A0A5K4FAS1_SCHMA Loading...

1-phosphatidylinositol-5-phosphate 4-kinase

AlphaFold DB , UniProt , Accession A0A5K4FAS1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 517 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
1M92.9Very high91.6Very high97 Ų9741.8 Ų41.848%0.47821%0.214SC..  0-770-53.4-176.568.700110.6G3 I4 N5 F75 T76 Q79M1-G3 VanDerWaalsContact C-N 3.33Å; M1-G3 PolarHBondContact O-N 3.37Å; M1-I4 PolarHBondContact O-N 3.33Å; M1-N5 PolarHBondContact O-N 2.9Å; M1-F75 WeakPolarHBondContact CG-O 3.41Å; M1-T76 WeakPolarHBondContact CE-O 3.46Å; M1-Q79 HydrophobicContact SD-CB 4.24Å; M1-Q79 HydrophobicContact SD-CG 4.33Å
2W93.1Very high90.7Very high88 Ų8845.7 Ų45.733%0.33324%0.236SC..Hα-helixtrans-50.2-47-178.1-17593.1000114.1I4 N5 Y6 V31 V33 M43 F47W2-I4 PolarHBondContact O-N 2.9Å; W2-N5 WeakPolarHBondContact O-CB 3.42Å; W2-N5 PolarHBondContact O-N 3.46Å; W2-Y6 AromaticContact CH2-CD2 3.94Å; W2-Y6 HydrophobicContact CH2-CD2 3.94Å; W2-Y6 HydrophobicContact CH2-CG 4.06Å; W2-Y6 HydrophobicContact CZ2-CD2 4.34Å; W2-Y6 HydrophobicContact CZ3-CG 4.21Å; W2-Y6 PolarHBondContact O-N 2.97Å; W2-V31 HydrophobicContact CH2-CG1 4.04Å; W2-V31 HydrophobicContact CH2-CG2 4.24Å; W2-V31 HydrophobicContact CZ3-CG1 3.73Å; W2-V33 HydrophobicContact CH2-CG2 3.43Å; W2-V33 VanDerWaalsContact CH2-CG2 3.43Å; W2-V33 HydrophobicContact CZ2-CG2 3.91Å; W2-V33 HydrophobicContact CZ3-CG2 3.99Å; W2-M43 HydrophobicContact CB-CE 3.64Å; W2-M43 HydrophobicContact CB-SD 4.09Å; W2-M43 HydrophobicContact CD2-CE 4.21Å; W2-M43 HydrophobicContact CG-CE 3.68Å; W2-M43 HydrophobicContact CG-SD 4.4Å; W2-F47 HydrophobicContact CD2-CE2 4Å; W2-F47 AromaticContact CD2-CZ 3.95Å; W2-F47 HydrophobicContact CD2-CZ 3.95Å; W2-F47 AromaticContact CE3-CE2 3.46Å; W2-F47 HydrophobicContact CE3-CE2 3.46Å; W2-F47 VanDerWaalsContact CE3-CE2 3.46Å; W2-F47 AromaticContact CE3-CZ 3.89Å; W2-F47 HydrophobicContact CE3-CZ 3.89Å; W2-F47 HydrophobicContact CH2-CE2 4.23Å; W2-F47 HydrophobicContact CH2-CZ 4.36Å; W2-F47 HydrophobicContact CZ2-CZ 4.39Å; W2-F47 AromaticContact CZ3-CE2 3.6Å; W2-F47 HydrophobicContact CZ3-CE2 3.6Å; W2-F47 HydrophobicContact CZ3-CZ 4.11Å
3G94.3Very high89.9Confident7 Ų755.1 Ų55.17%0.07228%0.277CS..Hα-helixtrans-63.9-37-18000000114.5M1 Y6 S7 F49M1-G3 VanDerWaalsContact C-N 3.33Å; M1-G3 PolarHBondContact O-N 3.37Å; G3-Y6 PolarHBondContact O-N 3.31Å; G3-S7 VanDerWaalsContact O-CB 3.29Å; G3-S7 WeakPolarHBondContact O-CB 3.47Å; G3-S7 PolarHBondContact O-N 3.26Å; G3-F49 WeakPolarHBondContact O-CE1 3.49Å; G3-F49 VanDerWaalsContact O-CZ 3.29Å; G3-F49 WeakPolarHBondContact O-CZ 3.39Å
4I93.9Very high89.4Confident11 Ų1154.5 Ų54.56%0.05628%0.278CS..Hα-helixtrans-67.1-41.8174.2-67.1174000109.6M1 W2 S7 F8 Y71 F75 Y141M1-I4 PolarHBondContact O-N 3.33Å; W2-I4 PolarHBondContact O-N 2.9Å; I4-S7 PolarHBondContact O-N 3.29Å; I4-F8 HydrophobicContact CG2-CD2 4.03Å; I4-F8 HydrophobicContact CG2-CE2 4.03Å; I4-F8 VanDerWaalsContact O-CD2 3.24Å; I4-F8 WeakPolarHBondContact O-CD2 3.5Å; I4-F8 PolarHBondContact O-N 3.42Å; I4-Y71 HydrophobicContact CG2-CE1 4.24Å; I4-F75 HydrophobicContact CD1-CB 3.8Å; I4-F75 HydrophobicContact CD1-CD1 3.78Å; I4-F75 HydrophobicContact CD1-CD2 4.1Å; I4-F75 HydrophobicContact CD1-CE1 4.41Å; I4-F75 HydrophobicContact CD1-CG 3.61Å; I4-F75 HydrophobicContact CG2-CB 4.36Å; I4-Y141 HydrophobicContact CD1-CE2 4.39Å; I4-Y141 HydrophobicContact CG1-CE2 4.38Å
5N93.3Very high88.7Confident58 Ų5863.1 Ų63.131%0.3131%0.312SS..Hα-helixtrans-59.5-49.6174.9-171.756.4000111.7M1 W2 S7 F8 S9 W72 T76M1-N5 PolarHBondContact O-N 2.9Å; W2-N5 WeakPolarHBondContact O-CB 3.42Å; W2-N5 PolarHBondContact O-N 3.46Å; N5-S7 PolarHBondContact O-N 3.46Å; N5-F8 PolarHBondContact O-N 3.29Å; N5-S9 PolarHBondContact O-N 3.14Å; N5-S9 VanDerWaalsContact O-N 3.09Å; N5-S9 PolarHBondContact O-OG 3.13Å; N5-W72 WeakPolarHBondContact OD1-CZ2 3.4Å; N5-W72 PolarHBondContact OD1-NE1 3.47Å; N5-T76 HydrophobicContact CB-CG2 4.17Å
6Y92.5Very high87.8Confident86 Ų8666.1 Ų66.134%0.33733%0.325SS..Hα-helixtrans-57.8-47.1176.2176-92.6000112.1W2 G3 F8 S9 A10 M29 V31W2-Y6 AromaticContact CH2-CD2 3.94Å; W2-Y6 HydrophobicContact CH2-CD2 3.94Å; W2-Y6 HydrophobicContact CH2-CG 4.06Å; W2-Y6 HydrophobicContact CZ2-CD2 4.34Å; W2-Y6 HydrophobicContact CZ3-CG 4.21Å; W2-Y6 PolarHBondContact O-N 2.97Å; G3-Y6 PolarHBondContact O-N 3.31Å; Y6-F8 VanDerWaalsContact C-N 3.33Å; Y6-F8 PolarHBondContact O-N 3.23Å; Y6-S9 PolarHBondContact O-N 3.31Å; Y6-A10 HydrophobicContact CE1-CB 4.5Å; Y6-A10 WeakPolarHBondContact O-CB 3.45Å; Y6-A10 PolarHBondContact O-N 3.14Å; Y6-M29 HydrophobicContact CE1-CG 4.45Å; Y6-M29 HydrophobicContact CE1-SD 4.08Å; Y6-V31 HydrophobicContact CD1-CB 4.46Å; Y6-V31 HydrophobicContact CD1-CG1 3.93Å; Y6-V31 HydrophobicContact CE1-CB 3.89Å; Y6-V31 HydrophobicContact CE1-CG1 3.86Å; Y6-V31 HydrophobicContact CE1-CG2 4.36Å; Y6-V31 HydrophobicContact CE2-CG2 4.29Å; Y6-V31 HydrophobicContact CG-CG1 4.47Å
7S92.9Very high87.4Confident0 Ų068.4 Ų68.40%033%0.329CS..Hα-helixtrans-56.7-47179155.90000111.9G3 I4 N5 S9 A10 L11 M29 E51G3-S7 VanDerWaalsContact O-CB 3.29Å; G3-S7 WeakPolarHBondContact O-CB 3.47Å; G3-S7 PolarHBondContact O-N 3.26Å; I4-S7 PolarHBondContact O-N 3.29Å; N5-S7 PolarHBondContact O-N 3.46Å; S7-S9 PolarHBondContact O-N 3.23Å; S7-A10 PolarHBondContact O-N 3.46Å; S7-L11 WeakPolarHBondContact O-CB 3.39Å; S7-L11 VanDerWaalsContact O-CG 3.27Å; S7-L11 WeakPolarHBondContact O-CG 3.2Å; S7-L11 PolarHBondContact O-N 3.13Å; S7-M29 VanDerWaalsContact CA-CE 3.48Å; S7-E51 WeakPolarHBondContact CB-OE2 3.41Å; S7-E51 VanDerWaalsContact OG-CD 3.31Å; S7-E51 PolarHBondContact OG-OE1 3.03Å; S7-E51 PolarHBondContact OG-OE2 2.96Å
8F90.6Very high87Confident9 Ų970.5 Ų70.54%0.03936%0.36CS..Hα-helixtrans-65.7-40.3-179.6-87.3-119.7000111.8I4 N5 Y6 N12 K68 Y71 W72I4-F8 HydrophobicContact CG2-CD2 4.03Å; I4-F8 HydrophobicContact CG2-CE2 4.03Å; I4-F8 VanDerWaalsContact O-CD2 3.24Å; I4-F8 WeakPolarHBondContact O-CD2 3.5Å; I4-F8 PolarHBondContact O-N 3.42Å; N5-F8 PolarHBondContact O-N 3.29Å; Y6-F8 VanDerWaalsContact C-N 3.33Å; Y6-F8 PolarHBondContact O-N 3.23Å; F8-N12 PolarHBondContact O-N 2.85Å; F8-N12 PolarHBondContact O-ND2 3.44Å; F8-N12 PolarHBondContact O-OD1 3.37Å; F8-N12 VanDerWaalsContact O-OD1 3.06Å; F8-K68 HydrophobicContact CD1-CG 3.79Å; F8-K68 HydrophobicContact CE1-CB 4.45Å; F8-K68 HydrophobicContact CE1-CG 3.48Å; F8-K68 VanDerWaalsContact CE1-CG 3.48Å; F8-K68 VanDerWaalsContact CE1-O 3.28Å; F8-K68 WeakPolarHBondContact CE1-O 3.5Å; F8-Y71 HydrophobicContact CE1-CD1 4.25Å; F8-Y71 AromaticContact CE2-CD1 3.78Å; F8-Y71 HydrophobicContact CE2-CD1 3.78Å; F8-Y71 AromaticContact CE2-CE1 3.87Å; F8-Y71 HydrophobicContact CE2-CE1 3.87Å; F8-Y71 AromaticContact CZ-CD1 3.31Å; F8-Y71 HydrophobicContact CZ-CD1 3.31Å; F8-Y71 AromaticContact CZ-CE1 3.87Å; F8-Y71 HydrophobicContact CZ-CE1 3.87Å; F8-Y71 HydrophobicContact CZ-CG 4.25Å; F8-W72 HydrophobicContact CD1-CB 3.8Å; F8-W72 HydrophobicContact CD1-CG 4.21Å; F8-W72 HydrophobicContact CE1-CB 3.88Å; F8-W72 HydrophobicContact CG-CB 4.46Å; F8-W72 AromaticContact CG-CD1 3.9Å
9S89.1Confident87Confident56 Ų5674 Ų7439%0.39238%0.379SS..Hα-helixtrans-60.5-47172.9-61.90000111.6N5 Y6 S7 N12 H13N5-S9 PolarHBondContact O-N 3.14Å; N5-S9 VanDerWaalsContact O-N 3.09Å; N5-S9 PolarHBondContact O-OG 3.13Å; Y6-S9 PolarHBondContact O-N 3.31Å; S7-S9 PolarHBondContact O-N 3.23Å; S9-N12 WeakPolarHBondContact O-CB 3.49Å; S9-N12 PolarHBondContact O-N 3.46Å; S9-H13 PolarHBondContact O-CD2 3.29Å
10A88.4Confident87.2Confident29 Ų2972.3 Ų72.324%0.2437%0.371CS..Hα-helixtrans-63.6-43.3179.400000112.4Y6 S7 N12 H13 M29Y6-A10 HydrophobicContact CE1-CB 4.5Å; Y6-A10 WeakPolarHBondContact O-CB 3.45Å; Y6-A10 PolarHBondContact O-N 3.14Å; S7-A10 PolarHBondContact O-N 3.46Å; A10-N12 PolarHBondContact O-N 3.4Å; A10-H13 PolarHBondContact O-N 3.38Å; A10-M29 HydrophobicContact CB-CE 4.44Å; A10-M29 HydrophobicContact CB-SD 3.59Å; A10-M29 VanDerWaalsContact CB-SD 3.59Å
11L86.1Confident87.5Confident19 Ų1973.1 Ų73.110%0.09938%0.375CS..Hα-helixtrans-68.5-20.8-179.5-69.6172.3000113.7S7 H13 V14 P54 M55S7-L11 WeakPolarHBondContact O-CB 3.39Å; S7-L11 VanDerWaalsContact O-CG 3.27Å; S7-L11 WeakPolarHBondContact O-CG 3.2Å; S7-L11 PolarHBondContact O-N 3.13Å; L11-H13 PolarHBondContact O-N 3.48Å; L11-V14 HydrophobicContact CD2-CG2 4.36Å; L11-V14 PolarHBondContact O-N 3Å; L11-P54 HydrophobicContact CD1-CB 4.24Å; L11-P54 HydrophobicContact CD2-CB 3.94Å; L11-M55 HydrophobicContact CD2-SD 4.09Å
12N81Confident87.5Confident88 Ų8875.3 Ų75.347%0.47138%0.382SS..THydrogen-bonded Turntrans-65.4-24.2174.7-67.4-18.2000113.3F8 S9 A10 K68F8-N12 PolarHBondContact O-N 2.85Å; F8-N12 PolarHBondContact O-ND2 3.44Å; F8-N12 PolarHBondContact O-OD1 3.37Å; F8-N12 VanDerWaalsContact O-OD1 3.06Å; S9-N12 WeakPolarHBondContact O-CB 3.49Å; S9-N12 PolarHBondContact O-N 3.46Å; A10-N12 PolarHBondContact O-N 3.4Å; N12-K68 WeakPolarHBondContact OD1-CE 3.36Å; N12-K68 PolarHBondContact OD1-NZ 2.73Å
13H80.9Confident87.5Confident168 Ų16875 Ų7578%0.77839%0.387SS*.THydrogen-bonded Turntrans-91.6-6179.7-57.9-66.4000112.8S9 A10 L11S9-H13 PolarHBondContact O-CD2 3.29Å; A10-H13 PolarHBondContact O-N 3.38Å; L11-H13 PolarHBondContact O-N 3.48Å
14V82.3Confident87.6Confident47 Ų4775.2 Ų75.229%0.28539%0.387SS..SBendtrans-85.2124179.4-1780000109.7L11 Q16 M55L11-V14 HydrophobicContact CD2-CG2 4.36Å; L11-V14 PolarHBondContact O-N 3Å; V14-Q16 PolarHBondContact O-N 3.13Å; V14-M55 HydrophobicContact CG1-CE 4.35Å; V14-M55 HydrophobicContact CG1-SD 4Å
15K78.8Confident87.8Confident183 Ų18375.9 Ų75.980%0.79639%0.389SS*.PPolyproline II helixtrans-60.2123.4176-173176.5-178.7178.20110.1R17K15-R17 PolarHBondContact O-N 3.48Å
16Q74.1Confident87.9Confident111 Ų11180.5 Ų80.552%0.51941%0.406SS..PPolyproline II helixtrans-62.6122.1176.5-171.366.82500109.9V14 K58V14-Q16 PolarHBondContact O-N 3.13Å; Q16-K58 VanDerWaalsContact OE1-CE 3.23Å
17R81.5Confident88.1Confident105 Ų10576.9 Ų76.940%0.39639%0.394SS..PPolyproline II helixtrans-98.4148172.6-69.2-178.7-71.4166.94.3109.8K15 D24K15-R17 PolarHBondContact O-N 3.48Å; R17-D24 IonicContact CZ-OD1 4Å; R17-D24 IonicContact CZ-OD2 3.89Å; R17-D24 IonicContact NH1-OD1 3.31Å; R17-D24 IonicContact NH2-OD1 3.72Å; R17-D24 PolarHBondContact NH2-OD1 3Å; R17-D24 IonicContact NH2-OD2 2.97Å; R17-D24 PolarHBondContact NH2-OD2 3.23Å
18A79.7Confident88.2Confident107 Ų10779.2 Ų79.288%0.88440%0.403SS*.SBendtrans-74.1-30-177.700000113.3
19L86.8Confident88.4Confident137 Ų13780.1 Ų80.172%0.71741%0.408SS*.SBendtrans-127.6145.1-179-62.6174.7000109.7
20L92Very high88.7Confident40 Ų4081.5 Ų81.521%0.20941%0.407CS..  trans-76.6137.3168.2-64.9179.5000109.2D24 F25 M55 V56 Y122L20-D24 WeakPolarHBondContact CA-OD2 3.12Å; L20-D24 HydrophobicContact CD2-CB 4.37Å; L20-F25 HydrophobicContact CB-CE2 4.26Å; L20-F25 HydrophobicContact CD1-CE2 4.44Å; L20-F25 HydrophobicContact CD1-CZ 4.18Å; L20-M55 HydrophobicContact CD2-CB 4.02Å; L20-V56 HydrophobicContact CD1-CB 4.36Å; L20-V56 HydrophobicContact CD1-CG1 4.31Å; L20-V56 HydrophobicContact CD1-CG2 4.19Å; L20-Y122 HydrophobicContact CD1-CD1 4.3Å; L20-Y122 HydrophobicContact CD1-CD2 4.03Å; L20-Y122 HydrophobicContact CD1-CE1 3.76Å; L20-Y122 HydrophobicContact CD1-CE2 3.47Å; L20-Y122 VanDerWaalsContact CD1-CE2 3.47Å; L20-Y122 HydrophobicContact CD1-CG 4.42Å; L20-Y122 WeakPolarHBondContact CD1-OH 3.09Å
21L92.8Very high89Confident90 Ų9081.1 Ų81.147%0.47140%0.402SS..  trans-91.6160.7171.3-58.7-175000110D23 D24L21-D23 PolarHBondContact O-N 3.39Å; L21-D24 PolarHBondContact N-OD2 3.34Å; L21-D24 VanDerWaalsContact O-CB 3.3Å; L21-D24 WeakPolarHBondContact O-CB 3.35Å; L21-D24 PolarHBondContact O-N 3.42Å
22K93.1Very high89.4Confident143 Ų14386.4 Ų86.462%0.62242%0.424SS*.G310 helixtrans-58.8-33.1177.8-142.8175.4-172.2178.40112.4D24 F25K22-D24 PolarHBondContact O-N 3.31Å; K22-F25 PolarHBondContact O-N 3.24Å
23D94.4Very high89.8Confident82 Ų8283.1 Ų83.144%0.43941%0.407SS..G310 helixtrans-65.7-25.6176.5-64.1-20.7000113.1L21 F25 K26 A27 I411L21-D23 PolarHBondContact O-N 3.39Å; D23-F25 PolarHBondContact O-N 3.37Å; D23-K26 CarbonylContact O-C 3.59Å; D23-K26 PolarHBondContact O-N 3.22Å; D23-A27 WeakPolarHBondContact O-CB 3.34Å; D23-A27 PolarHBondContact O-N 3.15Å; D23-I411 HydrophobicContact CB-CD1 3.65Å; D23-I411 VanDerWaalsContact CG-CD1 3.4Å; D23-I411 WeakPolarHBondContact OD2-CD1 3.39Å
24D95.8Very high90.1Very high11 Ų1179.3 Ų79.36%0.05939%0.393CS..G310 helixtrans-65.4-25.2178.9-63.8-36.7000111.9R17 L20 L21 K22 K26 M55 V56R17-D24 IonicContact CZ-OD1 4Å; R17-D24 IonicContact CZ-OD2 3.89Å; R17-D24 IonicContact NH1-OD1 3.31Å; R17-D24 IonicContact NH2-OD1 3.72Å; R17-D24 PolarHBondContact NH2-OD1 3Å; R17-D24 IonicContact NH2-OD2 2.97Å; R17-D24 PolarHBondContact NH2-OD2 3.23Å; L20-D24 WeakPolarHBondContact CA-OD2 3.12Å; L20-D24 HydrophobicContact CD2-CB 4.37Å; L21-D24 PolarHBondContact N-OD2 3.34Å; L21-D24 VanDerWaalsContact O-CB 3.3Å; L21-D24 WeakPolarHBondContact O-CB 3.35Å; L21-D24 PolarHBondContact O-N 3.42Å; K22-D24 PolarHBondContact O-N 3.31Å; D24-K26 VanDerWaalsContact C-N 3.28Å; D24-M55 HydrophobicContact CB-CB 4.39Å; D24-V56 HydrophobicContact CB-CG2 4.06Å; D24-V56 WeakPolarHBondContact O-CG2 3.48Å
25F96.9Very high90.1Very high25 Ų2578.9 Ų78.911%0.1139%0.389CS..G310 helixtrans-78.9-9.6176-66.5-91.6000113.6L20 K22 D23 C53 V56 L118 E119 Y122L20-F25 HydrophobicContact CB-CE2 4.26Å; L20-F25 HydrophobicContact CD1-CE2 4.44Å; L20-F25 HydrophobicContact CD1-CZ 4.18Å; K22-F25 PolarHBondContact O-N 3.24Å; D23-F25 PolarHBondContact O-N 3.37Å; F25-C53 VanDerWaalsContact C-SG 3.54Å; F25-C53 PolarHBondContact O-SG 3.17Å; F25-V56 HydrophobicContact CD1-CG1 4.14Å; F25-V56 HydrophobicContact CD1-CG2 3.92Å; F25-V56 HydrophobicContact CD2-CG2 4.31Å; F25-V56 HydrophobicContact CE1-CG1 3.68Å; F25-V56 HydrophobicContact CE1-CG2 4.01Å; F25-V56 HydrophobicContact CE2-CG2 4.4Å; F25-V56 HydrophobicContact CG-CG2 4.07Å; F25-V56 HydrophobicContact CZ-CG1 4.25Å; F25-V56 HydrophobicContact CZ-CG2 4.26Å; F25-L118 HydrophobicContact CD1-CB 4.39Å; F25-L118 HydrophobicContact CD1-CD2 4.05Å; F25-L118 HydrophobicContact CD1-CG 3.86Å; F25-L118 HydrophobicContact CE1-CG 4.19Å; F25-E119 HydrophobicContact CD1-CB 4.04Å; F25-E119 HydrophobicContact CE1-CB 4.16Å; F25-E119 HydrophobicContact CE1-CG 4.41Å; F25-E119 HydrophobicContact CG-CB 4.48Å; F25-E119 HydrophobicContact CZ-CG 4.43Å; F25-Y122 HydrophobicContact CE1-CG 4.2Å; F25-Y122 AromaticContact CZ-CD1 3.91Å; F25-Y122 HydrophobicContact CZ-CD1 3.91Å; F25-Y122 AromaticContact CZ-CG 3.98Å; F25-Y122 HydrophobicContact CZ-CG 3.98Å
26K96Very high90.2Very high154 Ų15478 Ų7867%0.6739%0.387SS*.THydrogen-bonded Turntrans-113.8-16.4173.9-61.3-176.9179.6-176.70112.8D23 D24D23-K26 CarbonylContact O-C 3.59Å; D23-K26 PolarHBondContact O-N 3.22Å; D24-K26 VanDerWaalsContact C-N 3.28Å
27A95.9Very high90Very high10 Ų1079.5 Ų79.58%0.08339%0.394CS..  trans-60.6149.5-18000000112.1D23 C53D23-A27 WeakPolarHBondContact O-CB 3.34Å; D23-A27 PolarHBondContact O-N 3.15Å; A27-C53 WeakPolarHBondContact O-CA 3.34Å; A27-C53 PolarHBondContact O-N 3.31Å
28Y96.2Very high89.5Confident50 Ų5081.1 Ų81.120%0.19640%0.404CS..EExtended strand (participates in β ladder)trans-145.8160.6171.562-100.2000110.5K30 K50 E51Y28-K30 HydrophobicContact CD2-CB 4.2Å; Y28-K30 HydrophobicContact CE2-CB 4.29Å; Y28-K50 VanDerWaalsContact CB-CE 3.48Å; Y28-K50 HydrophobicContact CD2-CD 4.35Å; Y28-K50 HydrophobicContact CD2-CG 4.44Å; Y28-K50 HydrophobicContact CG-CD 4.48Å; Y28-E51 CarbonylContact C-O 3.52Å; Y28-E51 VanDerWaalsContact CA-O 3.29Å; Y28-E51 WeakPolarHBondContact CA-O 3.21Å; Y28-E51 WeakPolarHBondContact CB-O 3.37Å
29M95.2Very high89.2Confident28 Ų2879.1 Ų79.114%0.13838%0.378CS..EExtended strand (participates in β ladder)trans-120.4125.4170.4174.1172.353.600107.9Y6 S7 A10 K50 E51Y6-M29 HydrophobicContact CE1-CG 4.45Å; Y6-M29 HydrophobicContact CE1-SD 4.08Å; S7-M29 VanDerWaalsContact CA-CE 3.48Å; A10-M29 HydrophobicContact CB-CE 4.44Å; A10-M29 HydrophobicContact CB-SD 3.59Å; A10-M29 VanDerWaalsContact CB-SD 3.59Å; M29-K50 CarbonylContact O-C 3.57Å; M29-K50 WeakPolarHBondContact O-CA 3.3Å; M29-E51 HydrophobicContact CE-CB 4.29Å; M29-E51 WeakPolarHBondContact CE-OE2 3.02Å; M29-E51 PolarHBondContact N-O 2.89Å; M29-E51 PolarHBondContact O-N 3.25Å
30K95.4Very high88.7Confident84 Ų8477.9 Ų77.937%0.36537%0.367SS..EExtended strand (participates in β ladder)trans-126138.8-178.9-176.1-177.3176-170.40109.2Y28 F49 K50Y28-K30 HydrophobicContact CD2-CB 4.2Å; Y28-K30 HydrophobicContact CE2-CB 4.29Å; K30-F49 CarbonylContact C-O 3.5Å; K30-F49 WeakPolarHBondContact CA-O 3.29Å; K30-K50 HydrophobicContact CB-CB 4.38Å; K30-K50 HydrophobicContact CB-CG 4.37Å; K30-K50 HydrophobicContact CG-CB 4.35Å
31V94.3Very high88Confident22 Ų2284.9 Ų84.913%0.13340%0.399CS..EExtended strand (participates in β ladder)trans-134.6136172.761.80000109.3W2 Y6 V33 K48 F49W2-V31 HydrophobicContact CH2-CG1 4.04Å; W2-V31 HydrophobicContact CH2-CG2 4.24Å; W2-V31 HydrophobicContact CZ3-CG1 3.73Å; Y6-V31 HydrophobicContact CD1-CB 4.46Å; Y6-V31 HydrophobicContact CD1-CG1 3.93Å; Y6-V31 HydrophobicContact CE1-CB 3.89Å; Y6-V31 HydrophobicContact CE1-CG1 3.86Å; Y6-V31 HydrophobicContact CE1-CG2 4.36Å; Y6-V31 HydrophobicContact CE2-CG2 4.29Å; Y6-V31 HydrophobicContact CG-CG1 4.47Å; V31-V33 HydrophobicContact CG2-CG2 4.23Å; V31-K48 CarbonylContact O-C 3.54Å; V31-K48 WeakPolarHBondContact O-CA 3.45Å; V31-F49 HydrophobicContact CG1-CB 3.82Å; V31-F49 HydrophobicContact CG1-CD1 4.14Å; V31-F49 HydrophobicContact CG1-CG 4.48Å; V31-F49 PolarHBondContact N-O 2.68Å; V31-F49 PolarHBondContact O-N 3.29Å
32K93.7Very high87.5Confident129 Ų12986.6 Ų86.656%0.56141%0.408SS*.EExtended strand (participates in β ladder)trans-113.6121.3175.1179.9178.6-176.3-175.30107.8K48K32-K48 HydrophobicContact CB-CG 4.36Å; K32-K48 HydrophobicContact CG-CG 4.14Å
33V90.3Very high87.1Confident19 Ų1981.8 Ų81.812%0.11539%0.388CS..EExtended strand (participates in β ladder)trans-109.2124.5-179.7179.90000108.9W2 V31 N35 R46 F47W2-V33 HydrophobicContact CH2-CG2 3.43Å; W2-V33 VanDerWaalsContact CH2-CG2 3.43Å; W2-V33 HydrophobicContact CZ2-CG2 3.91Å; W2-V33 HydrophobicContact CZ3-CG2 3.99Å; V31-V33 HydrophobicContact CG2-CG2 4.23Å; V33-N35 VanDerWaalsContact CG1-OD1 3.25Å; V33-N35 WeakPolarHBondContact CG1-OD1 3.47Å; V33-R46 WeakPolarHBondContact O-CA 3.11Å; V33-F47 HydrophobicContact CB-CD1 4.07Å; V33-F47 HydrophobicContact CB-CD2 4.31Å; V33-F47 HydrophobicContact CB-CE1 3.58Å; V33-F47 HydrophobicContact CB-CE2 3.83Å; V33-F47 HydrophobicContact CB-CG 4.41Å; V33-F47 HydrophobicContact CB-CZ 3.44Å; V33-F47 VanDerWaalsContact CB-CZ 3.44Å; V33-F47 HydrophobicContact CG1-CD1 4.33Å; V33-F47 HydrophobicContact CG1-CE1 3.53Å; V33-F47 HydrophobicContact CG1-CZ 3.65Å; V33-F47 HydrophobicContact CG2-CD2 4.42Å; V33-F47 HydrophobicContact CG2-CE1 4.17Å; V33-F47 HydrophobicContact CG2-CE2 3.63Å; V33-F47 HydrophobicContact CG2-CZ 3.49Å; V33-F47 VanDerWaalsContact CG2-CZ 3.49Å; V33-F47 PolarHBondContact N-O 3.31Å; V33-F47 PolarHBondContact O-N 3.4Å; V33-F47 VanDerWaalsContact O-N 3.11Å
34N87.8Confident86.8Confident89 Ų8980.1 Ų80.148%0.47638%0.382SS..EExtended strand (participates in β ladder)trans-123.689.2176.6-61.5-48.6000109S45N34-S45 CarbonylContact C-O 3.57Å
35N81.9Confident86.4Confident38 Ų3881.8 Ų81.820%0.20340%0.395CS..  trans-83.9118.2178.1-66.8-19.2000110.2V33 S45V33-N35 VanDerWaalsContact CG1-OD1 3.25Å; V33-N35 WeakPolarHBondContact CG1-OD1 3.47Å; N35-S45 PolarHBondContact N-O 3.07Å
36H79.5Confident86.1Confident163 Ų16389.2 Ų89.276%0.75542%0.422SS*.SBendtrans-101.8108.9173-169.9-101.2000109.5F38H36-F38 PolarHBondContact O-N 2.9Å; H36-F38 VanDerWaalsContact O-N 3.12Å
37H69.8Low86Confident144 Ų14482.6 Ų82.667%0.66739%0.394SS*.SBendtrans55.325.7-178.6-68.2-95.2000115.7
38F71.5Confident86Confident138 Ų13884.6 Ų84.661%0.60540%0.4SS*.SBendtrans-123.7136.4179.4-177.1-104.3000111H36 K40H36-F38 PolarHBondContact O-N 2.9Å; H36-F38 VanDerWaalsContact O-N 3.12Å; F38-K40 PolarHBondContact O-N 2.79Å; F38-K40 VanDerWaalsContact O-N 3.08Å
39N73.8Confident86.1Confident65 Ų6582.5 Ų82.535%0.34839%0.392SS..SBendtrans49.634.9173-161.523.7000115.8E41 N42 M43N39-E41 PolarHBondContact O-N 3.27Å; N39-N42 PolarHBondContact O-N 3.47Å; N39-N42 WeakPolarHBondContact OD1-CB 3.38Å; N39-N42 PolarHBondContact OD1-ND2 2.83Å; N39-M43 PolarHBondContact O-N 2.88Å; N39-M43 VanDerWaalsContact O-N 3.14Å
40K75.8Confident86.2Confident112 Ų11281.8 Ų81.849%0.48739%0.388SS..THydrogen-bonded Turntrans-66.6-22.1-176.7-73.6-173.9171.6177.10113.8F38F38-K40 PolarHBondContact O-N 2.79Å; F38-K40 VanDerWaalsContact O-N 3.08Å
41E78.6Confident86.3Confident187 Ų18777.8 Ų77.887%0.87437%0.371SS*.THydrogen-bonded Turntrans-73.5-32.5-179.1-62.8-178.9178.300112.1N39N39-E41 PolarHBondContact O-N 3.27Å
42N80.9Confident86.5Confident126 Ų12677.8 Ų77.867%0.67437%0.369SS*.THydrogen-bonded Turntrans-106.2-26.5-174.1-59-53.5000113.6N39N39-N42 PolarHBondContact O-N 3.47Å; N39-N42 WeakPolarHBondContact OD1-CB 3.38Å; N39-N42 PolarHBondContact OD1-ND2 2.83Å
43M86.5Confident86.7Confident41 Ų4171.6 Ų71.620%0.20234%0.342CS..SBendtrans-135.3143.7-171.5-70.8-66.1-66.800112W2 N39 F47W2-M43 HydrophobicContact CB-CE 3.64Å; W2-M43 HydrophobicContact CB-SD 4.09Å; W2-M43 HydrophobicContact CD2-CE 4.21Å; W2-M43 HydrophobicContact CG-CE 3.68Å; W2-M43 HydrophobicContact CG-SD 4.4Å; N39-M43 PolarHBondContact O-N 2.88Å; N39-M43 VanDerWaalsContact O-N 3.14Å; M43-F47 HydrophobicContact CB-CE1 4.46Å; M43-F47 HydrophobicContact CE-CD1 4.11Å; M43-F47 HydrophobicContact CE-CE1 3.37Å; M43-F47 HydrophobicContact CE-CE2 3.84Å; M43-F47 HydrophobicContact CE-CZ 3.21Å
44P87.3Confident86.9Confident48 Ų4870.8 Ų70.831%0.31234%0.337SS..  trans-54.9145.7169.9-22.832.8000111.4R46 F47 V145P44-R46 VanDerWaalsContact C-N 3.27Å; P44-R46 PolarHBondContact O-N 3.14Å; P44-F47 HydrophobicContact CB-CD1 4.31Å; P44-F47 WeakPolarHBondContact O-CD1 3.47Å; P44-V145 HydrophobicContact CB-CG1 3.89Å; P44-V145 HydrophobicContact CG-CG1 3.67Å
45S86.8Confident87.3Confident46 Ų4667.1 Ų67.132%0.32232%0.317SS..SBendtrans-66.1-31.4179.5-61.70000112.6N34 N35N34-S45 CarbonylContact C-O 3.57Å; N35-S45 PolarHBondContact N-O 3.07Å
46R90.7Very high88Confident180 Ų18065.3 Ų65.368%0.67931%0.307SS*.EExtended strand (participates in β ladder)trans-133.9124.3176.5-64.3-175.7-176.9-158.9-1.4109.9V33 P44V33-R46 WeakPolarHBondContact O-CA 3.11Å; P44-R46 VanDerWaalsContact C-N 3.27Å; P44-R46 PolarHBondContact O-N 3.14Å
47F94.2Very high88.8Confident16 Ų1657.6 Ų57.67%0.0727%0.271CS..EExtended strand (participates in β ladder)trans-152.5156.7172.864.4-87.5000111.2W2 V33 M43 P44 T144 V145W2-F47 HydrophobicContact CD2-CE2 4Å; W2-F47 AromaticContact CD2-CZ 3.95Å; W2-F47 HydrophobicContact CD2-CZ 3.95Å; W2-F47 AromaticContact CE3-CE2 3.46Å; W2-F47 HydrophobicContact CE3-CE2 3.46Å; W2-F47 VanDerWaalsContact CE3-CE2 3.46Å; W2-F47 AromaticContact CE3-CZ 3.89Å; W2-F47 HydrophobicContact CE3-CZ 3.89Å; W2-F47 HydrophobicContact CH2-CE2 4.23Å; W2-F47 HydrophobicContact CH2-CZ 4.36Å; W2-F47 HydrophobicContact CZ2-CZ 4.39Å; W2-F47 AromaticContact CZ3-CE2 3.6Å; W2-F47 HydrophobicContact CZ3-CE2 3.6Å; W2-F47 HydrophobicContact CZ3-CZ 4.11Å; V33-F47 HydrophobicContact CB-CD1 4.07Å; V33-F47 HydrophobicContact CB-CD2 4.31Å; V33-F47 HydrophobicContact CB-CE1 3.58Å; V33-F47 HydrophobicContact CB-CE2 3.83Å; V33-F47 HydrophobicContact CB-CG 4.41Å; V33-F47 HydrophobicContact CB-CZ 3.44Å; V33-F47 VanDerWaalsContact CB-CZ 3.44Å; V33-F47 HydrophobicContact CG1-CD1 4.33Å; V33-F47 HydrophobicContact CG1-CE1 3.53Å; V33-F47 HydrophobicContact CG1-CZ 3.65Å; V33-F47 HydrophobicContact CG2-CD2 4.42Å; V33-F47 HydrophobicContact CG2-CE1 4.17Å; V33-F47 HydrophobicContact CG2-CE2 3.63Å; V33-F47 HydrophobicContact CG2-CZ 3.49Å; V33-F47 VanDerWaalsContact CG2-CZ 3.49Å; V33-F47 PolarHBondContact N-O 3.31Å; V33-F47 PolarHBondContact O-N 3.4Å; V33-F47 VanDerWaalsContact O-N 3.11Å; M43-F47 HydrophobicContact CB-CE1 4.46Å; M43-F47 HydrophobicContact CE-CD1 4.11Å; M43-F47 HydrophobicContact CE-CE1 3.37Å; M43-F47 HydrophobicContact CE-CE2 3.84Å; M43-F47 HydrophobicContact CE-CZ 3.21Å; P44-F47 HydrophobicContact CB-CD1 4.31Å; P44-F47 WeakPolarHBondContact O-CD1 3.47Å; F47-T144 CarbonylContact C-O 3.47Å; F47-T144 WeakPolarHBondContact CA-O 3.49Å; F47-T144 WeakPolarHBondContact CB-O 3.44Å; F47-V145 HydrophobicContact CB-CG2 4.05Å
48K95.9Very high90Very high51 Ų5152.8 Ų52.822%0.22225%0.249CC..EExtended strand (participates in β ladder)trans-119.2141.5172.4-47.6175.2-175.7172.40108.8V31 K32 T144V31-K48 CarbonylContact O-C 3.54Å; V31-K48 WeakPolarHBondContact O-CA 3.45Å; K32-K48 HydrophobicContact CB-CG 4.36Å; K32-K48 HydrophobicContact CG-CG 4.14Å; K48-T144 HydrophobicContact CD-CG2 4.39Å; K48-T144 PolarHBondContact N-O 3.35Å; K48-T144 PolarHBondContact O-N 3.2Å
49F97.4Very high91.1Very high6 Ų647.2 Ų47.23%0.02623%0.227CC..EExtended strand (participates in β ladder)trans-124.5130.1171.4173.2-96.4000108.6G3 K30 V31 E51 Y141 L143G3-F49 WeakPolarHBondContact O-CE1 3.49Å; G3-F49 VanDerWaalsContact O-CZ 3.29Å; G3-F49 WeakPolarHBondContact O-CZ 3.39Å; K30-F49 CarbonylContact C-O 3.5Å; K30-F49 WeakPolarHBondContact CA-O 3.29Å; V31-F49 HydrophobicContact CG1-CB 3.82Å; V31-F49 HydrophobicContact CG1-CD1 4.14Å; V31-F49 HydrophobicContact CG1-CG 4.48Å; V31-F49 PolarHBondContact N-O 2.68Å; V31-F49 PolarHBondContact O-N 3.29Å; F49-E51 HydrophobicContact CE1-CB 4.06Å; F49-E51 HydrophobicContact CZ-CB 4.24Å; F49-Y141 HydrophobicContact CE1-CD1 4.48Å; F49-Y141 AromaticContact CE2-CD1 3.68Å; F49-Y141 HydrophobicContact CE2-CD1 3.68Å; F49-Y141 HydrophobicContact CE2-CE1 4.43Å; F49-Y141 HydrophobicContact CE2-CG 4.11Å; F49-Y141 AromaticContact CZ-CD1 3.4Å; F49-Y141 HydrophobicContact CZ-CD1 3.4Å; F49-Y141 AromaticContact CZ-CE1 3.83Å; F49-Y141 HydrophobicContact CZ-CE1 3.83Å; F49-Y141 HydrophobicContact CZ-CG 4.27Å; F49-L143 HydrophobicContact CD2-CD2 3.62Å; F49-L143 HydrophobicContact CE2-CD2 4.21Å
50K97.9Very high92.2Very high13 Ų1344.1 Ų44.16%0.05721%0.21CC..EExtended strand (participates in β ladder)trans-127.4127.3173.2179.3177.2-179.7175.40109.2Y28 M29 K30 Y52 Y141 R142Y28-K50 VanDerWaalsContact CB-CE 3.48Å; Y28-K50 HydrophobicContact CD2-CD 4.35Å; Y28-K50 HydrophobicContact CD2-CG 4.44Å; Y28-K50 HydrophobicContact CG-CD 4.48Å; M29-K50 CarbonylContact O-C 3.57Å; M29-K50 WeakPolarHBondContact O-CA 3.3Å; K30-K50 HydrophobicContact CB-CB 4.38Å; K30-K50 HydrophobicContact CB-CG 4.37Å; K30-K50 HydrophobicContact CG-CB 4.35Å; K50-Y52 HydrophobicContact CD-CE1 3.96Å; K50-Y52 HydrophobicContact CD-CE2 4.31Å; K50-Y52 HydrophobicContact CG-CE2 4.29Å; K50-Y141 CarbonylContact O-C 3.59Å; K50-Y141 VanDerWaalsContact O-CA 3.29Å; K50-Y141 WeakPolarHBondContact O-CA 3.11Å; K50-R142 HydrophobicContact CB-CB 4.22Å; K50-R142 PolarHBondContact N-O 2.95Å; K50-R142 PolarHBondContact O-N 3.27Å
51E98.1Very high93.2Very high0 Ų039.2 Ų39.20%019%0.189CC..EExtended strand (participates in β ladder)trans-103.4129.2167.2179.3172.7-146.100108.9S7 Y28 M29 F49 P54 Y141S7-E51 WeakPolarHBondContact CB-OE2 3.41Å; S7-E51 VanDerWaalsContact OG-CD 3.31Å; S7-E51 PolarHBondContact OG-OE1 3.03Å; S7-E51 PolarHBondContact OG-OE2 2.96Å; Y28-E51 CarbonylContact C-O 3.52Å; Y28-E51 VanDerWaalsContact CA-O 3.29Å; Y28-E51 WeakPolarHBondContact CA-O 3.21Å; Y28-E51 WeakPolarHBondContact CB-O 3.37Å; M29-E51 HydrophobicContact CE-CB 4.29Å; M29-E51 WeakPolarHBondContact CE-OE2 3.02Å; M29-E51 PolarHBondContact N-O 2.89Å; M29-E51 PolarHBondContact O-N 3.25Å; F49-E51 HydrophobicContact CE1-CB 4.06Å; F49-E51 HydrophobicContact CZ-CB 4.24Å; E51-P54 HydrophobicContact CG-CB 4.11Å; E51-Y141 HydrophobicContact CB-CD1 3.91Å; E51-Y141 HydrophobicContact CB-CE1 3.99Å; E51-Y141 HydrophobicContact CG-CD1 3.94Å; E51-Y141 HydrophobicContact CG-CE1 3.6Å; E51-Y141 WeakPolarHBondContact OE1-CE1 3.37Å; E51-Y141 PolarHBondContact OE1-OH 3.27Å
52Y98.3Very high93.9Very high22 Ų2234.3 Ų34.39%0.08617%0.169CC..EExtended strand (participates in β ladder)trans-92.2140.6177.5-63.9-92.4000110.1K50 F57 H115 L140 R142K50-Y52 HydrophobicContact CD-CE1 3.96Å; K50-Y52 HydrophobicContact CD-CE2 4.31Å; K50-Y52 HydrophobicContact CG-CE2 4.29Å; Y52-F57 WeakPolarHBondContact O-CD2 3.28Å; Y52-F57 WeakPolarHBondContact O-CE2 3.32Å; Y52-H115 AromaticContact CD1-CE1 3.77Å; Y52-H115 AromaticContact CD1-NE2 3.14Å; Y52-H115 WeakPolarHBondContact CD1-NE2 2.88Å; Y52-H115 AromaticContact CE1-NE2 3.76Å; Y52-H115 AromaticContact CG-NE2 3.71Å; Y52-L140 HydrophobicContact CD2-CD2 4.2Å; Y52-L140 HydrophobicContact CD2-CG 3.82Å; Y52-L140 HydrophobicContact CG-CD2 4.18Å; Y52-L140 HydrophobicContact CG-CG 4.23Å; Y52-L140 PolarHBondContact N-O 3.42Å; Y52-R142 HydrophobicContact CE2-CB 3.75Å
53C97.3Very high94.6Very high0 Ų033.2 Ų33.20%016%0.155CC..SBendtrans46.351.1174.3-48.80000114.3F25 A27 M55 V56 F57 H115 L118F25-C53 VanDerWaalsContact C-SG 3.54Å; F25-C53 PolarHBondContact O-SG 3.17Å; A27-C53 WeakPolarHBondContact O-CA 3.34Å; A27-C53 PolarHBondContact O-N 3.31Å; C53-M55 VanDerWaalsContact C-N 3.28Å; C53-M55 PolarHBondContact O-N 2.97Å; C53-M55 VanDerWaalsContact O-N 3.16Å; C53-V56 HydrophobicContact CB-CB 3.88Å; C53-V56 HydrophobicContact CB-CG2 3.84Å; C53-V56 WeakPolarHBondContact O-CB 3.45Å; C53-V56 PolarHBondContact O-N 3.09Å; C53-F57 HydrophobicContact CB-CD2 4.14Å; C53-F57 HydrophobicContact CB-CE2 4.12Å; C53-F57 WeakPolarHBondContact O-CD2 3.48Å; C53-F57 PolarHBondContact O-N 2.64Å; C53-H115 VanDerWaalsContact SG-CE1 3.51Å; C53-L118 HydrophobicContact CB-CD2 3.77Å; C53-L118 VanDerWaalsContact SG-CD2 3.53Å
54P96.2Very high95Very high1 Ų132 Ų321%0.00615%0.149CC..Hα-helixtrans-58.9-36.7-168.123.2-34.7000113.3L11 E51 K58L11-P54 HydrophobicContact CD1-CB 4.24Å; L11-P54 HydrophobicContact CD2-CB 3.94Å; E51-P54 HydrophobicContact CG-CB 4.11Å; P54-K58 VanDerWaalsContact O-CB 3.28Å; P54-K58 WeakPolarHBondContact O-CB 3.2Å; P54-K58 PolarHBondContact O-N 3.37Å
55M94.7Very high95.3Very high13 Ų1332 Ų326%0.06416%0.157CC..Hα-helixtrans-70.1-34.6176.9-63.1-53.3-64.100112.6L11 V14 L20 D24 C53 K58 S59L11-M55 HydrophobicContact CD2-SD 4.09Å; V14-M55 HydrophobicContact CG1-CE 4.35Å; V14-M55 HydrophobicContact CG1-SD 4Å; L20-M55 HydrophobicContact CD2-CB 4.02Å; D24-M55 HydrophobicContact CB-CB 4.39Å; C53-M55 VanDerWaalsContact C-N 3.28Å; C53-M55 PolarHBondContact O-N 2.97Å; C53-M55 VanDerWaalsContact O-N 3.16Å; M55-K58 HydrophobicContact CE-CD 4.5Å; M55-S59 WeakPolarHBondContact O-CB 3.42Å; M55-S59 PolarHBondContact O-N 3.11Å
56V96.8Very high95.7Very high0 Ų030.2 Ų30.20%014%0.144CC..Hα-helixtrans-67.4-49.7177.1-1750000109.9L20 D24 F25 C53 K58 S59 L60 L118 Y122L20-V56 HydrophobicContact CD1-CB 4.36Å; L20-V56 HydrophobicContact CD1-CG1 4.31Å; L20-V56 HydrophobicContact CD1-CG2 4.19Å; D24-V56 HydrophobicContact CB-CG2 4.06Å; D24-V56 WeakPolarHBondContact O-CG2 3.48Å; F25-V56 HydrophobicContact CD1-CG1 4.14Å; F25-V56 HydrophobicContact CD1-CG2 3.92Å; F25-V56 HydrophobicContact CD2-CG2 4.31Å; F25-V56 HydrophobicContact CE1-CG1 3.68Å; F25-V56 HydrophobicContact CE1-CG2 4.01Å; F25-V56 HydrophobicContact CE2-CG2 4.4Å; F25-V56 HydrophobicContact CG-CG2 4.07Å; F25-V56 HydrophobicContact CZ-CG1 4.25Å; F25-V56 HydrophobicContact CZ-CG2 4.26Å; C53-V56 HydrophobicContact CB-CB 3.88Å; C53-V56 HydrophobicContact CB-CG2 3.84Å; C53-V56 WeakPolarHBondContact O-CB 3.45Å; C53-V56 PolarHBondContact O-N 3.09Å; V56-K58 VanDerWaalsContact C-N 3.34Å; V56-K58 PolarHBondContact O-N 3.09Å; V56-S59 WeakPolarHBondContact O-CB 3.32Å; V56-S59 PolarHBondContact O-N 3.35Å; V56-S59 VanDerWaalsContact O-N 3.16Å; V56-L60 HydrophobicContact CG1-CD1 4.31Å; V56-L60 WeakPolarHBondContact O-CG 3.29Å; V56-L60 PolarHBondContact O-N 3.47Å; V56-L118 HydrophobicContact CB-CD2 4.48Å; V56-L118 HydrophobicContact CG1-CD1 4.02Å; V56-L118 HydrophobicContact CG1-CD2 4.1Å; V56-L118 HydrophobicContact CG1-CG 4.07Å; V56-Y122 HydrophobicContact CG1-CD2 4.08Å
57F97.2Very high95.8Very high0 Ų025.4 Ų25.40%013%0.132CC..Hα-helixtrans-67.9-32.6178-73.8-71.2000113Y52 C53 L60 R61 M114 L118 F137 L140Y52-F57 WeakPolarHBondContact O-CD2 3.28Å; Y52-F57 WeakPolarHBondContact O-CE2 3.32Å; C53-F57 HydrophobicContact CB-CD2 4.14Å; C53-F57 HydrophobicContact CB-CE2 4.12Å; C53-F57 WeakPolarHBondContact O-CD2 3.48Å; C53-F57 PolarHBondContact O-N 2.64Å; F57-L60 HydrophobicContact CD1-CD1 3.93Å; F57-L60 HydrophobicContact CE1-CD1 4.22Å; F57-L60 PolarHBondContact O-N 2.95Å; F57-R61 WeakPolarHBondContact O-CG 3.48Å; F57-R61 PolarHBondContact O-N 3.08Å; F57-M114 HydrophobicContact CE1-CE 4.38Å; F57-M114 HydrophobicContact CZ-CE 4.2Å; F57-L118 HydrophobicContact CZ-CD1 4.24Å; F57-F137 HydrophobicContact CE1-CB 3.96Å; F57-L140 HydrophobicContact CD2-CB 4.49Å; F57-L140 HydrophobicContact CE2-CB 3.57Å; F57-L140 HydrophobicContact CZ-CB 3.6Å
58K95Very high95.7Very high44 Ų4428.2 Ų28.219%0.19114%0.144CC..Hα-helixtrans-57.6-50.7168.1-175.9-173.7179.5-65.90111Q16 P54 M55 V56 L60 R61 D62Q16-K58 VanDerWaalsContact OE1-CE 3.23Å; P54-K58 VanDerWaalsContact O-CB 3.28Å; P54-K58 WeakPolarHBondContact O-CB 3.2Å; P54-K58 PolarHBondContact O-N 3.37Å; M55-K58 HydrophobicContact CE-CD 4.5Å; V56-K58 VanDerWaalsContact C-N 3.34Å; V56-K58 PolarHBondContact O-N 3.09Å; K58-L60 VanDerWaalsContact C-N 3.33Å; K58-L60 PolarHBondContact O-N 2.84Å; K58-R61 WeakPolarHBondContact O-CB 3.42Å; K58-R61 PolarHBondContact O-N 3.37Å; K58-D62 IonicContact NZ-OD2 2.68Å; K58-D62 PolarHBondContact NZ-OD2 3.45Å; K58-D62 VanDerWaalsContact O-CG 3.32Å; K58-D62 PolarHBondContact O-N 3.22Å
59S94.9Very high95.6Very high20 Ų2030.9 Ų30.914%0.1416%0.159CC..Hα-helixtrans-63.1-37.4178.8-174.70000112.6M55 V56 D62 R63 Y122M55-S59 WeakPolarHBondContact O-CB 3.42Å; M55-S59 PolarHBondContact O-N 3.11Å; V56-S59 WeakPolarHBondContact O-CB 3.32Å; V56-S59 PolarHBondContact O-N 3.35Å; V56-S59 VanDerWaalsContact O-N 3.16Å; S59-D62 PolarHBondContact O-N 3.03Å; S59-R63 VanDerWaalsContact O-CG 3.3Å; S59-R63 WeakPolarHBondContact O-CG 3.31Å; S59-R63 PolarHBondContact O-N 3Å; S59-Y122 WeakPolarHBondContact OG-CE2 3.28Å; S59-Y122 PolarHBondContact OG-OH 3.14Å
60L97Very high95.4Very high0 Ų034.9 Ų34.90%018%0.181CC..Hα-helixtrans-62.8-45.1173.4-74.7169.8000111.9V56 F57 K58 D62 R63 F64 L118 Y121 Y122 I125V56-L60 HydrophobicContact CG1-CD1 4.31Å; V56-L60 WeakPolarHBondContact O-CG 3.29Å; V56-L60 PolarHBondContact O-N 3.47Å; F57-L60 HydrophobicContact CD1-CD1 3.93Å; F57-L60 HydrophobicContact CE1-CD1 4.22Å; F57-L60 PolarHBondContact O-N 2.95Å; K58-L60 VanDerWaalsContact C-N 3.33Å; K58-L60 PolarHBondContact O-N 2.84Å; L60-D62 VanDerWaalsContact C-N 3.33Å; L60-D62 PolarHBondContact O-N 3.47Å; L60-R63 PolarHBondContact O-N 3.47Å; L60-R63 VanDerWaalsContact O-N 3.15Å; L60-F64 HydrophobicContact CB-CD2 4.29Å; L60-F64 HydrophobicContact CB-CE2 4.02Å; L60-F64 HydrophobicContact CD2-CE2 4.07Å; L60-F64 HydrophobicContact CD2-CZ 4.27Å; L60-F64 WeakPolarHBondContact O-CD2 3.33Å; L60-F64 WeakPolarHBondContact O-CG 3.4Å; L60-F64 PolarHBondContact O-N 3.05Å; L60-L118 HydrophobicContact CD1-CD1 4.31Å; L60-Y121 HydrophobicContact CD1-CD1 4.33Å; L60-Y121 HydrophobicContact CD1-CE1 4.01Å; L60-Y121 HydrophobicContact CD2-CD1 4.36Å; L60-Y121 HydrophobicContact CD2-CE1 3.92Å; L60-Y122 HydrophobicContact CD2-CD2 3.81Å; L60-Y122 HydrophobicContact CD2-CE2 4.46Å; L60-Y122 HydrophobicContact CG-CD2 4Å; L60-I125 HydrophobicContact CD2-CB 4.21Å; L60-I125 HydrophobicContact CD2-CG1 4.2Å; L60-I125 HydrophobicContact CD2-CG2 4.06Å
61R96.1Very high95.3Very high9 Ų934.3 Ų34.33%0.03418%0.178CC..Hα-helixtrans-56.3-47.3174.2-74.8-174.5-67.6-131.11.3111.5F57 K58 R63 F64 G65 V66 L138F57-R61 WeakPolarHBondContact O-CG 3.48Å; F57-R61 PolarHBondContact O-N 3.08Å; K58-R61 WeakPolarHBondContact O-CB 3.42Å; K58-R61 PolarHBondContact O-N 3.37Å; R61-R63 VanDerWaalsContact C-N 3.3Å; R61-R63 PolarHBondContact O-N 2.89Å; R61-F64 PolarHBondContact O-N 3.3Å; R61-G65 PolarHBondContact O-N 3.36Å; R61-V66 HydrophobicContact CB-CB 4.14Å; R61-V66 HydrophobicContact CB-CG1 4.46Å; R61-V66 HydrophobicContact CG-CB 4.4Å; R61-V66 HydrophobicContact CG-CG1 4.35Å; R61-V66 PolarHBondContact O-N 3.21Å; R61-L138 HydrophobicContact CG-CB 4.09Å; R61-L138 HydrophobicContact CG-CD2 4.05Å; R61-L138 PolarHBondContact NH1-O 3.47Å
62D93.8Very high95.1Very high85 Ų8538.2 Ų38.246%0.45519%0.193SC..Hα-helixtrans-59.1-41.5177.7-63.1-19.9000110.7K58 S59 L60 G65K58-D62 IonicContact NZ-OD2 2.68Å; K58-D62 PolarHBondContact NZ-OD2 3.45Å; K58-D62 VanDerWaalsContact O-CG 3.32Å; K58-D62 PolarHBondContact O-N 3.22Å; S59-D62 PolarHBondContact O-N 3.03Å; L60-D62 VanDerWaalsContact C-N 3.33Å; L60-D62 PolarHBondContact O-N 3.47Å; D62-G65 PolarHBondContact O-N 3.34Å
63R94Very high94.9Very high102 Ų10238.4 Ų38.439%0.38520%0.196SC..Hα-helixtrans-71.5-29.3178.4-72176.5-172.8-70.3-6.1114.6S59 L60 R61 G65 Y122 I125 V126S59-R63 VanDerWaalsContact O-CG 3.3Å; S59-R63 WeakPolarHBondContact O-CG 3.31Å; S59-R63 PolarHBondContact O-N 3Å; L60-R63 PolarHBondContact O-N 3.47Å; L60-R63 VanDerWaalsContact O-N 3.15Å; R61-R63 VanDerWaalsContact C-N 3.3Å; R61-R63 PolarHBondContact O-N 2.89Å; R63-G65 VanDerWaalsContact C-N 3.27Å; R63-Y122 PolarHBondContact NE-OH 3.02Å; R63-Y122 PolarHBondContact NH2-OH 2.85Å; R63-Y122 VanDerWaalsContact NH2-OH 3.07Å; R63-I125 HydrophobicContact CB-CG2 4.31Å; R63-V126 VanDerWaalsContact CZ-CG2 3.43Å
64F95.8Very high94.8Very high16 Ų1638.5 Ų38.57%0.0720%0.196CC..THydrogen-bonded Turntrans-86.94.8176.5-65-46.4000113.5L60 R61 V66 Y121 I125 Q136 L138 R156L60-F64 HydrophobicContact CB-CD2 4.29Å; L60-F64 HydrophobicContact CB-CE2 4.02Å; L60-F64 HydrophobicContact CD2-CE2 4.07Å; L60-F64 HydrophobicContact CD2-CZ 4.27Å; L60-F64 WeakPolarHBondContact O-CD2 3.33Å; L60-F64 WeakPolarHBondContact O-CG 3.4Å; L60-F64 PolarHBondContact O-N 3.05Å; R61-F64 PolarHBondContact O-N 3.3Å; F64-V66 HydrophobicContact CB-CG2 4.15Å; F64-V66 PolarHBondContact O-N 3.18Å; F64-Y121 WeakPolarHBondContact CZ-OH 3.13Å; F64-I125 HydrophobicContact CD1-CG2 4.38Å; F64-I125 HydrophobicContact CE1-CD1 3.83Å; F64-I125 HydrophobicContact CE1-CG1 4.17Å; F64-I125 HydrophobicContact CE1-CG2 3.58Å; F64-I125 HydrophobicContact CZ-CB 4.43Å; F64-I125 HydrophobicContact CZ-CD1 3.76Å; F64-I125 HydrophobicContact CZ-CG1 3.79Å; F64-I125 HydrophobicContact CZ-CG2 3.74Å; F64-Q136 HydrophobicContact CD1-CB 4.2Å; F64-Q136 VanDerWaalsContact CD1-CD 3.44Å; F64-Q136 HydrophobicContact CD1-CG 3.67Å; F64-Q136 HydrophobicContact CD2-CB 3.87Å; F64-Q136 HydrophobicContact CD2-CG 4.26Å; F64-Q136 HydrophobicContact CE1-CB 4.13Å; F64-Q136 HydrophobicContact CE1-CG 3.58Å; F64-Q136 HydrophobicContact CE2-CB 3.77Å; F64-Q136 HydrophobicContact CE2-CG 4.17Å; F64-Q136 HydrophobicContact CG-CB 4.08Å; F64-Q136 HydrophobicContact CG-CG 4.02Å; F64-Q136 HydrophobicContact CZ-CB 3.91Å; F64-Q136 HydrophobicContact CZ-CG 3.83Å; F64-L138 HydrophobicContact CD2-CD2 3.66Å; F64-L138 HydrophobicContact CE2-CD2 4.37Å; F64-R156 PolarHBondContact O-NH2 2.87Å; F64-R156 VanDerWaalsContact O-NH2 3.09Å
65G94.4Very high94.6Very high48 Ų4838.8 Ų38.850%0.49520%0.197SC..THydrogen-bonded Turntrans62.932.2-177.300000112.7R61 D62 R63R61-G65 PolarHBondContact O-N 3.36Å; D62-G65 PolarHBondContact O-N 3.34Å; R63-G65 VanDerWaalsContact C-N 3.27Å
66V94.7Very high94.5Very high8 Ų839.6 Ų39.65%0.04820%0.203CC..  trans-90.4109.4174.5175.10000108R61 F64 Y71 F101 L138R61-V66 HydrophobicContact CB-CB 4.14Å; R61-V66 HydrophobicContact CB-CG1 4.46Å; R61-V66 HydrophobicContact CG-CB 4.4Å; R61-V66 HydrophobicContact CG-CG1 4.35Å; R61-V66 PolarHBondContact O-N 3.21Å; F64-V66 HydrophobicContact CB-CG2 4.15Å; F64-V66 PolarHBondContact O-N 3.18Å; V66-Y71 HydrophobicContact CG1-CD2 3.96Å; V66-Y71 HydrophobicContact CG1-CG 4.3Å; V66-F101 HydrophobicContact CG1-CE1 4.08Å; V66-F101 HydrophobicContact CG1-CZ 3.81Å; V66-F101 HydrophobicContact CG2-CE1 4.21Å; V66-L138 HydrophobicContact CG2-CD1 4.24Å; V66-L138 HydrophobicContact CG2-CD2 4Å
67D92.8Very high94.2Very high80 Ų8045.8 Ų45.843%0.42823%0.226SC..  trans-63.5142.6175.1178.9-99000110.9M69 D70 Y71D67-M69 WeakPolarHBondContact OD1-CA 3.49Å; D67-M69 VanDerWaalsContact OD1-CB 3.31Å; D67-M69 WeakPolarHBondContact OD1-CB 3.35Å; D67-M69 PolarHBondContact OD1-N 2.84Å; D67-D70 HydrophobicContact CB-CB 4.03Å; D67-D70 PolarHBondContact O-N 3.29Å; D67-D70 PolarHBondContact OD1-N 3.31Å; D67-Y71 WeakPolarHBondContact O-CB 3.4Å; D67-Y71 PolarHBondContact O-N 3.3Å
68K92.5Very high93.9Very high75 Ų7550.4 Ų50.433%0.32625%0.248SC..Hα-helixtrans-62.8-46-178178.5-168.9167.2-162.40111.4F8 N12 W72F8-K68 HydrophobicContact CD1-CG 3.79Å; F8-K68 HydrophobicContact CE1-CB 4.45Å; F8-K68 HydrophobicContact CE1-CG 3.48Å; F8-K68 VanDerWaalsContact CE1-CG 3.48Å; F8-K68 VanDerWaalsContact CE1-O 3.28Å; F8-K68 WeakPolarHBondContact CE1-O 3.5Å; N12-K68 WeakPolarHBondContact OD1-CE 3.36Å; N12-K68 PolarHBondContact OD1-NZ 2.73Å; K68-W72 WeakPolarHBondContact O-CB 3.2Å; K68-W72 PolarHBondContact O-N 3.22Å
69M93.2Very high93.7Very high107 Ų10755.3 Ų55.353%0.52727%0.271SS..Hα-helixtrans-71-40.2-178.9-61.8-56.7174.500110.6D67 Y71 W72 D73D67-M69 WeakPolarHBondContact OD1-CA 3.49Å; D67-M69 VanDerWaalsContact OD1-CB 3.31Å; D67-M69 WeakPolarHBondContact OD1-CB 3.35Å; D67-M69 PolarHBondContact OD1-N 2.84Å; M69-Y71 PolarHBondContact O-N 3.19Å; M69-W72 PolarHBondContact O-N 3.29Å; M69-D73 WeakPolarHBondContact O-CB 2.96Å; M69-D73 PolarHBondContact O-N 3.43Å
70D92.9Very high93.5Very high90 Ų9055.2 Ų55.248%0.48127%0.27SS..Hα-helixtrans-60-45.1175.3-71.5-16000111.9D67 S74D67-D70 HydrophobicContact CB-CB 4.03Å; D67-D70 PolarHBondContact O-N 3.29Å; D67-D70 PolarHBondContact OD1-N 3.31Å; D70-S74 VanDerWaalsContact O-CB 3.28Å; D70-S74 WeakPolarHBondContact O-CB 3.12Å; D70-S74 PolarHBondContact O-N 2.98Å; D70-S74 PolarHBondContact O-OG 3.3Å
71Y95.4Very high93.2Very high0 Ų060.8 Ų60.80%030%0.299CS..Hα-helixtrans-62.7-48.3176.3-176.5-87.4000111.8I4 F8 V66 D67 M69 S74 F75 F101 L138 Y141 V154I4-Y71 HydrophobicContact CG2-CE1 4.24Å; F8-Y71 HydrophobicContact CE1-CD1 4.25Å; F8-Y71 AromaticContact CE2-CD1 3.78Å; F8-Y71 HydrophobicContact CE2-CD1 3.78Å; F8-Y71 AromaticContact CE2-CE1 3.87Å; F8-Y71 HydrophobicContact CE2-CE1 3.87Å; F8-Y71 AromaticContact CZ-CD1 3.31Å; F8-Y71 HydrophobicContact CZ-CD1 3.31Å; F8-Y71 AromaticContact CZ-CE1 3.87Å; F8-Y71 HydrophobicContact CZ-CE1 3.87Å; F8-Y71 HydrophobicContact CZ-CG 4.25Å; V66-Y71 HydrophobicContact CG1-CD2 3.96Å; V66-Y71 HydrophobicContact CG1-CG 4.3Å; D67-Y71 WeakPolarHBondContact O-CB 3.4Å; D67-Y71 PolarHBondContact O-N 3.3Å; M69-Y71 PolarHBondContact O-N 3.19Å; Y71-S74 PolarHBondContact O-N 3.2Å; Y71-F75 HydrophobicContact CD1-CD2 4.25Å; Y71-F75 HydrophobicContact CD2-CD2 4.47Å; Y71-F75 HydrophobicContact CD2-CE2 4.15Å; Y71-F75 AromaticContact CE1-CD2 3.97Å; Y71-F75 HydrophobicContact CE1-CD2 3.97Å; Y71-F75 HydrophobicContact CE1-CE2 4.16Å; Y71-F75 HydrophobicContact CE2-CD2 4.19Å; Y71-F75 AromaticContact CE2-CE2 3.63Å; Y71-F75 HydrophobicContact CE2-CE2 3.63Å; Y71-F75 AromaticContact CZ-CD2 3.94Å; Y71-F75 AromaticContact CZ-CE2 3.64Å; Y71-F75 WeakPolarHBondContact O-CD2 2.85Å; Y71-F75 PolarHBondContact O-N 3.04Å; Y71-F101 HydrophobicContact CD2-CD1 4.45Å; Y71-F101 HydrophobicContact CD2-CD2 4.26Å; Y71-F101 HydrophobicContact CD2-CE1 4.22Å; Y71-F101 HydrophobicContact CD2-CE2 4.02Å; Y71-F101 HydrophobicContact CD2-CG 4.48Å; Y71-F101 AromaticContact CD2-CZ 4Å; Y71-F101 HydrophobicContact CD2-CZ 4Å; Y71-L138 HydrophobicContact CD2-CB 4.47Å; Y71-L138 HydrophobicContact CD2-CD1 4.24Å; Y71-L138 HydrophobicContact CE2-CB 3.69Å; Y71-L138 HydrophobicContact CE2-CD1 3.99Å; Y71-Y141 PolarHBondContact OH-OH 3.47Å; Y71-V154 HydrophobicContact CE2-CG1 3.86Å; Y71-V154 WeakPolarHBondContact OH-CG1 3.41Å
72W94.5Very high92.7Very high82 Ų8267.2 Ų67.231%0.31132%0.323SS..Hα-helixtrans-58.5-52179.3175.984000110.6N5 F8 K68 M69 S74 F75 T76N5-W72 WeakPolarHBondContact OD1-CZ2 3.4Å; N5-W72 PolarHBondContact OD1-NE1 3.47Å; F8-W72 HydrophobicContact CD1-CB 3.8Å; F8-W72 HydrophobicContact CD1-CG 4.21Å; F8-W72 HydrophobicContact CE1-CB 3.88Å; F8-W72 HydrophobicContact CG-CB 4.46Å; F8-W72 AromaticContact CG-CD1 3.9Å; K68-W72 WeakPolarHBondContact O-CB 3.2Å; K68-W72 PolarHBondContact O-N 3.22Å; M69-W72 PolarHBondContact O-N 3.29Å; W72-S74 VanDerWaalsContact C-N 3.34Å; W72-S74 PolarHBondContact O-N 3.34Å; W72-F75 PolarHBondContact O-N 3.07Å; W72-F75 VanDerWaalsContact O-N 3.14Å; W72-T76 HydrophobicContact CD2-CG2 4.44Å; W72-T76 HydrophobicContact CG-CG2 4.4Å; W72-T76 WeakPolarHBondContact O-CG2 3.44Å; W72-T76 PolarHBondContact O-N 3.45Å; W72-T76 PolarHBondContact O-OG1 3.34Å
73D94.5Very high92Very high27 Ų2766.2 Ų66.214%0.14432%0.318CS..Hα-helixtrans-58.1-45.1-179-170.182.7000112.3M69 F75 T76 R77 Y97M69-D73 WeakPolarHBondContact O-CB 2.96Å; M69-D73 PolarHBondContact O-N 3.43Å; D73-F75 PolarHBondContact O-N 2.9Å; D73-F75 VanDerWaalsContact O-N 3.08Å; D73-T76 PolarHBondContact O-N 3.37Å; D73-R77 VanDerWaalsContact O-CB 3.27Å; D73-R77 WeakPolarHBondContact O-CB 3.32Å; D73-R77 PolarHBondContact O-N 3.24Å; D73-R77 IonicContact OD1-CZ 2.96Å; D73-R77 IonicContact OD1-NE 2.69Å; D73-R77 PolarHBondContact OD1-NE 3.45Å; D73-R77 IonicContact OD1-NH2 2.62Å; D73-R77 PolarHBondContact OD1-NH2 3.19Å; D73-R77 IonicContact OD2-CZ 3.63Å; D73-R77 IonicContact OD2-NE 2.66Å; D73-R77 PolarHBondContact OD2-NE 3.3Å; D73-R77 IonicContact OD2-NH2 3.14Å; D73-Y97 WeakPolarHBondContact O-CE1 3.25Å; D73-Y97 PolarHBondContact OD2-OH 3.47Å
74S94Very high90.6Very high1 Ų166.4 Ų66.41%0.00734%0.335CS..Hα-helixtrans-54.8-30.5179.1-61.90000113.6D70 Y71 W72 T96 Y97 N98 F101D70-S74 VanDerWaalsContact O-CB 3.28Å; D70-S74 WeakPolarHBondContact O-CB 3.12Å; D70-S74 PolarHBondContact O-N 2.98Å; D70-S74 PolarHBondContact O-OG 3.3Å; Y71-S74 PolarHBondContact O-N 3.2Å; W72-S74 VanDerWaalsContact C-N 3.34Å; W72-S74 PolarHBondContact O-N 3.34Å; S74-T96 WeakPolarHBondContact O-CB 3.4Å; S74-T96 VanDerWaalsContact O-CG2 3.3Å; S74-T96 WeakPolarHBondContact O-CG2 3.24Å; S74-Y97 WeakPolarHBondContact O-CD1 3.24Å; S74-N98 PolarHBondContact OG-ND2 2.95Å; S74-F101 WeakPolarHBondContact OG-CE2 3.23Å
75F93.4Very high88.8Confident8 Ų867.3 Ų67.34%0.03534%0.342CS..Hα-helixtrans-101.7-19.3-179.3-79.8-74.1000114.7M1 I4 Y71 W72 D73 P80 T96 F101 A103 V154M1-F75 WeakPolarHBondContact CG-O 3.41Å; I4-F75 HydrophobicContact CD1-CB 3.8Å; I4-F75 HydrophobicContact CD1-CD1 3.78Å; I4-F75 HydrophobicContact CD1-CD2 4.1Å; I4-F75 HydrophobicContact CD1-CE1 4.41Å; I4-F75 HydrophobicContact CD1-CG 3.61Å; I4-F75 HydrophobicContact CG2-CB 4.36Å; Y71-F75 HydrophobicContact CD1-CD2 4.25Å; Y71-F75 HydrophobicContact CD2-CD2 4.47Å; Y71-F75 HydrophobicContact CD2-CE2 4.15Å; Y71-F75 AromaticContact CE1-CD2 3.97Å; Y71-F75 HydrophobicContact CE1-CD2 3.97Å; Y71-F75 HydrophobicContact CE1-CE2 4.16Å; Y71-F75 HydrophobicContact CE2-CD2 4.19Å; Y71-F75 AromaticContact CE2-CE2 3.63Å; Y71-F75 HydrophobicContact CE2-CE2 3.63Å; Y71-F75 AromaticContact CZ-CD2 3.94Å; Y71-F75 AromaticContact CZ-CE2 3.64Å; Y71-F75 WeakPolarHBondContact O-CD2 2.85Å; Y71-F75 PolarHBondContact O-N 3.04Å; W72-F75 PolarHBondContact O-N 3.07Å; W72-F75 VanDerWaalsContact O-N 3.14Å; D73-F75 PolarHBondContact O-N 2.9Å; D73-F75 VanDerWaalsContact O-N 3.08Å; F75-P80 HydrophobicContact CD1-CG 4.23Å; F75-T96 HydrophobicContact CD1-CG2 3.66Å; F75-T96 HydrophobicContact CD2-CG2 4.09Å; F75-T96 HydrophobicContact CE1-CG2 3.42Å; F75-T96 VanDerWaalsContact CE1-CG2 3.42Å; F75-T96 HydrophobicContact CE2-CG2 3.86Å; F75-T96 HydrophobicContact CG-CG2 3.98Å; F75-T96 HydrophobicContact CZ-CG2 3.51Å; F75-F101 HydrophobicContact CE2-CB 3.82Å; F75-F101 AromaticContact CE2-CD2 3.92Å; F75-F101 HydrophobicContact CE2-CD2 3.92Å; F75-F101 HydrophobicContact CE2-CG 4.05Å; F75-F101 HydrophobicContact CZ-CB 3.72Å; F75-F101 HydrophobicContact CZ-CG 4.45Å; F75-A103 HydrophobicContact CE1-CB 4.33Å; F75-V154 HydrophobicContact CE1-CG2 4.42Å; F75-V154 HydrophobicContact CE2-CG1 3.74Å; F75-V154 HydrophobicContact CZ-CB 4.39Å; F75-V154 HydrophobicContact CZ-CG1 3.42Å; F75-V154 VanDerWaalsContact CZ-CG1 3.42Å; F75-V154 HydrophobicContact CZ-CG2 4.01Å
76T92.1Very high86.8Confident29 Ų2974.5 Ų74.518%0.17835%0.354CS..Hα-helixtrans-109.5-29-172.660.90000113.5M1 N5 W72 D73M1-T76 WeakPolarHBondContact CE-O 3.46Å; N5-T76 HydrophobicContact CB-CG2 4.17Å; W72-T76 HydrophobicContact CD2-CG2 4.44Å; W72-T76 HydrophobicContact CG-CG2 4.4Å; W72-T76 WeakPolarHBondContact O-CG2 3.44Å; W72-T76 PolarHBondContact O-N 3.45Å; W72-T76 PolarHBondContact O-OG1 3.34Å; D73-T76 PolarHBondContact O-N 3.37Å
77R90.3Very high84.9Confident131 Ų13175.7 Ų75.749%0.49437%0.368SS..SBendtrans-66.4-46.5-176.6-174.2-177.3-69.3-85.9-6.6112.5D73 Y97D73-R77 VanDerWaalsContact O-CB 3.27Å; D73-R77 WeakPolarHBondContact O-CB 3.32Å; D73-R77 PolarHBondContact O-N 3.24Å; D73-R77 IonicContact OD1-CZ 2.96Å; D73-R77 IonicContact OD1-NE 2.69Å; D73-R77 PolarHBondContact OD1-NE 3.45Å; D73-R77 IonicContact OD1-NH2 2.62Å; D73-R77 PolarHBondContact OD1-NH2 3.19Å; D73-R77 IonicContact OD2-CZ 3.63Å; D73-R77 IonicContact OD2-NE 2.66Å; D73-R77 PolarHBondContact OD2-NE 3.3Å; D73-R77 IonicContact OD2-NH2 3.14Å; R77-Y97 HydrophobicContact CB-CE1 3.85Å; R77-Y97 WeakPolarHBondContact CD-OH 3.46Å
78H90.9Very high83Confident97 Ų9781.6 Ų81.645%0.44939%0.39SS..SBendtrans-135.2151.3178.2-63.8-66.6000111P80 Y97H78-P80 WeakPolarHBondContact O-CD 3.38Å; H78-Y97 HydrophobicContact CB-CD1 3.82Å; H78-Y97 HydrophobicContact CB-CD2 4.45Å; H78-Y97 HydrophobicContact CB-CG 3.73Å; H78-Y97 AromaticContact CD2-CD2 3.67Å; H78-Y97 AromaticContact CD2-CE2 3.89Å; H78-Y97 AromaticContact CD2-CG 3.81Å
79Q90.9Very high81.4Confident147 Ų14782.9 Ų82.969%0.68741%0.409SS*.PPolyproline II helixtrans-61.2126.4177.9-173.1173.435.200110.5M1M1-Q79 HydrophobicContact SD-CB 4.24Å; M1-Q79 HydrophobicContact SD-CG 4.33Å
80P91.1Very high80.1Confident17 Ų1780.1 Ų80.111%0.1141%0.407CS..PPolyproline II helixtrans-59.8142.6172.4-24.334.7000111.6F75 H78 L94 V95F75-P80 HydrophobicContact CD1-CG 4.23Å; H78-P80 WeakPolarHBondContact O-CD 3.38Å; P80-L94 HydrophobicContact CB-CB 4.29Å; P80-L94 HydrophobicContact CB-CD2 4.3Å; P80-V95 CarbonylContact C-O 3.5Å; P80-V95 VanDerWaalsContact CA-O 3.32Å; P80-V95 WeakPolarHBondContact CA-O 3.32Å; P80-V95 WeakPolarHBondContact CB-O 2.93Å
81L89.6Confident79.4Confident118 Ų11876.6 Ų76.662%0.61839%0.39SS*.EExtended strand (participates in β ladder)trans-92.2138.6-177.3-62.4174000110.5D83 L94 V95L81-D83 PolarHBondContact O-N 3.47Å; L81-L94 CarbonylContact O-C 3.51Å; L81-L94 WeakPolarHBondContact O-CA 3.49Å; L81-V95 PolarHBondContact N-O 2.85Å; L81-V95 PolarHBondContact O-N 3.3Å
82W85.2Confident78.9Confident143 Ų14381.6 Ų81.654%0.54241%0.411SS..EExtended strand (participates in β ladder)trans-71.5125.9171.9-66.996.7000110S84 K92 L94W82-S84 PolarHBondContact O-N 2.96Å; W82-K92 HydrophobicContact CE3-CB 3.93Å; W82-K92 HydrophobicContact CE3-CD 4.29Å; W82-K92 HydrophobicContact CH2-CD 4.48Å; W82-K92 HydrophobicContact CZ3-CB 3.57Å; W82-K92 HydrophobicContact CZ3-CD 3.89Å; W82-K92 HydrophobicContact CZ3-CG 4.39Å; W82-L94 HydrophobicContact CB-CD2 4.47Å; W82-L94 HydrophobicContact CD2-CD2 3.36Å; W82-L94 HydrophobicContact CD2-CG 3.96Å; W82-L94 VanDerWaalsContact CE2-CD2 3.5Å; W82-L94 HydrophobicContact CE3-CD2 3.65Å; W82-L94 HydrophobicContact CE3-CG 3.68Å; W82-L94 HydrophobicContact CG-CD2 3.74Å; W82-L94 HydrophobicContact CH2-CD1 3.86Å; W82-L94 HydrophobicContact CH2-CD2 4.17Å; W82-L94 HydrophobicContact CH2-CG 3.93Å; W82-L94 HydrophobicContact CZ2-CD1 4.11Å; W82-L94 HydrophobicContact CZ2-CD2 3.92Å; W82-L94 HydrophobicContact CZ2-CG 4.18Å; W82-L94 HydrophobicContact CZ3-CD1 4.07Å; W82-L94 HydrophobicContact CZ3-CD2 4.03Å; W82-L94 HydrophobicContact CZ3-CG 3.66Å
83D80.4Confident78.7Confident65 Ų6580.2 Ų80.235%0.34841%0.408SS..PPolyproline II helixtrans-71.7118.3169-169.9-14.6000108.5L81 T85 F93 V95L81-D83 PolarHBondContact O-N 3.47Å; D83-T85 PolarHBondContact O-N 2.66Å; D83-T85 WeakPolarHBondContact OD1-CB 3.42Å; D83-T85 WeakPolarHBondContact OD1-CG2 3.45Å; D83-T85 PolarHBondContact OD1-N 3.24Å; D83-T85 PolarHBondContact OD1-OG1 2.8Å; D83-T85 PolarHBondContact OD2-OG1 2.71Å; D83-F93 HydrophobicContact CB-CB 4.1Å; D83-F93 PolarHBondContact N-O 2.95Å; D83-V95 HydrophobicContact CB-CG2 4.31Å
84S63.4Low78.6Confident106 Ų10680.4 Ų80.474%0.74141%0.409SS*.  trans-72.9-5.5180-64.10000112.7W82 R86W82-S84 PolarHBondContact O-N 2.96Å; S84-R86 PolarHBondContact O-N 3.06Å
85T59.5Low78.6Confident34 Ų3481.6 Ų81.621%0.20942%0.416CS..  trans-71.476.3171.664.10000110.6D83 G87 P235D83-T85 PolarHBondContact O-N 2.66Å; D83-T85 WeakPolarHBondContact OD1-CB 3.42Å; D83-T85 WeakPolarHBondContact OD1-CG2 3.45Å; D83-T85 PolarHBondContact OD1-N 3.24Å; D83-T85 PolarHBondContact OD1-OG1 2.8Å; D83-T85 PolarHBondContact OD2-OG1 2.71Å; T85-G87 PolarHBondContact O-N 2.93Å; T85-P235 HydrophobicContact CG2-CB 3.7Å
86R51.5Low78.7Confident199 Ų19981.3 Ų81.375%0.75142%0.415SS*.  trans-63.7101.7175.6-169.3-179-76-128.65.6109.1S84S84-R86 PolarHBondContact O-N 3.06Å
87G55.5Low78.6Confident33 Ų3383.6 Ų83.634%0.3442%0.421SS..  trans-63.1156171.500000111.3T85 S89 G90T85-G87 PolarHBondContact O-N 2.93Å; G87-S89 PolarHBondContact O-N 3.47Å; G87-G90 PolarHBondContact O-N 2.99Å
88K53.1Low78.7Confident204 Ų20479 Ų7989%0.88741%0.406SS*.THydrogen-bonded Turntrans-56.6-22179.2-66.7-173179.9-175.30113.7G90K88-G90 VanDerWaalsContact C-N 3.33Å; K88-G90 PolarHBondContact O-N 3.21Å
89S57.8Low78.7Confident103 Ų10382 Ų8272%0.7241%0.413SS*.THydrogen-bonded Turntrans-82.80.2-172.8-162.90000114.7G87 S91G87-S89 PolarHBondContact O-N 3.47Å; S89-S91 PolarHBondContact O-N 3.37Å
90G66.5Low78.8Confident49 Ų4976.9 Ų76.951%0.50539%0.39SS..  trans70.6-15.9-175.700000114.9G87 K88 K92G87-G90 PolarHBondContact O-N 2.99Å; K88-G90 VanDerWaalsContact C-N 3.33Å; K88-G90 PolarHBondContact O-N 3.21Å; G90-K92 PolarHBondContact O-N 3.23Å
91S77.3Confident79.1Confident16 Ų1676.2 Ų76.211%0.11239%0.385CS..  trans-58.6127.9170-179.80000110.2S89 K104 T105S89-S91 PolarHBondContact O-N 3.37Å; S91-K104 WeakPolarHBondContact OG-CE 2.79Å; S91-K104 VanDerWaalsContact OG-CG 3.32Å; S91-K104 WeakPolarHBondContact OG-CG 3.43Å; S91-T105 WeakPolarHBondContact CB-O 3.33Å; S91-T105 PolarHBondContact OG-O 3.19Å
92K85.9Confident79.3Confident104 Ų10471.3 Ų71.345%0.45236%0.36SS..  trans-103.3144179.3-60.8177.5-175172.30109.5W82 G90 T105W82-K92 HydrophobicContact CE3-CB 3.93Å; W82-K92 HydrophobicContact CE3-CD 4.29Å; W82-K92 HydrophobicContact CH2-CD 4.48Å; W82-K92 HydrophobicContact CZ3-CB 3.57Å; W82-K92 HydrophobicContact CZ3-CD 3.89Å; W82-K92 HydrophobicContact CZ3-CG 4.39Å; G90-K92 PolarHBondContact O-N 3.23Å; K92-T105 PolarHBondContact O-N 3.08Å; K92-T105 PolarHBondContact O-OG1 3.21Å
93F90.7Very high79.8Confident54 Ų5464.7 Ų64.724%0.23734%0.335CS..EExtended strand (participates in β ladder)trans-109.9138.9175.4-62.8-87.2000110.3D83 V102 K104D83-F93 HydrophobicContact CB-CB 4.1Å; D83-F93 PolarHBondContact N-O 2.95Å; F93-V102 HydrophobicContact CB-CG1 4.17Å; F93-V102 HydrophobicContact CD1-CG1 3.56Å; F93-V102 HydrophobicContact CE1-CG1 4.41Å; F93-V102 HydrophobicContact CG-CG1 4.31Å; F93-K104 HydrophobicContact CD1-CB 3.86Å; F93-K104 HydrophobicContact CD1-CG 3.92Å; F93-K104 HydrophobicContact CE1-CB 3.79Å; F93-K104 HydrophobicContact CE1-CD 3.65Å; F93-K104 HydrophobicContact CE1-CG 3.5Å; F93-K104 VanDerWaalsContact CE1-CG 3.5Å; F93-K104 HydrophobicContact CZ-CD 3.99Å; F93-K104 HydrophobicContact CZ-CG 4.05Å
94L92.4Very high80.5Confident30 Ų3062.2 Ų62.216%0.15732%0.322CS..EExtended strand (participates in β ladder)trans-110.6132.9167.4-79.4166.5000107.6P80 L81 W82 V102 A103P80-L94 HydrophobicContact CB-CB 4.29Å; P80-L94 HydrophobicContact CB-CD2 4.3Å; L81-L94 CarbonylContact O-C 3.51Å; L81-L94 WeakPolarHBondContact O-CA 3.49Å; W82-L94 HydrophobicContact CB-CD2 4.47Å; W82-L94 HydrophobicContact CD2-CD2 3.36Å; W82-L94 HydrophobicContact CD2-CG 3.96Å; W82-L94 VanDerWaalsContact CE2-CD2 3.5Å; W82-L94 HydrophobicContact CE3-CD2 3.65Å; W82-L94 HydrophobicContact CE3-CG 3.68Å; W82-L94 HydrophobicContact CG-CD2 3.74Å; W82-L94 HydrophobicContact CH2-CD1 3.86Å; W82-L94 HydrophobicContact CH2-CD2 4.17Å; W82-L94 HydrophobicContact CH2-CG 3.93Å; W82-L94 HydrophobicContact CZ2-CD1 4.11Å; W82-L94 HydrophobicContact CZ2-CD2 3.92Å; W82-L94 HydrophobicContact CZ2-CG 4.18Å; W82-L94 HydrophobicContact CZ3-CD1 4.07Å; W82-L94 HydrophobicContact CZ3-CD2 4.03Å; W82-L94 HydrophobicContact CZ3-CG 3.66Å; L94-V102 CarbonylContact O-C 3.5Å; L94-V102 WeakPolarHBondContact O-CA 3.04Å; L94-A103 HydrophobicContact CB-CB 3.92Å; L94-A103 PolarHBondContact N-O 3.21Å; L94-A103 PolarHBondContact O-N 2.91Å
95V93.3Very high81.9Confident26 Ų2658.9 Ų58.916%0.15830%0.297CS..EExtended strand (participates in β ladder)trans-113.6129.3177.2-1760000107.8P80 L81 D83 R99 V102P80-V95 CarbonylContact C-O 3.5Å; P80-V95 VanDerWaalsContact CA-O 3.32Å; P80-V95 WeakPolarHBondContact CA-O 3.32Å; P80-V95 WeakPolarHBondContact CB-O 2.93Å; L81-V95 PolarHBondContact N-O 2.85Å; L81-V95 PolarHBondContact O-N 3.3Å; D83-V95 HydrophobicContact CB-CG2 4.31Å; V95-R99 HydrophobicContact CG1-CB 4.15Å; V95-R99 HydrophobicContact CG1-CG 4.14Å; V95-V102 HydrophobicContact CG2-CG2 4.36Å
96T94.6Very high83.6Confident3 Ų357.7 Ų57.72%0.01829%0.289CS..  trans-57.4153.8174.144.40000111.2S74 F75 N98 R99 Q100 F101S74-T96 WeakPolarHBondContact O-CB 3.4Å; S74-T96 VanDerWaalsContact O-CG2 3.3Å; S74-T96 WeakPolarHBondContact O-CG2 3.24Å; F75-T96 HydrophobicContact CD1-CG2 3.66Å; F75-T96 HydrophobicContact CD2-CG2 4.09Å; F75-T96 HydrophobicContact CE1-CG2 3.42Å; F75-T96 VanDerWaalsContact CE1-CG2 3.42Å; F75-T96 HydrophobicContact CE2-CG2 3.86Å; F75-T96 HydrophobicContact CG-CG2 3.98Å; F75-T96 HydrophobicContact CZ-CG2 3.51Å; T96-N98 PolarHBondContact O-N 2.99Å; T96-N98 PolarHBondContact OG1-OD1 3.46Å; T96-R99 WeakPolarHBondContact O-CA 3.4Å; T96-R99 PolarHBondContact O-N 3.48Å; T96-Q100 PolarHBondContact OG1-N 3.19Å; T96-F101 HydrophobicContact CG2-CB 3.91Å; T96-F101 HydrophobicContact CG2-CD2 4.3Å; T96-F101 PolarHBondContact N-O 3.45Å; T96-F101 PolarHBondContact OG1-N 3.03Å; T96-F101 PolarHBondContact OG1-O 2.93Å
97Y91.2Very high85.6Confident76 Ų7650.4 Ų50.430%0.29827%0.269SS..THydrogen-bonded Turntrans-59.7-34.7-172.875.9-89.8000112.7D73 S74 R77 H78 R99D73-Y97 WeakPolarHBondContact O-CE1 3.25Å; D73-Y97 PolarHBondContact OD2-OH 3.47Å; S74-Y97 WeakPolarHBondContact O-CD1 3.24Å; R77-Y97 HydrophobicContact CB-CE1 3.85Å; R77-Y97 WeakPolarHBondContact CD-OH 3.46Å; H78-Y97 HydrophobicContact CB-CD1 3.82Å; H78-Y97 HydrophobicContact CB-CD2 4.45Å; H78-Y97 HydrophobicContact CB-CG 3.73Å; H78-Y97 AromaticContact CD2-CD2 3.67Å; H78-Y97 AromaticContact CD2-CE2 3.89Å; H78-Y97 AromaticContact CD2-CG 3.81Å; Y97-R99 VanDerWaalsContact C-N 3.28Å
98N91.1Very high87.4Confident35 Ų3551.8 Ų51.819%0.18727%0.273CS..THydrogen-bonded Turntrans-86.55175.966.9-1.2000113.3S74 T96 Q100 P161S74-N98 PolarHBondContact OG-ND2 2.95Å; T96-N98 PolarHBondContact O-N 2.99Å; T96-N98 PolarHBondContact OG1-OD1 3.46Å; N98-Q100 HydrophobicContact CB-CG 4.43Å; N98-Q100 PolarHBondContact ND2-NE2 2.84Å; N98-Q100 PolarHBondContact O-N 2.93Å; N98-Q100 VanDerWaalsContact O-N 3.11Å; N98-Q100 PolarHBondContact OD1-N 3.45Å; N98-P161 WeakPolarHBondContact O-CB 3.47Å
99R92.2Very high89.3Confident159 Ų15946.8 Ų46.860%0.625%0.253SS*.SBendtrans60.314.8177.2-54.8-180177.8-156.80.5115.9V95 T96 Y97 N157 P161V95-R99 HydrophobicContact CG1-CB 4.15Å; V95-R99 HydrophobicContact CG1-CG 4.14Å; T96-R99 WeakPolarHBondContact O-CA 3.4Å; T96-R99 PolarHBondContact O-N 3.48Å; Y97-R99 VanDerWaalsContact C-N 3.28Å; R99-N157 VanDerWaalsContact O-CB 3.3Å; R99-N157 WeakPolarHBondContact O-CB 3.3Å; R99-N157 PolarHBondContact O-ND2 2.92Å; R99-P161 HydrophobicContact CB-CB 4.03Å
100Q93.6Very high91Very high41 Ų4143.6 Ų43.619%0.19223%0.227CC..SBendtrans-78.5-32.4-178-65.9-170.217.300113.3T96 N98 N157 P161 L449T96-Q100 PolarHBondContact OG1-N 3.19Å; N98-Q100 HydrophobicContact CB-CG 4.43Å; N98-Q100 PolarHBondContact ND2-NE2 2.84Å; N98-Q100 PolarHBondContact O-N 2.93Å; N98-Q100 VanDerWaalsContact O-N 3.11Å; N98-Q100 PolarHBondContact OD1-N 3.45Å; Q100-N157 WeakPolarHBondContact O-CB 3.38Å; Q100-N157 PolarHBondContact O-N 3.21Å; Q100-P161 HydrophobicContact CG-CB 4.34Å; Q100-P161 HydrophobicContact CG-CG 4.24Å; Q100-L449 HydrophobicContact CG-CD2 4.11Å
101F95.8Very high92.5Very high2 Ų241.7 Ų41.71%0.00921%0.205CC..EExtended strand (participates in β ladder)trans-126.3147.3-176.3-50.1-65.2000112.1V66 Y71 S74 F75 T96 L138 V154 M155V66-F101 HydrophobicContact CG1-CE1 4.08Å; V66-F101 HydrophobicContact CG1-CZ 3.81Å; V66-F101 HydrophobicContact CG2-CE1 4.21Å; Y71-F101 HydrophobicContact CD2-CD1 4.45Å; Y71-F101 HydrophobicContact CD2-CD2 4.26Å; Y71-F101 HydrophobicContact CD2-CE1 4.22Å; Y71-F101 HydrophobicContact CD2-CE2 4.02Å; Y71-F101 HydrophobicContact CD2-CG 4.48Å; Y71-F101 AromaticContact CD2-CZ 4Å; Y71-F101 HydrophobicContact CD2-CZ 4Å; S74-F101 WeakPolarHBondContact OG-CE2 3.23Å; F75-F101 HydrophobicContact CE2-CB 3.82Å; F75-F101 AromaticContact CE2-CD2 3.92Å; F75-F101 HydrophobicContact CE2-CD2 3.92Å; F75-F101 HydrophobicContact CE2-CG 4.05Å; F75-F101 HydrophobicContact CZ-CB 3.72Å; F75-F101 HydrophobicContact CZ-CG 4.45Å; T96-F101 HydrophobicContact CG2-CB 3.91Å; T96-F101 HydrophobicContact CG2-CD2 4.3Å; T96-F101 PolarHBondContact N-O 3.45Å; T96-F101 PolarHBondContact OG1-N 3.03Å; T96-F101 PolarHBondContact OG1-O 2.93Å; F101-L138 HydrophobicContact CD1-CD1 3.31Å; F101-L138 HydrophobicContact CE1-CD1 3.41Å; F101-L138 VanDerWaalsContact CE1-CD1 3.41Å; F101-L138 HydrophobicContact CG-CD1 4.37Å; F101-V154 HydrophobicContact CB-CG1 4.36Å; F101-M155 WeakPolarHBondContact CA-O 3.29Å
102V95.1Very high93.3Very high15 Ų1546.6 Ų46.69%0.09123%0.226CC..EExtended strand (participates in β ladder)trans-117.8131.2175.7-179.70000108.9F93 L94 V95 V154 M155 N157F93-V102 HydrophobicContact CB-CG1 4.17Å; F93-V102 HydrophobicContact CD1-CG1 3.56Å; F93-V102 HydrophobicContact CE1-CG1 4.41Å; F93-V102 HydrophobicContact CG-CG1 4.31Å; L94-V102 CarbonylContact O-C 3.5Å; L94-V102 WeakPolarHBondContact O-CA 3.04Å; V95-V102 HydrophobicContact CG2-CG2 4.36Å; V102-V154 WeakPolarHBondContact O-CA 3.29Å; V102-M155 HydrophobicContact CB-CG 4.36Å; V102-M155 PolarHBondContact N-O 3.46Å; V102-M155 PolarHBondContact O-N 3.44Å; V102-N157 HydrophobicContact CG2-CB 3.83Å
103A95.4Very high93.7Very high4 Ų442.3 Ų42.33%0.03321%0.208CC..EExtended strand (participates in β ladder)trans-107.5110.6172.700000108.8F75 L94 I152 V154F75-A103 HydrophobicContact CE1-CB 4.33Å; L94-A103 HydrophobicContact CB-CB 3.92Å; L94-A103 PolarHBondContact N-O 3.21Å; L94-A103 PolarHBondContact O-N 2.91Å; A103-I152 HydrophobicContact CB-CG2 3.68Å; A103-V154 HydrophobicContact CB-CG2 4.11Å
104K94.4Very high94Very high13 Ų1339.8 Ų39.86%0.05720%0.197CC..EExtended strand (participates in β ladder)trans-94.7133.3179.8-175.6-177.2178.2-170.30109.9S91 F93 I106 E110 I152 L153 M155 D472S91-K104 WeakPolarHBondContact OG-CE 2.79Å; S91-K104 VanDerWaalsContact OG-CG 3.32Å; S91-K104 WeakPolarHBondContact OG-CG 3.43Å; F93-K104 HydrophobicContact CD1-CB 3.86Å; F93-K104 HydrophobicContact CD1-CG 3.92Å; F93-K104 HydrophobicContact CE1-CB 3.79Å; F93-K104 HydrophobicContact CE1-CD 3.65Å; F93-K104 HydrophobicContact CE1-CG 3.5Å; F93-K104 VanDerWaalsContact CE1-CG 3.5Å; F93-K104 HydrophobicContact CZ-CD 3.99Å; F93-K104 HydrophobicContact CZ-CG 4.05Å; K104-I106 HydrophobicContact CB-CG2 4.44Å; K104-I106 HydrophobicContact CD-CG2 3.99Å; K104-I106 HydrophobicContact CG-CG2 4.01Å; K104-E110 IonicContact NZ-OE1 3.99Å; K104-I152 WeakPolarHBondContact O-CA 2.98Å; K104-L153 PolarHBondContact N-O 2.86Å; K104-L153 PolarHBondContact O-N 3.26Å; K104-M155 HydrophobicContact CB-CE 3.88Å; K104-M155 HydrophobicContact CD-CE 4.36Å; K104-D472 IonicContact NZ-OD1 3.85Å; K104-D472 PolarHBondContact NZ-OD1 3.26Å
105T94.2Very high94.1Very high37 Ų3741.4 Ų41.423%0.22720%0.203CC..EExtended strand (participates in β ladder)trans-76.7124166.9-50.40000109.3S91 K92 Y151S91-T105 WeakPolarHBondContact CB-O 3.33Å; S91-T105 PolarHBondContact OG-O 3.19Å; K92-T105 PolarHBondContact O-N 3.08Å; K92-T105 PolarHBondContact O-OG1 3.21Å; T105-Y151 WeakPolarHBondContact CA-O 3.24Å
106I94.5Very high94.2Very high9 Ų943.9 Ų43.95%0.04621%0.213CC..EExtended strand (participates in β ladder)trans-120.4160.6-178.562.6165.3000111.2K104 E110 V111 L140 Y151 L153 L474K104-I106 HydrophobicContact CB-CG2 4.44Å; K104-I106 HydrophobicContact CD-CG2 3.99Å; K104-I106 HydrophobicContact CG-CG2 4.01Å; I106-E110 WeakPolarHBondContact CA-OE2 3.5Å; I106-E110 HydrophobicContact CB-CB 3.91Å; I106-E110 VanDerWaalsContact CB-OE2 3.24Å; I106-E110 WeakPolarHBondContact CB-OE2 3.46Å; I106-E110 HydrophobicContact CD1-CB 4.22Å; I106-V111 HydrophobicContact CD1-CB 4.49Å; I106-V111 HydrophobicContact CD1-CG2 3.53Å; I106-V111 HydrophobicContact CG1-CG2 3.96Å; I106-L140 HydrophobicContact CD1-CD1 3.86Å; I106-Y151 PolarHBondContact N-O 3.41Å; I106-L153 HydrophobicContact CD1-CB 3.94Å; I106-L153 HydrophobicContact CD1-CD2 4.43Å; I106-L153 HydrophobicContact CG1-CB 4.34Å; I106-L153 HydrophobicContact CG2-CB 4.1Å; I106-L153 HydrophobicContact CG2-CD2 4.49Å; I106-L474 HydrophobicContact CD1-CD1 4.45Å; I106-L474 HydrophobicContact CG2-CD1 4.49Å
107S93.6Very high94.2Very high45 Ų4543.8 Ų43.832%0.31521%0.213SC..  trans-80.9165.6175.8840000112.2E109 E110 V111S107-E109 WeakPolarHBondContact CB-OE2 3.37Å; S107-E109 PolarHBondContact O-N 3.04Å; S107-E109 PolarHBondContact OG-N 2.77Å; S107-E109 PolarHBondContact OG-OE2 3.03Å; S107-E110 PolarHBondContact N-OE2 2.7Å; S107-E110 PolarHBondContact O-N 3.3Å; S107-E110 PolarHBondContact OG-N 2.96Å; S107-V111 WeakPolarHBondContact O-CG2 3.4Å; S107-V111 PolarHBondContact O-N 3.41Å
108S93.6Very high94.5Very high62 Ų6240.3 Ų40.343%0.43420%0.199SC..Hα-helixtrans-61.6-33.5173.851.90000112.1V111 E112S108-V111 WeakPolarHBondContact O-CB 3.12Å; S108-V111 PolarHBondContact O-N 3.03Å; S108-E112 PolarHBondContact O-N 3.28Å
109E92.2Very high94.7Very high99 Ų9942.7 Ų42.746%0.46321%0.209SC..Hα-helixtrans-67.7-36.7174.3-54.794.8155.800112.3S107 V111 E112 Q113S107-E109 WeakPolarHBondContact CB-OE2 3.37Å; S107-E109 PolarHBondContact O-N 3.04Å; S107-E109 PolarHBondContact OG-N 2.77Å; S107-E109 PolarHBondContact OG-OE2 3.03Å; E109-V111 VanDerWaalsContact C-N 3.32Å; E109-E112 PolarHBondContact O-N 2.81Å; E109-Q113 PolarHBondContact O-N 3.48Å
110E94.5Very high94.9Very high37 Ų3739.4 Ų39.417%0.17320%0.201CC..Hα-helixtrans-66.8-33.6173.7-74.7-179.1119.600111.7K104 I106 S107 Q113 M114 L474K104-E110 IonicContact NZ-OE1 3.99Å; I106-E110 WeakPolarHBondContact CA-OE2 3.5Å; I106-E110 HydrophobicContact CB-CB 3.91Å; I106-E110 VanDerWaalsContact CB-OE2 3.24Å; I106-E110 WeakPolarHBondContact CB-OE2 3.46Å; I106-E110 HydrophobicContact CD1-CB 4.22Å; S107-E110 PolarHBondContact N-OE2 2.7Å; S107-E110 PolarHBondContact O-N 3.3Å; S107-E110 PolarHBondContact OG-N 2.96Å; E110-Q113 PolarHBondContact O-N 3.46Å; E110-M114 WeakPolarHBondContact O-CB 3.47Å; E110-M114 PolarHBondContact O-N 3.23Å; E110-L474 HydrophobicContact CB-CB 4.28Å; E110-L474 HydrophobicContact CB-CD1 3.98Å; E110-L474 HydrophobicContact CG-CB 4.11Å; E110-L474 HydrophobicContact CG-CD1 4.45Å
111V96.4Very high95.1Very high9 Ų937.4 Ų37.46%0.05519%0.191CC..Hα-helixtrans-65.1-46.3173.2172.80000111.1I106 S107 S108 E109 Q113 M114 H115 L140 Y151I106-V111 HydrophobicContact CD1-CB 4.49Å; I106-V111 HydrophobicContact CD1-CG2 3.53Å; I106-V111 HydrophobicContact CG1-CG2 3.96Å; S107-V111 WeakPolarHBondContact O-CG2 3.4Å; S107-V111 PolarHBondContact O-N 3.41Å; S108-V111 WeakPolarHBondContact O-CB 3.12Å; S108-V111 PolarHBondContact O-N 3.03Å; E109-V111 VanDerWaalsContact C-N 3.32Å; V111-Q113 VanDerWaalsContact C-N 3.3Å; V111-Q113 PolarHBondContact O-N 3.42Å; V111-M114 WeakPolarHBondContact O-CB 3.32Å; V111-M114 PolarHBondContact O-N 2.94Å; V111-H115 PolarHBondContact O-CD2 3.24Å; V111-H115 PolarHBondContact O-N 2.93Å; V111-L140 HydrophobicContact CG1-CD2 4.36Å; V111-L140 HydrophobicContact CG2-CD1 4.35Å; V111-Y151 HydrophobicContact CG2-CD1 3.61Å; V111-Y151 HydrophobicContact CG2-CD2 4.36Å; V111-Y151 HydrophobicContact CG2-CE1 4.34Å; V111-Y151 HydrophobicContact CG2-CG 3.62Å
112E95.1Very high95.2Very high119 Ų11938.7 Ų38.756%0.55620%0.196SC*.Hα-helixtrans-59.5-44.4176-166.8-167.1167.900110.8S108 E109 M114 H115 Q116S108-E112 PolarHBondContact O-N 3.28Å; E109-E112 PolarHBondContact O-N 2.81Å; E112-M114 VanDerWaalsContact C-N 3.33Å; E112-M114 PolarHBondContact O-N 3.21Å; E112-H115 PolarHBondContact O-N 3.36Å; E112-Q116 WeakPolarHBondContact O-CG 3.39Å; E112-Q116 PolarHBondContact O-N 3.4Å; E112-Q116 PolarHBondContact OE1-NE2 2.99Å
113Q94.2Very high95.3Very high14 Ų1440.4 Ų40.47%0.06521%0.209CC..Hα-helixtrans-63-39.6176.4-175.253.646.300112.5E109 E110 V111 H115 Q116 M117 L277 L474 R476E109-Q113 PolarHBondContact O-N 3.48Å; E110-Q113 PolarHBondContact O-N 3.46Å; V111-Q113 VanDerWaalsContact C-N 3.3Å; V111-Q113 PolarHBondContact O-N 3.42Å; Q113-H115 VanDerWaalsContact C-N 3.34Å; Q113-Q116 PolarHBondContact O-N 2.83Å; Q113-M117 WeakPolarHBondContact O-CG 3.17Å; Q113-M117 PolarHBondContact O-N 2.83Å; Q113-L277 HydrophobicContact CG-CD2 4.27Å; Q113-L474 WeakPolarHBondContact CG-O 3.34Å; Q113-R476 HydrophobicContact CG-CB 4.33Å
114M96.1Very high95.4Very high1 Ų142.2 Ų42.21%0.00522%0.215CC..Hα-helixtrans-60-45175.2-175.566.4-150.900110.7F57 E110 V111 E112 Q116 M117 L118 F137 L140 L474F57-M114 HydrophobicContact CE1-CE 4.38Å; F57-M114 HydrophobicContact CZ-CE 4.2Å; E110-M114 WeakPolarHBondContact O-CB 3.47Å; E110-M114 PolarHBondContact O-N 3.23Å; V111-M114 WeakPolarHBondContact O-CB 3.32Å; V111-M114 PolarHBondContact O-N 2.94Å; E112-M114 VanDerWaalsContact C-N 3.33Å; E112-M114 PolarHBondContact O-N 3.21Å; M114-Q116 PolarHBondContact O-N 2.88Å; M114-M117 PolarHBondContact O-N 2.66Å; M114-M117 HydrophobicContact SD-CE 3.94Å; M114-L118 HydrophobicContact CE-CB 4.46Å; M114-L118 HydrophobicContact CE-CD1 3.51Å; M114-L118 VanDerWaalsContact O-CB 3.29Å; M114-L118 WeakPolarHBondContact O-CB 3.47Å; M114-L118 PolarHBondContact O-N 3.32Å; M114-F137 HydrophobicContact CE-CB 4.34Å; M114-F137 HydrophobicContact CE-CD2 3.58Å; M114-F137 HydrophobicContact CE-CE2 4.08Å; M114-F137 HydrophobicContact CE-CG 4.11Å; M114-F137 HydrophobicContact SD-CD2 3.93Å; M114-F137 HydrophobicContact SD-CE2 3.89Å; M114-F137 HydrophobicContact SD-CG 4.41Å; M114-F137 HydrophobicContact SD-CZ 4.35Å; M114-L140 HydrophobicContact CB-CD2 4.44Å; M114-L140 HydrophobicContact CG-CD2 4.05Å; M114-L474 HydrophobicContact CB-CD2 4.21Å; M114-L474 HydrophobicContact SD-CD2 3.96Å
115H95.7Very high95.5Very high63 Ų6341.7 Ų41.729%0.29221%0.213SC..Hα-helixtrans-62.4-39.5175.1-86.3-70.3000112.9Y52 C53 V111 E112 Q113 M117Y52-H115 AromaticContact CD1-CE1 3.77Å; Y52-H115 AromaticContact CD1-NE2 3.14Å; Y52-H115 WeakPolarHBondContact CD1-NE2 2.88Å; Y52-H115 AromaticContact CE1-NE2 3.76Å; Y52-H115 AromaticContact CG-NE2 3.71Å; C53-H115 VanDerWaalsContact SG-CE1 3.51Å; V111-H115 PolarHBondContact O-CD2 3.24Å; V111-H115 PolarHBondContact O-N 2.93Å; E112-H115 PolarHBondContact O-N 3.36Å; Q113-H115 VanDerWaalsContact C-N 3.34Å; H115-M117 VanDerWaalsContact C-N 3.28Å; H115-M117 PolarHBondContact O-N 3Å
116Q94Very high95.6Very high79 Ų7942.1 Ų42.137%0.36922%0.216SC..Hα-helixtrans-64.3-29178.7-73.8175.332.700113.5E112 Q113 M114E112-Q116 WeakPolarHBondContact O-CG 3.39Å; E112-Q116 PolarHBondContact O-N 3.4Å; E112-Q116 PolarHBondContact OE1-NE2 2.99Å; Q113-Q116 PolarHBondContact O-N 2.83Å; M114-Q116 PolarHBondContact O-N 2.88Å
117M94.7Very high95.6Very high0 Ų049.2 Ų49.20%025%0.246CC..Hα-helixtrans-107.5-3.1-176.973.7-178.4-133.900114.1Q113 M114 H115 E119 E120 Y121 F137 L277 I473 L474Q113-M117 WeakPolarHBondContact O-CG 3.17Å; Q113-M117 PolarHBondContact O-N 2.83Å; M114-M117 PolarHBondContact O-N 2.66Å; M114-M117 HydrophobicContact SD-CE 3.94Å; H115-M117 VanDerWaalsContact C-N 3.28Å; H115-M117 PolarHBondContact O-N 3Å; M117-E119 PolarHBondContact O-N 2.81Å; M117-E120 PolarHBondContact O-N 3.25Å; M117-Y121 WeakPolarHBondContact O-CB 3.29Å; M117-Y121 PolarHBondContact O-N 2.92Å; M117-F137 HydrophobicContact CE-CE2 3.66Å; M117-F137 HydrophobicContact CE-CZ 4.3Å; M117-L277 HydrophobicContact SD-CD1 3.82Å; M117-L277 HydrophobicContact SD-CD2 4.46Å; M117-I473 HydrophobicContact CE-CD1 3.76Å; M117-I473 HydrophobicContact CE-CG1 4.25Å; M117-L474 HydrophobicContact CE-CD2 3.78Å; M117-L474 HydrophobicContact SD-CD2 3.86Å
118L97.1Very high95.5Very high3 Ų348.5 Ų48.52%0.01625%0.246CC..Hα-helixtrans-66.8-36.2-169.7-179.764.2000112.6F25 C53 V56 F57 L60 M114 Y122F25-L118 HydrophobicContact CD1-CB 4.39Å; F25-L118 HydrophobicContact CD1-CD2 4.05Å; F25-L118 HydrophobicContact CD1-CG 3.86Å; F25-L118 HydrophobicContact CE1-CG 4.19Å; C53-L118 HydrophobicContact CB-CD2 3.77Å; C53-L118 VanDerWaalsContact SG-CD2 3.53Å; V56-L118 HydrophobicContact CB-CD2 4.48Å; V56-L118 HydrophobicContact CG1-CD1 4.02Å; V56-L118 HydrophobicContact CG1-CD2 4.1Å; V56-L118 HydrophobicContact CG1-CG 4.07Å; F57-L118 HydrophobicContact CZ-CD1 4.24Å; L60-L118 HydrophobicContact CD1-CD1 4.31Å; M114-L118 HydrophobicContact CE-CB 4.46Å; M114-L118 HydrophobicContact CE-CD1 3.51Å; M114-L118 VanDerWaalsContact O-CB 3.29Å; M114-L118 WeakPolarHBondContact O-CB 3.47Å; M114-L118 PolarHBondContact O-N 3.32Å; L118-Y122 VanDerWaalsContact O-CB 3.28Å; L118-Y122 WeakPolarHBondContact O-CB 3.36Å; L118-Y122 PolarHBondContact O-N 2.9Å
119E96.7Very high95.5Very high85 Ų8553 Ų5340%0.39726%0.26SS..Hα-helixtrans-67.5-47179.4-169.7172.8170.200110.7F25 M117 Y122 S123F25-E119 HydrophobicContact CD1-CB 4.04Å; F25-E119 HydrophobicContact CE1-CB 4.16Å; F25-E119 HydrophobicContact CE1-CG 4.41Å; F25-E119 HydrophobicContact CG-CB 4.48Å; F25-E119 HydrophobicContact CZ-CG 4.43Å; M117-E119 PolarHBondContact O-N 2.81Å; E119-Y122 PolarHBondContact O-N 3.36Å; E119-S123 WeakPolarHBondContact O-CB 3.1Å; E119-S123 PolarHBondContact O-N 2.91Å
120E96.4Very high95.4Very high90 Ų9048.5 Ų48.542%0.42124%0.239SC..Hα-helixtrans-65.5-44.1175.8-65.677.2-172.400111.3M117 S123 Y124 F271M117-E120 PolarHBondContact O-N 3.25Å; E120-S123 WeakPolarHBondContact O-CB 3.41Å; E120-S123 PolarHBondContact O-N 3.09Å; E120-Y124 WeakPolarHBondContact O-CB 3.11Å; E120-Y124 PolarHBondContact O-N 2.83Å; E120-F271 HydrophobicContact CB-CE2 4.07Å
121Y97.8Very high95.3Very high0 Ų051.7 Ų51.70%025%0.254CS..Hα-helixtrans-58.9-48.8175.5176-97.8000110.7L60 F64 M117 S123 Y124 I125 P135 F137 F271L60-Y121 HydrophobicContact CD1-CD1 4.33Å; L60-Y121 HydrophobicContact CD1-CE1 4.01Å; L60-Y121 HydrophobicContact CD2-CD1 4.36Å; L60-Y121 HydrophobicContact CD2-CE1 3.92Å; F64-Y121 WeakPolarHBondContact CZ-OH 3.13Å; M117-Y121 WeakPolarHBondContact O-CB 3.29Å; M117-Y121 PolarHBondContact O-N 2.92Å; Y121-S123 VanDerWaalsContact C-N 3.34Å; Y121-S123 PolarHBondContact O-N 2.8Å; Y121-Y124 WeakPolarHBondContact O-CB 3.35Å; Y121-Y124 PolarHBondContact O-N 2.8Å; Y121-I125 HydrophobicContact CD1-CG1 4.18Å; Y121-I125 HydrophobicContact CD2-CG1 4.43Å; Y121-I125 HydrophobicContact CE1-CD1 4.46Å; Y121-I125 HydrophobicContact CE1-CG1 3.78Å; Y121-I125 HydrophobicContact CE2-CD1 4.01Å; Y121-I125 HydrophobicContact CE2-CG1 4.08Å; Y121-I125 HydrophobicContact CG-CG1 4.49Å; Y121-I125 WeakPolarHBondContact O-CG1 3.45Å; Y121-I125 PolarHBondContact O-N 3.4Å; Y121-P135 PolarHBondContact OH-O 2.84Å; Y121-F137 HydrophobicContact CD1-CD2 4.29Å; Y121-F137 HydrophobicContact CD2-CD2 4.42Å; Y121-F137 HydrophobicContact CD2-CE2 4.43Å; Y121-F137 HydrophobicContact CE1-CB 4.42Å; Y121-F137 AromaticContact CE1-CD2 3.76Å; Y121-F137 HydrophobicContact CE1-CD2 3.76Å; Y121-F137 AromaticContact CE2-CD2 3.88Å; Y121-F137 HydrophobicContact CE2-CD2 3.88Å; Y121-F137 HydrophobicContact CE2-CE2 4.03Å; Y121-F137 AromaticContact CZ-CD2 3.52Å; Y121-F137 PolarHBondContact OH-N 3.24Å; Y121-F137 VanDerWaalsContact OH-N 3.17Å; Y121-F271 HydrophobicContact CD2-CE1 4.32Å; Y121-F271 HydrophobicContact CD2-CZ 4.2Å
122Y97.5Very high95.3Very high29 Ų2951.5 Ų51.511%0.11425%0.253CS..Hα-helixtrans-58.8-45.8177-179.7-94000111.7L20 F25 V56 S59 L60 R63 L118 E119 Y124 I125 V126L20-Y122 HydrophobicContact CD1-CD1 4.3Å; L20-Y122 HydrophobicContact CD1-CD2 4.03Å; L20-Y122 HydrophobicContact CD1-CE1 3.76Å; L20-Y122 HydrophobicContact CD1-CE2 3.47Å; L20-Y122 VanDerWaalsContact CD1-CE2 3.47Å; L20-Y122 HydrophobicContact CD1-CG 4.42Å; L20-Y122 WeakPolarHBondContact CD1-OH 3.09Å; F25-Y122 HydrophobicContact CE1-CG 4.2Å; F25-Y122 AromaticContact CZ-CD1 3.91Å; F25-Y122 HydrophobicContact CZ-CD1 3.91Å; F25-Y122 AromaticContact CZ-CG 3.98Å; F25-Y122 HydrophobicContact CZ-CG 3.98Å; V56-Y122 HydrophobicContact CG1-CD2 4.08Å; S59-Y122 WeakPolarHBondContact OG-CE2 3.28Å; S59-Y122 PolarHBondContact OG-OH 3.14Å; L60-Y122 HydrophobicContact CD2-CD2 3.81Å; L60-Y122 HydrophobicContact CD2-CE2 4.46Å; L60-Y122 HydrophobicContact CG-CD2 4Å; R63-Y122 PolarHBondContact NE-OH 3.02Å; R63-Y122 PolarHBondContact NH2-OH 2.85Å; R63-Y122 VanDerWaalsContact NH2-OH 3.07Å; L118-Y122 VanDerWaalsContact O-CB 3.28Å; L118-Y122 WeakPolarHBondContact O-CB 3.36Å; L118-Y122 PolarHBondContact O-N 2.9Å; E119-Y122 PolarHBondContact O-N 3.36Å; Y122-Y124 VanDerWaalsContact C-N 3.32Å; Y122-Y124 PolarHBondContact O-N 3.22Å; Y122-I125 PolarHBondContact O-N 2.82Å; Y122-V126 HydrophobicContact CD1-CG2 3.89Å; Y122-V126 HydrophobicContact CE1-CG2 3.53Å; Y122-V126 HydrophobicContact CE2-CG2 4.33Å; Y122-V126 HydrophobicContact CG-CG2 4.44Å; Y122-V126 WeakPolarHBondContact O-CG2 3.32Å; Y122-V126 PolarHBondContact O-N 3.36Å
123S96.6Very high95.4Very high51 Ų5146.6 Ų46.636%0.35723%0.23SC..Hα-helixtrans-58.7-42.3175.9-172.70000112.2E119 E120 Y121 V126 K127E119-S123 WeakPolarHBondContact O-CB 3.1Å; E119-S123 PolarHBondContact O-N 2.91Å; E120-S123 WeakPolarHBondContact O-CB 3.41Å; E120-S123 PolarHBondContact O-N 3.09Å; Y121-S123 VanDerWaalsContact C-N 3.34Å; Y121-S123 PolarHBondContact O-N 2.8Å; S123-V126 PolarHBondContact O-N 2.51Å; S123-K127 VanDerWaalsContact O-CG 3.31Å; S123-K127 WeakPolarHBondContact O-CG 3.28Å; S123-K127 PolarHBondContact O-N 3.03Å
124Y97.4Very high95.6Very high41 Ų4145.9 Ų45.916%0.16123%0.227CC..Hα-helixtrans-62.2-47.8176.4-177-105.1000112E120 Y121 Y122 V126 K127 G128 L134 C267 D268 F271E120-Y124 WeakPolarHBondContact O-CB 3.11Å; E120-Y124 PolarHBondContact O-N 2.83Å; Y121-Y124 WeakPolarHBondContact O-CB 3.35Å; Y121-Y124 PolarHBondContact O-N 2.8Å; Y122-Y124 VanDerWaalsContact C-N 3.32Å; Y122-Y124 PolarHBondContact O-N 3.22Å; Y124-V126 VanDerWaalsContact C-N 3.33Å; Y124-V126 PolarHBondContact O-N 2.88Å; Y124-K127 PolarHBondContact O-N 3.02Å; Y124-G128 PolarHBondContact O-N 2.96Å; Y124-L134 HydrophobicContact CD1-CD1 3.89Å; Y124-L134 HydrophobicContact CE1-CD1 3.61Å; Y124-C267 WeakPolarHBondContact OH-CB 3.49Å; Y124-C267 PolarHBondContact OH-O 2.81Å; Y124-D268 VanDerWaalsContact CE1-OD1 3.32Å; Y124-D268 WeakPolarHBondContact CE1-OD1 3.43Å; Y124-D268 VanDerWaalsContact CZ-OD1 3.32Å; Y124-D268 WeakPolarHBondContact OH-CA 3.43Å; Y124-D268 PolarHBondContact OH-N 2.84Å; Y124-D268 VanDerWaalsContact OH-N 3.12Å; Y124-D268 PolarHBondContact OH-OD1 2.76Å; Y124-F271 HydrophobicContact CD1-CD2 4.29Å; Y124-F271 HydrophobicContact CD1-CG 4.2Å; Y124-F271 HydrophobicContact CD2-CB 3.92Å; Y124-F271 AromaticContact CD2-CD2 3.88Å; Y124-F271 HydrophobicContact CD2-CD2 3.88Å; Y124-F271 HydrophobicContact CD2-CG 4.08Å; Y124-F271 HydrophobicContact CE1-CB 4.48Å; Y124-F271 HydrophobicContact CE2-CB 3.85Å; Y124-F271 HydrophobicContact CE2-CG 4.42Å; Y124-F271 HydrophobicContact CG-CB 4.29Å; Y124-F271 AromaticContact CG-CD2 3.69Å; Y124-F271 HydrophobicContact CG-CD2 3.69Å; Y124-F271 HydrophobicContact CG-CE2 4.23Å; Y124-F271 AromaticContact CG-CG 3.98Å; Y124-F271 HydrophobicContact CG-CG 3.98Å
125I97.3Very high95.6Very high3 Ų346.3 Ų46.32%0.01523%0.23CC..Hα-helixtrans-61.8-39.6177.4-64.2-51.3000112L60 R63 F64 Y121 Y122 H129 G130 T132L60-I125 HydrophobicContact CD2-CB 4.21Å; L60-I125 HydrophobicContact CD2-CG1 4.2Å; L60-I125 HydrophobicContact CD2-CG2 4.06Å; R63-I125 HydrophobicContact CB-CG2 4.31Å; F64-I125 HydrophobicContact CD1-CG2 4.38Å; F64-I125 HydrophobicContact CE1-CD1 3.83Å; F64-I125 HydrophobicContact CE1-CG1 4.17Å; F64-I125 HydrophobicContact CE1-CG2 3.58Å; F64-I125 HydrophobicContact CZ-CB 4.43Å; F64-I125 HydrophobicContact CZ-CD1 3.76Å; F64-I125 HydrophobicContact CZ-CG1 3.79Å; F64-I125 HydrophobicContact CZ-CG2 3.74Å; Y121-I125 HydrophobicContact CD1-CG1 4.18Å; Y121-I125 HydrophobicContact CD2-CG1 4.43Å; Y121-I125 HydrophobicContact CE1-CD1 4.46Å; Y121-I125 HydrophobicContact CE1-CG1 3.78Å; Y121-I125 HydrophobicContact CE2-CD1 4.01Å; Y121-I125 HydrophobicContact CE2-CG1 4.08Å; Y121-I125 HydrophobicContact CG-CG1 4.49Å; Y121-I125 WeakPolarHBondContact O-CG1 3.45Å; Y121-I125 PolarHBondContact O-N 3.4Å; Y122-I125 PolarHBondContact O-N 2.82Å; I125-H129 PolarHBondContact O-N 3.44Å; I125-H129 VanDerWaalsContact O-N 3.1Å; I125-G130 PolarHBondContact O-N 3.46Å; I125-T132 HydrophobicContact CD1-CG2 3.63Å
126V95.6Very high95.7Very high46 Ų4643.4 Ų43.428%0.27922%0.217SC..Hα-helixtrans-62.6-47.2176.6175.70000110.8R63 Y122 S123 Y124 H129R63-V126 VanDerWaalsContact CZ-CG2 3.43Å; Y122-V126 HydrophobicContact CD1-CG2 3.89Å; Y122-V126 HydrophobicContact CE1-CG2 3.53Å; Y122-V126 HydrophobicContact CE2-CG2 4.33Å; Y122-V126 HydrophobicContact CG-CG2 4.44Å; Y122-V126 WeakPolarHBondContact O-CG2 3.32Å; Y122-V126 PolarHBondContact O-N 3.36Å; S123-V126 PolarHBondContact O-N 2.51Å; Y124-V126 VanDerWaalsContact C-N 3.33Å; Y124-V126 PolarHBondContact O-N 2.88Å; V126-H129 PolarHBondContact O-N 2.81Å
127K95.1Very high95.9Very high158 Ų15839.9 Ų39.969%0.68720%0.2SC*.Hα-helixtrans-66.6-40.5-179.6-71.2172.2-175.51770112.4S123 Y124 H129S123-K127 VanDerWaalsContact O-CG 3.31Å; S123-K127 WeakPolarHBondContact O-CG 3.28Å; S123-K127 PolarHBondContact O-N 3.03Å; Y124-K127 PolarHBondContact O-N 3.02Å; K127-H129 VanDerWaalsContact C-N 3.3Å; K127-H129 PolarHBondContact O-N 3.1Å
128G92.6Very high96.1Very high29 Ų2939.9 Ų39.930%0.29920%0.2SC..THydrogen-bonded Turntrans-83.52.9179.600000114.7Y124 G130 Q131Y124-G128 PolarHBondContact O-N 2.96Å; G128-G130 PolarHBondContact O-N 3.46Å; G128-G130 VanDerWaalsContact O-N 3.16Å; G128-Q131 WeakPolarHBondContact O-CB 3.35Å; G128-Q131 PolarHBondContact O-N 2.95Å
129H93Very high96.1Very high158 Ų15839.7 Ų39.773%0.73120%0.199SC*.THydrogen-bonded Turntrans50.537.1-174.9-59.5-75.4000113.7I125 V126 K127 Q131I125-H129 PolarHBondContact O-N 3.44Å; I125-H129 VanDerWaalsContact O-N 3.1Å; V126-H129 PolarHBondContact O-N 2.81Å; K127-H129 VanDerWaalsContact C-N 3.3Å; K127-H129 PolarHBondContact O-N 3.1Å; H129-Q131 PolarHBondContact O-N 3.35Å; H129-Q131 VanDerWaalsContact O-N 3.16Å
130G90Very high96.2Very high3 Ų335.8 Ų35.83%0.03118%0.181CC..THydrogen-bonded Turntrans69.52.4-177.600000115.7I125 G128 T132 H451I125-G130 PolarHBondContact O-N 3.46Å; G128-G130 PolarHBondContact O-N 3.46Å; G128-G130 VanDerWaalsContact O-N 3.16Å; G130-T132 PolarHBondContact O-N 3.2Å; G130-H451 PolarHBondContact O-CE1 3.12Å; G130-H451 VanDerWaalsContact O-CE1 3.3Å
131Q92.4Very high96.3Very high105 Ų10531.7 Ų31.749%0.49116%0.162SC..  trans-8488.4177.1-60.7-63.1-58.600109.9G128 H129G128-Q131 WeakPolarHBondContact O-CB 3.35Å; G128-Q131 PolarHBondContact O-N 2.95Å; H129-Q131 PolarHBondContact O-N 3.35Å; H129-Q131 VanDerWaalsContact O-N 3.16Å
132T96.5Very high96.3Very high5 Ų533.5 Ų33.53%0.03117%0.168CC..  trans-146.4153.3-178.5176.50000110.3I125 G130 L134 D268 H451I125-T132 HydrophobicContact CD1-CG2 3.63Å; G130-T132 PolarHBondContact O-N 3.2Å; T132-L134 HydrophobicContact CG2-CB 4.25Å; T132-L134 VanDerWaalsContact OG1-CB 3.29Å; T132-L134 WeakPolarHBondContact OG1-CB 3.44Å; T132-L134 VanDerWaalsContact OG1-CG 3.29Å; T132-L134 WeakPolarHBondContact OG1-CG 3.33Å; T132-L134 PolarHBondContact OG1-N 3.26Å; T132-D268 WeakPolarHBondContact CB-OD1 3.48Å; T132-D268 PolarHBondContact OG1-OD1 3.31Å; T132-D268 PolarHBondContact OG1-OD2 2.64Å; T132-H451 PolarHBondContact O-NE2 2.84Å
133L96.8Very high96.2Very high15 Ų1535.4 Ų35.48%0.07918%0.18CC..SBendtrans-87.2-6.8168.1-56.4177.5000112M261 T264 L265 D268 Y452 V468 A469 I470L133-M261 HydrophobicContact CD1-CG 4.27Å; L133-T264 HydrophobicContact CG-CG2 4.04Å; L133-L265 HydrophobicContact CD1-CB 3.99Å; L133-L265 HydrophobicContact CD1-CD1 4.12Å; L133-D268 WeakPolarHBondContact CA-OD2 3.29Å; L133-D268 VanDerWaalsContact CB-OD2 3.26Å; L133-D268 WeakPolarHBondContact CB-OD2 3.4Å; L133-D268 PolarHBondContact N-OD2 2.97Å; L133-Y452 HydrophobicContact CD2-CD1 4.5Å; L133-V468 WeakPolarHBondContact CD2-O 3.41Å; L133-A469 CarbonylContact O-C 3.5Å; L133-A469 WeakPolarHBondContact O-CA 3.2Å; L133-I470 HydrophobicContact CB-CG1 4.31Å; L133-I470 PolarHBondContact O-N 3.21Å
134L97.6Very high96.2Very high0 Ų033.3 Ų33.30%017%0.165CC..SBendtrans-62.7156.6173-62.8173.9000111.1Y124 T132 Q136 D268 F271 L272 Y452 I470 I473Y124-L134 HydrophobicContact CD1-CD1 3.89Å; Y124-L134 HydrophobicContact CE1-CD1 3.61Å; T132-L134 HydrophobicContact CG2-CB 4.25Å; T132-L134 VanDerWaalsContact OG1-CB 3.29Å; T132-L134 WeakPolarHBondContact OG1-CB 3.44Å; T132-L134 VanDerWaalsContact OG1-CG 3.29Å; T132-L134 WeakPolarHBondContact OG1-CG 3.33Å; T132-L134 PolarHBondContact OG1-N 3.26Å; L134-Q136 PolarHBondContact O-N 3.14Å; L134-D268 HydrophobicContact CD2-CB 4.2Å; L134-D268 HydrophobicContact CG-CB 4.04Å; L134-F271 HydrophobicContact CD1-CD1 3.55Å; L134-F271 HydrophobicContact CD1-CE1 3.9Å; L134-F271 HydrophobicContact CD1-CG 4.37Å; L134-L272 HydrophobicContact CD2-CD1 3.94Å; L134-L272 HydrophobicContact CD2-CD2 3.88Å; L134-L272 HydrophobicContact CD2-CG 3.98Å; L134-Y452 PolarHBondContact O-OH 3.31Å; L134-I470 HydrophobicContact CD2-CB 4.34Å; L134-I470 HydrophobicContact CD2-CD1 3.98Å; L134-I470 HydrophobicContact CD2-CG2 4.43Å; L134-I473 HydrophobicContact CD2-CD1 4.29Å; L134-I473 HydrophobicContact CD2-CG2 4.3Å
135P97.5Very high96Very high9 Ų933.9 Ų33.96%0.05817%0.173CC..  trans-57.6130.2171.9-2233.6000110.6Y121 F137 M155 I470 I473Y121-P135 PolarHBondContact OH-O 2.84Å; P135-F137 HydrophobicContact CB-CD1 4.22Å; P135-F137 HydrophobicContact CB-CE1 3.66Å; P135-F137 HydrophobicContact CB-CZ 3.89Å; P135-F137 HydrophobicContact CG-CE1 4.34Å; P135-F137 HydrophobicContact CG-CZ 4.23Å; P135-F137 PolarHBondContact O-N 3.26Å; P135-M155 HydrophobicContact CB-SD 4.26Å; P135-I470 VanDerWaalsContact CD-O 3.24Å; P135-I470 WeakPolarHBondContact CD-O 3.29Å; P135-I470 VanDerWaalsContact CG-O 3.31Å; P135-I470 WeakPolarHBondContact CG-O 3.44Å; P135-I473 HydrophobicContact CG-CD1 4.36Å; P135-I473 HydrophobicContact CG-CG1 4.29Å
136Q97.6Very high95.5Very high3 Ų339.5 Ų39.51%0.01420%0.203CC..  trans-82.599172.6-68.2-175-3.500109.4F64 L134 L138 M155 R156 H451 Y452F64-Q136 HydrophobicContact CD1-CB 4.2Å; F64-Q136 VanDerWaalsContact CD1-CD 3.44Å; F64-Q136 HydrophobicContact CD1-CG 3.67Å; F64-Q136 HydrophobicContact CD2-CB 3.87Å; F64-Q136 HydrophobicContact CD2-CG 4.26Å; F64-Q136 HydrophobicContact CE1-CB 4.13Å; F64-Q136 HydrophobicContact CE1-CG 3.58Å; F64-Q136 HydrophobicContact CE2-CB 3.77Å; F64-Q136 HydrophobicContact CE2-CG 4.17Å; F64-Q136 HydrophobicContact CG-CB 4.08Å; F64-Q136 HydrophobicContact CG-CG 4.02Å; F64-Q136 HydrophobicContact CZ-CB 3.91Å; F64-Q136 HydrophobicContact CZ-CG 3.83Å; L134-Q136 PolarHBondContact O-N 3.14Å; Q136-L138 WeakPolarHBondContact O-CG 3.46Å; Q136-M155 CarbonylContact O-C 3.57Å; Q136-M155 WeakPolarHBondContact O-CA 3.46Å; Q136-M155 WeakPolarHBondContact O-CB 3.32Å; Q136-R156 HydrophobicContact CB-CB 4.03Å; Q136-R156 PolarHBondContact O-N 2.94Å; Q136-R156 VanDerWaalsContact O-N 3.1Å; Q136-H451 PolarHBondContact NE2-CD2 3.37Å; Q136-H451 VanDerWaalsContact NE2-CD2 3.33Å; Q136-H451 PolarHBondContact NE2-CE1 2.92Å; Q136-H451 VanDerWaalsContact NE2-CE1 3.29Å; Q136-H451 PolarHBondContact NE2-ND1 2.65Å; Q136-H451 PolarHBondContact NE2-NE2 2.82Å; Q136-Y452 PolarHBondContact N-OH 3.45Å
137F98.1Very high95.1Very high4 Ų444 Ų442%0.01823%0.225CC..EExtended strand (participates in β ladder)trans-79.3130.3-179.2-56.5-57.8000111.7F57 M114 M117 Y121 P135 L153 M155 I473F57-F137 HydrophobicContact CE1-CB 3.96Å; M114-F137 HydrophobicContact CE-CB 4.34Å; M114-F137 HydrophobicContact CE-CD2 3.58Å; M114-F137 HydrophobicContact CE-CE2 4.08Å; M114-F137 HydrophobicContact CE-CG 4.11Å; M114-F137 HydrophobicContact SD-CD2 3.93Å; M114-F137 HydrophobicContact SD-CE2 3.89Å; M114-F137 HydrophobicContact SD-CG 4.41Å; M114-F137 HydrophobicContact SD-CZ 4.35Å; M117-F137 HydrophobicContact CE-CE2 3.66Å; M117-F137 HydrophobicContact CE-CZ 4.3Å; Y121-F137 HydrophobicContact CD1-CD2 4.29Å; Y121-F137 HydrophobicContact CD2-CD2 4.42Å; Y121-F137 HydrophobicContact CD2-CE2 4.43Å; Y121-F137 HydrophobicContact CE1-CB 4.42Å; Y121-F137 AromaticContact CE1-CD2 3.76Å; Y121-F137 HydrophobicContact CE1-CD2 3.76Å; Y121-F137 AromaticContact CE2-CD2 3.88Å; Y121-F137 HydrophobicContact CE2-CD2 3.88Å; Y121-F137 HydrophobicContact CE2-CE2 4.03Å; Y121-F137 AromaticContact CZ-CD2 3.52Å; Y121-F137 PolarHBondContact OH-N 3.24Å; Y121-F137 VanDerWaalsContact OH-N 3.17Å; P135-F137 HydrophobicContact CB-CD1 4.22Å; P135-F137 HydrophobicContact CB-CE1 3.66Å; P135-F137 HydrophobicContact CB-CZ 3.89Å; P135-F137 HydrophobicContact CG-CE1 4.34Å; P135-F137 HydrophobicContact CG-CZ 4.23Å; P135-F137 PolarHBondContact O-N 3.26Å; F137-L153 HydrophobicContact CB-CD1 4.45Å; F137-L153 HydrophobicContact CD1-CD1 3.9Å; F137-L153 HydrophobicContact CD1-CD2 3.71Å; F137-L153 HydrophobicContact CD1-CG 3.87Å; F137-L153 HydrophobicContact CE1-CD1 4.5Å; F137-L153 HydrophobicContact CE1-CD2 3.49Å; F137-L153 VanDerWaalsContact CE1-CD2 3.49Å; F137-L153 HydrophobicContact CE1-CG 4.16Å; F137-L153 HydrophobicContact CG-CD1 4.34Å; F137-L153 HydrophobicContact CZ-CD2 4.31Å; F137-M155 HydrophobicContact CD1-CB 4.28Å; F137-M155 HydrophobicContact CD1-CE 4.46Å; F137-M155 HydrophobicContact CE1-CE 4.22Å; F137-I473 HydrophobicContact CE2-CD1 3.86Å; F137-I473 HydrophobicContact CE2-CG1 4.41Å; F137-I473 HydrophobicContact CZ-CD1 3.83Å; F137-I473 HydrophobicContact CZ-CG1 3.91Å
138L97.8Very high95.1Very high0 Ų043.1 Ų43.10%022%0.224CC..EExtended strand (participates in β ladder)trans-122.2-11.8-169.2-52.6177.5000114R61 F64 V66 Y71 F101 Q136 V154R61-L138 HydrophobicContact CG-CB 4.09Å; R61-L138 HydrophobicContact CG-CD2 4.05Å; R61-L138 PolarHBondContact NH1-O 3.47Å; F64-L138 HydrophobicContact CD2-CD2 3.66Å; F64-L138 HydrophobicContact CE2-CD2 4.37Å; V66-L138 HydrophobicContact CG2-CD1 4.24Å; V66-L138 HydrophobicContact CG2-CD2 4Å; Y71-L138 HydrophobicContact CD2-CB 4.47Å; Y71-L138 HydrophobicContact CD2-CD1 4.24Å; Y71-L138 HydrophobicContact CE2-CB 3.69Å; Y71-L138 HydrophobicContact CE2-CD1 3.99Å; F101-L138 HydrophobicContact CD1-CD1 3.31Å; F101-L138 HydrophobicContact CE1-CD1 3.41Å; F101-L138 VanDerWaalsContact CE1-CD1 3.41Å; F101-L138 HydrophobicContact CG-CD1 4.37Å; Q136-L138 WeakPolarHBondContact O-CG 3.46Å; L138-V154 HydrophobicContact CB-CG1 4.24Å; L138-V154 PolarHBondContact N-O 3.18Å
139G97.9Very high95.2Very high0 Ų045.5 Ų45.50%023%0.227CC..EExtended strand (participates in β ladder)trans179.5146.1177.400000112.1V154G139-V154 PolarHBondContact O-N 3.42Å
140L98.4Very high95.3Very high2 Ų240.6 Ų40.61%0.0121%0.21CC..EExtended strand (participates in β ladder)trans-129.1123.4177.2176.961.4000109.4Y52 F57 I106 V111 M114 L153Y52-L140 HydrophobicContact CD2-CD2 4.2Å; Y52-L140 HydrophobicContact CD2-CG 3.82Å; Y52-L140 HydrophobicContact CG-CD2 4.18Å; Y52-L140 HydrophobicContact CG-CG 4.23Å; Y52-L140 PolarHBondContact N-O 3.42Å; F57-L140 HydrophobicContact CD2-CB 4.49Å; F57-L140 HydrophobicContact CE2-CB 3.57Å; F57-L140 HydrophobicContact CZ-CB 3.6Å; I106-L140 HydrophobicContact CD1-CD1 3.86Å; V111-L140 HydrophobicContact CG1-CD2 4.36Å; V111-L140 HydrophobicContact CG2-CD1 4.35Å; M114-L140 HydrophobicContact CB-CD2 4.44Å; M114-L140 HydrophobicContact CG-CD2 4.05Å; L140-L153 HydrophobicContact CB-CD1 4.3Å; L140-L153 HydrophobicContact CD1-CB 4.36Å; L140-L153 HydrophobicContact CD1-CD1 4.1Å
141Y98.1Very high95.6Very high5 Ų542.2 Ų42.22%0.0222%0.216CC..EExtended strand (participates in β ladder)trans-131.5146.5-170.1-51.4-70.3000111.7I4 F49 K50 E51 Y71 Y151 I152 V154I4-Y141 HydrophobicContact CD1-CE2 4.39Å; I4-Y141 HydrophobicContact CG1-CE2 4.38Å; F49-Y141 HydrophobicContact CE1-CD1 4.48Å; F49-Y141 AromaticContact CE2-CD1 3.68Å; F49-Y141 HydrophobicContact CE2-CD1 3.68Å; F49-Y141 HydrophobicContact CE2-CE1 4.43Å; F49-Y141 HydrophobicContact CE2-CG 4.11Å; F49-Y141 AromaticContact CZ-CD1 3.4Å; F49-Y141 HydrophobicContact CZ-CD1 3.4Å; F49-Y141 AromaticContact CZ-CE1 3.83Å; F49-Y141 HydrophobicContact CZ-CE1 3.83Å; F49-Y141 HydrophobicContact CZ-CG 4.27Å; K50-Y141 CarbonylContact O-C 3.59Å; K50-Y141 VanDerWaalsContact O-CA 3.29Å; K50-Y141 WeakPolarHBondContact O-CA 3.11Å; E51-Y141 HydrophobicContact CB-CD1 3.91Å; E51-Y141 HydrophobicContact CB-CE1 3.99Å; E51-Y141 HydrophobicContact CG-CD1 3.94Å; E51-Y141 HydrophobicContact CG-CE1 3.6Å; E51-Y141 WeakPolarHBondContact OE1-CE1 3.37Å; E51-Y141 PolarHBondContact OE1-OH 3.27Å; Y71-Y141 PolarHBondContact OH-OH 3.47Å; Y141-Y151 CarbonylContact O-C 3.45Å; Y141-Y151 WeakPolarHBondContact O-CA 3.41Å; Y141-I152 PolarHBondContact N-O 2.78Å; Y141-I152 PolarHBondContact O-N 3.15Å; Y141-V154 HydrophobicContact CD2-CG2 4.01Å; Y141-V154 HydrophobicContact CE2-CB 4.39Å; Y141-V154 HydrophobicContact CE2-CG2 3.62Å
142R98.1Very high95.8Very high38 Ų3838.1 Ų38.114%0.14320%0.197CC..EExtended strand (participates in β ladder)trans-115.4129.9162.9174.6178.276.6169.1-5.7109.6K50 Y52 E149 S150 Y151K50-R142 HydrophobicContact CB-CB 4.22Å; K50-R142 PolarHBondContact N-O 2.95Å; K50-R142 PolarHBondContact O-N 3.27Å; Y52-R142 HydrophobicContact CE2-CB 3.75Å; R142-E149 WeakPolarHBondContact CD-OE2 3.14Å; R142-E149 IonicContact CZ-OE1 3.93Å; R142-E149 IonicContact CZ-OE2 3.61Å; R142-E149 IonicContact NE-OE1 3.04Å; R142-E149 IonicContact NH1-OE1 2.65Å; R142-E149 PolarHBondContact NH1-OE1 3.13Å; R142-E149 IonicContact NH1-OE2 3.07Å; R142-E149 PolarHBondContact NH1-OE2 2.9Å; R142-E149 VanDerWaalsContact NH1-OE2 3.14Å; R142-S150 WeakPolarHBondContact CA-O 3.49Å; R142-Y151 HydrophobicContact CB-CD1 3.84Å; R142-Y151 HydrophobicContact CB-CE1 4.02Å; R142-Y151 HydrophobicContact CG-CD1 4Å; R142-Y151 HydrophobicContact CG-CE1 3.81Å
143L96.6Very high95.9Very high68 Ų6837.9 Ų37.936%0.35620%0.196SC..EExtended strand (participates in β ladder)trans-110.1128.9173.8-56.9174.5000108F49 E149 S150 I152F49-L143 HydrophobicContact CD2-CD2 3.62Å; F49-L143 HydrophobicContact CE2-CD2 4.21Å; L143-E149 CarbonylContact O-C 3.53Å; L143-E149 WeakPolarHBondContact O-CA 3.11Å; L143-S150 PolarHBondContact N-O 2.94Å; L143-S150 PolarHBondContact O-N 3.29Å; L143-I152 HydrophobicContact CD1-CG1 4.06Å
144T96.4Very high95.9Very high7 Ų737.2 Ų37.24%0.04319%0.192CC..EExtended strand (participates in β ladder)trans-117.5114.3168.7-47.20000107.8F47 K48 Q148 E149F47-T144 CarbonylContact C-O 3.47Å; F47-T144 WeakPolarHBondContact CA-O 3.49Å; F47-T144 WeakPolarHBondContact CB-O 3.44Å; K48-T144 HydrophobicContact CD-CG2 4.39Å; K48-T144 PolarHBondContact N-O 3.35Å; K48-T144 PolarHBondContact O-N 3.2Å; T144-Q148 WeakPolarHBondContact CA-O 3.37Å; T144-E149 HydrophobicContact CG2-CG 4.17Å
145V92.7Very high95.9Very high54 Ų5438.5 Ų38.533%0.32720%0.199SC..EExtended strand (participates in β ladder)trans-129.7126.5177.4-178.90000107.6P44 F47 D147 Q148P44-V145 HydrophobicContact CB-CG1 3.89Å; P44-V145 HydrophobicContact CG-CG1 3.67Å; F47-V145 HydrophobicContact CB-CG2 4.05Å; V145-D147 PolarHBondContact O-N 3.34Å; V145-Q148 PolarHBondContact N-O 3.32Å; V145-Q148 WeakPolarHBondContact O-CB 3.49Å; V145-Q148 PolarHBondContact O-N 3.17Å
146N87.5Confident95.9Very high120 Ų12038.7 Ų38.764%0.64220%0.198SC*.THydrogen-bonded Turntrans49.845.3-175.5-54.9-30.1000112.3Q148N146-Q148 PolarHBondContact O-N 3.43Å
147D87.2Confident95.8Very high141 Ų14139.8 Ų39.875%0.75420%0.204SC*.THydrogen-bonded Turntrans60.29.7-178.8-51.4-47.1000115.6V145V145-D147 PolarHBondContact O-N 3.34Å
148Q93.6Very high95.6Very high139 Ų13940.4 Ų40.465%0.6521%0.208SC*.EExtended strand (participates in β ladder)trans-92.9119.8170.2-61.7-60.8-56.500109.6T144 V145 N146T144-Q148 WeakPolarHBondContact CA-O 3.37Å; V145-Q148 PolarHBondContact N-O 3.32Å; V145-Q148 WeakPolarHBondContact O-CB 3.49Å; V145-Q148 PolarHBondContact O-N 3.17Å; N146-Q148 PolarHBondContact O-N 3.43Å
149E95.4Very high95.4Very high79 Ų7942 Ų4237%0.36922%0.215SC..EExtended strand (participates in β ladder)trans-86.8138.7174.3-56-154.3149.100111.2R142 L143 T144 Y151R142-E149 WeakPolarHBondContact CD-OE2 3.14Å; R142-E149 IonicContact CZ-OE1 3.93Å; R142-E149 IonicContact CZ-OE2 3.61Å; R142-E149 IonicContact NE-OE1 3.04Å; R142-E149 IonicContact NH1-OE1 2.65Å; R142-E149 PolarHBondContact NH1-OE1 3.13Å; R142-E149 IonicContact NH1-OE2 3.07Å; R142-E149 PolarHBondContact NH1-OE2 2.9Å; R142-E149 VanDerWaalsContact NH1-OE2 3.14Å; L143-E149 CarbonylContact O-C 3.53Å; L143-E149 WeakPolarHBondContact O-CA 3.11Å; T144-E149 HydrophobicContact CG2-CG 4.17Å; E149-Y151 PolarHBondContact OE2-OH 3.35Å
150S94.9Very high95Very high55 Ų5542.4 Ų42.439%0.38522%0.218SC..EExtended strand (participates in β ladder)trans-139.9132.7173.6-66.60000109.6R142 L143R142-S150 WeakPolarHBondContact CA-O 3.49Å; L143-S150 PolarHBondContact N-O 2.94Å; L143-S150 PolarHBondContact O-N 3.29Å
151Y97.3Very high94.5Very high38 Ų3843.8 Ų43.815%0.14923%0.227CC..EExtended strand (participates in β ladder)trans-105.3132.5179.9-51.8-88000110.1T105 I106 V111 Y141 R142 E149T105-Y151 WeakPolarHBondContact CA-O 3.24Å; I106-Y151 PolarHBondContact N-O 3.41Å; V111-Y151 HydrophobicContact CG2-CD1 3.61Å; V111-Y151 HydrophobicContact CG2-CD2 4.36Å; V111-Y151 HydrophobicContact CG2-CE1 4.34Å; V111-Y151 HydrophobicContact CG2-CG 3.62Å; Y141-Y151 CarbonylContact O-C 3.45Å; Y141-Y151 WeakPolarHBondContact O-CA 3.41Å; R142-Y151 HydrophobicContact CB-CD1 3.84Å; R142-Y151 HydrophobicContact CB-CE1 4.02Å; R142-Y151 HydrophobicContact CG-CD1 4Å; R142-Y151 HydrophobicContact CG-CE1 3.81Å; E149-Y151 PolarHBondContact OE2-OH 3.35Å
152I96.9Very high94.1Very high18 Ų1847.7 Ų47.79%0.09224%0.242CC..EExtended strand (participates in β ladder)trans-124.3122.7-176.5-58.8-64.2000108.9A103 K104 Y141 L143 V154A103-I152 HydrophobicContact CB-CG2 3.68Å; K104-I152 WeakPolarHBondContact O-CA 2.98Å; Y141-I152 PolarHBondContact N-O 2.78Å; Y141-I152 PolarHBondContact O-N 3.15Å; L143-I152 HydrophobicContact CD1-CG1 4.06Å; I152-V154 HydrophobicContact CG2-CG2 4.23Å
153L97.6Very high93.6Very high1 Ų146.6 Ų46.61%0.00524%0.239CC..EExtended strand (participates in β ladder)trans-107.2119172-178.264.6000109.4K104 I106 F137 L140 M155 L474K104-L153 PolarHBondContact N-O 2.86Å; K104-L153 PolarHBondContact O-N 3.26Å; I106-L153 HydrophobicContact CD1-CB 3.94Å; I106-L153 HydrophobicContact CD1-CD2 4.43Å; I106-L153 HydrophobicContact CG1-CB 4.34Å; I106-L153 HydrophobicContact CG2-CB 4.1Å; I106-L153 HydrophobicContact CG2-CD2 4.49Å; F137-L153 HydrophobicContact CB-CD1 4.45Å; F137-L153 HydrophobicContact CD1-CD1 3.9Å; F137-L153 HydrophobicContact CD1-CD2 3.71Å; F137-L153 HydrophobicContact CD1-CG 3.87Å; F137-L153 HydrophobicContact CE1-CD1 4.5Å; F137-L153 HydrophobicContact CE1-CD2 3.49Å; F137-L153 VanDerWaalsContact CE1-CD2 3.49Å; F137-L153 HydrophobicContact CE1-CG 4.16Å; F137-L153 HydrophobicContact CG-CD1 4.34Å; F137-L153 HydrophobicContact CZ-CD2 4.31Å; L140-L153 HydrophobicContact CB-CD1 4.3Å; L140-L153 HydrophobicContact CD1-CB 4.36Å; L140-L153 HydrophobicContact CD1-CD1 4.1Å; L153-M155 HydrophobicContact CB-CE 4.48Å; L153-M155 HydrophobicContact CD2-CE 4Å; L153-M155 HydrophobicContact CG-CE 4.02Å; L153-L474 HydrophobicContact CD2-CD1 3.74Å
154V97.9Very high93.3Very high1 Ų145.9 Ų45.91%0.00624%0.243CC..EExtended strand (participates in β ladder)trans-94.5133.9179-179.90000110.2Y71 F75 F101 V102 A103 L138 G139 Y141 I152Y71-V154 HydrophobicContact CE2-CG1 3.86Å; Y71-V154 WeakPolarHBondContact OH-CG1 3.41Å; F75-V154 HydrophobicContact CE1-CG2 4.42Å; F75-V154 HydrophobicContact CE2-CG1 3.74Å; F75-V154 HydrophobicContact CZ-CB 4.39Å; F75-V154 HydrophobicContact CZ-CG1 3.42Å; F75-V154 VanDerWaalsContact CZ-CG1 3.42Å; F75-V154 HydrophobicContact CZ-CG2 4.01Å; F101-V154 HydrophobicContact CB-CG1 4.36Å; V102-V154 WeakPolarHBondContact O-CA 3.29Å; A103-V154 HydrophobicContact CB-CG2 4.11Å; L138-V154 HydrophobicContact CB-CG1 4.24Å; L138-V154 PolarHBondContact N-O 3.18Å; G139-V154 PolarHBondContact O-N 3.42Å; Y141-V154 HydrophobicContact CD2-CG2 4.01Å; Y141-V154 HydrophobicContact CE2-CB 4.39Å; Y141-V154 HydrophobicContact CE2-CG2 3.62Å; I152-V154 HydrophobicContact CG2-CG2 4.23Å
155M97.4Very high93Very high26 Ų2646.6 Ų46.613%0.12825%0.246CC..EExtended strand (participates in β ladder)trans-141.9161.2177.662.7-163.878.500111.7F101 V102 K104 P135 Q136 F137 L153F101-M155 WeakPolarHBondContact CA-O 3.29Å; V102-M155 HydrophobicContact CB-CG 4.36Å; V102-M155 PolarHBondContact N-O 3.46Å; V102-M155 PolarHBondContact O-N 3.44Å; K104-M155 HydrophobicContact CB-CE 3.88Å; K104-M155 HydrophobicContact CD-CE 4.36Å; P135-M155 HydrophobicContact CB-SD 4.26Å; Q136-M155 CarbonylContact O-C 3.57Å; Q136-M155 WeakPolarHBondContact O-CA 3.46Å; Q136-M155 WeakPolarHBondContact O-CB 3.32Å; F137-M155 HydrophobicContact CD1-CB 4.28Å; F137-M155 HydrophobicContact CD1-CE 4.46Å; F137-M155 HydrophobicContact CE1-CE 4.22Å; L153-M155 HydrophobicContact CB-CE 4.48Å; L153-M155 HydrophobicContact CD2-CE 4Å; L153-M155 HydrophobicContact CG-CE 4.02Å
156R96.6Very high92.8Very high14 Ų1446 Ų465%0.05324%0.24CC..EExtended strand (participates in β ladder)trans-61.1140.7169.8-173.7179.2-68-78.711.2110.1F64 Q136 T448F64-R156 PolarHBondContact O-NH2 2.87Å; F64-R156 VanDerWaalsContact O-NH2 3.09Å; Q136-R156 HydrophobicContact CB-CB 4.03Å; Q136-R156 PolarHBondContact O-N 2.94Å; Q136-R156 VanDerWaalsContact O-N 3.1Å; R156-T448 PolarHBondContact NH1-O 3.4Å
157N94.8Very high93Very high25 Ų2544.8 Ų44.813%0.13423%0.228CC..  trans-66.7134.4171.4-164.9-7.3000110.3R99 Q100 V102 F159R99-N157 VanDerWaalsContact O-CB 3.3Å; R99-N157 WeakPolarHBondContact O-CB 3.3Å; R99-N157 PolarHBondContact O-ND2 2.92Å; Q100-N157 WeakPolarHBondContact O-CB 3.38Å; Q100-N157 PolarHBondContact O-N 3.21Å; V102-N157 HydrophobicContact CG2-CB 3.83Å; N157-F159 VanDerWaalsContact C-N 3.29Å; N157-F159 PolarHBondContact OD1-N 2.82Å
158V95Very high93.1Very high18 Ų1839.5 Ų39.511%0.10920%0.199CC..SBendtrans-67.7-36176.8173.40000110.9L283 Y452 F467 A469 I471V158-L283 HydrophobicContact CB-CD2 4.13Å; V158-L283 HydrophobicContact CG1-CD2 4.11Å; V158-L283 HydrophobicContact CG2-CD2 4.21Å; V158-Y452 HydrophobicContact CB-CD2 4.4Å; V158-Y452 HydrophobicContact CG1-CD2 4.43Å; V158-Y452 HydrophobicContact CG1-CG 4.43Å; V158-Y452 HydrophobicContact CG2-CE2 4.39Å; V158-F467 HydrophobicContact CG1-CB 4.46Å; V158-F467 WeakPolarHBondContact O-CD1 3.28Å; V158-A469 HydrophobicContact CB-CB 4.17Å; V158-A469 HydrophobicContact CG1-CB 3.53Å; V158-A469 HydrophobicContact CG2-CB 3.55Å; V158-I471 HydrophobicContact CG2-CG2 4.43Å
159F93.5Very high93Very high34 Ų3432.9 Ų32.915%0.14917%0.168CC..SBendtrans-91.3146.9-178.3-54.1-44000111.2N157 I165 K168 L283 F467N157-F159 VanDerWaalsContact C-N 3.29Å; N157-F159 PolarHBondContact OD1-N 2.82Å; F159-I165 HydrophobicContact CB-CD1 4.08Å; F159-I165 HydrophobicContact CB-CG1 3.88Å; F159-I165 HydrophobicContact CD1-CD1 3.78Å; F159-I165 HydrophobicContact CD1-CG1 3.89Å; F159-I165 HydrophobicContact CD2-CG1 4.16Å; F159-I165 HydrophobicContact CG-CD1 4.01Å; F159-I165 HydrophobicContact CG-CG1 3.7Å; F159-K168 HydrophobicContact CE2-CD 3.69Å; F159-K168 HydrophobicContact CE2-CG 4.36Å; F159-K168 HydrophobicContact CZ-CD 3.65Å; F159-K168 HydrophobicContact CZ-CG 3.83Å; F159-L283 HydrophobicContact CE1-CD2 4.2Å; F159-L283 HydrophobicContact CE1-CG 4.21Å; F159-L283 HydrophobicContact CE2-CD2 4.17Å; F159-L283 HydrophobicContact CZ-CD1 4.02Å; F159-L283 HydrophobicContact CZ-CD2 3.61Å; F159-L283 HydrophobicContact CZ-CG 3.77Å; F159-F467 HydrophobicContact CD1-CB 3.81Å; F159-F467 HydrophobicContact CD1-CG 4.26Å; F159-F467 HydrophobicContact CE1-CB 4.24Å
160S90.3Very high92.7Very high8 Ų830.5 Ų30.56%0.05616%0.158CC..  trans-56.5139.5175.2178.80000111.1R162 L163 E450 F467S160-R162 PolarHBondContact O-N 2.94Å; S160-R162 PolarHBondContact OG-N 3.02Å; S160-L163 PolarHBondContact OG-N 2.76Å; S160-E450 WeakPolarHBondContact OG-CG 3.41Å; S160-E450 PolarHBondContact OG-OE1 2.85Å; S160-F467 VanDerWaalsContact CB-CZ 3.49Å
161P87.9Confident92.2Very high31 Ų3128 Ų2820%0.20114%0.14CC..SBendtrans-67-18.9168.528.2-34.3000112.8N98 R99 Q100 L449N98-P161 WeakPolarHBondContact O-CB 3.47Å; R99-P161 HydrophobicContact CB-CB 4.03Å; Q100-P161 HydrophobicContact CG-CB 4.34Å; Q100-P161 HydrophobicContact CG-CG 4.24Å; P161-L449 HydrophobicContact CG-CB 4.31Å; P161-L449 HydrophobicContact CG-CD2 4.28Å
162R88Confident91.3Very high87 Ų8728.8 Ų28.833%0.32814%0.144SC..SBendtrans-106.3-26.4-172.5-65.5170.760.2-173-2.5114.1S160 Q439S160-R162 PolarHBondContact O-N 2.94Å; S160-R162 PolarHBondContact OG-N 3.02Å; R162-Q439 PolarHBondContact NH2-O 3.45Å
163L89.3Confident89.8Confident15 Ų1528.3 Ų28.38%0.07914%0.142CC..SBendtrans-104.5121.6-173.3-57176000111.5S160 I165 H287 F441 L445 I465 F467S160-L163 PolarHBondContact OG-N 2.76Å; L163-I165 PolarHBondContact O-N 2.9Å; L163-H287 HydrophobicContact CB-CB 4.43Å; L163-F441 HydrophobicContact CD1-CD2 4.23Å; L163-F441 HydrophobicContact CD1-CE2 3.99Å; L163-F441 HydrophobicContact CD2-CB 4.29Å; L163-F441 HydrophobicContact CD2-CD2 3.68Å; L163-F441 HydrophobicContact CD2-CE2 4.27Å; L163-F441 HydrophobicContact CD2-CG 4.11Å; L163-L445 HydrophobicContact CD1-CD2 3.94Å; L163-I465 HydrophobicContact CD1-CD1 3.87Å; L163-I465 HydrophobicContact CD1-CG2 4.45Å; L163-F467 HydrophobicContact CB-CE2 4.43Å; L163-F467 HydrophobicContact CB-CZ 4.37Å; L163-F467 HydrophobicContact CD1-CE2 4.43Å; L163-F467 HydrophobicContact CD1-CZ 3.92Å
164A89.3Confident87.8Confident53 Ų5334.1 Ų34.144%0.43817%0.171SC..  trans-67.3128.7179.300000111.4H166 H287A164-H166 PolarHBondContact O-CE1 3.4Å; A164-H287 WeakPolarHBondContact O-CB 3.35Å; A164-H287 PolarHBondContact O-ND1 2.64Å
165I90.8Very high85.5Confident22 Ų2237.3 Ų37.311%0.11319%0.188CC..  trans-82.8130.4174.3-57.9-56.9000108.7F159 L163 K167 L236 F467F159-I165 HydrophobicContact CB-CD1 4.08Å; F159-I165 HydrophobicContact CB-CG1 3.88Å; F159-I165 HydrophobicContact CD1-CD1 3.78Å; F159-I165 HydrophobicContact CD1-CG1 3.89Å; F159-I165 HydrophobicContact CD2-CG1 4.16Å; F159-I165 HydrophobicContact CG-CD1 4.01Å; F159-I165 HydrophobicContact CG-CG1 3.7Å; L163-I165 PolarHBondContact O-N 2.9Å; I165-K167 WeakPolarHBondContact CG2-O 3.35Å; I165-L236 WeakPolarHBondContact O-CD1 3.26Å; I165-F467 HydrophobicContact CD1-CD2 3.55Å; I165-F467 HydrophobicContact CD1-CE2 3.9Å; I165-F467 HydrophobicContact CD1-CG 4.45Å
166H88.9Confident83.2Confident42 Ų4240.1 Ų40.119%0.19420%0.198CC..SBendtrans-104.5-25.2178-55.2109.5000112.6A164 V286 H287 D288A164-H166 PolarHBondContact O-CE1 3.4Å; H166-V286 PolarHBondContact N-O 2.78Å; H166-H287 AromaticContact CE1-ND1 3.72Å; H166-D288 PolarHBondContact CE1-N 3.43Å; H166-D288 PolarHBondContact CE1-O 2.96Å; H166-D288 WeakPolarHBondContact ND1-CB 3.29Å; H166-D288 PolarHBondContact ND1-N 3.3Å
167K90Very high80.6Confident93 Ų9340.9 Ų40.940%0.40421%0.206SC..EExtended strand (participates in β ladder)trans-137.9143.1172.9-56.2-175.1-178.4-178.60110.7I165 Y169 G285 V286I165-K167 WeakPolarHBondContact CG2-O 3.35Å; K167-Y169 HydrophobicContact CB-CE2 3.93Å; K167-Y169 HydrophobicContact CD-CE2 4.46Å; K167-Y169 WeakPolarHBondContact CD-OH 3.34Å; K167-G285 CarbonylContact O-C 3.53Å; K167-G285 WeakPolarHBondContact O-CA 3.35Å; K167-V286 HydrophobicContact CB-CB 4.11Å; K167-V286 HydrophobicContact CB-CG2 4.24Å; K167-V286 PolarHBondContact N-O 3.06Å; K167-V286 PolarHBondContact O-N 3.4Å
168K90.8Very high77.7Confident31 Ų3143.3 Ų43.314%0.13523%0.225CC..EExtended strand (participates in β ladder)trans-132.5129.3177.7-167.8175.280.5-179.40110.3F159 T238 L239 L283 I284F159-K168 HydrophobicContact CE2-CD 3.69Å; F159-K168 HydrophobicContact CE2-CG 4.36Å; F159-K168 HydrophobicContact CZ-CD 3.65Å; F159-K168 HydrophobicContact CZ-CG 3.83Å; K168-T238 WeakPolarHBondContact CE-OG1 3.45Å; K168-T238 HydrophobicContact CG-CG2 4.49Å; K168-T238 PolarHBondContact NZ-OG1 3.09Å; K168-T238 VanDerWaalsContact NZ-OG1 3.09Å; K168-L239 WeakPolarHBondContact O-CB 3.47Å; K168-L239 PolarHBondContact O-N 3.42Å; K168-L283 HydrophobicContact CD-CD1 4.04Å; K168-L283 HydrophobicContact CG-CD1 3.83Å; K168-I284 CarbonylContact C-O 3.51Å; K168-I284 WeakPolarHBondContact CA-O 3.48Å
169Y89.6Confident75Confident0 Ų048.9 Ų48.90%025%0.249CC..EExtended strand (participates in β ladder)trans-123.7138.1176.9-53.5-91.2000110.9K167 L239 F244 L283 I284 V286K167-Y169 HydrophobicContact CB-CE2 3.93Å; K167-Y169 HydrophobicContact CD-CE2 4.46Å; K167-Y169 WeakPolarHBondContact CD-OH 3.34Å; Y169-L239 CarbonylContact C-O 3.51Å; Y169-L239 VanDerWaalsContact CA-O 3.3Å; Y169-L239 WeakPolarHBondContact CA-O 3.09Å; Y169-L239 HydrophobicContact CD1-CB 3.39Å; Y169-L239 HydrophobicContact CD1-CD1 3.95Å; Y169-L239 HydrophobicContact CD1-CG 4.3Å; Y169-L239 HydrophobicContact CE1-CB 3.75Å; Y169-L239 HydrophobicContact CE1-CD1 3.4Å; Y169-L239 HydrophobicContact CE1-CG 4.21Å; Y169-L239 HydrophobicContact CG-CB 4.24Å; Y169-F244 HydrophobicContact CD1-CB 4.03Å; Y169-F244 AromaticContact CD1-CD2 3.59Å; Y169-F244 HydrophobicContact CD1-CD2 3.59Å; Y169-F244 HydrophobicContact CD1-CG 4.31Å; Y169-F244 AromaticContact CD2-CD2 3.97Å; Y169-F244 HydrophobicContact CD2-CD2 3.97Å; Y169-F244 HydrophobicContact CD2-CE2 4.22Å; Y169-F244 HydrophobicContact CE1-CB 4.29Å; Y169-F244 AromaticContact CE1-CD2 3.82Å; Y169-F244 HydrophobicContact CE1-CD2 3.82Å; Y169-F244 HydrophobicContact CE2-CD2 4.16Å; Y169-F244 HydrophobicContact CE2-CE2 4.33Å; Y169-F244 AromaticContact CG-CD2 3.67Å; Y169-F244 HydrophobicContact CG-CD2 3.67Å; Y169-F244 HydrophobicContact CG-CE2 4.34Å; Y169-L283 WeakPolarHBondContact O-CA 3.38Å; Y169-L283 WeakPolarHBondContact O-CD1 3.47Å; Y169-I284 HydrophobicContact CD2-CB 4.42Å; Y169-I284 HydrophobicContact CD2-CG2 4.49Å; Y169-I284 PolarHBondContact N-O 3.4Å; Y169-I284 PolarHBondContact O-N 3.12Å; Y169-V286 HydrophobicContact CE2-CG2 4.1Å
170D89.1Confident72.4Confident29 Ų2952.7 Ų52.716%0.15527%0.267CS..EExtended strand (participates in β ladder)trans-118.5101.4175170.38000107.7T238 L239 S281D170-T238 HydrophobicContact CB-CG2 3.46Å; D170-T238 VanDerWaalsContact CB-CG2 3.46Å; D170-L239 PolarHBondContact N-O 2.98Å; D170-S281 WeakPolarHBondContact OD1-CB 3.37Å; D170-S281 PolarHBondContact OD1-OG 3.3Å
171L85.9Confident70Confident2 Ų255.2 Ų55.21%0.0128%0.282CS..EExtended strand (participates in β ladder)trans-105.4115.4-169-53.4173.4000109.8D241 F244 S281 L282 I284 F511L171-D241 WeakPolarHBondContact CA-OD1 3.4Å; L171-F244 HydrophobicContact CD1-CD2 4.29Å; L171-F244 HydrophobicContact CD1-CE2 4.47Å; L171-F244 HydrophobicContact CD2-CB 3.84Å; L171-F244 HydrophobicContact CD2-CD2 4.24Å; L171-F244 HydrophobicContact CD2-CG 4.08Å; L171-S281 CarbonylContact O-C 3.54Å; L171-S281 VanDerWaalsContact O-CA 3.24Å; L171-S281 WeakPolarHBondContact O-CA 3.27Å; L171-S281 WeakPolarHBondContact O-CB 3.42Å; L171-L282 HydrophobicContact CB-CB 4.4Å; L171-L282 PolarHBondContact N-O 3.48Å; L171-L282 PolarHBondContact O-N 2.84Å; L171-I284 HydrophobicContact CD1-CD1 3.4Å; L171-I284 HydrophobicContact CD1-CG1 3.97Å; L171-F511 HydrophobicContact CB-CE1 4.11Å; L171-F511 HydrophobicContact CD1-CE1 4Å; L171-F511 HydrophobicContact CD2-CE1 4.17Å; L171-F511 HydrophobicContact CG-CE1 4.3Å
172K77.3Confident67.4Low54 Ų5462.2 Ų62.224%0.23531%0.309CS..  trans-112.7-12.7175.3-70.3-166.4175.7-158.30112.9I174 D241 D279 S281K172-I174 HydrophobicContact CB-CG1 4.25Å; K172-D241 PolarHBondContact N-OD1 2.63Å; K172-D279 VanDerWaalsContact CE-O 3.32Å; K172-D279 WeakPolarHBondContact CE-O 3.37Å; K172-D279 PolarHBondContact NZ-O 2.98Å; K172-S281 WeakPolarHBondContact CE-OG 3.13Å; K172-S281 WeakPolarHBondContact CG-OG 3.36Å
173N66.3Low64.7Low9 Ų965.5 Ų65.55%0.04832%0.322CS..  trans45.459.1-169.7-165.36.4000114.1L175 Y176 D241 R507 F511N173-L175 PolarHBondContact O-N 3.06Å; N173-Y176 WeakPolarHBondContact ND2-CD2 3.31Å; N173-Y176 WeakPolarHBondContact OD1-CB 3.24Å; N173-Y176 PolarHBondContact OD1-N 2.69Å; N173-D241 VanDerWaalsContact CA-OD1 3.28Å; N173-D241 WeakPolarHBondContact CA-OD1 3.49Å; N173-D241 PolarHBondContact N-OD1 3.25Å; N173-R507 PolarHBondContact ND2-O 3.17Å; N173-F511 HydrophobicContact CB-CB 4.34Å; N173-F511 HydrophobicContact CB-CD1 4.29Å; N173-F511 HydrophobicContact CB-CG 4.17Å; N173-F511 VanDerWaalsContact ND2-CB 3.28Å; N173-F511 WeakPolarHBondContact ND2-CB 3.19Å
174I55.3Low62Low122 Ų12269 Ų6963%0.62635%0.347SS*.  trans-68.4-26.1167.7-58.7171.4000110.2K172 S177K172-I174 HydrophobicContact CB-CG1 4.25Å; I174-S177 WeakPolarHBondContact O-CB 3.24Å; I174-S177 PolarHBondContact O-N 3.1Å
175L48.9Very low59.6Low69 Ų6971.9 Ų71.936%0.36136%0.359SS..G310 helixtrans-74.8-26.4-170.3-114.294.6000114.8N173 S177 S178 A242N173-L175 PolarHBondContact O-N 3.06Å; L175-S177 PolarHBondContact O-N 2.84Å; L175-S178 PolarHBondContact O-N 2.62Å; L175-A242 HydrophobicContact CD1-CB 4.48Å
176Y48.6Very low56.8Low85 Ų8574.5 Ų74.533%0.33338%0.379SS..G310 helixtrans-66.9-14.8171.9-108.9-99000113.2N173 S178 V181 Q514N173-Y176 WeakPolarHBondContact ND2-CD2 3.31Å; N173-Y176 WeakPolarHBondContact OD1-CB 3.24Å; N173-Y176 PolarHBondContact OD1-N 2.69Å; Y176-S178 PolarHBondContact O-N 3.27Å; Y176-V181 HydrophobicContact CE2-CG2 4.34Å; Y176-Q514 PolarHBondContact OH-NE2 3.31Å; Y176-Q514 PolarHBondContact OH-OE1 2.79Å
177S42.8Very low54.1Low30 Ų3078 Ų7821%0.2140%0.399CS..G310 helixtrans-82.36.4177.8-149.50000114.3I174 L175 R507I174-S177 WeakPolarHBondContact O-CB 3.24Å; I174-S177 PolarHBondContact O-N 3.1Å; L175-S177 PolarHBondContact O-N 2.84Å; S177-R507 VanDerWaalsContact CB-NH1 3.25Å; S177-R507 PolarHBondContact OG-NH1 3.02Å
178S34.8Very low51.5Low76 Ų7681.9 Ų81.953%0.53142%0.418SS..SBendtrans-136.2143.5169.8-74.40000108.8L175 Y176 H180L175-S178 PolarHBondContact O-N 2.62Å; Y176-S178 PolarHBondContact O-N 3.27Å; S178-H180 PolarHBondContact O-N 3.02Å
179H38Very low48.6Very low134 Ų13485.3 Ų85.362%0.6245%0.446SS*.THydrogen-bonded Turntrans-52.219.8178.2-88.4-96000116.9
180H37.9Very low45.7Very low114 Ų11493.5 Ų93.553%0.52848%0.482SS..THydrogen-bonded Turntrans-78-26.8-173.1-103-73.6000114.8S178 K182 R183 S184S178-H180 PolarHBondContact O-N 3.02Å; H180-K182 VanDerWaalsContact C-N 3.25Å; H180-K182 PolarHBondContact O-N 2.62Å; H180-R183 PolarHBondContact O-N 2.97Å; H180-R183 VanDerWaalsContact O-N 3.09Å; H180-S184 PolarHBondContact O-N 3.35Å; H180-S184 PolarHBondContact O-OG 3.09Å
181V40.2Very low42.9Very low61 Ų6197.2 Ų97.237%0.3751%0.505SS..Hα-helixtrans-69.7-23.6176.5-177.10000112Y176Y176-V181 HydrophobicContact CE2-CG2 4.34Å
182K33.4Very low40.5Very low178 Ų178102 Ų10277%0.77454%0.544SS*.Hα-helixtrans-85.6-9.8171.5-72.2-173.4178.9178.10114.1H180H180-K182 VanDerWaalsContact C-N 3.25Å; H180-K182 PolarHBondContact O-N 2.62Å
183R30.5Very low38.4Very low157 Ų157108 Ų10859%0.59257%0.573SS**Hα-helixtrans-106.3-28.2179.6-84.5-173.6164.5114.6-3.1114H180 V185 S186 I187H180-R183 PolarHBondContact O-N 2.97Å; H180-R183 VanDerWaalsContact O-N 3.09Å; R183-V185 PolarHBondContact O-N 3.19Å; R183-S186 PolarHBondContact O-N 3.48Å; R183-I187 HydrophobicContact CB-CD1 4.5Å; R183-I187 WeakPolarHBondContact O-CG1 3.26Å; R183-I187 PolarHBondContact O-N 3.06Å
184S32.7Very low36.7Very low88 Ų88110.6 Ų110.662%0.61560%0.602SS**Hα-helixtrans-67.5-24.3175.857.50000113.2H180 S186H180-S184 PolarHBondContact O-N 3.35Å; H180-S184 PolarHBondContact O-OG 3.09Å; S184-S186 VanDerWaalsContact C-N 3.33Å
185V38.8Very low35.5Very low114 Ų114110.1 Ų110.169%0.69161%0.609SS**THydrogen-bonded Turntrans-82.7-10.3171.9-173.60000112.3R183R183-V185 PolarHBondContact O-N 3.19Å
186S32.2Very low34.8Very low76 Ų76113.8 Ų113.853%0.53164%0.635SS.*SBendtrans-110.45.2-172.8-156.20000114.4R183 S184R183-S186 PolarHBondContact O-N 3.48Å; S184-S186 VanDerWaalsContact C-N 3.33Å
187I33.4Very low33.9Very low117 Ų117118.4 Ų118.460%0.666%0.66SS**SBendtrans-114.653.5-177.3-59.6168.2000110.9R183R183-I187 HydrophobicContact CB-CD1 4.5Å; R183-I187 WeakPolarHBondContact O-CG1 3.26Å; R183-I187 PolarHBondContact O-N 3.06Å
188H34.6Very low33.3Very low174 Ų174124.9 Ų124.981%0.80669%0.691SS**  trans-146.821.6153.2-115.1-76.9000113.7F190H188-F190 PolarHBondContact O-N 3.23Å
189S29.6Very low33Very low103 Ų103125.9 Ų125.972%0.7270%0.698SS**  trans-74.957.4160.954.40000110.4V191S189-V191 PolarHBondContact O-N 3.04Å
190F29.8Very low32.5Very low172 Ų172125.4 Ų125.475%0.75471%0.71SS**  trans-86.498.7168.3-109-90.9000109.1H188H188-F190 PolarHBondContact O-N 3.23Å
191V29.5Very low32.2Very low107 Ų107125.4 Ų125.465%0.64872%0.723SS**  trans4792.1136.3-168.10000115.9S189S189-V191 PolarHBondContact O-N 3.04Å
192A35.7Very low31.9Very low101 Ų101132.6 Ų132.684%0.83575%0.749SS**  trans-124.1125.1147.100000107.8
193H33.4Very low32Very low180 Ų180131.3 Ų131.383%0.83375%0.749SS**  trans-60.1149-173.6-64.35.5000112.7
194G31.7Very low32.4Very low64 Ų64128.5 Ų128.566%0.6675%0.746SS**  trans125.984.6158.800000115
195S29.9Very low32.8Very low112 Ų112130 Ų13078%0.78375%0.746SS**  trans23.7105.8136.644.60000118.3
196T34.3Very low32.6Very low147 Ų147130.2 Ų130.290%0.90274%0.743SS**  -179.4142.1118.3180000110.5
197Q28.2Very low33Very low181 Ų181131.8 Ų131.885%0.84675%0.745SS**  trans-54.6146.5175.3-57.1-170.126.200111.1
198L31.2Very low33.3Very low167 Ų167128.4 Ų128.487%0.87474%0.735SS**  179.1120.9129.7-110.596000111.5
199S28.7Very low33.6Very low97 Ų97123.3 Ų123.368%0.67872%0.716SS**  41.5109.3129.2-165.30000120.2S201S199-S201 PolarHBondContact O-N 3.22Å
200S27.4Very low34.4Very low124 Ų124121.5 Ų121.587%0.86770%0.701SS**  trans18.997.3141.7-1480000116.8
201S31.3Very low35.3Very low114 Ų114117.9 Ų117.980%0.79769%0.692SS**  trans-145.3131.7166.6-76.60000110.8S199 I203S199-S201 PolarHBondContact O-N 3.22Å; S201-I203 PolarHBondContact O-N 3.05Å
202K33.7Very low36.3Very low211 Ų211117.7 Ų117.792%0.91769%0.687SS**  trans-48.4123.6-178-64.6168.9179.2174.10110.8N204K202-N204 PolarHBondContact O-N 3.03Å
203I36.6Very low36.9Very low151 Ų151117.4 Ų117.477%0.77467%0.668SS**  trans-63.2119.7176.4-64.8170.2000108.6S201 I205S201-I203 PolarHBondContact O-N 3.05Å; I203-I205 PolarHBondContact O-N 2.94Å; I203-I205 VanDerWaalsContact O-N 3.09Å
204N37.2Very low37.6Very low98 Ų98116.5 Ų116.552%0.52466%0.662SS.*  trans-76.490.6178.8-169.8-11.7000109.9K202 N206 N207K202-N204 PolarHBondContact O-N 3.03Å; N204-N206 PolarHBondContact O-N 3.03Å; N204-N207 PolarHBondContact O-N 2.91Å
205I41.4Very low38.4Very low120 Ų120117.8 Ų117.862%0.61565%0.651SS**Hα-helixtrans-56.1-29.8-176.6-66.2166.7000112.1I203 N207 A208 V209I203-I205 PolarHBondContact O-N 2.94Å; I203-I205 VanDerWaalsContact O-N 3.09Å; I205-N207 VanDerWaalsContact C-N 3.32Å; I205-N207 PolarHBondContact O-N 3Å; I205-A208 PolarHBondContact O-N 3.49Å; I205-V209 HydrophobicContact CG2-CG2 4.31Å; I205-V209 WeakPolarHBondContact O-CG2 3.28Å; I205-V209 PolarHBondContact O-N 2.79Å
206N35.6Very low39.2Very low118 Ų118114 Ų11463%0.63162%0.621SS**Hα-helixtrans-67.6-29.2-173.3-61.8-19.9000113.5N204 T210N204-N206 PolarHBondContact O-N 3.03Å; N206-T210 PolarHBondContact O-OG1 3.12Å
207N39.5Very low40Very low109 Ų109114.7 Ų114.758%0.58361%0.611SS**Hα-helixtrans-79-27.6177.7-79.82.5000112.9N204 I205 T210 V211N204-N207 PolarHBondContact O-N 2.91Å; I205-N207 VanDerWaalsContact C-N 3.32Å; I205-N207 PolarHBondContact O-N 3Å; N207-T210 WeakPolarHBondContact CA-OG1 3.34Å; N207-T210 PolarHBondContact O-OG1 2.65Å; N207-T210 VanDerWaalsContact O-OG1 3.13Å; N207-V211 WeakPolarHBondContact O-CG2 3.47Å; N207-V211 PolarHBondContact O-N 3.43Å
208A40.6Very low40.8Very low46 Ų46115.4 Ų115.438%0.3861%0.606SS.*Hα-helixtrans-73.3-38176.500000111.4I205 T210 V211 L212I205-A208 PolarHBondContact O-N 3.49Å; A208-T210 PolarHBondContact O-N 3.1Å; A208-V211 PolarHBondContact O-N 2.72Å; A208-L212 WeakPolarHBondContact O-CG 3.35Å; A208-L212 PolarHBondContact O-N 2.95Å; A208-L212 VanDerWaalsContact O-N 3.13Å
209V41.4Very low41.6Very low67 Ų67114.6 Ų114.641%0.40659%0.592SS.*Hα-helixtrans-60.2-44.7176.5175.20000111.1I205 V211 L212 E213I205-V209 HydrophobicContact CG2-CG2 4.31Å; I205-V209 WeakPolarHBondContact O-CG2 3.28Å; I205-V209 PolarHBondContact O-N 2.79Å; V209-V211 PolarHBondContact O-N 2.96Å; V209-L212 PolarHBondContact O-N 3.17Å; V209-E213 HydrophobicContact CG1-CG 4.39Å; V209-E213 WeakPolarHBondContact O-CG 3.18Å; V209-E213 PolarHBondContact O-N 3.02Å
210T46.4Very low42.4Very low66 Ų66113.8 Ų113.841%0.40558%0.579SS.*Hα-helixtrans-67.6-31.6-179.227.50000114N206 N207 A208 K214N206-T210 PolarHBondContact O-OG1 3.12Å; N207-T210 WeakPolarHBondContact CA-OG1 3.34Å; N207-T210 PolarHBondContact O-OG1 2.65Å; N207-T210 VanDerWaalsContact O-OG1 3.13Å; A208-T210 PolarHBondContact O-N 3.1Å; T210-K214 PolarHBondContact O-N 2.92Å
211V48.7Very low42.9Very low95 Ų95117.4 Ų117.458%0.57657%0.574SS**Hα-helixtrans-71.4-42.9174.7175.20000110.6N207 A208 V209 K214 E215N207-V211 WeakPolarHBondContact O-CG2 3.47Å; N207-V211 PolarHBondContact O-N 3.43Å; A208-V211 PolarHBondContact O-N 2.72Å; V209-V211 PolarHBondContact O-N 2.96Å; V211-K214 PolarHBondContact O-N 3.08Å; V211-E215 PolarHBondContact O-N 2.83Å; V211-E215 VanDerWaalsContact O-N 3.14Å
212L49.4Very low43.5Very low103 Ų103118 Ų11854%0.53957%0.567SS.*Hα-helixtrans-64.2-40.4176.4-70.2172.3000111.8A208 V209 K214 E215 H216A208-L212 WeakPolarHBondContact O-CG 3.35Å; A208-L212 PolarHBondContact O-N 2.95Å; A208-L212 VanDerWaalsContact O-N 3.13Å; V209-L212 PolarHBondContact O-N 3.17Å; L212-K214 PolarHBondContact O-N 3.2Å; L212-E215 PolarHBondContact O-N 2.98Å; L212-H216 WeakPolarHBondContact O-CB 3.37Å; L212-H216 PolarHBondContact O-N 2.66Å
213E47.3Very low43.9Very low95 Ų95114.2 Ų114.244%0.44455%0.55SS.*Hα-helixtrans-60.3-42.2174.4-78.1176.3173.700112.9V209 H216 K217 L248V209-E213 HydrophobicContact CG1-CG 4.39Å; V209-E213 WeakPolarHBondContact O-CG 3.18Å; V209-E213 PolarHBondContact O-N 3.02Å; E213-H216 PolarHBondContact O-N 2.71Å; E213-K217 PolarHBondContact O-N 2.81Å; E213-L248 HydrophobicContact CG-CD1 4.39Å
214K48.1Very low44.2Very low161 Ų161115.2 Ų115.270%0.755%0.549SS*.Hα-helixtrans-66.7-39.6178.7-81.6-178.6179.6174.90112.2T210 V211 L212 R218T210-K214 PolarHBondContact O-N 2.92Å; V211-K214 PolarHBondContact O-N 3.08Å; L212-K214 PolarHBondContact O-N 3.2Å; K214-R218 PolarHBondContact O-N 2.76Å
215E50Low44Very low92 Ų92117.2 Ų117.243%0.4356%0.555SS.*Hα-helixtrans-73.8-35.3177-159.2173.4151.200111.8V211 L212 R218 R219V211-E215 PolarHBondContact O-N 2.83Å; V211-E215 VanDerWaalsContact O-N 3.14Å; L212-E215 PolarHBondContact O-N 2.98Å; E215-R218 WeakPolarHBondContact O-CB 3.42Å; E215-R218 PolarHBondContact O-N 3.21Å; E215-R218 VanDerWaalsContact O-N 3.14Å; E215-R219 PolarHBondContact O-N 2.89Å; E215-R219 IonicContact OE1-CZ 3.7Å; E215-R219 IonicContact OE1-NE 3.09Å; E215-R219 IonicContact OE1-NH2 3.81Å; E215-R219 PolarHBondContact OE1-NH2 3.33Å
216H47Very low43.7Very low33 Ų33116 Ų11615%0.15356%0.557CS.*Hα-helixtrans-63.9-44.6175.7-171.871.6000112.2L212 E213 R218 R219 L220 T246 D247 L248L212-H216 WeakPolarHBondContact O-CB 3.37Å; L212-H216 PolarHBondContact O-N 2.66Å; E213-H216 PolarHBondContact O-N 2.71Å; H216-R218 PolarHBondContact O-N 3.31Å; H216-R219 PolarHBondContact O-N 2.84Å; H216-R219 VanDerWaalsContact O-N 3.13Å; H216-L220 WeakPolarHBondContact CD2-CD1 3.29Å; H216-L220 WeakPolarHBondContact NE2-CD1 3.22Å; H216-L220 WeakPolarHBondContact O-CB 3.36Å; H216-L220 PolarHBondContact O-N 2.81Å; H216-T246 PolarHBondContact CE1-O 2.81Å; H216-T246 VanDerWaalsContact CE1-O 3.31Å; H216-T246 PolarHBondContact ND1-O 2.62Å; H216-D247 VanDerWaalsContact CE1-C 3.44Å; H216-D247 PolarHBondContact CE1-O 2.83Å; H216-D247 PolarHBondContact NE2-O 2.84Å; H216-D247 VanDerWaalsContact NE2-O 3.14Å; H216-L248 HydrophobicContact CB-CD1 3.69Å
217K51.1Low43.9Very low161 Ų161117.8 Ų117.870%0.756%0.56SS**Hα-helixtrans-57.4-33.1171.9-83.2-179.2177.6174.80112.8E213 R221E213-K217 PolarHBondContact O-N 2.81Å; K217-R221 PolarHBondContact O-N 2.87Å
218R44.5Very low43.6Very low195 Ų195119 Ų11974%0.73656%0.562SS**Hα-helixtrans-71.3-43.5174.7-73.6-178173.8-179.5-2112.1K214 E215 H216 R221 I222K214-R218 PolarHBondContact O-N 2.76Å; E215-R218 WeakPolarHBondContact O-CB 3.42Å; E215-R218 PolarHBondContact O-N 3.21Å; E215-R218 VanDerWaalsContact O-N 3.14Å; H216-R218 PolarHBondContact O-N 3.31Å; R218-R221 WeakPolarHBondContact O-CB 3.42Å; R218-R221 PolarHBondContact O-N 3.33Å; R218-I222 WeakPolarHBondContact O-CG1 3.29Å; R218-I222 PolarHBondContact O-N 3.47Å
219R47Very low43Very low151 Ų151120.7 Ų120.757%0.5757%0.57SS**Hα-helixtrans-69.8-36.6179.4-67.2-173.6-173.6-160.64.4112.9E215 H216 R221 I222 K223E215-R219 PolarHBondContact O-N 2.89Å; E215-R219 IonicContact OE1-CZ 3.7Å; E215-R219 IonicContact OE1-NE 3.09Å; E215-R219 IonicContact OE1-NH2 3.81Å; E215-R219 PolarHBondContact OE1-NH2 3.33Å; H216-R219 PolarHBondContact O-N 2.84Å; H216-R219 VanDerWaalsContact O-N 3.13Å; R219-R221 VanDerWaalsContact C-N 3.31Å; R219-R221 PolarHBondContact O-N 3.48Å; R219-I222 PolarHBondContact O-N 2.96Å; R219-K223 PolarHBondContact O-N 2.89Å
220L45.5Very low42.4Very low80 Ų80123 Ų12342%0.41959%0.585SS.*Hα-helixtrans-59.6-40.2170.8-91.6161000111.7H216 I222 K223 K224H216-L220 WeakPolarHBondContact CD2-CD1 3.29Å; H216-L220 WeakPolarHBondContact NE2-CD1 3.22Å; H216-L220 WeakPolarHBondContact O-CB 3.36Å; H216-L220 PolarHBondContact O-N 2.81Å; L220-I222 VanDerWaalsContact C-N 3.3Å; L220-I222 PolarHBondContact O-N 3.45Å; L220-K223 PolarHBondContact O-N 2.9Å; L220-K224 WeakPolarHBondContact O-CB 3.42Å; L220-K224 PolarHBondContact O-N 3.43Å
221R37.8Very low41.6Very low200 Ų200125.8 Ų125.876%0.75560%0.602SS**Hα-helixtrans-64.4-35.4177.7-140.4175.8-166.2163.43.7112.5K217 R218 R219K217-R221 PolarHBondContact O-N 2.87Å; R218-R221 WeakPolarHBondContact O-CB 3.42Å; R218-R221 PolarHBondContact O-N 3.33Å; R219-R221 VanDerWaalsContact C-N 3.31Å; R219-R221 PolarHBondContact O-N 3.48Å
222I45.1Very low40.7Very low126 Ų126123.4 Ų123.465%0.64660%0.597SS**Hα-helixtrans-73.2-42.4177.1-62.5167.7000110.8R218 R219 L220 H225R218-I222 WeakPolarHBondContact O-CG1 3.29Å; R218-I222 PolarHBondContact O-N 3.47Å; R219-I222 PolarHBondContact O-N 2.96Å; L220-I222 VanDerWaalsContact C-N 3.3Å; L220-I222 PolarHBondContact O-N 3.45Å; I222-H225 PolarHBondContact O-N 2.85Å
223K42.3Very low40.4Very low131 Ų131124.7 Ų124.757%0.5761%0.614SS**Hα-helixtrans-70.9-33176.5-77.8-175.7176.9179.30113.2R219 L220 H225 S226 F227R219-K223 PolarHBondContact O-N 2.89Å; L220-K223 PolarHBondContact O-N 2.9Å; K223-H225 PolarHBondContact O-N 3.25Å; K223-S226 WeakPolarHBondContact O-CA 3.33Å; K223-S226 PolarHBondContact O-N 3.37Å; K223-S226 PolarHBondContact O-OG 2.89Å; K223-F227 PolarHBondContact O-N 3.29Å
224K42.5Very low40.8Very low172 Ų172128.7 Ų128.775%0.74863%0.63SS**Hα-helixtrans-63.2-25.3177.4-157.7171.4-173175.40112.4L220L220-K224 WeakPolarHBondContact O-CB 3.42Å; L220-K224 PolarHBondContact O-N 3.43Å
225H33.5Very low41.7Very low141 Ų141125 Ų12565%0.65362%0.622SS**THydrogen-bonded Turntrans-83.2-14.3170-90.7-70.1000114.6I222 K223I222-H225 PolarHBondContact O-N 2.85Å; K223-H225 PolarHBondContact O-N 3.25Å
226S34.5Very low43Very low94 Ų94124 Ų12466%0.65762%0.62SS**THydrogen-bonded Turntrans-93.8-16.1173.672.60000113.5K223K223-S226 WeakPolarHBondContact O-CA 3.33Å; K223-S226 PolarHBondContact O-N 3.37Å; K223-S226 PolarHBondContact O-OG 2.89Å
227F40.5Very low44.8Very low156 Ų156126.2 Ų126.268%0.68464%0.637SS**SBendtrans-104.952.9175.4-147.7-94.8000109.4K223K223-F227 PolarHBondContact O-N 3.29Å
228Q31.9Very low46.3Very low135 Ų135121.3 Ų121.363%0.63162%0.621SS**SBendtrans-96.4115.7169.8-145.5166.417.800106.2T230Q228-T230 PolarHBondContact O-N 2.98Å; Q228-T230 VanDerWaalsContact O-N 3.15Å
229S29.2Very low48.2Very low80 Ų80114 Ų11456%0.55960%0.596SS**  trans1387.5164.162.20000115.3T231S229-T231 PolarHBondContact O-N 3.47Å
230T28.7Very low50Low116 Ų116110.9 Ų110.971%0.71259%0.587SS**  trans-91.292.2151.5460000106.6Q228 G232Q228-T230 PolarHBondContact O-N 2.98Å; Q228-T230 VanDerWaalsContact O-N 3.15Å; T230-G232 VanDerWaalsContact C-N 3.26Å; T230-G232 PolarHBondContact O-N 2.89Å
231T29.5Very low51.5Low125 Ų125107.6 Ų107.677%0.76757%0.57SS**  trans-5295.3154.543.60000107.2S229S229-T231 PolarHBondContact O-N 3.47Å
232G30.2Very low53.2Low45 Ų45100.1 Ų100.146%0.46455%0.551SS.*SBendtrans142.895.1176.800000117.5T230 K234T230-G232 VanDerWaalsContact C-N 3.26Å; T230-G232 PolarHBondContact O-N 2.89Å; G232-K234 PolarHBondContact O-N 2.75Å; G232-K234 VanDerWaalsContact O-N 3.07Å
233S42.5Very low54.9Low129 Ų12997.3 Ų97.390%0.90254%0.537SS*.  trans68.2-0.2137.777.30000122.7
234K54.8Low56.5Low179 Ų17991.2 Ų91.278%0.77851%0.511SS*.PPolyproline II helixtrans-87.6130.1176.5-70.7-178.6-175.6172.10112G232G232-K234 PolarHBondContact O-N 2.75Å; G232-K234 VanDerWaalsContact O-N 3.07Å
235P68.3Low58Low83 Ų8386.9 Ų86.954%0.53950%0.495SS..PPolyproline II helixtrans-65.1140.2178.225.5-32.3000111.2T85T85-P235 HydrophobicContact CG2-CB 3.7Å
236L77.4Confident59.6Low71 Ų7184.4 Ų84.437%0.37249%0.49SS..PPolyproline II helixtrans-60.1130.8176.2-72160.4000110.6I165I165-L236 WeakPolarHBondContact O-CD1 3.26Å
237P84.3Confident61.2Low81 Ų8181.7 Ų81.753%0.52647%0.468SS..PPolyproline II helixtrans-66.8140.5179.627.9-33.8000110.9
238T82.8Confident62.2Low58 Ų5878.2 Ų78.236%0.35646%0.456SS..EExtended strand (participates in β ladder)trans-87.2106.6168.1-46.50000109.1K168 D170K168-T238 WeakPolarHBondContact CE-OG1 3.45Å; K168-T238 HydrophobicContact CG-CG2 4.49Å; K168-T238 PolarHBondContact NZ-OG1 3.09Å; K168-T238 VanDerWaalsContact NZ-OG1 3.09Å; D170-T238 HydrophobicContact CB-CG2 3.46Å; D170-T238 VanDerWaalsContact CB-CG2 3.46Å
239L84.6Confident63.8Low40 Ų4073 Ų7321%0.20944%0.435CS..EExtended strand (participates in β ladder)trans-76.7158.5176.3-60175.3000110.6K168 Y169 D170 D243K168-L239 WeakPolarHBondContact O-CB 3.47Å; K168-L239 PolarHBondContact O-N 3.42Å; Y169-L239 CarbonylContact C-O 3.51Å; Y169-L239 VanDerWaalsContact CA-O 3.3Å; Y169-L239 WeakPolarHBondContact CA-O 3.09Å; Y169-L239 HydrophobicContact CD1-CB 3.39Å; Y169-L239 HydrophobicContact CD1-CD1 3.95Å; Y169-L239 HydrophobicContact CD1-CG 4.3Å; Y169-L239 HydrophobicContact CE1-CB 3.75Å; Y169-L239 HydrophobicContact CE1-CD1 3.4Å; Y169-L239 HydrophobicContact CE1-CG 4.21Å; Y169-L239 HydrophobicContact CG-CB 4.24Å; D170-L239 PolarHBondContact N-O 2.98Å; L239-D243 HydrophobicContact CB-CB 3.85Å; L239-D243 HydrophobicContact CD2-CB 4.11Å; L239-D243 HydrophobicContact CG-CB 4.42Å
240K84.5Confident66Low86 Ų8673.7 Ų73.737%0.37443%0.428SS..  trans-121.4-174.3-175.4-69.5176.1173.3-70.30112.1A242 D243 F244K240-A242 VanDerWaalsContact C-N 3.3Å; K240-A242 PolarHBondContact O-N 3.21Å; K240-D243 PolarHBondContact N-OD2 3.5Å; K240-D243 WeakPolarHBondContact O-CB 3.39Å; K240-D243 PolarHBondContact O-N 3.34Å; K240-D243 VanDerWaalsContact O-N 3.08Å; K240-F244 PolarHBondContact O-N 3.34Å
241D77.9Confident68.6Low12 Ų1268.4 Ų68.46%0.06440%0.395CS..Hα-helixtrans-50.5-45.4-178.5-48.1-79.2000113.6L171 K172 N173 F244 L245L171-D241 WeakPolarHBondContact CA-OD1 3.4Å; K172-D241 PolarHBondContact N-OD1 2.63Å; N173-D241 VanDerWaalsContact CA-OD1 3.28Å; N173-D241 WeakPolarHBondContact CA-OD1 3.49Å; N173-D241 PolarHBondContact N-OD1 3.25Å; D241-F244 PolarHBondContact O-N 3.4Å; D241-L245 PolarHBondContact O-N 3.46Å
242A73.2Confident71.3Confident43 Ų4365.7 Ų65.736%0.35537%0.373SS..Hα-helixtrans-69.1-36.6-178.700000112.5L175 K240 T246L175-A242 HydrophobicContact CD1-CB 4.48Å; K240-A242 VanDerWaalsContact C-N 3.3Å; K240-A242 PolarHBondContact O-N 3.21Å; A242-T246 WeakPolarHBondContact O-CB 3.46Å; A242-T246 PolarHBondContact O-N 2.92Å; A242-T246 PolarHBondContact O-OG1 2.96Å
243D79.7Confident74.1Confident66 Ų6663.8 Ų63.835%0.35335%0.352SS..Hα-helixtrans-67.5-42.3177.7-56.2-59.3000110.1L239 K240 L245 T246 D247L239-D243 HydrophobicContact CB-CB 3.85Å; L239-D243 HydrophobicContact CD2-CB 4.11Å; L239-D243 HydrophobicContact CG-CB 4.42Å; K240-D243 PolarHBondContact N-OD2 3.5Å; K240-D243 WeakPolarHBondContact O-CB 3.39Å; K240-D243 PolarHBondContact O-N 3.34Å; K240-D243 VanDerWaalsContact O-N 3.08Å; D243-L245 PolarHBondContact O-N 3.45Å; D243-T246 PolarHBondContact O-N 3.44Å; D243-D247 WeakPolarHBondContact O-CB 3.43Å; D243-D247 PolarHBondContact O-N 3.31Å
244F76.6Confident76.3Confident4 Ų458.7 Ų58.72%0.01832%0.32CS..Hα-helixtrans-59.8-47.2178.5-167.6-86000112.3Y169 L171 K240 D241 D247 C249 M251 I284 F511 C515Y169-F244 HydrophobicContact CD1-CB 4.03Å; Y169-F244 AromaticContact CD1-CD2 3.59Å; Y169-F244 HydrophobicContact CD1-CD2 3.59Å; Y169-F244 HydrophobicContact CD1-CG 4.31Å; Y169-F244 AromaticContact CD2-CD2 3.97Å; Y169-F244 HydrophobicContact CD2-CD2 3.97Å; Y169-F244 HydrophobicContact CD2-CE2 4.22Å; Y169-F244 HydrophobicContact CE1-CB 4.29Å; Y169-F244 AromaticContact CE1-CD2 3.82Å; Y169-F244 HydrophobicContact CE1-CD2 3.82Å; Y169-F244 HydrophobicContact CE2-CD2 4.16Å; Y169-F244 HydrophobicContact CE2-CE2 4.33Å; Y169-F244 AromaticContact CG-CD2 3.67Å; Y169-F244 HydrophobicContact CG-CD2 3.67Å; Y169-F244 HydrophobicContact CG-CE2 4.34Å; L171-F244 HydrophobicContact CD1-CD2 4.29Å; L171-F244 HydrophobicContact CD1-CE2 4.47Å; L171-F244 HydrophobicContact CD2-CB 3.84Å; L171-F244 HydrophobicContact CD2-CD2 4.24Å; L171-F244 HydrophobicContact CD2-CG 4.08Å; K240-F244 PolarHBondContact O-N 3.34Å; D241-F244 PolarHBondContact O-N 3.4Å; F244-D247 PolarHBondContact O-N 2.89Å; F244-C249 HydrophobicContact CD2-CB 4.29Å; F244-C249 HydrophobicContact CE1-CB 4.33Å; F244-C249 WeakPolarHBondContact CE1-O 3.13Å; F244-C249 HydrophobicContact CE2-CB 4.05Å; F244-C249 HydrophobicContact CZ-CB 4.07Å; F244-C249 WeakPolarHBondContact CZ-O 3.46Å; F244-C249 PolarHBondContact O-N 2.88Å; F244-M251 HydrophobicContact CZ-CG 4.46Å; F244-I284 HydrophobicContact CE2-CD1 4.41Å; F244-F511 HydrophobicContact CD1-CZ 4.42Å; F244-C515 HydrophobicContact CE1-CB 3.56Å; F244-C515 WeakPolarHBondContact CE1-SG 3.48Å; F244-C515 HydrophobicContact CZ-CB 3.96Å
245L72.7Confident78.1Confident80 Ų8058.3 Ų58.342%0.41932%0.321SS..Hα-helixtrans-65.4-38.4176.1-71173.4000112.4D241 D243 D247 L248 F511D241-L245 PolarHBondContact O-N 3.46Å; D243-L245 PolarHBondContact O-N 3.45Å; L245-D247 VanDerWaalsContact C-N 3.28Å; L245-D247 PolarHBondContact O-N 2.81Å; L245-L248 PolarHBondContact O-N 3.16Å; L245-F511 HydrophobicContact CD1-CE2 4.39Å; L245-F511 HydrophobicContact CD2-CE2 4.07Å; L245-F511 HydrophobicContact CG-CE2 4.23Å
246T67.4Low79.2Confident90 Ų9062.5 Ų62.555%0.55233%0.333SS*.Hα-helixtrans-67.9-32.4179.1-57.70000111.8H216 A242 D243 L248H216-T246 PolarHBondContact CE1-O 2.81Å; H216-T246 VanDerWaalsContact CE1-O 3.31Å; H216-T246 PolarHBondContact ND1-O 2.62Å; A242-T246 WeakPolarHBondContact O-CB 3.46Å; A242-T246 PolarHBondContact O-N 2.92Å; A242-T246 PolarHBondContact O-OG1 2.96Å; D243-T246 PolarHBondContact O-N 3.44Å; T246-L248 PolarHBondContact O-N 2.86Å
247D68Low80Confident37 Ų3761.6 Ų61.620%0.19833%0.333CS..THydrogen-bonded Turntrans-75.6-0.4179.5-78.2-8.5000113.4H216 D243 F244 L245 C249H216-D247 VanDerWaalsContact CE1-C 3.44Å; H216-D247 PolarHBondContact CE1-O 2.83Å; H216-D247 PolarHBondContact NE2-O 2.84Å; H216-D247 VanDerWaalsContact NE2-O 3.14Å; D243-D247 WeakPolarHBondContact O-CB 3.43Å; D243-D247 PolarHBondContact O-N 3.31Å; F244-D247 PolarHBondContact O-N 2.89Å; L245-D247 VanDerWaalsContact C-N 3.28Å; L245-D247 PolarHBondContact O-N 2.81Å; D247-C249 HydrophobicContact CB-CB 4.11Å; D247-C249 PolarHBondContact O-N 3.47Å
248L61.2Low80.4Confident82 Ų8260 Ų6043%0.42932%0.318SS..THydrogen-bonded Turntrans4432.6-170.2-66.3174.9000111E213 H216 L245 T246 K250E213-L248 HydrophobicContact CG-CD1 4.39Å; H216-L248 HydrophobicContact CB-CD1 3.69Å; L245-L248 PolarHBondContact O-N 3.16Å; T246-L248 PolarHBondContact O-N 2.86Å; L248-K250 PolarHBondContact O-N 2.93Å
249C65.5Low80.9Confident27 Ų2765 Ų6518%0.18233%0.334CS..  trans-75.3108-170.1-170.10000106.7F244 D247F244-C249 HydrophobicContact CD2-CB 4.29Å; F244-C249 HydrophobicContact CE1-CB 4.33Å; F244-C249 WeakPolarHBondContact CE1-O 3.13Å; F244-C249 HydrophobicContact CE2-CB 4.05Å; F244-C249 HydrophobicContact CZ-CB 4.07Å; F244-C249 WeakPolarHBondContact CZ-O 3.46Å; F244-C249 PolarHBondContact O-N 2.88Å; D247-C249 HydrophobicContact CB-CB 4.11Å; D247-C249 PolarHBondContact O-N 3.47Å
250K76.3Confident81.4Confident94 Ų9469.1 Ų69.141%0.40935%0.351SS..  trans-108.1129.6170.7-65.1-167.3177.9-174.10109.5L248 H252 C515 D517L248-K250 PolarHBondContact O-N 2.93Å; K250-H252 PolarHBondContact O-CE1 3.49Å; K250-H252 PolarHBondContact O-N 3.5Å; K250-H252 PolarHBondContact O-ND1 3.25Å; K250-C515 WeakPolarHBondContact CA-O 3.44Å; K250-D517 HydrophobicContact CB-CB 4.33Å; K250-D517 HydrophobicContact CD-CB 4.27Å; K250-D517 WeakPolarHBondContact CD-OD1 3.4Å; K250-D517 WeakPolarHBondContact CD-OD2 3.43Å; K250-D517 WeakPolarHBondContact CE-OD1 3.49Å; K250-D517 IonicContact NZ-OD1 2.82Å; K250-D517 PolarHBondContact NZ-OD1 3.31Å; K250-D517 IonicContact NZ-OD2 2.91Å; K250-D517 PolarHBondContact NZ-OD2 3.23Å
251M82.9Confident81.8Confident4 Ų465.4 Ų65.42%0.0234%0.335CS..BIsolated β-bridgetrans-78.1109.5176.1-64.4174.871.200107.7F244 I253 I284 Y466 V468 C515 I516 D517F244-M251 HydrophobicContact CZ-CG 4.46Å; M251-I253 HydrophobicContact CB-CD1 3.97Å; M251-I253 HydrophobicContact CB-CG1 4.17Å; M251-I253 HydrophobicContact CE-CD1 3.66Å; M251-I253 PolarHBondContact O-N 3.25Å; M251-I284 HydrophobicContact CE-CD1 4.45Å; M251-I284 HydrophobicContact CE-CG2 4.34Å; M251-I284 HydrophobicContact SD-CD1 3.71Å; M251-I284 HydrophobicContact SD-CG2 4.45Å; M251-Y466 HydrophobicContact CB-CE1 4.34Å; M251-Y466 HydrophobicContact CE-CD1 3.86Å; M251-Y466 HydrophobicContact CE-CD2 4.32Å; M251-Y466 HydrophobicContact CE-CG 3.7Å; M251-Y466 HydrophobicContact CG-CD1 4.19Å; M251-Y466 HydrophobicContact CG-CE1 4.07Å; M251-V468 HydrophobicContact CE-CG2 3.57Å; M251-C515 PolarHBondContact N-O 2.82Å; M251-I516 HydrophobicContact CB-CG1 4.32Å; M251-I516 WeakPolarHBondContact O-CA 3.3Å; M251-I516 WeakPolarHBondContact O-CG2 3.46Å; M251-D517 PolarHBondContact O-N 3.16Å
252H86.5Confident82.6Confident69 Ų6965.9 Ų65.932%0.31934%0.337SS..  trans-85.192.1178.4-63.476.2000108.4K250 S456 S457 Y466K250-H252 PolarHBondContact O-CE1 3.49Å; K250-H252 PolarHBondContact O-N 3.5Å; K250-H252 PolarHBondContact O-ND1 3.25Å; H252-S456 CarbonylContact O-C 3.57Å; H252-S456 WeakPolarHBondContact O-CA 3.4Å; H252-S456 VanDerWaalsContact O-CB 3.23Å; H252-S456 WeakPolarHBondContact O-CB 3.4Å; H252-S457 PolarHBondContact O-N 2.75Å; H252-Y466 PolarHBondContact N-OH 3.46Å
253I88.9Confident83.7Confident5 Ų566.4 Ų66.43%0.02634%0.339CS..  trans-116.9135.8-175.6-62.6172.3000108.1M251 S257 K258 M261 I454 Y466 I516M251-I253 HydrophobicContact CB-CD1 3.97Å; M251-I253 HydrophobicContact CB-CG1 4.17Å; M251-I253 HydrophobicContact CE-CD1 3.66Å; M251-I253 PolarHBondContact O-N 3.25Å; I253-S257 VanDerWaalsContact CG2-CB 3.42Å; I253-K258 HydrophobicContact CG2-CB 4.39Å; I253-M261 HydrophobicContact CD1-CE 3.83Å; I253-M261 HydrophobicContact CD1-SD 4.28Å; I253-I454 HydrophobicContact CD1-CG2 4.23Å; I253-I454 HydrophobicContact CG1-CG2 4.33Å; I253-I454 HydrophobicContact CG2-CG2 3.77Å; I253-Y466 HydrophobicContact CD1-CD2 4.31Å; I253-Y466 HydrophobicContact CG1-CD2 4.01Å; I253-Y466 HydrophobicContact CG1-CE2 4.07Å; I253-I516 HydrophobicContact CB-CG2 4.17Å; I253-I516 HydrophobicContact CD1-CG2 4.4Å
254G89.4Confident84.5Confident21 Ų2164.6 Ų64.622%0.21633%0.33CS..  trans-58.5148178.200000112.3E256 S257 K258G254-E256 VanDerWaalsContact C-N 3.28Å; G254-E256 PolarHBondContact O-N 3.14Å; G254-E256 VanDerWaalsContact O-N 3.17Å; G254-S257 PolarHBondContact O-N 3.16Å; G254-K258 PolarHBondContact O-N 3.42Å
255E91.5Very high85.4Confident171 Ų17164.4 Ų64.480%0.79933%0.329SS*.Hα-helixtrans-53.8-40.9-171.7-170.2-179.7173.700113.5K258 K259E255-K258 PolarHBondContact O-N 2.76Å; E255-K259 WeakPolarHBondContact O-CB 3.32Å; E255-K259 PolarHBondContact O-N 3.2Å
256E92.8Very high86.5Confident171 Ų17165.5 Ų65.580%0.79933%0.332SS*.Hα-helixtrans-63.4-45.3176.8-173.4-177.3-177.500112.1G254 K259 K260G254-E256 VanDerWaalsContact C-N 3.28Å; G254-E256 PolarHBondContact O-N 3.14Å; G254-E256 VanDerWaalsContact O-N 3.17Å; E256-K259 PolarHBondContact O-N 3.27Å; E256-K260 WeakPolarHBondContact O-CB 3.4Å; E256-K260 PolarHBondContact O-N 3.47Å
257S92.2Very high87.9Confident53 Ų5364.3 Ų64.337%0.37133%0.326SS..Hα-helixtrans-69.1-37.4178.4-69.20000111.6I253 G254 K260 M261I253-S257 VanDerWaalsContact CG2-CB 3.42Å; G254-S257 PolarHBondContact O-N 3.16Å; S257-K260 PolarHBondContact O-N 2.79Å; S257-M261 VanDerWaalsContact O-CB 3.27Å; S257-M261 WeakPolarHBondContact O-CB 3.35Å; S257-M261 PolarHBondContact O-N 3.37Å
258K93.1Very high89.2Confident47 Ų4762.5 Ų62.520%0.20432%0.317CS..Hα-helixtrans-60.1-51.2172.9177.6177.1-166.61660110.7I253 G254 E255 K260 M261 L262 I516 D517I253-K258 HydrophobicContact CG2-CB 4.39Å; G254-K258 PolarHBondContact O-N 3.42Å; E255-K258 PolarHBondContact O-N 2.76Å; K258-K260 PolarHBondContact O-N 3.11Å; K258-M261 PolarHBondContact O-N 2.89Å; K258-L262 HydrophobicContact CG-CD1 3.99Å; K258-L262 WeakPolarHBondContact O-CB 3.41Å; K258-L262 WeakPolarHBondContact O-CG 3.42Å; K258-L262 PolarHBondContact O-N 2.85Å; K258-I516 HydrophobicContact CB-CG2 4.38Å; K258-I516 HydrophobicContact CD-CG2 3.72Å; K258-I516 HydrophobicContact CG-CG2 3.87Å; K258-I516 PolarHBondContact NZ-O 3.23Å; K258-D517 PolarHBondContact NZ-OXT 3.07Å
259K94.3Very high90.9Very high162 Ų16258.9 Ų58.970%0.70430%0.298SS*.Hα-helixtrans-59.7-46178.1-175.9178.3-179.9179.10111.7E255 E256 S263E255-K259 WeakPolarHBondContact O-CB 3.32Å; E255-K259 PolarHBondContact O-N 3.2Å; E256-K259 PolarHBondContact O-N 3.27Å; K259-S263 WeakPolarHBondContact O-CB 3.49Å; K259-S263 PolarHBondContact O-N 3.03Å; K259-S263 PolarHBondContact O-OG 3.19Å
260K94.3Very high92.2Very high127 Ų12762.5 Ų62.555%0.55231%0.312SS*.Hα-helixtrans-59.8-51.9176.3-174.4179.7177.5-1750110.9E256 S257 K258 L262 S263 T264E256-K260 WeakPolarHBondContact O-CB 3.4Å; E256-K260 PolarHBondContact O-N 3.47Å; S257-K260 PolarHBondContact O-N 2.79Å; K258-K260 PolarHBondContact O-N 3.11Å; K260-L262 PolarHBondContact O-N 3.11Å; K260-S263 PolarHBondContact O-N 2.86Å; K260-S263 PolarHBondContact O-OG 2.89Å; K260-T264 PolarHBondContact O-N 3Å; K260-T264 PolarHBondContact O-OG1 2.94Å; K260-T264 VanDerWaalsContact O-OG1 3.09Å
261M94.1Very high93.2Very high8 Ų858.4 Ų58.44%0.03929%0.294CS..Hα-helixtrans-60.1-46.6-178.9-175.7-179.665.200112.3L133 I253 S257 K258 T264 L265 I454 V468 I516L133-M261 HydrophobicContact CD1-CG 4.27Å; I253-M261 HydrophobicContact CD1-CE 3.83Å; I253-M261 HydrophobicContact CD1-SD 4.28Å; S257-M261 VanDerWaalsContact O-CB 3.27Å; S257-M261 WeakPolarHBondContact O-CB 3.35Å; S257-M261 PolarHBondContact O-N 3.37Å; K258-M261 PolarHBondContact O-N 2.89Å; M261-T264 PolarHBondContact O-N 2.83Å; M261-L265 VanDerWaalsContact O-CB 3.28Å; M261-L265 WeakPolarHBondContact O-CB 3.32Å; M261-L265 PolarHBondContact O-N 3.29Å; M261-I454 HydrophobicContact CB-CD1 4.07Å; M261-I454 HydrophobicContact CG-CD1 3.86Å; M261-I454 HydrophobicContact SD-CD1 3.35Å; M261-I454 WeakPolarHBondContact SD-CD1 3.48Å; M261-V468 HydrophobicContact SD-CB 4.41Å; M261-V468 HydrophobicContact SD-CG1 4.27Å; M261-V468 HydrophobicContact SD-CG2 4.29Å; M261-I516 HydrophobicContact CE-CD1 3.14Å; M261-I516 HydrophobicContact CE-CG1 3.91Å
262L94.5Very high93.7Very high22 Ų2258.2 Ų58.212%0.11529%0.293CS..Hα-helixtrans-63.6-43.1178-71.6175.5000111.5K258 K260 T264 L265 E266 L509 V512 E513 I516K258-L262 HydrophobicContact CG-CD1 3.99Å; K258-L262 WeakPolarHBondContact O-CB 3.41Å; K258-L262 WeakPolarHBondContact O-CG 3.42Å; K258-L262 PolarHBondContact O-N 2.85Å; K260-L262 PolarHBondContact O-N 3.11Å; L262-T264 PolarHBondContact O-N 2.87Å; L262-L265 PolarHBondContact O-N 3.43Å; L262-E266 WeakPolarHBondContact O-CB 3.29Å; L262-E266 WeakPolarHBondContact O-CG 3.29Å; L262-E266 PolarHBondContact O-N 3.09Å; L262-L509 HydrophobicContact CD2-CD1 4.36Å; L262-V512 HydrophobicContact CD2-CG1 4.36Å; L262-E513 HydrophobicContact CD1-CG 4.42Å; L262-E513 HydrophobicContact CD2-CB 4.47Å; L262-I516 HydrophobicContact CD2-CD1 4.13Å; L262-I516 HydrophobicContact CG-CD1 4.49Å
263S95.7Very high94Very high55 Ų5556.9 Ų56.939%0.38529%0.287SS..Hα-helixtrans-62.4-40176.870.10000112.9K259 K260 C267K259-S263 WeakPolarHBondContact O-CB 3.49Å; K259-S263 PolarHBondContact O-N 3.03Å; K259-S263 PolarHBondContact O-OG 3.19Å; K260-S263 PolarHBondContact O-N 2.86Å; K260-S263 PolarHBondContact O-OG 2.89Å; S263-C267 PolarHBondContact O-N 3.27Å; S263-C267 PolarHBondContact O-SG 2.89Å; S263-C267 VanDerWaalsContact O-SG 3.4Å
264T96.2Very high94.1Very high27 Ų2762.7 Ų62.717%0.16631%0.314CS..Hα-helixtrans-66.8-44.2175.1-56.30000110.9L133 K260 M261 L262 E266 C267 D268L133-T264 HydrophobicContact CG-CG2 4.04Å; K260-T264 PolarHBondContact O-N 3Å; K260-T264 PolarHBondContact O-OG1 2.94Å; K260-T264 VanDerWaalsContact O-OG1 3.09Å; M261-T264 PolarHBondContact O-N 2.83Å; L262-T264 PolarHBondContact O-N 2.87Å; T264-E266 VanDerWaalsContact C-N 3.32Å; T264-E266 PolarHBondContact O-N 2.87Å; T264-C267 PolarHBondContact O-N 3.1Å; T264-D268 WeakPolarHBondContact O-CB 3.39Å; T264-D268 PolarHBondContact O-N 3.3Å
265L95.4Very high94.2Very high1 Ų162.8 Ų62.81%0.00531%0.31CS..Hα-helixtrans-61.9-38.9178.3-176.560.3000112L133 M261 L262 D268 I269 L282 I470 L509 V512L133-L265 HydrophobicContact CD1-CB 3.99Å; L133-L265 HydrophobicContact CD1-CD1 4.12Å; M261-L265 VanDerWaalsContact O-CB 3.28Å; M261-L265 WeakPolarHBondContact O-CB 3.32Å; M261-L265 PolarHBondContact O-N 3.29Å; L262-L265 PolarHBondContact O-N 3.43Å; L265-D268 PolarHBondContact O-N 3.33Å; L265-I269 HydrophobicContact CD1-CD1 3.86Å; L265-I269 HydrophobicContact CD1-CG1 4.15Å; L265-I269 HydrophobicContact CG-CD1 3.79Å; L265-I269 HydrophobicContact CG-CG1 4.44Å; L265-I269 VanDerWaalsContact O-CB 3.29Å; L265-I269 WeakPolarHBondContact O-CB 3.36Å; L265-I269 VanDerWaalsContact O-CG1 3.22Å; L265-I269 WeakPolarHBondContact O-CG1 3.39Å; L265-I269 PolarHBondContact O-N 3.31Å; L265-L282 HydrophobicContact CD1-CD1 4.32Å; L265-I470 HydrophobicContact CD1-CD1 3.84Å; L265-I470 HydrophobicContact CD1-CG1 4.16Å; L265-L509 HydrophobicContact CB-CD1 4.5Å; L265-L509 HydrophobicContact CD2-CD1 3.99Å; L265-L509 HydrophobicContact CG-CD1 4.1Å; L265-V512 HydrophobicContact CD2-CB 3.95Å; L265-V512 HydrophobicContact CD2-CG1 3.72Å; L265-V512 HydrophobicContact CD2-CG2 4.05Å
266E95.7Very high94.2Very high103 Ų10357.6 Ų57.648%0.48129%0.288SS..Hα-helixtrans-60.1-50.6173.6-79.2173.5-174.900111.9L262 T264 D268 I269 Q270 L509L262-E266 WeakPolarHBondContact O-CB 3.29Å; L262-E266 WeakPolarHBondContact O-CG 3.29Å; L262-E266 PolarHBondContact O-N 3.09Å; T264-E266 VanDerWaalsContact C-N 3.32Å; T264-E266 PolarHBondContact O-N 2.87Å; E266-D268 VanDerWaalsContact C-N 3.34Å; E266-D268 PolarHBondContact O-N 2.98Å; E266-I269 PolarHBondContact O-N 2.96Å; E266-Q270 WeakPolarHBondContact O-CB 3.45Å; E266-Q270 PolarHBondContact O-N 3.02Å; E266-L509 HydrophobicContact CG-CD1 3.77Å; E266-L509 HydrophobicContact CG-CD2 3.57Å; E266-L509 HydrophobicContact CG-CG 4.32Å
267C96.4Very high94.1Very high64 Ų6449.5 Ų49.543%0.43225%0.25SC..Hα-helixtrans-60.8-42.6176.7-67.50000112.1Y124 S263 T264 Q270 F271Y124-C267 WeakPolarHBondContact OH-CB 3.49Å; Y124-C267 PolarHBondContact OH-O 2.81Å; S263-C267 PolarHBondContact O-N 3.27Å; S263-C267 PolarHBondContact O-SG 2.89Å; S263-C267 VanDerWaalsContact O-SG 3.4Å; T264-C267 PolarHBondContact O-N 3.1Å; C267-Q270 PolarHBondContact O-N 3.04Å; C267-F271 PolarHBondContact O-N 2.83Å
268D97.1Very high94Very high0 Ų047.1 Ų47.10%023%0.233CC..Hα-helixtrans-65.5-44.1179.7-69.7-23.4000111.3Y124 T132 L133 L134 T264 L265 E266 Q270 F271 L272 I470Y124-D268 VanDerWaalsContact CE1-OD1 3.32Å; Y124-D268 WeakPolarHBondContact CE1-OD1 3.43Å; Y124-D268 VanDerWaalsContact CZ-OD1 3.32Å; Y124-D268 WeakPolarHBondContact OH-CA 3.43Å; Y124-D268 PolarHBondContact OH-N 2.84Å; Y124-D268 VanDerWaalsContact OH-N 3.12Å; Y124-D268 PolarHBondContact OH-OD1 2.76Å; T132-D268 WeakPolarHBondContact CB-OD1 3.48Å; T132-D268 PolarHBondContact OG1-OD1 3.31Å; T132-D268 PolarHBondContact OG1-OD2 2.64Å; L133-D268 WeakPolarHBondContact CA-OD2 3.29Å; L133-D268 VanDerWaalsContact CB-OD2 3.26Å; L133-D268 WeakPolarHBondContact CB-OD2 3.4Å; L133-D268 PolarHBondContact N-OD2 2.97Å; L134-D268 HydrophobicContact CD2-CB 4.2Å; L134-D268 HydrophobicContact CG-CB 4.04Å; T264-D268 WeakPolarHBondContact O-CB 3.39Å; T264-D268 PolarHBondContact O-N 3.3Å; L265-D268 PolarHBondContact O-N 3.33Å; E266-D268 VanDerWaalsContact C-N 3.34Å; E266-D268 PolarHBondContact O-N 2.98Å; D268-Q270 VanDerWaalsContact C-N 3.32Å; D268-Q270 PolarHBondContact O-N 3Å; D268-F271 WeakPolarHBondContact O-CB 3.41Å; D268-F271 PolarHBondContact O-N 2.82Å; D268-L272 VanDerWaalsContact O-CG 3.29Å; D268-L272 WeakPolarHBondContact O-CG 3.4Å; D268-L272 PolarHBondContact O-N 3.3Å; D268-I470 HydrophobicContact CB-CD1 3.78Å
269I94.8Very high93.7Very high5 Ų547.9 Ų47.93%0.02624%0.239CC..Hα-helixtrans-64.1-39.8176.6-74.7171.3000110.7L265 E266 L272 Q273 G505 L508 L509L265-I269 HydrophobicContact CD1-CD1 3.86Å; L265-I269 HydrophobicContact CD1-CG1 4.15Å; L265-I269 HydrophobicContact CG-CD1 3.79Å; L265-I269 HydrophobicContact CG-CG1 4.44Å; L265-I269 VanDerWaalsContact O-CB 3.29Å; L265-I269 WeakPolarHBondContact O-CB 3.36Å; L265-I269 VanDerWaalsContact O-CG1 3.22Å; L265-I269 WeakPolarHBondContact O-CG1 3.39Å; L265-I269 PolarHBondContact O-N 3.31Å; E266-I269 PolarHBondContact O-N 2.96Å; I269-L272 PolarHBondContact O-N 3.22Å; I269-Q273 HydrophobicContact CG2-CG 4.35Å; I269-Q273 VanDerWaalsContact O-CG 3.26Å; I269-Q273 WeakPolarHBondContact O-CG 3.35Å; I269-Q273 PolarHBondContact O-N 2.58Å; I269-G505 VanDerWaalsContact CG2-CA 3.46Å; I269-L508 HydrophobicContact CD1-CB 4.48Å; I269-L508 HydrophobicContact CD1-CD2 4.42Å; I269-L509 HydrophobicContact CD1-CB 3.94Å; I269-L509 HydrophobicContact CD1-CD1 4.46Å
270Q94.8Very high93.6Very high104 Ų10440.1 Ų40.149%0.48621%0.205SC..Hα-helixtrans-59.9-46.8175.2-177-177.8-14.200111E266 C267 D268 L272 Q273 E274E266-Q270 WeakPolarHBondContact O-CB 3.45Å; E266-Q270 PolarHBondContact O-N 3.02Å; C267-Q270 PolarHBondContact O-N 3.04Å; D268-Q270 VanDerWaalsContact C-N 3.32Å; D268-Q270 PolarHBondContact O-N 3Å; Q270-L272 VanDerWaalsContact C-N 3.32Å; Q270-L272 PolarHBondContact O-N 3.17Å; Q270-Q273 WeakPolarHBondContact O-CB 3.34Å; Q270-Q273 PolarHBondContact O-N 2.55Å; Q270-Q273 VanDerWaalsContact O-N 3.16Å; Q270-E274 WeakPolarHBondContact CG-OE1 3.3Å; Q270-E274 PolarHBondContact NE2-OE1 3.03Å; Q270-E274 WeakPolarHBondContact O-CG 3.45Å; Q270-E274 PolarHBondContact O-N 2.91Å
271F95.5Very high93.4Very high8 Ų834.1 Ų34.14%0.03518%0.179CC..Hα-helixtrans-56.9-44174.7167.8-95000112.3E120 Y121 Y124 L134 C267 D268 Q273 E274 N275E120-F271 HydrophobicContact CB-CE2 4.07Å; Y121-F271 HydrophobicContact CD2-CE1 4.32Å; Y121-F271 HydrophobicContact CD2-CZ 4.2Å; Y124-F271 HydrophobicContact CD1-CD2 4.29Å; Y124-F271 HydrophobicContact CD1-CG 4.2Å; Y124-F271 HydrophobicContact CD2-CB 3.92Å; Y124-F271 AromaticContact CD2-CD2 3.88Å; Y124-F271 HydrophobicContact CD2-CD2 3.88Å; Y124-F271 HydrophobicContact CD2-CG 4.08Å; Y124-F271 HydrophobicContact CE1-CB 4.48Å; Y124-F271 HydrophobicContact CE2-CB 3.85Å; Y124-F271 HydrophobicContact CE2-CG 4.42Å; Y124-F271 HydrophobicContact CG-CB 4.29Å; Y124-F271 AromaticContact CG-CD2 3.69Å; Y124-F271 HydrophobicContact CG-CD2 3.69Å; Y124-F271 HydrophobicContact CG-CE2 4.23Å; Y124-F271 AromaticContact CG-CG 3.98Å; Y124-F271 HydrophobicContact CG-CG 3.98Å; L134-F271 HydrophobicContact CD1-CD1 3.55Å; L134-F271 HydrophobicContact CD1-CE1 3.9Å; L134-F271 HydrophobicContact CD1-CG 4.37Å; C267-F271 PolarHBondContact O-N 2.83Å; D268-F271 WeakPolarHBondContact O-CB 3.41Å; D268-F271 PolarHBondContact O-N 2.82Å; F271-Q273 VanDerWaalsContact C-N 3.33Å; F271-Q273 PolarHBondContact O-N 3.28Å; F271-E274 PolarHBondContact O-N 3.42Å; F271-N275 WeakPolarHBondContact CD2-ND2 3.42Å; F271-N275 WeakPolarHBondContact CE2-ND2 3.27Å; F271-N275 WeakPolarHBondContact CZ-ND2 3.49Å; F271-N275 PolarHBondContact O-N 3.3Å; F271-N275 VanDerWaalsContact O-N 3.14Å; F271-N275 PolarHBondContact O-ND2 2.73Å
272L94.8Very high93.4Very high0 Ų033.8 Ų33.80%018%0.178CC..Hα-helixtrans-64-38.2177.7-66.1171.5000112.1L134 D268 I269 Q270 N275 N276 L277 Y280 I470 I473L134-L272 HydrophobicContact CD2-CD1 3.94Å; L134-L272 HydrophobicContact CD2-CD2 3.88Å; L134-L272 HydrophobicContact CD2-CG 3.98Å; D268-L272 VanDerWaalsContact O-CG 3.29Å; D268-L272 WeakPolarHBondContact O-CG 3.4Å; D268-L272 PolarHBondContact O-N 3.3Å; I269-L272 PolarHBondContact O-N 3.22Å; Q270-L272 VanDerWaalsContact C-N 3.32Å; Q270-L272 PolarHBondContact O-N 3.17Å; L272-N275 PolarHBondContact O-N 2.98Å; L272-N276 PolarHBondContact O-N 3.2Å; L272-L277 HydrophobicContact CB-CB 4.37Å; L272-L277 HydrophobicContact CD2-CB 4.11Å; L272-L277 HydrophobicContact CD2-CD1 3.67Å; L272-L277 PolarHBondContact O-N 3.44Å; L272-Y280 HydrophobicContact CB-CD1 4.45Å; L272-Y280 HydrophobicContact CB-CE1 3.82Å; L272-Y280 HydrophobicContact CD1-CD1 3.8Å; L272-Y280 HydrophobicContact CD1-CD2 3.94Å; L272-Y280 HydrophobicContact CD1-CE1 3.68Å; L272-Y280 HydrophobicContact CD1-CE2 3.85Å; L272-Y280 HydrophobicContact CD1-CG 3.91Å; L272-Y280 HydrophobicContact CG-CE1 4.28Å; L272-I470 HydrophobicContact CD1-CD1 4.03Å; L272-I470 HydrophobicContact CD1-CG2 4.1Å; L272-I473 HydrophobicContact CD1-CG2 4.42Å; L272-I473 HydrophobicContact CD2-CB 3.84Å; L272-I473 HydrophobicContact CD2-CD1 4.33Å; L272-I473 HydrophobicContact CD2-CG2 3.85Å
273Q92.2Very high93.4Very high41 Ų4133.7 Ų33.719%0.19218%0.177CC..Hα-helixtrans-65.2-47.5176.3-71.9172.74.300111.8I269 Q270 F271 N275 N276 E502I269-Q273 HydrophobicContact CG2-CG 4.35Å; I269-Q273 VanDerWaalsContact O-CG 3.26Å; I269-Q273 WeakPolarHBondContact O-CG 3.35Å; I269-Q273 PolarHBondContact O-N 2.58Å; Q270-Q273 WeakPolarHBondContact O-CB 3.34Å; Q270-Q273 PolarHBondContact O-N 2.55Å; Q270-Q273 VanDerWaalsContact O-N 3.16Å; F271-Q273 VanDerWaalsContact C-N 3.33Å; F271-Q273 PolarHBondContact O-N 3.28Å; Q273-N275 PolarHBondContact O-N 3.06Å; Q273-N276 PolarHBondContact O-N 3.17Å; Q273-E502 PolarHBondContact NE2-O 3.42Å
274E91.9Very high93.3Very high126 Ų12631.2 Ų31.259%0.58916%0.16SC*.Hα-helixtrans-58.9-36.1178.3-71.6173.1-173.500111.7Q270 F271 N276Q270-E274 WeakPolarHBondContact CG-OE1 3.3Å; Q270-E274 PolarHBondContact NE2-OE1 3.03Å; Q270-E274 WeakPolarHBondContact O-CG 3.45Å; Q270-E274 PolarHBondContact O-N 2.91Å; F271-E274 PolarHBondContact O-N 3.42Å; E274-N276 VanDerWaalsContact C-N 3.3Å; E274-N276 PolarHBondContact O-N 2.98Å; E274-N276 PolarHBondContact O-ND2 2.91Å
275N91.4Very high93.1Very high23 Ų2330 Ų3012%0.12315%0.152CC..THydrogen-bonded Turntrans-854.9176.4-73.1-84.2000114.2F271 L272 Q273 L277F271-N275 WeakPolarHBondContact CD2-ND2 3.42Å; F271-N275 WeakPolarHBondContact CE2-ND2 3.27Å; F271-N275 WeakPolarHBondContact CZ-ND2 3.49Å; F271-N275 PolarHBondContact O-N 3.3Å; F271-N275 VanDerWaalsContact O-N 3.14Å; F271-N275 PolarHBondContact O-ND2 2.73Å; L272-N275 PolarHBondContact O-N 2.98Å; Q273-N275 PolarHBondContact O-N 3.06Å; N275-L277 HydrophobicContact CB-CD1 3.81Å; N275-L277 HydrophobicContact CB-CG 3.84Å; N275-L277 PolarHBondContact O-N 3.21Å
276N90.9Very high93Very high63 Ų6330.4 Ų30.434%0.33715%0.154SC..THydrogen-bonded Turntrans55.535.8-178.1-62.4-88.2000113.6L272 Q273 E274 Y477 P501L272-N276 PolarHBondContact O-N 3.2Å; Q273-N276 PolarHBondContact O-N 3.17Å; E274-N276 VanDerWaalsContact C-N 3.3Å; E274-N276 PolarHBondContact O-N 2.98Å; E274-N276 PolarHBondContact O-ND2 2.91Å; N276-Y477 WeakPolarHBondContact O-CB 3.4Å; N276-Y477 PolarHBondContact O-N 3.38Å; N276-P501 HydrophobicContact CB-CG 4.46Å
277L91.7Very high92.8Very high0 Ų025.8 Ų25.80%013%0.133CC..BIsolated β-bridgetrans-91.5141.1179.2-58.6172.6000109.8Q113 M117 L272 N275 Y280 I473 R476Q113-L277 HydrophobicContact CG-CD2 4.27Å; M117-L277 HydrophobicContact SD-CD1 3.82Å; M117-L277 HydrophobicContact SD-CD2 4.46Å; L272-L277 HydrophobicContact CB-CB 4.37Å; L272-L277 HydrophobicContact CD2-CB 4.11Å; L272-L277 HydrophobicContact CD2-CD1 3.67Å; L272-L277 PolarHBondContact O-N 3.44Å; N275-L277 HydrophobicContact CB-CD1 3.81Å; N275-L277 HydrophobicContact CB-CG 3.84Å; N275-L277 PolarHBondContact O-N 3.21Å; L277-Y280 WeakPolarHBondContact O-CE1 3.41Å; L277-I473 WeakPolarHBondContact CD1-O 3.33Å; L277-I473 WeakPolarHBondContact CD2-O 3.21Å; L277-R476 HydrophobicContact CD2-CB 4.44Å
278I89.3Confident92.5Very high3 Ų324.2 Ų24.22%0.01512%0.12CC..  trans-146.3-177.3178.660.6156.3000111.2Y280 T475 Y477 K481 P501 Y504I278-Y280 PolarHBondContact O-N 3.25Å; I278-Y280 VanDerWaalsContact O-N 3.1Å; I278-T475 PolarHBondContact N-O 3.43Å; I278-T475 WeakPolarHBondContact O-CB 3.28Å; I278-Y477 HydrophobicContact CD1-CD2 3.6Å; I278-Y477 HydrophobicContact CD1-CE2 4.31Å; I278-Y477 HydrophobicContact CG1-CD2 4.31Å; I278-K481 HydrophobicContact CD1-CD 3.41Å; I278-K481 VanDerWaalsContact CD1-CD 3.41Å; I278-K481 HydrophobicContact CG1-CD 4.17Å; I278-K481 VanDerWaalsContact CG1-NZ 3.3Å; I278-P501 HydrophobicContact CG2-CB 3.81Å; I278-P501 HydrophobicContact CG2-CG 3.78Å; I278-Y504 HydrophobicContact CB-CD1 4.45Å; I278-Y504 HydrophobicContact CB-CG 4.43Å; I278-Y504 HydrophobicContact CG2-CG 4.44Å
279D85.9Confident92Very high63 Ų6326 Ų2634%0.33713%0.132SC..SBendtrans60.510.7-178-70.718000115.2K172 T475 K481 Y504K172-D279 VanDerWaalsContact CE-O 3.32Å; K172-D279 WeakPolarHBondContact CE-O 3.37Å; K172-D279 PolarHBondContact NZ-O 2.98Å; D279-T475 HydrophobicContact CB-CG2 4.33Å; D279-K481 IonicContact OD1-NZ 2.9Å; D279-K481 PolarHBondContact OD1-NZ 3.24Å; D279-K481 WeakPolarHBondContact OD2-CE 3.41Å; D279-K481 IonicContact OD2-NZ 3.67Å; D279-K481 PolarHBondContact OD2-NZ 3.39Å; D279-Y504 WeakPolarHBondContact CA-OH 3.37Å
280Y92.7Very high91.6Very high0 Ų031 Ų310%016%0.155CC..  trans-67.9148.5169.951.2-98.1000111.1L272 L277 I278 I470 I471 Y504 G505 L508L272-Y280 HydrophobicContact CB-CD1 4.45Å; L272-Y280 HydrophobicContact CB-CE1 3.82Å; L272-Y280 HydrophobicContact CD1-CD1 3.8Å; L272-Y280 HydrophobicContact CD1-CD2 3.94Å; L272-Y280 HydrophobicContact CD1-CE1 3.68Å; L272-Y280 HydrophobicContact CD1-CE2 3.85Å; L272-Y280 HydrophobicContact CD1-CG 3.91Å; L272-Y280 HydrophobicContact CG-CE1 4.28Å; L277-Y280 WeakPolarHBondContact O-CE1 3.41Å; I278-Y280 PolarHBondContact O-N 3.25Å; I278-Y280 VanDerWaalsContact O-N 3.1Å; Y280-I470 HydrophobicContact CD2-CG2 4.06Å; Y280-I470 HydrophobicContact CG-CG2 4.24Å; Y280-I471 VanDerWaalsContact CA-O 3.28Å; Y280-I471 WeakPolarHBondContact CA-O 3.41Å; Y280-I471 WeakPolarHBondContact CB-O 3.49Å; Y280-Y504 HydrophobicContact CD1-CD1 4.26Å; Y280-Y504 AromaticContact CD1-CE1 3.89Å; Y280-Y504 HydrophobicContact CD1-CE1 3.89Å; Y280-Y504 HydrophobicContact CD2-CD1 4.4Å; Y280-Y504 AromaticContact CD2-CE1 3.7Å; Y280-Y504 HydrophobicContact CD2-CE1 3.7Å; Y280-Y504 AromaticContact CE1-CD1 3.67Å; Y280-Y504 HydrophobicContact CE1-CD1 3.67Å; Y280-Y504 AromaticContact CE1-CE1 3.76Å; Y280-Y504 HydrophobicContact CE1-CE1 3.76Å; Y280-Y504 AromaticContact CE2-CD1 3.81Å; Y280-Y504 HydrophobicContact CE2-CD1 3.81Å; Y280-Y504 AromaticContact CE2-CE1 3.54Å; Y280-Y504 HydrophobicContact CE2-CE1 3.54Å; Y280-Y504 AromaticContact CG-CE1 3.88Å; Y280-Y504 HydrophobicContact CG-CE1 3.88Å; Y280-Y504 AromaticContact CZ-CD1 3.43Å; Y280-Y504 VanDerWaalsContact CZ-CD1 3.43Å; Y280-Y504 AromaticContact CZ-CE1 3.6Å; Y280-Y504 PolarHBondContact O-OH 2.96Å; Y280-G505 WeakPolarHBondContact OH-CA 3.39Å; Y280-G505 PolarHBondContact OH-N 3.18Å; Y280-L508 HydrophobicContact CD2-CD2 3.84Å; Y280-L508 HydrophobicContact CE2-CD2 3.62Å
281S91.4Very high91.3Very high0 Ų030.1 Ų30.10%015%0.153CC..EExtended strand (participates in β ladder)trans-110.5161.3173.5-48.70000111.6D170 L171 K172 I470 I471D170-S281 WeakPolarHBondContact OD1-CB 3.37Å; D170-S281 PolarHBondContact OD1-OG 3.3Å; L171-S281 CarbonylContact O-C 3.54Å; L171-S281 VanDerWaalsContact O-CA 3.24Å; L171-S281 WeakPolarHBondContact O-CA 3.27Å; L171-S281 WeakPolarHBondContact O-CB 3.42Å; K172-S281 WeakPolarHBondContact CE-OG 3.13Å; K172-S281 WeakPolarHBondContact CG-OG 3.36Å; S281-I470 CarbonylContact O-C 3.56Å; S281-I470 VanDerWaalsContact O-CA 3.29Å; S281-I470 WeakPolarHBondContact O-CA 3.36Å; S281-I471 PolarHBondContact N-O 3.37Å; S281-I471 PolarHBondContact O-N 3.47Å
282L93.6Very high90.8Very high1 Ų130.6 Ų30.61%0.00516%0.158CC..EExtended strand (participates in β ladder)trans-93.5116.7156.2-162.874.4000109.6L171 L265 I284 V468 I470 L508 V512L171-L282 HydrophobicContact CB-CB 4.4Å; L171-L282 PolarHBondContact N-O 3.48Å; L171-L282 PolarHBondContact O-N 2.84Å; L265-L282 HydrophobicContact CD1-CD1 4.32Å; L282-I284 HydrophobicContact CD2-CD1 4.14Å; L282-I284 HydrophobicContact CD2-CG1 4.26Å; L282-I284 HydrophobicContact CG-CG1 4.35Å; L282-V468 HydrophobicContact CD1-CG1 3.76Å; L282-V468 HydrophobicContact CD2-CG1 3.85Å; L282-V468 HydrophobicContact CG-CG1 3.91Å; L282-I470 HydrophobicContact CD1-CG1 4Å; L282-L508 HydrophobicContact CB-CD1 4.24Å; L282-V512 HydrophobicContact CD2-CG1 4.27Å; L282-V512 HydrophobicContact CD2-CG2 3.45Å; L282-V512 VanDerWaalsContact CD2-CG2 3.45Å
283L94.1Very high90.3Very high21 Ų2135.7 Ų35.711%0.1119%0.185CC..EExtended strand (participates in β ladder)trans-86.9125.7172-176.563.1000109.1V158 F159 K168 Y169 V468 A469 I471V158-L283 HydrophobicContact CB-CD2 4.13Å; V158-L283 HydrophobicContact CG1-CD2 4.11Å; V158-L283 HydrophobicContact CG2-CD2 4.21Å; F159-L283 HydrophobicContact CE1-CD2 4.2Å; F159-L283 HydrophobicContact CE1-CG 4.21Å; F159-L283 HydrophobicContact CE2-CD2 4.17Å; F159-L283 HydrophobicContact CZ-CD1 4.02Å; F159-L283 HydrophobicContact CZ-CD2 3.61Å; F159-L283 HydrophobicContact CZ-CG 3.77Å; K168-L283 HydrophobicContact CD-CD1 4.04Å; K168-L283 HydrophobicContact CG-CD1 3.83Å; Y169-L283 WeakPolarHBondContact O-CA 3.38Å; Y169-L283 WeakPolarHBondContact O-CD1 3.47Å; L283-V468 WeakPolarHBondContact O-CA 3.39Å; L283-A469 PolarHBondContact N-O 2.96Å; L283-A469 PolarHBondContact O-N 3.02Å; L283-I471 HydrophobicContact CB-CD1 3.96Å; L283-I471 HydrophobicContact CB-CG1 4.11Å; L283-I471 HydrophobicContact CB-CG2 3.82Å; L283-I471 HydrophobicContact CD1-CD1 4.41Å; L283-I471 HydrophobicContact CD2-CD1 4.44Å; L283-I471 HydrophobicContact CD2-CG2 4Å
284I93.1Very high89.9Confident3 Ų335.9 Ų35.92%0.01519%0.193CC..EExtended strand (participates in β ladder)trans-121.1119.5175.9-53.4-172000109.5K168 Y169 L171 F244 M251 L282 V286 F467 V468K168-I284 CarbonylContact C-O 3.51Å; K168-I284 WeakPolarHBondContact CA-O 3.48Å; Y169-I284 HydrophobicContact CD2-CB 4.42Å; Y169-I284 HydrophobicContact CD2-CG2 4.49Å; Y169-I284 PolarHBondContact N-O 3.4Å; Y169-I284 PolarHBondContact O-N 3.12Å; L171-I284 HydrophobicContact CD1-CD1 3.4Å; L171-I284 HydrophobicContact CD1-CG1 3.97Å; F244-I284 HydrophobicContact CE2-CD1 4.41Å; M251-I284 HydrophobicContact CE-CD1 4.45Å; M251-I284 HydrophobicContact CE-CG2 4.34Å; M251-I284 HydrophobicContact SD-CD1 3.71Å; M251-I284 HydrophobicContact SD-CG2 4.45Å; L282-I284 HydrophobicContact CD2-CD1 4.14Å; L282-I284 HydrophobicContact CD2-CG1 4.26Å; L282-I284 HydrophobicContact CG-CG1 4.35Å; I284-V286 HydrophobicContact CG2-CG2 4.42Å; I284-F467 CarbonylContact C-O 3.6Å; I284-F467 VanDerWaalsContact CA-O 3.29Å; I284-F467 WeakPolarHBondContact CA-O 3.35Å; I284-V468 HydrophobicContact CG2-CG2 4.49Å
285G93Very high89.4Confident0 Ų032.4 Ų32.40%018%0.183CC..EExtended strand (participates in β ladder)trans-103.1138167.200000110.4K167 Y466 F467K167-G285 CarbonylContact O-C 3.53Å; K167-G285 WeakPolarHBondContact O-CA 3.35Å; G285-Y466 CarbonylContact O-C 3.57Å; G285-Y466 WeakPolarHBondContact O-CA 3.35Å; G285-F467 PolarHBondContact N-O 3Å; G285-F467 PolarHBondContact O-N 3.33Å
286V92.4Very high88.7Confident10 Ų1035 Ų356%0.06120%0.203CC..EExtended strand (participates in β ladder)trans-116119.5174.7-1720000108.7H166 K167 Y169 I284 L464 Y466H166-V286 PolarHBondContact N-O 2.78Å; K167-V286 HydrophobicContact CB-CB 4.11Å; K167-V286 HydrophobicContact CB-CG2 4.24Å; K167-V286 PolarHBondContact N-O 3.06Å; K167-V286 PolarHBondContact O-N 3.4Å; Y169-V286 HydrophobicContact CE2-CG2 4.1Å; I284-V286 HydrophobicContact CG2-CG2 4.42Å; V286-L464 HydrophobicContact CG1-CB 4.46Å; V286-L464 HydrophobicContact CG1-CD1 4.1Å; V286-L464 HydrophobicContact CG1-CD2 4.22Å; V286-Y466 HydrophobicContact CG1-CD1 4.41Å; V286-Y466 HydrophobicContact CG1-CE1 4.31Å; V286-Y466 HydrophobicContact CG2-CD1 4.14Å; V286-Y466 HydrophobicContact CG2-CE1 4.42Å
287H91.6Very high88.1Confident6 Ų637.7 Ų37.73%0.02822%0.217CC..EExtended strand (participates in β ladder)trans-99.3138.7166.7171.877.9000109.4L163 A164 H166 I465 F467L163-H287 HydrophobicContact CB-CB 4.43Å; A164-H287 WeakPolarHBondContact O-CB 3.35Å; A164-H287 PolarHBondContact O-ND1 2.64Å; H166-H287 AromaticContact CE1-ND1 3.72Å; H287-I465 HydrophobicContact CB-CB 4.17Å; H287-I465 PolarHBondContact N-O 3.19Å; H287-I465 PolarHBondContact O-N 3.14Å; H287-F467 HydrophobicContact CB-CE2 4.2Å
288D90.5Very high87.3Confident32 Ų3243.5 Ų43.517%0.17124%0.244CC..  trans-123.8102.4-177.8-175.6-33.4000106.3H166 E290 I291 A292 L464H166-D288 PolarHBondContact CE1-N 3.43Å; H166-D288 PolarHBondContact CE1-O 2.96Å; H166-D288 WeakPolarHBondContact ND1-CB 3.29Å; H166-D288 PolarHBondContact ND1-N 3.3Å; D288-E290 PolarHBondContact O-N 3.38Å; D288-E290 WeakPolarHBondContact OD1-CB 3.42Å; D288-E290 PolarHBondContact OD1-N 2.89Å; D288-I291 HydrophobicContact CB-CB 4.14Å; D288-I291 HydrophobicContact CB-CD1 3.93Å; D288-I291 HydrophobicContact CB-CG1 4.09Å; D288-I291 PolarHBondContact O-N 3.5Å; D288-I291 PolarHBondContact OD1-N 3.44Å; D288-I291 VanDerWaalsContact OD2-CD1 3.29Å; D288-I291 WeakPolarHBondContact OD2-CD1 3.05Å; D288-A292 PolarHBondContact O-N 2.95Å; D288-L464 HydrophobicContact CB-CD2 3.77Å
289P87.4Confident86.1Confident36 Ų3649.5 Ų49.523%0.23428%0.276CS..Hα-helixtrans-59.1-32-177.8-24.434.4000113.4A292 L293 P463P289-A292 PolarHBondContact O-N 2.64Å; P289-L293 WeakPolarHBondContact O-CB 3.37Å; P289-L293 PolarHBondContact O-N 2.91Å; P289-P463 WeakPolarHBondContact CD-O 3.25Å
290E86.1Confident84.9Confident110 Ų11049.9 Ų49.951%0.51429%0.288SS..Hα-helixtrans-69.3-44.2-179.2-63.9-177.9-179.700110.8D288 L293 A294D288-E290 PolarHBondContact O-N 3.38Å; D288-E290 WeakPolarHBondContact OD1-CB 3.42Å; D288-E290 PolarHBondContact OD1-N 2.89Å; E290-L293 PolarHBondContact O-N 2.89Å; E290-A294 PolarHBondContact O-N 2.82Å
291I87Confident83.1Confident87 Ų8753 Ų5345%0.44632%0.321SS..Hα-helixtrans-65-42.6175.7-62.4176.7000110.6D288 L293 A294 S295D288-I291 HydrophobicContact CB-CB 4.14Å; D288-I291 HydrophobicContact CB-CD1 3.93Å; D288-I291 HydrophobicContact CB-CG1 4.09Å; D288-I291 PolarHBondContact O-N 3.5Å; D288-I291 PolarHBondContact OD1-N 3.44Å; D288-I291 VanDerWaalsContact OD2-CD1 3.29Å; D288-I291 WeakPolarHBondContact OD2-CD1 3.05Å; I291-L293 VanDerWaalsContact C-N 3.34Å; I291-L293 PolarHBondContact O-N 2.95Å; I291-A294 PolarHBondContact O-N 3.28Å; I291-S295 PolarHBondContact O-N 3.39Å; I291-S295 PolarHBondContact O-OG 3.42Å
292A85.7Confident81.2Confident18 Ų1860.1 Ų60.115%0.14936%0.359CS..Hα-helixtrans-62.1-42.2178.900000112D288 P289 S295 S296D288-A292 PolarHBondContact O-N 2.95Å; P289-A292 PolarHBondContact O-N 2.64Å; A292-S295 PolarHBondContact O-N 2.93Å; A292-S295 PolarHBondContact O-OG 3.18Å; A292-S296 PolarHBondContact O-N 3.08Å; A292-S296 VanDerWaalsContact O-N 3.08Å; A292-S296 PolarHBondContact O-OG 3.48Å
293L84.6Confident79.3Confident106 Ų10666.7 Ų66.756%0.55539%0.394SS*.Hα-helixtrans-64.7-43.6176.6-177.661.1000111.7P289 E290 I291 S295 S296 L297P289-L293 WeakPolarHBondContact O-CB 3.37Å; P289-L293 PolarHBondContact O-N 2.91Å; E290-L293 PolarHBondContact O-N 2.89Å; I291-L293 VanDerWaalsContact C-N 3.34Å; I291-L293 PolarHBondContact O-N 2.95Å; L293-S295 PolarHBondContact O-N 3.02Å; L293-S296 PolarHBondContact O-N 3.14Å; L293-L297 HydrophobicContact CG-CD1 4.4Å; L293-L297 WeakPolarHBondContact O-CG 3.39Å; L293-L297 PolarHBondContact O-N 3.38Å
294A84.6Confident76.9Confident45 Ų4569.3 Ų69.337%0.37243%0.425SS..Hα-helixtrans-59.1-46.2176.400000111.7E290 I291 S296 L297 E298E290-A294 PolarHBondContact O-N 2.82Å; I291-A294 PolarHBondContact O-N 3.28Å; A294-S296 VanDerWaalsContact C-N 3.28Å; A294-S296 PolarHBondContact O-N 3.08Å; A294-L297 PolarHBondContact O-N 3.14Å; A294-E298 PolarHBondContact O-N 2.99Å
295S80.3Confident74.4Confident54 Ų5477.8 Ų77.838%0.37847%0.465SS..Hα-helixtrans-62.9-33.5177.463.50000113.4I291 A292 L293 L297 E298 D299I291-S295 PolarHBondContact O-N 3.39Å; I291-S295 PolarHBondContact O-OG 3.42Å; A292-S295 PolarHBondContact O-N 2.93Å; A292-S295 PolarHBondContact O-OG 3.18Å; L293-S295 PolarHBondContact O-N 3.02Å; S295-L297 VanDerWaalsContact C-N 3.31Å; S295-L297 PolarHBondContact O-N 3.46Å; S295-E298 PolarHBondContact O-N 2.62Å; S295-D299 PolarHBondContact O-N 2.96Å
296S76Confident71.8Confident76 Ų7681.6 Ų81.653%0.53150%0.504SS..Hα-helixtrans-71.8-26.4179-55.80000112.8A292 L293 A294A292-S296 PolarHBondContact O-N 3.08Å; A292-S296 VanDerWaalsContact O-N 3.08Å; A292-S296 PolarHBondContact O-OG 3.48Å; L293-S296 PolarHBondContact O-N 3.14Å; A294-S296 VanDerWaalsContact C-N 3.28Å; A294-S296 PolarHBondContact O-N 3.08Å
297L78.6Confident69.6Low121 Ų12187.2 Ų87.263%0.63454%0.539SS*.Hα-helixtrans-80.8-33.2177.1-70.7165.7000112L293 A294 S295L293-L297 HydrophobicContact CG-CD1 4.4Å; L293-L297 WeakPolarHBondContact O-CG 3.39Å; L293-L297 PolarHBondContact O-N 3.38Å; A294-L297 PolarHBondContact O-N 3.14Å; S295-L297 VanDerWaalsContact C-N 3.31Å; S295-L297 PolarHBondContact O-N 3.46Å
298E74.9Confident67Low121 Ų12190.9 Ų90.957%0.56558%0.578SS**Hα-helixtrans-68.8-42.1177.5-70.2177.2-178.400111.7A294 S295 A300 G301A294-E298 PolarHBondContact O-N 2.99Å; S295-E298 PolarHBondContact O-N 2.62Å; E298-A300 VanDerWaalsContact C-N 3.25Å; E298-A300 PolarHBondContact O-N 2.94Å; E298-G301 PolarHBondContact O-N 3.47Å
299D64.1Low64.4Low130 Ų13093 Ų9370%0.69561%0.607SS**THydrogen-bonded Turntrans-68.5-20.8179.1-83.9-12.4000113.6S295S295-D299 PolarHBondContact O-N 2.96Å
300A61.6Low62.2Low70 Ų7096.2 Ų96.258%0.57964%0.637SS**THydrogen-bonded Turntrans-87.7-7.5178.700000113.9E298E298-A300 VanDerWaalsContact C-N 3.25Å; E298-A300 PolarHBondContact O-N 2.94Å
301G53.8Low59.6Low67 Ų67102.3 Ų102.369%0.69166%0.655SS**SBendtrans-94.2-6.3-171.200000116.3E298E298-G301 PolarHBondContact O-N 3.47Å
302D53.2Low57.4Low149 Ų149105.9 Ų105.980%0.79768%0.681SS**  trans-93.310.6-172-159.335.2000114.2G304D302-G304 PolarHBondContact O-N 3.38Å
303D53.3Low55.1Low139 Ų139108.4 Ų108.474%0.74371%0.709SS**SBendtrans-94.775.4-176.4-59.3-16.2000112.7
304G42.8Very low52.8Low75 Ų75107 Ų10777%0.77372%0.719SS**  trans86.290.7145.900000119.6D302D302-G304 PolarHBondContact O-N 3.38Å
305E40.2Very low50.6Low182 Ų182110.4 Ų110.485%0.8574%0.74SS**  trans-116.778.3150-151.6174.7-175.200109.5T307E305-T307 PolarHBondContact O-N 3.11Å; E305-T307 VanDerWaalsContact O-N 3.14Å
306G40Very low48.6Very low79 Ų79115 Ų11581%0.81477%0.765SS**  trans-7495.1170.600000110.4G308G306-G308 PolarHBondContact O-N 3.26Å; G306-G308 VanDerWaalsContact O-N 3.11Å
307T44.6Very low46.8Very low129 Ų129115 Ų11579%0.79178%0.776SS**  trans-67.1101.3176.9380000111.8E305 G309E305-T307 PolarHBondContact O-N 3.11Å; E305-T307 VanDerWaalsContact O-N 3.14Å; T307-G309 PolarHBondContact O-N 3.09Å
308G37.2Very low44.9Very low82 Ų82114.6 Ų114.685%0.84579%0.79SS**  trans-78.787.6165.400000111.3G306G306-G308 PolarHBondContact O-N 3.26Å; G306-G308 VanDerWaalsContact O-N 3.11Å
309G37.5Very low43.1Very low77 Ų77112.7 Ų112.779%0.79480%0.804SS**  trans-86.1103.5174.100000112.6T307T307-G309 PolarHBondContact O-N 3.09Å
310A39.2Very low42Very low104 Ų104114 Ų11486%0.8682%0.816SS**  trans-94.2125.9166.800000110.8
311R33.2Very low40.9Very low237 Ų237114.4 Ų114.489%0.89483%0.827SS**  trans-63.4150-176.6-57.6166170.8179.4-4.9113.3
312V40Very low40.1Very low162 Ų162115 Ų11598%0.98283%0.833SS**  -167.5130.5129.7178.30000110.9
313G37.9Very low39.4Very low72 Ų72112.2 Ų112.274%0.74284%0.839SS**  trans141108.8166.700000109.9
314G35.9Very low38.6Very low75 Ų75109.4 Ų109.477%0.77384%0.844SS**  cis79.5117.844.400000109
315C38.8Very low38.2Very low118 Ų118110 Ų11080%0.79785%0.85SS**  cis-163.51629.2-660000109.6
316V38.5Very low38.1Very low151 Ų151105.2 Ų105.292%0.91585%0.849SS**  trans66.2131.1147.5-71.60000125.6
317G38Very low38Very low74 Ų74106.6 Ų106.676%0.76385%0.846SS**  trans122.379.6145.300000116.4
318A38.7Very low37.8Very low113 Ų113107.5 Ų107.593%0.93485%0.846SS**  72.2113.69300000116.8
319G36.6Very low37.9Very low82 Ų82109.2 Ų109.285%0.84585%0.845SS**  trans173.3118.5166.900000112.7
320V41.3Very low37.9Very low157 Ų157108.7 Ų108.795%0.95284%0.84SS**  trans-109148.8-159.9168.40000112.7
321G37.5Very low37.7Very low78 Ų78110.1 Ų110.180%0.80484%0.837SS**  trans131.9130.4155.700000113
322G38.7Very low37.8Very low80 Ų80106.7 Ų106.783%0.82584%0.836SS**  cis148.5115.22.400000109.5
323G37.2Very low37.6Very low90 Ų90107 Ų10793%0.92883%0.827SS**  trans70.5145.8163.900000117.2
324G36.1Very low38Very low81 Ų81109.3 Ų109.384%0.83583%0.829SS**  cis159135.63.300000108.7
325G36Very low38.1Very low87 Ų87111.6 Ų111.690%0.89782%0.823SS**  trans86.2135149.100000120.3
326G36.5Very low38Very low81 Ų81111.1 Ų111.184%0.83582%0.821SS**  trans114.4112.8131.900000117.5
327S39.7Very low37.8Very low109 Ų109115.1 Ų115.176%0.76282%0.82SS**  trans-84.1168.8-173.7-40.80000115.7
328N39.6Very low37.5Very low147 Ų147115 Ų11579%0.78682%0.819SS**  trans95.3115.1141-74.10.7000122.1
329S39.3Very low37.3Very low118 Ų118119.8 Ų119.883%0.82582%0.819SS**  70.1126.9125.870.60000121
330G37Very low37Very low66 Ų66123 Ų12368%0.6882%0.817SS**  137.7104.4125.200000117.1
331V34.3Very low36.7Very low134 Ų134122.6 Ų122.681%0.81281%0.809SS**  55.1129.5130-164.60000119.4
332L35.8Very low36.3Very low166 Ų166129.6 Ų129.687%0.86981%0.811SS**  168.6123.7120.1-84.5165000111.9
333E35.3Very low36Very low167 Ų167133.9 Ų133.978%0.7881%0.812SS**  trans-73174.5160.2-62.4-165.8108.500111.2
334P46.5Very low35.8Very low121 Ų121135.4 Ų135.479%0.78680%0.803SS**  -153.8138.191.134.6-13.1000118.4
335N38.2Very low35.4Very low123 Ų123136.6 Ų136.666%0.65880%0.799SS**  58142.5122.3-98.3-29.6000126.4
336S37.4Very low35.1Very low108 Ų108137.9 Ų137.976%0.75579%0.794SS**  trans107.3141.7133.469.30000119.8
337R33.4Very low34.7Very low235 Ų235137.2 Ų137.289%0.88779%0.787SS**  cis-174.3146.6-29.3-114.3179.4-173171.62107.1
338G32.8Very low34.1Very low72 Ų72140.4 Ų140.474%0.74280%0.796SS**  trans110.3113.4141.800000119.8
339F33.4Very low33.7Very low214 Ų214136.7 Ų136.794%0.93979%0.792SS**  177.4140.4100.2-124.2-95.8000112.3
340D32Very low33.1Very low148 Ų148139.8 Ų139.879%0.79180%0.798SS**  trans-92.5155.7-171-73-70.6000115.6
341D34.9Very low32.7Very low149 Ų149140.4 Ų140.480%0.79780%0.804SS**  trans178104.8131.4-106.7-29.6000110.7
342R29.2Very low32.3Very low225 Ų225139.3 Ų139.385%0.84980%0.803SS**  61.1108.593.3-85-174.4173.1159.50.2117.7
343M31.3Very low31.9Very low171 Ų171139.6 Ų139.684%0.84280%0.804SS**  161.4126.3103.9-94.6-154.2169.200115.2
344V32.4Very low31.4Very low122 Ų122136.1 Ų136.174%0.73980%0.799SS**  trans75.8106.2137.3-177.50000118.6
345S28.5Very low30.5Very low106 Ų106135.4 Ų135.474%0.74180%0.796SS**  79.4137.281.3-140.10000112.1
346S29.6Very low30Very low114 Ų114137.1 Ų137.180%0.79780%0.801SS**  cis-155.7164.72.9-63.10000104.2
347G28.7Very low29.5Very low67 Ų67143.5 Ų143.569%0.69181%0.808SS**  cis175.7161.328.800000108.9
348D27.1Very low29.3Very low176 Ų176140.3 Ų140.394%0.94180%0.803SS**  trans-73.9164.8-165.6-53.7-73.8000115.5
349G29.7Very low28.9Very low68 Ų68142.9 Ų142.970%0.70181%0.809SS**  trans168.775.3163.100000115.9
350L28.5Very low28.7Very low183 Ų183136.3 Ų136.396%0.95880%0.801SS**  trans35.7119.1135.3-51.6170.8000117.1
351G28.1Very low28.4Very low79 Ų79140.7 Ų140.781%0.81481%0.806SS**  174.4146.661.200000112.4
352S25.4Very low28.1Very low112 Ų112141.8 Ų141.878%0.78381%0.811SS**  trans-64.9139.8174.2172.60000112.2
353L27Very low28.1Very low171 Ų171136.4 Ų136.490%0.89581%0.808SS**  trans-154.9104.7139.8-103.3165.1000109.5
354S24.5Very low28Very low95 Ų95136 Ų13666%0.66481%0.806SS**  trans-68.7137.3165.9177.60000110.3
355S29.3Very low27.9Very low105 Ų105134.8 Ų134.873%0.73481%0.809SS**  trans-156.384.5155.5-76.60000110.1
356Q25.9Very low27.9Very low160 Ų160141.2 Ų141.275%0.74882%0.817SS**  trans-9.3120.8142.9-168.4172.722.600116.2
357W27.7Very low27.9Very low242 Ų242141.5 Ų141.592%0.91782%0.819SS**  trans-133.5132.7150.7-77.796.4000110.3
358Q28.3Very low27.9Very low167 Ų167144 Ų14478%0.7883%0.825SS**  trans-72.7148.4-165.1-76.7166-13.700113.3G360Q358-G360 PolarHBondContact O-N 3.37Å
359C25.2Very low28.2Very low127 Ų127143.4 Ų143.486%0.85882%0.821SS**  trans-64.1117168.8-166.40000110.2
360G28.7Very low28.4Very low75 Ų75146.6 Ų146.677%0.77383%0.827SS**  trans-86.4101.7166.200000109.9Q358Q358-G360 PolarHBondContact O-N 3.37Å
361R25.6Very low28.4Very low241 Ų241146.2 Ų146.291%0.90982%0.824SS**  trans-84.6113169.8-170-171.3-101.8-147.5-4.6107.1
362L30.1Very low28.5Very low172 Ų172146.1 Ų146.190%0.90182%0.824SS**  trans-125.2129.3171-82.2168.9000110.2
363S29Very low28.7Very low112 Ų112149.2 Ų149.278%0.78383%0.831SS**PPolyproline II helixtrans-75.5136.7-176.159.60000112.1A365S363-A365 PolarHBondContact O-N 2.81Å
364M28.4Very low28.9Very low162 Ų162146.5 Ų146.580%0.79883%0.826SS**PPolyproline II helixtrans-68.1122.6166.9-80.2-158.2-10400110.9
365A31.1Very low29.2Very low97 Ų97147.5 Ų147.580%0.80283%0.833SS**PPolyproline II helixtrans-100122162.400000108.8S363S363-A365 PolarHBondContact O-N 2.81Å
366R27.4Very low29.3Very low241 Ų241147.8 Ų147.891%0.90984%0.835SS**PPolyproline II helixtrans-77.9123.9177.9-63.9169.876.9172.64.9109.7
367S30.2Very low29.6Very low119 Ų119144.7 Ų144.783%0.83284%0.837SS**  trans-128.7113.9159.6-79.80000109.8
368S29.6Very low29.7Very low119 Ų119138 Ų13883%0.83283%0.832SS**  trans-70.5122.7171.9540000110.8
369I33.5Very low29.9Very low164 Ų164135 Ų13584%0.84184%0.836SS**  trans-135.5132.8156.2-70.5-174000110
370V32.2Very low30Very low136 Ų136138.3 Ų138.382%0.82484%0.839SS**  trans-64.9135.8-175.2171.70000111.9
371L29.3Very low30.1Very low174 Ų174139.6 Ų139.691%0.91184%0.843SS**  trans-71.9123.1170.9-74167.6000110.9
372G29.2Very low30.4Very low78 Ų78133 Ų13380%0.80484%0.84SS**  trans-113.7123.8165.500000110.5
373L30Very low30.5Very low177 Ų177130.4 Ų130.493%0.92784%0.836SS**  trans-82.4135178.6-69.6156.6000111.9
374S32.7Very low30.5Very low114 Ų114131.1 Ų131.180%0.79784%0.84SS**  trans176.5107.9146.153.80000109.1
375S30.9Very low30.7Very low116 Ų116126.8 Ų126.881%0.81184%0.837SS**  71.7111.884.3-172.20000116.3
376S31.2Very low30.9Very low111 Ų111129.2 Ų129.278%0.77684%0.841SS**  trans62.3122.7136.3-174.80000121.2
377A32.1Very low31Very low95 Ų95121.5 Ų121.579%0.78584%0.837SS**  163.9143.3104.100000112.5
378A28.7Very low31.2Very low100 Ų100119.8 Ų119.883%0.82684%0.837SS**  trans-73.6159.4176.300000113.8
379A32.5Very low31.1Very low104 Ų104121.2 Ų121.286%0.8684%0.841SS**  trans-170124.3140.200000111.6
380E27Very low31Very low197 Ų197117.1 Ų117.192%0.92184%0.839SS**  trans-68.1152.9161-62.6-171.7110.200111.4
381A32.1Very low30.9Very low103 Ų103117.5 Ų117.585%0.85184%0.841SS**  trans-166.4133.7140.800000112.1
382A30.8Very low31Very low103 Ų103112.9 Ų112.985%0.85184%0.836SS**  trans-67165176.600000114.6
383S32.9Very low30.9Very low116 Ų116119.3 Ų119.381%0.81184%0.842SS**  178.5135.4127.9172.10000113.6
384C28.2Very low31Very low128 Ų128114.7 Ų114.787%0.86584%0.837SS**  trans-36.3160.9169.5-62.90000119.6
385G33Very low30.8Very low71 Ų71116.3 Ų116.373%0.73284%0.842SS**  trans172.771.7157.600000118.7
386V36.3Very low30.8Very low148 Ų148114.4 Ų114.490%0.89784%0.841SS**  trans48.2115.4133.3-169.40000121.4
387G29.6Very low30.9Very low79 Ų79116.8 Ų116.881%0.81485%0.845SS**  85.6127.3113.700000120.7
388G32.7Very low30.9Very low82 Ų82116.5 Ų116.585%0.84584%0.843SS**  trans164.897.6160.900000114.5
389V28.4Very low31.1Very low150 Ų150117.8 Ų117.891%0.90985%0.846SS**  trans-86.7143.2174.2174.90000109.8
390G31.9Very low31.1Very low77 Ų77120 Ų12079%0.79485%0.849SS**  trans-173.6104.9169.500000114.1
391V28.9Very low31.5Very low145 Ų145114.2 Ų114.288%0.87984%0.842SS**  trans-79.7153.3175.4-85.10000112.5
392G31.6Very low31.7Very low77 Ų77116.7 Ų116.779%0.79484%0.841SS**  trans174.2111.9164.600000115.1
393F27.5Very low32.3Very low213 Ų213119.3 Ų119.393%0.93484%0.841SS**  trans-70.6157.2178.5-80.8-103000114.1
394G31.9Very low32.6Very low80 Ų80121.7 Ų121.783%0.82584%0.844SS**  trans-173.3104.7163.300000113.2
395T28.3Very low33.4Very low147 Ų147121.7 Ų121.790%0.90284%0.836SS**  trans-76.5149.6177.445.90000113.4
396G31.9Very low34Very low77 Ų77127.7 Ų127.779%0.79485%0.845SS**  trans-179.496.8166.500000116.5
397N33.4Very low34Very low161 Ų161129.5 Ų129.586%0.86184%0.844SS**  trans28.8118.9150.9-78.118000124.1
398A30.7Very low34.8Very low89 Ų89133.1 Ų133.174%0.73684%0.839SS**  42.8118.7113.200000120.6
399S34.8Very low35.2Very low127 Ų127137 Ų13789%0.88884%0.841SS**  -159.3127.5127.23.50000110.2
400T31.2Very low35.7Very low150 Ų150130.9 Ų130.992%0.9281%0.807SS**  trans-73.5135.7178.642.90000110.8
401G36.3Very low36Very low76 Ų76132 Ų13278%0.78479%0.794SS**  trans-148.3109.7168.700000108.3
402D34.9Very low36.6Very low154 Ų154129 Ų12982%0.82478%0.78SS**  trans-52.5136.7173.1-60.9-57.1000111.2
403D44.4Very low37.2Very low158 Ų158129.6 Ų129.685%0.84576%0.764SS**  trans-169.5115.3145.2-90.5-32000108.2D405D403-D405 PolarHBondContact O-N 2.88Å
404D38.3Very low37.8Very low166 Ų166125 Ų12589%0.88876%0.755SS**  trans-54.6117.7176.9-61.6-69.7000111.9
405D46.3Very low38.3Very low129 Ų129129.1 Ų129.169%0.6975%0.753SS**  trans-142.6119.1161.8-93.3-35.7000107.1D403D403-D405 PolarHBondContact O-N 2.88Å
406E45Very low38.6Very low196 Ų196128.8 Ų128.892%0.91675%0.746SS**  trans-46.6130.8-172.6-60.7-178.4160.500113.9E408E406-E408 PolarHBondContact O-N 2.87Å
407E36.9Very low38.5Very low187 Ų187133 Ų13387%0.87475%0.75SS**  trans-6398.6175.5-70.9-172.3162.600111.1
408E46.8Very low38.5Very low154 Ų154129.1 Ų129.172%0.7273%0.732SS**  trans-96.1112151.6-85.2-160.1153.500108.8E406 G410E406-E408 PolarHBondContact O-N 2.87Å; E408-G410 VanDerWaalsContact C-N 3.29Å; E408-G410 PolarHBondContact O-N 2.79Å
409D39.8Very low38.5Very low165 Ų165134.1 Ų134.188%0.88274%0.74SS**  trans-5784.9172-75.8-41.8000111.5
410G38.7Very low38.6Very low20 Ų20133.2 Ų133.221%0.20673%0.729CS.*  trans-122.3130.5171.100000110.3E408 S412E408-G410 VanDerWaalsContact C-N 3.29Å; E408-G410 PolarHBondContact O-N 2.79Å; G410-S412 PolarHBondContact O-N 2.88Å
411I39.7Very low38.7Very low101 Ų101131.2 Ų131.252%0.51872%0.719SS.*  trans-65.796.8174.8-65.6156.7000108.1D23D23-I411 HydrophobicContact CB-CD1 3.65Å; D23-I411 VanDerWaalsContact CG-CD1 3.4Å; D23-I411 WeakPolarHBondContact OD2-CD1 3.39Å
412S39.9Very low38.7Very low83 Ų83134 Ų13458%0.5872%0.721SS**BIsolated β-bridgetrans-69.7124.1168.3470000109.2G410G410-S412 PolarHBondContact O-N 2.88Å
413I45.7Very low39.1Very low88 Ų88132 Ų13245%0.45172%0.719SS.*PPolyproline II helixtrans-63.7126.3165.2-58.6178000106.5E415I413-E415 PolarHBondContact O-N 2.97Å
414P40Very low38.7Very low116 Ų116133 Ų13375%0.75372%0.718SS**PPolyproline II helixtrans-58.2129.7-169.820.5-31.8000111.7N416P414-N416 PolarHBondContact O-N 2.82Å; P414-N416 VanDerWaalsContact O-N 3.16Å
415E41.4Very low38.8Very low168 Ų168133.1 Ų133.179%0.78572%0.718SS**  trans-64.1108.7169.8-64.5-176.4147.500108.3I413 N417I413-E415 PolarHBondContact O-N 2.97Å; E415-N417 PolarHBondContact O-N 3.17Å; E415-N417 VanDerWaalsContact O-N 3.14Å
416N34.3Very low38.9Very low140 Ų140133 Ų13375%0.74972%0.722SS**  trans-76.5101.8161.5-158.719.1000106.5P414 T418P414-N416 PolarHBondContact O-N 2.82Å; P414-N416 VanDerWaalsContact O-N 3.16Å; N416-T418 VanDerWaalsContact CG-OG1 3.32Å; N416-T418 PolarHBondContact ND2-OG1 2.96Å; N416-T418 VanDerWaalsContact ND2-OG1 3.07Å; N416-T418 PolarHBondContact O-N 3.16Å
417N30.8Very low39Very low164 Ų164129.2 Ų129.288%0.87772%0.715SS**  trans-7168.2175.2-150.221.3000108.7E415E415-N417 PolarHBondContact O-N 3.17Å; E415-N417 VanDerWaalsContact O-N 3.14Å
418T32.7Very low39.8Very low80 Ų80126 Ų12649%0.49171%0.71SS.*  trans-99.8114.6173.7-52.40000107N416 V420N416-T418 VanDerWaalsContact CG-OG1 3.32Å; N416-T418 PolarHBondContact ND2-OG1 2.96Å; N416-T418 VanDerWaalsContact ND2-OG1 3.07Å; N416-T418 PolarHBondContact O-N 3.16Å; T418-V420 WeakPolarHBondContact O-CG2 3.32Å; T418-V420 PolarHBondContact O-N 3.01Å
419Q31.2Very low39.7Very low194 Ų194126.5 Ų126.591%0.90772%0.718SS**  trans-56.993.8160.9-85.6175.9-8.500107.7
420V36Very low40.3Very low109 Ų109123.7 Ų123.766%0.66171%0.711SS**  trans-75.4127170.2-161.90000106.5T418 T422T418-V420 WeakPolarHBondContact O-CG2 3.32Å; T418-V420 PolarHBondContact O-N 3.01Å; V420-T422 PolarHBondContact O-N 3.16Å; V420-T422 VanDerWaalsContact O-N 3.14Å
421P32.8Very low40.8Very low108 Ų108127.2 Ų127.270%0.70173%0.73SS**  trans-56.3120.9179.6-20.530.7000110S423P421-S423 PolarHBondContact O-N 3.14Å
422T38.1Very low41Very low135 Ų135128.5 Ų128.583%0.82875%0.745SS**THydrogen-bonded Turntrans-75.524.9-172.240.90000114.3V420V420-T422 PolarHBondContact O-N 3.16Å; V420-T422 VanDerWaalsContact O-N 3.14Å
423S41.7Very low40.8Very low110 Ų110128.1 Ų128.177%0.76975%0.754SS**THydrogen-bonded Turntrans-106.35-166-520000115.6P421P421-S423 PolarHBondContact O-N 3.14Å
424E37.2Very low40.3Very low180 Ų180128.8 Ų128.884%0.84177%0.773SS**SBendtrans-131.619.2-170.9-119179.8175.900116.1
425L40.4Very low40.2Very low168 Ų168129.9 Ų129.988%0.8877%0.768SS**  trans-123.138.2-174.8-62.8177.4000114.9
426T47.5Very low40Very low127 Ų127127.6 Ų127.678%0.77977%0.769SS**PPolyproline II helixtrans-72.7130.2160.537.60000109.5
427P47.9Very low40Very low116 Ų116126.9 Ų126.975%0.75377%0.765SS**PPolyproline II helixtrans-56.2135.7174.2-17.929.1000109.8
428P52.5Low40.4Very low121 Ų121124.9 Ų124.979%0.78676%0.761SS**PPolyproline II helixtrans-62.3137.8173.925.3-32000110.1S430P428-S430 PolarHBondContact O-N 3Å
429D46.6Very low40.7Very low163 Ų163127.4 Ų127.487%0.87277%0.767SS**PPolyproline II helixtrans-49.9134172.5-89.3-40.7000110.5P431D429-P431 WeakPolarHBondContact O-CD 3.44Å
430S51.6Low41.4Very low107 Ų107125.9 Ų125.975%0.74876%0.764SS**PPolyproline II helixtrans-61.3121.6-174.9-64.10000110.8P428P428-S430 PolarHBondContact O-N 3Å
431P49.4Very low42.4Very low93 Ų93123.8 Ų123.860%0.60475%0.746SS**PPolyproline II helixtrans-66.5151.2170.326.4-30.8000110.2D429 G433D429-P431 WeakPolarHBondContact O-CD 3.44Å; P431-G433 PolarHBondContact O-N 3.07Å
432P43.6Very low43.5Very low129 Ų129123.6 Ų123.684%0.83875%0.748SS**PPolyproline II helixtrans-59.3135.5178.2-15.227.9000110.2A434P432-A434 PolarHBondContact O-N 2.93Å; P432-A434 VanDerWaalsContact O-N 3.14Å
433G35.2Very low45Very low74 Ų74118.9 Ų118.976%0.76373%0.726SS**  trans-50113.2-17000000114.3P431 E435P431-G433 PolarHBondContact O-N 3.07Å; G433-E435 VanDerWaalsContact C-N 3.25Å; G433-E435 PolarHBondContact O-N 3.31Å; G433-E435 VanDerWaalsContact O-N 3.16Å
434A36.6Very low46.8Very low103 Ų103120.8 Ų120.885%0.85172%0.723SS**  trans-76.688.8151.100000106.4P432 C436P432-A434 PolarHBondContact O-N 2.93Å; P432-A434 VanDerWaalsContact O-N 3.14Å; A434-C436 PolarHBondContact O-N 3.26Å
435E36.7Very low49.2Very low138 Ų138114 Ų11465%0.64569%0.692SS**  trans-54.2124.5164-66.3-165.1149.500107.5G433 L437G433-E435 VanDerWaalsContact C-N 3.25Å; G433-E435 PolarHBondContact O-N 3.31Å; G433-E435 VanDerWaalsContact O-N 3.16Å; E435-L437 PolarHBondContact O-N 3.4Å
436C37.7Very low51.3Low120 Ų120109.8 Ų109.881%0.81167%0.667SS**  trans-63.590165.9-174.60000105.8A434A434-C436 PolarHBondContact O-N 3.26Å
437L35Very low53Low125 Ų125108.6 Ų108.665%0.65466%0.662SS**  trans-51.3135.5175.9-73175.2000107.4E435 Q439E435-L437 PolarHBondContact O-N 3.4Å; L437-Q439 VanDerWaalsContact C-N 3.3Å; L437-Q439 PolarHBondContact O-N 3.47Å
438P37.7Very low54.7Low122 Ų122105.8 Ų105.879%0.79264%0.643SS**  trans-56.398.8173.8-19.329.7000108.2L440P438-L440 PolarHBondContact O-N 2.91Å
439Q39.8Very low56.3Low134 Ų134101.7 Ų101.763%0.62661%0.614SS**  trans-62.7110.3172.7-83.2-176.1-24.900106.1R162 L437 F441R162-Q439 PolarHBondContact NH2-O 3.45Å; L437-Q439 VanDerWaalsContact C-N 3.3Å; L437-Q439 PolarHBondContact O-N 3.47Å; Q439-F441 PolarHBondContact O-N 3.23Å; Q439-F441 VanDerWaalsContact O-N 3.17Å
440L46.1Very low58.4Low161 Ų16194.2 Ų94.284%0.84357%0.574SS**  trans-41.1124.1174.9-124.692000108.2P438 S442P438-L440 PolarHBondContact O-N 2.91Å; L440-S442 PolarHBondContact O-N 3.01Å
441F57.4Low60.3Low66 Ų6691.1 Ų91.129%0.28955%0.548SS..  trans-55.4111.8-175177.9-114.2000109.5L163 Q439 G443 L445 I465L163-F441 HydrophobicContact CD1-CD2 4.23Å; L163-F441 HydrophobicContact CD1-CE2 3.99Å; L163-F441 HydrophobicContact CD2-CB 4.29Å; L163-F441 HydrophobicContact CD2-CD2 3.68Å; L163-F441 HydrophobicContact CD2-CE2 4.27Å; L163-F441 HydrophobicContact CD2-CG 4.11Å; Q439-F441 PolarHBondContact O-N 3.23Å; Q439-F441 VanDerWaalsContact O-N 3.17Å; F441-G443 VanDerWaalsContact CE1-CA 3.48Å; F441-G443 WeakPolarHBondContact CZ-O 3.29Å; F441-G443 PolarHBondContact O-N 3.34Å; F441-L445 HydrophobicContact CE2-CD2 4.08Å; F441-L445 HydrophobicContact CZ-CD2 4.33Å; F441-I465 HydrophobicContact CE1-CD1 3.7Å; F441-I465 HydrophobicContact CE2-CD1 3.94Å; F441-I465 HydrophobicContact CZ-CD1 3.31Å
442S55.6Low62.5Low104 Ų10486.9 Ų86.973%0.72752%0.52SS*.  trans-71.914.3-175.3-173.60000113.1L440 E444L440-S442 PolarHBondContact O-N 3.01Å; S442-E444 PolarHBondContact O-N 3.48Å; S442-E444 VanDerWaalsContact O-N 3.08Å
443G68.2Low64.9Low36 Ų3681.6 Ų81.637%0.37149%0.488SS..SBendtrans75.6-22.2-171.800000113.9F441 K455F441-G443 VanDerWaalsContact CE1-CA 3.48Å; F441-G443 WeakPolarHBondContact CZ-O 3.29Å; F441-G443 PolarHBondContact O-N 3.34Å; G443-K455 WeakPolarHBondContact O-CE 3.36Å; G443-K455 PolarHBondContact O-NZ 3.05Å
444E81.3Confident67.7Low150 Ų15079.3 Ų79.370%0.70146%0.458SS*.SBendtrans-100.4141.4179.8-68.8-173.6177.100113.4S442S442-E444 PolarHBondContact O-N 3.48Å; S442-E444 VanDerWaalsContact O-N 3.08Å
445L85.8Confident70.3Confident37 Ų3778.7 Ų78.719%0.19444%0.436CS..PPolyproline II helixtrans-83.3131.4174.6-68.6173.3000109.2L163 F441 P447 E450 K455 I465L163-L445 HydrophobicContact CD1-CD2 3.94Å; F441-L445 HydrophobicContact CE2-CD2 4.08Å; F441-L445 HydrophobicContact CZ-CD2 4.33Å; L445-P447 WeakPolarHBondContact O-CD 3.14Å; L445-E450 WeakPolarHBondContact CA-OE2 3.46Å; L445-E450 HydrophobicContact CB-CB 4.22Å; L445-E450 HydrophobicContact CD2-CB 4.12Å; L445-E450 HydrophobicContact CD2-CG 4.29Å; L445-E450 WeakPolarHBondContact CD2-OE2 3.42Å; L445-K455 HydrophobicContact CD1-CG 3.88Å; L445-K455 HydrophobicContact CG-CG 4.29Å; L445-I465 HydrophobicContact CD1-CG2 4.3Å; L445-I465 HydrophobicContact CD2-CD1 4.16Å; L445-I465 HydrophobicContact CD2-CG2 3.92Å
446H85.7Confident72.9Confident79 Ų7973 Ų7337%0.36641%0.412SS..PPolyproline II helixtrans-74.6116.2177.5-168.4-89.7000109.8T448 L449 E450H446-T448 PolarHBondContact CE1-OG1 2.82Å; H446-T448 PolarHBondContact ND1-OG1 3.45Å; H446-T448 PolarHBondContact O-N 3.02Å; H446-L449 HydrophobicContact CB-CB 4.14Å; H446-L449 HydrophobicContact CB-CD1 4.31Å; H446-L449 HydrophobicContact CB-CG 4.44Å; H446-L449 PolarHBondContact ND1-N 3.5Å; H446-L449 PolarHBondContact O-N 3.18Å; H446-L449 VanDerWaalsContact O-N 3.09Å; H446-E450 PolarHBondContact N-OE2 2.98Å; H446-E450 WeakPolarHBondContact O-CB 3.5Å; H446-E450 PolarHBondContact O-N 3.29Å
447P82Confident75.4Confident102 Ų10268.6 Ų68.666%0.66238%0.382SS*.THydrogen-bonded Turntrans-59.9-29.5-167.221.9-33.6000113.7L445L445-P447 WeakPolarHBondContact O-CD 3.14Å
448T83.4Confident77.7Confident57 Ų5770.7 Ų70.735%0.3539%0.393SS..THydrogen-bonded Turntrans-89.7-29.1179.268.30000114R156 H446R156-T448 PolarHBondContact NH1-O 3.4Å; H446-T448 PolarHBondContact CE1-OG1 2.82Å; H446-T448 PolarHBondContact ND1-OG1 3.45Å; H446-T448 PolarHBondContact O-N 3.02Å
449L87.1Confident79.9Confident35 Ų3572 Ų7218%0.18339%0.392CS..THydrogen-bonded Turntrans-89.5-29.1-177.3-64.6174.3000111.2Q100 P161 H446Q100-L449 HydrophobicContact CG-CD2 4.11Å; P161-L449 HydrophobicContact CG-CB 4.31Å; P161-L449 HydrophobicContact CG-CD2 4.28Å; H446-L449 HydrophobicContact CB-CB 4.14Å; H446-L449 HydrophobicContact CB-CD1 4.31Å; H446-L449 HydrophobicContact CB-CG 4.44Å; H446-L449 PolarHBondContact ND1-N 3.5Å; H446-L449 PolarHBondContact O-N 3.18Å; H446-L449 VanDerWaalsContact O-N 3.09Å
450E91Very high82Confident7 Ų766.3 Ų66.33%0.03337%0.368CS..  trans-121.739.9-172.1-69.9154.2171.500110.3S160 L445 H446 Y452 G453 F467S160-E450 WeakPolarHBondContact OG-CG 3.41Å; S160-E450 PolarHBondContact OG-OE1 2.85Å; L445-E450 WeakPolarHBondContact CA-OE2 3.46Å; L445-E450 HydrophobicContact CB-CB 4.22Å; L445-E450 HydrophobicContact CD2-CB 4.12Å; L445-E450 HydrophobicContact CD2-CG 4.29Å; L445-E450 WeakPolarHBondContact CD2-OE2 3.42Å; H446-E450 PolarHBondContact N-OE2 2.98Å; H446-E450 WeakPolarHBondContact O-CB 3.5Å; H446-E450 PolarHBondContact O-N 3.29Å; E450-Y452 PolarHBondContact O-N 2.84Å; E450-Y452 VanDerWaalsContact O-N 3.11Å; E450-G453 WeakPolarHBondContact O-CA 3.19Å; E450-G453 PolarHBondContact O-N 3.21Å; E450-F467 HydrophobicContact CB-CE1 4.17Å; E450-F467 HydrophobicContact CG-CE1 4.05Å; E450-F467 HydrophobicContact CG-CZ 4.38Å
451H91.7Very high83.5Confident42 Ų4263.3 Ų63.319%0.19436%0.358CS..THydrogen-bonded Turntrans-50.2-36.8-179.3175.686000113.3G130 T132 Q136G130-H451 PolarHBondContact O-CE1 3.12Å; G130-H451 VanDerWaalsContact O-CE1 3.3Å; T132-H451 PolarHBondContact O-NE2 2.84Å; Q136-H451 PolarHBondContact NE2-CD2 3.37Å; Q136-H451 VanDerWaalsContact NE2-CD2 3.33Å; Q136-H451 PolarHBondContact NE2-CE1 2.92Å; Q136-H451 VanDerWaalsContact NE2-CE1 3.29Å; Q136-H451 PolarHBondContact NE2-ND1 2.65Å; Q136-H451 PolarHBondContact NE2-NE2 2.82Å
452Y94.8Very high84.7Confident4 Ų465.4 Ų65.42%0.01637%0.369CS..THydrogen-bonded Turntrans-89.91.9179.9-59.7-73.2000113.9L133 L134 Q136 V158 E450 F467 V468 A469L133-Y452 HydrophobicContact CD2-CD1 4.5Å; L134-Y452 PolarHBondContact O-OH 3.31Å; Q136-Y452 PolarHBondContact N-OH 3.45Å; V158-Y452 HydrophobicContact CB-CD2 4.4Å; V158-Y452 HydrophobicContact CG1-CD2 4.43Å; V158-Y452 HydrophobicContact CG1-CG 4.43Å; V158-Y452 HydrophobicContact CG2-CE2 4.39Å; E450-Y452 PolarHBondContact O-N 2.84Å; E450-Y452 VanDerWaalsContact O-N 3.11Å; Y452-F467 WeakPolarHBondContact O-CA 3.24Å; Y452-V468 WeakPolarHBondContact CD1-O 3.29Å; Y452-V468 PolarHBondContact O-N 3.38Å; Y452-A469 HydrophobicContact CD1-CB 3.55Å; Y452-A469 HydrophobicContact CE1-CB 3.69Å; Y452-A469 HydrophobicContact CG-CB 4.01Å
453G94Very high86.2Confident17 Ų1763.7 Ų63.718%0.17536%0.355CS..EExtended strand (participates in β ladder)trans-82.7132.5-174.200000112.8E450 Y466E450-G453 WeakPolarHBondContact O-CA 3.19Å; E450-G453 PolarHBondContact O-N 3.21Å; G453-Y466 CarbonylContact C-O 3.5Å; G453-Y466 WeakPolarHBondContact CA-O 3.39Å
454I93.5Very high87.3Confident26 Ų2663.6 Ų63.613%0.13335%0.346CS..EExtended strand (participates in β ladder)trans-132.2125.1176.7-56.6172.9000107.7I253 M261 Y466I253-I454 HydrophobicContact CD1-CG2 4.23Å; I253-I454 HydrophobicContact CG1-CG2 4.33Å; I253-I454 HydrophobicContact CG2-CG2 3.77Å; M261-I454 HydrophobicContact CB-CD1 4.07Å; M261-I454 HydrophobicContact CG-CD1 3.86Å; M261-I454 HydrophobicContact SD-CD1 3.35Å; M261-I454 WeakPolarHBondContact SD-CD1 3.48Å; I454-Y466 PolarHBondContact N-O 2.88Å; I454-Y466 PolarHBondContact O-N 2.87Å
455K92.5Very high87.8Confident90 Ų9056.7 Ų56.739%0.39131%0.314SS..EExtended strand (participates in β ladder)trans-76.9149.6175.4-64176.5-179.4174.30110.6G443 L445G443-K455 WeakPolarHBondContact O-CE 3.36Å; G443-K455 PolarHBondContact O-NZ 3.05Å; L445-K455 HydrophobicContact CD1-CG 3.88Å; L445-K455 HydrophobicContact CG-CG 4.29Å
456S90.9Very high88.2Confident19 Ų1955.1 Ų55.113%0.13331%0.305CS..PPolyproline II helixtrans-65.2160.8169.766.70000111.8H252 S460 P463 L464H252-S456 CarbonylContact O-C 3.57Å; H252-S456 WeakPolarHBondContact O-CA 3.4Å; H252-S456 VanDerWaalsContact O-CB 3.23Å; H252-S456 WeakPolarHBondContact O-CB 3.4Å; S456-S460 WeakPolarHBondContact CB-OG 3.34Å; S456-S460 PolarHBondContact OG-OG 3.18Å; S456-P463 WeakPolarHBondContact OG-CA 3.31Å; S456-L464 WeakPolarHBondContact CB-O 3.44Å; S456-L464 PolarHBondContact N-O 2.96Å; S456-L464 PolarHBondContact OG-N 3.37Å; S456-L464 PolarHBondContact OG-O 3.5Å
457S89.2Confident88.7Confident28 Ų2851.4 Ų51.420%0.19629%0.288CS..PPolyproline II helixtrans-58.5149.4172.1-1730000111.1H252 D459 S460H252-S457 PolarHBondContact O-N 2.75Å; S457-D459 PolarHBondContact O-N 2.75Å; S457-D459 PolarHBondContact OG-N 3.2Å; S457-S460 VanDerWaalsContact O-CB 3.24Å; S457-S460 WeakPolarHBondContact O-CB 3.18Å; S457-S460 PolarHBondContact O-N 2.87Å; S457-S460 PolarHBondContact O-OG 3.06Å
458I84.9Confident89.3Confident169 Ų16946.6 Ų46.687%0.86726%0.257SS*.THydrogen-bonded Turntrans-59.8-29.5173-67168.1000110.9S460I458-S460 PolarHBondContact O-N 3.43Å
459D83.7Confident89.9Confident148 Ų14843.9 Ų43.979%0.79124%0.24SC*.THydrogen-bonded Turntrans-79.2-3.2178.2-54.1-48.5000113.5S457S457-D459 PolarHBondContact O-N 2.75Å; S457-D459 PolarHBondContact OG-N 3.2Å
460S82.3Confident90.3Very high16 Ų1642.2 Ų42.211%0.11223%0.231CC..  trans-68.2136.1178.865.40000110.6S456 S457 I458 H462S456-S460 WeakPolarHBondContact CB-OG 3.34Å; S456-S460 PolarHBondContact OG-OG 3.18Å; S457-S460 VanDerWaalsContact O-CB 3.24Å; S457-S460 WeakPolarHBondContact O-CB 3.18Å; S457-S460 PolarHBondContact O-N 2.87Å; S457-S460 PolarHBondContact O-OG 3.06Å; I458-S460 PolarHBondContact O-N 3.43Å; S460-H462 PolarHBondContact O-N 3.06Å; S460-H462 PolarHBondContact OG-O 3.04Å
461P79.2Confident90.5Very high98 Ų9843.5 Ų43.564%0.63624%0.238SC*.SBendtrans-66-21-179.426.6-35.1000112.8
462H82.1Confident90.4Very high110 Ų11044.1 Ų44.151%0.50924%0.243SC..SBendtrans-134.3116.3177.4-64.4-62.5000108.4S460 L464S460-H462 PolarHBondContact O-N 3.06Å; S460-H462 PolarHBondContact OG-O 3.04Å; H462-L464 PolarHBondContact O-N 3.01Å
463P87.4Confident90.4Very high68 Ų6844 Ų4444%0.44224%0.242SC..  trans-67.2118.6177.527.3-32.4000109.3P289 S456P289-P463 WeakPolarHBondContact CD-O 3.25Å; S456-P463 WeakPolarHBondContact OG-CA 3.31Å
464L91.3Very high90.2Very high33 Ų3343.7 Ų43.717%0.17324%0.237CC..  trans-125.7157.3-179.2-66.3177.4000110.2V286 D288 S456 H462 Y466V286-L464 HydrophobicContact CG1-CB 4.46Å; V286-L464 HydrophobicContact CG1-CD1 4.1Å; V286-L464 HydrophobicContact CG1-CD2 4.22Å; D288-L464 HydrophobicContact CB-CD2 3.77Å; S456-L464 WeakPolarHBondContact CB-O 3.44Å; S456-L464 PolarHBondContact N-O 2.96Å; S456-L464 PolarHBondContact OG-N 3.37Å; S456-L464 PolarHBondContact OG-O 3.5Å; H462-L464 PolarHBondContact O-N 3.01Å; L464-Y466 HydrophobicContact CB-CE1 4.29Å; L464-Y466 HydrophobicContact CB-CE2 4.26Å; L464-Y466 HydrophobicContact CD1-CE1 4.28Å
465I92.2Very high89.9Confident6 Ų644.8 Ų44.83%0.03125%0.245CC..EExtended strand (participates in β ladder)trans-120122.4172.3-57.6176.2000107.8L163 H287 F441 L445 F467L163-I465 HydrophobicContact CD1-CD1 3.87Å; L163-I465 HydrophobicContact CD1-CG2 4.45Å; H287-I465 HydrophobicContact CB-CB 4.17Å; H287-I465 PolarHBondContact N-O 3.19Å; H287-I465 PolarHBondContact O-N 3.14Å; F441-I465 HydrophobicContact CE1-CD1 3.7Å; F441-I465 HydrophobicContact CE2-CD1 3.94Å; F441-I465 HydrophobicContact CZ-CD1 3.31Å; L445-I465 HydrophobicContact CD1-CG2 4.3Å; L445-I465 HydrophobicContact CD2-CD1 4.16Å; L445-I465 HydrophobicContact CD2-CG2 3.92Å; I465-F467 HydrophobicContact CG2-CE2 3.85Å; I465-F467 HydrophobicContact CG2-CZ 3.96Å
466Y93.8Very high89.4Confident4 Ų446.2 Ų46.22%0.01625%0.248CC..EExtended strand (participates in β ladder)trans-101.6132.9179.9-52.7-78.2000109.8M251 H252 I253 G285 V286 G453 I454 L464M251-Y466 HydrophobicContact CB-CE1 4.34Å; M251-Y466 HydrophobicContact CE-CD1 3.86Å; M251-Y466 HydrophobicContact CE-CD2 4.32Å; M251-Y466 HydrophobicContact CE-CG 3.7Å; M251-Y466 HydrophobicContact CG-CD1 4.19Å; M251-Y466 HydrophobicContact CG-CE1 4.07Å; H252-Y466 PolarHBondContact N-OH 3.46Å; I253-Y466 HydrophobicContact CD1-CD2 4.31Å; I253-Y466 HydrophobicContact CG1-CD2 4.01Å; I253-Y466 HydrophobicContact CG1-CE2 4.07Å; G285-Y466 CarbonylContact O-C 3.57Å; G285-Y466 WeakPolarHBondContact O-CA 3.35Å; V286-Y466 HydrophobicContact CG1-CD1 4.41Å; V286-Y466 HydrophobicContact CG1-CE1 4.31Å; V286-Y466 HydrophobicContact CG2-CD1 4.14Å; V286-Y466 HydrophobicContact CG2-CE1 4.42Å; G453-Y466 CarbonylContact C-O 3.5Å; G453-Y466 WeakPolarHBondContact CA-O 3.39Å; I454-Y466 PolarHBondContact N-O 2.88Å; I454-Y466 PolarHBondContact O-N 2.87Å; L464-Y466 HydrophobicContact CB-CE1 4.29Å; L464-Y466 HydrophobicContact CB-CE2 4.26Å; L464-Y466 HydrophobicContact CD1-CE1 4.28Å
467F95.2Very high88.8Confident0 Ų046.7 Ų46.70%025%0.247CC..EExtended strand (participates in β ladder)trans-107.9115.6169.4-67.7-84.4000108.4V158 F159 S160 L163 I165 I284 G285 H287 E450 Y452 I465V158-F467 HydrophobicContact CG1-CB 4.46Å; V158-F467 WeakPolarHBondContact O-CD1 3.28Å; F159-F467 HydrophobicContact CD1-CB 3.81Å; F159-F467 HydrophobicContact CD1-CG 4.26Å; F159-F467 HydrophobicContact CE1-CB 4.24Å; S160-F467 VanDerWaalsContact CB-CZ 3.49Å; L163-F467 HydrophobicContact CB-CE2 4.43Å; L163-F467 HydrophobicContact CB-CZ 4.37Å; L163-F467 HydrophobicContact CD1-CE2 4.43Å; L163-F467 HydrophobicContact CD1-CZ 3.92Å; I165-F467 HydrophobicContact CD1-CD2 3.55Å; I165-F467 HydrophobicContact CD1-CE2 3.9Å; I165-F467 HydrophobicContact CD1-CG 4.45Å; I284-F467 CarbonylContact C-O 3.6Å; I284-F467 VanDerWaalsContact CA-O 3.29Å; I284-F467 WeakPolarHBondContact CA-O 3.35Å; G285-F467 PolarHBondContact N-O 3Å; G285-F467 PolarHBondContact O-N 3.33Å; H287-F467 HydrophobicContact CB-CE2 4.2Å; E450-F467 HydrophobicContact CB-CE1 4.17Å; E450-F467 HydrophobicContact CG-CE1 4.05Å; E450-F467 HydrophobicContact CG-CZ 4.38Å; Y452-F467 WeakPolarHBondContact O-CA 3.24Å; I465-F467 HydrophobicContact CG2-CE2 3.85Å; I465-F467 HydrophobicContact CG2-CZ 3.96Å
468V95.1Very high87.8Confident2 Ų246.5 Ų46.51%0.01225%0.249CC..EExtended strand (participates in β ladder)trans-124.2123.3-172.3-176.50000109.6L133 M251 M261 L282 L283 I284 Y452L133-V468 WeakPolarHBondContact CD2-O 3.41Å; M251-V468 HydrophobicContact CE-CG2 3.57Å; M261-V468 HydrophobicContact SD-CB 4.41Å; M261-V468 HydrophobicContact SD-CG1 4.27Å; M261-V468 HydrophobicContact SD-CG2 4.29Å; L282-V468 HydrophobicContact CD1-CG1 3.76Å; L282-V468 HydrophobicContact CD2-CG1 3.85Å; L282-V468 HydrophobicContact CG-CG1 3.91Å; L283-V468 WeakPolarHBondContact O-CA 3.39Å; I284-V468 HydrophobicContact CG2-CG2 4.49Å; Y452-V468 WeakPolarHBondContact CD1-O 3.29Å; Y452-V468 PolarHBondContact O-N 3.38Å
469A96.6Very high86.5Confident0 Ų045.1 Ų45.10%024%0.241CC..EExtended strand (participates in β ladder)trans-150.8150.3176.700000112.1L133 V158 L283 Y452L133-A469 CarbonylContact O-C 3.5Å; L133-A469 WeakPolarHBondContact O-CA 3.2Å; V158-A469 HydrophobicContact CB-CB 4.17Å; V158-A469 HydrophobicContact CG1-CB 3.53Å; V158-A469 HydrophobicContact CG2-CB 3.55Å; L283-A469 PolarHBondContact N-O 2.96Å; L283-A469 PolarHBondContact O-N 3.02Å; Y452-A469 HydrophobicContact CD1-CB 3.55Å; Y452-A469 HydrophobicContact CE1-CB 3.69Å; Y452-A469 HydrophobicContact CG-CB 4.01Å
470I95.9Very high85.5Confident0 Ų048 Ų480%024%0.24CC..EExtended strand (participates in β ladder)trans-79.3136.8168.8-55.7176.8000108.6L133 L134 P135 L265 D268 L272 Y280 S281 L282 I473L133-I470 HydrophobicContact CB-CG1 4.31Å; L133-I470 PolarHBondContact O-N 3.21Å; L134-I470 HydrophobicContact CD2-CB 4.34Å; L134-I470 HydrophobicContact CD2-CD1 3.98Å; L134-I470 HydrophobicContact CD2-CG2 4.43Å; P135-I470 VanDerWaalsContact CD-O 3.24Å; P135-I470 WeakPolarHBondContact CD-O 3.29Å; P135-I470 VanDerWaalsContact CG-O 3.31Å; P135-I470 WeakPolarHBondContact CG-O 3.44Å; L265-I470 HydrophobicContact CD1-CD1 3.84Å; L265-I470 HydrophobicContact CD1-CG1 4.16Å; D268-I470 HydrophobicContact CB-CD1 3.78Å; L272-I470 HydrophobicContact CD1-CD1 4.03Å; L272-I470 HydrophobicContact CD1-CG2 4.1Å; Y280-I470 HydrophobicContact CD2-CG2 4.06Å; Y280-I470 HydrophobicContact CG-CG2 4.24Å; S281-I470 CarbonylContact O-C 3.56Å; S281-I470 VanDerWaalsContact O-CA 3.29Å; S281-I470 WeakPolarHBondContact O-CA 3.36Å; L282-I470 HydrophobicContact CD1-CG1 4Å; I470-I473 HydrophobicContact CG2-CG2 3.57Å
471I93.9Very high84.5Confident33 Ų3349 Ų4917%0.16924%0.243CC..EExtended strand (participates in β ladder)trans-129.4163.8179.161.2163.4000111.9V158 Y280 S281 L283V158-I471 HydrophobicContact CG2-CG2 4.43Å; Y280-I471 VanDerWaalsContact CA-O 3.28Å; Y280-I471 WeakPolarHBondContact CA-O 3.41Å; Y280-I471 WeakPolarHBondContact CB-O 3.49Å; S281-I471 PolarHBondContact N-O 3.37Å; S281-I471 PolarHBondContact O-N 3.47Å; L283-I471 HydrophobicContact CB-CD1 3.96Å; L283-I471 HydrophobicContact CB-CG1 4.11Å; L283-I471 HydrophobicContact CB-CG2 3.82Å; L283-I471 HydrophobicContact CD1-CD1 4.41Å; L283-I471 HydrophobicContact CD2-CD1 4.44Å; L283-I471 HydrophobicContact CD2-CG2 4Å
472D90Very high83.6Confident55 Ų5550.1 Ų50.129%0.29423%0.234SC..  trans57.346.4176.3-73.4-14.6000115.1K104 L474K104-D472 IonicContact NZ-OD1 3.85Å; K104-D472 PolarHBondContact NZ-OD1 3.26Å; D472-L474 VanDerWaalsContact C-N 3.32Å; D472-L474 PolarHBondContact O-N 3.22Å
473I93.8Very high82.6Confident2 Ų249.3 Ų49.31%0.0124%0.237CC..THydrogen-bonded Turntrans-81.93.6-175.767.5165.2000115.4M117 L134 P135 F137 L272 L277 I470 T475M117-I473 HydrophobicContact CE-CD1 3.76Å; M117-I473 HydrophobicContact CE-CG1 4.25Å; L134-I473 HydrophobicContact CD2-CD1 4.29Å; L134-I473 HydrophobicContact CD2-CG2 4.3Å; P135-I473 HydrophobicContact CG-CD1 4.36Å; P135-I473 HydrophobicContact CG-CG1 4.29Å; F137-I473 HydrophobicContact CE2-CD1 3.86Å; F137-I473 HydrophobicContact CE2-CG1 4.41Å; F137-I473 HydrophobicContact CZ-CD1 3.83Å; F137-I473 HydrophobicContact CZ-CG1 3.91Å; L272-I473 HydrophobicContact CD1-CG2 4.42Å; L272-I473 HydrophobicContact CD2-CB 3.84Å; L272-I473 HydrophobicContact CD2-CD1 4.33Å; L272-I473 HydrophobicContact CD2-CG2 3.85Å; L277-I473 WeakPolarHBondContact CD1-O 3.33Å; L277-I473 WeakPolarHBondContact CD2-O 3.21Å; I470-I473 HydrophobicContact CG2-CG2 3.57Å; I473-T475 VanDerWaalsContact C-N 3.34Å; I473-T475 PolarHBondContact O-N 3.39Å
474L91.3Very high81.3Confident10 Ų1048 Ų485%0.05223%0.232CC..THydrogen-bonded Turntrans-89.610.3-174.8-61.1179.5000114.3I106 E110 Q113 M114 M117 L153 D472 R476I106-L474 HydrophobicContact CD1-CD1 4.45Å; I106-L474 HydrophobicContact CG2-CD1 4.49Å; E110-L474 HydrophobicContact CB-CB 4.28Å; E110-L474 HydrophobicContact CB-CD1 3.98Å; E110-L474 HydrophobicContact CG-CB 4.11Å; E110-L474 HydrophobicContact CG-CD1 4.45Å; Q113-L474 WeakPolarHBondContact CG-O 3.34Å; M114-L474 HydrophobicContact CB-CD2 4.21Å; M114-L474 HydrophobicContact SD-CD2 3.96Å; M117-L474 HydrophobicContact CE-CD2 3.78Å; M117-L474 HydrophobicContact SD-CD2 3.86Å; L153-L474 HydrophobicContact CD2-CD1 3.74Å; D472-L474 VanDerWaalsContact C-N 3.32Å; D472-L474 PolarHBondContact O-N 3.22Å; L474-R476 PolarHBondContact O-N 2.92Å
475T86Confident79.5Confident49 Ų4948.9 Ų48.930%0.30124%0.235SC..  trans-95.2101.5179.5-55.90000111.3I278 D279 I473I278-T475 PolarHBondContact N-O 3.43Å; I278-T475 WeakPolarHBondContact O-CB 3.28Å; D279-T475 HydrophobicContact CB-CG2 4.33Å; I473-T475 VanDerWaalsContact C-N 3.34Å; I473-T475 PolarHBondContact O-N 3.39Å
476R83Confident78Confident121 Ų12152.9 Ų52.946%0.45726%0.26SS..BIsolated β-bridgetrans-75.5145.7176.3-172.4167.8-178.5-130.35.5113.2Q113 L277 L474 G478Q113-R476 HydrophobicContact CG-CB 4.33Å; L277-R476 HydrophobicContact CD2-CB 4.44Å; L474-R476 PolarHBondContact O-N 2.92Å; R476-G478 PolarHBondContact O-N 3.06Å
477Y78.2Confident76.3Confident29 Ų2959.1 Ų59.111%0.11429%0.285CS..  trans-71.676.2169.7-167.6-114000111.4N276 I278 K481 R482 Q485 P501N276-Y477 WeakPolarHBondContact O-CB 3.4Å; N276-Y477 PolarHBondContact O-N 3.38Å; I278-Y477 HydrophobicContact CD1-CD2 3.6Å; I278-Y477 HydrophobicContact CD1-CE2 4.31Å; I278-Y477 HydrophobicContact CG1-CD2 4.31Å; Y477-K481 HydrophobicContact CD2-CB 3.85Å; Y477-K481 HydrophobicContact CD2-CD 4.29Å; Y477-K481 HydrophobicContact CE2-CB 3.76Å; Y477-R482 HydrophobicContact CD1-CG 4.34Å; Y477-R482 HydrophobicContact CE1-CG 3.67Å; Y477-Q485 VanDerWaalsContact OH-CD 3.28Å; Y477-Q485 PolarHBondContact OH-OE1 3.13Å; Y477-P501 HydrophobicContact CD1-CG 4.3Å; Y477-P501 HydrophobicContact CG-CG 4.13Å
478G69Low74.5Confident24 Ų2463.7 Ų63.725%0.24730%0.304CS..  trans-90.3-179.2-178.600000114.9R476 R480 K481 R482R476-G478 PolarHBondContact O-N 3.06Å; G478-R480 PolarHBondContact O-N 2.89Å; G478-K481 PolarHBondContact O-N 2.83Å; G478-R482 PolarHBondContact O-N 3.37Å
479M57.3Low72.7Confident139 Ų13966.4 Ų66.469%0.68532%0.321SS*.Hα-helixtrans-52.7-39.6176.4-67.9-177.9-170.400112.6K481 R482 T483M479-K481 PolarHBondContact O-N 2.94Å; M479-R482 PolarHBondContact O-N 2.87Å; M479-R482 VanDerWaalsContact O-N 3.12Å; M479-T483 PolarHBondContact O-N 3.04Å; M479-T483 PolarHBondContact O-OG1 3.47Å
480R61.4Low71Confident208 Ų20872 Ų7279%0.78536%0.355SS*.Hα-helixtrans-53.8-42.5177.5-66.2-177.1-175.3169.33.1111.9G478 A484G478-R480 PolarHBondContact O-N 2.89Å; R480-A484 WeakPolarHBondContact O-CB 3.44Å; R480-A484 PolarHBondContact O-N 2.82Å
481K62.3Low69.2Low38 Ų3878 Ų7817%0.16538%0.381CS..Hα-helixtrans-79.7-34.2178.5-67.9-166.1177.1-176.40112.9I278 D279 Y477 G478 M479 T483 A484 Q485 S498I278-K481 HydrophobicContact CD1-CD 3.41Å; I278-K481 VanDerWaalsContact CD1-CD 3.41Å; I278-K481 HydrophobicContact CG1-CD 4.17Å; I278-K481 VanDerWaalsContact CG1-NZ 3.3Å; D279-K481 IonicContact OD1-NZ 2.9Å; D279-K481 PolarHBondContact OD1-NZ 3.24Å; D279-K481 WeakPolarHBondContact OD2-CE 3.41Å; D279-K481 IonicContact OD2-NZ 3.67Å; D279-K481 PolarHBondContact OD2-NZ 3.39Å; Y477-K481 HydrophobicContact CD2-CB 3.85Å; Y477-K481 HydrophobicContact CD2-CD 4.29Å; Y477-K481 HydrophobicContact CE2-CB 3.76Å; G478-K481 PolarHBondContact O-N 2.83Å; M479-K481 PolarHBondContact O-N 2.94Å; K481-T483 VanDerWaalsContact C-N 3.34Å; K481-T483 PolarHBondContact O-N 3.16Å; K481-A484 CarbonylContact O-C 3.6Å; K481-A484 WeakPolarHBondContact O-CB 3.18Å; K481-A484 PolarHBondContact O-N 3.15Å; K481-Q485 PolarHBondContact O-N 2.99Å; K481-S498 PolarHBondContact O-OG 2.5Å
482R60.2Low67.2Low122 Ų12283 Ų8346%0.4640%0.403SS..Hα-helixtrans-60.1-43.1170-68.9-173-77.6179.4-5.3111.8Y477 G478 M479 Q485 T486Y477-R482 HydrophobicContact CD1-CG 4.34Å; Y477-R482 HydrophobicContact CE1-CG 3.67Å; G478-R482 PolarHBondContact O-N 3.37Å; M479-R482 PolarHBondContact O-N 2.87Å; M479-R482 VanDerWaalsContact O-N 3.12Å; R482-Q485 WeakPolarHBondContact O-CA 3.47Å; R482-Q485 WeakPolarHBondContact O-CB 3.48Å; R482-Q485 PolarHBondContact O-N 2.8Å; R482-Q485 VanDerWaalsContact O-N 3.15Å; R482-T486 PolarHBondContact O-N 3.43Å; R482-T486 PolarHBondContact O-OG1 3.44Å; R482-T486 VanDerWaalsContact O-OG1 3.1Å
483T61.2Low65.2Low93 Ų9382.2 Ų82.257%0.57141%0.408SS*.Hα-helixtrans-66.3-40.5175.2-52.10000111.3M479 K481 Q485 T486 Y487M479-T483 PolarHBondContact O-N 3.04Å; M479-T483 PolarHBondContact O-OG1 3.47Å; K481-T483 VanDerWaalsContact C-N 3.34Å; K481-T483 PolarHBondContact O-N 3.16Å; T483-Q485 VanDerWaalsContact C-N 3.27Å; T483-Q485 PolarHBondContact O-N 2.88Å; T483-T486 PolarHBondContact O-N 2.97Å; T483-Y487 WeakPolarHBondContact O-CB 3.14Å; T483-Y487 PolarHBondContact O-N 3.43Å
484A58.6Low63.3Low40 Ų4086 Ų8633%0.33144%0.439SS..Hα-helixtrans-62.1-34.8171.800000112.1R480 K481 K488R480-A484 WeakPolarHBondContact O-CB 3.44Å; R480-A484 PolarHBondContact O-N 2.82Å; K481-A484 CarbonylContact O-C 3.6Å; K481-A484 WeakPolarHBondContact O-CB 3.18Å; K481-A484 PolarHBondContact O-N 3.15Å; A484-K488 WeakPolarHBondContact O-CB 3.41Å; A484-K488 VanDerWaalsContact O-CG 3.31Å; A484-K488 WeakPolarHBondContact O-CG 3.29Å; A484-K488 PolarHBondContact O-N 2.89Å
485Q55.5Low61.1Low52 Ų5291.7 Ų91.724%0.24347%0.47CS..Hα-helixtrans-60.7-56172.1-157.9-178.91100110Y477 K481 R482 T483 Y487 K488 T489 S498Y477-Q485 VanDerWaalsContact OH-CD 3.28Å; Y477-Q485 PolarHBondContact OH-OE1 3.13Å; K481-Q485 PolarHBondContact O-N 2.99Å; R482-Q485 WeakPolarHBondContact O-CA 3.47Å; R482-Q485 WeakPolarHBondContact O-CB 3.48Å; R482-Q485 PolarHBondContact O-N 2.8Å; R482-Q485 VanDerWaalsContact O-N 3.15Å; T483-Q485 VanDerWaalsContact C-N 3.27Å; T483-Q485 PolarHBondContact O-N 2.88Å; Q485-Y487 VanDerWaalsContact C-N 3.31Å; Q485-Y487 PolarHBondContact O-N 3.41Å; Q485-K488 PolarHBondContact O-N 3Å; Q485-T489 WeakPolarHBondContact O-CB 3.3Å; Q485-T489 PolarHBondContact O-N 3.09Å; Q485-T489 PolarHBondContact O-OG1 3.26Å; Q485-S498 WeakPolarHBondContact CA-OG 3.49Å; Q485-S498 WeakPolarHBondContact CB-OG 3.27Å; Q485-S498 WeakPolarHBondContact CG-OG 3.41Å; Q485-S498 PolarHBondContact N-OG 3.45Å; Q485-S498 PolarHBondContact NE2-O 3.4Å
486T59.9Low59.2Low89 Ų8990.9 Ų90.955%0.54647%0.472SS..Hα-helixtrans-57.8-45.5-178.6-51.80000111R482 T483 K488 T489 V490R482-T486 PolarHBondContact O-N 3.43Å; R482-T486 PolarHBondContact O-OG1 3.44Å; R482-T486 VanDerWaalsContact O-OG1 3.1Å; T483-T486 PolarHBondContact O-N 2.97Å; T486-K488 PolarHBondContact O-N 3.43Å; T486-T489 PolarHBondContact O-N 3.48Å; T486-V490 HydrophobicContact CG2-CG2 4.45Å; T486-V490 WeakPolarHBondContact O-CB 3.08Å; T486-V490 WeakPolarHBondContact O-CG2 3.28Å; T486-V490 PolarHBondContact O-N 3.06Å
487Y58Low57.3Low136 Ų13685.7 Ų85.753%0.53346%0.456SS..Hα-helixtrans-62.7-43.6178.4-175.5-98.5000112.9T483 Q485 V490 K491T483-Y487 WeakPolarHBondContact O-CB 3.14Å; T483-Y487 PolarHBondContact O-N 3.43Å; Q485-Y487 VanDerWaalsContact C-N 3.31Å; Q485-Y487 PolarHBondContact O-N 3.41Å; Y487-V490 PolarHBondContact O-N 3.1Å; Y487-K491 HydrophobicContact CD1-CD 4.29Å; Y487-K491 HydrophobicContact CE1-CD 3.6Å; Y487-K491 HydrophobicContact CE1-CG 4.41Å; Y487-K491 HydrophobicContact CE2-CD 4.35Å; Y487-K491 WeakPolarHBondContact O-CB 3.47Å; Y487-K491 PolarHBondContact O-N 3.48Å; Y487-K491 WeakPolarHBondContact OH-CE 3.31Å; Y487-K491 PolarHBondContact OH-NZ 3.06Å
488K56.8Low56.1Low95 Ų9585.4 Ų85.441%0.41346%0.458SS..Hα-helixtrans-69.9-41.3178.9-75.7-177.2-179.5-176.10112.1A484 Q485 T486 V490 K491 H492 G496A484-K488 WeakPolarHBondContact O-CB 3.41Å; A484-K488 VanDerWaalsContact O-CG 3.31Å; A484-K488 WeakPolarHBondContact O-CG 3.29Å; A484-K488 PolarHBondContact O-N 2.89Å; Q485-K488 PolarHBondContact O-N 3Å; T486-K488 PolarHBondContact O-N 3.43Å; K488-V490 VanDerWaalsContact C-N 3.3Å; K488-V490 PolarHBondContact O-N 3.46Å; K488-K491 PolarHBondContact O-N 3.24Å; K488-H492 PolarHBondContact O-N 3.22Å; K488-G496 WeakPolarHBondContact CD-O 3.45Å
489T57.7Low55.7Low59 Ų5985.5 Ų85.536%0.36245%0.454SS..Hα-helixtrans-61.2-39.8174.9-58.10000111.2Q485 T486 G493Q485-T489 WeakPolarHBondContact O-CB 3.3Å; Q485-T489 PolarHBondContact O-N 3.09Å; Q485-T489 PolarHBondContact O-OG1 3.26Å; T486-T489 PolarHBondContact O-N 3.48Å; T489-G493 WeakPolarHBondContact O-CA 3.16Å; T489-G493 PolarHBondContact O-N 3.2Å
490V60.6Low56.6Low119 Ų11984 Ų8472%0.72144%0.444SS*.Hα-helixtrans-67.6-36.6176.21700000111.8T486 Y487 K488T486-V490 HydrophobicContact CG2-CG2 4.45Å; T486-V490 WeakPolarHBondContact O-CB 3.08Å; T486-V490 WeakPolarHBondContact O-CG2 3.28Å; T486-V490 PolarHBondContact O-N 3.06Å; Y487-V490 PolarHBondContact O-N 3.1Å; K488-V490 VanDerWaalsContact C-N 3.3Å; K488-V490 PolarHBondContact O-N 3.46Å
491K57.6Low57.4Low125 Ų12574.3 Ų74.354%0.54341%0.407SS..Hα-helixtrans-85-34.1-178-79.7-162.7165.8-170.90115.6Y487 K488Y487-K491 HydrophobicContact CD1-CD 4.29Å; Y487-K491 HydrophobicContact CE1-CD 3.6Å; Y487-K491 HydrophobicContact CE1-CG 4.41Å; Y487-K491 HydrophobicContact CE2-CD 4.35Å; Y487-K491 WeakPolarHBondContact O-CB 3.47Å; Y487-K491 PolarHBondContact O-N 3.48Å; Y487-K491 WeakPolarHBondContact OH-CE 3.31Å; Y487-K491 PolarHBondContact OH-NZ 3.06Å; K488-K491 PolarHBondContact O-N 3.24Å
492H53.4Low58.2Low138 Ų13876.2 Ų76.264%0.63942%0.417SS*.Hα-helixtrans-126.68.9-167.1-59.991.5000114.1K488K488-H492 PolarHBondContact O-N 3.22Å
493G47.9Very low59.3Low38 Ų3875.1 Ų75.139%0.39242%0.416SS..  trans70.3173.3-168.700000111.5T489 D495T489-G493 WeakPolarHBondContact O-CA 3.16Å; T489-G493 PolarHBondContact O-N 3.2Å; G493-D495 PolarHBondContact O-N 3.32Å
494A52.5Low60.5Low81 Ų8172 Ų7267%0.66939%0.394SS*.G310 helixtrans-59.2-13.7-171.300000115G496A494-G496 PolarHBondContact O-N 3.45Å
495D46.5Very low61.8Low130 Ų13070 Ų7070%0.69538%0.378SS*.G310 helixtrans-89.2-1.5-164.3-63.5-25.9000114.9G493G493-D495 PolarHBondContact O-N 3.32Å
496G44.8Very low63.3Low33 Ų3373.2 Ų73.234%0.3439%0.388SS..G310 helixtrans-124.73.6-177.800000116.6K488 A494K488-G496 WeakPolarHBondContact CD-O 3.45Å; A494-G496 PolarHBondContact O-N 3.45Å
497G43.8Very low64.5Low12 Ų1272.4 Ų72.412%0.12438%0.375CS..SBendtrans-79.7156.2-173.700000114.2V499G497-V499 PolarHBondContact O-N 2.91Å; G497-V499 VanDerWaalsContact O-N 3.13Å
498S52.3Low66Low23 Ų2366 Ų6616%0.16135%0.35CS..PPolyproline II helixtrans-50122.8172.349.10000110.3K481 Q485K481-S498 PolarHBondContact O-OG 2.5Å; Q485-S498 WeakPolarHBondContact CA-OG 3.49Å; Q485-S498 WeakPolarHBondContact CB-OG 3.27Å; Q485-S498 WeakPolarHBondContact CG-OG 3.41Å; Q485-S498 PolarHBondContact N-OG 3.45Å; Q485-S498 PolarHBondContact NE2-O 3.4Å
499V61.9Low67.5Low26 Ų2663 Ų6316%0.15834%0.338CS..PPolyproline II helixtrans-72.7129.9-170.5-176.90000107.9G497 F503 Y504G497-V499 PolarHBondContact O-N 2.91Å; G497-V499 VanDerWaalsContact O-N 3.13Å; V499-F503 VanDerWaalsContact CG1-C 3.44Å; V499-F503 HydrophobicContact CG1-CB 3.14Å; V499-F503 HydrophobicContact CG1-CG 4.35Å; V499-Y504 VanDerWaalsContact CG1-N 3.3Å
500K74.8Confident68.9Low108 Ų10864.6 Ų64.647%0.4734%0.341SS..PPolyproline II helixtrans-56.5150.5174.1-54.9-177174.5179.80109.2E502 F503 Y504K500-E502 WeakPolarHBondContact CB-OE2 3.2Å; K500-E502 PolarHBondContact O-N 2.87Å; K500-F503 HydrophobicContact CB-CD2 4.06Å; K500-F503 HydrophobicContact CD-CE2 4.38Å; K500-F503 HydrophobicContact CG-CD2 4.44Å; K500-F503 PolarHBondContact O-N 3.26Å; K500-Y504 PolarHBondContact O-N 2.88Å
501P79.7Confident70.1Confident3 Ų359 Ų592%0.01931%0.307CS..Hα-helixtrans-48.4-38.8-176.3-26.933.6000114.1N276 I278 Y477 F503 Y504 G505N276-P501 HydrophobicContact CB-CG 4.46Å; I278-P501 HydrophobicContact CG2-CB 3.81Å; I278-P501 HydrophobicContact CG2-CG 3.78Å; Y477-P501 HydrophobicContact CD1-CG 4.3Å; Y477-P501 HydrophobicContact CG-CG 4.13Å; P501-F503 VanDerWaalsContact C-N 3.31Å; P501-F503 PolarHBondContact O-N 3.04Å; P501-Y504 PolarHBondContact O-N 3.16Å; P501-G505 PolarHBondContact O-N 2.92Å; P501-G505 VanDerWaalsContact O-N 3.09Å
502E79.4Confident71.5Confident78 Ų7853.3 Ų53.336%0.36428%0.283SS..Hα-helixtrans-66.9-30.2-177.8-50.177.7-165.200113.1Q273 K500 R506Q273-E502 PolarHBondContact NE2-O 3.42Å; K500-E502 WeakPolarHBondContact CB-OE2 3.2Å; K500-E502 PolarHBondContact O-N 2.87Å; E502-R506 WeakPolarHBondContact O-CG 3.1Å; E502-R506 PolarHBondContact O-NE 3.01Å
503F83.1Confident73.1Confident99 Ų9952.1 Ų52.143%0.43428%0.278SS..Hα-helixtrans-86.9-29.1175.7-68.8-79.7000111.3V499 K500 P501 R507V499-F503 VanDerWaalsContact CG1-C 3.44Å; V499-F503 HydrophobicContact CG1-CB 3.14Å; V499-F503 HydrophobicContact CG1-CG 4.35Å; K500-F503 HydrophobicContact CB-CD2 4.06Å; K500-F503 HydrophobicContact CD-CE2 4.38Å; K500-F503 HydrophobicContact CG-CD2 4.44Å; K500-F503 PolarHBondContact O-N 3.26Å; P501-F503 VanDerWaalsContact C-N 3.31Å; P501-F503 PolarHBondContact O-N 3.04Å; F503-R507 VanDerWaalsContact O-CG 3.24Å; F503-R507 WeakPolarHBondContact O-CG 3.28Å; F503-R507 PolarHBondContact O-N 3.07Å
504Y85.3Confident74.8Confident27 Ų2755.4 Ų55.411%0.10628%0.283CS..Hα-helixtrans-65.3-50.8178.7-175.3-91.3000110.1I278 D279 Y280 V499 K500 P501 R507 L508I278-Y504 HydrophobicContact CB-CD1 4.45Å; I278-Y504 HydrophobicContact CB-CG 4.43Å; I278-Y504 HydrophobicContact CG2-CG 4.44Å; D279-Y504 WeakPolarHBondContact CA-OH 3.37Å; Y280-Y504 HydrophobicContact CD1-CD1 4.26Å; Y280-Y504 AromaticContact CD1-CE1 3.89Å; Y280-Y504 HydrophobicContact CD1-CE1 3.89Å; Y280-Y504 HydrophobicContact CD2-CD1 4.4Å; Y280-Y504 AromaticContact CD2-CE1 3.7Å; Y280-Y504 HydrophobicContact CD2-CE1 3.7Å; Y280-Y504 AromaticContact CE1-CD1 3.67Å; Y280-Y504 HydrophobicContact CE1-CD1 3.67Å; Y280-Y504 AromaticContact CE1-CE1 3.76Å; Y280-Y504 HydrophobicContact CE1-CE1 3.76Å; Y280-Y504 AromaticContact CE2-CD1 3.81Å; Y280-Y504 HydrophobicContact CE2-CD1 3.81Å; Y280-Y504 AromaticContact CE2-CE1 3.54Å; Y280-Y504 HydrophobicContact CE2-CE1 3.54Å; Y280-Y504 AromaticContact CG-CE1 3.88Å; Y280-Y504 HydrophobicContact CG-CE1 3.88Å; Y280-Y504 AromaticContact CZ-CD1 3.43Å; Y280-Y504 VanDerWaalsContact CZ-CD1 3.43Å; Y280-Y504 AromaticContact CZ-CE1 3.6Å; Y280-Y504 PolarHBondContact O-OH 2.96Å; V499-Y504 VanDerWaalsContact CG1-N 3.3Å; K500-Y504 PolarHBondContact O-N 2.88Å; P501-Y504 PolarHBondContact O-N 3.16Å; Y504-R507 PolarHBondContact O-N 3.24Å; Y504-L508 PolarHBondContact O-N 3.23Å
505G86.1Confident76.2Confident0 Ų052 Ų520%025%0.254CS..Hα-helixtrans-62.5-44.7179.100000113.6I269 Y280 P501 R507 L508 L509I269-G505 VanDerWaalsContact CG2-CA 3.46Å; Y280-G505 WeakPolarHBondContact OH-CA 3.39Å; Y280-G505 PolarHBondContact OH-N 3.18Å; P501-G505 PolarHBondContact O-N 2.92Å; P501-G505 VanDerWaalsContact O-N 3.09Å; G505-R507 VanDerWaalsContact C-N 3.32Å; G505-R507 PolarHBondContact O-N 3.35Å; G505-L508 PolarHBondContact O-N 3.28Å; G505-L508 VanDerWaalsContact O-N 3.14Å; G505-L509 PolarHBondContact O-N 2.78Å
506R86.8Confident78.1Confident119 Ų11946 Ų4645%0.44922%0.222SC..Hα-helixtrans-58.7-41.4177.2-78.3-173.9-73.1169.4-5113E502 L508 L509 E510E502-R506 WeakPolarHBondContact O-CG 3.1Å; E502-R506 PolarHBondContact O-NE 3.01Å; R506-L508 VanDerWaalsContact C-N 3.31Å; R506-L508 PolarHBondContact O-N 3.34Å; R506-L509 PolarHBondContact O-N 2.96Å; R506-E510 WeakPolarHBondContact O-CG 3.45Å; R506-E510 PolarHBondContact O-N 3.14Å
507R86.3Confident79.8Confident72 Ų7249.1 Ų49.127%0.27223%0.231SC..Hα-helixtrans-64.7-33.9177.3-74.7175-179.3-169.11.5113.2N173 S177 F503 Y504 G505 F511N173-R507 PolarHBondContact ND2-O 3.17Å; S177-R507 VanDerWaalsContact CB-NH1 3.25Å; S177-R507 PolarHBondContact OG-NH1 3.02Å; F503-R507 VanDerWaalsContact O-CG 3.24Å; F503-R507 WeakPolarHBondContact O-CG 3.28Å; F503-R507 PolarHBondContact O-N 3.07Å; Y504-R507 PolarHBondContact O-N 3.24Å; G505-R507 VanDerWaalsContact C-N 3.32Å; G505-R507 PolarHBondContact O-N 3.35Å; R507-F511 VanDerWaalsContact O-CB 3.29Å; R507-F511 WeakPolarHBondContact O-CB 3.38Å; R507-F511 PolarHBondContact O-N 2.87Å
508L87.8Confident81.6Confident2 Ų251 Ų511%0.0124%0.236CC..Hα-helixtrans-69.1-46.3174.6-176.663.9000110.2I269 Y280 L282 Y504 G505 R506 F511 V512I269-L508 HydrophobicContact CD1-CB 4.48Å; I269-L508 HydrophobicContact CD1-CD2 4.42Å; Y280-L508 HydrophobicContact CD2-CD2 3.84Å; Y280-L508 HydrophobicContact CE2-CD2 3.62Å; L282-L508 HydrophobicContact CB-CD1 4.24Å; Y504-L508 PolarHBondContact O-N 3.23Å; G505-L508 PolarHBondContact O-N 3.28Å; G505-L508 VanDerWaalsContact O-N 3.14Å; R506-L508 VanDerWaalsContact C-N 3.31Å; R506-L508 PolarHBondContact O-N 3.34Å; L508-F511 PolarHBondContact O-N 3.02Å; L508-V512 HydrophobicContact CD1-CG2 4.31Å; L508-V512 HydrophobicContact CG-CG2 4.43Å; L508-V512 VanDerWaalsContact O-CG2 3.25Å; L508-V512 WeakPolarHBondContact O-CG2 3.48Å; L508-V512 PolarHBondContact O-N 2.58Å
509L89.3Confident83.1Confident32 Ų3252.5 Ų52.517%0.16824%0.24CC..Hα-helixtrans-59.1-51.3179.2-175.966.6000112.2L262 L265 E266 I269 G505 R506 F511 V512 E513L262-L509 HydrophobicContact CD2-CD1 4.36Å; L265-L509 HydrophobicContact CB-CD1 4.5Å; L265-L509 HydrophobicContact CD2-CD1 3.99Å; L265-L509 HydrophobicContact CG-CD1 4.1Å; E266-L509 HydrophobicContact CG-CD1 3.77Å; E266-L509 HydrophobicContact CG-CD2 3.57Å; E266-L509 HydrophobicContact CG-CG 4.32Å; I269-L509 HydrophobicContact CD1-CB 3.94Å; I269-L509 HydrophobicContact CD1-CD1 4.46Å; G505-L509 PolarHBondContact O-N 2.78Å; R506-L509 PolarHBondContact O-N 2.96Å; L509-F511 PolarHBondContact O-N 3.13Å; L509-V512 PolarHBondContact O-N 3.22Å; L509-E513 PolarHBondContact O-N 3.24Å
510E87.1Confident84.3Confident91 Ų9153.9 Ų53.943%0.42525%0.245SC..Hα-helixtrans-58.9-35.9178.2-73172.1-169.400112.2R506 Q514R506-E510 WeakPolarHBondContact O-CG 3.45Å; R506-E510 PolarHBondContact O-N 3.14Å; E510-Q514 VanDerWaalsContact O-CG 3.29Å; E510-Q514 WeakPolarHBondContact O-CG 3.43Å; E510-Q514 PolarHBondContact O-N 2.68Å
511F85Confident84.8Confident2 Ų250.8 Ų50.81%0.00923%0.231CC..Hα-helixtrans-70.2-45.4177.8177.6-107.8000112L171 N173 F244 L245 R507 L508 L509 E513 Q514 C515L171-F511 HydrophobicContact CB-CE1 4.11Å; L171-F511 HydrophobicContact CD1-CE1 4Å; L171-F511 HydrophobicContact CD2-CE1 4.17Å; L171-F511 HydrophobicContact CG-CE1 4.3Å; N173-F511 HydrophobicContact CB-CB 4.34Å; N173-F511 HydrophobicContact CB-CD1 4.29Å; N173-F511 HydrophobicContact CB-CG 4.17Å; N173-F511 VanDerWaalsContact ND2-CB 3.28Å; N173-F511 WeakPolarHBondContact ND2-CB 3.19Å; F244-F511 HydrophobicContact CD1-CZ 4.42Å; L245-F511 HydrophobicContact CD1-CE2 4.39Å; L245-F511 HydrophobicContact CD2-CE2 4.07Å; L245-F511 HydrophobicContact CG-CE2 4.23Å; R507-F511 VanDerWaalsContact O-CB 3.29Å; R507-F511 WeakPolarHBondContact O-CB 3.38Å; R507-F511 PolarHBondContact O-N 2.87Å; L508-F511 PolarHBondContact O-N 3.02Å; L509-F511 PolarHBondContact O-N 3.13Å; F511-E513 VanDerWaalsContact C-N 3.31Å; F511-E513 PolarHBondContact O-N 3.32Å; F511-Q514 PolarHBondContact O-N 3.34Å; F511-C515 PolarHBondContact O-N 2.88Å; F511-C515 VanDerWaalsContact O-N 3.1Å; F511-C515 PolarHBondContact O-SG 2.77Å
512V86.8Confident85.1Confident6 Ų653.8 Ų53.84%0.03625%0.245CC..Hα-helixtrans-62.9-41.7178.5173.70000110.6L262 L265 L282 L508 L509 Q514 C515 I516L262-V512 HydrophobicContact CD2-CG1 4.36Å; L265-V512 HydrophobicContact CD2-CB 3.95Å; L265-V512 HydrophobicContact CD2-CG1 3.72Å; L265-V512 HydrophobicContact CD2-CG2 4.05Å; L282-V512 HydrophobicContact CD2-CG1 4.27Å; L282-V512 HydrophobicContact CD2-CG2 3.45Å; L282-V512 VanDerWaalsContact CD2-CG2 3.45Å; L508-V512 HydrophobicContact CD1-CG2 4.31Å; L508-V512 HydrophobicContact CG-CG2 4.43Å; L508-V512 VanDerWaalsContact O-CG2 3.25Å; L508-V512 WeakPolarHBondContact O-CG2 3.48Å; L508-V512 PolarHBondContact O-N 2.58Å; L509-V512 PolarHBondContact O-N 3.22Å; V512-Q514 VanDerWaalsContact C-N 3.29Å; V512-Q514 PolarHBondContact O-N 3.3Å; V512-C515 WeakPolarHBondContact O-CB 3.34Å; V512-C515 PolarHBondContact O-N 2.97Å; V512-I516 HydrophobicContact CG1-CD1 3.8Å; V512-I516 VanDerWaalsContact O-CD1 3.29Å; V512-I516 WeakPolarHBondContact O-CD1 3.32Å; V512-I516 WeakPolarHBondContact O-CG1 3.47Å; V512-I516 PolarHBondContact O-N 3.14Å
513E87.1Confident85.5Confident113 Ų11352.1 Ų52.153%0.52824%0.237SC..Hα-helixtrans-57.9-40.6175.6-171.3178.1-164.600112.2L262 L509 F511 C515L262-E513 HydrophobicContact CD1-CG 4.42Å; L262-E513 HydrophobicContact CD2-CB 4.47Å; L509-E513 PolarHBondContact O-N 3.24Å; F511-E513 VanDerWaalsContact C-N 3.31Å; F511-E513 PolarHBondContact O-N 3.32Å; E513-C515 VanDerWaalsContact C-N 3.3Å; E513-C515 PolarHBondContact O-N 3.21Å
514Q83.9Confident85.7Confident107 Ų10748.8 Ų48.850%0.522%0.222SC..Hα-helixtrans-71.9-22.1176.1-69.9170.327.200113.9Y176 E510 F511 V512 I516Y176-Q514 PolarHBondContact OH-NE2 3.31Å; Y176-Q514 PolarHBondContact OH-OE1 2.79Å; E510-Q514 VanDerWaalsContact O-CG 3.29Å; E510-Q514 WeakPolarHBondContact O-CG 3.43Å; E510-Q514 PolarHBondContact O-N 2.68Å; F511-Q514 PolarHBondContact O-N 3.34Å; V512-Q514 VanDerWaalsContact C-N 3.29Å; V512-Q514 PolarHBondContact O-N 3.3Å; Q514-I516 VanDerWaalsContact C-N 3.34Å
515C83.5Confident85.7Confident9 Ų950.5 Ų50.56%0.06123%0.231CC..Hα-helixtrans-83-11.3-179.7-67.10000113.2F244 K250 M251 F511 V512 E513F244-C515 HydrophobicContact CE1-CB 3.56Å; F244-C515 WeakPolarHBondContact CE1-SG 3.48Å; F244-C515 HydrophobicContact CZ-CB 3.96Å; K250-C515 WeakPolarHBondContact CA-O 3.44Å; M251-C515 PolarHBondContact N-O 2.82Å; F511-C515 PolarHBondContact O-N 2.88Å; F511-C515 VanDerWaalsContact O-N 3.1Å; F511-C515 PolarHBondContact O-SG 2.77Å; V512-C515 WeakPolarHBondContact O-CB 3.34Å; V512-C515 PolarHBondContact O-N 2.97Å; E513-C515 VanDerWaalsContact C-N 3.3Å; E513-C515 PolarHBondContact O-N 3.21Å
516I84.7Confident85.7Confident5 Ų554.7 Ų54.73%0.02625%0.251CS..BIsolated β-bridgetrans-108.2121-176.2-55.4152.7000109.3M251 I253 K258 M261 L262 V512 Q514M251-I516 HydrophobicContact CB-CG1 4.32Å; M251-I516 WeakPolarHBondContact O-CA 3.3Å; M251-I516 WeakPolarHBondContact O-CG2 3.46Å; I253-I516 HydrophobicContact CB-CG2 4.17Å; I253-I516 HydrophobicContact CD1-CG2 4.4Å; K258-I516 HydrophobicContact CB-CG2 4.38Å; K258-I516 HydrophobicContact CD-CG2 3.72Å; K258-I516 HydrophobicContact CG-CG2 3.87Å; K258-I516 PolarHBondContact NZ-O 3.23Å; M261-I516 HydrophobicContact CE-CD1 3.14Å; M261-I516 HydrophobicContact CE-CG1 3.91Å; L262-I516 HydrophobicContact CD2-CD1 4.13Å; L262-I516 HydrophobicContact CG-CD1 4.49Å; V512-I516 HydrophobicContact CG1-CD1 3.8Å; V512-I516 VanDerWaalsContact O-CD1 3.29Å; V512-I516 WeakPolarHBondContact O-CD1 3.32Å; V512-I516 WeakPolarHBondContact O-CG1 3.47Å; V512-I516 PolarHBondContact O-N 3.14Å; Q514-I516 VanDerWaalsContact C-N 3.34Å
517D80.5Confident85.6Confident98 Ų9848.8 Ų48.852%0.52423%0.233SC..  trans-82.60168.3-94.5-4.1000109.9K250 M251 K258K250-D517 HydrophobicContact CB-CB 4.33Å; K250-D517 HydrophobicContact CD-CB 4.27Å; K250-D517 WeakPolarHBondContact CD-OD1 3.4Å; K250-D517 WeakPolarHBondContact CD-OD2 3.43Å; K250-D517 WeakPolarHBondContact CE-OD1 3.49Å; K250-D517 IonicContact NZ-OD1 2.82Å; K250-D517 PolarHBondContact NZ-OD1 3.31Å; K250-D517 IonicContact NZ-OD2 2.91Å; K250-D517 PolarHBondContact NZ-OD2 3.23Å; M251-D517 PolarHBondContact O-N 3.16Å; K258-D517 PolarHBondContact NZ-OXT 3.07Å

Retrieved 517 of 517 residues in 259.3 ms (Link to these results)

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