-Y391 HydrophobicContact CB-CD1 4.31Å; E369-Y391 HydrophobicContact CB-CE1 4.22Å; E369-Y391 HydrophobicContact CG-CE1 4.11Å; E369-Y391 VanDerWaalsContact O-CD1 3.24Å; E369-Y391 WeakPolarHBondContact O-CD1 3.34Å; E369-Y391 PolarHBondContact O-N 2.74Å; E369-R423 VanDerWaalsContact OE1-CD 3.23Å; E369-R423 WeakPolarHBondContact OE1-CD 3.41Å; E369-R423 IonicContact OE1-NH1 3.29Å; E369-R423 WeakPolarHBondContact OE2-CD 3.42Å; E369-R423 IonicContact OE2-CZ 3.3Å; E369-R423 VanDerWaalsContact OE2-CZ 3.29Å; E369-R423 IonicContact OE2-NE 3Å; E369-R423 IonicContact OE2-NH1 2.64Å; E369-R423 PolarHBondContact OE2-NH1 2.87Å
370H95.1Very high93.9Very high22 Ų2227.7 Ų27.710%0.10214%0.142CC..EExtended strand (participates in β ladder)trans-111.5149.8-175.5-55.299.9000112.3P22 C365 D367 I388 W389 H390 L396P22-H370 HydrophobicContact CG-CB 3.94Å; C365-H370 HydrophobicContact CB-CB 3.78Å; C365-H370 WeakPolarHBondContact CB-O 3.38Å; C365-H370 PolarHBondContact N-O 2.93Å; D367-H370 PolarHBondContact OD1-N 3.23Å; D367-H370 IonicContact OD1-ND1 3.49Å; D367-H370 IonicContact OD2-CE1 2.79Å; D367-H370 IonicContact OD2-CG 2.76Å; D367-H370 IonicContact OD2-ND1 3.74Å; D367-H370 PolarHBondContact OD2-ND1 2.96Å; H370-I388 HydrophobicContact CB-CG2 4.49Å; H370-W389 CarbonylContact C-O 3.59Å; H370-W389 WeakPolarHBondContact CA-O 3.4Å; H370-H390 AromaticContact NE2-CD2 3.79Å; H370-L396 WeakPolarHBondContact CD2-CD1 3.33Å; H370-L396 WeakPolarHBondContact NE2-CD1 3.37Å
371I96.5Very high93.4Very high1 Ų135.3 Ų35.31%0.00517%0.169CC..EExtended strand (participates in β ladder)trans-130.2147.9177.156.6169.9000108.9M340 F362 S363 W364 I388 W389M340-I371 HydrophobicContact CE-CD1 4.18Å; M340-I371 HydrophobicContact SD-CD1 4.17Å; F362-I371 HydrophobicContact CE1-CG2 4.39Å; F362-I371 HydrophobicContact CE2-CB 3.94Å; F362-I371 HydrophobicContact CE2-CD1 3.74Å; F362-I371 HydrophobicContact CE2-CG1 4.41Å; F362-I371 HydrophobicContact CE2-CG2 3.94Å; F362-I371 HydrophobicContact CZ-CB 3.99Å; F362-I371 HydrophobicContact CZ-CD1 4.4Å; F362-I371 HydrophobicContact CZ-CG2 3.53Å; S363-I371 WeakPolarHBondContact O-CA 3.48Å; W364-I371 HydrophobicContact CD2-CG2 3.55Å; W364-I371 HydrophobicContact CE3-CG2 3.3Å; W364-I371 HydrophobicContact CG-CG2 4.3Å; W364-I371 HydrophobicContact CH2-CG2 3.9Å; W364-I371 HydrophobicContact CZ2-CG2 4.14Å; W364-I371 HydrophobicContact CZ3-CG2 3.48Å; W364-I371 VanDerWaalsContact CZ3-CG2 3.48Å; I371-I388 CarbonylContact O-C 3.51Å; I371-I388 WeakPolarHBondContact O-CA 3.49Å; I371-W389 HydrophobicContact CD1-CB 3.99Å; I371-W389 HydrophobicContact CD1-CG 4.12Å; I371-W389 HydrophobicContact CG1-CB 3.58Å; I371-W389 HydrophobicContact CG1-CG 3.96Å; I371-W389 PolarHBondContact N-O 3.44Å; I371-W389 PolarHBondContact O-N 3.43Å
372V97.1Very high92.9Very high0 Ų037.3 Ų37.30%019%0.185CC..EExtended strand (participates in β ladder)trans-111.2134.7166.971.90000109.2L8 F361 F362 S363 Y386 K387 I388 V410 W412L8-V372 HydrophobicContact CD2-CG2 4.46Å; F361-V372 HydrophobicContact CE1-CG1 4.16Å; F362-V372 WeakPolarHBondContact CA-O 3.46Å; S363-V372 PolarHBondContact N-O 3.37Å; S363-V372 PolarHBondContact O-N 3.05Å; V372-Y386 HydrophobicContact CG2-CD2 4.15Å; V372-Y386 HydrophobicContact CG2-CG 4.47Å; V372-K387 WeakPolarHBondContact CA-O 3.31Å; V372-I388 HydrophobicContact CG2-CG1 4.23Å; V372-V410 HydrophobicContact CG1-CG1 4.27Å; V372-V410 HydrophobicContact CG2-CG1 3.95Å; V372-W412 HydrophobicContact CB-CZ2 4.04Å
373T97.1Very high92.4Very high5 Ų540 Ų403%0.03121%0.205CC..EExtended strand (participates in β ladder)trans-117.4136.916762.60000108.7F333 M340 A356 F361 F362 Y386 K387 W389F333-T373 HydrophobicContact CZ-CG2 4.34Å; M340-T373 HydrophobicContact CE-CG2 4.08Å; M340-T373 HydrophobicContact SD-CG2 3.85Å; A356-T373 HydrophobicContact CB-CG2 3.92Å; F361-T373 VanDerWaalsContact O-CA 3.29Å; F361-T373 WeakPolarHBondContact O-CA 3.47Å; F362-T373 HydrophobicContact CD2-CG2 4.06Å; T373-Y386 CarbonylContact O-C 3.54Å; T373-Y386 VanDerWaalsContact O-CA 3.25Å; T373-Y386 WeakPolarHBondContact O-CA 3.19Å; T373-K387 PolarHBondContact N-O 2.75Å; T373-K387 PolarHBondContact O-N 2.84Å; T373-W389 PolarHBondContact OG1-NE1 2.92Å
374A96.4Very high92.2Very high1 Ų138.9 Ų38.91%0.00820%0.197CC..EExtended strand (participates in β ladder)trans-138.4154.3-179.300000112.9T360 F361 G385 L407 V410T360-A374 PolarHBondContact N-O 3.2Å; T360-A374 PolarHBondContact OG1-O 3.49Å; F361-A374 HydrophobicContact CB-CB 4.22Å; F361-A374 HydrophobicContact CD1-CB 4.11Å; F361-A374 PolarHBondContact N-O 3.29Å; F361-A374 PolarHBondContact O-N 3.29Å; A374-G385 VanDerWaalsContact CA-O 3.32Å; A374-G385 WeakPolarHBondContact CA-O 3.4Å; A374-L407 HydrophobicContact CB-CD2 4.09Å; A374-V410 HydrophobicContact CB-CB 4.44Å; A374-V410 HydrophobicContact CB-CG2 4.15Å
375T94.9Very high92.1Very high9 Ų938 Ų386%0.05520%0.196CC..EExtended strand (participates in β ladder)trans-112.7106.3170.9-56.30000107.3D358 L380 V382 S383 N384 G385D358-T375 PolarHBondContact O-OG1 2.76Å; D358-T375 VanDerWaalsContact O-OG1 3.06Å; T375-L380 HydrophobicContact CG2-CB 3.97Å; T375-L380 HydrophobicContact CG2-CD2 3.74Å; T375-L380 HydrophobicContact CG2-CG 4.2Å; T375-V382 WeakPolarHBondContact CG2-O 3.37Å; T375-S383 VanDerWaalsContact CB-O 3.22Å; T375-S383 WeakPolarHBondContact CB-O 3.07Å; T375-S383 WeakPolarHBondContact CG2-O 3.23Å; T375-N384 WeakPolarHBondContact O-CA 3.22Å; T375-G385 PolarHBondContact N-O 3.48Å; T375-G385 PolarHBondContact O-N 3.49Å
376C92.3Very high92.1Very high14 Ų1438.5 Ų38.510%0.09520%0.198CC..  trans-112.2138.3-172-54.60000111.9T360 R379 L380 L407T360-C376 PolarHBondContact OG1-N 3.23Å; C376-R379 PolarHBondContact O-N 2.93Å; C376-L380 CarbonylContact C-O 3.5Å; C376-L380 PolarHBondContact O-N 3.06Å; C376-L407 CarbonylContact C-O 3.52Å; C376-L407 WeakPolarHBondContact CA-O 3.46Å
377A89.8Confident92.2Very high6 Ų639.8 Ų39.85%0.0520%0.202CC..THydrogen-bonded Turntrans-72151.9163.100000110.6L380 E406 L407A377-L380 PolarHBondContact N-O 2.83Å; A377-E406 HydrophobicContact CB-CB 3.72Å; A377-E406 HydrophobicContact CB-CG 3.98Å; A377-L407 PolarHBondContact N-O 2.75Å
378P87.1Confident92.3Very high110 Ų11039.2 Ų39.271%0.71420%0.198SC*.THydrogen-bonded Turncis-84.9-0.73.734.4-36.3000114L380P378-L380 PolarHBondContact O-N 3.47Å
379R87.3Confident92.3Very high163 Ų16339.2 Ų39.262%0.61520%0.198SC*.THydrogen-bonded Turntrans-62.8-45.9-172.6-175175.1-179.6-159.73112.3T360 C376T360-R379 HydrophobicContact CG2-CG 4.36Å; T360-R379 PolarHBondContact O-NH1 3.37Å; C376-R379 PolarHBondContact O-N 2.93Å
380L86.2Confident92.4Very high61 Ų6138.9 Ų38.932%0.31920%0.197SC..  trans-134.8129.7169.6-165.666.8000108D358 T360 T375 C376 A377 P378 N384D358-L380 HydrophobicContact CB-CD2 4.05Å; T360-L380 HydrophobicContact CG2-CB 4.2Å; T375-L380 HydrophobicContact CG2-CB 3.97Å; T375-L380 HydrophobicContact CG2-CD2 3.74Å; T375-L380 HydrophobicContact CG2-CG 4.2Å; C376-L380 CarbonylContact C-O 3.5Å; C376-L380 PolarHBondContact O-N 3.06Å; A377-L380 PolarHBondContact N-O 2.83Å; P378-L380 PolarHBondContact O-N 3.47Å; L380-N384 PolarHBondContact O-ND2 3.13Å
381R83.4Confident92.4Very high179 Ų17938 Ų3868%0.67519%0.193SC*.  trans-100.7-2.2-179.6-64-172.4-177.2-172.2-3.3113.8E406R381-E406 IonicContact CZ-OE1 3.65Å; R381-E406 IonicContact NE-OE1 3.4Å
382V85.3Confident92.2Very high101 Ų10138.1 Ų38.161%0.61219%0.194SC*.SBendtrans-102146.5177-176.70000108T375 N384T375-V382 WeakPolarHBondContact CG2-O 3.37Å; V382-N384 VanDerWaalsContact C-N 3.26Å; V382-N384 PolarHBondContact O-N 2.77Å; V382-N384 PolarHBondContact O-ND2 3.19Å
383S87.7Confident91.9Very high67 Ų6738.1 Ų38.147%0.46919%0.194SC..SBendtrans56.136.4177.5-49.80000113.7D358 T375D358-S383 PolarHBondContact OD2-OG 3.25Å; T375-S383 VanDerWaalsContact CB-O 3.22Å; T375-S383 WeakPolarHBondContact CB-O 3.07Å; T375-S383 WeakPolarHBondContact CG2-O 3.23Å
384N93.3Very high91.6Very high11 Ų1138 Ų386%0.05919%0.193CC..  trans-64135.9177.8-83.3-153.8000110.9T375 L380 V382 V401 L407T375-N384 WeakPolarHBondContact O-CA 3.22Å; L380-N384 PolarHBondContact O-ND2 3.13Å; V382-N384 VanDerWaalsContact C-N 3.26Å; V382-N384 PolarHBondContact O-N 2.77Å; V382-N384 PolarHBondContact O-ND2 3.19Å; N384-V401 HydrophobicContact CB-CB 4.11Å; N384-V401 HydrophobicContact CB-CG2 4.41Å; N384-V401 PolarHBondContact O-N 3.17Å; N384-L407 HydrophobicContact CB-CB 4.22Å; N384-L407 PolarHBondContact OD1-N 3.06Å
385G94.9Very high91.4Very high6 Ų638.3 Ų38.36%0.06220%0.195CC..EExtended strand (participates in β ladder)trans154.3175.1-172.500000112.1A374 T375 H399 L407A374-G385 VanDerWaalsContact CA-O 3.32Å; A374-G385 WeakPolarHBondContact CA-O 3.4Å; T375-G385 PolarHBondContact N-O 3.48Å; T375-G385 PolarHBondContact O-N 3.49Å; G385-H399 CarbonylContact C-O 3.56Å; G385-H399 WeakPolarHBondContact CA-O 3.31Å; G385-L407 VanDerWaalsContact C-CD2 3.45Å; G385-L407 WeakPolarHBondContact O-CD2 3.27Å
386Y95.6Very high91.3Very high10 Ų1040.5 Ų40.54%0.03921%0.206CC..EExtended strand (participates in β ladder)trans-136157.8176.868.7-92.1000111.9L8 V10 L19 V372 T373 I388 H399 L407 V410L8-Y386 HydrophobicContact CD2-CD2 4.38Å; L8-Y386 HydrophobicContact CD2-CE2 4.13Å; V10-Y386 HydrophobicContact CG1-CE1 4.07Å; V10-Y386 HydrophobicContact CG2-CE1 4.02Å; L19-Y386 HydrophobicContact CD1-CE2 4.49Å; L19-Y386 WeakPolarHBondContact CD1-OH 3.49Å; V372-Y386 HydrophobicContact CG2-CD2 4.15Å; V372-Y386 HydrophobicContact CG2-CG 4.47Å; T373-Y386 CarbonylContact O-C 3.54Å; T373-Y386 VanDerWaalsContact O-CA 3.25Å; T373-Y386 WeakPolarHBondContact O-CA 3.19Å; Y386-I388 HydrophobicContact CD2-CG1 4.2Å; Y386-I388 HydrophobicContact CE2-CD1 4.29Å; Y386-I388 HydrophobicContact CE2-CG1 4.26Å; Y386-H399 HydrophobicContact CD1-CB 3.9Å; Y386-H399 HydrophobicContact CD2-CB 4.42Å; Y386-H399 HydrophobicContact CE1-CB 3.39Å; Y386-H399 AromaticContact CE1-CD2 3.62Å; Y386-H399 AromaticContact CE1-CG 3.58Å; Y386-H399 HydrophobicContact CE2-CB 3.97Å; Y386-H399 HydrophobicContact CG-CB 4.37Å; Y386-H399 AromaticContact CZ-CG 3.94Å; Y386-H399 PolarHBondContact N-O 2.82Å; Y386-H399 PolarHBondContact O-N 2.85Å; Y386-L407 HydrophobicContact CD1-CD2 4.27Å; Y386-V410 HydrophobicContact CD1-CG2 4.2Å; Y386-V410 HydrophobicContact CG-CG2 4.42Å
387K95.4Very high91.2Very high43 Ų4341.8 Ų41.819%0.18721%0.21CC..EExtended strand (participates in β ladder)trans-132.4135.3174.6-70171.7-174.6170.50109.1V372 T373 W389 Q397 K398V372-K387 WeakPolarHBondContact CA-O 3.31Å; T373-K387 PolarHBondContact N-O 2.75Å; T373-K387 PolarHBondContact O-N 2.84Å; K387-W389 HydrophobicContact CB-CZ2 3.76Å; K387-W389 HydrophobicContact CD-CH2 3.97Å; K387-W389 HydrophobicContact CD-CZ2 3.45Å; K387-W389 VanDerWaalsContact CD-CZ2 3.45Å; K387-W389 HydrophobicContact CG-CZ2 4.25Å; K387-W389 VanDerWaalsContact O-CD1 3.27Å; K387-W389 PolarHBondContact O-NE1 2.9Å; K387-Q397 CarbonylContact C-O 3.56Å; K387-Q397 VanDerWaalsContact CA-O 3.31Å; K387-Q397 WeakPolarHBondContact CA-O 3.24Å; K387-K398 HydrophobicContact CG-CB 4.26Å; K387-K398 HydrophobicContact CG-CG 3.96Å
388I95.6Very high91.4Very high1 Ų146.2 Ų46.21%0.00523%0.228CC..EExtended strand (participates in β ladder)trans-102.9131.4172-55.4176000107.9L8 P22 H370 I371 V372 Y386 L396 Q397 W412L8-I388 HydrophobicContact CD2-CD1 3.8Å; L8-I388 HydrophobicContact CD2-CG1 4.33Å; P22-I388 HydrophobicContact CG-CG2 3.7Å; H370-I388 HydrophobicContact CB-CG2 4.49Å; I371-I388 CarbonylContact O-C 3.51Å; I371-I388 WeakPolarHBondContact O-CA 3.49Å; V372-I388 HydrophobicContact CG2-CG1 4.23Å; Y386-I388 HydrophobicContact CD2-CG1 4.2Å; Y386-I388 HydrophobicContact CE2-CD1 4.29Å; Y386-I388 HydrophobicContact CE2-CG1 4.26Å; I388-L396 PolarHBondContact O-N 2.79Å; I388-Q397 HydrophobicContact CB-CB 4.19Å; I388-Q397 HydrophobicContact CD1-CB 4.27Å; I388-Q397 HydrophobicContact CG1-CB 4.38Å; I388-Q397 PolarHBondContact N-O 3.49Å; I388-Q397 PolarHBondContact O-N 2.89Å; I388-W412 HydrophobicContact CD1-CH2 4.04Å; I388-W412 HydrophobicContact CD1-CZ2 4.36Å; I388-W412 HydrophobicContact CG1-CZ2 4.43Å; I388-W412 HydrophobicContact CG2-CZ2 4.31Å
389W94.3Very high91.7Very high0 Ų043.7 Ų43.70%021%0.207CC..EExtended strand (participates in β ladder)trans-127.1153-175.6-37.667.9000110.2M340 P354 Q355 A356 H370 I371 T373 K387 S394 V395 T437M340-W389 HydrophobicContact CE-CD2 4.49Å; P354-W389 HydrophobicContact CB-CE3 4.44Å; P354-W389 HydrophobicContact CB-CZ3 4.4Å; Q355-W389 WeakPolarHBondContact O-CH2 3.44Å; A356-W389 HydrophobicContact CB-CH2 4.33Å; A356-W389 HydrophobicContact CB-CZ2 3.74Å; H370-W389 CarbonylContact C-O 3.59Å; H370-W389 WeakPolarHBondContact CA-O 3.4Å; I371-W389 HydrophobicContact CD1-CB 3.99Å; I371-W389 HydrophobicContact CD1-CG 4.12Å; I371-W389 HydrophobicContact CG1-CB 3.58Å; I371-W389 HydrophobicContact CG1-CG 3.96Å; I371-W389 PolarHBondContact N-O 3.44Å; I371-W389 PolarHBondContact O-N 3.43Å; T373-W389 PolarHBondContact OG1-NE1 2.92Å; K387-W389 HydrophobicContact CB-CZ2 3.76Å; K387-W389 HydrophobicContact CD-CH2 3.97Å; K387-W389 HydrophobicContact CD-CZ2 3.45Å; K387-W389 VanDerWaalsContact CD-CZ2 3.45Å; K387-W389 HydrophobicContact CG-CZ2 4.25Å; K387-W389 VanDerWaalsContact O-CD1 3.27Å; K387-W389 PolarHBondContact O-NE1 2.9Å; W389-S394 CarbonylContact C-O 3.59Å; W389-S394 VanDerWaalsContact CA-O 3.25Å; W389-S394 WeakPolarHBondContact CA-O 3.4Å; W389-V395 HydrophobicContact CD2-CG2 4.12Å; W389-V395 HydrophobicContact CE3-CB 4.36Å; W389-V395 HydrophobicContact CE3-CG2 3.37Å; W389-V395 HydrophobicContact CH2-CG2 3.79Å; W389-V395 HydrophobicContact CZ2-CG2 4.49Å; W389-V395 HydrophobicContact CZ3-CG2 3.17Å; W389-T437 HydrophobicContact CH2-CG2 3.74Å; W389-T437 WeakPolarHBondContact CH2-OG1 3.39Å; W389-T437 HydrophobicContact CZ3-CG2 3.71Å; W389-T437 WeakPolarHBondContact CZ3-OG1 3.18Å
390H94.9Very high92Very high7 Ų740.5 Ų40.53%0.03220%0.202CC..EExtended strand (participates in β ladder)trans-83.9145.3156.1-174-100.4000109.1H370 T392 G393 S394 A430H370-H390 AromaticContact NE2-CD2 3.79Å; H390-T392 WeakPolarHBondContact CE1-CG2 3.42Å; H390-T392 WeakPolarHBondContact ND1-CB 3.22Å; H390-T392 VanDerWaalsContact ND1-CG2 3.28Å; H390-T392 WeakPolarHBondContact ND1-CG2 3.46Å; H390-T392 PolarHBondContact ND1-N 2.87Å; H390-T392 PolarHBondContact ND1-OG1 3.2Å; H390-T392 PolarHBondContact O-N 3Å; H390-G393 PolarHBondContact O-N 2.76Å; H390-S394 PolarHBondContact N-O 2.88Å; H390-A430 HydrophobicContact CB-CB 4.09Å
391Y94.3Very high92.2Very high3 Ų338.7 Ų38.71%0.01219%0.193CC..THydrogen-bonded Turntrans-57.9-18.1-177.767.9-98.2000114.1I327 V342 V351 S352 E369 G393 I425 R426I327-Y391 HydrophobicContact CD1-CD1 3.82Å; I327-Y391 HydrophobicContact CD1-CD2 3.85Å; I327-Y391 HydrophobicContact CD1-CE1 4.05Å; I327-Y391 HydrophobicContact CD1-CE2 4.07Å; I327-Y391 HydrophobicContact CD1-CG 3.73Å; V342-Y391 HydrophobicContact CG1-CD2 4.42Å; V342-Y391 WeakPolarHBondContact CG2-O 3.26Å; V351-Y391 HydrophobicContact CG1-CD2 4.03Å; V351-Y391 HydrophobicContact CG1-CE2 4.09Å; S352-Y391 PolarHBondContact OG-O 3.41Å; E369-Y391 HydrophobicContact CB-CD1 4.31Å; E369-Y391 HydrophobicContact CB-CE1 4.22Å; E369-Y391 HydrophobicContact CG-CE1 4.11Å; E369-Y391 VanDerWaalsContact O-CD1 3.24Å; E369-Y391 WeakPolarHBondContact O-CD1 3.34Å; E369-Y391 PolarHBondContact O-N 2.74Å; Y391-G393 PolarHBondContact O-N 3.07Å; Y391-I425 HydrophobicContact CE2-CG2 4.07Å; Y391-R426 WeakPolarHBondContact CE2-O 3.23Å; Y391-R426 WeakPolarHBondContact OH-CB 3.16Å; Y391-R426 PolarHBondContact OH-N 2.89Å
392T93.3Very high92.4Very high4 Ų433.7 Ų33.73%0.02519%0.19CC..THydrogen-bonded Turntrans-71.1-517362.20000113.4S352 H390 R426 Q428 A430S352-T392 VanDerWaalsContact CB-C 3.49Å; S352-T392 WeakPolarHBondContact CB-O 3.49Å; H390-T392 WeakPolarHBondContact CE1-CG2 3.42Å; H390-T392 WeakPolarHBondContact ND1-CB 3.22Å; H390-T392 VanDerWaalsContact ND1-CG2 3.28Å; H390-T392 WeakPolarHBondContact ND1-CG2 3.46Å; H390-T392 PolarHBondContact ND1-N 2.87Å; H390-T392 PolarHBondContact ND1-OG1 3.2Å; H390-T392 PolarHBondContact O-N 3Å; T392-R426 HydrophobicContact CG2-CB 4.27Å; T392-R426 WeakPolarHBondContact CG2-O 3.16Å; T392-Q428 VanDerWaalsContact CG2-O 3.29Å; T392-Q428 WeakPolarHBondContact CG2-O 2.84Å; T392-A430 PolarHBondContact OG1-N 3.09Å
393G90.5Very high92.2Very high0 Ų038.7 Ų38.70%021%0.207CC..THydrogen-bonded Turntrans94.812.4177.600000115.1H390 Y391 S436H390-G393 PolarHBondContact O-N 2.76Å; Y391-G393 PolarHBondContact O-N 3.07Å; G393-S436 WeakPolarHBondContact O-CB 3.49Å; G393-S436 PolarHBondContact O-OG 2.88Å
394S91.6Very high91.9Very high3 Ų339.4 Ų39.42%0.02123%0.225CC..EExtended strand (participates in β ladder)trans-85.7132.5174.7-51.70000109.8W389 H390 A430W389-S394 CarbonylContact C-O 3.59Å; W389-S394 VanDerWaalsContact CA-O 3.25Å; W389-S394 WeakPolarHBondContact CA-O 3.4Å; H390-S394 PolarHBondContact N-O 2.88Å; S394-A430 VanDerWaalsContact CB-O 3.31Å; S394-A430 WeakPolarHBondContact CB-O 3.26Å; S394-A430 PolarHBondContact OG-N 2.98Å; S394-A430 PolarHBondContact OG-O 2.97Å
395V92.5Very high91.7Very high7 Ų740.5 Ų40.54%0.04224%0.236CC..EExtended strand (participates in β ladder)trans-83.4124.3175.5-178.70000108.6W389 S432 L434 G435 T437W389-V395 HydrophobicContact CD2-CG2 4.12Å; W389-V395 HydrophobicContact CE3-CB 4.36Å; W389-V395 HydrophobicContact CE3-CG2 3.37Å; W389-V395 HydrophobicContact CH2-CG2 3.79Å; W389-V395 HydrophobicContact CZ2-CG2 4.49Å; W389-V395 HydrophobicContact CZ3-CG2 3.17Å; V395-S432 WeakPolarHBondContact O-CB 3.06Å; V395-S432 PolarHBondContact O-OG 2.76Å; V395-L434 HydrophobicContact CB-CB 4.07Å; V395-L434 HydrophobicContact CG1-CB 4.13Å; V395-L434 HydrophobicContact CG1-CD1 3.87Å; V395-G435 PolarHBondContact N-O 2.84Å; V395-T437 HydrophobicContact CG2-CG2 3.94Å
396L91.1Very high91.6Very high54 Ų5442.4 Ų42.428%0.28324%0.243SC..EExtended strand (participates in β ladder)trans-95.6-37.3177.4-59.4-177.5000112.1P22 H370 I388P22-L396 HydrophobicContact CB-CD1 4.12Å; H370-L396 WeakPolarHBondContact CD2-CD1 3.33Å; H370-L396 WeakPolarHBondContact NE2-CD1 3.37Å; I388-L396 PolarHBondContact O-N 2.79Å
397Q91.8Very high91.5Very high41 Ų4141.9 Ų41.919%0.19224%0.241CC..EExtended strand (participates in β ladder)trans-143.1147.5178.2-170.9178.422.300110.3C25 K387 I388C25-Q397 HydrophobicContact CB-CB 4.29Å; C25-Q397 HydrophobicContact CB-CG 4.37Å; C25-Q397 PolarHBondContact O-NE2 3.29Å; K387-Q397 CarbonylContact C-O 3.56Å; K387-Q397 VanDerWaalsContact CA-O 3.31Å; K387-Q397 WeakPolarHBondContact CA-O 3.24Å; I388-Q397 HydrophobicContact CB-CB 4.19Å; I388-Q397 HydrophobicContact CD1-CB 4.27Å; I388-Q397 HydrophobicContact CG1-CB 4.38Å; I388-Q397 PolarHBondContact N-O 3.49Å; I388-Q397 PolarHBondContact O-N 2.89Å
398K93.2Very high91.4Very high99 Ų9944.7 Ų44.743%0.4325%0.25SS..EExtended strand (participates in β ladder)trans-132.9132.8171.1-177.1-178.1-170.7-127.80108.7K387 D400 L434K387-K398 HydrophobicContact CG-CB 4.26Å; K387-K398 HydrophobicContact CG-CG 3.96Å; K398-D400 WeakPolarHBondContact CE-OD1 3.42Å; K398-D400 VanDerWaalsContact CE-OD2 3.26Å; K398-D400 WeakPolarHBondContact CE-OD2 3.3Å; K398-D400 VanDerWaalsContact NZ-CG 3.32Å; K398-D400 IonicContact NZ-OD1 2.78Å; K398-D400 PolarHBondContact NZ-OD1 2.77Å; K398-D400 IonicContact NZ-OD2 2.69Å; K398-D400 PolarHBondContact NZ-OD2 2.85Å; K398-L434 HydrophobicContact CB-CD1 4.32Å
399H93.5Very high91.2Very high58 Ų5846.3 Ų46.327%0.26926%0.259SS..EExtended strand (participates in β ladder)trans-128.7119.8171.1179.781.2000108.5E12 G385 Y386E12-H399 IonicContact OE1-CD2 3.77Å; E12-H399 IonicContact OE1-NE2 3.91Å; E12-H399 PolarHBondContact OE1-NE2 3.11Å; E12-H399 VanDerWaalsContact OE1-NE2 3.15Å; E12-H399 IonicContact OE2-NE2 3.09Å; G385-H399 CarbonylContact C-O 3.56Å; G385-H399 WeakPolarHBondContact CA-O 3.31Å; Y386-H399 HydrophobicContact CD1-CB 3.9Å; Y386-H399 HydrophobicContact CD2-CB 4.42Å; Y386-H399 HydrophobicContact CE1-CB 3.39Å; Y386-H399 AromaticContact CE1-CD2 3.62Å; Y386-H399 AromaticContact CE1-CG 3.58Å; Y386-H399 HydrophobicContact CE2-CB 3.97Å; Y386-H399 HydrophobicContact CG-CB 4.37Å; Y386-H399 AromaticContact CZ-CG 3.94Å; Y386-H399 PolarHBondContact N-O 2.82Å; Y386-H399 PolarHBondContact O-N 2.85Å
400D93.3Very high91.3Very high96 Ų9646.3 Ų46.351%0.51326%0.259SS..EExtended strand (participates in β ladder)trans-106.3128.9173.6-57.3-54.8000108K398K398-D400 WeakPolarHBondContact CE-OD1 3.42Å; K398-D400 VanDerWaalsContact CE-OD2 3.26Å; K398-D400 WeakPolarHBondContact CE-OD2 3.3Å; K398-D400 VanDerWaalsContact NZ-CG 3.32Å; K398-D400 IonicContact NZ-OD1 2.78Å; K398-D400 PolarHBondContact NZ-OD1 2.77Å; K398-D400 IonicContact NZ-OD2 2.69Å; K398-D400 PolarHBondContact NZ-OD2 2.85Å
401V91Very high91.3Very high22 Ų2248.4 Ų48.413%0.13327%0.266CS..PPolyproline II helixtrans-75.1139.9179.2175.60000109.9E12 N384 A405 L407E12-V401 HydrophobicContact CG-CG2 4.46Å; N384-V401 HydrophobicContact CB-CB 4.11Å; N384-V401 HydrophobicContact CB-CG2 4.41Å; N384-V401 PolarHBondContact O-N 3.17Å; V401-A405 VanDerWaalsContact CG1-C 3.47Å; V401-A405 HydrophobicContact CG1-CB 3.43Å; V401-A405 VanDerWaalsContact CG1-CB 3.43Å; V401-A405 WeakPolarHBondContact CG1-O 3.39Å; V401-L407 HydrophobicContact CG2-CB 3.86Å
402A86.5Confident91.4Very high74 Ų7449 Ų4961%0.61227%0.269SS*.PPolyproline II helixtrans-62.5155.9179.700000112.7G404 A405A402-G404 PolarHBondContact O-N 3.26Å; A402-A405 PolarHBondContact O-N 3.03Å
403E82.2Confident91.6Very high206 Ų20649.6 Ų49.696%0.96327%0.271SS*.THydrogen-bonded Turntrans-58.8129178.1-168.7173.9-174.400111.2A405E403-A405 VanDerWaalsContact C-N 3.32Å
404G82Confident91.8Very high83 Ų8351.7 Ų51.786%0.85629%0.285SS*.THydrogen-bonded Turntrans85.9-8.3-177.300000115.5A402A402-G404 PolarHBondContact O-N 3.26Å
405A89.1Confident91.9Very high33 Ų3353.5 Ų53.527%0.27329%0.292SS..  trans-96.8158.3168.700000111.1V401 A402 E403V401-A405 VanDerWaalsContact CG1-C 3.47Å; V401-A405 HydrophobicContact CG1-CB 3.43Å; V401-A405 VanDerWaalsContact CG1-CB 3.43Å; V401-A405 WeakPolarHBondContact CG1-O 3.39Å; A402-A405 PolarHBondContact O-N 3.03Å; E403-A405 VanDerWaalsContact C-N 3.32Å
406E92.3Very high91.8Very high46 Ų4656.2 Ų56.222%0.21531%0.31CS..  trans-127.9134.3-177.5-64-176.9148.400110.1E12 S13 A377 R381E12-E406 CarbonylContact C-O 3.56Å; E12-E406 WeakPolarHBondContact CA-O 3.36Å; S13-E406 PolarHBondContact N-O 3.15Å; S13-E406 WeakPolarHBondContact OG-CB 3.19Å; S13-E406 PolarHBondContact OG-N 2.86Å; S13-E406 VanDerWaalsContact OG-N 3.16Å; S13-E406 PolarHBondContact OG-O 3.06Å; A377-E406 HydrophobicContact CB-CB 3.72Å; A377-E406 HydrophobicContact CB-CG 3.98Å; R381-E406 IonicContact CZ-OE1 3.65Å; R381-E406 IonicContact NE-OE1 3.4Å
407L93.8Very high91.6Very high0 Ų060.1 Ų60.10%033%0.331CS..EExtended strand (participates in β ladder)trans-84.5120166.5-177.662.3000107.9V10 E12 A374 C376 A377 N384 G385 Y386 V401 V410V10-L407 HydrophobicContact CG1-CD1 3.8Å; E12-L407 HydrophobicContact CG-CD1 3.64Å; A374-L407 HydrophobicContact CB-CD2 4.09Å; C376-L407 CarbonylContact C-O 3.52Å; C376-L407 WeakPolarHBondContact CA-O 3.46Å; A377-L407 PolarHBondContact N-O 2.75Å; N384-L407 HydrophobicContact CB-CB 4.22Å; N384-L407 PolarHBondContact OD1-N 3.06Å; G385-L407 VanDerWaalsContact C-CD2 3.45Å; G385-L407 WeakPolarHBondContact O-CD2 3.27Å; Y386-L407 HydrophobicContact CD1-CD2 4.27Å; V401-L407 HydrophobicContact CG2-CB 3.86Å; L407-V410 HydrophobicContact CD1-CG2 3.79Å; L407-V410 HydrophobicContact CD2-CG2 3.79Å; L407-V410 HydrophobicContact CG-CG2 4.09Å
408R91.9Very high91.4Very high102 Ų10261.8 Ų61.839%0.38536%0.36SS..EExtended strand (participates in β ladder)trans-97.9-40.7-177.5-66.6-175.3173.6-179.70.6112.5C11C11-R408 PolarHBondContact O-N 3.3Å
409D92.8Very high91.3Very high34 Ų3460.7 Ų60.718%0.18236%0.358CS..EExtended strand (participates in β ladder)trans-155.4148.1-173.6-157-2.6000112C11 R411C11-D409 HydrophobicContact CB-CB 3.97Å; C11-D409 PolarHBondContact N-O 2.85Å; C11-D409 PolarHBondContact O-N 3.06Å; D409-R411 IonicContact OD1-NE 2.92Å; D409-R411 PolarHBondContact OD1-NE 2.67Å; D409-R411 IonicContact OD2-CZ 2.91Å; D409-R411 IonicContact OD2-NE 3.71Å; D409-R411 PolarHBondContact OD2-NE 2.82Å; D409-R411 IonicContact OD2-NH2 3.88Å; D409-R411 PolarHBondContact OD2-NH2 3.42Å
410V95.1Very high91.2Very high0 Ų058.7 Ų58.70%035%0.348CS..EExtended strand (participates in β ladder)trans-141.7124.6174.6178.90000108.2L8 A9 F361 V372 A374 Y386 L407L8-V410 HydrophobicContact CD1-CG1 3.44Å; L8-V410 VanDerWaalsContact CD1-CG1 3.44Å; L8-V410 HydrophobicContact CD2-CG1 4.1Å; L8-V410 HydrophobicContact CG-CG1 3.93Å; A9-V410 CarbonylContact O-C 3.57Å; A9-V410 VanDerWaalsContact O-CA 3.28Å; A9-V410 WeakPolarHBondContact O-CA 3.26Å; F361-V410 WeakPolarHBondContact CE1-O 3.21Å; F361-V410 WeakPolarHBondContact CZ-O 3.41Å; V372-V410 HydrophobicContact CG1-CG1 4.27Å; V372-V410 HydrophobicContact CG2-CG1 3.95Å; A374-V410 HydrophobicContact CB-CB 4.44Å; A374-V410 HydrophobicContact CB-CG2 4.15Å; Y386-V410 HydrophobicContact CD1-CG2 4.2Å; Y386-V410 HydrophobicContact CG-CG2 4.42Å; L407-V410 HydrophobicContact CD1-CG2 3.79Å; L407-V410 HydrophobicContact CD2-CG2 3.79Å; L407-V410 HydrophobicContact CG-CG2 4.09Å
411R96.1Very high91Very high51 Ų5158 Ų5819%0.19235%0.349CS..EExtended strand (participates in β ladder)trans-142.1132.6-178.1-60-167.8-156164.216.2113A9 L41 F43 D409A9-R411 PolarHBondContact N-O 2.88Å; A9-R411 PolarHBondContact O-N 3.4Å; L41-R411 PolarHBondContact O-NH1 2.91Å; L41-R411 PolarHBondContact O-NH2 2.88Å; F43-R411 HydrophobicContact CD2-CB 4.47Å; F43-R411 HydrophobicContact CE2-CB 4.25Å; D409-R411 IonicContact OD1-NE 2.92Å; D409-R411 PolarHBondContact OD1-NE 2.67Å; D409-R411 IonicContact OD2-CZ 2.91Å; D409-R411 IonicContact OD2-NE 3.71Å; D409-R411 PolarHBondContact OD2-NE 2.82Å; D409-R411 IonicContact OD2-NH2 3.88Å; D409-R411 PolarHBondContact OD2-NH2 3.42Å
412W96.7Very high91Very high15 Ų1561.5 Ų61.56%0.05736%0.364CS..EExtended strand (participates in β ladder)trans-70.7141.5167.7-69.3111.4000110.8P6 L8 P22 W364 C365 V372 I388P6-W412 HydrophobicContact CB-CE3 4.35Å; L8-W412 HydrophobicContact CB-CE3 3.95Å; L8-W412 HydrophobicContact CB-CH2 4.09Å; L8-W412 HydrophobicContact CB-CZ3 3.66Å; L8-W412 HydrophobicContact CD1-CD2 3.7Å; L8-W412 HydrophobicContact CD1-CE3 3.89Å; L8-W412 HydrophobicContact CD1-CG 4.15Å; L8-W412 HydrophobicContact CD1-CH2 4.2Å; L8-W412 HydrophobicContact CD1-CZ2 4.07Å; L8-W412 HydrophobicContact CD1-CZ3 4.14Å; L8-W412 HydrophobicContact CD2-CH2 4.12Å; L8-W412 HydrophobicContact CD2-CZ2 4.31Å; L8-W412 HydrophobicContact CG-CE3 4.49Å; L8-W412 HydrophobicContact CG-CH2 4.38Å; L8-W412 HydrophobicContact CG-CZ3 4.33Å; P22-W412 HydrophobicContact CG-CH2 4.33Å; W364-W412 VanDerWaalsContact C-CD1 3.43Å; C365-W412 HydrophobicContact CB-CD2 4.1Å; C365-W412 HydrophobicContact CB-CE3 4.47Å; C365-W412 HydrophobicContact CB-CZ2 4.18Å; V372-W412 HydrophobicContact CB-CZ2 4.04Å; I388-W412 HydrophobicContact CD1-CH2 4.04Å; I388-W412 HydrophobicContact CD1-CZ2 4.36Å; I388-W412 HydrophobicContact CG1-CZ2 4.43Å; I388-W412 HydrophobicContact CG2-CZ2 4.31Å
413Q96.4Very high91.2Very high17 Ų1762.1 Ų62.18%0.07935%0.35CS..PPolyproline II helixtrans-59.5121.7164.3-178.4-172.115.600108.5L7 F43 G47 P366 F415L7-Q413 HydrophobicContact CB-CB 4.12Å; L7-Q413 WeakPolarHBondContact O-CB 3.22Å; L7-Q413 PolarHBondContact O-N 2.77Å; F43-Q413 HydrophobicContact CD1-CB 4.29Å; F43-Q413 HydrophobicContact CD1-CG 4.14Å; F43-Q413 HydrophobicContact CE1-CB 3.91Å; F43-Q413 HydrophobicContact CE1-CG 4.05Å; F43-Q413 HydrophobicContact CE2-CB 4.5Å; F43-Q413 HydrophobicContact CZ-CB 4.02Å; G47-Q413 PolarHBondContact O-NE2 3.27Å; P366-Q413 WeakPolarHBondContact CG-O 3.34Å; Q413-F415 HydrophobicContact CB-CE2 4.25Å; Q413-F415 HydrophobicContact CG-CE2 3.91Å; Q413-F415 HydrophobicContact CG-CZ 4.33Å
414P95.3Very high91.6Very high44 Ų4457.7 Ų57.729%0.28634%0.339SS..PPolyproline II helixtrans-72.7162175.732.3-34.7000110.6F43 S44 G47F43-P414 HydrophobicContact CB-CG 3.83Å; S44-P414 WeakPolarHBondContact O-CG 3.46Å; G47-P414 VanDerWaalsContact CA-O 3.27Å; G47-P414 WeakPolarHBondContact CA-O 3.3Å
415F94.4Very high92.1Very high41 Ų4155.3 Ų55.318%0.1831%0.307CS..  trans-138.2152.5171.4-76.3-99.9000109.1P4 P6 P366 Q413 I419 F420P4-F415 HydrophobicContact CB-CE1 3.84Å; P4-F415 HydrophobicContact CB-CZ 4.18Å; P4-F415 HydrophobicContact CG-CD1 4.06Å; P4-F415 HydrophobicContact CG-CE1 3.52Å; P4-F415 HydrophobicContact CG-CZ 4.17Å; P6-F415 HydrophobicContact CB-CE2 3.8Å; P6-F415 HydrophobicContact CG-CE2 3.98Å; P366-F415 HydrophobicContact CB-CB 4.44Å; P366-F415 HydrophobicContact CB-CD2 3.86Å; P366-F415 HydrophobicContact CG-CD2 3.75Å; P366-F415 HydrophobicContact CG-CE2 4.35Å; Q413-F415 HydrophobicContact CB-CE2 4.25Å; Q413-F415 HydrophobicContact CG-CE2 3.91Å; Q413-F415 HydrophobicContact CG-CZ 4.33Å; F415-I419 HydrophobicContact CB-CB 4.37Å; F415-I419 HydrophobicContact CB-CG1 4.44Å; F415-I419 HydrophobicContact CD1-CG2 4.04Å; F415-F420 HydrophobicContact CB-CD2 4.39Å; F415-F420 HydrophobicContact CB-CE2 3.87Å; F415-F420 HydrophobicContact CD1-CE2 4.06Å; F415-F420 HydrophobicContact CD1-CZ 4.5Å; F415-F420 AromaticContact CD2-CE2 3.7Å; F415-F420 HydrophobicContact CD2-CE2 3.7Å; F415-F420 HydrophobicContact CD2-CZ 4.25Å; F415-F420 HydrophobicContact CE2-CE2 4.25Å; F415-F420 HydrophobicContact CE2-CZ 4.35Å; F415-F420 AromaticContact CG-CE2 3.59Å; F415-F420 HydrophobicContact CG-CE2 3.59Å; F415-F420 HydrophobicContact CG-CZ 4.33Å
416P90.3Very high92.1Very high64 Ų6460.6 Ų60.642%0.41632%0.32SS..  trans-57.1151.2170.7-24.334.4000112.3D46 I419D46-P416 HydrophobicContact CB-CG 4.09Å; P416-I419 HydrophobicContact CB-CG1 4.36Å; P416-I419 VanDerWaalsContact O-CG1 3.32Å; P416-I419 WeakPolarHBondContact O-CG1 3.45Å; P416-I419 PolarHBondContact O-N 3.25Å
417D86.8Confident91.9Very high136 Ų13662 Ų6273%0.72733%0.326SS*.THydrogen-bonded Turntrans-58.3140.1176.7-65.6-24.1000111.2
418G86.4Confident91.4Very high76 Ų7670 Ų7078%0.78436%0.364SS*.THydrogen-bonded Turntrans89.3-7.3177.600000115.9
419I91.3Very high91Very high76 Ų7668.3 Ų68.339%0.3937%0.371SS..SBendtrans-65-39.9174.1-65.5-64000111.8P4 F415 P416P4-I419 HydrophobicContact CG-CG2 3.72Å; F415-I419 HydrophobicContact CB-CB 4.37Å; F415-I419 HydrophobicContact CB-CG1 4.44Å; F415-I419 HydrophobicContact CD1-CG2 4.04Å; P416-I419 HydrophobicContact CB-CG1 4.36Å; P416-I419 VanDerWaalsContact O-CG1 3.32Å; P416-I419 WeakPolarHBondContact O-CG1 3.45Å; P416-I419 PolarHBondContact O-N 3.25Å
420F91.8Very high90.4Very high17 Ų1767.6 Ų67.68%0.07537%0.37CS..SBendtrans-106.9118.2178.7-62.9-81.2000110.2P3 P4 P6 P366 D367 F415P3-F420 HydrophobicContact CB-CD1 4.28Å; P3-F420 HydrophobicContact CB-CE1 4.11Å; P4-F420 HydrophobicContact CG-CE1 4.43Å; P4-F420 HydrophobicContact CG-CZ 3.91Å; P4-F420 WeakPolarHBondContact O-CE1 3.34Å; P4-F420 WeakPolarHBondContact O-CZ 3.27Å; P6-F420 HydrophobicContact CG-CE1 4.28Å; P6-F420 HydrophobicContact CG-CE2 4.32Å; P6-F420 HydrophobicContact CG-CZ 3.67Å; P366-F420 HydrophobicContact CB-CD2 3.83Å; P366-F420 HydrophobicContact CB-CE2 3.62Å; P366-F420 HydrophobicContact CB-CZ 4.46Å; P366-F420 WeakPolarHBondContact O-CD2 3.31Å; D367-F420 HydrophobicContact CB-CD1 4.09Å; D367-F420 HydrophobicContact CB-CE1 4.35Å; F415-F420 HydrophobicContact CB-CD2 4.39Å; F415-F420 HydrophobicContact CB-CE2 3.87Å; F415-F420 HydrophobicContact CD1-CE2 4.06Å; F415-F420 HydrophobicContact CD1-CZ 4.5Å; F415-F420 AromaticContact CD2-CE2 3.7Å; F415-F420 HydrophobicContact CD2-CE2 3.7Å; F415-F420 HydrophobicContact CD2-CZ 4.25Å; F415-F420 HydrophobicContact CE2-CE2 4.25Å; F415-F420 HydrophobicContact CE2-CZ 4.35Å; F415-F420 AromaticContact CG-CE2 3.59Å; F415-F420 HydrophobicContact CG-CE2 3.59Å; F415-F420 HydrophobicContact CG-CZ 4.33Å
421P89.8Confident89.7Confident81 Ų8173.6 Ų73.653%0.52641%0.409SS..  trans-71.8153.3-18030.3-35.1000111.5R423P421-R423 PolarHBondContact O-N 2.92Å
422E90.3Very high89Confident96 Ų9673 Ų7345%0.44941%0.413SS..  trans-61130.2168.3-165.1-164.2140.600109.8Q324 H326 K346Q324-E422 HydrophobicContact CB-CB 4.37Å; Q324-E422 HydrophobicContact CB-CG 4.39Å; H326-E422 HydrophobicContact CB-CG 4.01Å; K346-E422 IonicContact NZ-OE1 3.61Å; K346-E422 PolarHBondContact NZ-OE1 2.88Å; K346-E422 IonicContact NZ-OE2 2.63Å; K346-E422 PolarHBondContact NZ-OE2 2.82Å
423R90Very high88.1Confident86 Ų8682.2 Ų82.233%0.32546%0.457SS..  trans-107.5150.1178.5-66180-176.6-156.92.8110.8E369 P421 I425E369-R423 VanDerWaalsContact OE1-CD 3.23Å; E369-R423 WeakPolarHBondContact OE1-CD 3.41Å; E369-R423 IonicContact OE1-NH1 3.29Å; E369-R423 WeakPolarHBondContact OE2-CD 3.42Å; E369-R423 IonicContact OE2-CZ 3.3Å; E369-R423 VanDerWaalsContact OE2-CZ 3.29Å; E369-R423 IonicContact OE2-NE 3Å; E369-R423 IonicContact OE2-NH1 2.64Å; E369-R423 PolarHBondContact OE2-NH1 2.87Å; P421-R423 PolarHBondContact O-N 2.92Å; R423-I425 PolarHBondContact O-N 2.89Å
424P90.9Very high87.4Confident113 Ų11386.2 Ų86.273%0.73448%0.478SS*.PPolyproline II helixtrans-60132173.2-23.534000112.1R426P424-R426 PolarHBondContact O-N 3.21Å
425I91.7Very high86.5Confident34 Ų3485.7 Ų85.717%0.17448%0.48CS..PPolyproline II helixtrans-68.6127.1179.8-61.2172.3000110.2I327 D344 V351 Y391 R423I327-I425 HydrophobicContact CD1-CG1 4.34Å; I327-I425 HydrophobicContact CG1-CD1 3.91Å; I327-I425 HydrophobicContact CG1-CG1 4.08Å; D344-I425 HydrophobicContact CB-CD1 3.72Å; V351-I425 HydrophobicContact CG1-CG2 4.38Å; V351-I425 HydrophobicContact CG2-CG2 3.79Å; Y391-I425 HydrophobicContact CE2-CG2 4.07Å; R423-I425 PolarHBondContact O-N 2.89Å
426R90Very high85.3Confident143 Ų14386.3 Ų86.354%0.5449%0.49SS..PPolyproline II helixtrans-93.3134.7174.9-59.4179.6-177.3-171.51.2109.5V351 Y391 T392 P424V351-R426 VanDerWaalsContact CG1-O 3.32Å; V351-R426 WeakPolarHBondContact CG1-O 3.25Å; Y391-R426 WeakPolarHBondContact CE2-O 3.23Å; Y391-R426 WeakPolarHBondContact OH-CB 3.16Å; Y391-R426 PolarHBondContact OH-N 2.89Å; T392-R426 HydrophobicContact CG2-CB 4.27Å; T392-R426 WeakPolarHBondContact CG2-O 3.16Å; P424-R426 PolarHBondContact O-N 3.21Å
427H87.2Confident84.2Confident76 Ų7685.3 Ų85.335%0.35248%0.483SS..  trans-101.6-10.8174.1-67.6-80.5000113.2
428Q84.8Confident83.2Confident169 Ų16983.6 Ų83.679%0.7947%0.47SS*.SBendtrans-89.6139.7175-66.4179.11.500109.4T392 A430T392-Q428 VanDerWaalsContact CG2-O 3.29Å; T392-Q428 WeakPolarHBondContact CG2-O 2.84Å; Q428-A430 PolarHBondContact O-N 3.17Å
429A82.3Confident81.9Confident66 Ų6683.4 Ų83.455%0.54546%0.461SS..PPolyproline II helixtrans-60.4131.4178.200000110.6
430A81.8Confident80.2Confident19 Ų1983.5 Ų83.516%0.15747%0.473CS..PPolyproline II helixtrans-62.1142.8171.600000110.3H390 T392 S394 Q428 S432H390-A430 HydrophobicContact CB-CB 4.09Å; T392-A430 PolarHBondContact OG1-N 3.09Å; S394-A430 VanDerWaalsContact CB-O 3.31Å; S394-A430 WeakPolarHBondContact CB-O 3.26Å; S394-A430 PolarHBondContact OG-N 2.98Å; S394-A430 PolarHBondContact OG-O 2.97Å; Q428-A430 PolarHBondContact O-N 3.17Å; A430-S432 PolarHBondContact O-N 2.85Å
431P79.8Confident78.3Confident126 Ų12688.9 Ų88.982%0.81851%0.51SS*.PPolyproline II helixtrans-55.5137.2172.9-23.533.3000111.1
432S81.7Confident76.1Confident39 Ų3991.4 Ų91.427%0.27352%0.524SS..  trans-154.4137.3177.4160.50000110.3V395 A430 L434 G435V395-S432 WeakPolarHBondContact O-CB 3.06Å; V395-S432 PolarHBondContact O-OG 2.76Å; A430-S432 PolarHBondContact O-N 2.85Å; S432-L434 VanDerWaalsContact C-N 3.35Å; S432-L434 PolarHBondContact OG-N 3.38Å; S432-G435 PolarHBondContact OG-N 2.99Å
433E76.9Confident74.3Confident208 Ų20895.9 Ų95.997%0.97255%0.545SS*.SBendtrans-74.3-26.3172.6-59.5-175.5172.400112.5G435E433-G435 VanDerWaalsContact C-N 3.34Å
434L81.4Confident72.6Confident101 Ų10195.5 Ų95.553%0.52956%0.56SS.*SBendtrans-87.4-5.1177.8-62.6172.6000112.7V395 K398 S432V395-L434 HydrophobicContact CB-CB 4.07Å; V395-L434 HydrophobicContact CG1-CB 4.13Å; V395-L434 HydrophobicContact CG1-CD1 3.87Å; K398-L434 HydrophobicContact CB-CD1 4.32Å; S432-L434 VanDerWaalsContact C-N 3.35Å; S432-L434 PolarHBondContact OG-N 3.38Å
435G76.1Confident71Confident32 Ų3299 Ų9933%0.3356%0.56SS.*  trans74-159.4177.300000114.7V395 S432 E433V395-G435 PolarHBondContact N-O 2.84Å; S432-G435 PolarHBondContact OG-N 2.99Å; E433-G435 VanDerWaalsContact C-N 3.34Å
436S71.1Confident69.6Low55 Ų55102 Ų10239%0.38557%0.569SS.*BIsolated β-bridgetrans-119.1142.9175.9-174.80000110.3G393 Q438G393-S436 WeakPolarHBondContact O-CB 3.49Å; G393-S436 PolarHBondContact O-OG 2.88Å; S436-Q438 VanDerWaalsContact C-N 3.3Å; S436-Q438 PolarHBondContact O-N 2.86Å
437T67.3Low68.4Low43 Ų4397.8 Ų97.826%0.26456%0.56SS.*  trans-92.219.517866.40000113.4Q355 W389 V395 A439Q355-T437 PolarHBondContact N-OG1 2.95Å; Q355-T437 WeakPolarHBondContact O-CB 3.31Å; Q355-T437 PolarHBondContact O-OG1 3.08Å; W389-T437 HydrophobicContact CH2-CG2 3.74Å; W389-T437 WeakPolarHBondContact CH2-OG1 3.39Å; W389-T437 HydrophobicContact CZ3-CG2 3.71Å; W389-T437 WeakPolarHBondContact CZ3-OG1 3.18Å; V395-T437 HydrophobicContact CG2-CG2 3.94Å; T437-A439 PolarHBondContact O-N 3.48Å; T437-A439 VanDerWaalsContact O-N 3.13Å
438Q65.8Low67.7Low100 Ų10097.6 Ų97.647%0.46757%0.566SS.*PPolyproline II helixtrans-56.5123.4173.9-75.5-172.814.100109.5S436 A440S436-Q438 VanDerWaalsContact C-N 3.3Å; S436-Q438 PolarHBondContact O-N 2.86Å; Q438-A440 PolarHBondContact O-N 2.98Å
439A59Low66.9Low71 Ų7193.6 Ų93.659%0.58756%0.562SS**PPolyproline II helixtrans-60.4122.7179.600000109.6T437T437-A439 PolarHBondContact O-N 3.48Å; T437-A439 VanDerWaalsContact O-N 3.13Å
440A54.4Low66.2Low78 Ų7894.7 Ų94.765%0.64556%0.558SS**PPolyproline II helixtrans-58140.1169.600000109.1Q438 T442Q438-A440 PolarHBondContact O-N 2.98Å; A440-T442 PolarHBondContact O-N 2.74Å
441P51.6Low65.7Low131 Ų131100.9 Ų100.985%0.85158%0.578SS**  trans-61.1104.5177.123.9-31.6000108.8Q443P441-Q443 PolarHBondContact O-N 2.98Å
442T43.8Very low65.2Low133 Ų133103 Ų10382%0.81658%0.576SS**PPolyproline II helixtrans-71.2126.3174.642.10000108.2A440 A444A440-T442 PolarHBondContact O-N 2.74Å; T442-A444 PolarHBondContact O-N 3.02Å
443Q53.6Low64.2Low190 Ų190106 Ų10689%0.88859%0.588SS**PPolyproline II helixtrans-61.7126.1171.2-68.7-170.2-2.100108.1P441 Y445P441-Q443 PolarHBondContact O-N 2.98Å; Q443-Y445 PolarHBondContact O-N 2.86Å; Q443-Y445 VanDerWaalsContact O-N 3.15Å
444A54.2Low63.4Low79 Ų79101.5 Ų101.565%0.65358%0.577SS**PPolyproline II helixtrans-53.6123.5177.400000109.4T442 R446T442-A444 PolarHBondContact O-N 3.02Å; A444-R446 PolarHBondContact O-N 2.84Å
445Y57.3Low61.9Low187 Ų187100.9 Ų100.973%0.73359%0.587SS**PPolyproline II helixtrans-54.3116.8-178.5175.3-102.3000110Q443 P447Q443-Y445 PolarHBondContact O-N 2.86Å; Q443-Y445 VanDerWaalsContact O-N 3.15Å; Y445-P447 HydrophobicContact CE1-CG 4.33Å; Y445-P447 WeakPolarHBondContact O-CD 3Å
446R61.6Low60.9Low95 Ų95103.1 Ų103.136%0.35860%0.602SS.*  trans-97.3114.2174-100.9-178.5163.1-144.5-19.5109.2A444 R451 L453 P454A444-R446 PolarHBondContact O-N 2.84Å; R446-R451 HydrophobicContact CB-CG 4.35Å; R446-L453 VanDerWaalsContact CZ-O 3.3Å; R446-L453 PolarHBondContact NH1-O 2.65Å; R446-L453 PolarHBondContact NH2-O 2.77Å; R446-P454 VanDerWaalsContact NH2-C 3.31Å; R446-P454 PolarHBondContact NH2-O 3.42Å; R446-P454 VanDerWaalsContact NH2-O 3.14Å
447P65.6Low59.8Low55 Ų55105.8 Ų105.836%0.35762%0.618SS.*  trans-52.4142172.2-23.932.7000110.1Y445 A449 L450Y445-P447 HydrophobicContact CE1-CG 4.33Å; Y445-P447 WeakPolarHBondContact O-CD 3Å; P447-A449 PolarHBondContact O-N 3.22Å; P447-A449 VanDerWaalsContact O-N 3.07Å; P447-L450 HydrophobicContact CG-CD1 4.27Å; P447-L450 PolarHBondContact O-N 3.18Å
448P70.9Confident59Low73 Ų73108.2 Ų108.247%0.47464%0.637SS.*G310 helixtrans-49.1-39.6-176.8-29.635000114L450 R451P448-L450 PolarHBondContact O-N 3.25Å; P448-R451 PolarHBondContact O-N 3.41Å
449A69.7Low58Low85 Ų85108.7 Ų108.770%0.70265%0.651SS**G310 helixtrans-65.2-16.8-179.900000115.2P447P447-A449 PolarHBondContact O-N 3.22Å; P447-A449 VanDerWaalsContact O-N 3.07Å
450L65.9Low57.6Low88 Ų88112.2 Ų112.246%0.46165%0.653SS.*G310 helixtrans-1114.3-174.6-71.2173000113.1P447 P448 H452 L453P447-L450 HydrophobicContact CG-CD1 4.27Å; P447-L450 PolarHBondContact O-N 3.18Å; P448-L450 PolarHBondContact O-N 3.25Å; L450-H452 VanDerWaalsContact C-N 3.31Å; L450-H452 PolarHBondContact O-N 2.74Å; L450-L453 HydrophobicContact CD2-CD1 3.85Å
451R71.8Confident57.4Low150 Ų150117 Ų11757%0.56667%0.668SS**THydrogen-bonded Turntrans-67.9-29.9-179-69.8-178.3-172.3166.91.8113.1R446 P448R446-R451 HydrophobicContact CB-CG 4.35Å; P448-R451 PolarHBondContact O-N 3.41Å
452H69.6Low57.5Low170 Ų170115.7 Ų115.779%0.78765%0.65SS**THydrogen-bonded Turntrans-84.2-6.7-176.1-42.3-68.9000114.1L450L450-H452 VanDerWaalsContact C-N 3.31Å; L450-H452 PolarHBondContact O-N 2.74Å
453L61.4Low58.4Low101 Ų101118.1 Ų118.153%0.52965%0.652SS.*SBendtrans-100.1147-179.2-72.5163.9000111R446 L450R446-L453 VanDerWaalsContact CZ-O 3.3Å; R446-L453 PolarHBondContact NH1-O 2.65Å; R446-L453 PolarHBondContact NH2-O 2.77Å; L450-L453 HydrophobicContact CD2-CD1 3.85Å
454P58.7Low59.6Low114 Ų114112.9 Ų112.974%0.7463%0.627SS**  trans-53.3146.4173.9-22.330.9000111.8R446 A456R446-P454 VanDerWaalsContact NH2-C 3.31Å; R446-P454 PolarHBondContact NH2-O 3.42Å; R446-P454 VanDerWaalsContact NH2-O 3.14Å; P454-A456 PolarHBondContact O-N 2.58Å
455A51.7Low61.1Low88 Ų88112.3 Ų112.373%0.72761%0.611SS**  trans-58.896.7177.500000111.9
456A54.8Low62.5Low79 Ų79106.2 Ų106.265%0.65359%0.594SS**PPolyproline II helixtrans-73.1134.7159.600000108.2P454 S458P454-A456 PolarHBondContact O-N 2.58Å; A456-S458 PolarHBondContact O-N 3.45Å; A456-S458 VanDerWaalsContact O-N 3.15Å
457P47.7Very low63.7Low112 Ų112102.6 Ų102.673%0.72758%0.583SS**PPolyproline II helixtrans-58.5122.6178.323-31.4000109.1S459P457-S459 PolarHBondContact O-N 2.93Å; P457-S459 VanDerWaalsContact O-N 3.13Å
458S50.8Low64.7Low94 Ų94104.4 Ų104.466%0.65759%0.587SS**PPolyproline II helixtrans-54.6117.2170.5171.80000108.2A456 K460A456-S458 PolarHBondContact O-N 3.45Å; A456-S458 VanDerWaalsContact O-N 3.15Å; S458-K460 VanDerWaalsContact C-N 3.32Å; S458-K460 PolarHBondContact O-N 3.21Å
459S43.7Very low65.3Low110 Ų110104.8 Ų104.877%0.76959%0.585SS**  trans-67.795.716953.50000107.2P457 L461P457-S459 PolarHBondContact O-N 2.93Å; P457-S459 VanDerWaalsContact O-N 3.13Å; S459-L461 PolarHBondContact O-N 3.2Å
460K50.3Low65.7Low144 Ų144106.1 Ų106.163%0.62658%0.58SS**  trans-53.6125.9167.1-68.6-174.4177-176.30107S458 H462 E464S458-K460 VanDerWaalsContact C-N 3.32Å; S458-K460 PolarHBondContact O-N 3.21Å; K460-H462 WeakPolarHBondContact CB-O 3.33Å; K460-H462 PolarHBondContact O-N 2.93Å; K460-H462 VanDerWaalsContact O-N 3.1Å; K460-E464 IonicContact NZ-OE2 2.75Å
461L50.8Low66.3Low180 Ų180105.2 Ų105.294%0.94257%0.57SS**SBendtrans-60.9-18.3179.2-163.680.3000112.1S459S459-L461 PolarHBondContact O-N 3.2Å
462H53.6Low65.2Low103 Ų103104.8 Ų104.848%0.47759%0.585SS.*SBendtrans-125.5118.3169.7-114.885.2000109.2P295 K460 E464P295-H462 WeakPolarHBondContact CD-CD2 3.11Å; P295-H462 WeakPolarHBondContact CD-NE2 3.44Å; P295-H462 HydrophobicContact CG-CB 4.29Å; K460-H462 WeakPolarHBondContact CB-O 3.33Å; K460-H462 PolarHBondContact O-N 2.93Å; K460-H462 VanDerWaalsContact O-N 3.1Å; H462-E464 PolarHBondContact O-N 3.1Å
463E62.4Low63.8Low184 Ų18499.4 Ų99.486%0.8658%0.575SS**  trans-77.797.6172.2-160.7167.3-16700107.2E465E463-E465 PolarHBondContact O-N 3.21Å
464E78.4Confident63.2Low79 Ų79101.6 Ų101.637%0.36960%0.595SS.*  trans-65.4114.3173-72.4177.1141.900108.4T313 K460 H462T313-E464 WeakPolarHBondContact OG1-CA 3.48Å; K460-E464 IonicContact NZ-OE2 2.75Å; H462-E464 PolarHBondContact O-N 3.1Å
465E86.4Confident62.1Low68 Ų6899.1 Ų99.132%0.31859%0.591SS.*PPolyproline II helixtrans-64.2125.2173.6-172.6-178.6-169.200108.9K297 G312 T313 E463 R471K297-E465 IonicContact NZ-OE1 3.46Å; K297-E465 PolarHBondContact NZ-OE1 2.92Å; K297-E465 IonicContact NZ-OE2 2.66Å; K297-E465 PolarHBondContact NZ-OE2 2.9Å; G312-E465 CarbonylContact C-O 3.39Å; G312-E465 WeakPolarHBondContact CA-O 3.17Å; T313-E465 HydrophobicContact CG2-CB 4.09Å; T313-E465 PolarHBondContact N-O 2.81Å; T313-E465 PolarHBondContact OG1-N 2.87Å; E463-E465 PolarHBondContact O-N 3.21Å; E465-R471 VanDerWaalsContact CD-CZ 3.43Å; E465-R471 IonicContact OE1-CZ 3.15Å; E465-R471 IonicContact OE1-NE 3.2Å; E465-R471 PolarHBondContact OE1-NE 3.33Å; E465-R471 IonicContact OE1-NH1 3.77Å; E465-R471 PolarHBondContact OE1-NH1 2.73Å; E465-R471 VanDerWaalsContact OE1-NH1 3.07Å; E465-R471 IonicContact OE1-NH2 3.91Å; E465-R471 PolarHBondContact OE1-NH2 2.95Å; E465-R471 IonicContact OE2-NH2 3.5Å
466P87.3Confident61.3Low59 Ų5998.6 Ų98.638%0.38359%0.593SS.*PPolyproline II helixtrans-70.2158.5178.927.6-32.8000111.4L470 R471P466-L470 HydrophobicContact CB-CB 4.26Å; P466-R471 HydrophobicContact CG-CG 4.05Å; P466-R471 PolarHBondContact O-NE 3.39Å; P466-R471 PolarHBondContact O-NH2 3.13Å
467P85.3Confident60.2Low19 Ų19103.6 Ų103.612%0.12360%0.603CS.*PPolyproline II helixtrans-52.1147.6168-26.434000112.7F309 W343 N469 L470 R471F309-P467 HydrophobicContact CZ-CB 4.49Å; W343-P467 HydrophobicContact CH2-CB 3.76Å; W343-P467 HydrophobicContact CH2-CG 3.57Å; W343-P467 HydrophobicContact CZ2-CB 4.45Å; W343-P467 HydrophobicContact CZ2-CG 3.9Å; P467-N469 VanDerWaalsContact C-N 3.27Å; P467-N469 VanDerWaalsContact CB-OD1 3.27Å; P467-N469 WeakPolarHBondContact CB-OD1 3.45Å; P467-N469 PolarHBondContact O-N 3.1Å; P467-L470 HydrophobicContact CG-CD1 4.28Å; P467-L470 CarbonylContact O-C 3.51Å; P467-L470 WeakPolarHBondContact O-CA 3.16Å; P467-L470 PolarHBondContact O-N 3.41Å; P467-R471 PolarHBondContact O-N 3.05Å
468Q88.7Confident59.6Low93 Ų93106.7 Ų106.744%0.43561%0.605SS.*G310 helixtrans-55.3-37.3-173.9-178179.5-5.300113.9F309 D310 L470 R471F309-Q468 HydrophobicContact CD2-CB 4.35Å; F309-Q468 HydrophobicContact CE2-CB 3.96Å; F309-Q468 HydrophobicContact CZ-CB 4.25Å; D310-Q468 HydrophobicContact CB-CB 4.34Å; D310-Q468 WeakPolarHBondContact O-CB 3.38Å; D310-Q468 PolarHBondContact O-N 2.7Å; Q468-L470 VanDerWaalsContact C-N 3.26Å; Q468-L470 PolarHBondContact O-N 2.76Å; Q468-R471 WeakPolarHBondContact O-CB 3.33Å; Q468-R471 PolarHBondContact O-N 3.24Å
469N82.1Confident59.1Low80 Ų80107.9 Ų107.943%0.42861%0.613SS.*G310 helixtrans-69.2-22.3176.362.9-22.6000113.9F309 Y348 P467F309-N469 HydrophobicContact CE2-CB 4.09Å; F309-N469 HydrophobicContact CZ-CB 4.14Å; Y348-N469 PolarHBondContact O-ND2 3.15Å; P467-N469 VanDerWaalsContact C-N 3.27Å; P467-N469 VanDerWaalsContact CB-OD1 3.27Å; P467-N469 WeakPolarHBondContact CB-OD1 3.45Å; P467-N469 PolarHBondContact O-N 3.1Å
470L78.1Confident59Low114 Ų114105.8 Ų105.860%0.59759%0.593SS**G310 helixtrans-95.9-7.2174.5-63.3177000112P466 P467 Q468 T472P466-L470 HydrophobicContact CB-CB 4.26Å; P467-L470 HydrophobicContact CG-CD1 4.28Å; P467-L470 CarbonylContact O-C 3.51Å; P467-L470 WeakPolarHBondContact O-CA 3.16Å; P467-L470 PolarHBondContact O-N 3.41Å; Q468-L470 VanDerWaalsContact C-N 3.26Å; Q468-L470 PolarHBondContact O-N 2.76Å; L470-T472 PolarHBondContact O-N 2.94Å
471R79.3Confident59.1Low68 Ų68102.3 Ų102.326%0.25759%0.587SS.*SBendtrans-73.1109.8165.9-62.8177.1-163.6162.310.4107.2D310 E465 P466 P467 Q468 G473D310-R471 IonicContact OD1-NH2 2.63Å; D310-R471 PolarHBondContact OD1-NH2 2.87Å; D310-R471 IonicContact OD2-CZ 2.74Å; D310-R471 VanDerWaalsContact OD2-CZ 3.24Å; D310-R471 IonicContact OD2-NH1 2.94Å; D310-R471 PolarHBondContact OD2-NH1 3.14Å; D310-R471 IonicContact OD2-NH2 2.83Å; D310-R471 PolarHBondContact OD2-NH2 2.91Å; E465-R471 VanDerWaalsContact CD-CZ 3.43Å; E465-R471 IonicContact OE1-CZ 3.15Å; E465-R471 IonicContact OE1-NE 3.2Å; E465-R471 PolarHBondContact OE1-NE 3.33Å; E465-R471 IonicContact OE1-NH1 3.77Å; E465-R471 PolarHBondContact OE1-NH1 2.73Å; E465-R471 VanDerWaalsContact OE1-NH1 3.07Å; E465-R471 IonicContact OE1-NH2 3.91Å; E465-R471 PolarHBondContact OE1-NH2 2.95Å; E465-R471 IonicContact OE2-NH2 3.5Å; P466-R471 HydrophobicContact CG-CG 4.05Å; P466-R471 PolarHBondContact O-NE 3.39Å; P466-R471 PolarHBondContact O-NH2 3.13Å; P467-R471 PolarHBondContact O-N 3.05Å; Q468-R471 WeakPolarHBondContact O-CB 3.33Å; Q468-R471 PolarHBondContact O-N 3.24Å; R471-G473 PolarHBondContact O-N 3.2Å; R471-G473 VanDerWaalsContact O-N 3.17Å
472T47.4Very low59.3Low142 Ų142102.4 Ų102.487%0.87158%0.58SS**  trans-50.3122.7164.8450000108.6L470L470-T472 PolarHBondContact O-N 2.94Å
473G41.4Very low59.3Low57 Ų57102.1 Ų102.159%0.58859%0.586SS**  trans-69.9-165.6-146.400000120.4R471 G475R471-G473 PolarHBondContact O-N 3.2Å; R471-G473 VanDerWaalsContact O-N 3.17Å; G473-G475 PolarHBondContact O-N 3.15Å; G473-G475 VanDerWaalsContact O-N 3.09Å
474P47.8Very low59Low146 Ų14694.9 Ų94.995%0.94856%0.557SS**SBendtrans-79.992.2-174.132.6-31000110.4
475G36.9Very low58.2Low63 Ų6394.6 Ų94.665%0.64956%0.558SS**SBendtrans-176.778.6176.300000106.5G473 E477G473-G475 PolarHBondContact O-N 3.15Å; G473-G475 VanDerWaalsContact O-N 3.09Å; G475-E477 PolarHBondContact O-N 3.14Å
476G33.6Very low57Low76 Ų7699 Ų9978%0.78458%0.576SS**  trans-65.776.5-171.400000113.2K478G476-K478 PolarHBondContact O-N 2.87Å
477E31.8Very low56.1Low185 Ų185100.6 Ų100.686%0.86458%0.581SS**  trans-62.998.3135-84.6-165.7158.500105.7G475 S479G475-E477 PolarHBondContact O-N 3.14Å; E477-S479 VanDerWaalsContact C-N 3.27Å; E477-S479 PolarHBondContact O-N 2.82Å
478K36Very low55.4Low177 Ų177103.7 Ų103.777%0.7759%0.594SS**  trans-48.7100.9165.3-69.2172.6179.8172.40106.2G476 L480G476-K478 PolarHBondContact O-N 2.87Å; K478-L480 HydrophobicContact CB-CD2 4.17Å; K478-L480 HydrophobicContact CB-CG 4.14Å; K478-L480 PolarHBondContact O-N 2.88Å
479S39.2Very low54.7Low118 Ų118107.6 Ų107.683%0.82561%0.605SS**  trans-6581.3157.463.80000105E477 S481E477-S479 VanDerWaalsContact C-N 3.27Å; E477-S479 PolarHBondContact O-N 2.82Å; S479-S481 PolarHBondContact O-N 2.91Å
480L42.2Very low54.1Low66 Ų66110.8 Ų110.835%0.34662%0.615SS.*  trans-52129.9176-73.6170.6000105.9K478 A484 L485K478-L480 HydrophobicContact CB-CD2 4.17Å; K478-L480 HydrophobicContact CB-CG 4.14Å; K478-L480 PolarHBondContact O-N 2.88Å; L480-A484 HydrophobicContact CB-CB 3.76Å; L480-A484 HydrophobicContact CD2-CB 3.99Å; L480-A484 HydrophobicContact CG-CB 4.4Å; L480-L485 HydrophobicContact CB-CD1 4.01Å; L480-L485 WeakPolarHBondContact O-CD1 3.37Å
481S51.8Low53.8Low72 Ų72115 Ų11550%0.50362%0.623SS.*  trans-50.3151.8177.875.70000109.5S479 T483 A484 L485S479-S481 PolarHBondContact O-N 2.91Å; S481-T483 CarbonylContact O-C 3.56Å; S481-T483 PolarHBondContact O-N 3.47Å; S481-A484 WeakPolarHBondContact O-CA 3.37Å; S481-A484 WeakPolarHBondContact O-CB 3.49Å; S481-A484 PolarHBondContact O-N 2.83Å; S481-A484 PolarHBondContact OG-N 2.98Å; S481-L485 PolarHBondContact O-N 3.32Å
482K55.2Low53.6Low182 Ų182116.8 Ų116.879%0.79163%0.634SS**Hα-helixtrans-49.6-28178.6-74.8-177.6176176.80112.3K486K482-K486 WeakPolarHBondContact O-CB 3.32Å; K482-K486 PolarHBondContact O-N 3.44Å; K482-K486 VanDerWaalsContact O-N 3.13Å
483T54.1Low54.8Low97 Ų97113 Ų11360%0.59562%0.617SS**Hα-helixtrans-71.4-41.3173.4-33.30000113.1S481 K486 N487S481-T483 CarbonylContact O-C 3.56Å; S481-T483 PolarHBondContact O-N 3.47Å; T483-K486 PolarHBondContact O-N 3.49Å; T483-N487 WeakPolarHBondContact O-CB 3.46Å; T483-N487 PolarHBondContact O-N 3.29Å
484A56.8Low56.2Low31 Ų31118 Ų11826%0.25662%0.623SS.*Hα-helixtrans-70.6-39176.200000112.4L480 S481 K486 N487 Q488L480-A484 HydrophobicContact CB-CB 3.76Å; L480-A484 HydrophobicContact CD2-CB 3.99Å; L480-A484 HydrophobicContact CG-CB 4.4Å; S481-A484 WeakPolarHBondContact O-CA 3.37Å; S481-A484 WeakPolarHBondContact O-CB 3.49Å; S481-A484 PolarHBondContact O-N 2.83Å; S481-A484 PolarHBondContact OG-N 2.98Å; A484-K486 VanDerWaalsContact C-N 3.35Å; A484-K486 PolarHBondContact O-N 3.47Å; A484-N487 PolarHBondContact O-N 3.13Å; A484-Q488 VanDerWaalsContact O-CB 3.32Å; A484-Q488 WeakPolarHBondContact O-CB 3.43Å; A484-Q488 PolarHBondContact O-N 3.4Å
485L60.7Low57.3Low74 Ų74118.6 Ų118.639%0.38761%0.61SS.*Hα-helixtrans-64.4-37.5171.9-111.5124.7000112.2L480 S481 Q488 R489L480-L485 HydrophobicContact CB-CD1 4.01Å; L480-L485 WeakPolarHBondContact O-CD1 3.37Å; S481-L485 PolarHBondContact O-N 3.32Å; L485-Q488 PolarHBondContact O-N 3.19Å; L485-R489 WeakPolarHBondContact O-CB 3.32Å; L485-R489 WeakPolarHBondContact O-CG 3.43Å; L485-R489 PolarHBondContact O-N 3.07Å
486K61.9Low58.8Low159 Ų159118.2 Ų118.269%0.69160%0.601SS**Hα-helixtrans-68.8-37.9175.7-160.8174.6-174.3178.80111.8K482 T483 A484 K490K482-K486 WeakPolarHBondContact O-CB 3.32Å; K482-K486 PolarHBondContact O-N 3.44Å; K482-K486 VanDerWaalsContact O-N 3.13Å; T483-K486 PolarHBondContact O-N 3.49Å; A484-K486 VanDerWaalsContact C-N 3.35Å; A484-K486 PolarHBondContact O-N 3.47Å; K486-K490 VanDerWaalsContact O-CB 3.22Å; K486-K490 WeakPolarHBondContact O-CB 3.44Å; K486-K490 PolarHBondContact O-N 3.38Å
487N67.1Low60.4Low93 Ų93117.8 Ų117.850%0.49759%0.59SS.*Hα-helixtrans-72.7-33175.2-76.6-17.6000112.8T483 A484 K490 R491T483-N487 WeakPolarHBondContact O-CB 3.46Å; T483-N487 PolarHBondContact O-N 3.29Å; A484-N487 PolarHBondContact O-N 3.13Å; N487-K490 PolarHBondContact O-N 2.94Å; N487-R491 WeakPolarHBondContact O-CB 3.33Å; N487-R491 WeakPolarHBondContact O-CG 3.48Å; N487-R491 PolarHBondContact O-N 3.47Å
488Q71.4Confident61.7Low84 Ų84117.4 Ų117.439%0.39359%0.586SS.*Hα-helixtrans-67.4-50.6173.1-175175.3700110.8A484 L485 K490 R491 E492A484-Q488 VanDerWaalsContact O-CB 3.32Å; A484-Q488 WeakPolarHBondContact O-CB 3.43Å; A484-Q488 PolarHBondContact O-N 3.4Å; L485-Q488 PolarHBondContact O-N 3.19Å; Q488-K490 VanDerWaalsContact C-N 3.25Å; Q488-K490 PolarHBondContact O-N 2.85Å; Q488-R491 CarbonylContact O-C 3.59Å; Q488-R491 PolarHBondContact O-N 2.88Å; Q488-E492 VanDerWaalsContact CG-OE1 3.32Å; Q488-E492 WeakPolarHBondContact CG-OE1 3.43Å; Q488-E492 PolarHBondContact NE2-OE1 2.93Å; Q488-E492 VanDerWaalsContact NE2-OE1 3.14Å; Q488-E492 WeakPolarHBondContact O-CB 3.47Å; Q488-E492 WeakPolarHBondContact O-CG 3.43Å; Q488-E492 PolarHBondContact O-N 2.95Å
489R73.3Confident62.5Low176 Ų176115.6 Ų115.666%0.66458%0.584SS**Hα-helixtrans-58.9-35.8173.6-75.2-176178.1-174-0.3112.6L485 A493L485-R489 WeakPolarHBondContact O-CB 3.32Å; L485-R489 WeakPolarHBondContact O-CG 3.43Å; L485-R489 PolarHBondContact O-N 3.07Å; R489-A493 WeakPolarHBondContact O-CB 3.5Å; R489-A493 PolarHBondContact O-N 3.5Å
490K70.6Confident62.9Low146 Ų146118.7 Ų118.764%0.63559%0.585SS**Hα-helixtrans-71.2-31.4175.9-162.1175.8-174.4-177.30112.7K486 N487 Q488 K494K486-K490 VanDerWaalsContact O-CB 3.22Å; K486-K490 WeakPolarHBondContact O-CB 3.44Å; K486-K490 PolarHBondContact O-N 3.38Å; N487-K490 PolarHBondContact O-N 2.94Å; Q488-K490 VanDerWaalsContact C-N 3.25Å; Q488-K490 PolarHBondContact O-N 2.85Å; K490-K494 WeakPolarHBondContact O-CB 3.22Å; K490-K494 PolarHBondContact O-N 2.96Å; K490-K494 VanDerWaalsContact O-N 3.16Å
491R71.1Confident63Low203 Ų203119.1 Ų119.177%0.76660%0.599SS**Hα-helixtrans-75.3-39.5172.9-82.7-179.9174.6-178.9-1.7111.9N487 Q488 K494 K495N487-R491 WeakPolarHBondContact O-CB 3.33Å; N487-R491 WeakPolarHBondContact O-CG 3.48Å; N487-R491 PolarHBondContact O-N 3.47Å; Q488-R491 CarbonylContact O-C 3.59Å; Q488-R491 PolarHBondContact O-N 2.88Å; R491-K494 PolarHBondContact O-N 2.82Å; R491-K495 WeakPolarHBondContact O-CB 3.49Å; R491-K495 PolarHBondContact O-N 3.03Å
492E75.1Confident62.2Low105 Ų105123.3 Ų123.349%0.49161%0.608SS.*Hα-helixtrans-67.6-41.9176-73.8167-176.700111.2Q488 K494 K495 A496Q488-E492 VanDerWaalsContact CG-OE1 3.32Å; Q488-E492 WeakPolarHBondContact CG-OE1 3.43Å; Q488-E492 PolarHBondContact NE2-OE1 2.93Å; Q488-E492 VanDerWaalsContact NE2-OE1 3.14Å; Q488-E492 WeakPolarHBondContact O-CB 3.47Å; Q488-E492 WeakPolarHBondContact O-CG 3.43Å; Q488-E492 PolarHBondContact O-N 2.95Å; E492-K494 PolarHBondContact O-N 3.27Å; E492-K495 WeakPolarHBondContact O-CB 3.22Å; E492-K495 PolarHBondContact O-N 2.83Å; E492-K495 VanDerWaalsContact O-N 3.1Å; E492-A496 WeakPolarHBondContact O-CB 3.46Å; E492-A496 PolarHBondContact O-N 3.05Å
493A72.4Confident61.2Low62 Ų62120.5 Ų120.551%0.51261%0.608SS.*Hα-helixtrans-64-37.5172.500000112.9R489 K495 A497R489-A493 WeakPolarHBondContact O-CB 3.5Å; R489-A493 PolarHBondContact O-N 3.5Å; A493-K495 VanDerWaalsContact C-N 3.31Å; A493-A497 WeakPolarHBondContact O-CB 3.39Å; A493-A497 PolarHBondContact O-N 3.26Å
494K70.4Confident60.1Low164 Ų164121.5 Ų121.571%0.71361%0.61SS**Hα-helixtrans-68.5-28.4171.8-101.4-171.5171.8-170.40113.1K490 R491 E492 K498K490-K494 WeakPolarHBondContact O-CB 3.22Å; K490-K494 PolarHBondContact O-N 2.96Å; K490-K494 VanDerWaalsContact O-N 3.16Å; R491-K494 PolarHBondContact O-N 2.82Å; E492-K494 PolarHBondContact O-N 3.27Å; K494-K498 PolarHBondContact O-N 3.25Å
495K72.5Confident59.2Low157 Ų157125.4 Ų125.468%0.68363%0.633SS**Hα-helixtrans-76.5-41.1176-122.9-179.9176.3-172.30111.1R491 E492 A493 K498 L499R491-K495 WeakPolarHBondContact O-CB 3.49Å; R491-K495 PolarHBondContact O-N 3.03Å; E492-K495 WeakPolarHBondContact O-CB 3.22Å; E492-K495 PolarHBondContact O-N 2.83Å; E492-K495 VanDerWaalsContact O-N 3.1Å; A493-K495 VanDerWaalsContact C-N 3.31Å; K495-K498 PolarHBondContact O-N 3.45Å; K495-L499 PolarHBondContact O-N 3.1Å
496A68.3Low57.7Low56 Ų56129.8 Ų129.846%0.46365%0.651SS.*Hα-helixtrans-63.7-43.9174.900000111.9E492 K498 L499 E500E492-A496 WeakPolarHBondContact O-CB 3.46Å; E492-A496 PolarHBondContact O-N 3.05Å; A496-K498 PolarHBondContact O-N 3.2Å; A496-L499 PolarHBondContact O-N 3.29Å; A496-E500 PolarHBondContact O-N 3.02Å
497A65.6Low56.4Low67 Ų67127.6 Ų127.655%0.55465%0.653SS**Hα-helixtrans-65.6-20.2175.900000114A493A493-A497 WeakPolarHBondContact O-CB 3.39Å; A493-A497 PolarHBondContact O-N 3.26Å
498K60.2Low54.5Low176 Ų176131.1 Ų131.177%0.76567%0.667SS**Hα-helixtrans-88.7-13.9175.6-141.8-179.3-175.6-169.70112.8K494 K495 A496K494-K498 PolarHBondContact O-N 3.25Å; K495-K498 PolarHBondContact O-N 3.45Å; A496-K498 PolarHBondContact O-N 3.2Å
499L53.4Low52.2Low140 Ų140133.2 Ų133.273%0.73369%0.691SS**Hα-helixtrans-93.1-18.1177.2-81.2157.9000112.7K495 A496K495-L499 PolarHBondContact O-N 3.1Å; A496-L499 PolarHBondContact O-N 3.29Å
500E45.8Very low50.1Low182 Ų182129.4 Ų129.485%0.8570%0.696SS**SBendtrans-85.9-6.5173.3-74.5-169.5159.500114.3A496 K502A496-E500 PolarHBondContact O-N 3.02Å; E500-K502 PolarHBondContact O-N 3.16Å
501A44.5Very low48.3Very low76 Ų76128.4 Ų128.463%0.62871%0.705SS**  trans-97.479.8171.900000110.2
502K36.8Very low46.3Very low160 Ų160123.1 Ų123.170%0.69671%0.705SS**  trans-81.9141.1161.3-93.4-168.6162.8-148.40110.1E500 D504E500-K502 PolarHBondContact O-N 3.16Å; K502-D504 IonicContact NZ-OD2 2.74Å; K502-D504 PolarHBondContact NZ-OD2 3.35Å
503P33.9Very low44.1Very low122 Ų122124 Ų12479%0.79272%0.72SS**  -126.9137.6127.232.1-20.3000111
504D30.7Very low42.2Very low119 Ų119127.6 Ų127.664%0.63674%0.735SS**  trans-99.8168.7166.1-82.5-47.2000108.7K502K502-D504 IonicContact NZ-OD2 2.74Å; K502-D504 PolarHBondContact NZ-OD2 3.35Å
505P37.1Very low40Very low113 Ų113125.5 Ų125.573%0.73474%0.741SS**  cis-132.2158.3-47.136.5-19.9000114.2
506E30.4Very low37.9Very low165 Ų165126.9 Ų126.977%0.77175%0.749SS**  trans29.4153.7147-89.9-173.7-162.800124.9
507P34.2Very low36.1Very low114 Ų114128.9 Ų128.974%0.7476%0.76SS**  -148.2154.250.738.2-15.5000121.2
508Q26.1Very low34.3Very low167 Ų167134.1 Ų134.178%0.7877%0.773SS**  trans30124.2143.7-60.3-178.1-2.800123.3
509S24.8Very low33Very low128 Ų128131.4 Ų131.490%0.89578%0.776SS**  -174.7145.8123.842.30000111.6
510A27.2Very low31.9Very low95 Ų95133.8 Ų133.879%0.78578%0.784SS**  trans-121.5177.6172.400000108.5
511P33.2Very low31.2Very low125 Ų125130 Ų13081%0.81278%0.783SS**  cis-127.5-175.6-9.128.7-5.1000113.9
512A30.5Very low30.7Very low93 Ų93131.9 Ų131.977%0.76979%0.792SS**  trans-45.2165.2-173.200000119.2
513P28.4Very low30.9Very low123 Ų123130.1 Ų130.180%0.79980%0.8SS**  -132.7155.6117.634.6-22.2000115.3
514V32.3Very low31.2Very low138 Ų138126.7 Ų126.784%0.83679%0.786SS**  trans-65.9139.1172-119.60000111.9
515S25.1Very low32.2Very low120 Ų120122.9 Ų122.984%0.83977%0.769SS**  trans-153.3117154.9-65.90000112
516H28.3Very low32.9Very low185 Ų185121.7 Ų121.786%0.85678%0.778SS**  trans-51.1150.7151.4-80.1-81.1000109.5
517S28.6Very low34.5Very low99 Ų99117.5 Ų117.569%0.69276%0.76SS**  cis177.9154.349.336.20000104.3
518Q29.1Very low36.1Very low177 Ų177116.5 Ų116.583%0.82775%0.754SS**  -174.8137.881.5-89.8174.8-18.500109.4
519S33.5Very low38.1Very low118 Ų118114.7 Ų114.783%0.82575%0.746SS**  trans-65.8130.4161.344.60000111
520E30.5Very low40.5Very low191 Ų191110.3 Ų110.389%0.89371%0.711SS**  trans-118.3136157.6-83.9-169.5156.600110.8
521A29.5Very low42.8Very low101 Ų101108.7 Ų108.784%0.83569%0.69SS**  trans-74130.7-16400000112.7S523A521-S523 PolarHBondContact O-N 3.08Å
522S34.4Very low45Very low117 Ų117109.7 Ų109.782%0.81868%0.681SS**  trans-82.3106.9160.957.20000109.2G524S522-G524 VanDerWaalsContact C-N 3.27Å; S522-G524 PolarHBondContact O-N 3.14Å
523S41.2Very low47.3Very low123 Ų123110.7 Ų110.786%0.8667%0.668SS**  trans-66.588.5158.2530000108.6A521A521-S523 PolarHBondContact O-N 3.08Å
524G39.5Very low49.9Very low49 Ų49106 Ų10651%0.50564%0.636SS.*  trans-80.3123.317000000109.6S522 G526S522-G524 VanDerWaalsContact C-N 3.27Å; S522-G524 PolarHBondContact O-N 3.14Å; G524-G526 PolarHBondContact O-N 2.74Å
525S53.5Low52.2Low39 Ų39106.7 Ų106.727%0.27363%0.628SS.*  trans-64.6130158.3570000106.9D527S525-D527 PolarHBondContact O-N 2.99Å
526G50.9Low54.9Low89 Ų89105.6 Ų105.692%0.91861%0.613SS**SBendtrans-67.426.3-16200000117.7G524G524-G526 PolarHBondContact O-N 2.74Å
527D63.5Low57.6Low76 Ų7697.1 Ų97.141%0.40657%0.574SS.*  trans-120.1111.5179.1-173.3-9.5000112.2S525 E529 M530 D531S525-D527 PolarHBondContact O-N 2.99Å; D527-E529 PolarHBondContact O-N 3Å; D527-E529 VanDerWaalsContact O-N 3.14Å; D527-E529 PolarHBondContact OD1-N 3.11Å; D527-M530 HydrophobicContact CB-CB 4.07Å; D527-M530 WeakPolarHBondContact O-CB 3.44Å; D527-M530 PolarHBondContact O-N 3.43Å; D527-M530 VanDerWaalsContact O-N 3.08Å; D527-D531 PolarHBondContact O-N 3.39Å
528P68Low60.3Low94 Ų9495.5 Ų95.561%0.6156%0.557SS**Hα-helixtrans-64.6-15.8-17925-32.7000114.6K532P528-K532 WeakPolarHBondContact O-CG 3.41Å
529E68.3Low63.2Low129 Ų12994.4 Ų94.460%0.60355%0.55SS*.Hα-helixtrans-79.4-34.9172.2-66.6-157.6156.900112.7D527 K532 K533D527-E529 PolarHBondContact O-N 3Å; D527-E529 VanDerWaalsContact O-N 3.14Å; D527-E529 PolarHBondContact OD1-N 3.11Å; E529-K532 PolarHBondContact O-N 3.11Å; E529-K533 WeakPolarHBondContact O-CG 3.37Å; E529-K533 PolarHBondContact O-N 3.28Å; E529-K533 VanDerWaalsContact O-N 3.11Å
530M74.1Confident65.8Low35 Ų3594.5 Ų94.517%0.17254%0.535CS..Hα-helixtrans-65-45.1177.4-158.594.9165.400110.4D527 K532 K533 I534 L578 K581D527-M530 HydrophobicContact CB-CB 4.07Å; D527-M530 WeakPolarHBondContact O-CB 3.44Å; D527-M530 PolarHBondContact O-N 3.43Å; D527-M530 VanDerWaalsContact O-N 3.08Å; M530-K532 VanDerWaalsContact C-N 3.34Å; M530-K532 PolarHBondContact O-N 3.17Å; M530-K533 WeakPolarHBondContact O-CB 3.35Å; M530-K533 PolarHBondContact O-N 3.03Å; M530-K533 VanDerWaalsContact O-N 3.1Å; M530-I534 HydrophobicContact CG-CD1 4.36Å; M530-I534 WeakPolarHBondContact O-CG1 3.43Å; M530-I534 PolarHBondContact O-N 3.42Å; M530-L578 HydrophobicContact CE-CB 3.99Å; M530-L578 HydrophobicContact CE-CD2 3.42Å; M530-L578 VanDerWaalsContact CE-CD2 3.42Å; M530-L578 HydrophobicContact CE-CG 4.3Å; M530-L578 WeakPolarHBondContact CE-O 3.45Å; M530-L578 HydrophobicContact CG-CD2 4.46Å; M530-L578 HydrophobicContact SD-CD2 3.69Å; M530-K581 HydrophobicContact CE-CB 4.41Å
531D75.6Confident68.5Low62 Ų6286.5 Ų86.533%0.33250%0.498SS..Hα-helixtrans-62.1-37.6177.2-84.3-16.1000113.1D527 K535D527-D531 PolarHBondContact O-N 3.39Å; D531-K535 WeakPolarHBondContact O-CB 3.49Å; D531-K535 WeakPolarHBondContact O-CG 3.46Å; D531-K535 PolarHBondContact O-N 3.14Å
532K79.7Confident71.2Confident145 Ų14590.6 Ų90.663%0.6349%0.492SS*.Hα-helixtrans-66.4-39.4174-77.9178.2-175.9171.70111.4P528 E529 M530 N536P528-K532 WeakPolarHBondContact O-CG 3.41Å; E529-K532 PolarHBondContact O-N 3.11Å; M530-K532 VanDerWaalsContact C-N 3.34Å; M530-K532 PolarHBondContact O-N 3.17Å; K532-N536 WeakPolarHBondContact O-CB 3.2Å; K532-N536 VanDerWaalsContact O-CG 3.27Å; K532-N536 PolarHBondContact O-N 3.1Å; K532-N536 PolarHBondContact O-ND2 2.89Å
533K80.1Confident73.5Confident115 Ų11587.3 Ų87.350%0.547%0.472SS..Hα-helixtrans-65.2-45.9175.9-74.4174.8-176.61670111.2E529 M530 K535 N536 L537 L578E529-K533 WeakPolarHBondContact O-CG 3.37Å; E529-K533 PolarHBondContact O-N 3.28Å; E529-K533 VanDerWaalsContact O-N 3.11Å; M530-K533 WeakPolarHBondContact O-CB 3.35Å; M530-K533 PolarHBondContact O-N 3.03Å; M530-K533 VanDerWaalsContact O-N 3.1Å; K533-K535 PolarHBondContact O-N 3.48Å; K533-N536 PolarHBondContact O-N 3.28Å; K533-N536 VanDerWaalsContact O-N 3.14Å; K533-L537 WeakPolarHBondContact O-CD1 3.47Å; K533-L537 PolarHBondContact O-N 3.45Å; K533-L578 HydrophobicContact CB-CD1 4.32Å
534I82.6Confident75.8Confident25 Ų2581.9 Ų81.913%0.12843%0.433CS..Hα-helixtrans-60.1-44.6177-66.5167.2000111.2M530 N536 L537 N538 L575 L578M530-I534 HydrophobicContact CG-CD1 4.36Å; M530-I534 WeakPolarHBondContact O-CG1 3.43Å; M530-I534 PolarHBondContact O-N 3.42Å; I534-N536 VanDerWaalsContact C-N 3.34Å; I534-N536 PolarHBondContact O-N 3.43Å; I534-L537 PolarHBondContact O-N 3.45Å; I534-N538 WeakPolarHBondContact O-CB 3.47Å; I534-N538 PolarHBondContact O-N 2.99Å; I534-N538 PolarHBondContact O-ND2 3.33Å; I534-L575 HydrophobicContact CG2-CD1 4.49Å; I534-L578 HydrophobicContact CD1-CB 4.45Å; I534-L578 HydrophobicContact CG1-CB 4.12Å
535K81.1Confident78.1Confident151 Ų15185.8 Ų85.866%0.65744%0.438SS*.Hα-helixtrans-61.4-39.9175.2-76175.6-177.1172.10112.6D531 K533 K539D531-K535 WeakPolarHBondContact O-CB 3.49Å; D531-K535 WeakPolarHBondContact O-CG 3.46Å; D531-K535 PolarHBondContact O-N 3.14Å; K533-K535 PolarHBondContact O-N 3.48Å; K535-K539 WeakPolarHBondContact O-CB 3.38Å; K535-K539 PolarHBondContact O-N 2.91Å; K535-K539 VanDerWaalsContact O-N 3.11Å
536N81.4Confident79.6Confident98 Ų9889.7 Ų89.752%0.52445%0.452SS..Hα-helixtrans-70.1-39178.3-76.8-25.3000112.8K532 K533 I534 K539 K540K532-N536 WeakPolarHBondContact O-CB 3.2Å; K532-N536 VanDerWaalsContact O-CG 3.27Å; K532-N536 PolarHBondContact O-N 3.1Å; K532-N536 PolarHBondContact O-ND2 2.89Å; K533-N536 PolarHBondContact O-N 3.28Å; K533-N536 VanDerWaalsContact O-N 3.14Å; I534-N536 VanDerWaalsContact C-N 3.34Å; I534-N536 PolarHBondContact O-N 3.43Å; N536-K539 PolarHBondContact O-N 2.97Å; N536-K540 WeakPolarHBondContact O-CG 3.44Å; N536-K540 PolarHBondContact O-N 3.37Å; N536-K540 VanDerWaalsContact O-N 3.17Å
537L85.4Confident81.3Confident7 Ų786.5 Ų86.54%0.03741%0.414CS..Hα-helixtrans-65.4-46.3174.8-91.5130.5000111.6K533 I534 K539 K540 L541 L571 E574 L575 L578K533-L537 WeakPolarHBondContact O-CD1 3.47Å; K533-L537 PolarHBondContact O-N 3.45Å; I534-L537 PolarHBondContact O-N 3.45Å; L537-K539 VanDerWaalsContact C-N 3.28Å; L537-K539 PolarHBondContact O-N 3.3Å; L537-K540 WeakPolarHBondContact O-CB 3.42Å; L537-K540 PolarHBondContact O-N 3Å; L537-L541 PolarHBondContact O-N 3.05Å; L537-L571 HydrophobicContact CD2-CB 4.11Å; L537-L571 HydrophobicContact CD2-CD2 3.75Å; L537-L571 VanDerWaalsContact CD2-O 3.29Å; L537-L571 WeakPolarHBondContact CD2-O 3.27Å; L537-E574 HydrophobicContact CD1-CG 4.23Å; L537-E574 HydrophobicContact CD2-CB 3.97Å; L537-E574 HydrophobicContact CD2-CG 4.11Å; L537-L575 HydrophobicContact CB-CD1 3.8Å; L537-L575 HydrophobicContact CD2-CB 4.48Å; L537-L578 HydrophobicContact CD1-CD1 3.6Å
538N84.1Confident82.3Confident64 Ų6487 Ų8734%0.34241%0.412SS..Hα-helixtrans-58.9-37.9175-81.3-37.4000112.8I534 L541 R542 L575I534-N538 WeakPolarHBondContact O-CB 3.47Å; I534-N538 PolarHBondContact O-N 2.99Å; I534-N538 PolarHBondContact O-ND2 3.33Å; N538-L541 PolarHBondContact O-N 3.12Å; N538-R542 PolarHBondContact O-N 3.09Å; N538-R542 VanDerWaalsContact O-N 3.12Å; N538-L575 VanDerWaalsContact OD1-CD1 3.29Å; N538-L575 WeakPolarHBondContact OD1-CD1 3.45Å
539K89.9Confident83.2Confident155 Ų15589.3 Ų89.367%0.67442%0.415SS*.Hα-helixtrans-65.9-36.4175.4-170.5176.7-179.51790112.5K535 N536 L537 A543K535-K539 WeakPolarHBondContact O-CB 3.38Å; K535-K539 PolarHBondContact O-N 2.91Å; K535-K539 VanDerWaalsContact O-N 3.11Å; N536-K539 PolarHBondContact O-N 2.97Å; L537-K539 VanDerWaalsContact C-N 3.28Å; L537-K539 PolarHBondContact O-N 3.3Å; K539-A543 PolarHBondContact O-N 3.42Å
540K87.7Confident83.8Confident119 Ų11985.5 Ų85.552%0.51740%0.398SS..Hα-helixtrans-69.7-39176-71.4174.3-177.6176.30111.8N536 L537 A543 I544 L571N536-K540 WeakPolarHBondContact O-CG 3.44Å; N536-K540 PolarHBondContact O-N 3.37Å; N536-K540 VanDerWaalsContact O-N 3.17Å; L537-K540 WeakPolarHBondContact O-CB 3.42Å; L537-K540 PolarHBondContact O-N 3Å; K540-A543 PolarHBondContact O-N 3.03Å; K540-I544 WeakPolarHBondContact O-CG1 3.29Å; K540-I544 PolarHBondContact O-N 3.31Å; K540-I544 VanDerWaalsContact O-N 3.14Å; K540-L571 HydrophobicContact CB-CD1 4.19Å; K540-L571 HydrophobicContact CD-CD2 4.42Å
541L87.7Confident84.2Confident23 Ų2388.6 Ų88.612%0.1241%0.411CS..Hα-helixtrans-64.7-44.3177.5-71.1170.5000112.1L537 N538 A543 I544 E545 E568 L571 L572 L575L537-L541 PolarHBondContact O-N 3.05Å; N538-L541 PolarHBondContact O-N 3.12Å; L541-A543 VanDerWaalsContact C-N 3.28Å; L541-A543 PolarHBondContact O-N 3.32Å; L541-I544 WeakPolarHBondContact O-CB 3.45Å; L541-I544 PolarHBondContact O-N 3.34Å; L541-E545 PolarHBondContact O-N 3.1Å; L541-E568 HydrophobicContact CD2-CG 4.06Å; L541-L571 HydrophobicContact CD2-CB 3.91Å; L541-L571 HydrophobicContact CG-CB 4.46Å; L541-L572 HydrophobicContact CD1-CD2 3.72Å; L541-L572 HydrophobicContact CD1-CG 4.35Å; L541-L572 HydrophobicContact CD2-CD2 4.09Å; L541-L572 HydrophobicContact CD2-CG 3.92Å; L541-L575 HydrophobicContact CD1-CD1 4.35Å
542R85.7Confident84.3Confident188 Ų18890 Ų9071%0.70943%0.431SS*.Hα-helixtrans-59.7-37.1173.9-72-175.4-171.3179.52113.2N538 I544 E545 E546N538-R542 PolarHBondContact O-N 3.09Å; N538-R542 VanDerWaalsContact O-N 3.12Å; R542-I544 VanDerWaalsContact C-N 3.29Å; R542-I544 PolarHBondContact O-N 3.39Å; R542-E545 PolarHBondContact O-N 3.47Å; R542-E546 PolarHBondContact O-N 3.14Å; R542-E546 VanDerWaalsContact O-N 3.09Å
543A84.3Confident84.4Confident48 Ų4887.3 Ų87.340%0.39743%0.431SS..Hα-helixtrans-69.8-27.2176.600000112.7K539 K540 L541 L547K539-A543 PolarHBondContact O-N 3.42Å; K540-A543 PolarHBondContact O-N 3.03Å; L541-A543 VanDerWaalsContact C-N 3.28Å; L541-A543 PolarHBondContact O-N 3.32Å; A543-L547 VanDerWaalsContact O-CG 3.27Å; A543-L547 WeakPolarHBondContact O-CG 3.27Å; A543-L547 PolarHBondContact O-N 3.48Å
544I89Confident84.1Confident8 Ų885 Ų854%0.04144%0.44CS..Hα-helixtrans-75.8-39.4173.6-70.6166.5000110.5K540 L541 R542 E546 L547 K548 K564 I565 E568 L571K540-I544 WeakPolarHBondContact O-CG1 3.29Å; K540-I544 PolarHBondContact O-N 3.31Å; K540-I544 VanDerWaalsContact O-N 3.14Å; L541-I544 WeakPolarHBondContact O-CB 3.45Å; L541-I544 PolarHBondContact O-N 3.34Å; R542-I544 VanDerWaalsContact C-N 3.29Å; R542-I544 PolarHBondContact O-N 3.39Å; I544-E546 PolarHBondContact O-N 3.19Å; I544-L547 WeakPolarHBondContact O-CB 3.29Å; I544-L547 PolarHBondContact O-N 3.2Å; I544-L547 VanDerWaalsContact O-N 3.1Å; I544-K548 PolarHBondContact O-N 2.98Å; I544-K564 VanDerWaalsContact CD1-O 3.29Å; I544-K564 WeakPolarHBondContact CD1-O 3.29Å; I544-I565 HydrophobicContact CG2-CB 4.44Å; I544-I565 HydrophobicContact CG2-CG1 4.22Å; I544-E568 HydrophobicContact CD1-CB 4.25Å; I544-E568 HydrophobicContact CG2-CB 4.09Å; I544-E568 HydrophobicContact CG2-CG 4.05Å; I544-L571 HydrophobicContact CD1-CD1 3.71Å
545E86.6Confident84Confident132 Ų13289.6 Ų89.662%0.61746%0.459SS*.Hα-helixtrans-59.6-44.5175.3-166.5172.1-16100111.6L541 R542 L547 K548 E549L541-E545 PolarHBondContact O-N 3.1Å; R542-E545 PolarHBondContact O-N 3.47Å; E545-L547 VanDerWaalsContact C-N 3.28Å; E545-L547 PolarHBondContact O-N 3.48Å; E545-K548 WeakPolarHBondContact O-CB 3.47Å; E545-K548 PolarHBondContact O-N 3.35Å; E545-K548 VanDerWaalsContact O-N 3.16Å; E545-E549 PolarHBondContact O-N 2.81Å
546E85.1Confident83.6Confident120 Ų12089.2 Ų89.256%0.56147%0.469SS*.Hα-helixtrans-64.2-31.2174.5-164.7-178.4178.500112.6R542 I544 Q550R542-E546 PolarHBondContact O-N 3.14Å; R542-E546 VanDerWaalsContact O-N 3.09Å; I544-E546 PolarHBondContact O-N 3.19Å; E546-Q550 VanDerWaalsContact O-CG 3.29Å; E546-Q550 WeakPolarHBondContact O-CG 3.45Å; E546-Q550 PolarHBondContact O-N 3.3Å
547L87.3Confident83.6Confident22 Ų2285.7 Ų85.712%0.11545%0.45CS..Hα-helixtrans-73.9-36.1173.9-72.2171.6000112.1A543 I544 E545 Q550 Q551 L557 Q561 I565A543-L547 VanDerWaalsContact O-CG 3.27Å; A543-L547 WeakPolarHBondContact O-CG 3.27Å; A543-L547 PolarHBondContact O-N 3.48Å; I544-L547 WeakPolarHBondContact O-CB 3.29Å; I544-L547 PolarHBondContact O-N 3.2Å; I544-L547 VanDerWaalsContact O-N 3.1Å; E545-L547 VanDerWaalsContact C-N 3.28Å; E545-L547 PolarHBondContact O-N 3.48Å; L547-Q550 PolarHBondContact O-N 3Å; L547-Q551 PolarHBondContact O-N 3.28Å; L547-L557 HydrophobicContact CD2-CD2 4.2Å; L547-Q561 HydrophobicContact CD1-CB 4.37Å; L547-Q561 HydrophobicContact CD2-CB 4.28Å; L547-Q561 HydrophobicContact CD2-CG 4.17Å; L547-I565 HydrophobicContact CB-CD1 4.02Å; L547-I565 HydrophobicContact CB-CG1 4.1Å
548K84.7Confident83.5Confident86 Ų8691.8 Ų91.837%0.37448%0.479SS..Hα-helixtrans-66.3-40.3173.6-79.1-178.7164.3178.80112I544 E545 Q550 Q551 A552 I565 E568I544-K548 PolarHBondContact O-N 2.98Å; E545-K548 WeakPolarHBondContact O-CB 3.47Å; E545-K548 PolarHBondContact O-N 3.35Å; E545-K548 VanDerWaalsContact O-N 3.16Å; K548-Q550 VanDerWaalsContact C-N 3.32Å; K548-Q550 PolarHBondContact O-N 3.12Å; K548-Q551 WeakPolarHBondContact O-CB 3.45Å; K548-Q551 PolarHBondContact O-N 3.29Å; K548-Q551 VanDerWaalsContact O-N 3.14Å; K548-A552 WeakPolarHBondContact O-CB 3.37Å; K548-A552 PolarHBondContact O-N 3.18Å; K548-I565 HydrophobicContact CG-CD1 4.4Å; K548-I565 HydrophobicContact CG-CG1 4.43Å; K548-I565 HydrophobicContact CG-CG2 4.01Å; K548-E568 WeakPolarHBondContact CE-OE2 3.46Å; K548-E568 IonicContact NZ-OE1 2.56Å; K548-E568 PolarHBondContact NZ-OE1 3.41Å; K548-E568 IonicContact NZ-OE2 3.9Å; K548-E568 PolarHBondContact NZ-OE2 3.3Å
549E86Confident83.1Confident143 Ų14396.5 Ų96.567%0.66850%0.496SS*.Hα-helixtrans-63.5-40175.5-166.5178.3-171.800111.1E545 Q551 A552 S553E545-E549 PolarHBondContact O-N 2.81Å; E549-Q551 VanDerWaalsContact C-N 3.33Å; E549-Q551 PolarHBondContact O-N 3.22Å; E549-A552 PolarHBondContact O-N 3.11Å; E549-S553 WeakPolarHBondContact O-CB 3.45Å; E549-S553 PolarHBondContact O-N 3.45Å
550Q81.1Confident82.5Confident50 Ų5094.2 Ų94.223%0.23449%0.491CS..Hα-helixtrans-66.5-32.5172.6-72.6178.846.800113.2E546 L547 K548 S553 K555 L557E546-Q550 VanDerWaalsContact O-CG 3.29Å; E546-Q550 WeakPolarHBondContact O-CG 3.45Å; E546-Q550 PolarHBondContact O-N 3.3Å; L547-Q550 PolarHBondContact O-N 3Å; K548-Q550 VanDerWaalsContact C-N 3.32Å; K548-Q550 PolarHBondContact O-N 3.12Å; Q550-S553 PolarHBondContact O-OG 3.21Å; Q550-S553 VanDerWaalsContact O-OG 3.04Å; Q550-K555 HydrophobicContact CB-CD 4.39Å; Q550-K555 WeakPolarHBondContact O-CB 3.36Å; Q550-K555 PolarHBondContact O-N 2.94Å; Q550-K555 VanDerWaalsContact O-N 3.13Å; Q550-L557 HydrophobicContact CB-CD2 4.5Å
551Q82.3Confident82.1Confident99 Ų9991.3 Ų91.346%0.46348%0.479SS..Hα-helixtrans-68.9-42.3173.1-164.61767.100111.2L547 K548 E549 S553 G554 L557L547-Q551 PolarHBondContact O-N 3.28Å; K548-Q551 WeakPolarHBondContact O-CB 3.45Å; K548-Q551 PolarHBondContact O-N 3.29Å; K548-Q551 VanDerWaalsContact O-N 3.14Å; E549-Q551 VanDerWaalsContact C-N 3.33Å; E549-Q551 PolarHBondContact O-N 3.22Å; Q551-S553 VanDerWaalsContact C-N 3.3Å; Q551-S553 PolarHBondContact O-N 3.17Å; Q551-G554 PolarHBondContact O-N 3.45Å; Q551-G554 VanDerWaalsContact O-N 3.15Å; Q551-L557 HydrophobicContact CB-CD1 3.79Å; Q551-L557 HydrophobicContact CG-CD1 4.09Å
552A79Confident81.8Confident91 Ų9192.5 Ų92.575%0.75249%0.487SS*.Hα-helixtrans-67.1-31176.900000112.3K548 E549 G554K548-A552 WeakPolarHBondContact O-CB 3.37Å; K548-A552 PolarHBondContact O-N 3.18Å; E549-A552 PolarHBondContact O-N 3.11Å; A552-G554 PolarHBondContact O-N 3.27Å
553S81.4Confident81.7Confident90 Ų9087.3 Ų87.363%0.62947%0.471SS*.THydrogen-bonded Turntrans-77.512.317383.10000113.8E549 Q550 Q551 K555E549-S553 WeakPolarHBondContact O-CB 3.45Å; E549-S553 PolarHBondContact O-N 3.45Å; Q550-S553 PolarHBondContact O-OG 3.21Å; Q550-S553 VanDerWaalsContact O-OG 3.04Å; Q551-S553 VanDerWaalsContact C-N 3.3Å; Q551-S553 PolarHBondContact O-N 3.17Å; S553-K555 PolarHBondContact O-N 3.49Å
554G74.2Confident81.7Confident67 Ų6791.2 Ų91.269%0.69148%0.479SS*.THydrogen-bonded Turntrans77.513.9174.100000115.8Q551 A552Q551-G554 PolarHBondContact O-N 3.45Å; Q551-G554 VanDerWaalsContact O-N 3.15Å; A552-G554 PolarHBondContact O-N 3.27Å
555K79.4Confident81.6Confident121 Ų12191.9 Ų91.953%0.52648%0.483SS..  trans-84.6130.3-178.1-161.5179.2175.6-170.80110.8Q550 S553 L557Q550-K555 HydrophobicContact CB-CD 4.39Å; Q550-K555 WeakPolarHBondContact O-CB 3.36Å; Q550-K555 PolarHBondContact O-N 2.94Å; Q550-K555 VanDerWaalsContact O-N 3.13Å; S553-K555 PolarHBondContact O-N 3.49Å; K555-L557 PolarHBondContact O-N 2.94Å
556V73.3Confident81.6Confident142 Ų14292.4 Ų92.486%0.86149%0.485SS*.  trans-70114.6178.2-176.30000110.1
557L81Confident81.7Confident24 Ų2492.2 Ų92.213%0.12648%0.483CS..  trans-86.9144.8178.7-66.9178.7000111.7L547 Q550 Q551 K555 Q561 V562 I565L547-L557 HydrophobicContact CD2-CD2 4.2Å; Q550-L557 HydrophobicContact CB-CD2 4.5Å; Q551-L557 HydrophobicContact CB-CD1 3.79Å; Q551-L557 HydrophobicContact CG-CD1 4.09Å; K555-L557 PolarHBondContact O-N 2.94Å; L557-Q561 HydrophobicContact CB-CB 4.22Å; L557-Q561 HydrophobicContact CD2-CB 4.44Å; L557-V562 HydrophobicContact CB-CG2 3.95Å; L557-I565 HydrophobicContact CD1-CD1 3.63Å
558Q83.4Confident81.7Confident136 Ų13693.2 Ų93.264%0.63649%0.487SS*.  trans-71.9152.8174.3-64.6179.9-2.700110.7N560 Q561 V562Q558-N560 PolarHBondContact O-N 2.93Å; Q558-N560 VanDerWaalsContact O-N 3.11Å; Q558-Q561 WeakPolarHBondContact O-CA 3.41Å; Q558-Q561 WeakPolarHBondContact O-CB 3.29Å; Q558-Q561 PolarHBondContact O-N 3.35Å; Q558-V562 PolarHBondContact O-N 2.88Å
559K76.9Confident81.6Confident162 Ų16294.9 Ų94.970%0.70450%0.496SS*.Hα-helixtrans-50.1-41.7-177.9-168.5175.4177.31800113.6Q561 V562 E563K559-Q561 VanDerWaalsContact C-N 3.28Å; K559-Q561 PolarHBondContact O-N 2.95Å; K559-V562 PolarHBondContact O-N 3.4Å; K559-E563 WeakPolarHBondContact O-CG 3.39Å; K559-E563 PolarHBondContact O-N 3.48Å
560N75.5Confident81.5Confident107 Ų10794.5 Ų94.557%0.57249%0.494SS*.Hα-helixtrans-66.4-23.1177-65.1-15.2000114.4Q558 K564Q558-N560 PolarHBondContact O-N 2.93Å; Q558-N560 VanDerWaalsContact O-N 3.11Å; N560-K564 WeakPolarHBondContact O-CG 3.45Å; N560-K564 PolarHBondContact O-N 3.12Å
561Q80.7Confident81.8Confident58 Ų5893.3 Ų93.327%0.27149%0.489SS..Hα-helixtrans-83-38.3176-67.5172.6-36.300110.8L547 L557 Q558 K559 K564 I565L547-Q561 HydrophobicContact CD1-CB 4.37Å; L547-Q561 HydrophobicContact CD2-CB 4.28Å; L547-Q561 HydrophobicContact CD2-CG 4.17Å; L557-Q561 HydrophobicContact CB-CB 4.22Å; L557-Q561 HydrophobicContact CD2-CB 4.44Å; Q558-Q561 WeakPolarHBondContact O-CA 3.41Å; Q558-Q561 WeakPolarHBondContact O-CB 3.29Å; Q558-Q561 PolarHBondContact O-N 3.35Å; K559-Q561 VanDerWaalsContact C-N 3.28Å; K559-Q561 PolarHBondContact O-N 2.95Å; Q561-K564 WeakPolarHBondContact O-CB 3.37Å; Q561-K564 PolarHBondContact O-N 3.1Å; Q561-I565 WeakPolarHBondContact O-CG1 3.47Å; Q561-I565 PolarHBondContact O-N 3.17Å; Q561-I565 VanDerWaalsContact O-N 3.16Å
562V81.1Confident81.9Confident48 Ų4892.1 Ų92.129%0.29149%0.486SS..Hα-helixtrans-63.8-43173.1-178.80000110.8L557 Q558 K559 K564 I565 Q566L557-V562 HydrophobicContact CB-CG2 3.95Å; Q558-V562 PolarHBondContact O-N 2.88Å; K559-V562 PolarHBondContact O-N 3.4Å; V562-K564 PolarHBondContact O-N 3.32Å; V562-I565 PolarHBondContact O-N 3.43Å; V562-I565 VanDerWaalsContact O-N 3.15Å; V562-Q566 WeakPolarHBondContact O-CG 3.35Å; V562-Q566 PolarHBondContact O-N 3.31Å
563E83.1Confident82.1Confident80 Ų8093.6 Ų93.637%0.37448%0.475SS..Hα-helixtrans-62.7-27.4174.5-73.7174.3-167.500113.2K559 K567K559-E563 WeakPolarHBondContact O-CG 3.39Å; K559-E563 PolarHBondContact O-N 3.48Å; E563-K567 WeakPolarHBondContact O-CG 3.5Å; E563-K567 PolarHBondContact O-N 2.97Å
564K85.3Confident82.2Confident129 Ų12994.2 Ų94.256%0.56147%0.468SS*.Hα-helixtrans-74.1-38.2173.8-78.8177.4-178.4-176.70112.2I544 N560 Q561 V562 Q566 K567I544-K564 VanDerWaalsContact CD1-O 3.29Å; I544-K564 WeakPolarHBondContact CD1-O 3.29Å; N560-K564 WeakPolarHBondContact O-CG 3.45Å; N560-K564 PolarHBondContact O-N 3.12Å; Q561-K564 WeakPolarHBondContact O-CB 3.37Å; Q561-K564 PolarHBondContact O-N 3.1Å; V562-K564 PolarHBondContact O-N 3.32Å; K564-Q566 VanDerWaalsContact C-N 3.32Å; K564-K567 PolarHBondContact O-N 3.24Å
565I85.4Confident82.7Confident22 Ų2291.8 Ų91.811%0.11344%0.439CS..Hα-helixtrans-63.8-40.7174.1-63.8168.1000110I544 L547 K548 L557 Q561 V562 K567 E568I544-I565 HydrophobicContact CG2-CB 4.44Å; I544-I565 HydrophobicContact CG2-CG1 4.22Å; L547-I565 HydrophobicContact CB-CD1 4.02Å; L547-I565 HydrophobicContact CB-CG1 4.1Å; K548-I565 HydrophobicContact CG-CD1 4.4Å; K548-I565 HydrophobicContact CG-CG1 4.43Å; K548-I565 HydrophobicContact CG-CG2 4.01Å; L557-I565 HydrophobicContact CD1-CD1 3.63Å; Q561-I565 WeakPolarHBondContact O-CG1 3.47Å; Q561-I565 PolarHBondContact O-N 3.17Å; Q561-I565 VanDerWaalsContact O-N 3.16Å; V562-I565 PolarHBondContact O-N 3.43Å; V562-I565 VanDerWaalsContact O-N 3.15Å; I565-K567 PolarHBondContact O-N 2.89Å; I565-E568 WeakPolarHBondContact O-CB 3.45Å; I565-E568 PolarHBondContact O-N 3.48Å; I565-E568 VanDerWaalsContact O-N 3.17Å
566Q86.7Confident82.7Confident143 Ų14391.8 Ų91.867%0.66844%0.441SS*.Hα-helixtrans-63.1-22.6177.6-71.3174.9-900114.2V562 K564V562-Q566 WeakPolarHBondContact O-CG 3.35Å; V562-Q566 PolarHBondContact O-N 3.31Å; K564-Q566 VanDerWaalsContact C-N 3.32Å
567K87.7Confident83.1Confident117 Ų11788 Ų8851%0.50943%0.425SS..THydrogen-bonded Turntrans-87.4-1.1179-72.1179.5-178.6-178.10114E563 K564 I565 E569 Q570 L571E563-K567 WeakPolarHBondContact O-CG 3.5Å; E563-K567 PolarHBondContact O-N 2.97Å; K564-K567 PolarHBondContact O-N 3.24Å; I565-K567 PolarHBondContact O-N 2.89Å; K567-E569 PolarHBondContact O-N 3.47Å; K567-Q570 WeakPolarHBondContact O-CB 3.2Å; K567-Q570 PolarHBondContact O-N 2.94Å; K567-L571 WeakPolarHBondContact O-CG 3.39Å; K567-L571 PolarHBondContact O-N 2.96Å; K567-L571 VanDerWaalsContact O-N 3.1Å
568E87.4Confident82.8Confident42 Ų4288.3 Ų88.320%0.19643%0.426CS..Hα-helixtrans-58.8-44.4-177.9-174-176.6-175.800113.2L541 I544 K548 I565 Q570 L571 L572L541-E568 HydrophobicContact CD2-CG 4.06Å; I544-E568 HydrophobicContact CD1-CB 4.25Å; I544-E568 HydrophobicContact CG2-CB 4.09Å; I544-E568 HydrophobicContact CG2-CG 4.05Å; K548-E568 WeakPolarHBondContact CE-OE2 3.46Å; K548-E568 IonicContact NZ-OE1 2.56Å; K548-E568 PolarHBondContact NZ-OE1 3.41Å; K548-E568 IonicContact NZ-OE2 3.9Å; K548-E568 PolarHBondContact NZ-OE2 3.3Å; I565-E568 WeakPolarHBondContact O-CB 3.45Å; I565-E568 PolarHBondContact O-N 3.48Å; I565-E568 VanDerWaalsContact O-N 3.17Å; E568-Q570 PolarHBondContact O-N 2.85Å; E568-L571 PolarHBondContact O-N 3.16Å; E568-L571 VanDerWaalsContact O-N 3.12Å; E568-L572 HydrophobicContact CG-CD1 4.17Å; E568-L572 PolarHBondContact O-N 2.89Å
569E83.7Confident82Confident122 Ų12287.4 Ų87.457%0.5742%0.422SS*.Hα-helixtrans-64.4-33.4-178.9-156.5-166.914500111.6K567 K573K567-E569 PolarHBondContact O-N 3.47Å; E569-K573 WeakPolarHBondContact O-CG 3.46Å; E569-K573 PolarHBondContact O-N 3.03Å; E569-K573 VanDerWaalsContact O-N 3.11Å; E569-K573 WeakPolarHBondContact OE1-CE 3.49Å; E569-K573 IonicContact OE1-NZ 3.6Å; E569-K573 PolarHBondContact OE1-NZ 3.18Å
570Q83.9Confident81.3Confident135 Ų13585.2 Ų85.263%0.63142%0.422SS*.Hα-helixtrans-69-41.8174.3-66.7179.7-12.200111.4K567 E568 K573 E574K567-Q570 WeakPolarHBondContact O-CB 3.2Å; K567-Q570 PolarHBondContact O-N 2.94Å; E568-Q570 PolarHBondContact O-N 2.85Å; Q570-K573 PolarHBondContact O-N 3.14Å; Q570-E574 WeakPolarHBondContact O-CB 3.46Å; Q570-E574 PolarHBondContact O-N 3.15Å
571L86.8Confident79.9Confident25 Ų2587.3 Ų87.313%0.13143%0.426CS..Hα-helixtrans-68.7-34.3177.8-68.4172.5000112.4L537 K540 L541 I544 K567 E568 L575L537-L571 HydrophobicContact CD2-CB 4.11Å; L537-L571 HydrophobicContact CD2-CD2 3.75Å; L537-L571 VanDerWaalsContact CD2-O 3.29Å; L537-L571 WeakPolarHBondContact CD2-O 3.27Å; K540-L571 HydrophobicContact CB-CD1 4.19Å; K540-L571 HydrophobicContact CD-CD2 4.42Å; L541-L571 HydrophobicContact CD2-CB 3.91Å; L541-L571 HydrophobicContact CG-CB 4.46Å; I544-L571 HydrophobicContact CD1-CD1 3.71Å; K567-L571 WeakPolarHBondContact O-CG 3.39Å; K567-L571 PolarHBondContact O-N 2.96Å; K567-L571 VanDerWaalsContact O-N 3.1Å; E568-L571 PolarHBondContact O-N 3.16Å; E568-L571 VanDerWaalsContact O-N 3.12Å; L571-L575 WeakPolarHBondContact O-CB 3.16Å; L571-L575 PolarHBondContact O-N 3.45Å
572L83.5Confident78.2Confident74 Ų7493.5 Ų93.539%0.38747%0.471SS..Hα-helixtrans-67.7-41.6173.6-75.9168.8000111.7L541 E568 L575 Q576L541-L572 HydrophobicContact CD1-CD2 3.72Å; L541-L572 HydrophobicContact CD1-CG 4.35Å; L541-L572 HydrophobicContact CD2-CD2 4.09Å; L541-L572 HydrophobicContact CD2-CG 3.92Å; E568-L572 HydrophobicContact CG-CD1 4.17Å; E568-L572 PolarHBondContact O-N 2.89Å; L572-L575 PolarHBondContact O-N 3.48Å; L572-Q576 WeakPolarHBondContact O-CG 3.23Å; L572-Q576 PolarHBondContact O-N 3.04Å
573K84.3Confident78.1Confident121 Ų12195.8 Ų95.853%0.52648%0.48SS..Hα-helixtrans-63.5-41.2173.6-75.1174.2-173165.70111.9E569 Q570 Q576 A577E569-K573 WeakPolarHBondContact O-CG 3.46Å; E569-K573 PolarHBondContact O-N 3.03Å; E569-K573 VanDerWaalsContact O-N 3.11Å; E569-K573 WeakPolarHBondContact OE1-CE 3.49Å; E569-K573 IonicContact OE1-NZ 3.6Å; E569-K573 PolarHBondContact OE1-NZ 3.18Å; Q570-K573 PolarHBondContact O-N 3.14Å; K573-Q576 PolarHBondContact O-N 3.11Å; K573-A577 WeakPolarHBondContact O-CB 3.28Å; K573-A577 PolarHBondContact O-N 2.79Å
574E83Confident77.8Confident104 Ų10496.6 Ų96.649%0.48649%0.486SS..Hα-helixtrans-65.4-39.4175.6-169.1179.8176.300111.8L537 Q570 A577 L578L537-E574 HydrophobicContact CD1-CG 4.23Å; L537-E574 HydrophobicContact CD2-CB 3.97Å; L537-E574 HydrophobicContact CD2-CG 4.11Å; Q570-E574 WeakPolarHBondContact O-CB 3.46Å; Q570-E574 PolarHBondContact O-N 3.15Å; E574-A577 PolarHBondContact O-N 3.16Å; E574-L578 HydrophobicContact CG-CD1 4.47Å; E574-L578 VanDerWaalsContact O-CG 3.27Å; E574-L578 WeakPolarHBondContact O-CG 3.46Å; E574-L578 PolarHBondContact O-N 3.04Å; E574-L578 VanDerWaalsContact O-N 3.17Å
575L84.3Confident77.4Confident15 Ų1594.8 Ų94.88%0.07948%0.481CS..Hα-helixtrans-65.2-44.1175-171.4113.2000112I534 L537 N538 L541 L571 L572 L578 Q579I534-L575 HydrophobicContact CG2-CD1 4.49Å; L537-L575 HydrophobicContact CB-CD1 3.8Å; L537-L575 HydrophobicContact CD2-CB 4.48Å; N538-L575 VanDerWaalsContact OD1-CD1 3.29Å; N538-L575 WeakPolarHBondContact OD1-CD1 3.45Å; L541-L575 HydrophobicContact CD1-CD1 4.35Å; L571-L575 WeakPolarHBondContact O-CB 3.16Å; L571-L575 PolarHBondContact O-N 3.45Å; L572-L575 PolarHBondContact O-N 3.48Å; L575-L578 PolarHBondContact O-N 3.13Å; L575-Q579 WeakPolarHBondContact O-CG 3.36Å; L575-Q579 PolarHBondContact O-N 2.56Å; L575-Q579 VanDerWaalsContact O-N 3.12Å
576Q80.5Confident76.9Confident122 Ų12299.1 Ų99.157%0.5750%0.503SS*.Hα-helixtrans-63.6-43.7175.9-77.2-179.5-13.800111.7L572 K573 L578 Q579 V580L572-Q576 WeakPolarHBondContact O-CG 3.23Å; L572-Q576 PolarHBondContact O-N 3.04Å; K573-Q576 PolarHBondContact O-N 3.11Å; Q576-L578 PolarHBondContact O-N 2.75Å; Q576-Q579 PolarHBondContact O-N 3.19Å; Q576-V580 VanDerWaalsContact O-CG2 3.28Å; Q576-V580 WeakPolarHBondContact O-CG2 3.41Å; Q576-V580 PolarHBondContact O-N 3.15Å
577A81Confident76.3Confident63 Ų6396.3 Ų96.352%0.52149%0.493SS..Hα-helixtrans-60.4-29.7176.900000113K573 E574K573-A577 WeakPolarHBondContact O-CB 3.28Å; K573-A577 PolarHBondContact O-N 2.79Å; E574-A577 PolarHBondContact O-N 3.16Å
578L74.5Confident75.5Confident30 Ų3094.9 Ų94.916%0.15749%0.492CS..Hα-helixtrans-82.2-19.7175.5-68.4168.3000113.5M530 K533 I534 L537 E574 L575 Q576M530-L578 HydrophobicContact CE-CB 3.99Å; M530-L578 HydrophobicContact CE-CD2 3.42Å; M530-L578 VanDerWaalsContact CE-CD2 3.42Å; M530-L578 HydrophobicContact CE-CG 4.3Å; M530-L578 WeakPolarHBondContact CE-O 3.45Å; M530-L578 HydrophobicContact CG-CD2 4.46Å; M530-L578 HydrophobicContact SD-CD2 3.69Å; K533-L578 HydrophobicContact CB-CD1 4.32Å; I534-L578 HydrophobicContact CD1-CB 4.45Å; I534-L578 HydrophobicContact CG1-CB 4.12Å; L537-L578 HydrophobicContact CD1-CD1 3.6Å; E574-L578 HydrophobicContact CG-CD1 4.47Å; E574-L578 VanDerWaalsContact O-CG 3.27Å; E574-L578 WeakPolarHBondContact O-CG 3.46Å; E574-L578 PolarHBondContact O-N 3.04Å; E574-L578 VanDerWaalsContact O-N 3.17Å; L575-L578 PolarHBondContact O-N 3.13Å; Q576-L578 PolarHBondContact O-N 2.75Å
579Q67.5Low74.7Confident116 Ų11698.7 Ų98.754%0.54251%0.513SS..Hα-helixtrans-91.5-18.7177.1-73.2179-6.900113.5L575 Q576L575-Q579 WeakPolarHBondContact O-CG 3.36Å; L575-Q579 PolarHBondContact O-N 2.56Å; L575-Q579 VanDerWaalsContact O-N 3.12Å; Q576-Q579 PolarHBondContact O-N 3.19Å
580V61.5Low74Confident116 Ų11696.9 Ų96.970%0.70351%0.508SS*.SBendtrans-94.9-2.9-175.9176.50000113.9Q576 P582Q576-V580 VanDerWaalsContact O-CG2 3.28Å; Q576-V580 WeakPolarHBondContact O-CG2 3.41Å; Q576-V580 PolarHBondContact O-N 3.15Å; V580-P582 VanDerWaalsContact O-CD 3.23Å; V580-P582 WeakPolarHBondContact O-CD 2.87Å
581K46.8Very low73.2Confident152 Ų15293.8 Ų93.866%0.66150%0.498SS*.  trans-86.9112.4172.2-88-176.4173.4-177.80110.6M530M530-K581 HydrophobicContact CE-CB 4.41Å
582P44.4Very low71.9Confident187 Ų187100 Ų100100%1.21453%0.531SS*.  trans-67.60171.128.9-33000112.2V580V580-P582 VanDerWaalsContact O-CD 3.23Å; V580-P582 WeakPolarHBondContact O-CD 2.87Å

Retrieved 582 of 582 residues in 564.7 ms (Link to these results)

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