B5X9L0_SALSA Loading...

N-alpha-acetyltransferase 50

AlphaFold DB , UniProt , Accession B5X9L0, Species SALSA (Salmo salar, Atlantic salmon), Gene NAT13, Length 169 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
1M40.4Very low83.3Confident244 Ų24493.4 Ų93.4100%1.20249%0.492SS*.  0116.10-67.6160.389.200107.4G3M1-G3 PolarHBondContact O-N 2.98Å
2K50.4Low84.5Confident218 Ų21889.4 Ų89.495%0.94848%0.475SS*.PPolyproline II helixtrans-67.4116.9174.3-78.7-179.3176.1178.90107.1
3G67.9Low85.6Confident63 Ų6390.7 Ų90.765%0.64949%0.491SS*.PPolyproline II helixtrans-58.6143.6178.900000110.8M1 R5M1-G3 PolarHBondContact O-N 2.98Å; G3-R5 PolarHBondContact O-N 2.95Å
4S75.8Confident86.5Confident70 Ų7097.4 Ų97.449%0.4952%0.517SS..PPolyproline II helixtrans-56.4136.5176.5-55.20000110.8F51 N52S4-F51 VanDerWaalsContact CB-CE2 3.5Å; S4-F51 WeakPolarHBondContact OG-CZ 3.45Å; S4-N52 WeakPolarHBondContact CA-OD1 3.43Å
5R91.6Very high87.3Confident138 Ų13892.4 Ų92.452%0.52149%0.491SS..PPolyproline II helixtrans-89.1127.2-177.5-67.8-172.3-64-1685.6110.4G3 F51 N52 D53G3-R5 PolarHBondContact O-N 2.95Å; R5-F51 WeakPolarHBondContact O-CA 3.46Å; R5-N52 PolarHBondContact N-OD1 3.24Å; R5-N52 PolarHBondContact O-N 3.32Å; R5-D53 IonicContact NH2-OD2 3.1Å; R5-D53 PolarHBondContact NH2-OD2 2.9Å; R5-D53 VanDerWaalsContact NH2-OD2 3.1Å
6I97.6Very high88Confident39 Ų3988.3 Ų88.320%0.247%0.468CS..EExtended strand (participates in β ladder)trans-114.5120.5173.5-50.4175.7000108.4Y50 F51 L86 I88 K91I6-Y50 WeakPolarHBondContact CA-O 3.03Å; I6-F51 HydrophobicContact CG1-CD2 4.03Å; I6-F51 HydrophobicContact CG1-CE2 4.48Å; I6-L86 WeakPolarHBondContact CD1-O 3.24Å; I6-I88 HydrophobicContact CD1-CG1 4.09Å; I6-I88 HydrophobicContact CG2-CG1 4.06Å; I6-K91 HydrophobicContact CB-CD 4.13Å; I6-K91 HydrophobicContact CG2-CB 4.5Å; I6-K91 HydrophobicContact CG2-CD 3.55Å; I6-K91 WeakPolarHBondContact O-CE 3.14Å; I6-K91 PolarHBondContact O-NZ 3.24Å
7E98.1Very high88.6Confident86 Ų8692.9 Ų92.940%0.40248%0.483SS..EExtended strand (participates in β ladder)trans-132.1155.7-173.1-66179.6-166.600110.8A49 Y50E7-A49 WeakPolarHBondContact O-CA 3.35Å; E7-Y50 PolarHBondContact N-O 3.47Å; E7-Y50 PolarHBondContact O-N 3.19Å
8L98.6Very high89.1Confident44 Ų4492.1 Ų92.123%0.2348%0.477CS..EExtended strand (participates in β ladder)trans-113.2137.4172.3-61.2-177.8000108K47 L48 A49 K91 M92 H95L8-K47 HydrophobicContact CB-CB 4.31Å; L8-K47 HydrophobicContact CB-CG 4.44Å; L8-L48 CarbonylContact C-O 3.58Å; L8-L48 VanDerWaalsContact CA-O 3.32Å; L8-L48 WeakPolarHBondContact CA-O 3.31Å; L8-A49 HydrophobicContact CD2-CB 3.84Å; L8-K91 HydrophobicContact CD1-CG 4.41Å; L8-K91 HydrophobicContact CD2-CD 4.37Å; L8-K91 HydrophobicContact CG-CD 4.14Å; L8-K91 HydrophobicContact CG-CG 4.31Å; L8-M92 HydrophobicContact CD2-CG 3.76Å; L8-H95 HydrophobicContact CD1-CB 3.47Å; L8-H95 VanDerWaalsContact CD1-CB 3.47Å
9G98.4Very high89.6Confident18 Ų1887.2 Ų87.219%0.18645%0.452CS..EExtended strand (participates in β ladder)trans-133160.9176.800000111.6K47 L48G9-K47 WeakPolarHBondContact O-CA 3.34Å; G9-K47 WeakPolarHBondContact O-CD 3.34Å; G9-L48 PolarHBondContact N-O 3.42Å; G9-L48 PolarHBondContact O-N 3.07Å
10D98.6Very high90.1Very high88 Ų8886.2 Ų86.247%0.47144%0.444SS..EExtended strand (participates in β ladder)trans-66.8147.3-176-61.8-28.9000112.3T12 N15 K47D10-T12 HydrophobicContact CB-CG2 3.97Å; D10-N15 PolarHBondContact O-ND2 3.34Å; D10-K47 IonicContact OD1-NZ 2.61Å; D10-K47 PolarHBondContact OD1-NZ 3.3Å
11V98.6Very high90.5Very high19 Ų1990.9 Ų90.912%0.11546%0.456CS..  trans-82.5124.9160.3-175.10000107.5N15 I16 L19 V39 L40 A46 L48V11-N15 WeakPolarHBondContact CA-OD1 3.41Å; V11-I16 HydrophobicContact CG1-CD1 3.53Å; V11-L19 HydrophobicContact CG1-CD2 3.9Å; V11-L19 HydrophobicContact CG2-CD2 4.18Å; V11-V39 HydrophobicContact CB-CG1 4.35Å; V11-V39 HydrophobicContact CG1-CG1 3.96Å; V11-V39 HydrophobicContact CG2-CG1 4.46Å; V11-L40 HydrophobicContact CG1-CD2 4.2Å; V11-A46 HydrophobicContact CB-CB 4.39Å; V11-A46 HydrophobicContact CG2-CB 3.96Å; V11-L48 HydrophobicContact CG2-CG 4.28Å
12T98.6Very high93.2Very high46 Ų4679.8 Ų79.828%0.28240%0.401SS..  trans-131.5163.8-176.5660000110.1D10 H14 N15 I16 L40D10-T12 HydrophobicContact CB-CG2 3.97Å; T12-H14 PolarHBondContact O-N 3.1Å; T12-H14 PolarHBondContact OG1-N 2.97Å; T12-N15 PolarHBondContact N-OD1 3.1Å; T12-N15 PolarHBondContact O-N 2.96Å; T12-N15 VanDerWaalsContact O-N 3.11Å; T12-N15 PolarHBondContact O-OD1 3.4Å; T12-N15 PolarHBondContact OG1-N 3.01Å; T12-N15 PolarHBondContact OG1-ND2 3.4Å; T12-N15 PolarHBondContact OG1-OD1 3.29Å; T12-I16 PolarHBondContact O-N 2.89Å; T12-L40 VanDerWaalsContact C-CD2 3.4Å
13P98.3Very high95.5Very high106 Ų10669.5 Ų69.569%0.68836%0.356SS*.THydrogen-bonded Turntrans-54.7-28.2172.9-2736.1000113.2I16 L40P13-I16 WeakPolarHBondContact O-CG2 3.23Å; P13-L40 HydrophobicContact CG-CD2 4.31Å
14H98.3Very high96.9Very high184 Ų18471.8 Ų71.885%0.85235%0.35SS*.THydrogen-bonded Turntrans-72.3-38.6179.6-166.578.2000113T12T12-H14 PolarHBondContact O-N 3.1Å; T12-H14 PolarHBondContact OG1-N 2.97Å
15N98.3Very high98Very high23 Ų2373.7 Ų73.712%0.12336%0.359CS..THydrogen-bonded Turntrans-1071.4-175.169.325.3000114.4D10 V11 T12 K17 Q18 L19 L48D10-N15 PolarHBondContact O-ND2 3.34Å; V11-N15 WeakPolarHBondContact CA-OD1 3.41Å; T12-N15 PolarHBondContact N-OD1 3.1Å; T12-N15 PolarHBondContact O-N 2.96Å; T12-N15 VanDerWaalsContact O-N 3.11Å; T12-N15 PolarHBondContact O-OD1 3.4Å; T12-N15 PolarHBondContact OG1-N 3.01Å; T12-N15 PolarHBondContact OG1-ND2 3.4Å; T12-N15 PolarHBondContact OG1-OD1 3.29Å; N15-K17 PolarHBondContact O-N 2.77Å; N15-K17 VanDerWaalsContact O-N 3.09Å; N15-Q18 WeakPolarHBondContact O-CA 3.37Å; N15-Q18 WeakPolarHBondContact O-CB 3.35Å; N15-Q18 PolarHBondContact O-N 3.45Å; N15-L19 PolarHBondContact O-N 2.88Å; N15-L48 HydrophobicContact CB-CD1 4.1Å
16I98.4Very high98.3Very high26 Ų2668.3 Ų68.313%0.13334%0.34CS..Hα-helixtrans-56.1-32-178.9-16664.6000113.6V11 T12 P13 Q18 L19 K20 Y36 V39 L40V11-I16 HydrophobicContact CG1-CD1 3.53Å; T12-I16 PolarHBondContact O-N 2.89Å; P13-I16 WeakPolarHBondContact O-CG2 3.23Å; I16-Q18 VanDerWaalsContact C-N 3.29Å; I16-Q18 PolarHBondContact O-N 3.15Å; I16-L19 HydrophobicContact CD1-CD2 3.94Å; I16-L19 WeakPolarHBondContact O-CB 3.36Å; I16-L19 PolarHBondContact O-N 3.39Å; I16-K20 PolarHBondContact O-N 3.37Å; I16-Y36 HydrophobicContact CD1-CD1 4.18Å; I16-Y36 HydrophobicContact CG1-CD1 4.48Å; I16-V39 HydrophobicContact CD1-CG1 4.45Å; I16-L40 HydrophobicContact CB-CD2 4.41Å; I16-L40 HydrophobicContact CD1-CD2 4.05Å; I16-L40 HydrophobicContact CD1-CG 4.08Å; I16-L40 HydrophobicContact CG1-CD1 4.41Å; I16-L40 HydrophobicContact CG1-CD2 4.44Å; I16-L40 HydrophobicContact CG1-CG 4.44Å
17K98.1Very high98.3Very high167 Ų16768.4 Ų68.473%0.72634%0.339SS*.Hα-helixtrans-67.5-30.2175.4-69.8-177.5-179.1175.20112.3N15 K20 R21N15-K17 PolarHBondContact O-N 2.77Å; N15-K17 VanDerWaalsContact O-N 3.09Å; K17-K20 PolarHBondContact O-N 3.39Å; K17-R21 WeakPolarHBondContact O-CG 3.48Å; K17-R21 PolarHBondContact O-N 3.03Å
18Q98.3Very high98.2Very high78 Ų7868.4 Ų68.436%0.36435%0.347SS..Hα-helixtrans-69.2-43.4173.9-169.1174.727.200110.6N15 I16 K20 R21 L22 A55N15-Q18 WeakPolarHBondContact O-CA 3.37Å; N15-Q18 WeakPolarHBondContact O-CB 3.35Å; N15-Q18 PolarHBondContact O-N 3.45Å; I16-Q18 VanDerWaalsContact C-N 3.29Å; I16-Q18 PolarHBondContact O-N 3.15Å; Q18-K20 VanDerWaalsContact C-N 3.33Å; Q18-K20 PolarHBondContact O-N 3.46Å; Q18-R21 PolarHBondContact O-N 2.8Å; Q18-L22 WeakPolarHBondContact O-CG 3.5Å; Q18-L22 PolarHBondContact O-N 3.48Å; Q18-A55 VanDerWaalsContact CD-CB 3.49Å; Q18-A55 HydrophobicContact CG-CB 4.22Å
19L98.6Very high97.9Very high0 Ų068.3 Ų68.30%035%0.348CS..Hα-helixtrans-56.6-47.2171.5176.963.8000111.3V11 N15 I16 R21 L22 N23 Y36 V39 L48 A58V11-L19 HydrophobicContact CG1-CD2 3.9Å; V11-L19 HydrophobicContact CG2-CD2 4.18Å; N15-L19 PolarHBondContact O-N 2.88Å; I16-L19 HydrophobicContact CD1-CD2 3.94Å; I16-L19 WeakPolarHBondContact O-CB 3.36Å; I16-L19 PolarHBondContact O-N 3.39Å; L19-R21 VanDerWaalsContact C-N 3.32Å; L19-R21 PolarHBondContact O-N 3.41Å; L19-L22 PolarHBondContact O-N 3.08Å; L19-N23 PolarHBondContact O-N 3.03Å; L19-Y36 HydrophobicContact CD2-CD1 4.24Å; L19-Y36 HydrophobicContact CD2-CE1 4.41Å; L19-Y36 HydrophobicContact CG-CD1 4.47Å; L19-Y36 HydrophobicContact CG-CE1 4.22Å; L19-V39 HydrophobicContact CD2-CG1 3.75Å; L19-L48 HydrophobicContact CB-CD2 4.14Å; L19-L48 HydrophobicContact CD1-CD2 4.11Å; L19-A58 HydrophobicContact CD1-CB 3.24Å
20K98.5Very high97.7Very high67 Ų6771.8 Ų71.829%0.29137%0.369SS..Hα-helixtrans-58-43177.8-173.9164-175.7172.70112I16 K17 Q18 Q24 D33 Y36I16-K20 PolarHBondContact O-N 3.37Å; K17-K20 PolarHBondContact O-N 3.39Å; Q18-K20 VanDerWaalsContact C-N 3.33Å; Q18-K20 PolarHBondContact O-N 3.46Å; K20-Q24 WeakPolarHBondContact O-CB 3.45Å; K20-Q24 VanDerWaalsContact O-CG 3.25Å; K20-Q24 WeakPolarHBondContact O-CG 3.32Å; K20-Q24 PolarHBondContact O-N 2.94Å; K20-D33 IonicContact NZ-OD1 2.72Å; K20-D33 PolarHBondContact NZ-OD1 3.2Å; K20-Y36 HydrophobicContact CB-CD1 4.33Å; K20-Y36 HydrophobicContact CB-CE1 3.8Å; K20-Y36 HydrophobicContact CB-CE2 4.31Å; K20-Y36 HydrophobicContact CD-CD2 4.17Å; K20-Y36 HydrophobicContact CD-CE2 3.88Å; K20-Y36 HydrophobicContact CG-CE1 4.21Å; K20-Y36 HydrophobicContact CG-CE2 3.83Å
21R98.4Very high97.5Very high184 Ų18470.4 Ų70.469%0.69436%0.358SS*.Hα-helixtrans-64.9-45.2175.7-74.3179.3179.8-130.61.5112.3K17 Q18 L19 N23 Q24 V25K17-R21 WeakPolarHBondContact O-CG 3.48Å; K17-R21 PolarHBondContact O-N 3.03Å; Q18-R21 PolarHBondContact O-N 2.8Å; L19-R21 VanDerWaalsContact C-N 3.32Å; L19-R21 PolarHBondContact O-N 3.41Å; R21-N23 PolarHBondContact O-N 3.11Å; R21-Q24 PolarHBondContact O-N 2.91Å; R21-V25 WeakPolarHBondContact O-CG2 3.37Å; R21-V25 PolarHBondContact O-N 3.35Å
22L98.7Very high97.4Very high12 Ų1274.6 Ų74.66%0.06338%0.379CS..Hα-helixtrans-59-48.8176.7-74.6170.3000110.8Q18 L19 Q24 V25 I26 L48 A55 L80Q18-L22 WeakPolarHBondContact O-CG 3.5Å; Q18-L22 PolarHBondContact O-N 3.48Å; L19-L22 PolarHBondContact O-N 3.08Å; L22-Q24 VanDerWaalsContact C-N 3.33Å; L22-Q24 PolarHBondContact O-N 3.02Å; L22-V25 PolarHBondContact O-N 3.15Å; L22-V25 VanDerWaalsContact O-N 3.14Å; L22-I26 HydrophobicContact CB-CD1 4.09Å; L22-I26 HydrophobicContact CD2-CD1 4.38Å; L22-I26 WeakPolarHBondContact O-CB 3.42Å; L22-I26 WeakPolarHBondContact O-CD1 3.47Å; L22-I26 WeakPolarHBondContact O-CG1 2.97Å; L22-I26 PolarHBondContact O-N 2.99Å; L22-L48 HydrophobicContact CD1-CD2 3.78Å; L22-A55 HydrophobicContact CD1-CB 4.26Å; L22-L80 HydrophobicContact CD2-CD1 3.96Å; L22-L80 HydrophobicContact CD2-CD2 4.05Å; L22-L80 HydrophobicContact CD2-CG 3.86Å
23N98.5Very high97.3Very high1 Ų177.1 Ų77.11%0.00539%0.391CS..Hα-helixtrans-61.3-40.8-180-75.8-1.1000112.4L19 R21 V25 I26 F27L19-N23 PolarHBondContact O-N 3.03Å; R21-N23 PolarHBondContact O-N 3.11Å; N23-V25 VanDerWaalsContact C-N 3.26Å; N23-V25 PolarHBondContact O-N 2.88Å; N23-I26 PolarHBondContact O-N 3.11Å; N23-F27 HydrophobicContact CB-CD2 4.06Å; N23-F27 HydrophobicContact CB-CE2 4.45Å; N23-F27 WeakPolarHBondContact O-CD2 3.44Å; N23-F27 PolarHBondContact O-N 2.83Å; N23-F27 WeakPolarHBondContact OD1-CE2 3.45Å
24Q97.8Very high97.2Very high111 Ų11178.1 Ų78.152%0.51939%0.385SS..Hα-helixtrans-62.2-31.3176.8-77.9174.7-20.400113.6K20 R21 L22K20-Q24 WeakPolarHBondContact O-CB 3.45Å; K20-Q24 VanDerWaalsContact O-CG 3.25Å; K20-Q24 WeakPolarHBondContact O-CG 3.32Å; K20-Q24 PolarHBondContact O-N 2.94Å; R21-Q24 PolarHBondContact O-N 2.91Å; L22-Q24 VanDerWaalsContact C-N 3.33Å; L22-Q24 PolarHBondContact O-N 3.02Å
25V98.2Very high97.2Very high111 Ų11170.1 Ų70.167%0.67335%0.347SS*.Hα-helixtrans-86.5-36.5179.2175.20000111.6R21 L22 N23 L80R21-V25 WeakPolarHBondContact O-CG2 3.37Å; R21-V25 PolarHBondContact O-N 3.35Å; L22-V25 PolarHBondContact O-N 3.15Å; L22-V25 VanDerWaalsContact O-N 3.14Å; N23-V25 VanDerWaalsContact C-N 3.26Å; N23-V25 PolarHBondContact O-N 2.88Å; V25-L80 HydrophobicContact CB-CD2 4.2Å; V25-L80 HydrophobicContact CG1-CD2 3.67Å
26I98.4Very high97.2Very high25 Ų2569.7 Ų69.713%0.12834%0.344CS..Hα-helixtrans-82.7-38.9-172-66.6165.4000111.9L22 N23 L80L22-I26 HydrophobicContact CB-CD1 4.09Å; L22-I26 HydrophobicContact CD2-CD1 4.38Å; L22-I26 WeakPolarHBondContact O-CB 3.42Å; L22-I26 WeakPolarHBondContact O-CD1 3.47Å; L22-I26 WeakPolarHBondContact O-CG1 2.97Å; L22-I26 PolarHBondContact O-N 2.99Å; N23-I26 PolarHBondContact O-N 3.11Å; I26-L80 HydrophobicContact CD1-CD2 4.46Å; I26-L80 HydrophobicContact CG1-CD2 4.09Å
27F97.4Very high97.1Very high41 Ų4175.3 Ų75.318%0.1837%0.368CS..  trans-108.7142.5-171.6-57.4-71.1000111.8N23 V29 Y31 T76N23-F27 HydrophobicContact CB-CD2 4.06Å; N23-F27 HydrophobicContact CB-CE2 4.45Å; N23-F27 WeakPolarHBondContact O-CD2 3.44Å; N23-F27 PolarHBondContact O-N 2.83Å; N23-F27 WeakPolarHBondContact OD1-CE2 3.45Å; F27-V29 HydrophobicContact CB-CG2 4.46Å; F27-V29 PolarHBondContact O-N 2.9Å; F27-V29 VanDerWaalsContact O-N 3.15Å; F27-Y31 HydrophobicContact CB-CE2 4.42Å; F27-Y31 HydrophobicContact CD2-CE2 4.33Å; F27-Y31 HydrophobicContact CG-CE2 4.48Å; F27-T76 HydrophobicContact CD2-CG2 3.91Å; F27-T76 HydrophobicContact CE1-CG2 4.49Å; F27-T76 HydrophobicContact CE2-CG2 3.6Å; F27-T76 HydrophobicContact CZ-CG2 3.93Å
28P94.4Very high97.1Very high86 Ų8670.7 Ų70.756%0.55835%0.351SS*.SBendtrans-775.2178.634-37.6000113.3I142P28-I142 HydrophobicContact CB-CD1 3.9Å; P28-I142 HydrophobicContact CB-CG2 4.34Å; P28-I142 HydrophobicContact CG-CD1 3.61Å
29V93.5Very high97Very high41 Ų4167.1 Ų67.125%0.24833%0.334CS..SBendtrans-126141.6-179.1-63.10000111.2F27 Y31 Y139 I142F27-V29 HydrophobicContact CB-CG2 4.46Å; F27-V29 PolarHBondContact O-N 2.9Å; F27-V29 VanDerWaalsContact O-N 3.15Å; V29-Y31 HydrophobicContact CG2-CE2 3.94Å; V29-Y139 HydrophobicContact CG1-CD1 3.89Å; V29-Y139 HydrophobicContact CG1-CE1 4.27Å; V29-I142 HydrophobicContact CG1-CD1 4.09Å
30S93.6Very high97Very high91 Ų9169.8 Ų69.864%0.63635%0.348SS*.PPolyproline II helixtrans-90.8127.1176.3-57.90000111.2
31Y95.6Very high96.9Very high60 Ų6074.4 Ų74.424%0.23537%0.371CS..PPolyproline II helixtrans-87.9142.1171.5-62.3-91.3000110.7F27 V29 F35 M75 T76F27-Y31 HydrophobicContact CB-CE2 4.42Å; F27-Y31 HydrophobicContact CD2-CE2 4.33Å; F27-Y31 HydrophobicContact CG-CE2 4.48Å; V29-Y31 HydrophobicContact CG2-CE2 3.94Å; Y31-F35 HydrophobicContact CD1-CB 4.46Å; Y31-F35 HydrophobicContact CD1-CD1 4.26Å; Y31-F35 AromaticContact CD1-CD2 3.62Å; Y31-F35 HydrophobicContact CD1-CD2 3.62Å; Y31-F35 HydrophobicContact CD1-CE1 4.45Å; Y31-F35 AromaticContact CD1-CE2 3.81Å; Y31-F35 HydrophobicContact CD1-CE2 3.81Å; Y31-F35 AromaticContact CD1-CG 3.86Å; Y31-F35 HydrophobicContact CD1-CG 3.86Å; Y31-F35 HydrophobicContact CD1-CZ 4.23Å; Y31-F35 HydrophobicContact CE1-CD2 4.26Å; Y31-F35 HydrophobicContact CE1-CE2 4.08Å; Y31-F35 HydrophobicContact CG-CD1 4.07Å; Y31-F35 HydrophobicContact CG-CD2 4.25Å; Y31-F35 HydrophobicContact CG-CE1 4.25Å; Y31-F35 HydrophobicContact CG-CE2 4.41Å; Y31-F35 HydrophobicContact CG-CG 4.08Å; Y31-F35 HydrophobicContact CG-CZ 4.41Å; Y31-M75 PolarHBondContact OH-O 3.31Å; Y31-T76 HydrophobicContact CD2-CG2 4.34Å; Y31-T76 HydrophobicContact CE1-CG2 4.02Å; Y31-T76 HydrophobicContact CE2-CG2 3.48Å; Y31-T76 VanDerWaalsContact CE2-CG2 3.48Å; Y31-T76 WeakPolarHBondContact OH-CG2 3.47Å
32N95.8Very high96.8Very high106 Ų10667.6 Ų67.657%0.56735%0.35SS*.PPolyproline II helixtrans-79.1173.2-179.866.317.3000112.1K34 F35 Y36N32-K34 VanDerWaalsContact C-N 3.25Å; N32-K34 PolarHBondContact O-N 2.97Å; N32-K34 PolarHBondContact OD1-N 3.21Å; N32-F35 WeakPolarHBondContact O-CB 3.31Å; N32-F35 PolarHBondContact O-N 3.05Å; N32-F35 PolarHBondContact OD1-N 3.45Å; N32-Y36 VanDerWaalsContact O-CD2 3.26Å; N32-Y36 WeakPolarHBondContact O-CD2 3.22Å
33D95.8Very high96.7Very high99 Ų9969.4 Ų69.453%0.52937%0.371SS..Hα-helixtrans-68.2-24.9-178.5-66.4-29.9000113.2K20 F35 Y36 K37K20-D33 IonicContact NZ-OD1 2.72Å; K20-D33 PolarHBondContact NZ-OD1 3.2Å; D33-F35 VanDerWaalsContact C-N 3.35Å; D33-Y36 PolarHBondContact O-N 2.61Å; D33-K37 WeakPolarHBondContact O-CG 3.37Å; D33-K37 PolarHBondContact O-N 3.4Å
34K97.1Very high96.7Very high127 Ų12774 Ų7455%0.55239%0.392SS*.Hα-helixtrans-61.4-43.4173.5175.3165.8173.347.50111.4N32 Y36 K37 D38N32-K34 VanDerWaalsContact C-N 3.25Å; N32-K34 PolarHBondContact O-N 2.97Å; N32-K34 PolarHBondContact OD1-N 3.21Å; K34-Y36 VanDerWaalsContact C-N 3.3Å; K34-Y36 PolarHBondContact O-N 2.91Å; K34-K37 PolarHBondContact O-N 2.91Å; K34-D38 WeakPolarHBondContact CE-OD2 3.46Å; K34-D38 WeakPolarHBondContact CG-OD2 3.32Å; K34-D38 VanDerWaalsContact NZ-CG 3.29Å; K34-D38 IonicContact NZ-OD1 2.84Å; K34-D38 PolarHBondContact NZ-OD1 3.46Å; K34-D38 IonicContact NZ-OD2 2.78Å; K34-D38 PolarHBondContact NZ-OD2 3.28Å; K34-D38 PolarHBondContact O-N 3.31Å
35F97.9Very high96.7Very high16 Ų1669.7 Ų69.77%0.0737%0.373CS..Hα-helixtrans-52.8-48175169.4-90000111.9Y31 N32 D33 D38 V39 C60 M75 T76Y31-F35 HydrophobicContact CD1-CB 4.46Å; Y31-F35 HydrophobicContact CD1-CD1 4.26Å; Y31-F35 AromaticContact CD1-CD2 3.62Å; Y31-F35 HydrophobicContact CD1-CD2 3.62Å; Y31-F35 HydrophobicContact CD1-CE1 4.45Å; Y31-F35 AromaticContact CD1-CE2 3.81Å; Y31-F35 HydrophobicContact CD1-CE2 3.81Å; Y31-F35 AromaticContact CD1-CG 3.86Å; Y31-F35 HydrophobicContact CD1-CG 3.86Å; Y31-F35 HydrophobicContact CD1-CZ 4.23Å; Y31-F35 HydrophobicContact CE1-CD2 4.26Å; Y31-F35 HydrophobicContact CE1-CE2 4.08Å; Y31-F35 HydrophobicContact CG-CD1 4.07Å; Y31-F35 HydrophobicContact CG-CD2 4.25Å; Y31-F35 HydrophobicContact CG-CE1 4.25Å; Y31-F35 HydrophobicContact CG-CE2 4.41Å; Y31-F35 HydrophobicContact CG-CG 4.08Å; Y31-F35 HydrophobicContact CG-CZ 4.41Å; N32-F35 WeakPolarHBondContact O-CB 3.31Å; N32-F35 PolarHBondContact O-N 3.05Å; N32-F35 PolarHBondContact OD1-N 3.45Å; D33-F35 VanDerWaalsContact C-N 3.35Å; F35-D38 PolarHBondContact O-N 2.85Å; F35-V39 HydrophobicContact CD1-CG2 4.32Å; F35-V39 HydrophobicContact CE1-CG2 3.94Å; F35-V39 HydrophobicContact CE2-CG2 4.22Å; F35-V39 HydrophobicContact CZ-CG2 3.89Å; F35-V39 WeakPolarHBondContact O-CB 3.48Å; F35-V39 VanDerWaalsContact O-CG2 3.27Å; F35-V39 WeakPolarHBondContact O-CG2 3.46Å; F35-V39 PolarHBondContact O-N 2.74Å; F35-C60 HydrophobicContact CZ-CB 3.95Å; F35-M75 HydrophobicContact CD2-CE 4.28Å; F35-M75 HydrophobicContact CD2-SD 3.97Å; F35-M75 HydrophobicContact CE2-CB 3.86Å; F35-M75 HydrophobicContact CE2-CE 3.74Å; F35-M75 HydrophobicContact CE2-CG 4.43Å; F35-M75 HydrophobicContact CE2-SD 3.73Å; F35-T76 HydrophobicContact CZ-CG2 4.22Å
36Y98.1Very high96.7Very high14 Ų1464.4 Ų64.46%0.05534%0.341CS..Hα-helixtrans-72.2-30.2-177.9-63.6-73.1000113.3I16 L19 K20 N32 D33 K34I16-Y36 HydrophobicContact CD1-CD1 4.18Å; I16-Y36 HydrophobicContact CG1-CD1 4.48Å; L19-Y36 HydrophobicContact CD2-CD1 4.24Å; L19-Y36 HydrophobicContact CD2-CE1 4.41Å; L19-Y36 HydrophobicContact CG-CD1 4.47Å; L19-Y36 HydrophobicContact CG-CE1 4.22Å; K20-Y36 HydrophobicContact CB-CD1 4.33Å; K20-Y36 HydrophobicContact CB-CE1 3.8Å; K20-Y36 HydrophobicContact CB-CE2 4.31Å; K20-Y36 HydrophobicContact CD-CD2 4.17Å; K20-Y36 HydrophobicContact CD-CE2 3.88Å; K20-Y36 HydrophobicContact CG-CE1 4.21Å; K20-Y36 HydrophobicContact CG-CE2 3.83Å; N32-Y36 VanDerWaalsContact O-CD2 3.26Å; N32-Y36 WeakPolarHBondContact O-CD2 3.22Å; D33-Y36 PolarHBondContact O-N 2.61Å; K34-Y36 VanDerWaalsContact C-N 3.3Å; K34-Y36 PolarHBondContact O-N 2.91Å
37K97.2Very high96.8Very high145 Ų14563.9 Ų63.963%0.6334%0.338SS*.Hα-helixtrans-64.9-49.8170.4-72.1178.4179.8-1760110.6D33 K34 V39 L40D33-K37 WeakPolarHBondContact O-CG 3.37Å; D33-K37 PolarHBondContact O-N 3.4Å; K34-K37 PolarHBondContact O-N 2.91Å; K37-V39 VanDerWaalsContact C-N 3.28Å; K37-V39 PolarHBondContact O-N 3.47Å; K37-L40 PolarHBondContact O-N 3.16Å; K37-L40 VanDerWaalsContact O-N 3.13Å
38D96.8Very high96.8Very high70 Ų7061.9 Ų61.937%0.37433%0.329SS..Hα-helixtrans-62.1-37.7-179-62.5-13.2000110.8K34 F35 L40 E41 V42K34-D38 WeakPolarHBondContact CE-OD2 3.46Å; K34-D38 WeakPolarHBondContact CG-OD2 3.32Å; K34-D38 VanDerWaalsContact NZ-CG 3.29Å; K34-D38 IonicContact NZ-OD1 2.84Å; K34-D38 PolarHBondContact NZ-OD1 3.46Å; K34-D38 IonicContact NZ-OD2 2.78Å; K34-D38 PolarHBondContact NZ-OD2 3.28Å; K34-D38 PolarHBondContact O-N 3.31Å; F35-D38 PolarHBondContact O-N 2.85Å; D38-L40 VanDerWaalsContact C-N 3.26Å; D38-L40 PolarHBondContact O-N 3.41Å; D38-E41 PolarHBondContact O-N 3.16Å; D38-V42 WeakPolarHBondContact O-CG1 3.36Å
39V97.2Very high97Very high2 Ų257.8 Ų57.81%0.01230%0.303CS..Hα-helixtrans-61-28.7176.8163.70000113.7V11 I16 L19 F35 K37 E41 V42 A46 C60 M75V11-V39 HydrophobicContact CB-CG1 4.35Å; V11-V39 HydrophobicContact CG1-CG1 3.96Å; V11-V39 HydrophobicContact CG2-CG1 4.46Å; I16-V39 HydrophobicContact CD1-CG1 4.45Å; L19-V39 HydrophobicContact CD2-CG1 3.75Å; F35-V39 HydrophobicContact CD1-CG2 4.32Å; F35-V39 HydrophobicContact CE1-CG2 3.94Å; F35-V39 HydrophobicContact CE2-CG2 4.22Å; F35-V39 HydrophobicContact CZ-CG2 3.89Å; F35-V39 WeakPolarHBondContact O-CB 3.48Å; F35-V39 VanDerWaalsContact O-CG2 3.27Å; F35-V39 WeakPolarHBondContact O-CG2 3.46Å; F35-V39 PolarHBondContact O-N 2.74Å; K37-V39 VanDerWaalsContact C-N 3.28Å; K37-V39 PolarHBondContact O-N 3.47Å; V39-E41 PolarHBondContact O-N 3.41Å; V39-V42 WeakPolarHBondContact O-CG2 3.44Å; V39-A46 HydrophobicContact CG1-CB 3.67Å; V39-C60 HydrophobicContact CG2-CB 3.98Å; V39-M75 HydrophobicContact CG2-CE 4.21Å
40L97.6Very high97.3Very high56 Ų5658.1 Ų58.129%0.29330%0.3SS..Hα-helixtrans-71.4-18.6176.8-71169.7000112.7V11 T12 P13 I16 K37 D38V11-L40 HydrophobicContact CG1-CD2 4.2Å; T12-L40 VanDerWaalsContact C-CD2 3.4Å; P13-L40 HydrophobicContact CG-CD2 4.31Å; I16-L40 HydrophobicContact CB-CD2 4.41Å; I16-L40 HydrophobicContact CD1-CD2 4.05Å; I16-L40 HydrophobicContact CD1-CG 4.08Å; I16-L40 HydrophobicContact CG1-CD1 4.41Å; I16-L40 HydrophobicContact CG1-CD2 4.44Å; I16-L40 HydrophobicContact CG1-CG 4.44Å; K37-L40 PolarHBondContact O-N 3.16Å; K37-L40 VanDerWaalsContact O-N 3.13Å; D38-L40 VanDerWaalsContact C-N 3.26Å; D38-L40 PolarHBondContact O-N 3.41Å
41E97.4Very high97.5Very high164 Ų16455.2 Ų55.277%0.76628%0.276SS*.Hα-helixtrans-99.4-11-175.1-53.9-57.2140.800113.2D38 V39D38-E41 PolarHBondContact O-N 3.16Å; V39-E41 PolarHBondContact O-N 3.41Å
42V95.8Very high97.5Very high42 Ų4255.7 Ų55.726%0.25528%0.282SS..SBendtrans-87.3-2.6-174.9-58.80000114.4D38 V39 E44 L45 A46D38-V42 WeakPolarHBondContact O-CG1 3.36Å; V39-V42 WeakPolarHBondContact O-CG2 3.44Å; V42-E44 PolarHBondContact O-N 2.91Å; V42-L45 HydrophobicContact CB-CB 3.97Å; V42-L45 HydrophobicContact CB-CD1 4.47Å; V42-L45 HydrophobicContact CG2-CB 3.91Å; V42-L45 PolarHBondContact O-N 3.34Å; V42-A46 HydrophobicContact CG2-CB 3.75Å
43G97Very high97.5Very high49 Ų4955.7 Ų55.751%0.50528%0.283SS..G310 helixtrans56.4-123.3177.300000113.3L45 A46G43-L45 PolarHBondContact O-N 3.33Å; G43-A46 PolarHBondContact O-N 2.9Å
44E97.8Very high97.6Very high97 Ų9755.5 Ų55.545%0.45328%0.281SS..G310 helixtrans-59.6-16.9-175.5-71.8-60.712600114.9V42 A46 K47 H95 I99V42-E44 PolarHBondContact O-N 2.91Å; E44-A46 PolarHBondContact O-N 3.23Å; E44-K47 IonicContact OE1-NZ 2.74Å; E44-K47 PolarHBondContact OE1-NZ 2.9Å; E44-K47 WeakPolarHBondContact OE2-CE 3.37Å; E44-K47 IonicContact OE2-NZ 2.85Å; E44-K47 PolarHBondContact OE2-NZ 3.18Å; E44-H95 PolarHBondContact O-NE2 3.41Å; E44-H95 IonicContact OE2-CE1 3.23Å; E44-H95 PolarHBondContact OE2-CE1 3.11Å; E44-H95 VanDerWaalsContact OE2-CE1 3.23Å; E44-H95 IonicContact OE2-NE2 3.6Å; E44-I99 HydrophobicContact CB-CD1 3.75Å; E44-I99 VanDerWaalsContact O-CD1 3.31Å; E44-I99 WeakPolarHBondContact O-CD1 3.28Å
45L98.4Very high97.7Very high21 Ų2149.8 Ų49.811%0.1126%0.257CS..G310 helixtrans-75.4-4.2176.9-65.8-178.5000113.7V42 G43 C61 V63 L72 I99V42-L45 HydrophobicContact CB-CB 3.97Å; V42-L45 HydrophobicContact CB-CD1 4.47Å; V42-L45 HydrophobicContact CG2-CB 3.91Å; V42-L45 PolarHBondContact O-N 3.34Å; G43-L45 PolarHBondContact O-N 3.33Å; L45-C61 HydrophobicContact CB-CB 4.08Å; L45-C61 HydrophobicContact CD2-CB 4.33Å; L45-C61 PolarHBondContact O-N 3.37Å; L45-V63 HydrophobicContact CD1-CG2 4.07Å; L45-L72 HydrophobicContact CD1-CD1 4Å; L45-L72 HydrophobicContact CD2-CD1 3.74Å; L45-L72 HydrophobicContact CD2-CD2 4.23Å; L45-I99 HydrophobicContact CD2-CD1 4.11Å; L45-I99 HydrophobicContact CD2-CG2 3.96Å
46A98.8Very high97.7Very high1 Ų149 Ų491%0.00825%0.254CS..EExtended strand (participates in β ladder)trans-129.6126.7172.300000111.4V11 V39 V42 G43 E44 V59V11-A46 HydrophobicContact CB-CB 4.39Å; V11-A46 HydrophobicContact CG2-CB 3.96Å; V39-A46 HydrophobicContact CG1-CB 3.67Å; V42-A46 HydrophobicContact CG2-CB 3.75Å; G43-A46 PolarHBondContact O-N 2.9Å; E44-A46 PolarHBondContact O-N 3.23Å; A46-V59 VanDerWaalsContact CA-O 3.31Å; A46-V59 WeakPolarHBondContact CA-O 3.22Å
47K98.9Very high97.8Very high13 Ų1348.4 Ų48.46%0.05725%0.251CS..EExtended strand (participates in β ladder)trans-139.9143178.6-63.5-68174.9172.70111.2L8 G9 D10 E44 A58 V59L8-K47 HydrophobicContact CB-CB 4.31Å; L8-K47 HydrophobicContact CB-CG 4.44Å; G9-K47 WeakPolarHBondContact O-CA 3.34Å; G9-K47 WeakPolarHBondContact O-CD 3.34Å; D10-K47 IonicContact OD1-NZ 2.61Å; D10-K47 PolarHBondContact OD1-NZ 3.3Å; E44-K47 IonicContact OE1-NZ 2.74Å; E44-K47 PolarHBondContact OE1-NZ 2.9Å; E44-K47 WeakPolarHBondContact OE2-CE 3.37Å; E44-K47 IonicContact OE2-NZ 2.85Å; E44-K47 PolarHBondContact OE2-NZ 3.18Å; K47-A58 CarbonylContact O-C 3.55Å; K47-A58 VanDerWaalsContact O-CA 3.24Å; K47-A58 WeakPolarHBondContact O-CA 3.25Å; K47-V59 HydrophobicContact CB-CG1 4.09Å; K47-V59 PolarHBondContact N-O 3.13Å; K47-V59 PolarHBondContact O-N 2.72Å
48L98.9Very high97.8Very high0 Ų041.5 Ų41.50%022%0.221CC..EExtended strand (participates in β ladder)trans-83.7143.4159.7-71.5173.3000109L8 G9 V11 N15 L19 L22 Y50 A58L8-L48 CarbonylContact C-O 3.58Å; L8-L48 VanDerWaalsContact CA-O 3.32Å; L8-L48 WeakPolarHBondContact CA-O 3.31Å; G9-L48 PolarHBondContact N-O 3.42Å; G9-L48 PolarHBondContact O-N 3.07Å; V11-L48 HydrophobicContact CG2-CG 4.28Å; N15-L48 HydrophobicContact CB-CD1 4.1Å; L19-L48 HydrophobicContact CB-CD2 4.14Å; L19-L48 HydrophobicContact CD1-CD2 4.11Å; L22-L48 HydrophobicContact CD1-CD2 3.78Å; L48-Y50 HydrophobicContact CB-CD2 4.34Å; L48-Y50 HydrophobicContact CB-CE2 3.55Å; L48-Y50 WeakPolarHBondContact CD1-OH 3.48Å; L48-A58 HydrophobicContact CD2-CB 4.07Å
49A98.8Very high97.9Very high0 Ų038.2 Ų38.20%020%0.204CC..EExtended strand (participates in β ladder)trans-106.6128.117300000110.4E7 L8 A55 V56 G57 I88 M92E7-A49 WeakPolarHBondContact O-CA 3.35Å; L8-A49 HydrophobicContact CD2-CB 3.84Å; A49-A55 WeakPolarHBondContact O-CA 3.47Å; A49-V56 PolarHBondContact O-N 2.76Å; A49-G57 PolarHBondContact N-O 2.91Å; A49-G57 PolarHBondContact O-N 3.31Å; A49-I88 HydrophobicContact CB-CG2 3.6Å; A49-M92 HydrophobicContact CB-CG 3.93Å; A49-M92 HydrophobicContact CB-SD 3.64Å
50Y98.7Very high98Very high48 Ų4838.1 Ų38.119%0.18820%0.203CC..EExtended strand (participates in β ladder)trans-110.1138.2-177.7-63.4-98.4000110.5I6 E7 L48 I54 A55I6-Y50 WeakPolarHBondContact CA-O 3.03Å; E7-Y50 PolarHBondContact N-O 3.47Å; E7-Y50 PolarHBondContact O-N 3.19Å; L48-Y50 HydrophobicContact CB-CD2 4.34Å; L48-Y50 HydrophobicContact CB-CE2 3.55Å; L48-Y50 WeakPolarHBondContact CD1-OH 3.48Å; Y50-I54 CarbonylContact C-O 3.59Å; Y50-I54 WeakPolarHBondContact CA-O 3.46Å; Y50-A55 HydrophobicContact CD1-CB 3.9Å; Y50-A55 HydrophobicContact CE1-CB 3.61Å
51F98.1Very high98.1Very high29 Ų2935.4 Ų35.413%0.12719%0.189CC..EExtended strand (participates in β ladder)trans-122.3114.8170.2-177.8-86.4000108S4 R5 I6 D53 I54 V56 Y83 L86 I88S4-F51 VanDerWaalsContact CB-CE2 3.5Å; S4-F51 WeakPolarHBondContact OG-CZ 3.45Å; R5-F51 WeakPolarHBondContact O-CA 3.46Å; I6-F51 HydrophobicContact CG1-CD2 4.03Å; I6-F51 HydrophobicContact CG1-CE2 4.48Å; F51-D53 VanDerWaalsContact C-N 3.28Å; F51-D53 PolarHBondContact O-N 2.48Å; F51-I54 PolarHBondContact N-O 3.47Å; F51-I54 PolarHBondContact O-N 2.94Å; F51-I54 VanDerWaalsContact O-N 3.15Å; F51-V56 HydrophobicContact CB-CG1 4.33Å; F51-V56 HydrophobicContact CB-CG2 3.7Å; F51-Y83 HydrophobicContact CB-CD1 4.02Å; F51-Y83 HydrophobicContact CB-CE1 4.27Å; F51-Y83 AromaticContact CD1-CD1 3.77Å; F51-Y83 HydrophobicContact CD1-CD1 3.77Å; F51-Y83 AromaticContact CD1-CE1 3.6Å; F51-Y83 HydrophobicContact CD1-CE1 3.6Å; F51-Y83 HydrophobicContact CE1-CD1 4.33Å; F51-Y83 HydrophobicContact CE1-CE1 4.18Å; F51-Y83 AromaticContact CG-CD1 3.85Å; F51-Y83 HydrophobicContact CG-CD1 3.85Å; F51-Y83 HydrophobicContact CG-CE1 4.1Å; F51-L86 HydrophobicContact CD2-CD1 4.21Å; F51-L86 HydrophobicContact CE2-CB 4.45Å; F51-L86 HydrophobicContact CE2-CD1 3.67Å; F51-L86 HydrophobicContact CZ-CD1 3.93Å; F51-I88 HydrophobicContact CB-CD1 4.17Å; F51-I88 HydrophobicContact CD2-CD1 4.18Å
52N96.5Very high98.1Very high70 Ų7032.8 Ų32.837%0.37417%0.172SC..THydrogen-bonded Turntrans46.952.9-172.2-63-20.9000111.8S4 R5 I54S4-N52 WeakPolarHBondContact CA-OD1 3.43Å; R5-N52 PolarHBondContact N-OD1 3.24Å; R5-N52 PolarHBondContact O-N 3.32Å; N52-I54 PolarHBondContact O-N 2.85Å; N52-I54 VanDerWaalsContact O-N 3.11Å
53D95.4Very high98.2Very high107 Ų10733.6 Ų33.657%0.57218%0.177SC*.THydrogen-bonded Turntrans68.34.2176.2-51-58.8000115.5R5 F51R5-D53 IonicContact NH2-OD2 3.1Å; R5-D53 PolarHBondContact NH2-OD2 2.9Å; R5-D53 VanDerWaalsContact NH2-OD2 3.1Å; F51-D53 VanDerWaalsContact C-N 3.28Å; F51-D53 PolarHBondContact O-N 2.48Å
54I97.8Very high98.2Very high95 Ų9532.9 Ų32.949%0.48716%0.161SC..EExtended strand (participates in β ladder)trans-99.3126174-56.6172.6000109.3Y50 F51 N52 V56Y50-I54 CarbonylContact C-O 3.59Å; Y50-I54 WeakPolarHBondContact CA-O 3.46Å; F51-I54 PolarHBondContact N-O 3.47Å; F51-I54 PolarHBondContact O-N 2.94Å; F51-I54 VanDerWaalsContact O-N 3.15Å; N52-I54 PolarHBondContact O-N 2.85Å; N52-I54 VanDerWaalsContact O-N 3.11Å; I54-V56 HydrophobicContact CB-CG1 4.29Å; I54-V56 HydrophobicContact CG2-CG1 3.91Å; I54-V56 WeakPolarHBondContact O-CG1 3.36Å; I54-V56 PolarHBondContact O-N 2.96Å
55A98.4Very high98.1Very high7 Ų735.2 Ų35.26%0.05817%0.172CC..EExtended strand (participates in β ladder)trans-70.9118.6173.500000110.1Q18 L22 A49 Y50Q18-A55 VanDerWaalsContact CD-CB 3.49Å; Q18-A55 HydrophobicContact CG-CB 4.22Å; L22-A55 HydrophobicContact CD1-CB 4.26Å; A49-A55 WeakPolarHBondContact O-CA 3.47Å; Y50-A55 HydrophobicContact CD1-CB 3.9Å; Y50-A55 HydrophobicContact CE1-CB 3.61Å
56V98.8Very high97.8Very high0 Ų035.6 Ų35.60%018%0.177CC..EExtended strand (participates in β ladder)trans-126.6-5.2-172.2-65.50000113.1A49 F51 I54 C79 L80 Y83 I88A49-V56 PolarHBondContact O-N 2.76Å; F51-V56 HydrophobicContact CB-CG1 4.33Å; F51-V56 HydrophobicContact CB-CG2 3.7Å; I54-V56 HydrophobicContact CB-CG1 4.29Å; I54-V56 HydrophobicContact CG2-CG1 3.91Å; I54-V56 WeakPolarHBondContact O-CG1 3.36Å; I54-V56 PolarHBondContact O-N 2.96Å; V56-C79 CarbonylContact O-C 3.56Å; V56-C79 WeakPolarHBondContact O-CA 3.3Å; V56-C79 VanDerWaalsContact O-CB 3.32Å; V56-C79 WeakPolarHBondContact O-CB 3.3Å; V56-L80 HydrophobicContact CB-CD1 4.45Å; V56-L80 WeakPolarHBondContact O-CG 3.31Å; V56-L80 PolarHBondContact O-N 2.98Å; V56-Y83 HydrophobicContact CB-CD1 4.3Å; V56-Y83 HydrophobicContact CB-CD2 3.89Å; V56-Y83 HydrophobicContact CB-CE2 4.31Å; V56-Y83 HydrophobicContact CB-CG 3.88Å; V56-Y83 HydrophobicContact CG1-CD1 3.84Å; V56-Y83 HydrophobicContact CG1-CD2 3.63Å; V56-Y83 HydrophobicContact CG1-CE1 3.77Å; V56-Y83 HydrophobicContact CG1-CE2 3.55Å; V56-Y83 HydrophobicContact CG1-CG 3.77Å; V56-Y83 HydrophobicContact CG2-CD1 4.38Å; V56-Y83 HydrophobicContact CG2-CG 4.21Å; V56-I88 HydrophobicContact CG2-CD1 3.63Å
57G98.8Very high97.4Very high0 Ų042.6 Ų42.60%021%0.209CC..EExtended strand (participates in β ladder)trans-162.9176.517800000112.3A49 G78A49-G57 PolarHBondContact N-O 2.91Å; A49-G57 PolarHBondContact O-N 3.31Å; G57-G78 CarbonylContact C-O 3.55Å; G57-G78 WeakPolarHBondContact CA-O 3.3Å
58A98.9Very high97.1Very high1 Ų150.2 Ų50.21%0.00825%0.251CS..EExtended strand (participates in β ladder)trans-155.9157176.600000111.6L19 K47 L48 L77 G78L19-A58 HydrophobicContact CD1-CB 3.24Å; K47-A58 CarbonylContact O-C 3.55Å; K47-A58 VanDerWaalsContact O-CA 3.24Å; K47-A58 WeakPolarHBondContact O-CA 3.25Å; L48-A58 HydrophobicContact CD2-CB 4.07Å; A58-L77 WeakPolarHBondContact O-CA 3.47Å; A58-G78 PolarHBondContact N-O 2.83Å; A58-G78 PolarHBondContact O-N 2.84Å
59V98.9Very high96.9Very high0 Ų053.2 Ų53.20%027%0.265CS..EExtended strand (participates in β ladder)trans-126.9137.6164.960.30000109.1A46 K47 I74 T76 L77 M92 V96A46-V59 VanDerWaalsContact CA-O 3.31Å; A46-V59 WeakPolarHBondContact CA-O 3.22Å; K47-V59 HydrophobicContact CB-CG1 4.09Å; K47-V59 PolarHBondContact N-O 3.13Å; K47-V59 PolarHBondContact O-N 2.72Å; V59-I74 HydrophobicContact CG2-CG2 4.43Å; V59-T76 CarbonylContact C-O 3.59Å; V59-T76 VanDerWaalsContact CA-O 3.3Å; V59-T76 WeakPolarHBondContact CA-O 3.48Å; V59-L77 HydrophobicContact CB-CB 4.46Å; V59-L77 HydrophobicContact CB-CD1 4.44Å; V59-L77 HydrophobicContact CB-CG 4.24Å; V59-L77 HydrophobicContact CG2-CB 4.1Å; V59-L77 HydrophobicContact CG2-CD1 3.93Å; V59-L77 HydrophobicContact CG2-CG 4.1Å; V59-M92 HydrophobicContact CB-CB 4.09Å; V59-M92 HydrophobicContact CB-CG 4.44Å; V59-M92 HydrophobicContact CB-SD 4.18Å; V59-M92 HydrophobicContact CG1-CB 4Å; V59-M92 HydrophobicContact CG1-CG 4.21Å; V59-M92 HydrophobicContact CG1-SD 4.4Å; V59-V96 HydrophobicContact CG1-CG2 4.2Å; V59-V96 HydrophobicContact CG2-CG2 3.75Å
60C98.8Very high96.8Very high0 Ų055.7 Ų55.70%028%0.275CS..EExtended strand (participates in β ladder)trans-137.1122.1174.7-56.40000108.9F35 V39 M75 T76F35-C60 HydrophobicContact CZ-CB 3.95Å; V39-C60 HydrophobicContact CG2-CB 3.98Å; C60-M75 HydrophobicContact CB-CE 4.16Å; C60-M75 WeakPolarHBondContact O-CB 3.35Å; C60-M75 PolarHBondContact O-N 3.14Å; C60-T76 VanDerWaalsContact CB-OG1 3.3Å; C60-T76 WeakPolarHBondContact CB-OG1 3.39Å; C60-T76 PolarHBondContact N-O 2.86Å; C60-T76 PolarHBondContact O-N 3.07Å
61C98.8Very high96.8Very high0 Ų053.8 Ų53.80%027%0.268CS..EExtended strand (participates in β ladder)trans-121.1162.2-179.5-62.40000110.8L45 L72 Y73L45-C61 HydrophobicContact CB-CB 4.08Å; L45-C61 HydrophobicContact CD2-CB 4.33Å; L45-C61 PolarHBondContact O-N 3.37Å; C61-L72 HydrophobicContact CB-CD1 4.22Å; C61-L72 HydrophobicContact CB-CD2 4.18Å; C61-L72 HydrophobicContact CB-CG 4.21Å; C61-Y73 CarbonylContact C-O 3.53Å; C61-Y73 VanDerWaalsContact CA-O 3.23Å; C61-Y73 WeakPolarHBondContact CA-O 3.32Å
62R97.8Very high96.8Very high109 Ų10952.4 Ų52.441%0.41126%0.262SS..EExtended strand (participates in β ladder)trans-139.7154.2167.766.3176.3-175.3-116.62.7110.1Y73 M75R62-Y73 HydrophobicContact CG-CD1 4.1Å; R62-Y73 PolarHBondContact N-O 2.94Å; R62-Y73 PolarHBondContact O-N 3.05Å; R62-M75 HydrophobicContact CB-CE 4.09Å; R62-M75 HydrophobicContact CB-SD 4.22Å; R62-M75 HydrophobicContact CG-CE 4.4Å; R62-M75 HydrophobicContact CG-CG 4.12Å; R62-M75 HydrophobicContact CG-SD 3.92Å; R62-M75 PolarHBondContact NH1-SD 3.24Å
63V98Very high96.9Very high59 Ų5949.9 Ų49.936%0.35825%0.247SC..EExtended strand (participates in β ladder)trans-75.8133.3167.3-175.20000108.3L45 H65 K70 L72 F106L45-V63 HydrophobicContact CD1-CG2 4.07Å; V63-H65 WeakPolarHBondContact CG1-NE2 3.49Å; V63-K70 HydrophobicContact CG1-CG 4.03Å; V63-L72 HydrophobicContact CG2-CD1 4.43Å; V63-F106 HydrophobicContact CG1-CE1 4.13Å; V63-F106 HydrophobicContact CG2-CE1 4.07Å; V63-F106 HydrophobicContact CG2-CZ 3.95Å
64D97.4Very high97.1Very high33 Ų3345 Ų4518%0.17622%0.221CC..EExtended strand (participates in β ladder)trans-121.8121.9178.3178.642.4000109.5S66 R71 Y110D64-S66 WeakPolarHBondContact OD2-CB 3.1Å; D64-S66 PolarHBondContact OD2-OG 3.27Å; D64-R71 HydrophobicContact CB-CB 4.38Å; D64-R71 PolarHBondContact N-O 2.82Å; D64-R71 PolarHBondContact O-N 2.85Å; D64-Y110 HydrophobicContact CB-CE1 4.3Å; D64-Y110 PolarHBondContact OD2-OH 3.27Å
65H95.9Very high97.1Very high146 Ų14641.5 Ų41.568%0.67620%0.203SC*.EExtended strand (participates in β ladder)trans-102.583.3175.4-67.6-84.3000108.3V63V63-H65 WeakPolarHBondContact CG1-NE2 3.49Å
66S92Very high97.1Very high30 Ų3041.3 Ų41.321%0.2120%0.201CC..EExtended strand (participates in β ladder)trans-130.2152.5-179670000110D64 N68 Q69 R71D64-S66 WeakPolarHBondContact OD2-CB 3.1Å; D64-S66 PolarHBondContact OD2-OG 3.27Å; S66-N68 PolarHBondContact O-N 3.24Å; S66-N68 VanDerWaalsContact O-N 3.15Å; S66-Q69 PolarHBondContact N-O 2.81Å; S66-Q69 PolarHBondContact O-N 3.13Å; S66-R71 PolarHBondContact OG-NH1 3.38Å
67Q89.3Confident97.1Very high147 Ų14742.3 Ų42.369%0.68721%0.206SC*.THydrogen-bonded Turntrans56.332.6176.7-50.4-179.715.900114.1Q69Q67-Q69 PolarHBondContact O-N 2.94Å
68N93.1Very high97.1Very high174 Ų17442.9 Ų42.993%0.9321%0.212SC*.THydrogen-bonded Turntrans57.628-175.1-15646.1000114S66S66-N68 PolarHBondContact O-N 3.24Å; S66-N68 VanDerWaalsContact O-N 3.15Å
69Q94.6Very high97.1Very high63 Ų6343.4 Ų43.429%0.29422%0.215SC..EExtended strand (participates in β ladder)trans-124147.8178.8-69.4179.1-19.500110.4S66 Q67 R71 D107 N108S66-Q69 PolarHBondContact N-O 2.81Å; S66-Q69 PolarHBondContact O-N 3.13Å; Q67-Q69 PolarHBondContact O-N 2.94Å; Q69-R71 HydrophobicContact CB-CG 3.7Å; Q69-D107 VanDerWaalsContact CA-OD2 3.27Å; Q69-D107 WeakPolarHBondContact CA-OD2 3.19Å; Q69-D107 HydrophobicContact CB-CB 4.01Å; Q69-D107 WeakPolarHBondContact CB-OD2 3.46Å; Q69-D107 HydrophobicContact CG-CB 4.11Å; Q69-N108 PolarHBondContact OE1-ND2 2.95Å
70K97.3Very high97.1Very high51 Ų5145.4 Ų45.422%0.22223%0.226CC..EExtended strand (participates in β ladder)trans-90.5109.6164.3-178-177.8169.1-174.40107.6V63 D103 T105 F106 D107V63-K70 HydrophobicContact CG1-CG 4.03Å; K70-D103 IonicContact NZ-OD1 2.88Å; K70-D103 PolarHBondContact NZ-OD1 3.14Å; K70-D103 IonicContact NZ-OD2 3.14Å; K70-D103 PolarHBondContact NZ-OD2 3.02Å; K70-T105 VanDerWaalsContact CD-OG1 3.3Å; K70-T105 WeakPolarHBondContact CD-OG1 3.43Å; K70-T105 WeakPolarHBondContact CE-OG1 3.46Å; K70-T105 PolarHBondContact NZ-OG1 2.8Å; K70-F106 HydrophobicContact CD-CD1 4.38Å; K70-F106 HydrophobicContact CD-CE1 4.39Å; K70-F106 HydrophobicContact CG-CD1 3.92Å; K70-F106 HydrophobicContact CG-CE1 4.05Å; K70-F106 CarbonylContact O-C 3.53Å; K70-F106 WeakPolarHBondContact O-CA 3.27Å; K70-D107 PolarHBondContact N-OD2 3.27Å; K70-D107 PolarHBondContact O-N 2.98Å
71R98.1Very high97Very high9 Ų948.4 Ų48.43%0.03425%0.251CS..EExtended strand (participates in β ladder)trans-117.1147.6-173.5-54173.568.8-171.79.6110.1D64 S66 Q69 N108 Y110D64-R71 HydrophobicContact CB-CB 4.38Å; D64-R71 PolarHBondContact N-O 2.82Å; D64-R71 PolarHBondContact O-N 2.85Å; S66-R71 PolarHBondContact OG-NH1 3.38Å; Q69-R71 HydrophobicContact CB-CG 3.7Å; R71-N108 WeakPolarHBondContact CA-O 3.45Å; R71-N108 WeakPolarHBondContact CG-OD1 3.41Å; R71-N108 PolarHBondContact NE-OD1 2.61Å; R71-Y110 HydrophobicContact CB-CD1 4.06Å; R71-Y110 HydrophobicContact CB-CE1 3.86Å
72L98.6Very high97Very high0 Ų053.8 Ų53.80%029%0.286CS..EExtended strand (participates in β ladder)trans-98.2120168.2-16577.7000109.9L45 C61 V63 V96 C100 F106 N108 I109 Y110L45-L72 HydrophobicContact CD1-CD1 4Å; L45-L72 HydrophobicContact CD2-CD1 3.74Å; L45-L72 HydrophobicContact CD2-CD2 4.23Å; C61-L72 HydrophobicContact CB-CD1 4.22Å; C61-L72 HydrophobicContact CB-CD2 4.18Å; C61-L72 HydrophobicContact CB-CG 4.21Å; V63-L72 HydrophobicContact CG2-CD1 4.43Å; L72-V96 HydrophobicContact CD2-CG1 3.12Å; L72-C100 WeakPolarHBondContact CD2-SG 3.2Å; L72-F106 HydrophobicContact CB-CD1 3.86Å; L72-F106 HydrophobicContact CB-CE1 3.78Å; L72-F106 HydrophobicContact CB-CZ 4.45Å; L72-F106 HydrophobicContact CD1-CE1 3.76Å; L72-F106 HydrophobicContact CD1-CZ 3.82Å; L72-F106 HydrophobicContact CG-CE1 4.38Å; L72-N108 PolarHBondContact N-O 2.87Å; L72-I109 HydrophobicContact CB-CB 4.26Å; L72-I109 HydrophobicContact CB-CG1 4.09Å; L72-I109 HydrophobicContact CD2-CD1 3.84Å; L72-I109 HydrophobicContact CD2-CG1 4.29Å; L72-I109 CarbonylContact O-C 3.53Å; L72-I109 VanDerWaalsContact O-CA 3.28Å; L72-I109 WeakPolarHBondContact O-CA 3.35Å; L72-I109 WeakPolarHBondContact O-CG1 3.43Å; L72-Y110 PolarHBondContact O-N 2.97Å
73Y98.7Very high97Very high16 Ų1651.3 Ų51.36%0.06328%0.277CS..EExtended strand (participates in β ladder)trans-100.5116.4177.7-177.7-120.3000110.9C61 R62 M75 Y110 H112 Y138C61-Y73 CarbonylContact C-O 3.53Å; C61-Y73 VanDerWaalsContact CA-O 3.23Å; C61-Y73 WeakPolarHBondContact CA-O 3.32Å; R62-Y73 HydrophobicContact CG-CD1 4.1Å; R62-Y73 PolarHBondContact N-O 2.94Å; R62-Y73 PolarHBondContact O-N 3.05Å; Y73-M75 HydrophobicContact CD1-CB 4.46Å; Y73-M75 HydrophobicContact CD1-CG 3.53Å; Y73-M75 HydrophobicContact CE1-CB 4.27Å; Y73-M75 HydrophobicContact CE1-CG 3.68Å; Y73-M75 PolarHBondContact O-N 2.96Å; Y73-Y110 HydrophobicContact CD2-CD1 4.19Å; Y73-Y110 AromaticContact CD2-CD2 3.68Å; Y73-Y110 HydrophobicContact CD2-CD2 3.68Å; Y73-Y110 AromaticContact CD2-CE1 3.82Å; Y73-Y110 HydrophobicContact CD2-CE1 3.82Å; Y73-Y110 AromaticContact CD2-CE2 3.24Å; Y73-Y110 HydrophobicContact CD2-CE2 3.24Å; Y73-Y110 HydrophobicContact CD2-CG 4.15Å; Y73-Y110 AromaticContact CD2-CZ 3.33Å; Y73-Y110 WeakPolarHBondContact CD2-O 3.49Å; Y73-Y110 HydrophobicContact CE2-CD2 4.01Å; Y73-Y110 AromaticContact CE2-CE2 3.57Å; Y73-Y110 HydrophobicContact CE2-CE2 3.57Å; Y73-Y110 HydrophobicContact CG-CE1 4.21Å; Y73-Y110 HydrophobicContact CG-CE2 4.23Å; Y73-Y110 AromaticContact CG-CZ 3.88Å; Y73-H112 AromaticContact CE2-CE1 3.88Å; Y73-H112 AromaticContact CE2-ND1 3.37Å; Y73-H112 WeakPolarHBondContact CE2-ND1 3.45Å; Y73-H112 AromaticContact CZ-ND1 3.54Å; Y73-H112 PolarHBondContact OH-ND1 3.37Å; Y73-Y138 PolarHBondContact OH-OH 3.37Å
74I98.9Very high97Very high4 Ų454.9 Ų54.92%0.02128%0.284CS..EExtended strand (participates in β ladder)trans-80106.1171.1-52.8172.2000107.9V59 L77 L93 I109 Y110 L111 Y124 F129V59-I74 HydrophobicContact CG2-CG2 4.43Å; I74-L77 HydrophobicContact CG2-CB 3.77Å; I74-L77 HydrophobicContact CG2-CD1 4.49Å; I74-L93 HydrophobicContact CD1-CD1 3.89Å; I74-I109 HydrophobicContact CD1-CD1 3.7Å; I74-I109 HydrophobicContact CD1-CG1 3.98Å; I74-I109 HydrophobicContact CG1-CD1 3.89Å; I74-I109 HydrophobicContact CG1-CG1 3.97Å; I74-Y110 PolarHBondContact N-O 2.92Å; I74-L111 HydrophobicContact CB-CB 4.11Å; I74-L111 HydrophobicContact CD1-CD2 4.02Å; I74-Y124 HydrophobicContact CD1-CE1 4.26Å; I74-F129 HydrophobicContact CD1-CZ 4.33Å
75M98.4Very high97Very high22 Ų2263.7 Ų63.711%0.10832%0.315CS..EExtended strand (participates in β ladder)trans-77.3-41.1-179.6-60.4-176.5-74.300111.9Y31 F35 V39 C60 R62 Y73Y31-M75 PolarHBondContact OH-O 3.31Å; F35-M75 HydrophobicContact CD2-CE 4.28Å; F35-M75 HydrophobicContact CD2-SD 3.97Å; F35-M75 HydrophobicContact CE2-CB 3.86Å; F35-M75 HydrophobicContact CE2-CE 3.74Å; F35-M75 HydrophobicContact CE2-CG 4.43Å; F35-M75 HydrophobicContact CE2-SD 3.73Å; V39-M75 HydrophobicContact CG2-CE 4.21Å; C60-M75 HydrophobicContact CB-CE 4.16Å; C60-M75 WeakPolarHBondContact O-CB 3.35Å; C60-M75 PolarHBondContact O-N 3.14Å; R62-M75 HydrophobicContact CB-CE 4.09Å; R62-M75 HydrophobicContact CB-SD 4.22Å; R62-M75 HydrophobicContact CG-CE 4.4Å; R62-M75 HydrophobicContact CG-CG 4.12Å; R62-M75 HydrophobicContact CG-SD 3.92Å; R62-M75 PolarHBondContact NH1-SD 3.24Å; Y73-M75 HydrophobicContact CD1-CB 4.46Å; Y73-M75 HydrophobicContact CD1-CG 3.53Å; Y73-M75 HydrophobicContact CE1-CB 4.27Å; Y73-M75 HydrophobicContact CE1-CG 3.68Å; Y73-M75 PolarHBondContact O-N 2.96Å
76T98.7Very high97Very high3 Ų360.6 Ų60.62%0.01830%0.303CS..EExtended strand (participates in β ladder)trans-147.2134.1177.751.30000109.4F27 Y31 F35 V59 C60F27-T76 HydrophobicContact CD2-CG2 3.91Å; F27-T76 HydrophobicContact CE1-CG2 4.49Å; F27-T76 HydrophobicContact CE2-CG2 3.6Å; F27-T76 HydrophobicContact CZ-CG2 3.93Å; Y31-T76 HydrophobicContact CD2-CG2 4.34Å; Y31-T76 HydrophobicContact CE1-CG2 4.02Å; Y31-T76 HydrophobicContact CE2-CG2 3.48Å; Y31-T76 VanDerWaalsContact CE2-CG2 3.48Å; Y31-T76 WeakPolarHBondContact OH-CG2 3.47Å; F35-T76 HydrophobicContact CZ-CG2 4.22Å; V59-T76 CarbonylContact C-O 3.59Å; V59-T76 VanDerWaalsContact CA-O 3.3Å; V59-T76 WeakPolarHBondContact CA-O 3.48Å; C60-T76 VanDerWaalsContact CB-OG1 3.3Å; C60-T76 WeakPolarHBondContact CB-OG1 3.39Å; C60-T76 PolarHBondContact N-O 2.86Å; C60-T76 PolarHBondContact O-N 3.07Å
77L98.8Very high97.3Very high21 Ų2161 Ų6111%0.1131%0.311CS..EExtended strand (participates in β ladder)trans-146.4119.7165.9-176.3160.8000107.7A58 V59 I74 M92 L93 F123 Y124A58-L77 WeakPolarHBondContact O-CA 3.47Å; V59-L77 HydrophobicContact CB-CB 4.46Å; V59-L77 HydrophobicContact CB-CD1 4.44Å; V59-L77 HydrophobicContact CB-CG 4.24Å; V59-L77 HydrophobicContact CG2-CB 4.1Å; V59-L77 HydrophobicContact CG2-CD1 3.93Å; V59-L77 HydrophobicContact CG2-CG 4.1Å; I74-L77 HydrophobicContact CG2-CB 3.77Å; I74-L77 HydrophobicContact CG2-CD1 4.49Å; L77-M92 HydrophobicContact CD1-CB 4.33Å; L77-M92 HydrophobicContact CD2-CE 3.96Å; L77-M92 HydrophobicContact CG-CB 4.38Å; L77-M92 HydrophobicContact CG-CE 4.18Å; L77-L93 HydrophobicContact CD1-CB 4.02Å; L77-L93 HydrophobicContact CD1-CD1 4.27Å; L77-F123 HydrophobicContact CD2-CE1 4.29Å; L77-Y124 WeakPolarHBondContact CB-OH 3.49Å
78G98.5Very high97.8Very high12 Ų1254 Ų5412%0.12428%0.279CS..EExtended strand (participates in β ladder)trans-175165-178.900000113.7G57 A58G57-G78 CarbonylContact C-O 3.55Å; G57-G78 WeakPolarHBondContact CA-O 3.3Å; A58-G78 PolarHBondContact N-O 2.83Å; A58-G78 PolarHBondContact O-N 2.84Å
79C98.5Very high98Very high12 Ų1246.5 Ų46.58%0.08124%0.242CC..EExtended strand (participates in β ladder)trans-136.2159.1173620000110.7V56 I88V56-C79 CarbonylContact O-C 3.56Å; V56-C79 WeakPolarHBondContact O-CA 3.3Å; V56-C79 VanDerWaalsContact O-CB 3.32Å; V56-C79 WeakPolarHBondContact O-CB 3.3Å; C79-I88 HydrophobicContact CB-CG2 4.28Å
80L98.6Very high98.2Very high42 Ų4246 Ų4622%0.2224%0.244CC..  trans-54.3138.8174.9-66.4176.7000110.3L22 V25 I26 V56 P82 Y83L22-L80 HydrophobicContact CD2-CD1 3.96Å; L22-L80 HydrophobicContact CD2-CD2 4.05Å; L22-L80 HydrophobicContact CD2-CG 3.86Å; V25-L80 HydrophobicContact CB-CD2 4.2Å; V25-L80 HydrophobicContact CG1-CD2 3.67Å; I26-L80 HydrophobicContact CD1-CD2 4.46Å; I26-L80 HydrophobicContact CG1-CD2 4.09Å; V56-L80 HydrophobicContact CB-CD1 4.45Å; V56-L80 WeakPolarHBondContact O-CG 3.31Å; V56-L80 PolarHBondContact O-N 2.98Å; L80-P82 VanDerWaalsContact C-CD 3.43Å; L80-P82 VanDerWaalsContact C-N 3.34Å; L80-Y83 HydrophobicContact CB-CD2 3.98Å; L80-Y83 HydrophobicContact CD1-CE2 4.5Å; L80-Y83 PolarHBondContact O-N 3.01Å
81A98Very high98.3Very high64 Ų6447.7 Ų47.753%0.52925%0.251SS..G310 helixtrans-51.4-42-17400000114.8Y83 R84A81-Y83 PolarHBondContact O-N 3.32Å; A81-Y83 VanDerWaalsContact O-N 3.13Å; A81-R84 WeakPolarHBondContact O-CB 3.42Å; A81-R84 PolarHBondContact O-N 3.3Å
82P98.3Very high98.3Very high112 Ų11247.2 Ų47.273%0.72725%0.249SC*.G310 helixtrans-63.8-16.4178.1-2436000115.3L80L80-P82 VanDerWaalsContact C-CD 3.43Å; L80-P82 VanDerWaalsContact C-N 3.34Å
83Y98.1Very high98.3Very high58 Ų5847.2 Ų47.223%0.22725%0.249CC..G310 helixtrans-108.56.7-177.1-61.8-90.3000113F51 V56 L80 A81 L86 I88F51-Y83 HydrophobicContact CB-CD1 4.02Å; F51-Y83 HydrophobicContact CB-CE1 4.27Å; F51-Y83 AromaticContact CD1-CD1 3.77Å; F51-Y83 HydrophobicContact CD1-CD1 3.77Å; F51-Y83 AromaticContact CD1-CE1 3.6Å; F51-Y83 HydrophobicContact CD1-CE1 3.6Å; F51-Y83 HydrophobicContact CE1-CD1 4.33Å; F51-Y83 HydrophobicContact CE1-CE1 4.18Å; F51-Y83 AromaticContact CG-CD1 3.85Å; F51-Y83 HydrophobicContact CG-CD1 3.85Å; F51-Y83 HydrophobicContact CG-CE1 4.1Å; V56-Y83 HydrophobicContact CB-CD1 4.3Å; V56-Y83 HydrophobicContact CB-CD2 3.89Å; V56-Y83 HydrophobicContact CB-CE2 4.31Å; V56-Y83 HydrophobicContact CB-CG 3.88Å; V56-Y83 HydrophobicContact CG1-CD1 3.84Å; V56-Y83 HydrophobicContact CG1-CD2 3.63Å; V56-Y83 HydrophobicContact CG1-CE1 3.77Å; V56-Y83 HydrophobicContact CG1-CE2 3.55Å; V56-Y83 HydrophobicContact CG1-CG 3.77Å; V56-Y83 HydrophobicContact CG2-CD1 4.38Å; V56-Y83 HydrophobicContact CG2-CG 4.21Å; L80-Y83 HydrophobicContact CB-CD2 3.98Å; L80-Y83 HydrophobicContact CD1-CE2 4.5Å; L80-Y83 PolarHBondContact O-N 3.01Å; A81-Y83 PolarHBondContact O-N 3.32Å; A81-Y83 VanDerWaalsContact O-N 3.13Å; Y83-L86 HydrophobicContact CD1-CD1 4.43Å; Y83-I88 WeakPolarHBondContact O-CD1 3.48Å
84R97.6Very high98.3Very high134 Ų13449.5 Ų49.551%0.50626%0.262SS..THydrogen-bonded Turntrans-68.6159.8175.5-68.6177.2-175.9172.30.6110.7A81 L86A81-R84 WeakPolarHBondContact O-CB 3.42Å; A81-R84 PolarHBondContact O-N 3.3Å; R84-L86 PolarHBondContact O-N 3.23Å; R84-L86 VanDerWaalsContact O-N 3.11Å
85R96.6Very high98.3Very high217 Ų21751.1 Ų51.182%0.81927%0.27SS*.THydrogen-bonded Turntrans61.812.8179.5-51.2-62.2-67.4-110.6-6.5115.2
86L97.1Very high98.3Very high82 Ų8250.1 Ų50.143%0.42927%0.265SS..SBendtrans-96.810.3172.5-58.7177.4000113.4I6 F51 Y83 R84 I88I6-L86 WeakPolarHBondContact CD1-O 3.24Å; F51-L86 HydrophobicContact CD2-CD1 4.21Å; F51-L86 HydrophobicContact CE2-CB 4.45Å; F51-L86 HydrophobicContact CE2-CD1 3.67Å; F51-L86 HydrophobicContact CZ-CD1 3.93Å; Y83-L86 HydrophobicContact CD1-CD1 4.43Å; R84-L86 PolarHBondContact O-N 3.23Å; R84-L86 VanDerWaalsContact O-N 3.11Å; L86-I88 HydrophobicContact CB-CG1 4.34Å
87G97.8Very high98.3Very high37 Ų3751.2 Ų51.238%0.38127%0.27SS..SBendtrans83.82.6-179.400000115.6T90 K91G87-T90 WeakPolarHBondContact O-CB 3.32Å; G87-T90 PolarHBondContact O-N 3.3Å; G87-K91 PolarHBondContact O-N 2.85Å
88I98.6Very high98.3Very high2 Ų253.8 Ų53.81%0.0128%0.284CS..Hα-helixtrans-62.3-46.8-179.8-54-178.2000111.7I6 A49 F51 V56 C79 Y83 L86 T90 K91 M92I6-I88 HydrophobicContact CD1-CG1 4.09Å; I6-I88 HydrophobicContact CG2-CG1 4.06Å; A49-I88 HydrophobicContact CB-CG2 3.6Å; F51-I88 HydrophobicContact CB-CD1 4.17Å; F51-I88 HydrophobicContact CD2-CD1 4.18Å; V56-I88 HydrophobicContact CG2-CD1 3.63Å; C79-I88 HydrophobicContact CB-CG2 4.28Å; Y83-I88 WeakPolarHBondContact O-CD1 3.48Å; L86-I88 HydrophobicContact CB-CG1 4.34Å; I88-T90 VanDerWaalsContact C-N 3.34Å; I88-T90 PolarHBondContact O-N 2.96Å; I88-K91 PolarHBondContact O-N 3.2Å; I88-M92 HydrophobicContact CG2-CE 4.23Å; I88-M92 PolarHBondContact O-N 2.92Å
89G98.6Very high98.3Very high15 Ų1555 Ų5516%0.15529%0.287CS..Hα-helixtrans-58.9-44.317600000112.3K91 M92 L93G89-K91 PolarHBondContact O-N 2.87Å; G89-M92 PolarHBondContact O-N 2.9Å; G89-L93 WeakPolarHBondContact O-CB 3.3Å; G89-L93 PolarHBondContact O-N 2.83Å
90T98.7Very high98.3Very high54 Ų5454.6 Ų54.633%0.33129%0.285SS..Hα-helixtrans-58.3-45.5174.7-59.50000111.7G87 I88 M92 L93 N94 F127G87-T90 WeakPolarHBondContact O-CB 3.32Å; G87-T90 PolarHBondContact O-N 3.3Å; I88-T90 VanDerWaalsContact C-N 3.34Å; I88-T90 PolarHBondContact O-N 2.96Å; T90-M92 PolarHBondContact O-N 2.95Å; T90-L93 PolarHBondContact O-N 3.35Å; T90-N94 VanDerWaalsContact O-CB 3.31Å; T90-N94 WeakPolarHBondContact O-CB 3.46Å; T90-N94 VanDerWaalsContact O-CG 3.29Å; T90-N94 PolarHBondContact O-N 2.86Å; T90-F127 HydrophobicContact CG2-CE1 4.16Å; T90-F127 HydrophobicContact CG2-CZ 3.75Å
91K98.8Very high98.2Very high85 Ų8559.8 Ų59.837%0.3731%0.308SS..Hα-helixtrans-61.1-45178.5-166.3-173.7179.497.60111.7I6 L8 G87 I88 G89 H95I6-K91 HydrophobicContact CB-CD 4.13Å; I6-K91 HydrophobicContact CG2-CB 4.5Å; I6-K91 HydrophobicContact CG2-CD 3.55Å; I6-K91 WeakPolarHBondContact O-CE 3.14Å; I6-K91 PolarHBondContact O-NZ 3.24Å; L8-K91 HydrophobicContact CD1-CG 4.41Å; L8-K91 HydrophobicContact CD2-CD 4.37Å; L8-K91 HydrophobicContact CG-CD 4.14Å; L8-K91 HydrophobicContact CG-CG 4.31Å; G87-K91 PolarHBondContact O-N 2.85Å; I88-K91 PolarHBondContact O-N 3.2Å; G89-K91 PolarHBondContact O-N 2.87Å; K91-H95 WeakPolarHBondContact O-CB 3.31Å; K91-H95 PolarHBondContact O-N 2.82Å; K91-H95 VanDerWaalsContact O-N 3.1Å
92M98.9Very high98.1Very high0 Ų065.4 Ų65.40%032%0.32CS..Hα-helixtrans-64.7-45.2177.6-70.3-173.9-62.100112.4L8 A49 V59 L77 I88 G89 T90 H95 V96L8-M92 HydrophobicContact CD2-CG 3.76Å; A49-M92 HydrophobicContact CB-CG 3.93Å; A49-M92 HydrophobicContact CB-SD 3.64Å; V59-M92 HydrophobicContact CB-CB 4.09Å; V59-M92 HydrophobicContact CB-CG 4.44Å; V59-M92 HydrophobicContact CB-SD 4.18Å; V59-M92 HydrophobicContact CG1-CB 4Å; V59-M92 HydrophobicContact CG1-CG 4.21Å; V59-M92 HydrophobicContact CG1-SD 4.4Å; L77-M92 HydrophobicContact CD1-CB 4.33Å; L77-M92 HydrophobicContact CD2-CE 3.96Å; L77-M92 HydrophobicContact CG-CB 4.38Å; L77-M92 HydrophobicContact CG-CE 4.18Å; I88-M92 HydrophobicContact CG2-CE 4.23Å; I88-M92 PolarHBondContact O-N 2.92Å; G89-M92 PolarHBondContact O-N 2.9Å; T90-M92 PolarHBondContact O-N 2.95Å; M92-H95 WeakPolarHBondContact O-CB 3.44Å; M92-H95 PolarHBondContact O-N 2.91Å; M92-V96 WeakPolarHBondContact O-CG2 3.37Å; M92-V96 PolarHBondContact O-N 3.06Å
93L98.9Very high98Very high0 Ų063.3 Ų63.30%030%0.303CS..Hα-helixtrans-66.8-43.7-179.5-177.457.3000111.6I74 L77 G89 T90 H95 V96 L97 F123 Y124 F127 F129I74-L93 HydrophobicContact CD1-CD1 3.89Å; L77-L93 HydrophobicContact CD1-CB 4.02Å; L77-L93 HydrophobicContact CD1-CD1 4.27Å; G89-L93 WeakPolarHBondContact O-CB 3.3Å; G89-L93 PolarHBondContact O-N 2.83Å; T90-L93 PolarHBondContact O-N 3.35Å; L93-H95 VanDerWaalsContact C-N 3.31Å; L93-H95 PolarHBondContact O-N 2.86Å; L93-V96 PolarHBondContact O-N 3.32Å; L93-V96 VanDerWaalsContact O-N 3.16Å; L93-L97 HydrophobicContact CD1-CD1 4.43Å; L93-L97 HydrophobicContact CD1-CG 4.31Å; L93-L97 HydrophobicContact CG-CD1 4.02Å; L93-L97 HydrophobicContact CG-CG 4.36Å; L93-L97 WeakPolarHBondContact O-CG 3.14Å; L93-L97 PolarHBondContact O-N 2.89Å; L93-F123 HydrophobicContact CB-CE1 4.5Å; L93-F123 HydrophobicContact CB-CZ 4.15Å; L93-F123 HydrophobicContact CD2-CE1 3.75Å; L93-F123 HydrophobicContact CD2-CZ 3.85Å; L93-Y124 HydrophobicContact CD1-CE1 4.22Å; L93-Y124 HydrophobicContact CD2-CD1 4.03Å; L93-Y124 HydrophobicContact CD2-CE1 4.09Å; L93-F127 HydrophobicContact CD2-CB 3.87Å; L93-F127 HydrophobicContact CD2-CD1 3.75Å; L93-F127 HydrophobicContact CD2-CD2 3.53Å; L93-F127 HydrophobicContact CD2-CE1 4.16Å; L93-F127 HydrophobicContact CD2-CE2 3.98Å; L93-F127 HydrophobicContact CD2-CG 3.42Å; L93-F127 VanDerWaalsContact CD2-CG 3.42Å; L93-F127 HydrophobicContact CD2-CZ 4.28Å; L93-F127 HydrophobicContact CG-CD1 4.33Å; L93-F127 HydrophobicContact CG-CG 4.43Å; L93-F129 HydrophobicContact CD1-CE2 4.27Å; L93-F129 HydrophobicContact CD1-CZ 4.31Å; L93-F129 HydrophobicContact CD2-CE2 4.33Å
94N98.8Very high97.9Very high64 Ų6463.1 Ų63.134%0.34232%0.319SS..Hα-helixtrans-61.5-38.4176.4-75.6-11.1000112.2T90 V96 L97 N98 F127T90-N94 VanDerWaalsContact O-CB 3.31Å; T90-N94 WeakPolarHBondContact O-CB 3.46Å; T90-N94 VanDerWaalsContact O-CG 3.29Å; T90-N94 PolarHBondContact O-N 2.86Å; N94-V96 VanDerWaalsContact C-N 3.3Å; N94-V96 PolarHBondContact O-N 3.28Å; N94-L97 PolarHBondContact O-N 3.26Å; N94-N98 WeakPolarHBondContact O-CB 3.4Å; N94-N98 PolarHBondContact O-N 3.09Å; N94-N98 PolarHBondContact O-ND2 3.37Å; N94-N98 PolarHBondContact O-OD1 3.25Å; N94-F127 WeakPolarHBondContact OD1-CE1 3.47Å
95H98.8Very high97.9Very high38 Ų3859.7 Ų59.718%0.17631%0.313CS..Hα-helixtrans-55.6-47.7173.7174.976.9000111.5L8 E44 K91 M92 L93 N98 I99L8-H95 HydrophobicContact CD1-CB 3.47Å; L8-H95 VanDerWaalsContact CD1-CB 3.47Å; E44-H95 PolarHBondContact O-NE2 3.41Å; E44-H95 IonicContact OE2-CE1 3.23Å; E44-H95 PolarHBondContact OE2-CE1 3.11Å; E44-H95 VanDerWaalsContact OE2-CE1 3.23Å; E44-H95 IonicContact OE2-NE2 3.6Å; K91-H95 WeakPolarHBondContact O-CB 3.31Å; K91-H95 PolarHBondContact O-N 2.82Å; K91-H95 VanDerWaalsContact O-N 3.1Å; M92-H95 WeakPolarHBondContact O-CB 3.44Å; M92-H95 PolarHBondContact O-N 2.91Å; L93-H95 VanDerWaalsContact C-N 3.31Å; L93-H95 PolarHBondContact O-N 2.86Å; H95-N98 PolarHBondContact O-N 2.79Å; H95-I99 WeakPolarHBondContact NE2-CD1 3.43Å; H95-I99 WeakPolarHBondContact O-CG1 3.11Å; H95-I99 PolarHBondContact O-N 3.38Å; H95-I99 VanDerWaalsContact O-N 3.16Å
96V98.6Very high97.9Very high0 Ų049.7 Ų49.70%028%0.275CS..Hα-helixtrans-68.5-42.2-179.6179.10000112V59 L72 M92 L93 N94 N98 I99 C100 I109V59-V96 HydrophobicContact CG1-CG2 4.2Å; V59-V96 HydrophobicContact CG2-CG2 3.75Å; L72-V96 HydrophobicContact CD2-CG1 3.12Å; M92-V96 WeakPolarHBondContact O-CG2 3.37Å; M92-V96 PolarHBondContact O-N 3.06Å; L93-V96 PolarHBondContact O-N 3.32Å; L93-V96 VanDerWaalsContact O-N 3.16Å; N94-V96 VanDerWaalsContact C-N 3.3Å; N94-V96 PolarHBondContact O-N 3.28Å; V96-N98 VanDerWaalsContact C-N 3.32Å; V96-N98 PolarHBondContact O-N 3.13Å; V96-I99 WeakPolarHBondContact O-CB 3.48Å; V96-I99 PolarHBondContact O-N 2.85Å; V96-C100 PolarHBondContact O-N 2.95Å; V96-C100 VanDerWaalsContact O-N 3.13Å; V96-I109 HydrophobicContact CG1-CD1 3.73Å
97L98.6Very high97.9Very high26 Ų2647 Ų4714%0.13626%0.262CS..Hα-helixtrans-61-41.4175.7-69.9172.7000111.6L93 N94 I99 C100 E101 I109 F127 K152 L154L93-L97 HydrophobicContact CD1-CD1 4.43Å; L93-L97 HydrophobicContact CD1-CG 4.31Å; L93-L97 HydrophobicContact CG-CD1 4.02Å; L93-L97 HydrophobicContact CG-CG 4.36Å; L93-L97 WeakPolarHBondContact O-CG 3.14Å; L93-L97 PolarHBondContact O-N 2.89Å; N94-L97 PolarHBondContact O-N 3.26Å; L97-I99 VanDerWaalsContact C-N 3.29Å; L97-I99 PolarHBondContact O-N 3.47Å; L97-C100 WeakPolarHBondContact O-CB 3.46Å; L97-C100 PolarHBondContact O-N 3.21Å; L97-C100 VanDerWaalsContact O-N 3.15Å; L97-E101 PolarHBondContact O-N 2.82Å; L97-I109 HydrophobicContact CD2-CD1 4.21Å; L97-I109 HydrophobicContact CD2-CG2 4.03Å; L97-F127 HydrophobicContact CD1-CD1 4.23Å; L97-K152 HydrophobicContact CD2-CD 4.2Å; L97-L154 HydrophobicContact CD2-CD2 4.49Å
98N98.4Very high97.9Very high76 Ų7645.4 Ų45.441%0.40624%0.244SC..Hα-helixtrans-64.4-32.9176.9-68.4-10.4000112.3N94 H95 V96 K102N94-N98 WeakPolarHBondContact O-CB 3.4Å; N94-N98 PolarHBondContact O-N 3.09Å; N94-N98 PolarHBondContact O-ND2 3.37Å; N94-N98 PolarHBondContact O-OD1 3.25Å; H95-N98 PolarHBondContact O-N 2.79Å; V96-N98 VanDerWaalsContact C-N 3.32Å; V96-N98 PolarHBondContact O-N 3.13Å; N98-K102 WeakPolarHBondContact O-CB 3.5Å; N98-K102 VanDerWaalsContact O-CG 3.23Å; N98-K102 WeakPolarHBondContact O-CG 3.49Å; N98-K102 PolarHBondContact O-N 3.27Å
99I98.1Very high98Very high36 Ų3645.3 Ų45.319%0.18524%0.244CC..Hα-helixtrans-64.4-47.6172.4-67.7166.5000109.8E44 L45 H95 V96 L97 E101 K102 D103E44-I99 HydrophobicContact CB-CD1 3.75Å; E44-I99 VanDerWaalsContact O-CD1 3.31Å; E44-I99 WeakPolarHBondContact O-CD1 3.28Å; L45-I99 HydrophobicContact CD2-CD1 4.11Å; L45-I99 HydrophobicContact CD2-CG2 3.96Å; H95-I99 WeakPolarHBondContact NE2-CD1 3.43Å; H95-I99 WeakPolarHBondContact O-CG1 3.11Å; H95-I99 PolarHBondContact O-N 3.38Å; H95-I99 VanDerWaalsContact O-N 3.16Å; V96-I99 WeakPolarHBondContact O-CB 3.48Å; V96-I99 PolarHBondContact O-N 2.85Å; L97-I99 VanDerWaalsContact C-N 3.29Å; L97-I99 PolarHBondContact O-N 3.47Å; I99-E101 VanDerWaalsContact C-N 3.34Å; I99-E101 PolarHBondContact O-N 3.26Å; I99-K102 PolarHBondContact O-N 2.91Å; I99-D103 WeakPolarHBondContact O-CB 3.48Å; I99-D103 PolarHBondContact O-N 3.05Å
100C97.7Very high98Very high5 Ų545.4 Ų45.43%0.03424%0.239CC..Hα-helixtrans-60.1-43.8177.6-72.50000112.6L72 V96 L97 D103 G104 F106 L154L72-C100 WeakPolarHBondContact CD2-SG 3.2Å; V96-C100 PolarHBondContact O-N 2.95Å; V96-C100 VanDerWaalsContact O-N 3.13Å; L97-C100 WeakPolarHBondContact O-CB 3.46Å; L97-C100 PolarHBondContact O-N 3.21Å; L97-C100 VanDerWaalsContact O-N 3.15Å; C100-D103 PolarHBondContact O-N 3.26Å; C100-G104 PolarHBondContact O-N 3.32Å; C100-F106 HydrophobicContact CB-CD2 4.14Å; C100-L154 HydrophobicContact CB-CD1 3.67Å
101E96.6Very high98Very high150 Ų15043.1 Ų43.170%0.70123%0.225SC*.Hα-helixtrans-62.8-45178.5-175.7179.5-164.800111.6L97 I99 G104L97-E101 PolarHBondContact O-N 2.82Å; I99-E101 VanDerWaalsContact C-N 3.34Å; I99-E101 PolarHBondContact O-N 3.26Å; E101-G104 PolarHBondContact O-N 2.95Å
102K97.1Very high98Very high182 Ų18240.4 Ų40.479%0.79121%0.214SC*.Hα-helixtrans-68.2-36.8178.1-73.3175-179-1780113.5N98 I99N98-K102 WeakPolarHBondContact O-CB 3.5Å; N98-K102 VanDerWaalsContact O-CG 3.23Å; N98-K102 WeakPolarHBondContact O-CG 3.49Å; N98-K102 PolarHBondContact O-N 3.27Å; I99-K102 PolarHBondContact O-N 2.91Å
103D96.4Very high97.9Very high68 Ų6840.8 Ų40.836%0.36422%0.216SC..Hα-helixtrans-68.9-41.5175175.4-58.2000110.3K70 I99 C100 T105 F106K70-D103 IonicContact NZ-OD1 2.88Å; K70-D103 PolarHBondContact NZ-OD1 3.14Å; K70-D103 IonicContact NZ-OD2 3.14Å; K70-D103 PolarHBondContact NZ-OD2 3.02Å; I99-D103 WeakPolarHBondContact O-CB 3.48Å; I99-D103 PolarHBondContact O-N 3.05Å; C100-D103 PolarHBondContact O-N 3.26Å; D103-T105 PolarHBondContact O-N 3.13Å; D103-T105 VanDerWaalsContact O-N 3.08Å; D103-T105 VanDerWaalsContact OD1-CB 3.3Å; D103-T105 WeakPolarHBondContact OD1-CB 3.37Å; D103-T105 PolarHBondContact OD1-N 3.08Å; D103-T105 PolarHBondContact OD1-OG1 3.23Å; D103-F106 HydrophobicContact CB-CD2 4.06Å; D103-F106 HydrophobicContact CB-CE2 3.91Å
104G95.6Very high97.9Very high54 Ų5442.1 Ų42.156%0.55722%0.222SC*.  trans72-6.3174.200000115.4C100 E101C100-G104 PolarHBondContact O-N 3.32Å; E101-G104 PolarHBondContact O-N 2.95Å
105T96.4Very high97.9Very high63 Ų6341.7 Ų41.739%0.38722%0.219SC..  trans-99.9-9.9-176.371.40000114.3K70 D103 R155K70-T105 VanDerWaalsContact CD-OG1 3.3Å; K70-T105 WeakPolarHBondContact CD-OG1 3.43Å; K70-T105 WeakPolarHBondContact CE-OG1 3.46Å; K70-T105 PolarHBondContact NZ-OG1 2.8Å; D103-T105 PolarHBondContact O-N 3.13Å; D103-T105 VanDerWaalsContact O-N 3.08Å; D103-T105 VanDerWaalsContact OD1-CB 3.3Å; D103-T105 WeakPolarHBondContact OD1-CB 3.37Å; D103-T105 PolarHBondContact OD1-N 3.08Å; D103-T105 PolarHBondContact OD1-OG1 3.23Å; T105-R155 PolarHBondContact O-NH2 2.96Å
106F97.6Very high97.9Very high7 Ų742.8 Ų42.83%0.03123%0.231CC..  trans-70.1132.5177.8-71-83000112.1V63 K70 L72 C100 D103 L154V63-F106 HydrophobicContact CG1-CE1 4.13Å; V63-F106 HydrophobicContact CG2-CE1 4.07Å; V63-F106 HydrophobicContact CG2-CZ 3.95Å; K70-F106 HydrophobicContact CD-CD1 4.38Å; K70-F106 HydrophobicContact CD-CE1 4.39Å; K70-F106 HydrophobicContact CG-CD1 3.92Å; K70-F106 HydrophobicContact CG-CE1 4.05Å; K70-F106 CarbonylContact O-C 3.53Å; K70-F106 WeakPolarHBondContact O-CA 3.27Å; L72-F106 HydrophobicContact CB-CD1 3.86Å; L72-F106 HydrophobicContact CB-CE1 3.78Å; L72-F106 HydrophobicContact CB-CZ 4.45Å; L72-F106 HydrophobicContact CD1-CE1 3.76Å; L72-F106 HydrophobicContact CD1-CZ 3.82Å; L72-F106 HydrophobicContact CG-CE1 4.38Å; C100-F106 HydrophobicContact CB-CD2 4.14Å; D103-F106 HydrophobicContact CB-CD2 4.06Å; D103-F106 HydrophobicContact CB-CE2 3.91Å; F106-L154 HydrophobicContact CB-CD1 3.75Å
107D97.7Very high97.8Very high26 Ų2646.1 Ų46.114%0.13925%0.249CC..SBendtrans-75.2-42.3175.2-65.9-77.5000111.7Q69 K70 L154 R155Q69-D107 VanDerWaalsContact CA-OD2 3.27Å; Q69-D107 WeakPolarHBondContact CA-OD2 3.19Å; Q69-D107 HydrophobicContact CB-CB 4.01Å; Q69-D107 WeakPolarHBondContact CB-OD2 3.46Å; Q69-D107 HydrophobicContact CG-CB 4.11Å; K70-D107 PolarHBondContact N-OD2 3.27Å; K70-D107 PolarHBondContact O-N 2.98Å; D107-L154 PolarHBondContact O-N 2.99Å; D107-R155 PolarHBondContact O-N 3.28Å; D107-R155 VanDerWaalsContact OD1-CD 3.25Å; D107-R155 WeakPolarHBondContact OD1-CD 3.39Å; D107-R155 IonicContact OD1-CZ 2.85Å; D107-R155 IonicContact OD1-NE 3.71Å; D107-R155 PolarHBondContact OD1-NE 2.81Å; D107-R155 VanDerWaalsContact OD1-NE 3.14Å; D107-R155 IonicContact OD1-NH1 2.95Å; D107-R155 PolarHBondContact OD1-NH1 3.31Å; D107-R155 IonicContact OD1-NH2 3.24Å
108N98.2Very high97.8Very high2 Ų251.7 Ų51.71%0.01127%0.274CS..EExtended strand (participates in β ladder)trans-158.3165.7-179.459.879.6000111.9Q69 R71 L72 Q151 K152Q69-N108 PolarHBondContact OE1-ND2 2.95Å; R71-N108 WeakPolarHBondContact CA-O 3.45Å; R71-N108 WeakPolarHBondContact CG-OD1 3.41Å; R71-N108 PolarHBondContact NE-OD1 2.61Å; L72-N108 PolarHBondContact N-O 2.87Å; N108-Q151 HydrophobicContact CB-CG 3.8Å; N108-Q151 PolarHBondContact OD1-OE1 3.15Å; N108-K152 VanDerWaalsContact CA-O 3.31Å; N108-K152 WeakPolarHBondContact CA-O 3.04Å; N108-K152 VanDerWaalsContact CB-O 3.3Å; N108-K152 WeakPolarHBondContact CB-O 3.47Å
109I98.7Very high97.8Very high0 Ų051.5 Ų51.50%028%0.279CS..EExtended strand (participates in β ladder)trans-119.1138169.2-178.6171.8000108.8L72 I74 V96 L97 F129 Q151 K152 L154L72-I109 HydrophobicContact CB-CB 4.26Å; L72-I109 HydrophobicContact CB-CG1 4.09Å; L72-I109 HydrophobicContact CD2-CD1 3.84Å; L72-I109 HydrophobicContact CD2-CG1 4.29Å; L72-I109 CarbonylContact O-C 3.53Å; L72-I109 VanDerWaalsContact O-CA 3.28Å; L72-I109 WeakPolarHBondContact O-CA 3.35Å; L72-I109 WeakPolarHBondContact O-CG1 3.43Å; I74-I109 HydrophobicContact CD1-CD1 3.7Å; I74-I109 HydrophobicContact CD1-CG1 3.98Å; I74-I109 HydrophobicContact CG1-CD1 3.89Å; I74-I109 HydrophobicContact CG1-CG1 3.97Å; V96-I109 HydrophobicContact CG1-CD1 3.73Å; L97-I109 HydrophobicContact CD2-CD1 4.21Å; L97-I109 HydrophobicContact CD2-CG2 4.03Å; I109-F129 HydrophobicContact CB-CZ 4.44Å; I109-F129 HydrophobicContact CD1-CZ 4.28Å; I109-F129 HydrophobicContact CG1-CE1 4.34Å; I109-F129 HydrophobicContact CG1-CZ 4.14Å; I109-F129 HydrophobicContact CG2-CE1 3.91Å; I109-F129 HydrophobicContact CG2-CE2 4.45Å; I109-F129 HydrophobicContact CG2-CZ 3.59Å; I109-F129 WeakPolarHBondContact O-CE1 3.4Å; I109-Q151 WeakPolarHBondContact O-CA 3.3Å; I109-K152 HydrophobicContact CG2-CB 3.81Å; I109-K152 HydrophobicContact CG2-CD 4.49Å; I109-K152 HydrophobicContact CG2-CG 4.46Å; I109-K152 PolarHBondContact N-O 3.25Å; I109-K152 PolarHBondContact O-N 2.88Å; I109-L154 HydrophobicContact CB-CD1 4.18Å; I109-L154 HydrophobicContact CG2-CD1 4.21Å; I109-L154 HydrophobicContact CG2-CD2 4.15Å; I109-L154 HydrophobicContact CG2-CG 4.25Å
110Y98.8Very high97.8Very high17 Ų1750.7 Ų50.77%0.06728%0.278CS..EExtended strand (participates in β ladder)trans-149.1165.6-174.881.5-78.7000113.7D64 R71 L72 Y73 I74 V149 L150D64-Y110 HydrophobicContact CB-CE1 4.3Å; D64-Y110 PolarHBondContact OD2-OH 3.27Å; R71-Y110 HydrophobicContact CB-CD1 4.06Å; R71-Y110 HydrophobicContact CB-CE1 3.86Å; L72-Y110 PolarHBondContact O-N 2.97Å; Y73-Y110 HydrophobicContact CD2-CD1 4.19Å; Y73-Y110 AromaticContact CD2-CD2 3.68Å; Y73-Y110 HydrophobicContact CD2-CD2 3.68Å; Y73-Y110 AromaticContact CD2-CE1 3.82Å; Y73-Y110 HydrophobicContact CD2-CE1 3.82Å; Y73-Y110 AromaticContact CD2-CE2 3.24Å; Y73-Y110 HydrophobicContact CD2-CE2 3.24Å; Y73-Y110 HydrophobicContact CD2-CG 4.15Å; Y73-Y110 AromaticContact CD2-CZ 3.33Å; Y73-Y110 WeakPolarHBondContact CD2-O 3.49Å; Y73-Y110 HydrophobicContact CE2-CD2 4.01Å; Y73-Y110 AromaticContact CE2-CE2 3.57Å; Y73-Y110 HydrophobicContact CE2-CE2 3.57Å; Y73-Y110 HydrophobicContact CG-CE1 4.21Å; Y73-Y110 HydrophobicContact CG-CE2 4.23Å; Y73-Y110 AromaticContact CG-CZ 3.88Å; I74-Y110 PolarHBondContact N-O 2.92Å; Y110-V149 HydrophobicContact CD2-CG1 3.98Å; Y110-L150 CarbonylContact C-O 3.49Å; Y110-L150 WeakPolarHBondContact CA-O 3.27Å; Y110-L150 VanDerWaalsContact CB-O 3.32Å; Y110-L150 WeakPolarHBondContact CB-O 3.43Å
111L98.8Very high97.8Very high6 Ų651.2 Ų51.23%0.03128%0.28CS..EExtended strand (participates in β ladder)trans-155.7168177.865.5105.2000112.3I74 V113 Y124 F129 V149 L150I74-L111 HydrophobicContact CB-CB 4.11Å; I74-L111 HydrophobicContact CD1-CD2 4.02Å; L111-V113 HydrophobicContact CD1-CB 3.91Å; L111-Y124 HydrophobicContact CD1-CD2 4.08Å; L111-Y124 HydrophobicContact CD1-CE2 3.76Å; L111-Y124 HydrophobicContact CD2-CD1 3.61Å; L111-Y124 HydrophobicContact CD2-CD2 3.85Å; L111-Y124 HydrophobicContact CD2-CE1 3.27Å; L111-Y124 HydrophobicContact CD2-CE2 3.55Å; L111-Y124 HydrophobicContact CD2-CG 3.9Å; L111-Y124 HydrophobicContact CG-CE2 4.32Å; L111-F129 HydrophobicContact CD2-CD1 4.38Å; L111-F129 HydrophobicContact CD2-CE1 4.12Å; L111-V149 WeakPolarHBondContact O-CA 3.48Å; L111-L150 HydrophobicContact CD1-CB 4.45Å; L111-L150 HydrophobicContact CG-CB 4.21Å; L111-L150 PolarHBondContact N-O 2.78Å; L111-L150 PolarHBondContact O-N 2.77Å
112H98.7Very high97.9Very high28 Ų2848.1 Ų48.113%0.1327%0.269CS..EExtended strand (participates in β ladder)trans-105.9134.5167.6-6284.7000110Y73 K135 Y138 A147 H148Y73-H112 AromaticContact CE2-CE1 3.88Å; Y73-H112 AromaticContact CE2-ND1 3.37Å; Y73-H112 WeakPolarHBondContact CE2-ND1 3.45Å; Y73-H112 AromaticContact CZ-ND1 3.54Å; Y73-H112 PolarHBondContact OH-ND1 3.37Å; H112-K135 PolarHBondContact NE2-NZ 2.67Å; H112-Y138 HydrophobicContact CB-CE1 4.02Å; H112-Y138 HydrophobicContact CB-CE2 4.41Å; H112-Y138 AromaticContact CD2-CD2 3.84Å; H112-Y138 AromaticContact CD2-CE2 3.34Å; H112-Y138 WeakPolarHBondContact CD2-CE2 3.43Å; H112-Y138 AromaticContact CD2-CZ 3.7Å; H112-Y138 AromaticContact CE1-CE2 3.95Å; H112-Y138 AromaticContact CG-CE2 3.71Å; H112-Y138 AromaticContact CG-CZ 3.54Å; H112-Y138 AromaticContact ND1-CZ 3.85Å; H112-Y138 PolarHBondContact ND1-OH 2.88Å; H112-Y138 AromaticContact NE2-CE2 3.51Å; H112-A147 HydrophobicContact CB-CB 4.27Å; H112-H148 WeakPolarHBondContact CA-O 3.41Å
113V98.4Very high98Very high8 Ų841.6 Ų41.65%0.04824%0.24CC..EExtended strand (participates in β ladder)trans-130.6137.4175.368.20000109.3L111 I115 N117 A120 I121 A147 H148 L150L111-V113 HydrophobicContact CD1-CB 3.91Å; V113-I115 PolarHBondContact O-N 3.23Å; V113-N117 HydrophobicContact CG2-CB 3.9Å; V113-A120 HydrophobicContact CG2-CB 3.76Å; V113-I121 HydrophobicContact CG1-CD1 4.48Å; V113-I121 HydrophobicContact CG1-CG1 3.8Å; V113-I121 HydrophobicContact CG2-CG1 4.31Å; V113-A147 CarbonylContact O-C 3.59Å; V113-A147 WeakPolarHBondContact O-CA 3.4Å; V113-H148 HydrophobicContact CG1-CB 3.92Å; V113-H148 PolarHBondContact N-O 3.23Å; V113-H148 PolarHBondContact O-N 3.46Å; V113-L150 HydrophobicContact CG1-CD1 3.36Å; V113-L150 HydrophobicContact CG1-CD2 4.27Å; V113-L150 HydrophobicContact CG1-CG 4.41Å
114Q98.3Very high98.1Very high28 Ų2839 Ų3913%0.13123%0.225CC..EExtended strand (participates in β ladder)trans-60.5137.5174.6-165.4178.925.900110.4S116 N117 Y139 E143 P144Q114-S116 PolarHBondContact O-N 3.15Å; Q114-S116 VanDerWaalsContact O-N 3.1Å; Q114-N117 WeakPolarHBondContact O-CB 3.32Å; Q114-N117 PolarHBondContact O-N 3.45Å; Q114-Y139 HydrophobicContact CB-CD2 4.47Å; Q114-Y139 HydrophobicContact CB-CE2 3.74Å; Q114-Y139 HydrophobicContact CG-CD2 4.24Å; Q114-Y139 HydrophobicContact CG-CE2 3.99Å; Q114-Y139 PolarHBondContact N-OH 2.89Å; Q114-E143 PolarHBondContact NE2-O 2.95Å; Q114-P144 HydrophobicContact CG-CG 4.14Å; Q114-P144 WeakPolarHBondContact CG-O 3.47Å; Q114-P144 PolarHBondContact NE2-O 3.47Å
115I98.3Very high98.2Very high55 Ų5540.8 Ų40.828%0.28222%0.219SC..THydrogen-bonded Turntrans-60.2-25.8-173.662.3164.1000113.6V113 N117 T134 P144 D146V113-I115 PolarHBondContact O-N 3.23Å; I115-N117 VanDerWaalsContact C-N 3.32Å; I115-T134 HydrophobicContact CG2-CG2 4.15Å; I115-P144 HydrophobicContact CD1-CB 3.92Å; I115-P144 HydrophobicContact CD1-CG 4.15Å; I115-P144 HydrophobicContact CG1-CB 3.85Å; I115-P144 HydrophobicContact CG1-CG 3.6Å; I115-D146 HydrophobicContact CD1-CB 3.89Å; I115-D146 HydrophobicContact CG1-CB 4.12Å; I115-D146 HydrophobicContact CG2-CB 3.76Å; I115-D146 PolarHBondContact N-O 2.96Å
116S98Very high98.3Very high61 Ų6145.4 Ų45.443%0.42723%0.234SC..THydrogen-bonded Turntrans-82-5.4177.552.90000114.1Q114 E118 P144Q114-S116 PolarHBondContact O-N 3.15Å; Q114-S116 VanDerWaalsContact O-N 3.1Å; S116-E118 VanDerWaalsContact C-N 3.31Å; S116-E118 PolarHBondContact O-N 3.14Å; S116-E118 VanDerWaalsContact O-N 3.13Å; S116-P144 WeakPolarHBondContact OG-CD 3.26Å; S116-P144 WeakPolarHBondContact OG-CG 3.23Å
117N98Very high98.4Very high70 Ų7047.1 Ų47.137%0.37424%0.241SC..  trans-91.564.8-175.8-167.1-9.6000111.6V113 Q114 I115 S119 A120 I121V113-N117 HydrophobicContact CG2-CB 3.9Å; Q114-N117 WeakPolarHBondContact O-CB 3.32Å; Q114-N117 PolarHBondContact O-N 3.45Å; I115-N117 VanDerWaalsContact C-N 3.32Å; N117-S119 VanDerWaalsContact C-N 3.26Å; N117-S119 PolarHBondContact O-N 3.2Å; N117-A120 HydrophobicContact CB-CB 4.33Å; N117-A120 VanDerWaalsContact CG-CB 3.47Å; N117-A120 PolarHBondContact O-N 3.5Å; N117-A120 WeakPolarHBondContact OD1-CB 3.47Å; N117-A120 PolarHBondContact OD1-N 2.84Å; N117-I121 WeakPolarHBondContact O-CG1 3.41Å; N117-I121 PolarHBondContact O-N 2.89Å; N117-I121 VanDerWaalsContact O-N 3.08Å
118E98.1Very high98.4Very high143 Ų14347.6 Ų47.667%0.66825%0.252SS*.Hα-helixtrans-52.6-42.9-179.3-65.4176-172.600112S116 A120 I121 D122S116-E118 VanDerWaalsContact C-N 3.31Å; S116-E118 PolarHBondContact O-N 3.14Å; S116-E118 VanDerWaalsContact O-N 3.13Å; E118-A120 VanDerWaalsContact C-N 3.27Å; E118-A120 PolarHBondContact O-N 2.89Å; E118-I121 PolarHBondContact O-N 3.23Å; E118-I121 VanDerWaalsContact O-N 3.14Å; E118-D122 WeakPolarHBondContact O-CB 3.46Å; E118-D122 PolarHBondContact O-N 2.91Å
119S97.8Very high98.4Very high73 Ų7347.6 Ų47.651%0.5125%0.253SS..Hα-helixtrans-60.7-33.7179179.10000113.6N117 F123N117-S119 VanDerWaalsContact C-N 3.26Å; N117-S119 PolarHBondContact O-N 3.2Å; S119-F123 VanDerWaalsContact O-CB 3.32Å; S119-F123 WeakPolarHBondContact O-CB 3.37Å; S119-F123 PolarHBondContact O-N 3.36Å
120A97.9Very high98.4Very high19 Ų1954.1 Ų54.116%0.15728%0.283CS..Hα-helixtrans-78.6-39.2176.700000111V113 N117 E118 F123 Y124V113-A120 HydrophobicContact CG2-CB 3.76Å; N117-A120 HydrophobicContact CB-CB 4.33Å; N117-A120 VanDerWaalsContact CG-CB 3.47Å; N117-A120 PolarHBondContact O-N 3.5Å; N117-A120 WeakPolarHBondContact OD1-CB 3.47Å; N117-A120 PolarHBondContact OD1-N 2.84Å; E118-A120 VanDerWaalsContact C-N 3.27Å; E118-A120 PolarHBondContact O-N 2.89Å; A120-F123 WeakPolarHBondContact O-CB 3.42Å; A120-F123 PolarHBondContact O-N 3.37Å; A120-Y124 WeakPolarHBondContact O-CD2 3.42Å; A120-Y124 PolarHBondContact O-N 3.38Å
121I98.7Very high98.4Very high16 Ų1656.6 Ų56.68%0.08230%0.297CS..Hα-helixtrans-58.1-52.9175.7-65.2163.7000109.8V113 N117 E118 F123 Y124 Q125 I131V113-I121 HydrophobicContact CG1-CD1 4.48Å; V113-I121 HydrophobicContact CG1-CG1 3.8Å; V113-I121 HydrophobicContact CG2-CG1 4.31Å; N117-I121 WeakPolarHBondContact O-CG1 3.41Å; N117-I121 PolarHBondContact O-N 2.89Å; N117-I121 VanDerWaalsContact O-N 3.08Å; E118-I121 PolarHBondContact O-N 3.23Å; E118-I121 VanDerWaalsContact O-N 3.14Å; I121-F123 VanDerWaalsContact C-N 3.27Å; I121-F123 PolarHBondContact O-N 3.23Å; I121-Y124 PolarHBondContact O-N 3.06Å; I121-Q125 HydrophobicContact CG2-CG 4.4Å; I121-Q125 WeakPolarHBondContact O-CB 3.41Å; I121-Q125 WeakPolarHBondContact O-CG 3.42Å; I121-Q125 PolarHBondContact O-N 3.44Å; I121-I131 HydrophobicContact CG2-CD1 4.25Å
122D98.5Very high98.4Very high85 Ų8560.3 Ų60.346%0.45532%0.316SS..Hα-helixtrans-58.7-38.4176.5-72-8.2000112.5E118 K126E118-D122 WeakPolarHBondContact O-CB 3.46Å; E118-D122 PolarHBondContact O-N 2.91Å; D122-K126 WeakPolarHBondContact O-CG 3.34Å; D122-K126 PolarHBondContact O-N 3.36Å
123F98.7Very high98.4Very high45 Ų4563.2 Ų63.220%0.19733%0.329CS..Hα-helixtrans-61.5-52.7177168.2-99.8000110.3L77 L93 S119 A120 I121 K126 F127L77-F123 HydrophobicContact CD2-CE1 4.29Å; L93-F123 HydrophobicContact CB-CE1 4.5Å; L93-F123 HydrophobicContact CB-CZ 4.15Å; L93-F123 HydrophobicContact CD2-CE1 3.75Å; L93-F123 HydrophobicContact CD2-CZ 3.85Å; S119-F123 VanDerWaalsContact O-CB 3.32Å; S119-F123 WeakPolarHBondContact O-CB 3.37Å; S119-F123 PolarHBondContact O-N 3.36Å; A120-F123 WeakPolarHBondContact O-CB 3.42Å; A120-F123 PolarHBondContact O-N 3.37Å; I121-F123 VanDerWaalsContact C-N 3.27Å; I121-F123 PolarHBondContact O-N 3.23Å; F123-K126 PolarHBondContact O-N 3.07Å; F123-F127 HydrophobicContact CD2-CE2 4.01Å; F123-F127 HydrophobicContact CE1-CE2 4.48Å; F123-F127 HydrophobicContact CE2-CD2 4.36Å; F123-F127 AromaticContact CE2-CE2 3.5Å; F123-F127 HydrophobicContact CE2-CE2 3.5Å; F123-F127 HydrophobicContact CE2-CZ 4.14Å; F123-F127 HydrophobicContact CZ-CD2 4.35Å; F123-F127 AromaticContact CZ-CE2 3.77Å; F123-F127 HydrophobicContact CZ-CE2 3.77Å; F123-F127 HydrophobicContact CZ-CZ 4.33Å; F123-F127 VanDerWaalsContact O-CD2 3.22Å; F123-F127 WeakPolarHBondContact O-CD2 3.48Å
124Y98.8Very high98.4Very high13 Ų1365.7 Ų65.75%0.05135%0.345CS..Hα-helixtrans-69.2-36.3-177.5-76-66.2000113I74 L77 L93 L111 A120 I121 K126 F127 G128 F129 L150I74-Y124 HydrophobicContact CD1-CE1 4.26Å; L77-Y124 WeakPolarHBondContact CB-OH 3.49Å; L93-Y124 HydrophobicContact CD1-CE1 4.22Å; L93-Y124 HydrophobicContact CD2-CD1 4.03Å; L93-Y124 HydrophobicContact CD2-CE1 4.09Å; L111-Y124 HydrophobicContact CD1-CD2 4.08Å; L111-Y124 HydrophobicContact CD1-CE2 3.76Å; L111-Y124 HydrophobicContact CD2-CD1 3.61Å; L111-Y124 HydrophobicContact CD2-CD2 3.85Å; L111-Y124 HydrophobicContact CD2-CE1 3.27Å; L111-Y124 HydrophobicContact CD2-CE2 3.55Å; L111-Y124 HydrophobicContact CD2-CG 3.9Å; L111-Y124 HydrophobicContact CG-CE2 4.32Å; A120-Y124 WeakPolarHBondContact O-CD2 3.42Å; A120-Y124 PolarHBondContact O-N 3.38Å; I121-Y124 PolarHBondContact O-N 3.06Å; Y124-K126 PolarHBondContact O-N 2.98Å; Y124-F127 WeakPolarHBondContact O-CA 3.19Å; Y124-F127 PolarHBondContact O-N 3.42Å; Y124-G128 PolarHBondContact O-N 3.3Å; Y124-F129 HydrophobicContact CD1-CD2 4.07Å; Y124-F129 HydrophobicContact CD1-CE2 4.1Å; Y124-F129 HydrophobicContact CD1-CG 4.3Å; Y124-F129 HydrophobicContact CD1-CZ 4.34Å; Y124-F129 WeakPolarHBondContact O-CB 3.42Å; Y124-F129 WeakPolarHBondContact O-CD2 3.14Å; Y124-F129 PolarHBondContact O-N 3.33Å; Y124-L150 HydrophobicContact CD2-CD2 4.27Å; Y124-L150 HydrophobicContact CG-CD2 4.29Å
125Q98.6Very high98.4Very high92 Ų9267.6 Ų67.643%0.4335%0.352SS..Hα-helixtrans-59-35.3175.7-76.6178-17.100112.6I121 F127 G128 F129I121-Q125 HydrophobicContact CG2-CG 4.4Å; I121-Q125 WeakPolarHBondContact O-CB 3.41Å; I121-Q125 WeakPolarHBondContact O-CG 3.42Å; I121-Q125 PolarHBondContact O-N 3.44Å; Q125-F127 PolarHBondContact O-N 3.48Å; Q125-G128 PolarHBondContact O-N 2.98Å; Q125-F129 WeakPolarHBondContact CA-O 3.48Å
126K98.4Very high98.3Very high160 Ų16072 Ų7270%0.69637%0.369SS*.THydrogen-bonded Turntrans-62.8-20.3173.5-71.4169.7-173.7178.80114.1D122 F123 Y124D122-K126 WeakPolarHBondContact O-CG 3.34Å; D122-K126 PolarHBondContact O-N 3.36Å; F123-K126 PolarHBondContact O-N 3.07Å; Y124-K126 PolarHBondContact O-N 2.98Å
127F98.4Very high98.3Very high42 Ų4274 Ų7418%0.18438%0.376CS..THydrogen-bonded Turntrans-96.89.3173.8-67.4-96000112.3T90 L93 N94 L97 F123 Y124 Q125 F129 K152T90-F127 HydrophobicContact CG2-CE1 4.16Å; T90-F127 HydrophobicContact CG2-CZ 3.75Å; L93-F127 HydrophobicContact CD2-CB 3.87Å; L93-F127 HydrophobicContact CD2-CD1 3.75Å; L93-F127 HydrophobicContact CD2-CD2 3.53Å; L93-F127 HydrophobicContact CD2-CE1 4.16Å; L93-F127 HydrophobicContact CD2-CE2 3.98Å; L93-F127 HydrophobicContact CD2-CG 3.42Å; L93-F127 VanDerWaalsContact CD2-CG 3.42Å; L93-F127 HydrophobicContact CD2-CZ 4.28Å; L93-F127 HydrophobicContact CG-CD1 4.33Å; L93-F127 HydrophobicContact CG-CG 4.43Å; N94-F127 WeakPolarHBondContact OD1-CE1 3.47Å; L97-F127 HydrophobicContact CD1-CD1 4.23Å; F123-F127 HydrophobicContact CD2-CE2 4.01Å; F123-F127 HydrophobicContact CE1-CE2 4.48Å; F123-F127 HydrophobicContact CE2-CD2 4.36Å; F123-F127 AromaticContact CE2-CE2 3.5Å; F123-F127 HydrophobicContact CE2-CE2 3.5Å; F123-F127 HydrophobicContact CE2-CZ 4.14Å; F123-F127 HydrophobicContact CZ-CD2 4.35Å; F123-F127 AromaticContact CZ-CE2 3.77Å; F123-F127 HydrophobicContact CZ-CE2 3.77Å; F123-F127 HydrophobicContact CZ-CZ 4.33Å; F123-F127 VanDerWaalsContact O-CD2 3.22Å; F123-F127 WeakPolarHBondContact O-CD2 3.48Å; Y124-F127 WeakPolarHBondContact O-CA 3.19Å; Y124-F127 PolarHBondContact O-N 3.42Å; Q125-F127 PolarHBondContact O-N 3.48Å; F127-F129 HydrophobicContact CB-CD2 4.09Å; F127-F129 HydrophobicContact CB-CE2 4.26Å; F127-K152 WeakPolarHBondContact O-CD 3.25Å; F127-K152 WeakPolarHBondContact O-CE 3.42Å; F127-K152 PolarHBondContact O-NZ 3.32Å
128G98.3Very high98.3Very high36 Ų3674.7 Ų74.737%0.37137%0.373SS..THydrogen-bonded Turntrans73.532.1-179.600000113.3Y124 Q125 K152Y124-G128 PolarHBondContact O-N 3.3Å; Q125-G128 PolarHBondContact O-N 2.98Å; G128-K152 WeakPolarHBondContact O-CG 3.26Å
129F98.8Very high98.2Very high3 Ų369.7 Ų69.71%0.01335%0.349CS..  trans-84142.2161.5-74.1-109.2000109.5I74 L93 I109 L111 Y124 Q125 F127 L150 Q151 K152I74-F129 HydrophobicContact CD1-CZ 4.33Å; L93-F129 HydrophobicContact CD1-CE2 4.27Å; L93-F129 HydrophobicContact CD1-CZ 4.31Å; L93-F129 HydrophobicContact CD2-CE2 4.33Å; I109-F129 HydrophobicContact CB-CZ 4.44Å; I109-F129 HydrophobicContact CD1-CZ 4.28Å; I109-F129 HydrophobicContact CG1-CE1 4.34Å; I109-F129 HydrophobicContact CG1-CZ 4.14Å; I109-F129 HydrophobicContact CG2-CE1 3.91Å; I109-F129 HydrophobicContact CG2-CE2 4.45Å; I109-F129 HydrophobicContact CG2-CZ 3.59Å; I109-F129 WeakPolarHBondContact O-CE1 3.4Å; L111-F129 HydrophobicContact CD2-CD1 4.38Å; L111-F129 HydrophobicContact CD2-CE1 4.12Å; Y124-F129 HydrophobicContact CD1-CD2 4.07Å; Y124-F129 HydrophobicContact CD1-CE2 4.1Å; Y124-F129 HydrophobicContact CD1-CG 4.3Å; Y124-F129 HydrophobicContact CD1-CZ 4.34Å; Y124-F129 WeakPolarHBondContact O-CB 3.42Å; Y124-F129 WeakPolarHBondContact O-CD2 3.14Å; Y124-F129 PolarHBondContact O-N 3.33Å; Q125-F129 WeakPolarHBondContact CA-O 3.48Å; F127-F129 HydrophobicContact CB-CD2 4.09Å; F127-F129 HydrophobicContact CB-CE2 4.26Å; F129-L150 HydrophobicContact CB-CB 4.27Å; F129-L150 HydrophobicContact CD1-CB 4.26Å; F129-Q151 CarbonylContact C-O 3.44Å; F129-Q151 WeakPolarHBondContact CA-O 3.48Å; F129-K152 HydrophobicContact CD1-CB 3.95Å; F129-K152 HydrophobicContact CD2-CB 3.88Å; F129-K152 HydrophobicContact CD2-CD 4.37Å; F129-K152 HydrophobicContact CE1-CB 4.03Å; F129-K152 HydrophobicContact CE2-CB 3.95Å; F129-K152 HydrophobicContact CE2-CD 4.16Å; F129-K152 HydrophobicContact CG-CB 3.88Å; F129-K152 HydrophobicContact CZ-CB 4.03Å
130E98.6Very high98Very high137 Ų13774.4 Ų74.464%0.6436%0.36SS*.EExtended strand (participates in β ladder)trans-120.8150178.9-63.8175.9177.100109.9I132 L150 Q151E130-I132 PolarHBondContact O-N 3.04Å; E130-L150 CarbonylContact O-C 3.56Å; E130-L150 VanDerWaalsContact O-CA 3.26Å; E130-L150 WeakPolarHBondContact O-CA 3.4Å; E130-Q151 PolarHBondContact N-O 3.34Å; E130-Q151 PolarHBondContact O-N 3.2Å
131I98.6Very high97.8Very high68 Ų6883.6 Ų83.635%0.34939%0.391SS..EExtended strand (participates in β ladder)trans-77.2112.8172.5-60.1171.4000107.4I121 H148 L150I121-I131 HydrophobicContact CG2-CD1 4.25Å; I131-H148 HydrophobicContact CG1-CB 4.43Å; I131-H148 HydrophobicContact CG2-CB 4.05Å; I131-L150 HydrophobicContact CG1-CD1 3.81Å; I131-L150 HydrophobicContact CG1-CG 4.11Å
132I98.2Very high97.6Very high85 Ų8584.6 Ų84.644%0.43640%0.396SS..EExtended strand (participates in β ladder)trans-101.5-22-178.660.1158.3000113.2E130 V149 Q151E130-I132 PolarHBondContact O-N 3.04Å; I132-V149 HydrophobicContact CD1-CG1 4Å; I132-V149 HydrophobicContact CG1-CB 4.04Å; I132-V149 HydrophobicContact CG1-CG1 3.95Å; I132-V149 WeakPolarHBondContact CG1-O 3.49Å; I132-V149 PolarHBondContact N-O 2.83Å; I132-Q151 HydrophobicContact CD1-CB 3.78Å; I132-Q151 HydrophobicContact CD1-CG 4.41Å; I132-Q151 HydrophobicContact CG1-CB 4.03Å; I132-Q151 HydrophobicContact CG2-CB 3.98Å
133E98.1Very high97.4Very high89 Ų8988 Ų8842%0.41641%0.409SS..EExtended strand (participates in β ladder)trans-156.1153-175.5-169.1-169.6174.200109.3K135 H148 V149E133-K135 HydrophobicContact CG-CG 4.46Å; E133-K135 WeakPolarHBondContact OE1-CE 3.37Å; E133-K135 WeakPolarHBondContact OE2-CE 3.43Å; E133-H148 WeakPolarHBondContact O-CA 3.43Å; E133-V149 HydrophobicContact CB-CB 4.01Å; E133-V149 HydrophobicContact CB-CG2 3.93Å; E133-V149 HydrophobicContact CG-CG2 4.49Å; E133-V149 PolarHBondContact O-N 2.83Å
134T98.6Very high97.3Very high60 Ų6087.8 Ų87.837%0.36841%0.412SS..EExtended strand (participates in β ladder)trans-121.9116165.8-56.20000109.6I115 A147 H148I115-T134 HydrophobicContact CG2-CG2 4.15Å; T134-A147 CarbonylContact C-O 3.52Å; T134-H148 PolarHBondContact OG1-CE1 3.31Å; T134-H148 VanDerWaalsContact OG1-CE1 3.31Å; T134-H148 PolarHBondContact OG1-ND1 2.91Å
135K98.2Very high97.2Very high68 Ų6887.4 Ų87.430%0.29641%0.412SS..EExtended strand (participates in β ladder)trans-89.2115.7178.3-69.2-172.1178.61720110.4H112 E133 Y138 D146 A147 V149H112-K135 PolarHBondContact NE2-NZ 2.67Å; E133-K135 HydrophobicContact CG-CG 4.46Å; E133-K135 WeakPolarHBondContact OE1-CE 3.37Å; E133-K135 WeakPolarHBondContact OE2-CE 3.43Å; K135-Y138 HydrophobicContact CB-CD2 4.21Å; K135-Y138 HydrophobicContact CD-CD2 4.04Å; K135-Y138 HydrophobicContact CD-CE2 4.45Å; K135-D146 WeakPolarHBondContact O-CA 3.21Å; K135-A147 PolarHBondContact N-O 3.34Å; K135-A147 PolarHBondContact O-N 2.8Å; K135-V149 HydrophobicContact CD-CG2 4.12Å; K135-V149 HydrophobicContact CG-CG2 4.12Å
136K98.1Very high97.2Very high147 Ų14784.1 Ų84.164%0.63940%0.397SS*.THydrogen-bonded Turntrans-69.6140.6174.3-63.6-59.4-173.6175.10111.4Y138 D146K136-Y138 PolarHBondContact O-N 2.96Å; K136-D146 VanDerWaalsContact CA-OD1 3.26Å; K136-D146 WeakPolarHBondContact CA-OD1 3.34Å; K136-D146 VanDerWaalsContact CD-CG 3.48Å; K136-D146 WeakPolarHBondContact CD-OD1 3.18Å; K136-D146 WeakPolarHBondContact CD-OD2 3.48Å; K136-D146 WeakPolarHBondContact CE-OD2 3.26Å; K136-D146 IonicContact NZ-OD2 2.7Å; K136-D146 PolarHBondContact NZ-OD2 2.95Å
137N97Very high97.2Very high104 Ų10476.5 Ų76.556%0.55636%0.364SS*.THydrogen-bonded Turntrans53.137.2175.7-58.3-53.7000113.9K140 D146N137-K140 PolarHBondContact O-NZ 3.2Å; N137-D146 PolarHBondContact N-OD1 3.49Å
138Y97.4Very high97.2Very high83 Ų8376.1 Ų76.133%0.32536%0.363SS..  trans-67.8-50.5-179.5-179.8-91.6000111.1Y73 H112 K135 K136 A145 A147Y73-Y138 PolarHBondContact OH-OH 3.37Å; H112-Y138 HydrophobicContact CB-CE1 4.02Å; H112-Y138 HydrophobicContact CB-CE2 4.41Å; H112-Y138 AromaticContact CD2-CD2 3.84Å; H112-Y138 AromaticContact CD2-CE2 3.34Å; H112-Y138 WeakPolarHBondContact CD2-CE2 3.43Å; H112-Y138 AromaticContact CD2-CZ 3.7Å; H112-Y138 AromaticContact CE1-CE2 3.95Å; H112-Y138 AromaticContact CG-CE2 3.71Å; H112-Y138 AromaticContact CG-CZ 3.54Å; H112-Y138 AromaticContact ND1-CZ 3.85Å; H112-Y138 PolarHBondContact ND1-OH 2.88Å; H112-Y138 AromaticContact NE2-CE2 3.51Å; K135-Y138 HydrophobicContact CB-CD2 4.21Å; K135-Y138 HydrophobicContact CD-CD2 4.04Å; K135-Y138 HydrophobicContact CD-CE2 4.45Å; K136-Y138 PolarHBondContact O-N 2.96Å; Y138-A145 PolarHBondContact N-O 2.84Å; Y138-A147 HydrophobicContact CD1-CB 3.67Å; Y138-A147 HydrophobicContact CD2-CB 4.41Å; Y138-A147 HydrophobicContact CE1-CB 4.42Å; Y138-A147 HydrophobicContact CG-CB 3.66Å
139Y96Very high97.3Very high38 Ų3874.6 Ų74.615%0.14935%0.346CS..  trans-86.5126.4176.3-57.8-73.4000110.6V29 Q114 I142 A145 A147V29-Y139 HydrophobicContact CG1-CD1 3.89Å; V29-Y139 HydrophobicContact CG1-CE1 4.27Å; Q114-Y139 HydrophobicContact CB-CD2 4.47Å; Q114-Y139 HydrophobicContact CB-CE2 3.74Å; Q114-Y139 HydrophobicContact CG-CD2 4.24Å; Q114-Y139 HydrophobicContact CG-CE2 3.99Å; Q114-Y139 PolarHBondContact N-OH 2.89Å; Y139-I142 VanDerWaalsContact CB-CG1 3.47Å; Y139-I142 HydrophobicContact CD1-CD1 4.02Å; Y139-I142 HydrophobicContact CD1-CG1 4.41Å; Y139-I142 HydrophobicContact CD2-CD1 4.26Å; Y139-I142 HydrophobicContact CD2-CG1 4.47Å; Y139-I142 HydrophobicContact CG-CD1 3.83Å; Y139-I142 HydrophobicContact CG-CG1 3.9Å; Y139-A145 PolarHBondContact N-O 3.31Å; Y139-A145 WeakPolarHBondContact O-CB 3.42Å; Y139-A147 HydrophobicContact CD2-CB 4.36Å; Y139-A147 HydrophobicContact CE2-CB 3.67Å
140K93.8Very high97.3Very high172 Ų17274.4 Ų74.475%0.74835%0.345SS*.SBendtrans-87.9-11.5-173.4-58.3-55.1-175.5-168.50115.2N137N137-K140 PolarHBondContact O-NZ 3.2Å
141R93.9Very high97.3Very high213 Ų21369.4 Ų69.480%0.80432%0.322SS*.SBendtrans-135.65.9-166.8-65.1-169.4-70.5-129-1114.2
142I94.7Very high97.3Very high36 Ų3668.9 Ų68.919%0.18532%0.317CS..SBendtrans-141.4151.1-178.460.2171.5000109.7P28 V29 Y139 A145P28-I142 HydrophobicContact CB-CD1 3.9Å; P28-I142 HydrophobicContact CB-CG2 4.34Å; P28-I142 HydrophobicContact CG-CD1 3.61Å; V29-I142 HydrophobicContact CG1-CD1 4.09Å; Y139-I142 VanDerWaalsContact CB-CG1 3.47Å; Y139-I142 HydrophobicContact CD1-CD1 4.02Å; Y139-I142 HydrophobicContact CD1-CG1 4.41Å; Y139-I142 HydrophobicContact CD2-CD1 4.26Å; Y139-I142 HydrophobicContact CD2-CG1 4.47Å; Y139-I142 HydrophobicContact CG-CD1 3.83Å; Y139-I142 HydrophobicContact CG-CG1 3.9Å; I142-A145 WeakPolarHBondContact O-CA 3.34Å
143E94.4Very high97.2Very high156 Ų15668.7 Ų68.773%0.72932%0.323SS*.SBendtrans-114.6144.2176.3-69.5-60.1155.600111.1Q114 A145Q114-E143 PolarHBondContact NE2-O 2.95Å; E143-A145 PolarHBondContact OE2-N 3.1Å
144P96.6Very high97Very high42 Ų4267.3 Ų67.327%0.27332%0.318SS..SBendcis-65.2138.9-8.427.5-34.1000112.1Q114 I115 S116 D146Q114-P144 HydrophobicContact CG-CG 4.14Å; Q114-P144 WeakPolarHBondContact CG-O 3.47Å; Q114-P144 PolarHBondContact NE2-O 3.47Å; I115-P144 HydrophobicContact CD1-CB 3.92Å; I115-P144 HydrophobicContact CD1-CG 4.15Å; I115-P144 HydrophobicContact CG1-CB 3.85Å; I115-P144 HydrophobicContact CG1-CG 3.6Å; S116-P144 WeakPolarHBondContact OG-CD 3.26Å; S116-P144 WeakPolarHBondContact OG-CG 3.23Å; P144-D146 PolarHBondContact O-N 3.23Å
145A97.2Very high96.3Very high5 Ų570.6 Ų70.64%0.04132%0.324CS..  trans-71.5-15-17600000114.3Y138 Y139 I142 E143Y138-A145 PolarHBondContact N-O 2.84Å; Y139-A145 PolarHBondContact N-O 3.31Å; Y139-A145 WeakPolarHBondContact O-CB 3.42Å; I142-A145 WeakPolarHBondContact O-CA 3.34Å; E143-A145 PolarHBondContact OE2-N 3.1Å
146D98.4Very high94.4Very high22 Ų2272.5 Ų72.512%0.11835%0.346CS..  trans-78.6150.4-175.4-66.4-7.2000112.6I115 K135 K136 N137 P144I115-D146 HydrophobicContact CD1-CB 3.89Å; I115-D146 HydrophobicContact CG1-CB 4.12Å; I115-D146 HydrophobicContact CG2-CB 3.76Å; I115-D146 PolarHBondContact N-O 2.96Å; K135-D146 WeakPolarHBondContact O-CA 3.21Å; K136-D146 VanDerWaalsContact CA-OD1 3.26Å; K136-D146 WeakPolarHBondContact CA-OD1 3.34Å; K136-D146 VanDerWaalsContact CD-CG 3.48Å; K136-D146 WeakPolarHBondContact CD-OD1 3.18Å; K136-D146 WeakPolarHBondContact CD-OD2 3.48Å; K136-D146 WeakPolarHBondContact CE-OD2 3.26Å; K136-D146 IonicContact NZ-OD2 2.7Å; K136-D146 PolarHBondContact NZ-OD2 2.95Å; N137-D146 PolarHBondContact N-OD1 3.49Å; P144-D146 PolarHBondContact O-N 3.23Å
147A98.6Very high92.2Very high0 Ų071.3 Ų71.30%035%0.353CS..EExtended strand (participates in β ladder)trans-131.6134.6174.100000111.8H112 V113 T134 K135 Y138 Y139H112-A147 HydrophobicContact CB-CB 4.27Å; V113-A147 CarbonylContact O-C 3.59Å; V113-A147 WeakPolarHBondContact O-CA 3.4Å; T134-A147 CarbonylContact C-O 3.52Å; K135-A147 PolarHBondContact N-O 3.34Å; K135-A147 PolarHBondContact O-N 2.8Å; Y138-A147 HydrophobicContact CD1-CB 3.67Å; Y138-A147 HydrophobicContact CD2-CB 4.41Å; Y138-A147 HydrophobicContact CE1-CB 4.42Å; Y138-A147 HydrophobicContact CG-CB 3.66Å; Y139-A147 HydrophobicContact CD2-CB 4.36Å; Y139-A147 HydrophobicContact CE2-CB 3.67Å
148H98.8Very high89.5Confident34 Ų3472.2 Ų72.216%0.15737%0.366CS..EExtended strand (participates in β ladder)trans-76142163.9-65.8-47.9000110.3H112 V113 I131 E133 T134 L150H112-H148 WeakPolarHBondContact CA-O 3.41Å; V113-H148 HydrophobicContact CG1-CB 3.92Å; V113-H148 PolarHBondContact N-O 3.23Å; V113-H148 PolarHBondContact O-N 3.46Å; I131-H148 HydrophobicContact CG1-CB 4.43Å; I131-H148 HydrophobicContact CG2-CB 4.05Å; E133-H148 WeakPolarHBondContact O-CA 3.43Å; T134-H148 PolarHBondContact OG1-CE1 3.31Å; T134-H148 VanDerWaalsContact OG1-CE1 3.31Å; T134-H148 PolarHBondContact OG1-ND1 2.91Å; H148-L150 HydrophobicContact CB-CD1 3.5Å
149V98.7Very high86.9Confident4 Ų472 Ų722%0.02438%0.381CS..EExtended strand (participates in β ladder)trans-93.6113.8164.3-171.80000107.2Y110 L111 I132 E133 K135Y110-V149 HydrophobicContact CD2-CG1 3.98Å; L111-V149 WeakPolarHBondContact O-CA 3.48Å; I132-V149 HydrophobicContact CD1-CG1 4Å; I132-V149 HydrophobicContact CG1-CB 4.04Å; I132-V149 HydrophobicContact CG1-CG1 3.95Å; I132-V149 WeakPolarHBondContact CG1-O 3.49Å; I132-V149 PolarHBondContact N-O 2.83Å; E133-V149 HydrophobicContact CB-CB 4.01Å; E133-V149 HydrophobicContact CB-CG2 3.93Å; E133-V149 HydrophobicContact CG-CG2 4.49Å; E133-V149 PolarHBondContact O-N 2.83Å; K135-V149 HydrophobicContact CD-CG2 4.12Å; K135-V149 HydrophobicContact CG-CG2 4.12Å
150L98.8Very high84.3Confident0 Ų075.5 Ų75.50%041%0.409CS..EExtended strand (participates in β ladder)trans-99.5133.1174.5-84.365.1000108.7Y110 L111 V113 Y124 F129 E130 I131 H148Y110-L150 CarbonylContact C-O 3.49Å; Y110-L150 WeakPolarHBondContact CA-O 3.27Å; Y110-L150 VanDerWaalsContact CB-O 3.32Å; Y110-L150 WeakPolarHBondContact CB-O 3.43Å; L111-L150 HydrophobicContact CD1-CB 4.45Å; L111-L150 HydrophobicContact CG-CB 4.21Å; L111-L150 PolarHBondContact N-O 2.78Å; L111-L150 PolarHBondContact O-N 2.77Å; V113-L150 HydrophobicContact CG1-CD1 3.36Å; V113-L150 HydrophobicContact CG1-CD2 4.27Å; V113-L150 HydrophobicContact CG1-CG 4.41Å; Y124-L150 HydrophobicContact CD2-CD2 4.27Å; Y124-L150 HydrophobicContact CG-CD2 4.29Å; F129-L150 HydrophobicContact CB-CB 4.27Å; F129-L150 HydrophobicContact CD1-CB 4.26Å; E130-L150 CarbonylContact O-C 3.56Å; E130-L150 VanDerWaalsContact O-CA 3.26Å; E130-L150 WeakPolarHBondContact O-CA 3.4Å; I131-L150 HydrophobicContact CG1-CD1 3.81Å; I131-L150 HydrophobicContact CG1-CG 4.11Å; H148-L150 HydrophobicContact CB-CD1 3.5Å
151Q98.7Very high82Confident31 Ų3173.3 Ų73.315%0.14541%0.412CS..EExtended strand (participates in β ladder)trans-136.1141.9-178.4-177.1175-74.300111.3N108 I109 F129 E130 I132N108-Q151 HydrophobicContact CB-CG 3.8Å; N108-Q151 PolarHBondContact OD1-OE1 3.15Å; I109-Q151 WeakPolarHBondContact O-CA 3.3Å; F129-Q151 CarbonylContact C-O 3.44Å; F129-Q151 WeakPolarHBondContact CA-O 3.48Å; E130-Q151 PolarHBondContact N-O 3.34Å; E130-Q151 PolarHBondContact O-N 3.2Å; I132-Q151 HydrophobicContact CD1-CB 3.78Å; I132-Q151 HydrophobicContact CD1-CG 4.41Å; I132-Q151 HydrophobicContact CG1-CB 4.03Å; I132-Q151 HydrophobicContact CG2-CB 3.98Å
152K98.4Very high79.7Confident57 Ų5766.4 Ų66.425%0.24841%0.407CS..EExtended strand (participates in β ladder)trans-117.5120165177.2-178-172.569.50108.9L97 N108 I109 F127 G128 F129 L154L97-K152 HydrophobicContact CD2-CD 4.2Å; N108-K152 VanDerWaalsContact CA-O 3.31Å; N108-K152 WeakPolarHBondContact CA-O 3.04Å; N108-K152 VanDerWaalsContact CB-O 3.3Å; N108-K152 WeakPolarHBondContact CB-O 3.47Å; I109-K152 HydrophobicContact CG2-CB 3.81Å; I109-K152 HydrophobicContact CG2-CD 4.49Å; I109-K152 HydrophobicContact CG2-CG 4.46Å; I109-K152 PolarHBondContact N-O 3.25Å; I109-K152 PolarHBondContact O-N 2.88Å; F127-K152 WeakPolarHBondContact O-CD 3.25Å; F127-K152 WeakPolarHBondContact O-CE 3.42Å; F127-K152 PolarHBondContact O-NZ 3.32Å; G128-K152 WeakPolarHBondContact O-CG 3.26Å; F129-K152 HydrophobicContact CD1-CB 3.95Å; F129-K152 HydrophobicContact CD2-CB 3.88Å; F129-K152 HydrophobicContact CD2-CD 4.37Å; F129-K152 HydrophobicContact CE1-CB 4.03Å; F129-K152 HydrophobicContact CE2-CB 3.95Å; F129-K152 HydrophobicContact CE2-CD 4.16Å; F129-K152 HydrophobicContact CG-CB 3.88Å; F129-K152 HydrophobicContact CZ-CB 4.03Å; K152-L154 HydrophobicContact CD-CD2 4.47Å
153S97.1Very high77.2Confident81 Ų8173.7 Ų73.757%0.56644%0.441SS*.EExtended strand (participates in β ladder)trans-68134.9171.2-61.60000110.1
154L94.7Very high74.6Confident60 Ų6075.2 Ų75.231%0.31445%0.448SS..  trans-108.7-23.2-178.8-64.1173.8000112.1L97 C100 F106 D107 I109 K152L97-L154 HydrophobicContact CD2-CD2 4.49Å; C100-L154 HydrophobicContact CB-CD1 3.67Å; F106-L154 HydrophobicContact CB-CD1 3.75Å; D107-L154 PolarHBondContact O-N 2.99Å; I109-L154 HydrophobicContact CB-CD1 4.18Å; I109-L154 HydrophobicContact CG2-CD1 4.21Å; I109-L154 HydrophobicContact CG2-CD2 4.15Å; I109-L154 HydrophobicContact CG2-CG 4.25Å; K152-L154 HydrophobicContact CD-CD2 4.47Å
155R82.5Confident72.1Confident130 Ų13081.1 Ų81.149%0.49148%0.476SS..SBendtrans-87.9137.1166.8-67.3-178.7-176.4-177.3-3.1109.5T105 D107T105-R155 PolarHBondContact O-NH2 2.96Å; D107-R155 PolarHBondContact O-N 3.28Å; D107-R155 VanDerWaalsContact OD1-CD 3.25Å; D107-R155 WeakPolarHBondContact OD1-CD 3.39Å; D107-R155 IonicContact OD1-CZ 2.85Å; D107-R155 IonicContact OD1-NE 3.71Å; D107-R155 PolarHBondContact OD1-NE 2.81Å; D107-R155 VanDerWaalsContact OD1-NE 3.14Å; D107-R155 IonicContact OD1-NH1 2.95Å; D107-R155 PolarHBondContact OD1-NH1 3.31Å; D107-R155 IonicContact OD1-NH2 3.24Å
156S59.3Low69.5Low107 Ų10790 Ų9075%0.74852%0.517SS*.PPolyproline II helixtrans-55.5141161.2-61.70000108.2C158S156-C158 PolarHBondContact O-N 3.27Å
157P51Low66.7Low123 Ų12398.4 Ų98.480%0.79955%0.552SS**PPolyproline II helixtrans-51.9122.8167.823.2-31.9000106.8A159P157-A159 PolarHBondContact O-N 3Å
158C41.8Very low64Low123 Ų123105 Ų10583%0.83159%0.593SS**PPolyproline II helixtrans-50.8118.3173.1-162.80000105.8S156S156-C158 PolarHBondContact O-N 3.27Å
159A41.3Very low61.6Low77 Ų77116.1 Ų116.164%0.63665%0.645SS**PPolyproline II helixtrans-51.9134.9172.800000106.8P157P157-A159 PolarHBondContact O-N 3Å
160P42.8Very low59.7Low113 Ų113121.8 Ų121.873%0.73468%0.676SS**PPolyproline II helixtrans-52.4138.317421.8-30.4000108G162P160-G162 PolarHBondContact O-N 2.85Å
161P45.5Very low57.6Low126 Ų126128.2 Ų128.282%0.81871%0.711SS**PPolyproline II helixtrans-52.1121.3175.720.3-30.2000107.8E163P161-E163 PolarHBondContact O-N 2.7Å
162G43.7Very low55.4Low67 Ų67133.6 Ų133.669%0.69174%0.743SS**PPolyproline II helixtrans-53.1135.2-169.600000111.6P160 E164P160-G162 PolarHBondContact O-N 2.85Å; G162-E164 PolarHBondContact O-N 2.9Å
163E43.1Very low52.8Low190 Ų190138.1 Ų138.189%0.88877%0.772SS**  trans-53.5112.6160.5-70177.3155.900107.6P161 L165P161-E163 PolarHBondContact O-N 2.7Å; E163-L165 PolarHBondContact O-N 2.99Å
164E40.6Very low50.1Low188 Ų188141.6 Ų141.688%0.87979%0.785SS**  trans-58.2107.3164.6-77.4-179.5156.100107.4G162 Q166G162-E164 PolarHBondContact O-N 2.9Å; E164-Q166 PolarHBondContact O-N 2.99Å
165L44.2Very low47.1Very low165 Ų165147.1 Ų147.186%0.86482%0.816SS**  trans-54.1102.8164.6-83.8133.1000108E163 K167E163-L165 PolarHBondContact O-N 2.99Å; L165-K167 PolarHBondContact O-N 2.81Å
166Q40.7Very low44.6Very low192 Ų192148.3 Ų148.390%0.89784%0.839SS**  trans-56.5106.5165.2-79.9177.7-4.900107.6E164 T168E164-Q166 PolarHBondContact O-N 2.99Å; Q166-T168 PolarHBondContact O-N 3.18Å
167K40.3Very low43.4Very low198 Ų198151.5 Ų151.586%0.86185%0.846SS**  trans-67.1120.7163.9-77.5-176.6177.2179.20107.4L165L165-K167 PolarHBondContact O-N 2.81Å
168T42.2Very low42.8Very low139 Ų139153.8 Ų153.885%0.85385%0.85SS**  trans-48.7130.6164.43.70000111.2Q166Q166-T168 PolarHBondContact O-N 3.18Å
169E47.2Very low42.9Very low268 Ų268156.6 Ų156.6100%1.25285%0.852SS**  trans-125.40146.8-73.4-169.214000108.2

Retrieved 169 of 169 residues in 245.3 ms (Link to these results)

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