A0A077ZL16_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077ZL16, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 393 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
1M63Low85.4Confident198 Ų19897.2 Ų97.298%0.97550%0.497SS*.  0141.80-67.3-167.9-162.500107.1E5M1-E5 HydrophobicContact CB-CB 4.24Å
2G86.1Confident85.6Confident37 Ų3790.8 Ų90.838%0.38147%0.47SS..  trans-73160.7167.400000109.5R4 E5 E6G2-R4 PolarHBondContact O-N 3Å; G2-R4 VanDerWaalsContact O-N 3.1Å; G2-E5 WeakPolarHBondContact CA-OE2 3.44Å; G2-E5 PolarHBondContact N-OE2 3.21Å; G2-E5 PolarHBondContact O-N 3.41Å; G2-E6 PolarHBondContact O-N 3.38Å; G2-E6 VanDerWaalsContact O-N 3.13Å
3L87.9Confident85.9Confident124 Ų12487.2 Ų87.265%0.64946%0.462SS*.Hα-helixtrans-53.9-31.7177.9-176.967.4000112.2I7L3-I7 HydrophobicContact CD1-CD1 4.15Å; L3-I7 HydrophobicContact CD1-CG1 4.39Å; L3-I7 HydrophobicContact CD2-CD1 4.48Å; L3-I7 HydrophobicContact CG-CD1 3.88Å; L3-I7 HydrophobicContact CG-CG1 4.47Å; L3-I7 WeakPolarHBondContact O-CB 3.4Å; L3-I7 VanDerWaalsContact O-CG1 3.28Å; L3-I7 WeakPolarHBondContact O-CG1 3.13Å; L3-I7 PolarHBondContact O-N 2.79Å
4R85.9Confident86.1Confident147 Ų14782.9 Ų82.956%0.55545%0.445SS*.Hα-helixtrans-63.9-47.2176.4-177.7179.9177-77.1-1.5111.8G2 E6 Q8G2-R4 PolarHBondContact O-N 3Å; G2-R4 VanDerWaalsContact O-N 3.1Å; R4-E6 VanDerWaalsContact C-N 3.33Å; R4-Q8 WeakPolarHBondContact O-CB 3.18Å; R4-Q8 WeakPolarHBondContact O-CG 3.32Å; R4-Q8 PolarHBondContact O-N 3.34Å
5E87.4Confident86.4Confident85 Ų8579.2 Ų79.240%0.39742%0.423SS..Hα-helixtrans-69.1-35180-66.473.4-138.400111.6M1 G2 Q8 S9M1-E5 HydrophobicContact CB-CB 4.24Å; G2-E5 WeakPolarHBondContact CA-OE2 3.44Å; G2-E5 PolarHBondContact N-OE2 3.21Å; G2-E5 PolarHBondContact O-N 3.41Å; E5-Q8 PolarHBondContact O-N 3.49Å; E5-S9 WeakPolarHBondContact O-CB 3.14Å; E5-S9 PolarHBondContact O-N 3Å
6E89.4Confident86.6Confident97 Ų9780.3 Ų80.345%0.45343%0.429SS..Hα-helixtrans-63.6-52.7175.9-174.2173.8-163.500111.3G2 R4 Q8 S9 E10G2-E6 PolarHBondContact O-N 3.38Å; G2-E6 VanDerWaalsContact O-N 3.13Å; R4-E6 VanDerWaalsContact C-N 3.33Å; E6-Q8 VanDerWaalsContact C-N 3.27Å; E6-Q8 PolarHBondContact O-N 3.16Å; E6-S9 WeakPolarHBondContact O-CB 3.48Å; E6-S9 PolarHBondContact O-N 2.88Å; E6-S9 VanDerWaalsContact O-N 3.14Å; E6-E10 WeakPolarHBondContact O-CG 3.5Å; E6-E10 PolarHBondContact O-N 3.49Å
7I87.6Confident86.8Confident85 Ų8584.3 Ų84.344%0.43645%0.445SS..Hα-helixtrans-59.8-39.8176.6-68.3170.8000111L3 E10 V11L3-I7 HydrophobicContact CD1-CD1 4.15Å; L3-I7 HydrophobicContact CD1-CG1 4.39Å; L3-I7 HydrophobicContact CD2-CD1 4.48Å; L3-I7 HydrophobicContact CG-CD1 3.88Å; L3-I7 HydrophobicContact CG-CG1 4.47Å; L3-I7 WeakPolarHBondContact O-CB 3.4Å; L3-I7 VanDerWaalsContact O-CG1 3.28Å; L3-I7 WeakPolarHBondContact O-CG1 3.13Å; L3-I7 PolarHBondContact O-N 2.79Å; I7-E10 PolarHBondContact O-N 2.9Å; I7-V11 HydrophobicContact CG2-CG2 4.15Å; I7-V11 WeakPolarHBondContact O-CB 3.47Å; I7-V11 VanDerWaalsContact O-CG2 3.25Å; I7-V11 WeakPolarHBondContact O-CG2 3.26Å; I7-V11 PolarHBondContact O-N 3.08Å
8Q86.6Confident86.9Confident51 Ų5187 Ų8724%0.23846%0.46CS..Hα-helixtrans-63.8-42.9177.6-77.6177.7-17.800112.1R4 E5 E6 A12 C81R4-Q8 WeakPolarHBondContact O-CB 3.18Å; R4-Q8 WeakPolarHBondContact O-CG 3.32Å; R4-Q8 PolarHBondContact O-N 3.34Å; E5-Q8 PolarHBondContact O-N 3.49Å; E6-Q8 VanDerWaalsContact C-N 3.27Å; E6-Q8 PolarHBondContact O-N 3.16Å; Q8-A12 VanDerWaalsContact O-CB 3.26Å; Q8-A12 WeakPolarHBondContact O-CB 3.21Å; Q8-A12 PolarHBondContact O-N 2.83Å; Q8-C81 HydrophobicContact CG-CB 4.41Å
9S87.3Confident87Confident75 Ų7586.5 Ų86.552%0.52446%0.457SS..Hα-helixtrans-63.9-41.2176.2-171.40000111.9E5 E6 A13E5-S9 WeakPolarHBondContact O-CB 3.14Å; E5-S9 PolarHBondContact O-N 3Å; E6-S9 WeakPolarHBondContact O-CB 3.48Å; E6-S9 PolarHBondContact O-N 2.88Å; E6-S9 VanDerWaalsContact O-N 3.14Å; S9-A13 WeakPolarHBondContact O-CB 3.28Å; S9-A13 PolarHBondContact O-N 3.05Å
10E89.9Confident87Confident122 Ų12284.8 Ų84.857%0.5746%0.455SS*.Hα-helixtrans-68.4-42.5179.1-72.5-176.2170.100112.2E6 I7 A13 A14E6-E10 WeakPolarHBondContact O-CG 3.5Å; E6-E10 PolarHBondContact O-N 3.49Å; I7-E10 PolarHBondContact O-N 2.9Å; E10-A13 PolarHBondContact O-N 2.84Å; E10-A14 WeakPolarHBondContact O-CB 3.32Å; E10-A14 PolarHBondContact O-N 2.88Å
11V88.2Confident87Confident48 Ų4887.9 Ų87.929%0.29147%0.472SS..Hα-helixtrans-70.3-37.3179.1178.60000111.4I7 A14 F15 L79I7-V11 HydrophobicContact CG2-CG2 4.15Å; I7-V11 WeakPolarHBondContact O-CB 3.47Å; I7-V11 VanDerWaalsContact O-CG2 3.25Å; I7-V11 WeakPolarHBondContact O-CG2 3.26Å; I7-V11 PolarHBondContact O-N 3.08Å; V11-A14 PolarHBondContact O-N 3.29Å; V11-F15 HydrophobicContact CG1-CD1 4.12Å; V11-F15 HydrophobicContact CG1-CE1 3.75Å; V11-F15 HydrophobicContact CG1-CE2 4.49Å; V11-F15 HydrophobicContact CG1-CZ 3.96Å; V11-F15 WeakPolarHBondContact O-CD1 3.47Å; V11-F15 WeakPolarHBondContact O-CG 3.3Å; V11-F15 PolarHBondContact O-N 2.93Å; V11-L79 HydrophobicContact CB-CD1 4.47Å; V11-L79 HydrophobicContact CG1-CD1 3.54Å
12A87.7Confident88.1Confident20 Ų2080.6 Ų80.617%0.16544%0.443CS..Hα-helixtrans-61.5-44.3173.300000111.4Q8 A14 F15 D16Q8-A12 VanDerWaalsContact O-CB 3.26Å; Q8-A12 WeakPolarHBondContact O-CB 3.21Å; Q8-A12 PolarHBondContact O-N 2.83Å; A12-A14 VanDerWaalsContact C-N 3.35Å; A12-A14 PolarHBondContact O-N 3.36Å; A12-F15 WeakPolarHBondContact O-CB 3.42Å; A12-F15 PolarHBondContact O-N 3.11Å; A12-D16 PolarHBondContact O-N 3.49Å
13A89.3Confident88.3Confident45 Ų4579.6 Ų79.637%0.37243%0.43SS..Hα-helixtrans-62.4-41.2174.700000112.1S9 E10 F15 D16 E17S9-A13 WeakPolarHBondContact O-CB 3.28Å; S9-A13 PolarHBondContact O-N 3.05Å; E10-A13 PolarHBondContact O-N 2.84Å; A13-F15 VanDerWaalsContact C-N 3.27Å; A13-F15 PolarHBondContact O-N 3.24Å; A13-D16 PolarHBondContact O-N 3.15Å; A13-D16 VanDerWaalsContact O-N 3.14Å; A13-E17 PolarHBondContact O-N 2.89Å; A13-E17 VanDerWaalsContact O-N 3.07Å
14A89.5Confident88.3Confident27 Ų2775.5 Ų75.522%0.22341%0.411CS..Hα-helixtrans-62.5-34.6175.200000112.2E10 V11 A12 D16 D18 L19E10-A14 WeakPolarHBondContact O-CB 3.32Å; E10-A14 PolarHBondContact O-N 2.88Å; V11-A14 PolarHBondContact O-N 3.29Å; A12-A14 VanDerWaalsContact C-N 3.35Å; A12-A14 PolarHBondContact O-N 3.36Å; A14-D16 VanDerWaalsContact C-N 3.31Å; A14-D18 PolarHBondContact O-N 3.45Å; A14-D18 VanDerWaalsContact O-N 3.12Å; A14-L19 HydrophobicContact CB-CD1 4.23Å; A14-L19 WeakPolarHBondContact O-CA 3.48Å; A14-L19 WeakPolarHBondContact O-CB 3.32Å; A14-L19 PolarHBondContact O-N 3.5Å
15F89.8Confident88.6Confident27 Ų2773.7 Ų73.712%0.11841%0.413CS..Hα-helixtrans-69.6-27.6175.8-7710.8000113V11 A12 A13 L19 A20 V23 L79V11-F15 HydrophobicContact CG1-CD1 4.12Å; V11-F15 HydrophobicContact CG1-CE1 3.75Å; V11-F15 HydrophobicContact CG1-CE2 4.49Å; V11-F15 HydrophobicContact CG1-CZ 3.96Å; V11-F15 WeakPolarHBondContact O-CD1 3.47Å; V11-F15 WeakPolarHBondContact O-CG 3.3Å; V11-F15 PolarHBondContact O-N 2.93Å; A12-F15 WeakPolarHBondContact O-CB 3.42Å; A12-F15 PolarHBondContact O-N 3.11Å; A13-F15 VanDerWaalsContact C-N 3.27Å; A13-F15 PolarHBondContact O-N 3.24Å; F15-L19 HydrophobicContact CD1-CB 4.14Å; F15-L19 HydrophobicContact CD1-CD1 3.83Å; F15-L19 HydrophobicContact CE1-CD1 3.86Å; F15-A20 WeakPolarHBondContact O-CA 3.41Å; F15-A20 PolarHBondContact O-N 2.8Å; F15-V23 HydrophobicContact CB-CG2 4.1Å; F15-V23 HydrophobicContact CD1-CG2 3.81Å; F15-V23 HydrophobicContact CD2-CG1 4.11Å; F15-V23 HydrophobicContact CD2-CG2 3.87Å; F15-V23 HydrophobicContact CE1-CG2 4.13Å; F15-V23 HydrophobicContact CE2-CG2 4.19Å; F15-V23 HydrophobicContact CG-CG1 4.45Å; F15-V23 HydrophobicContact CG-CG2 3.67Å; F15-V23 HydrophobicContact CZ-CG2 4.31Å; F15-L79 HydrophobicContact CE2-CD1 3.87Å; F15-L79 HydrophobicContact CE2-CG 4.34Å; F15-L79 HydrophobicContact CZ-CD1 3.93Å; F15-L79 HydrophobicContact CZ-CG 4.41Å
16D89.3Confident88.9Confident97 Ų9770 Ų7052%0.51940%0.395SS..Hα-helixtrans-84.6-23.8178.1-68.1-29000113.1A12 A13 A14 R53A12-D16 PolarHBondContact O-N 3.49Å; A13-D16 PolarHBondContact O-N 3.15Å; A13-D16 VanDerWaalsContact O-N 3.14Å; A14-D16 VanDerWaalsContact C-N 3.31Å; D16-R53 IonicContact OD1-CZ 2.67Å; D16-R53 IonicContact OD1-NH1 2.72Å; D16-R53 PolarHBondContact OD1-NH1 3.31Å; D16-R53 IonicContact OD1-NH2 2.78Å
17E90.5Very high89.1Confident148 Ų14867.1 Ų67.169%0.69239%0.386SS*.THydrogen-bonded Turntrans-114.3-84.8-176.3-61.8-177.4-173.500111.3A13 L19 A20A13-E17 PolarHBondContact O-N 2.89Å; A13-E17 VanDerWaalsContact O-N 3.07Å; E17-L19 VanDerWaalsContact C-N 3.34Å; E17-L19 PolarHBondContact O-N 2.93Å; E17-A20 PolarHBondContact O-N 3.21Å
18D88.8Confident89.5Confident133 Ų13363.1 Ų63.171%0.71137%0.365SS*.THydrogen-bonded Turntrans-72.4-23.7-166.9-67.6-31.5000114.5A14A14-D18 PolarHBondContact O-N 3.45Å; A14-D18 VanDerWaalsContact O-N 3.12Å
19L88.2Confident89.7Confident77 Ų7761.9 Ų61.940%0.40336%0.362SS..THydrogen-bonded Turntrans-116.110.3-176.9-57.7175.7000112.4A14 F15 E17 D21 A22 V23A14-L19 HydrophobicContact CB-CD1 4.23Å; A14-L19 WeakPolarHBondContact O-CA 3.48Å; A14-L19 WeakPolarHBondContact O-CB 3.32Å; A14-L19 PolarHBondContact O-N 3.5Å; F15-L19 HydrophobicContact CD1-CB 4.14Å; F15-L19 HydrophobicContact CD1-CD1 3.83Å; F15-L19 HydrophobicContact CE1-CD1 3.86Å; E17-L19 VanDerWaalsContact C-N 3.34Å; E17-L19 PolarHBondContact O-N 2.93Å; L19-D21 PolarHBondContact O-N 3.47Å; L19-A22 PolarHBondContact O-N 3.03Å; L19-V23 HydrophobicContact CB-CG2 4.42Å; L19-V23 WeakPolarHBondContact O-CG2 3.49Å; L19-V23 PolarHBondContact O-N 3.44Å; L19-V23 VanDerWaalsContact O-N 3.1Å
20A87.5Confident90Very high52 Ų5261.5 Ų61.543%0.4335%0.35SS..THydrogen-bonded Turntrans-62-23.7-177.700000113.5F15 E17F15-A20 WeakPolarHBondContact O-CA 3.41Å; F15-A20 PolarHBondContact O-N 2.8Å; E17-A20 PolarHBondContact O-N 3.21Å
21D86.8Confident89.8Confident150 Ų15059 Ų5980%0.80234%0.343SS*.THydrogen-bonded Turntrans-77.3-23.1175.671.4-36.7000113.3L19L19-D21 PolarHBondContact O-N 3.47Å
22A86.9Confident89.5Confident45 Ų4559 Ų5937%0.37234%0.343SS..THydrogen-bonded Turntrans-97.3-21.6-178.400000113.2L19L19-A22 PolarHBondContact O-N 3.03Å
23V89.8Confident89Confident17 Ų1765.3 Ų65.310%0.10337%0.369CS..  trans-94.9137.1-177.8179.60000110F15 L19 R53 V55F15-V23 HydrophobicContact CB-CG2 4.1Å; F15-V23 HydrophobicContact CD1-CG2 3.81Å; F15-V23 HydrophobicContact CD2-CG1 4.11Å; F15-V23 HydrophobicContact CD2-CG2 3.87Å; F15-V23 HydrophobicContact CE1-CG2 4.13Å; F15-V23 HydrophobicContact CE2-CG2 4.19Å; F15-V23 HydrophobicContact CG-CG1 4.45Å; F15-V23 HydrophobicContact CG-CG2 3.67Å; F15-V23 HydrophobicContact CZ-CG2 4.31Å; L19-V23 HydrophobicContact CB-CG2 4.42Å; L19-V23 WeakPolarHBondContact O-CG2 3.49Å; L19-V23 PolarHBondContact O-N 3.44Å; L19-V23 VanDerWaalsContact O-N 3.1Å; V23-R53 HydrophobicContact CG1-CB 3.83Å; V23-V55 HydrophobicContact CG2-CG2 4.24Å
24S89Confident88.2Confident37 Ų3771.5 Ų71.526%0.25938%0.382SS..EExtended strand (participates in β ladder)trans-127.9138.7176.2-65.20000110.6R53 G54S24-R53 WeakPolarHBondContact O-CA 3.43Å; S24-G54 PolarHBondContact N-O 3.04Å; S24-G54 PolarHBondContact O-N 3.48Å
25D92.1Very high87.2Confident110 Ų11078.6 Ų78.659%0.58841%0.411SS*.EExtended strand (participates in β ladder)trans-70.4138.9169.8-61.8-17.9000109.5G52 R53D25-G52 WeakPolarHBondContact CA-O 3.39Å; D25-R53 WeakPolarHBondContact OD1-CD 3.39Å; D25-R53 WeakPolarHBondContact OD1-CG 3.32Å
26F93.6Very high86.5Confident8 Ų884.1 Ų84.14%0.03543%0.431CS..EExtended strand (participates in β ladder)trans-133.7152.9173.871.1-93000111Y50 T51 G52 L76 A78 V83 I93 E94 I95F26-Y50 HydrophobicContact CE2-CD2 4.3Å; F26-Y50 AromaticContact CE2-CE2 3.97Å; F26-Y50 HydrophobicContact CE2-CE2 3.97Å; F26-T51 WeakPolarHBondContact O-CA 3.36Å; F26-G52 VanDerWaalsContact CD1-C 3.47Å; F26-G52 VanDerWaalsContact CD1-O 3.23Å; F26-G52 WeakPolarHBondContact CD1-O 3.04Å; F26-G52 PolarHBondContact N-O 2.87Å; F26-G52 PolarHBondContact O-N 2.87Å; F26-L76 HydrophobicContact CD1-CD1 4.1Å; F26-L76 HydrophobicContact CD1-CD2 4.07Å; F26-L76 HydrophobicContact CD2-CD2 4.28Å; F26-L76 HydrophobicContact CE1-CD1 4.3Å; F26-L76 HydrophobicContact CE1-CD2 4Å; F26-L76 HydrophobicContact CE2-CD2 4.22Å; F26-L76 HydrophobicContact CG-CD2 4.21Å; F26-L76 HydrophobicContact CZ-CD2 4.07Å; F26-A78 HydrophobicContact CE1-CB 3.86Å; F26-A78 HydrophobicContact CZ-CB 4.12Å; F26-V83 HydrophobicContact CE1-CG2 4.42Å; F26-V83 HydrophobicContact CE2-CG1 4.09Å; F26-V83 HydrophobicContact CZ-CB 4.47Å; F26-V83 HydrophobicContact CZ-CG1 3.76Å; F26-V83 HydrophobicContact CZ-CG2 3.81Å; F26-I93 HydrophobicContact CB-CG2 4.03Å; F26-I93 HydrophobicContact CD2-CG2 3.91Å; F26-I93 HydrophobicContact CG-CG2 4.23Å; F26-E94 VanDerWaalsContact CA-O 3.31Å; F26-E94 WeakPolarHBondContact CA-O 3.46Å; F26-I95 HydrophobicContact CB-CB 3.89Å; F26-I95 HydrophobicContact CB-CD1 3.87Å; F26-I95 HydrophobicContact CB-CG1 3.95Å
27S93.7Very high85.7Confident36 Ų3682.3 Ų82.325%0.25242%0.421SS..EExtended strand (participates in β ladder)trans-119.2125.1168.360.80000109.7Y50 E94S27-Y50 CarbonylContact C-O 3.59Å; S27-Y50 WeakPolarHBondContact CA-O 3.46Å; S27-E94 PolarHBondContact N-O 2.89Å; S27-E94 PolarHBondContact O-N 2.73Å
28G94.4Very high84.9Confident0 Ų079.7 Ų79.70%042%0.417CS..EExtended strand (participates in β ladder)trans-99149.1170.200000111.5I49 Y50 I92G28-I49 CarbonylContact O-C 3.6Å; G28-I49 WeakPolarHBondContact O-CA 3.45Å; G28-Y50 VanDerWaalsContact C-CE1 3.49Å; G28-Y50 VanDerWaalsContact CA-CZ 3.44Å; G28-Y50 PolarHBondContact N-O 3.15Å; G28-Y50 WeakPolarHBondContact O-CD1 3.5Å; G28-Y50 PolarHBondContact O-N 3.02Å; G28-I92 CarbonylContact C-O 3.6Å; G28-I92 VanDerWaalsContact CA-O 3.24Å; G28-I92 WeakPolarHBondContact CA-O 3.28Å
29S92.4Very high84.4Confident25 Ų2579.5 Ų79.518%0.17542%0.42CS..EExtended strand (participates in β ladder)trans-138.7146.2175.764.40000111.6A48 I92S29-A48 VanDerWaalsContact CA-O 3.26Å; S29-A48 WeakPolarHBondContact CA-O 3.49Å; S29-I92 PolarHBondContact N-O 2.91Å; S29-I92 PolarHBondContact O-N 3.47Å
30Y91.9Very high83.6Confident67 Ų6779.6 Ų79.626%0.26342%0.424SS..EExtended strand (participates in β ladder)trans-147.2151.9174.165.3-80.6000110.1T32 T47 A48 Y50 D85 H91Y30-T32 HydrophobicContact CD2-CG2 3.78Å; Y30-T32 HydrophobicContact CE2-CG2 3.32Å; Y30-T47 WeakPolarHBondContact O-CA 3.33Å; Y30-A48 HydrophobicContact CD1-CB 4.02Å; Y30-A48 HydrophobicContact CD2-CB 4.36Å; Y30-A48 HydrophobicContact CE1-CB 3.49Å; Y30-A48 VanDerWaalsContact CE1-CB 3.49Å; Y30-A48 HydrophobicContact CE2-CB 3.9Å; Y30-A48 HydrophobicContact CG-CB 4.42Å; Y30-A48 VanDerWaalsContact CZ-CB 3.4Å; Y30-A48 PolarHBondContact N-O 3.48Å; Y30-A48 PolarHBondContact O-N 3.28Å; Y30-Y50 HydrophobicContact CD1-CD1 4.03Å; Y30-Y50 AromaticContact CD1-CE1 3.91Å; Y30-Y50 HydrophobicContact CD1-CE1 3.91Å; Y30-Y50 HydrophobicContact CE1-CD1 4.02Å; Y30-Y50 HydrophobicContact CE1-CE1 4.28Å; Y30-D85 PolarHBondContact OH-OD2 3.14Å; Y30-D85 VanDerWaalsContact OH-OD2 3.12Å; Y30-H91 AromaticContact CD1-CE1 3.64Å; Y30-H91 AromaticContact CD1-NE2 3.94Å; Y30-H91 AromaticContact CG-CE1 3.86Å; Y30-H91 AromaticContact CG-NE2 3.66Å
31V87.2Confident82.6Confident70 Ų7084.5 Ų84.542%0.42444%0.438SS..EExtended strand (participates in β ladder)trans-89.1126.7179.3-178.80000109.2E45V31-E45 HydrophobicContact CG1-CB 3.85Å; V31-E45 HydrophobicContact CG1-CG 3.83Å
32T81.1Confident81.6Confident48 Ų4881.6 Ų81.629%0.29443%0.426SS..EExtended strand (participates in β ladder)trans-104.3128.7168.559.20000109.4Y30 S46 A48Y30-T32 HydrophobicContact CD2-CG2 3.78Å; Y30-T32 HydrophobicContact CE2-CG2 3.32Å; T32-S46 PolarHBondContact N-O 3.04Å; T32-S46 PolarHBondContact O-N 2.69Å; T32-S46 PolarHBondContact OG1-O 2.71Å; T32-A48 HydrophobicContact CG2-CB 4.34Å
33H77.5Confident80.8Confident153 Ų15381.4 Ų81.471%0.70843%0.429SS*.EExtended strand (participates in β ladder)trans-82.4117.4173.9-64.981.6000108.2
34R71.8Confident80.1Confident174 Ų17482.6 Ų82.666%0.65744%0.444SS*.  trans-77.9164.7171.1-73.5-165.4179.6-164.42.9110.9W36 G44R34-W36 PolarHBondContact O-N 2.89Å; R34-W36 VanDerWaalsContact O-N 3.08Å; R34-G44 WeakPolarHBondContact CB-O 3.41Å; R34-G44 PolarHBondContact N-O 3.47Å
35H69Low79.8Confident177 Ų17787.8 Ų87.882%0.81946%0.464SS*.  trans-44.3114.3-179-172.471.8000111.6D37H35-D37 PolarHBondContact O-N 2.65Å
36W76Confident79.3Confident143 Ų14384.4 Ų84.454%0.54245%0.449SS..  trans-66.1120.2174.7176.7-96.8000109.5R34 P38 E41R34-W36 PolarHBondContact O-N 2.89Å; R34-W36 VanDerWaalsContact O-N 3.08Å; W36-P38 VanDerWaalsContact O-CD 3.28Å; W36-P38 WeakPolarHBondContact O-CD 3.32Å; W36-E41 HydrophobicContact CH2-CB 4.27Å; W36-E41 WeakPolarHBondContact CH2-O 3.22Å; W36-E41 HydrophobicContact CZ2-CB 4.08Å; W36-E41 HydrophobicContact CZ2-CG 4.47Å
37D72.7Confident79.1Confident58 Ų5888.1 Ų88.131%0.3147%0.473SS..BIsolated β-bridgetrans-82.7110.5169175.79.3000108.8H35 V39 T40 E41 T42H35-D37 PolarHBondContact O-N 2.65Å; D37-V39 PolarHBondContact O-N 3.27Å; D37-V39 PolarHBondContact OD1-N 3.32Å; D37-T40 WeakPolarHBondContact CB-OG1 3.47Å; D37-T40 VanDerWaalsContact CG-OG1 3.25Å; D37-T40 WeakPolarHBondContact OD2-CG2 3.5Å; D37-T40 PolarHBondContact OD2-OG1 3.3Å; D37-E41 PolarHBondContact O-N 2.72Å; D37-T42 PolarHBondContact N-O 3Å
38P73.6Confident78.9Confident94 Ų9487.5 Ų87.561%0.6147%0.47SS*.THydrogen-bonded Turntrans-67.9-15.3-177.429.9-35.9000113.4W36W36-P38 VanDerWaalsContact O-CD 3.28Å; W36-P38 WeakPolarHBondContact O-CD 3.32Å
39V76.6Confident78.9Confident129 Ų12993.4 Ų93.478%0.78250%0.5SS*.THydrogen-bonded Turntrans-90.2-33.8-175.6-175.50000112.1D37D37-V39 PolarHBondContact O-N 3.27Å; D37-V39 PolarHBondContact OD1-N 3.32Å
40T72Confident78.9Confident79 Ų7992.4 Ų92.449%0.48549%0.493SS..THydrogen-bonded Turntrans-97.8-5.5177.955.90000113.8D37 T42D37-T40 WeakPolarHBondContact CB-OG1 3.47Å; D37-T40 VanDerWaalsContact CG-OG1 3.25Å; D37-T40 WeakPolarHBondContact OD2-CG2 3.5Å; D37-T40 PolarHBondContact OD2-OG1 3.3Å; T40-T42 PolarHBondContact O-N 2.92Å; T40-T42 VanDerWaalsContact O-N 3.13Å; T40-T42 PolarHBondContact OG1-OG1 3.48Å
41E67Low79Confident154 Ų15493 Ų9372%0.7250%0.503SS*.THydrogen-bonded Turntrans51.130.6-172-60.4-173.3166.500112.8W36 D37W36-E41 HydrophobicContact CH2-CB 4.27Å; W36-E41 WeakPolarHBondContact CH2-O 3.22Å; W36-E41 HydrophobicContact CZ2-CB 4.08Å; W36-E41 HydrophobicContact CZ2-CG 4.47Å; D37-E41 PolarHBondContact O-N 2.72Å
42T64.8Low79.3Confident90 Ų9089.9 Ų89.955%0.55249%0.486SS*.BIsolated β-bridgetrans-111.4124.5175.952.20000110.5D37 T40D37-T42 PolarHBondContact N-O 3Å; T40-T42 PolarHBondContact O-N 2.92Å; T40-T42 VanDerWaalsContact O-N 3.13Å; T40-T42 PolarHBondContact OG1-OG1 3.48Å
43G71.7Confident79.8Confident41 Ų4190.3 Ų90.342%0.42348%0.482SS..  trans-112135.2165.100000108.8
44G75Confident80.4Confident42 Ų4283 Ų8343%0.43345%0.448SS..  trans-86.1127.3170.700000110.3R34R34-G44 WeakPolarHBondContact CB-O 3.41Å; R34-G44 PolarHBondContact N-O 3.47Å
45E81.4Confident81.3Confident145 Ų14576.9 Ų76.968%0.67843%0.43SS*.EExtended strand (participates in β ladder)trans-81.7134.4161-71.2-180-172.900109V31V31-E45 HydrophobicContact CG1-CB 3.85Å; V31-E45 HydrophobicContact CG1-CG 3.83Å
46S82.8Confident82.2Confident39 Ų3969.5 Ų69.527%0.27340%0.397SS..EExtended strand (participates in β ladder)trans-125116.8171.9-177.60000108.2T32 A48T32-S46 PolarHBondContact N-O 3.04Å; T32-S46 PolarHBondContact O-N 2.69Å; T32-S46 PolarHBondContact OG1-O 2.71Å; S46-A48 PolarHBondContact O-N 3.26Å
47T88.1Confident82.7Confident86 Ų8666.1 Ų66.153%0.52839%0.392SS..EExtended strand (participates in β ladder)trans-73.4117.9171.9-50.10000109.2Y30 I49Y30-T47 WeakPolarHBondContact O-CA 3.33Å; T47-I49 HydrophobicContact CG2-CG1 4.23Å
48A90.4Very high83.3Confident23 Ų2370.2 Ų70.219%0.1940%0.403CS..EExtended strand (participates in β ladder)trans-87.8135.816700000108.3S29 Y30 T32 S46S29-A48 VanDerWaalsContact CA-O 3.26Å; S29-A48 WeakPolarHBondContact CA-O 3.49Å; Y30-A48 HydrophobicContact CD1-CB 4.02Å; Y30-A48 HydrophobicContact CD2-CB 4.36Å; Y30-A48 HydrophobicContact CE1-CB 3.49Å; Y30-A48 VanDerWaalsContact CE1-CB 3.49Å; Y30-A48 HydrophobicContact CE2-CB 3.9Å; Y30-A48 HydrophobicContact CG-CB 4.42Å; Y30-A48 VanDerWaalsContact CZ-CB 3.4Å; Y30-A48 PolarHBondContact N-O 3.48Å; Y30-A48 PolarHBondContact O-N 3.28Å; T32-A48 HydrophobicContact CG2-CB 4.34Å; S46-A48 PolarHBondContact O-N 3.26Å
49I93.1Very high83.7Confident125 Ų12569.5 Ų69.564%0.64139%0.388SS*.EExtended strand (participates in β ladder)trans-120.8131.2178.9-57.3173.1000107.2G28 T47G28-I49 CarbonylContact O-C 3.6Å; G28-I49 WeakPolarHBondContact O-CA 3.45Å; T47-I49 HydrophobicContact CG2-CG1 4.23Å
50Y93.6Very high83.7Confident3 Ų371.6 Ų71.61%0.01239%0.387CS..EExtended strand (participates in β ladder)trans-121.9152.8171.560.5-88.8000109.4F26 S27 G28 Y30 V83 T84 D85 P87 H91F26-Y50 HydrophobicContact CE2-CD2 4.3Å; F26-Y50 AromaticContact CE2-CE2 3.97Å; F26-Y50 HydrophobicContact CE2-CE2 3.97Å; S27-Y50 CarbonylContact C-O 3.59Å; S27-Y50 WeakPolarHBondContact CA-O 3.46Å; G28-Y50 VanDerWaalsContact C-CE1 3.49Å; G28-Y50 VanDerWaalsContact CA-CZ 3.44Å; G28-Y50 PolarHBondContact N-O 3.15Å; G28-Y50 WeakPolarHBondContact O-CD1 3.5Å; G28-Y50 PolarHBondContact O-N 3.02Å; Y30-Y50 HydrophobicContact CD1-CD1 4.03Å; Y30-Y50 AromaticContact CD1-CE1 3.91Å; Y30-Y50 HydrophobicContact CD1-CE1 3.91Å; Y30-Y50 HydrophobicContact CE1-CD1 4.02Å; Y30-Y50 HydrophobicContact CE1-CE1 4.28Å; Y50-V83 HydrophobicContact CD2-CG1 3.84Å; Y50-V83 HydrophobicContact CE2-CG1 4.28Å; Y50-T84 WeakPolarHBondContact CA-OG1 3.16Å; Y50-T84 VanDerWaalsContact CB-OG1 3.26Å; Y50-T84 WeakPolarHBondContact CB-OG1 3.43Å; Y50-D85 HydrophobicContact CD1-CB 4.17Å; Y50-D85 HydrophobicContact CD2-CB 4.47Å; Y50-D85 HydrophobicContact CG-CB 3.85Å; Y50-P87 HydrophobicContact CE2-CB 4.35Å; Y50-P87 HydrophobicContact CE2-CG 4.01Å; Y50-P87 WeakPolarHBondContact OH-CA 3.49Å; Y50-H91 AromaticContact CE1-ND1 3.38Å; Y50-H91 WeakPolarHBondContact CE1-ND1 3.13Å; Y50-H91 AromaticContact CZ-ND1 3.58Å; Y50-H91 WeakPolarHBondContact OH-CB 3.33Å; Y50-H91 PolarHBondContact OH-ND1 2.78Å; Y50-H91 VanDerWaalsContact OH-ND1 3.08Å
51T94.5Very high83.8Confident79 Ų7974.4 Ų74.449%0.48540%0.399SS..EExtended strand (participates in β ladder)trans-120.4155.5177.256.60000109.6F26 V83 T84F26-T51 WeakPolarHBondContact O-CA 3.36Å; T51-V83 WeakPolarHBondContact O-CA 3.48Å; T51-T84 PolarHBondContact N-OG1 2.78Å; T51-T84 PolarHBondContact O-N 3.4Å; T51-T84 PolarHBondContact O-OG1 3.45Å
52G93.3Very high84.1Confident6 Ų670.1 Ų70.16%0.06240%0.395CS..EExtended strand (participates in β ladder)trans-167.4-175.3165.200000112.6D25 F26 E82D25-G52 WeakPolarHBondContact CA-O 3.39Å; F26-G52 VanDerWaalsContact CD1-C 3.47Å; F26-G52 VanDerWaalsContact CD1-O 3.23Å; F26-G52 WeakPolarHBondContact CD1-O 3.04Å; F26-G52 PolarHBondContact N-O 2.87Å; F26-G52 PolarHBondContact O-N 2.87Å; G52-E82 WeakPolarHBondContact CA-O 3.21Å
53R90.6Very high84.6Confident56 Ų5670 Ų7021%0.21139%0.385CS..EExtended strand (participates in β ladder)trans-128.4139.3-179.7-53.8-170.7-70173.80.7109.7D16 V23 S24 D25 A78 E82D16-R53 IonicContact OD1-CZ 2.67Å; D16-R53 IonicContact OD1-NH1 2.72Å; D16-R53 PolarHBondContact OD1-NH1 3.31Å; D16-R53 IonicContact OD1-NH2 2.78Å; V23-R53 HydrophobicContact CG1-CB 3.83Å; S24-R53 WeakPolarHBondContact O-CA 3.43Å; D25-R53 WeakPolarHBondContact OD1-CD 3.39Å; D25-R53 WeakPolarHBondContact OD1-CG 3.32Å; R53-A78 WeakPolarHBondContact O-CB 3.48Å; R53-E82 IonicContact CZ-OE2 2.61Å; R53-E82 VanDerWaalsContact CZ-OE2 3.24Å; R53-E82 PolarHBondContact N-O 2.85Å; R53-E82 IonicContact NE-OE2 2.82Å; R53-E82 PolarHBondContact NE-OE2 3.2Å; R53-E82 IonicContact NH2-OE1 3.06Å; R53-E82 IonicContact NH2-OE2 3.23Å; R53-E82 PolarHBondContact NH2-OE2 2.82Å
54G89.9Confident84.7Confident0 Ų070.2 Ų70.20%038%0.376CS..EExtended strand (participates in β ladder)trans-164.6174-177.400000113.1S24 T77S24-G54 PolarHBondContact N-O 3.04Å; S24-G54 PolarHBondContact O-N 3.48Å; G54-T77 CarbonylContact C-O 3.51Å; G54-T77 WeakPolarHBondContact CA-O 3.36Å
55V90.6Very high84.6Confident45 Ų4570.9 Ų70.927%0.27337%0.369SS..EExtended strand (participates in β ladder)trans-100.3126.6177.7-178.10000108.5V23 T77V23-V55 HydrophobicContact CG2-CG2 4.24Å; V55-T77 PolarHBondContact N-O 2.87Å; V55-T77 PolarHBondContact O-N 2.96Å
56L88.3Confident84.1Confident23 Ų2366.2 Ų66.212%0.1236%0.36CS..EExtended strand (participates in β ladder)trans-99.8122.2175.2-151.772.8000109.6L74 K75 L76 I95 P98L56-L74 HydrophobicContact CD1-CB 4.24Å; L56-L74 HydrophobicContact CD2-CB 4.33Å; L56-L74 HydrophobicContact CD2-CD1 3.58Å; L56-L74 HydrophobicContact CD2-CG 4.45Å; L56-L74 HydrophobicContact CG-CB 4.1Å; L56-L74 HydrophobicContact CG-CD1 4.21Å; L56-K75 WeakPolarHBondContact CA-O 3.39Å; L56-L76 HydrophobicContact CD1-CB 3.85Å; L56-L76 HydrophobicContact CD1-CD1 3.99Å; L56-I95 HydrophobicContact CB-CD1 4.28Å; L56-I95 HydrophobicContact CD1-CD1 4.12Å; L56-I95 HydrophobicContact CD1-CG2 4.29Å; L56-I95 HydrophobicContact CD2-CD1 4.3Å; L56-I95 HydrophobicContact CD2-CG2 3.76Å; L56-I95 HydrophobicContact CG-CD1 4.48Å; L56-P98 HydrophobicContact CD2-CG 4.43Å
57T87.8Confident83.5Confident72 Ų7270.9 Ų70.944%0.44238%0.381SS..EExtended strand (participates in β ladder)trans-131.2143-176.9-53.60000111.1K75T57-K75 PolarHBondContact N-O 3.09Å; T57-K75 PolarHBondContact O-N 2.67Å
58R84.8Confident82.5Confident143 Ų14369.3 Ų69.354%0.5437%0.369SS..EExtended strand (participates in β ladder)trans-73.5146.5172.1-76.1179.8173-179.8-5.7111.9L74R58-L74 HydrophobicContact CB-CD2 4.37Å; R58-L74 HydrophobicContact CG-CD2 3.48Å; R58-L74 VanDerWaalsContact CG-CD2 3.48Å
59Y81.4Confident81.7Confident79 Ų7968.3 Ų68.331%0.3136%0.36SS..PPolyproline II helixtrans-62.4145.8166.7-70.5-78.1000110.7I69 D73 K75Y59-I69 HydrophobicContact CD1-CD1 4.05Å; Y59-I69 HydrophobicContact CD1-CG2 4.37Å; Y59-I69 HydrophobicContact CD2-CG2 3.57Å; Y59-I69 HydrophobicContact CE1-CD1 4.09Å; Y59-I69 HydrophobicContact CE2-CG2 4.12Å; Y59-I69 HydrophobicContact CG-CD1 4.44Å; Y59-I69 HydrophobicContact CG-CG2 3.72Å; Y59-D73 HydrophobicContact CD2-CB 4.03Å; Y59-D73 WeakPolarHBondContact CD2-O 3.4Å; Y59-D73 HydrophobicContact CE2-CB 3.92Å; Y59-K75 HydrophobicContact CE1-CB 4.44Å; Y59-K75 HydrophobicContact CE2-CB 4.5Å
60K77.2Confident81Confident174 Ų17466.6 Ų66.676%0.75735%0.352SS*.PPolyproline II helixtrans-61.7141.5171.9-67.8-178.5179.4177.40108.4G62 R63K60-G62 PolarHBondContact O-N 2.79Å; K60-R63 HydrophobicContact CB-CG 4.46Å; K60-R63 WeakPolarHBondContact O-CB 3.42Å; K60-R63 PolarHBondContact O-N 2.92Å
61L72.9Confident80.1Confident138 Ų13873.3 Ų73.372%0.72338%0.383SS*.G310 helixtrans-48.7-38179.6-79.1161.9000113.4R63 I64L61-R63 PolarHBondContact O-N 2.78Å; L61-I64 HydrophobicContact CD2-CD1 4.48Å; L61-I64 PolarHBondContact O-N 2.58Å
62G73.5Confident79.4Confident63 Ų6372.1 Ų72.165%0.64939%0.387SS*.G310 helixtrans-72.2-5.9178.300000115.8K60K60-G62 PolarHBondContact O-N 2.79Å
63R76.8Confident79Confident89 Ų8974.7 Ų74.734%0.33640%0.399SS..G310 helixtrans-99.6-12.4176-67.6-68.3-63.1-92.6-1.5112.8K60 L61 D65 I69K60-R63 HydrophobicContact CB-CG 4.46Å; K60-R63 WeakPolarHBondContact O-CB 3.42Å; K60-R63 PolarHBondContact O-N 2.92Å; L61-R63 PolarHBondContact O-N 2.78Å; R63-D65 PolarHBondContact O-N 2.85Å; R63-I69 HydrophobicContact CB-CD1 4.42Å
64I72.9Confident78.8Confident45 Ų4573.4 Ų73.423%0.23140%0.396CS..  trans-82.5110.6-179.5-59.9170.1000107.1L61 I69 H71L61-I64 HydrophobicContact CD2-CD1 4.48Å; L61-I64 PolarHBondContact O-N 2.58Å; I64-I69 WeakPolarHBondContact CA-O 3.34Å; I64-I69 HydrophobicContact CG1-CG2 4.15Å; I64-I69 WeakPolarHBondContact CG2-O 3.36Å; I64-H71 HydrophobicContact CG2-CB 4.26Å
65D72.6Confident78.7Confident55 Ų5578.7 Ų78.729%0.29442%0.419SS..  trans-104.7-7.3-178.164.72.6000112.9R63 I67 N68 I69R63-D65 PolarHBondContact O-N 2.85Å; D65-I67 PolarHBondContact O-N 2.83Å; D65-I67 PolarHBondContact OD1-N 2.85Å; D65-N68 PolarHBondContact OD1-N 2.99Å; D65-N68 WeakPolarHBondContact OD2-CB 3.33Å; D65-N68 PolarHBondContact OD2-N 3.19Å; D65-N68 PolarHBondContact OD2-ND2 2.75Å; D65-I69 PolarHBondContact N-O 2.79Å; D65-I69 PolarHBondContact OD1-N 3.1Å
66G71.4Confident78.6Confident47 Ų4778.8 Ų78.849%0.48542%0.418SS..SBendtrans73.55.4-178.800000114.4I69 L70G66-I69 PolarHBondContact N-O 2.88Å; G66-I69 VanDerWaalsContact N-O 3.15Å; G66-L70 WeakPolarHBondContact O-CD2 3.3Å
67I70.3Confident78.6Confident138 Ų13881.2 Ų81.271%0.70843%0.434SS*.SBendtrans-125.5-53.3-179.8-61.4177.8000110.5D65D65-I67 PolarHBondContact O-N 2.83Å; D65-I67 PolarHBondContact OD1-N 2.85Å
68N67.3Low78.5Confident52 Ų5279.5 Ų79.528%0.27843%0.427SS..SBendtrans-101.1-32.5-180-54.4-63.1000112.4D65 I111D65-N68 PolarHBondContact OD1-N 2.99Å; D65-N68 WeakPolarHBondContact OD2-CB 3.33Å; D65-N68 PolarHBondContact OD2-N 3.19Å; D65-N68 PolarHBondContact OD2-ND2 2.75Å; N68-I111 HydrophobicContact CB-CD1 4.13Å; N68-I111 VanDerWaalsContact O-CD1 3.31Å; N68-I111 WeakPolarHBondContact O-CD1 3.36Å
69I73.3Confident78.4Confident3 Ų376 Ų762%0.01542%0.418CS..SBendtrans-127110173.7-59.6176.9000107.4Y59 R63 I64 D65 G66 D73 I111 F116Y59-I69 HydrophobicContact CD1-CD1 4.05Å; Y59-I69 HydrophobicContact CD1-CG2 4.37Å; Y59-I69 HydrophobicContact CD2-CG2 3.57Å; Y59-I69 HydrophobicContact CE1-CD1 4.09Å; Y59-I69 HydrophobicContact CE2-CG2 4.12Å; Y59-I69 HydrophobicContact CG-CD1 4.44Å; Y59-I69 HydrophobicContact CG-CG2 3.72Å; R63-I69 HydrophobicContact CB-CD1 4.42Å; I64-I69 WeakPolarHBondContact CA-O 3.34Å; I64-I69 HydrophobicContact CG1-CG2 4.15Å; I64-I69 WeakPolarHBondContact CG2-O 3.36Å; D65-I69 PolarHBondContact N-O 2.79Å; D65-I69 PolarHBondContact OD1-N 3.1Å; G66-I69 PolarHBondContact N-O 2.88Å; G66-I69 VanDerWaalsContact N-O 3.15Å; I69-D73 WeakPolarHBondContact CA-OD2 3.46Å; I69-D73 HydrophobicContact CG2-CB 4.29Å; I69-I111 HydrophobicContact CG1-CD1 4.43Å; I69-F116 HydrophobicContact CD1-CE1 4.3Å; I69-F116 HydrophobicContact CD1-CZ 4.49Å
70L77.4Confident78.5Confident88 Ų8878.5 Ų78.546%0.46144%0.442SS..  trans-83.6159.2177.2-58.4-178.8000110.9G66 G72 D73G66-L70 WeakPolarHBondContact O-CD2 3.3Å; L70-G72 PolarHBondContact O-N 2.92Å; L70-D73 PolarHBondContact N-OD2 3.18Å; L70-D73 PolarHBondContact O-N 2.85Å
71H75.3Confident78.8Confident145 Ų14572.8 Ų72.867%0.67142%0.423SS*.THydrogen-bonded Turntrans-63.6-15.2-179-160.4-71.4000113.5I64I64-H71 HydrophobicContact CG2-CB 4.26Å
72G80.4Confident79.5Confident54 Ų5467.8 Ų67.856%0.55740%0.396SS*.THydrogen-bonded Turntrans-92.4-8.3175.900000114.8L70L70-G72 PolarHBondContact O-N 2.92Å
73D84.5Confident80.4Confident59 Ų5965.9 Ų65.932%0.31637%0.372SS..  trans-77.2144.7-171.7-62.7-12.3000111.9Y59 I69 L70Y59-D73 HydrophobicContact CD2-CB 4.03Å; Y59-D73 WeakPolarHBondContact CD2-O 3.4Å; Y59-D73 HydrophobicContact CE2-CB 3.92Å; I69-D73 WeakPolarHBondContact CA-OD2 3.46Å; I69-D73 HydrophobicContact CG2-CB 4.29Å; L70-D73 PolarHBondContact N-OD2 3.18Å; L70-D73 PolarHBondContact O-N 2.85Å
74L86.6Confident81.1Confident29 Ų2966.6 Ų66.615%0.15239%0.386CS..EExtended strand (participates in β ladder)trans-128.1148.7-176.4-66.2169.9000110.6L56 R58 Y106L56-L74 HydrophobicContact CD1-CB 4.24Å; L56-L74 HydrophobicContact CD2-CB 4.33Å; L56-L74 HydrophobicContact CD2-CD1 3.58Å; L56-L74 HydrophobicContact CD2-CG 4.45Å; L56-L74 HydrophobicContact CG-CB 4.1Å; L56-L74 HydrophobicContact CG-CD1 4.21Å; R58-L74 HydrophobicContact CB-CD2 4.37Å; R58-L74 HydrophobicContact CG-CD2 3.48Å; R58-L74 VanDerWaalsContact CG-CD2 3.48Å; L74-Y106 HydrophobicContact CD1-CE1 3.66Å; L74-Y106 HydrophobicContact CD1-CE2 4.27Å; L74-Y106 VanDerWaalsContact CD1-CZ 3.49Å; L74-Y106 VanDerWaalsContact CD1-OH 3.24Å; L74-Y106 WeakPolarHBondContact CD1-OH 3.41Å; L74-Y106 HydrophobicContact CG-CE1 4.47Å
75K87.6Confident81.9Confident112 Ų11267.6 Ų67.649%0.48739%0.392SS..EExtended strand (participates in β ladder)trans-101.9116.1174.4-177.7177.2178.5178.40109.7L56 T57 Y59L56-K75 WeakPolarHBondContact CA-O 3.39Å; T57-K75 PolarHBondContact N-O 3.09Å; T57-K75 PolarHBondContact O-N 2.67Å; Y59-K75 HydrophobicContact CE1-CB 4.44Å; Y59-K75 HydrophobicContact CE2-CB 4.5Å
76L87.9Confident82.7Confident46 Ų4672.9 Ų72.924%0.24141%0.412CS..EExtended strand (participates in β ladder)trans-89.6124.3167.9179.963.4000109.8F26 L56 I93 I95F26-L76 HydrophobicContact CD1-CD1 4.1Å; F26-L76 HydrophobicContact CD1-CD2 4.07Å; F26-L76 HydrophobicContact CD2-CD2 4.28Å; F26-L76 HydrophobicContact CE1-CD1 4.3Å; F26-L76 HydrophobicContact CE1-CD2 4Å; F26-L76 HydrophobicContact CE2-CD2 4.22Å; F26-L76 HydrophobicContact CG-CD2 4.21Å; F26-L76 HydrophobicContact CZ-CD2 4.07Å; L56-L76 HydrophobicContact CD1-CB 3.85Å; L56-L76 HydrophobicContact CD1-CD1 3.99Å; L76-I93 HydrophobicContact CD2-CD1 3.84Å; L76-I93 HydrophobicContact CD2-CG2 4.24Å; L76-I95 HydrophobicContact CD1-CD1 4.08Å
77T87.9Confident83.5Confident75 Ų7572.9 Ų72.946%0.4640%0.404SS..EExtended strand (participates in β ladder)trans-116.4110.4171.5-54.70000108.6G54 V55G54-T77 CarbonylContact C-O 3.51Å; G54-T77 WeakPolarHBondContact CA-O 3.36Å; V55-T77 PolarHBondContact N-O 2.87Å; V55-T77 PolarHBondContact O-N 2.96Å
78A85.8Confident84.3Confident36 Ų3668.4 Ų68.430%0.29839%0.387SS..EExtended strand (participates in β ladder)trans-120.9147.5178.400000110.4F26 R53 V83F26-A78 HydrophobicContact CE1-CB 3.86Å; F26-A78 HydrophobicContact CZ-CB 4.12Å; R53-A78 WeakPolarHBondContact O-CB 3.48Å; A78-V83 HydrophobicContact CB-CG2 3.63Å
79L83.3Confident85.1Confident68 Ų6868.7 Ų68.736%0.35639%0.391SS..EExtended strand (participates in β ladder)trans-79.8141.9173.3-70.7176.3000110.1V11 F15 C81 E82 V83V11-L79 HydrophobicContact CB-CD1 4.47Å; V11-L79 HydrophobicContact CG1-CD1 3.54Å; F15-L79 HydrophobicContact CE2-CD1 3.87Å; F15-L79 HydrophobicContact CE2-CG 4.34Å; F15-L79 HydrophobicContact CZ-CD1 3.93Å; F15-L79 HydrophobicContact CZ-CG 4.41Å; L79-C81 PolarHBondContact O-N 3.34Å; L79-C81 VanDerWaalsContact O-N 3.11Å; L79-E82 HydrophobicContact CB-CB 4.21Å; L79-E82 HydrophobicContact CB-CG 3.86Å; L79-E82 HydrophobicContact CD1-CG 4.34Å; L79-E82 PolarHBondContact O-N 2.77Å; L79-V83 WeakPolarHBondContact O-CG2 3.3Å; L79-V83 PolarHBondContact O-N 3.28Å
80V84.2Confident85.6Confident133 Ų13374 Ų7481%0.80642%0.419SS*.EExtended strand (participates in β ladder)trans-59-28.6-179.8-177.50000112.4E82V80-E82 VanDerWaalsContact C-N 3.35Å
81C82.9Confident86.4Confident54 Ų5471 Ų7137%0.36540%0.403SS..EExtended strand (participates in β ladder)trans-79.6-15.5176.155.60000114.3Q8 L79Q8-C81 HydrophobicContact CG-CB 4.41Å; L79-C81 PolarHBondContact O-N 3.34Å; L79-C81 VanDerWaalsContact O-N 3.11Å
82E87.4Confident87.2Confident32 Ų3267.5 Ų67.515%0.1539%0.388CS..EExtended strand (participates in β ladder)trans-95.5-4.9-178-66.8-61137.100112.6G52 R53 L79 V80G52-E82 WeakPolarHBondContact CA-O 3.21Å; R53-E82 IonicContact CZ-OE2 2.61Å; R53-E82 VanDerWaalsContact CZ-OE2 3.24Å; R53-E82 PolarHBondContact N-O 2.85Å; R53-E82 IonicContact NE-OE2 2.82Å; R53-E82 PolarHBondContact NE-OE2 3.2Å; R53-E82 IonicContact NH2-OE1 3.06Å; R53-E82 IonicContact NH2-OE2 3.23Å; R53-E82 PolarHBondContact NH2-OE2 2.82Å; L79-E82 HydrophobicContact CB-CB 4.21Å; L79-E82 HydrophobicContact CB-CG 3.86Å; L79-E82 HydrophobicContact CD1-CG 4.34Å; L79-E82 PolarHBondContact O-N 2.77Å; V80-E82 VanDerWaalsContact C-N 3.35Å
83V91.7Very high87.8Confident24 Ų2465.6 Ų65.615%0.14537%0.365CS..EExtended strand (participates in β ladder)trans-115.3133.1-179.7-156.40000110.2F26 Y50 T51 A78 L79 D85 P87F26-V83 HydrophobicContact CE1-CG2 4.42Å; F26-V83 HydrophobicContact CE2-CG1 4.09Å; F26-V83 HydrophobicContact CZ-CB 4.47Å; F26-V83 HydrophobicContact CZ-CG1 3.76Å; F26-V83 HydrophobicContact CZ-CG2 3.81Å; Y50-V83 HydrophobicContact CD2-CG1 3.84Å; Y50-V83 HydrophobicContact CE2-CG1 4.28Å; T51-V83 WeakPolarHBondContact O-CA 3.48Å; A78-V83 HydrophobicContact CB-CG2 3.63Å; L79-V83 WeakPolarHBondContact O-CG2 3.3Å; L79-V83 PolarHBondContact O-N 3.28Å; V83-D85 VanDerWaalsContact C-N 3.31Å; V83-D85 WeakPolarHBondContact CG1-O 3.11Å; V83-P87 HydrophobicContact CG1-CG 4.43Å
84T91.9Very high88.2Confident103 Ų10364.6 Ų64.663%0.63236%0.359SS*.SBendtrans-75.9-19.7-179.761.60000113.4Y50 T51Y50-T84 WeakPolarHBondContact CA-OG1 3.16Å; Y50-T84 VanDerWaalsContact CB-OG1 3.26Å; Y50-T84 WeakPolarHBondContact CB-OG1 3.43Å; T51-T84 PolarHBondContact N-OG1 2.78Å; T51-T84 PolarHBondContact O-N 3.4Å; T51-T84 PolarHBondContact O-OG1 3.45Å
85D91Very high88.5Confident66 Ų6663.2 Ų63.235%0.35335%0.352SS..SBendtrans-149.1158.3173.5-159.7-0.9000110.7Y30 Y50 V83 P87Y30-D85 PolarHBondContact OH-OD2 3.14Å; Y30-D85 VanDerWaalsContact OH-OD2 3.12Å; Y50-D85 HydrophobicContact CD1-CB 4.17Å; Y50-D85 HydrophobicContact CD2-CB 4.47Å; Y50-D85 HydrophobicContact CG-CB 3.85Å; V83-D85 VanDerWaalsContact C-N 3.31Å; V83-D85 WeakPolarHBondContact CG1-O 3.11Å; D85-P87 WeakPolarHBondContact O-CD 3.33Å
86K88.6Confident88.5Confident167 Ų16764.2 Ų64.273%0.72635%0.353SS*.  trans-74.8122.3-177.1-178.3178.3174.4-178.20110.6A88K86-A88 PolarHBondContact O-N 2.82Å
87P88.6Confident88.4Confident46 Ų4662.8 Ų62.830%0.29935%0.346SS..  trans-61.1131167.5-17.830.5000110.5Y50 V83 D85 I93Y50-P87 HydrophobicContact CE2-CB 4.35Å; Y50-P87 HydrophobicContact CE2-CG 4.01Å; Y50-P87 WeakPolarHBondContact OH-CA 3.49Å; V83-P87 HydrophobicContact CG1-CG 4.43Å; D85-P87 WeakPolarHBondContact O-CD 3.33Å; P87-I93 HydrophobicContact CB-CD1 4.46Å
88A85.7Confident87.8Confident44 Ų4462.3 Ų62.336%0.36434%0.344SS..  trans-131.7170.8179.100000110.5K86 H91 A108K86-A88 PolarHBondContact O-N 2.82Å; A88-H91 PolarHBondContact N-ND1 2.86Å; A88-H91 VanDerWaalsContact O-CB 3.31Å; A88-H91 WeakPolarHBondContact O-CB 3.18Å; A88-H91 PolarHBondContact O-N 2.97Å; A88-A108 VanDerWaalsContact O-CB 3.23Å; A88-A108 WeakPolarHBondContact O-CB 3.37Å
89V85.3Confident87.5Confident59 Ų5965 Ų6536%0.35836%0.356SS..THydrogen-bonded Turntrans-56.6143.9177-178.90000110.2H91 A108 D110V89-H91 PolarHBondContact O-N 2.61Å; V89-A108 CarbonylContact C-O 3.48Å; V89-A108 WeakPolarHBondContact CA-O 3.39Å; V89-D110 HydrophobicContact CG2-CB 3.57Å
90D83.7Confident87.3Confident114 Ų11464 Ų6461%0.6136%0.355SS*.THydrogen-bonded Turntrans69.90.2-178.4-47.2-36.8000115.2A108D90-A108 PolarHBondContact N-O 2.84Å
91H93.3Very high87.2Confident24 Ų2467.7 Ų67.711%0.11136%0.355CS..  trans-71.8140.7171.3-68.8-164.3000110.4Y30 Y50 A88 V89 A108Y30-H91 AromaticContact CD1-CE1 3.64Å; Y30-H91 AromaticContact CD1-NE2 3.94Å; Y30-H91 AromaticContact CG-CE1 3.86Å; Y30-H91 AromaticContact CG-NE2 3.66Å; Y50-H91 AromaticContact CE1-ND1 3.38Å; Y50-H91 WeakPolarHBondContact CE1-ND1 3.13Å; Y50-H91 AromaticContact CZ-ND1 3.58Å; Y50-H91 WeakPolarHBondContact OH-CB 3.33Å; Y50-H91 PolarHBondContact OH-ND1 2.78Å; Y50-H91 VanDerWaalsContact OH-ND1 3.08Å; A88-H91 PolarHBondContact N-ND1 2.86Å; A88-H91 VanDerWaalsContact O-CB 3.31Å; A88-H91 WeakPolarHBondContact O-CB 3.18Å; A88-H91 PolarHBondContact O-N 2.97Å; V89-H91 PolarHBondContact O-N 2.61Å; H91-A108 HydrophobicContact CB-CB 4.46Å; H91-A108 PolarHBondContact O-N 3.44Å
92I92.3Very high87.4Confident72 Ų7271.5 Ų71.537%0.36937%0.367SS..EExtended strand (participates in β ladder)trans-91.9119.4175.1-59.1174.1000108.5G28 S29 R105 Y106G28-I92 CarbonylContact C-O 3.6Å; G28-I92 VanDerWaalsContact CA-O 3.24Å; G28-I92 WeakPolarHBondContact CA-O 3.28Å; S29-I92 PolarHBondContact N-O 2.91Å; S29-I92 PolarHBondContact O-N 3.47Å; I92-R105 HydrophobicContact CG2-CB 4.16Å; I92-R105 HydrophobicContact CG2-CG 4.35Å; I92-Y106 CarbonylContact C-O 3.59Å; I92-Y106 WeakPolarHBondContact CA-O 3.25Å
93I92.9Very high87.5Confident14 Ų1474.6 Ų74.67%0.07238%0.384CS..EExtended strand (participates in β ladder)trans-104.8120.6177.1-56.9-179.7000109.2F26 L76 P87 Y106 A108F26-I93 HydrophobicContact CB-CG2 4.03Å; F26-I93 HydrophobicContact CD2-CG2 3.91Å; F26-I93 HydrophobicContact CG-CG2 4.23Å; L76-I93 HydrophobicContact CD2-CD1 3.84Å; L76-I93 HydrophobicContact CD2-CG2 4.24Å; P87-I93 HydrophobicContact CB-CD1 4.46Å; I93-Y106 PolarHBondContact N-O 3.39Å; I93-Y106 PolarHBondContact O-N 2.87Å; I93-A108 HydrophobicContact CD1-CB 4.15Å
94E93.2Very high87.4Confident38 Ų3876.7 Ų76.718%0.17839%0.393CS..EExtended strand (participates in β ladder)trans-96.7119.6169.9-47.1-161.9150.300109.5F26 S27 L103 Q104 R105F26-E94 VanDerWaalsContact CA-O 3.31Å; F26-E94 WeakPolarHBondContact CA-O 3.46Å; S27-E94 PolarHBondContact N-O 2.89Å; S27-E94 PolarHBondContact O-N 2.73Å; E94-L103 HydrophobicContact CB-CD1 4.08Å; E94-L103 HydrophobicContact CB-CG 4.38Å; E94-Q104 WeakPolarHBondContact CA-O 3.22Å; E94-R105 HydrophobicContact CG-CG 4.11Å; E94-R105 IonicContact OE1-CZ 2.65Å; E94-R105 IonicContact OE1-NE 2.89Å; E94-R105 PolarHBondContact OE1-NE 3.46Å; E94-R105 IonicContact OE1-NH2 2.77Å; E94-R105 PolarHBondContact OE1-NH2 2.77Å
95I92.6Very high87.4Confident1 Ų180.7 Ų80.71%0.00540%0.396CS..EExtended strand (participates in β ladder)trans-148.6154178.4-166.5170.6000110.1F26 L56 L76 D97 Q104 Y106F26-I95 HydrophobicContact CB-CB 3.89Å; F26-I95 HydrophobicContact CB-CD1 3.87Å; F26-I95 HydrophobicContact CB-CG1 3.95Å; L56-I95 HydrophobicContact CB-CD1 4.28Å; L56-I95 HydrophobicContact CD1-CD1 4.12Å; L56-I95 HydrophobicContact CD1-CG2 4.29Å; L56-I95 HydrophobicContact CD2-CD1 4.3Å; L56-I95 HydrophobicContact CD2-CG2 3.76Å; L56-I95 HydrophobicContact CG-CD1 4.48Å; L76-I95 HydrophobicContact CD1-CD1 4.08Å; I95-D97 PolarHBondContact O-N 2.9Å; I95-Q104 PolarHBondContact N-O 2.84Å; I95-Q104 VanDerWaalsContact N-O 3.09Å; I95-Q104 PolarHBondContact O-N 2.85Å; I95-Y106 HydrophobicContact CG2-CD2 3.79Å; I95-Y106 HydrophobicContact CG2-CE2 3.75Å
96Y88.3Confident87.3Confident133 Ų13380 Ų8052%0.52239%0.389SS..EExtended strand (participates in β ladder)trans-66.5123.1170.5-68.3-82.1000110.4Q102 L103Y96-Q102 WeakPolarHBondContact CA-O 3.28Å; Y96-L103 HydrophobicContact CE1-CB 4.36Å
97D84.9Confident87.3Confident15 Ų1578.8 Ų78.88%0.0839%0.386CS..  trans-67.3130.6173.1167.547.3000110.2I95 V99 S100 R101 Q102 Q104 Y106I95-D97 PolarHBondContact O-N 2.9Å; D97-V99 PolarHBondContact O-N 2.81Å; D97-S100 VanDerWaalsContact CB-OG 3.3Å; D97-S100 WeakPolarHBondContact CB-OG 3.47Å; D97-S100 VanDerWaalsContact OD2-CB 3.29Å; D97-S100 WeakPolarHBondContact OD2-CB 3.39Å; D97-S100 PolarHBondContact OD2-N 2.67Å; D97-S100 PolarHBondContact OD2-OG 2.99Å; D97-R101 VanDerWaalsContact O-CA 3.29Å; D97-R101 WeakPolarHBondContact O-CA 3.5Å; D97-R101 PolarHBondContact O-N 2.98Å; D97-Q102 PolarHBondContact N-O 3.01Å; D97-Q104 HydrophobicContact CB-CG 4.15Å; D97-Y106 WeakPolarHBondContact CB-OH 3.16Å
98P77.1Confident87.1Confident66 Ų6677.5 Ų77.543%0.42938%0.379SS..THydrogen-bonded Turntrans-60.7-20.3-175.121-35.6000114.2L56L56-P98 HydrophobicContact CD2-CG 4.43Å
99V77.8Confident86.8Confident92 Ų9283.9 Ų83.956%0.55839%0.394SS*.THydrogen-bonded Turntrans-100.9-49.9-178.4177.50000112.7D97 R101D97-V99 PolarHBondContact O-N 2.81Å; V99-R101 VanDerWaalsContact C-N 3.34Å
100S80.7Confident86.2Confident48 Ų4886.7 Ų86.734%0.33641%0.407SS..THydrogen-bonded Turntrans-78.4-18.9179.360.70000113.4D97 Q102 Q104D97-S100 VanDerWaalsContact CB-OG 3.3Å; D97-S100 WeakPolarHBondContact CB-OG 3.47Å; D97-S100 VanDerWaalsContact OD2-CB 3.29Å; D97-S100 WeakPolarHBondContact OD2-CB 3.39Å; D97-S100 PolarHBondContact OD2-N 2.67Å; D97-S100 PolarHBondContact OD2-OG 2.99Å; S100-Q102 PolarHBondContact O-N 2.87Å; S100-Q102 VanDerWaalsContact O-N 3.11Å; S100-Q104 PolarHBondContact OG-NE2 3.23Å
101R81.8Confident85.3Confident210 Ų21083 Ų8379%0.79239%0.387SS*.  trans52.225-170.8-60.8-175176-176-3.7113.2D97 V99D97-R101 VanDerWaalsContact O-CA 3.29Å; D97-R101 WeakPolarHBondContact O-CA 3.5Å; D97-R101 PolarHBondContact O-N 2.98Å; V99-R101 VanDerWaalsContact C-N 3.34Å
102Q87.2Confident83.9Confident134 Ų13488.1 Ų88.163%0.62641%0.411SS*.SBendtrans-103.7146.1173.7-65-166.4-55.300109.5Y96 D97 S100 Q104Y96-Q102 WeakPolarHBondContact CA-O 3.28Å; D97-Q102 PolarHBondContact N-O 3.01Å; S100-Q102 PolarHBondContact O-N 2.87Å; S100-Q102 VanDerWaalsContact O-N 3.11Å; Q102-Q104 PolarHBondContact O-N 2.82Å
103L89.3Confident82.3Confident96 Ų9689.4 Ų89.450%0.50342%0.424SS..EExtended strand (participates in β ladder)trans-63.9120.1171.7-172.271.4000108.5E94 Y96E94-L103 HydrophobicContact CB-CD1 4.08Å; E94-L103 HydrophobicContact CB-CG 4.38Å; Y96-L103 HydrophobicContact CE1-CB 4.36Å
104Q89.5Confident81Confident69 Ų6992.1 Ų92.132%0.32244%0.444SS..EExtended strand (participates in β ladder)trans-123.8152179.1-69.8-166.128.700110.8E94 I95 D97 S100 Q102 Y106E94-Q104 WeakPolarHBondContact CA-O 3.22Å; I95-Q104 PolarHBondContact N-O 2.84Å; I95-Q104 VanDerWaalsContact N-O 3.09Å; I95-Q104 PolarHBondContact O-N 2.85Å; D97-Q104 HydrophobicContact CB-CG 4.15Å; S100-Q104 PolarHBondContact OG-NE2 3.23Å; Q102-Q104 PolarHBondContact O-N 2.82Å; Q104-Y106 HydrophobicContact CB-CD2 4.4Å; Q104-Y106 HydrophobicContact CB-CE2 3.59Å; Q104-Y106 PolarHBondContact OE1-OH 3.43Å
105R90.7Very high79.6Confident187 Ų18795.2 Ų95.271%0.70646%0.461SS*.EExtended strand (participates in β ladder)trans-98.4124.8176.6-65.9-176.2167.5-175.6-7.7109.4I92 E94I92-R105 HydrophobicContact CG2-CB 4.16Å; I92-R105 HydrophobicContact CG2-CG 4.35Å; E94-R105 HydrophobicContact CG-CG 4.11Å; E94-R105 IonicContact OE1-CZ 2.65Å; E94-R105 IonicContact OE1-NE 2.89Å; E94-R105 PolarHBondContact OE1-NE 3.46Å; E94-R105 IonicContact OE1-NH2 2.77Å; E94-R105 PolarHBondContact OE1-NH2 2.77Å
106Y90.1Very high78.1Confident50 Ų5096.1 Ų96.120%0.19646%0.464CS..EExtended strand (participates in β ladder)trans-119.5142.3175.5-61.3-83.4000109.9L74 I92 I93 I95 D97 Q104L74-Y106 HydrophobicContact CD1-CE1 3.66Å; L74-Y106 HydrophobicContact CD1-CE2 4.27Å; L74-Y106 VanDerWaalsContact CD1-CZ 3.49Å; L74-Y106 VanDerWaalsContact CD1-OH 3.24Å; L74-Y106 WeakPolarHBondContact CD1-OH 3.41Å; L74-Y106 HydrophobicContact CG-CE1 4.47Å; I92-Y106 CarbonylContact C-O 3.59Å; I92-Y106 WeakPolarHBondContact CA-O 3.25Å; I93-Y106 PolarHBondContact N-O 3.39Å; I93-Y106 PolarHBondContact O-N 2.87Å; I95-Y106 HydrophobicContact CG2-CD2 3.79Å; I95-Y106 HydrophobicContact CG2-CE2 3.75Å; D97-Y106 WeakPolarHBondContact CB-OH 3.16Å; Q104-Y106 HydrophobicContact CB-CD2 4.4Å; Q104-Y106 HydrophobicContact CB-CE2 3.59Å; Q104-Y106 PolarHBondContact OE1-OH 3.43Å
107E88.5Confident77.1Confident142 Ų14292.7 Ų92.766%0.66446%0.464SS*.EExtended strand (participates in β ladder)trans-91128.5170.6-173.2173.4-177.300108.9
108A85Confident76.4Confident20 Ų2094.4 Ų94.417%0.16549%0.485CS..  trans-76.6129.9176.200000110.1A88 V89 D90 H91 I93A88-A108 VanDerWaalsContact O-CB 3.23Å; A88-A108 WeakPolarHBondContact O-CB 3.37Å; V89-A108 CarbonylContact C-O 3.48Å; V89-A108 WeakPolarHBondContact CA-O 3.39Å; D90-A108 PolarHBondContact N-O 2.84Å; H91-A108 HydrophobicContact CB-CB 4.46Å; H91-A108 PolarHBondContact O-N 3.44Å; I93-A108 HydrophobicContact CD1-CB 4.15Å
109W79.3Confident76.3Confident178 Ų17894.4 Ų94.467%0.67448%0.48SS*.  trans-136.1147.2174.5-169.138.4000110.7I111W109-I111 HydrophobicContact CD2-CG1 4.46Å; W109-I111 HydrophobicContact CE3-CD1 4.34Å; W109-I111 HydrophobicContact CE3-CG1 4.2Å; W109-I111 HydrophobicContact CH2-CG1 4.43Å; W109-I111 HydrophobicContact CZ3-CD1 4.13Å; W109-I111 HydrophobicContact CZ3-CG1 4.19Å
110D71.8Confident76.1Confident117 Ų11794.1 Ų94.163%0.62648%0.475SS*.  trans-115121-178.5-169.411.9000109.1V89V89-D110 HydrophobicContact CG2-CB 3.57Å
111I65.8Low75.8Confident37 Ų3799.1 Ų99.119%0.1949%0.493CS..  trans-106.1119.7171.2-57.7168.9000107.4N68 I69 W109 I115 F116N68-I111 HydrophobicContact CB-CD1 4.13Å; N68-I111 VanDerWaalsContact O-CD1 3.31Å; N68-I111 WeakPolarHBondContact O-CD1 3.36Å; I69-I111 HydrophobicContact CG1-CD1 4.43Å; W109-I111 HydrophobicContact CD2-CG1 4.46Å; W109-I111 HydrophobicContact CE3-CD1 4.34Å; W109-I111 HydrophobicContact CE3-CG1 4.2Å; W109-I111 HydrophobicContact CH2-CG1 4.43Å; W109-I111 HydrophobicContact CZ3-CD1 4.13Å; W109-I111 HydrophobicContact CZ3-CG1 4.19Å; I111-I115 HydrophobicContact CG2-CB 4.48Å; I111-I115 HydrophobicContact CG2-CD1 4.18Å; I111-F116 HydrophobicContact CB-CE2 4.13Å; I111-F116 HydrophobicContact CB-CZ 4.05Å; I111-F116 HydrophobicContact CD1-CZ 4.31Å; I111-F116 HydrophobicContact CG2-CE2 3.61Å; I111-F116 HydrophobicContact CG2-CZ 3.55Å
112E64.1Low75.5Confident131 Ų13195.4 Ų95.461%0.61248%0.484SS*.  trans-60.6129.2-179.2-157.5177.7-157.200110.9S114 I115E112-S114 WeakPolarHBondContact CG-OG 3.28Å; E112-S114 PolarHBondContact O-N 3.28Å; E112-S114 PolarHBondContact OE2-OG 2.9Å; E112-I115 PolarHBondContact O-N 2.85Å; E112-I115 VanDerWaalsContact O-N 3.09Å
113P57.7Low75.1Confident100 Ų10092.5 Ų92.565%0.64947%0.473SS*.G310 helixtrans-56.2-24.9-176.2-28.834.8000115I115 F116P113-I115 PolarHBondContact O-N 3.07Å; P113-F116 PolarHBondContact O-N 3.13Å; P113-F116 VanDerWaalsContact O-N 3.16Å
114S64.5Low74.8Confident70 Ų7091.4 Ų91.449%0.4947%0.47SS..G310 helixtrans-58.1-32.6177.948.30000112.8E112 F116 A117E112-S114 WeakPolarHBondContact CG-OG 3.28Å; E112-S114 PolarHBondContact O-N 3.28Å; E112-S114 PolarHBondContact OE2-OG 2.9Å; S114-F116 PolarHBondContact O-N 2.78Å; S114-A117 WeakPolarHBondContact O-CB 3.19Å; S114-A117 PolarHBondContact O-N 3.11Å
115I65.8Low74.3Confident103 Ų10390 Ų9053%0.52847%0.474SS..G310 helixtrans-67.1-27.2-179.8-61.3174000111.1I111 E112 P113I111-I115 HydrophobicContact CG2-CB 4.48Å; I111-I115 HydrophobicContact CG2-CD1 4.18Å; E112-I115 PolarHBondContact O-N 2.85Å; E112-I115 VanDerWaalsContact O-N 3.09Å; P113-I115 PolarHBondContact O-N 3.07Å
116F59.1Low73.7Confident20 Ų2084.2 Ų84.29%0.08846%0.457CS..G310 helixtrans-84.6-6.9179-55.4-75.7000114.1I69 I111 P113 S114 G118 M119 I120I69-F116 HydrophobicContact CD1-CE1 4.3Å; I69-F116 HydrophobicContact CD1-CZ 4.49Å; I111-F116 HydrophobicContact CB-CE2 4.13Å; I111-F116 HydrophobicContact CB-CZ 4.05Å; I111-F116 HydrophobicContact CD1-CZ 4.31Å; I111-F116 HydrophobicContact CG2-CE2 3.61Å; I111-F116 HydrophobicContact CG2-CZ 3.55Å; P113-F116 PolarHBondContact O-N 3.13Å; P113-F116 VanDerWaalsContact O-N 3.16Å; S114-F116 PolarHBondContact O-N 2.78Å; F116-G118 VanDerWaalsContact C-N 3.32Å; F116-G118 PolarHBondContact O-N 2.78Å; F116-M119 HydrophobicContact CD1-SD 4.28Å; F116-M119 PolarHBondContact O-N 2.73Å; F116-M119 VanDerWaalsContact O-N 3.14Å; F116-I120 HydrophobicContact CB-CD1 3.76Å; F116-I120 HydrophobicContact CB-CG1 4.11Å; F116-I120 WeakPolarHBondContact O-CB 3.38Å; F116-I120 WeakPolarHBondContact O-CG1 3.39Å; F116-I120 PolarHBondContact O-N 3.42Å
117A68.7Low73.4Confident62 Ų6287.9 Ų87.951%0.51247%0.474SS..Hα-helixtrans-57.9-45.4-173.800000112S114 I120 E121S114-A117 WeakPolarHBondContact O-CB 3.19Å; S114-A117 PolarHBondContact O-N 3.11Å; A117-I120 PolarHBondContact O-N 3.41Å; A117-E121 PolarHBondContact O-N 3.37Å; A117-E121 VanDerWaalsContact O-N 3.12Å
118G70.7Confident73.2Confident50 Ų5083.5 Ų83.552%0.51545%0.454SS..Hα-helixtrans-65.7-40.6176.300000113.1F116 E121 E122F116-G118 VanDerWaalsContact C-N 3.32Å; F116-G118 PolarHBondContact O-N 2.78Å; G118-E121 PolarHBondContact O-N 3.25Å; G118-E122 PolarHBondContact O-N 3.38Å
119M73.7Confident72.9Confident67 Ų6790 Ų9033%0.3347%0.474SS..Hα-helixtrans-67.4-40.8177.7-67.9177.770.900112.3F116 E121 E122 D123F116-M119 HydrophobicContact CD1-SD 4.28Å; F116-M119 PolarHBondContact O-N 2.73Å; F116-M119 VanDerWaalsContact O-N 3.14Å; M119-E121 VanDerWaalsContact C-N 3.34Å; M119-E122 PolarHBondContact O-N 3.27Å; M119-D123 WeakPolarHBondContact O-CB 3.48Å; M119-D123 PolarHBondContact O-N 2.86Å
120I74Confident72.9Confident86 Ų8687 Ų8744%0.44146%0.464SS..Hα-helixtrans-64.8-41.1178.9-69.7164.9000110.1F116 A117 D123 V124F116-I120 HydrophobicContact CB-CD1 3.76Å; F116-I120 HydrophobicContact CB-CG1 4.11Å; F116-I120 WeakPolarHBondContact O-CB 3.38Å; F116-I120 WeakPolarHBondContact O-CG1 3.39Å; F116-I120 PolarHBondContact O-N 3.42Å; A117-I120 PolarHBondContact O-N 3.41Å; I120-D123 PolarHBondContact O-N 2.81Å; I120-V124 HydrophobicContact CG2-CG2 4.07Å; I120-V124 VanDerWaalsContact O-CB 3.27Å; I120-V124 WeakPolarHBondContact O-CB 3.34Å; I120-V124 WeakPolarHBondContact O-CG2 3.37Å; I120-V124 PolarHBondContact O-N 3.06Å
121E74.1Confident73.4Confident153 Ų15384.6 Ų84.672%0.71545%0.45SS*.Hα-helixtrans-62.7-43.6177.8-170.6171.2-166.500111.5A117 G118 M119 G125A117-E121 PolarHBondContact O-N 3.37Å; A117-E121 VanDerWaalsContact O-N 3.12Å; G118-E121 PolarHBondContact O-N 3.25Å; M119-E121 VanDerWaalsContact C-N 3.34Å; E121-G125 PolarHBondContact O-N 3.5Å
122E76.5Confident74.1Confident132 Ų13284 Ų8462%0.61745%0.451SS*.Hα-helixtrans-63-48.6174.8-173177-176.500112G118 M119 V124 G125 L126G118-E122 PolarHBondContact O-N 3.38Å; M119-E122 PolarHBondContact O-N 3.27Å; E122-V124 PolarHBondContact O-N 3.05Å; E122-G125 PolarHBondContact O-N 2.93Å; E122-G125 VanDerWaalsContact O-N 3.16Å; E122-L126 HydrophobicContact CG-CD1 4.27Å; E122-L126 WeakPolarHBondContact O-CG 3.26Å; E122-L126 PolarHBondContact O-N 2.95Å
123D77.5Confident74.9Confident73 Ų7382.5 Ų82.539%0.3945%0.445SS..Hα-helixtrans-62.8-39.9179.4-92.1-8.5000112.4M119 I120 G125 L126 K127M119-D123 WeakPolarHBondContact O-CB 3.48Å; M119-D123 PolarHBondContact O-N 2.86Å; I120-D123 PolarHBondContact O-N 2.81Å; D123-G125 VanDerWaalsContact C-N 3.34Å; D123-L126 PolarHBondContact O-N 2.94Å; D123-K127 VanDerWaalsContact O-CB 3.31Å; D123-K127 WeakPolarHBondContact O-CB 3.26Å; D123-K127 PolarHBondContact O-N 2.76Å
124V83.9Confident76Confident72 Ų7282.9 Ų82.944%0.43644%0.438SS..Hα-helixtrans-63.4-43.9174.8169.10000109.6I120 E122 L126 K127 I128I120-V124 HydrophobicContact CG2-CG2 4.07Å; I120-V124 VanDerWaalsContact O-CB 3.27Å; I120-V124 WeakPolarHBondContact O-CB 3.34Å; I120-V124 WeakPolarHBondContact O-CG2 3.37Å; I120-V124 PolarHBondContact O-N 3.06Å; E122-V124 PolarHBondContact O-N 3.05Å; V124-L126 PolarHBondContact O-N 3.35Å; V124-K127 PolarHBondContact O-N 2.88Å; V124-I128 HydrophobicContact CG1-CD1 3.8Å; V124-I128 HydrophobicContact CG1-CG1 4.42Å; V124-I128 VanDerWaalsContact O-CG1 3.27Å; V124-I128 WeakPolarHBondContact O-CG1 3.25Å; V124-I128 PolarHBondContact O-N 2.98Å
125G79.3Confident77Confident39 Ų3982.6 Ų82.640%0.40243%0.43SS..Hα-helixtrans-58.8-46.2174.100000112.7E121 E122 D123 K127 I128 R129E121-G125 PolarHBondContact O-N 3.5Å; E122-G125 PolarHBondContact O-N 2.93Å; E122-G125 VanDerWaalsContact O-N 3.16Å; D123-G125 VanDerWaalsContact C-N 3.34Å; G125-K127 VanDerWaalsContact C-N 3.34Å; G125-K127 PolarHBondContact O-N 2.96Å; G125-I128 PolarHBondContact O-N 3.3Å; G125-R129 PolarHBondContact O-N 2.76Å
126L77.5Confident77.7Confident66 Ų6680 Ų8035%0.34642%0.418SS..Hα-helixtrans-62.8-40176.1-71.7172.7000112.1E122 D123 V124 R129 Y130E122-L126 HydrophobicContact CG-CD1 4.27Å; E122-L126 WeakPolarHBondContact O-CG 3.26Å; E122-L126 PolarHBondContact O-N 2.95Å; D123-L126 PolarHBondContact O-N 2.94Å; V124-L126 PolarHBondContact O-N 3.35Å; L126-R129 VanDerWaalsContact CD2-NH2 3.32Å; L126-R129 PolarHBondContact O-N 2.89Å; L126-Y130 WeakPolarHBondContact O-CB 3.33Å; L126-Y130 PolarHBondContact O-N 2.92Å
127K83.5Confident78.7Confident128 Ų12882.5 Ų82.556%0.55743%0.434SS*.Hα-helixtrans-68.9-42.1179.2-165.668.1175.5-178.30111.8D123 V124 G125 R129 Y130 I131D123-K127 VanDerWaalsContact O-CB 3.31Å; D123-K127 WeakPolarHBondContact O-CB 3.26Å; D123-K127 PolarHBondContact O-N 2.76Å; V124-K127 PolarHBondContact O-N 2.88Å; G125-K127 VanDerWaalsContact C-N 3.34Å; G125-K127 PolarHBondContact O-N 2.96Å; K127-R129 VanDerWaalsContact C-N 3.31Å; K127-R129 PolarHBondContact O-N 3.07Å; K127-Y130 PolarHBondContact O-N 2.75Å; K127-I131 HydrophobicContact CG-CD1 4.2Å; K127-I131 VanDerWaalsContact O-CG1 3.28Å; K127-I131 WeakPolarHBondContact O-CG1 3.38Å; K127-I131 PolarHBondContact O-N 3.5Å
128I83.8Confident79.2Confident49 Ų4982.3 Ų82.325%0.25143%0.433SS..Hα-helixtrans-58.8-45.6173.5-70.1167000109.8V124 G125 Y130 I131 A132 L158V124-I128 HydrophobicContact CG1-CD1 3.8Å; V124-I128 HydrophobicContact CG1-CG1 4.42Å; V124-I128 VanDerWaalsContact O-CG1 3.27Å; V124-I128 WeakPolarHBondContact O-CG1 3.25Å; V124-I128 PolarHBondContact O-N 2.98Å; G125-I128 PolarHBondContact O-N 3.3Å; I128-Y130 PolarHBondContact O-N 2.77Å; I128-I131 PolarHBondContact O-N 2.96Å; I128-A132 WeakPolarHBondContact O-CB 3.47Å; I128-A132 PolarHBondContact O-N 2.94Å; I128-L158 HydrophobicContact CG2-CB 4.31Å; I128-L158 HydrophobicContact CG2-CD1 4.11Å
129R78.9Confident79.7Confident156 Ų15682.6 Ų82.659%0.58942%0.422SS*.Hα-helixtrans-60.2-44.9176.5-171.2179.773.9-163.92.6112.1G125 L126 K127 A132 M133G125-R129 PolarHBondContact O-N 2.76Å; L126-R129 VanDerWaalsContact CD2-NH2 3.32Å; L126-R129 PolarHBondContact O-N 2.89Å; K127-R129 VanDerWaalsContact C-N 3.31Å; K127-R129 PolarHBondContact O-N 3.07Å; R129-A132 PolarHBondContact O-N 2.72Å; R129-M133 WeakPolarHBondContact O-CG 3.4Å; R129-M133 PolarHBondContact O-N 2.82Å
130Y81Confident80Confident116 Ų11680.6 Ų80.646%0.45541%0.413SS..Hα-helixtrans-62-44.1178.4-175.3-96.3000112L126 K127 I128 M133 Q134L126-Y130 WeakPolarHBondContact O-CB 3.33Å; L126-Y130 PolarHBondContact O-N 2.92Å; K127-Y130 PolarHBondContact O-N 2.75Å; I128-Y130 PolarHBondContact O-N 2.77Å; Y130-M133 PolarHBondContact O-N 2.91Å; Y130-Q134 HydrophobicContact CD1-CG 4.19Å; Y130-Q134 HydrophobicContact CE1-CG 3.78Å; Y130-Q134 WeakPolarHBondContact O-CG 3.45Å; Y130-Q134 PolarHBondContact O-N 2.9Å; Y130-Q134 PolarHBondContact OH-NE2 2.92Å
131I81Confident80.2Confident67 Ų6783.2 Ų83.234%0.34443%0.426SS..Hα-helixtrans-63-46177-65.7166.1000110.4K127 I128 M133 Q134 I135 L158K127-I131 HydrophobicContact CG-CD1 4.2Å; K127-I131 VanDerWaalsContact O-CG1 3.28Å; K127-I131 WeakPolarHBondContact O-CG1 3.38Å; K127-I131 PolarHBondContact O-N 3.5Å; I128-I131 PolarHBondContact O-N 2.96Å; I131-M133 VanDerWaalsContact C-N 3.32Å; I131-M133 PolarHBondContact O-N 2.87Å; I131-Q134 PolarHBondContact O-N 3.43Å; I131-I135 HydrophobicContact CG2-CD1 3.82Å; I131-I135 HydrophobicContact CG2-CG1 4.4Å; I131-I135 WeakPolarHBondContact O-CG1 3.49Å; I131-I135 PolarHBondContact O-N 2.91Å; I131-L158 HydrophobicContact CB-CD1 3.94Å; I131-L158 HydrophobicContact CG2-CD1 3.68Å
132A81Confident80.5Confident24 Ų2479.8 Ų79.820%0.19842%0.424CS..Hα-helixtrans-58.9-42.9177.600000111.8I128 R129 I135 L136 L158I128-A132 WeakPolarHBondContact O-CB 3.47Å; I128-A132 PolarHBondContact O-N 2.94Å; R129-A132 PolarHBondContact O-N 2.72Å; A132-I135 PolarHBondContact O-N 3.06Å; A132-L136 WeakPolarHBondContact O-CB 3.42Å; A132-L136 PolarHBondContact O-N 2.89Å; A132-L158 HydrophobicContact CB-CD1 4.11Å
133M80Confident80.5Confident100 Ų10074.4 Ų74.449%0.49340%0.402SS..Hα-helixtrans-65.4-40.3175.5-72.2-160.3-52.200112.8R129 Y130 I131 L136 T137R129-M133 WeakPolarHBondContact O-CG 3.4Å; R129-M133 PolarHBondContact O-N 2.82Å; Y130-M133 PolarHBondContact O-N 2.91Å; I131-M133 VanDerWaalsContact C-N 3.32Å; I131-M133 PolarHBondContact O-N 2.87Å; M133-L136 PolarHBondContact O-N 2.78Å; M133-T137 WeakPolarHBondContact O-CB 3.46Å; M133-T137 PolarHBondContact O-N 2.89Å; M133-T137 PolarHBondContact O-OG1 2.85Å
134Q81.3Confident80.6Confident108 Ų10876.9 Ų76.951%0.50542%0.422SS..Hα-helixtrans-64.6-41.7176.9-76.7-155.3-38.200112Y130 I131 T137 A138Y130-Q134 HydrophobicContact CD1-CG 4.19Å; Y130-Q134 HydrophobicContact CE1-CG 3.78Å; Y130-Q134 WeakPolarHBondContact O-CG 3.45Å; Y130-Q134 PolarHBondContact O-N 2.9Å; Y130-Q134 PolarHBondContact OH-NE2 2.92Å; I131-Q134 PolarHBondContact O-N 3.43Å; Q134-T137 PolarHBondContact O-N 2.84Å; Q134-A138 WeakPolarHBondContact O-CB 3.43Å; Q134-A138 PolarHBondContact O-N 3.25Å
135I85Confident80.2Confident64 Ų6477 Ų7733%0.32842%0.423SS..Hα-helixtrans-63.7-46.5175.9-66.2168.6000110.3I131 A132 T137 A138 I139 V156 L158I131-I135 HydrophobicContact CG2-CD1 3.82Å; I131-I135 HydrophobicContact CG2-CG1 4.4Å; I131-I135 WeakPolarHBondContact O-CG1 3.49Å; I131-I135 PolarHBondContact O-N 2.91Å; A132-I135 PolarHBondContact O-N 3.06Å; I135-T137 VanDerWaalsContact C-N 3.29Å; I135-T137 PolarHBondContact O-N 3.27Å; I135-A138 PolarHBondContact O-N 3.13Å; I135-I139 HydrophobicContact CG2-CD1 3.82Å; I135-I139 HydrophobicContact CG2-CG1 4.44Å; I135-I139 WeakPolarHBondContact O-CG1 3.44Å; I135-I139 PolarHBondContact O-N 3.27Å; I135-V156 HydrophobicContact CB-CG1 3.93Å; I135-V156 HydrophobicContact CD1-CG1 4.24Å; I135-V156 HydrophobicContact CG2-CB 4.45Å; I135-V156 HydrophobicContact CG2-CG1 3.65Å; I135-V156 HydrophobicContact CG2-CG2 3.88Å; I135-L158 HydrophobicContact CD1-CD2 4.05Å
136L80.8Confident79.4Confident49 Ų4982.5 Ų82.526%0.25744%0.443SS..Hα-helixtrans-61.1-39.5177.8-175.564.4000111.9A132 M133 I139 D140 N154 V156A132-L136 WeakPolarHBondContact O-CB 3.42Å; A132-L136 PolarHBondContact O-N 2.89Å; M133-L136 PolarHBondContact O-N 2.78Å; L136-I139 PolarHBondContact O-N 2.86Å; L136-D140 WeakPolarHBondContact O-CB 3.42Å; L136-D140 PolarHBondContact O-N 2.64Å; L136-N154 HydrophobicContact CD1-CB 4.11Å; L136-V156 HydrophobicContact CB-CG2 4.21Å; L136-V156 HydrophobicContact CD1-CG2 4.23Å
137T80.6Confident78.7Confident71 Ų7182.8 Ų82.844%0.43645%0.447SS..Hα-helixtrans-67-40.2176.3-54.70000111.5M133 Q134 I135 D140 I141M133-T137 WeakPolarHBondContact O-CB 3.46Å; M133-T137 PolarHBondContact O-N 2.89Å; M133-T137 PolarHBondContact O-OG1 2.85Å; Q134-T137 PolarHBondContact O-N 2.84Å; I135-T137 VanDerWaalsContact C-N 3.29Å; I135-T137 PolarHBondContact O-N 3.27Å; T137-D140 PolarHBondContact O-N 3.14Å; T137-I141 HydrophobicContact CG2-CD1 3.96Å; T137-I141 WeakPolarHBondContact O-CG1 3.43Å; T137-I141 PolarHBondContact O-N 3.28Å
138A79Confident78Confident59 Ų5979.5 Ų79.549%0.48845%0.45SS..Hα-helixtrans-65.4-39.7176.100000112.2Q134 I135 D140 I141 A142Q134-A138 WeakPolarHBondContact O-CB 3.43Å; Q134-A138 PolarHBondContact O-N 3.25Å; I135-A138 PolarHBondContact O-N 3.13Å; A138-D140 VanDerWaalsContact C-N 3.31Å; A138-D140 PolarHBondContact O-N 3.36Å; A138-I141 PolarHBondContact O-N 3.4Å; A138-A142 WeakPolarHBondContact O-CB 3.47Å; A138-A142 PolarHBondContact O-N 2.97Å; A138-A142 VanDerWaalsContact O-N 3.07Å
139I82Confident77.2Confident56 Ų5687.3 Ų87.329%0.28748%0.476SS..Hα-helixtrans-61.2-42.5174.6-71.8166.5000110.7I135 L136 A142 A143 F150 N154 V156I135-I139 HydrophobicContact CG2-CD1 3.82Å; I135-I139 HydrophobicContact CG2-CG1 4.44Å; I135-I139 WeakPolarHBondContact O-CG1 3.44Å; I135-I139 PolarHBondContact O-N 3.27Å; L136-I139 PolarHBondContact O-N 2.86Å; I139-A142 PolarHBondContact O-N 3.48Å; I139-A143 PolarHBondContact O-N 2.71Å; I139-F150 HydrophobicContact CG2-CE1 3.75Å; I139-F150 HydrophobicContact CG2-CZ 4.25Å; I139-N154 HydrophobicContact CG2-CB 4.33Å; I139-V156 HydrophobicContact CD1-CG2 3.72Å
140D79.7Confident76.7Confident25 Ų2582.5 Ų82.513%0.13446%0.46CS..Hα-helixtrans-66.3-44.7178.7-169.844.4000112.9L136 T137 A138 A142 A143 R151L136-D140 WeakPolarHBondContact O-CB 3.42Å; L136-D140 PolarHBondContact O-N 2.64Å; T137-D140 PolarHBondContact O-N 3.14Å; A138-D140 VanDerWaalsContact C-N 3.31Å; A138-D140 PolarHBondContact O-N 3.36Å; D140-A142 VanDerWaalsContact C-N 3.25Å; D140-A142 PolarHBondContact O-N 3.29Å; D140-A143 WeakPolarHBondContact O-CB 3.44Å; D140-A143 PolarHBondContact O-N 2.67Å; D140-R151 HydrophobicContact CB-CG 3.87Å; D140-R151 WeakPolarHBondContact OD1-CG 3.19Å; D140-R151 VanDerWaalsContact OD2-CD 3.28Å; D140-R151 WeakPolarHBondContact OD2-CD 3.49Å; D140-R151 WeakPolarHBondContact OD2-CG 3.35Å; D140-R151 IonicContact OD2-CZ 3.27Å; D140-R151 IonicContact OD2-NE 3.63Å; D140-R151 IonicContact OD2-NH1 3.83Å; D140-R151 PolarHBondContact OD2-NH1 2.95Å
141I77.7Confident76.2Confident140 Ų14082.6 Ų82.672%0.71846%0.459SS*.Hα-helixtrans-63.9-33.2177.2-67.6167.7000111.4T137 A138 A143T137-I141 HydrophobicContact CG2-CD1 3.96Å; T137-I141 WeakPolarHBondContact O-CG1 3.43Å; T137-I141 PolarHBondContact O-N 3.28Å; A138-I141 PolarHBondContact O-N 3.4Å; I141-A143 VanDerWaalsContact C-N 3.27Å; I141-A143 PolarHBondContact O-N 2.85Å
142A79.7Confident75.6Confident82 Ų8283.2 Ų83.268%0.67846%0.463SS*.THydrogen-bonded Turntrans-79.8-5.7176.100000113.6A138 I139 D140A138-A142 WeakPolarHBondContact O-CB 3.47Å; A138-A142 PolarHBondContact O-N 2.97Å; A138-A142 VanDerWaalsContact O-N 3.07Å; I139-A142 PolarHBondContact O-N 3.48Å; D140-A142 VanDerWaalsContact C-N 3.25Å; D140-A142 PolarHBondContact O-N 3.29Å
143A77.9Confident75Confident19 Ų1988.5 Ų88.516%0.15749%0.488CS..  trans-69.9139.2-175.400000111.7I139 D140 I141 V145 F150I139-A143 PolarHBondContact O-N 2.71Å; D140-A143 WeakPolarHBondContact O-CB 3.44Å; D140-A143 PolarHBondContact O-N 2.67Å; I141-A143 VanDerWaalsContact C-N 3.27Å; I141-A143 PolarHBondContact O-N 2.85Å; A143-V145 PolarHBondContact O-N 2.92Å; A143-F150 HydrophobicContact CB-CD1 3.34Å; A143-F150 HydrophobicContact CB-CD2 4.27Å; A143-F150 HydrophobicContact CB-CE1 3.21Å; A143-F150 HydrophobicContact CB-CE2 4.17Å; A143-F150 HydrophobicContact CB-CG 3.89Å; A143-F150 HydrophobicContact CB-CZ 3.66Å
144P79.4Confident74.7Confident125 Ų12586 Ų8681%0.81248%0.477SS*.SBendtrans-71.2-7.7174.730.3-35.4000113.2
145V75.4Confident74.4Confident73 Ų7385.9 Ų85.944%0.44248%0.479SS..SBendtrans-135.7114.6-176.2-70.60000110.3A143 T147 F150A143-V145 PolarHBondContact O-N 2.92Å; V145-T147 VanDerWaalsContact C-N 3.26Å; V145-T147 PolarHBondContact O-N 3.41Å; V145-F150 HydrophobicContact CG2-CB 4.33Å; V145-F150 HydrophobicContact CG2-CD2 4.12Å; V145-F150 HydrophobicContact CG2-CG 4.46Å
146D62.7Low74.1Confident155 Ų15584.8 Ų84.883%0.82948%0.476SS*.  trans-81.667.6177.9-174.512.9000110.9
147T62Low73.9Confident72 Ų7285 Ų8544%0.44248%0.481SS..  trans-126.9136.2176.862.50000110.1V145 R149 F150V145-T147 VanDerWaalsContact C-N 3.26Å; V145-T147 PolarHBondContact O-N 3.41Å; T147-R149 PolarHBondContact O-N 2.84Å; T147-F150 WeakPolarHBondContact O-CB 3.32Å; T147-F150 PolarHBondContact O-N 3.29Å
148G68.2Low73.8Confident59 Ų5984.6 Ų84.661%0.60848%0.476SS*.Hα-helixtrans-53.3-19.9174.600000113.9N152G148-N152 PolarHBondContact O-N 2.98Å; G148-N152 VanDerWaalsContact O-N 3.12Å
149R67Low73.7Confident214 Ų21489.2 Ų89.281%0.80849%0.487SS*.Hα-helixtrans-63.1-36.2171-172.2177.4179.4-173.10113.4T147 N152 N153T147-R149 PolarHBondContact O-N 2.84Å; R149-N152 PolarHBondContact O-N 3.04Å; R149-N153 PolarHBondContact O-N 2.89Å
150F69.9Low73.4Confident55 Ų5593.8 Ų93.824%0.24151%0.507CS..Hα-helixtrans-67.4-47.2177.6-175.4-95.5000110.9I139 A143 V145 T147 N152 N153 N154I139-F150 HydrophobicContact CG2-CE1 3.75Å; I139-F150 HydrophobicContact CG2-CZ 4.25Å; A143-F150 HydrophobicContact CB-CD1 3.34Å; A143-F150 HydrophobicContact CB-CD2 4.27Å; A143-F150 HydrophobicContact CB-CE1 3.21Å; A143-F150 HydrophobicContact CB-CE2 4.17Å; A143-F150 HydrophobicContact CB-CG 3.89Å; A143-F150 HydrophobicContact CB-CZ 3.66Å; V145-F150 HydrophobicContact CG2-CB 4.33Å; V145-F150 HydrophobicContact CG2-CD2 4.12Å; V145-F150 HydrophobicContact CG2-CG 4.46Å; T147-F150 WeakPolarHBondContact O-CB 3.32Å; T147-F150 PolarHBondContact O-N 3.29Å; F150-N152 VanDerWaalsContact C-N 3.28Å; F150-N152 PolarHBondContact O-N 3.28Å; F150-N153 PolarHBondContact O-N 2.89Å; F150-N154 WeakPolarHBondContact CD1-ND2 3.31Å; F150-N154 WeakPolarHBondContact CE1-ND2 3.38Å; F150-N154 WeakPolarHBondContact CZ-ND2 3.29Å; F150-N154 PolarHBondContact O-N 3.39Å; F150-N154 PolarHBondContact O-ND2 3.36Å
151R70.2Confident73Confident118 Ų11897 Ų9745%0.44553%0.529SS..Hα-helixtrans-53.6-44.5172.1-77.7-106-70.1-87.71.3112.7D140 N153 N154D140-R151 HydrophobicContact CB-CG 3.87Å; D140-R151 WeakPolarHBondContact OD1-CG 3.19Å; D140-R151 VanDerWaalsContact OD2-CD 3.28Å; D140-R151 WeakPolarHBondContact OD2-CD 3.49Å; D140-R151 WeakPolarHBondContact OD2-CG 3.35Å; D140-R151 IonicContact OD2-CZ 3.27Å; D140-R151 IonicContact OD2-NE 3.63Å; D140-R151 IonicContact OD2-NH1 3.83Å; D140-R151 PolarHBondContact OD2-NH1 2.95Å; R151-N153 VanDerWaalsContact C-N 3.28Å; R151-N153 PolarHBondContact O-N 3.34Å; R151-N154 PolarHBondContact O-N 3.38Å
152N67.6Low72.8Confident79 Ų7995.3 Ų95.342%0.42252%0.522SS..Hα-helixtrans-71.7-19.3-175.6-123.6-3.4000114.4G148 R149 F150 D170G148-N152 PolarHBondContact O-N 2.98Å; G148-N152 VanDerWaalsContact O-N 3.12Å; R149-N152 PolarHBondContact O-N 3.04Å; F150-N152 VanDerWaalsContact C-N 3.28Å; F150-N152 PolarHBondContact O-N 3.28Å; N152-D170 PolarHBondContact ND2-N 3.49Å; N152-D170 PolarHBondContact ND2-O 3.15Å
153N69.4Low72.2Confident135 Ų135100.3 Ų100.372%0.72253%0.529SS*.Hα-helixtrans-95.3-5.1179.1-163.858.6000113.5R149 F150 R151R149-N153 PolarHBondContact O-N 2.89Å; F150-N153 PolarHBondContact O-N 2.89Å; R151-N153 VanDerWaalsContact C-N 3.28Å; R151-N153 PolarHBondContact O-N 3.34Å
154N73.1Confident71.5Confident48 Ų48101.1 Ų101.126%0.25754%0.539SS..  trans-101.7120-179.9-74.8-62.3000110.2L136 I139 F150 R151L136-N154 HydrophobicContact CD1-CB 4.11Å; I139-N154 HydrophobicContact CG2-CB 4.33Å; F150-N154 WeakPolarHBondContact CD1-ND2 3.31Å; F150-N154 WeakPolarHBondContact CE1-ND2 3.38Å; F150-N154 WeakPolarHBondContact CZ-ND2 3.29Å; F150-N154 PolarHBondContact O-N 3.39Å; F150-N154 PolarHBondContact O-ND2 3.36Å; R151-N154 PolarHBondContact O-N 3.38Å
155L75.1Confident70.6Confident105 Ų105102.6 Ų102.655%0.5554%0.538SS..  trans-103.2128.9174.2-63.9171.2000109.2G164L155-G164 WeakPolarHBondContact CD1-O 3.27Å
156V78.2Confident69.8Low42 Ų42102.3 Ų102.326%0.25554%0.539SS..  trans-115.8108.4175.3178.50000107.9I135 L136 I139I135-V156 HydrophobicContact CB-CG1 3.93Å; I135-V156 HydrophobicContact CD1-CG1 4.24Å; I135-V156 HydrophobicContact CG2-CB 4.45Å; I135-V156 HydrophobicContact CG2-CG1 3.65Å; I135-V156 HydrophobicContact CG2-CG2 3.88Å; L136-V156 HydrophobicContact CB-CG2 4.21Å; L136-V156 HydrophobicContact CD1-CG2 4.23Å; I139-V156 HydrophobicContact CD1-CG2 3.72Å
157S77.2Confident69.6Low52 Ų52102.2 Ų102.236%0.36454%0.539SS..  trans-105146.3172.679.10000110.8H160 D162S157-H160 WeakPolarHBondContact CB-O 3.26Å; S157-H160 PolarHBondContact OG-O 3.19Å; S157-D162 PolarHBondContact OG-N 2.79Å; S157-D162 VanDerWaalsContact OG-N 3.09Å
158L78Confident69.3Low63 Ų63104.6 Ų104.633%0.3355%0.549SS..  trans-122.5152.8174.5-66.5172.3000108.7I128 I131 A132 I135 H160I128-L158 HydrophobicContact CG2-CB 4.31Å; I128-L158 HydrophobicContact CG2-CD1 4.11Å; I131-L158 HydrophobicContact CB-CD1 3.94Å; I131-L158 HydrophobicContact CG2-CD1 3.68Å; A132-L158 HydrophobicContact CB-CD1 4.11Å; I135-L158 HydrophobicContact CD1-CD2 4.05Å; L158-H160 PolarHBondContact O-N 3.4Å
159Q76.8Confident68.8Low156 Ų156105.6 Ų105.673%0.72954%0.543SS*.SBendtrans70.3-47.2-176.6-54.3178.4-37.400115.5
160H75.7Confident68.3Low152 Ų15297.6 Ų97.670%0.70452%0.516SS*.SBendtrans-129.6140.2175.5-71-80.4000111.3S157 L158 D162S157-H160 WeakPolarHBondContact CB-O 3.26Å; S157-H160 PolarHBondContact OG-O 3.19Å; L158-H160 PolarHBondContact O-N 3.4Å; H160-D162 PolarHBondContact O-N 3.24Å
161P72.9Confident67.6Low93 Ų93100 Ų10060%0.60454%0.538SS*.  trans-67.6123175.527.7-32.5000109.9F163P161-F163 HydrophobicContact CB-CD2 4.46Å; P161-F163 HydrophobicContact CB-CE2 3.74Å; P161-F163 HydrophobicContact CB-CZ 3.9Å; P161-F163 HydrophobicContact CG-CE2 4.17Å
162D72.6Confident66.9Low105 Ų105100.4 Ų100.456%0.56155%0.548SS*.  trans-104117.5171.4-1733.6000109S157 H160 G164S157-D162 PolarHBondContact OG-N 2.79Å; S157-D162 VanDerWaalsContact OG-N 3.09Å; H160-D162 PolarHBondContact O-N 3.24Å; D162-G164 PolarHBondContact OD1-N 3.31Å
163F67.1Low66.1Low187 Ų18799.7 Ų99.782%0.8256%0.56SS**  trans-106.511.1177.6-60.3-73.2000112.3P161 I165P161-F163 HydrophobicContact CB-CD2 4.46Å; P161-F163 HydrophobicContact CB-CE2 3.74Å; P161-F163 HydrophobicContact CB-CZ 3.9Å; P161-F163 HydrophobicContact CG-CE2 4.17Å; F163-I165 PolarHBondContact O-N 3.1Å
164G64Low65.4Low36 Ų36101.2 Ų101.237%0.37157%0.567SS.*PPolyproline II helixtrans-64.3132179.700000112L155 D162L155-G164 WeakPolarHBondContact CD1-O 3.27Å; D162-G164 PolarHBondContact OD1-N 3.31Å
165I60.8Low64.1Low155 Ų155105.6 Ų105.680%0.79559%0.586SS**PPolyproline II helixtrans-76.8122.5160.451.3168.4000107.4F163 D167F163-I165 PolarHBondContact O-N 3.1Å; I165-D167 PolarHBondContact O-N 3.31Å
166S58.1Low63.1Low67 Ų67106.9 Ų106.947%0.46959%0.591SS.*PPolyproline II helixtrans-81.3118.5176.5177.20000109.6N168 V169S166-N168 PolarHBondContact O-N 3.18Å; S166-N168 PolarHBondContact OG-N 3.24Å; S166-V169 WeakPolarHBondContact O-CG2 3.4Å
167D57.5Low61.9Low154 Ų154108.7 Ų108.782%0.82460%0.596SS**THydrogen-bonded Turntrans-70.4-3.4172-67.1-22.2000112.7I165 V169I165-D167 PolarHBondContact O-N 3.31Å; D167-V169 PolarHBondContact O-N 2.9Å
168N56.4Low61.1Low122 Ų122115 Ų11565%0.65262%0.617SS**THydrogen-bonded Turntrans-93.719.5-172.5-104.4-10000114.6S166 D170 K177S166-N168 PolarHBondContact O-N 3.18Å; S166-N168 PolarHBondContact OG-N 3.24Å; N168-D170 PolarHBondContact O-N 3.45Å; N168-K177 PolarHBondContact O-NZ 2.82Å; N168-K177 VanDerWaalsContact O-NZ 3.17Å
169V57.3Low60.8Low80 Ų80116.2 Ų116.249%0.48563%0.627SS.*  trans-52.5123.4177.3-1750000110.7S166 D167 P171S166-V169 WeakPolarHBondContact O-CG2 3.4Å; D167-V169 PolarHBondContact O-N 2.9Å; V169-P171 WeakPolarHBondContact O-CD 3.5Å
170D56.1Low60.3Low45 Ų45114.3 Ų114.324%0.24162%0.618CS.*  trans-9399.3166.617314.1000108.8N152 N168 N172 G173N152-D170 PolarHBondContact ND2-N 3.49Å; N152-D170 PolarHBondContact ND2-O 3.15Å; N168-D170 PolarHBondContact O-N 3.45Å; D170-N172 VanDerWaalsContact C-N 3.26Å; D170-N172 PolarHBondContact O-N 3.39Å; D170-N172 PolarHBondContact OD1-N 2.86Å; D170-G173 PolarHBondContact OD1-N 3.43Å; D170-G173 PolarHBondContact OD2-N 3.43Å
171P55.4Low60.3Low107 Ų107110.5 Ų110.570%0.69560%0.602SS**SBendtrans-71.8-12.4-174.225.1-32.2000114.6V169V169-P171 WeakPolarHBondContact O-CD 3.5Å
172N55.8Low60.6Low125 Ų125114 Ų11467%0.66860%0.603SS**SBendtrans-124.6-0.8-170.8-72.3-25.3000116.2D170 L174D170-N172 VanDerWaalsContact C-N 3.26Å; D170-N172 PolarHBondContact O-N 3.39Å; D170-N172 PolarHBondContact OD1-N 2.86Å; N172-L174 PolarHBondContact O-N 2.84Å
173G51.8Low60.5Low65 Ų65113.4 Ų113.467%0.6760%0.6SS**SBendtrans58.210.1160.900000117.3D170D170-G173 PolarHBondContact OD1-N 3.43Å; D170-G173 PolarHBondContact OD2-N 3.43Å
174L54.3Low60.9Low167 Ų167108.2 Ų108.287%0.87458%0.584SS**  trans-124.76.6-174.6-93144.5000112.4N172N172-L174 PolarHBondContact O-N 2.84Å
175Q46.1Very low61.7Low139 Ų139110 Ų11065%0.6559%0.587SS**  trans-128103.6177-61.1-174.61500108.3K177Q175-K177 PolarHBondContact O-N 3.39Å
176M53.5Low62.4Low133 Ų133106.1 Ų106.166%0.65557%0.567SS**  trans-50.2119150.6-76.6-176.5-172.500105.5F178 I181M176-F178 PolarHBondContact O-N 3.47Å; M176-I181 HydrophobicContact CB-CD1 3.82Å; M176-I181 HydrophobicContact CB-CG1 3.38Å; M176-I181 HydrophobicContact CG-CG1 4.35Å; M176-I181 WeakPolarHBondContact O-CD1 3.42Å; M176-I181 HydrophobicContact SD-CG1 4.06Å
177K53.7Low63.2Low80 Ų80106.6 Ų106.635%0.34857%0.57SS.*  trans-57.5141.7-178-67.8-169.3-178.7177.50107.5N168 Q175 T179 E180 I181N168-K177 PolarHBondContact O-NZ 2.82Å; N168-K177 VanDerWaalsContact O-NZ 3.17Å; Q175-K177 PolarHBondContact O-N 3.39Å; K177-T179 CarbonylContact O-C 3.51Å; K177-T179 PolarHBondContact O-N 3.36Å; K177-E180 PolarHBondContact O-N 3.06Å; K177-I181 PolarHBondContact O-N 3.38Å; K177-I181 VanDerWaalsContact O-N 3.12Å
178F60Low63.9Low183 Ų183108.5 Ų108.580%0.80357%0.566SS**Hα-helixtrans-47.4-29.4179.9-96.6-85.7000112.7M176 R182M176-F178 PolarHBondContact O-N 3.47Å; F178-R182 WeakPolarHBondContact O-CB 3Å; F178-R182 PolarHBondContact O-N 3.38Å
179T71.5Confident64.7Low89 Ų89109 Ų10955%0.54657%0.566SS.*Hα-helixtrans-66.4-42.4173.5-51.40000114.2K177 R182 N183K177-T179 CarbonylContact O-C 3.51Å; K177-T179 PolarHBondContact O-N 3.36Å; T179-R182 WeakPolarHBondContact O-CB 3.46Å; T179-R182 PolarHBondContact O-N 3.12Å; T179-N183 WeakPolarHBondContact O-CB 3.38Å; T179-N183 PolarHBondContact O-N 3.4Å; T179-N183 PolarHBondContact O-ND2 2.89Å; T179-N183 PolarHBondContact O-OD1 3.25Å
180E66.3Low65Low116 Ų116110.5 Ų110.554%0.54258%0.576SS.*Hα-helixtrans-72.7-43.5177.8-73175.2168.800111K177 R182 N183 T184K177-E180 PolarHBondContact O-N 3.06Å; E180-R182 VanDerWaalsContact C-N 3.27Å; E180-R182 PolarHBondContact O-N 2.78Å; E180-N183 PolarHBondContact O-N 3.38Å; E180-T184 PolarHBondContact O-N 3.34Å; E180-T184 PolarHBondContact O-OG1 2.87Å; E180-T184 VanDerWaalsContact O-OG1 3.14Å
181I75.9Confident65.1Low72 Ų72112 Ų11237%0.36959%0.594SS.*Hα-helixtrans-55.4-48.2170.1-59.4-178.9000109.2M176 K177 N183 T184 V185M176-I181 HydrophobicContact CB-CD1 3.82Å; M176-I181 HydrophobicContact CB-CG1 3.38Å; M176-I181 HydrophobicContact CG-CG1 4.35Å; M176-I181 WeakPolarHBondContact O-CD1 3.42Å; M176-I181 HydrophobicContact SD-CG1 4.06Å; K177-I181 PolarHBondContact O-N 3.38Å; K177-I181 VanDerWaalsContact O-N 3.12Å; I181-N183 PolarHBondContact O-N 3.1Å; I181-T184 PolarHBondContact O-N 2.79Å; I181-V185 HydrophobicContact CG2-CG2 4.13Å; I181-V185 VanDerWaalsContact O-CB 3.31Å; I181-V185 WeakPolarHBondContact O-CB 3.41Å; I181-V185 WeakPolarHBondContact O-CG2 3.16Å; I181-V185 PolarHBondContact O-N 3.02Å
182R79.6Confident65.5Low167 Ų167113.7 Ų113.763%0.6359%0.593SS**Hα-helixtrans-56.9-47.9177.3177.3-173.3-176.7-169.11.3111.3F178 T179 E180 V185 I186F178-R182 WeakPolarHBondContact O-CB 3Å; F178-R182 PolarHBondContact O-N 3.38Å; T179-R182 WeakPolarHBondContact O-CB 3.46Å; T179-R182 PolarHBondContact O-N 3.12Å; E180-R182 VanDerWaalsContact C-N 3.27Å; E180-R182 PolarHBondContact O-N 2.78Å; R182-V185 PolarHBondContact O-N 3.18Å; R182-I186 HydrophobicContact CG-CD1 3.67Å; R182-I186 HydrophobicContact CG-CG1 4.34Å; R182-I186 WeakPolarHBondContact O-CB 3.09Å; R182-I186 WeakPolarHBondContact O-CG1 3.21Å; R182-I186 PolarHBondContact O-N 2.95Å
183N69.1Low65.7Low93 Ų93113.8 Ų113.850%0.49760%0.598SS.*Hα-helixtrans-67.3-40.4-177.6-71.2-11.5000112.2T179 E180 I181 I186 S187T179-N183 WeakPolarHBondContact O-CB 3.38Å; T179-N183 PolarHBondContact O-N 3.4Å; T179-N183 PolarHBondContact O-ND2 2.89Å; T179-N183 PolarHBondContact O-OD1 3.25Å; E180-N183 PolarHBondContact O-N 3.38Å; I181-N183 PolarHBondContact O-N 3.1Å; N183-I186 PolarHBondContact O-N 3.31Å; N183-S187 WeakPolarHBondContact O-CB 3.08Å; N183-S187 PolarHBondContact O-N 2.86Å
184T75Confident66.3Low77 Ų77118.4 Ų118.447%0.47261%0.606SS.*Hα-helixtrans-66-41.2174.4-56.50000111.7E180 I181 S187 R188E180-T184 PolarHBondContact O-N 3.34Å; E180-T184 PolarHBondContact O-OG1 2.87Å; E180-T184 VanDerWaalsContact O-OG1 3.14Å; I181-T184 PolarHBondContact O-N 2.79Å; T184-S187 PolarHBondContact O-N 3.14Å; T184-R188 PolarHBondContact O-N 2.9Å
185V81Confident66.8Low73 Ų73115.6 Ų115.644%0.44259%0.591SS.*Hα-helixtrans-63.9-46.5175.9169.90000110.5I181 R182 S187 R188 M189I181-V185 HydrophobicContact CG2-CG2 4.13Å; I181-V185 VanDerWaalsContact O-CB 3.31Å; I181-V185 WeakPolarHBondContact O-CB 3.41Å; I181-V185 WeakPolarHBondContact O-CG2 3.16Å; I181-V185 PolarHBondContact O-N 3.02Å; R182-V185 PolarHBondContact O-N 3.18Å; V185-S187 VanDerWaalsContact C-N 3.32Å; V185-S187 PolarHBondContact O-N 3.41Å; V185-R188 PolarHBondContact O-N 3.45Å; V185-M189 HydrophobicContact CG1-CG 4.26Å; V185-M189 HydrophobicContact CG1-SD 3.79Å; V185-M189 WeakPolarHBondContact O-CB 3.19Å; V185-M189 VanDerWaalsContact O-CG 3.28Å; V185-M189 WeakPolarHBondContact O-CG 3.41Å; V185-M189 PolarHBondContact O-N 2.87Å
186I76.3Confident67.7Low75 Ų75112.9 Ų112.939%0.38558%0.581SS.*Hα-helixtrans-56.6-47.5175.4-72.2168.4000110.2R182 N183 R188 M189 T190R182-I186 HydrophobicContact CG-CD1 3.67Å; R182-I186 HydrophobicContact CG-CG1 4.34Å; R182-I186 WeakPolarHBondContact O-CB 3.09Å; R182-I186 WeakPolarHBondContact O-CG1 3.21Å; R182-I186 PolarHBondContact O-N 2.95Å; N183-I186 PolarHBondContact O-N 3.31Å; I186-R188 VanDerWaalsContact C-N 3.34Å; I186-R188 PolarHBondContact O-N 3.35Å; I186-M189 PolarHBondContact O-N 3.28Å; I186-M189 VanDerWaalsContact O-N 3.15Å; I186-T190 HydrophobicContact CG2-CG2 4.43Å; I186-T190 PolarHBondContact O-N 3.35Å; I186-T190 PolarHBondContact O-OG1 3.25Å; I186-T190 VanDerWaalsContact O-OG1 3.1Å
187S73.8Confident68.1Low76 Ų76107.1 Ų107.153%0.53156%0.555SS.*Hα-helixtrans-61.1-39.3-179.2-175.20000112.9N183 T184 V185 T190 A191N183-S187 WeakPolarHBondContact O-CB 3.08Å; N183-S187 PolarHBondContact O-N 2.86Å; T184-S187 PolarHBondContact O-N 3.14Å; V185-S187 VanDerWaalsContact C-N 3.32Å; V185-S187 PolarHBondContact O-N 3.41Å; S187-T190 WeakPolarHBondContact CA-OG1 3.35Å; S187-T190 PolarHBondContact O-OG1 2.93Å; S187-A191 PolarHBondContact O-N 3.15Å
188R73.1Confident68.4Low195 Ų195109.2 Ų109.274%0.73656%0.564SS**Hα-helixtrans-70.9-38173.6-71.4-162.9-178.2-168.42.4113T184 V185 I186 T190 A191 Q192T184-R188 PolarHBondContact O-N 2.9Å; V185-R188 PolarHBondContact O-N 3.45Å; I186-R188 VanDerWaalsContact C-N 3.34Å; I186-R188 PolarHBondContact O-N 3.35Å; R188-T190 VanDerWaalsContact C-N 3.34Å; R188-A191 PolarHBondContact O-N 3.31Å; R188-Q192 PolarHBondContact O-N 3.18Å
189M72.7Confident68.8Low133 Ų133104.8 Ų104.866%0.65555%0.549SS*.Hα-helixtrans-65.2-37.2176.8-71.9179.472.400112V185 I186 A191 Q192V185-M189 HydrophobicContact CG1-CG 4.26Å; V185-M189 HydrophobicContact CG1-SD 3.79Å; V185-M189 WeakPolarHBondContact O-CB 3.19Å; V185-M189 VanDerWaalsContact O-CG 3.28Å; V185-M189 WeakPolarHBondContact O-CG 3.41Å; V185-M189 PolarHBondContact O-N 2.87Å; I186-M189 PolarHBondContact O-N 3.28Å; I186-M189 VanDerWaalsContact O-N 3.15Å; M189-A191 VanDerWaalsContact C-N 3.28Å; M189-A191 PolarHBondContact O-N 2.84Å; M189-Q192 PolarHBondContact O-N 3.17Å
190T63.9Low68.7Low111 Ų111103.1 Ų103.168%0.68154%0.538SS*.Hα-helixtrans-70.3-23.7175.548.40000113.4I186 S187 R188I186-T190 HydrophobicContact CG2-CG2 4.43Å; I186-T190 PolarHBondContact O-N 3.35Å; I186-T190 PolarHBondContact O-OG1 3.25Å; I186-T190 VanDerWaalsContact O-OG1 3.1Å; S187-T190 WeakPolarHBondContact CA-OG1 3.35Å; S187-T190 PolarHBondContact O-OG1 2.93Å; R188-T190 VanDerWaalsContact C-N 3.34Å
191A58.5Low68.5Low76 Ų76103.3 Ų103.363%0.62854%0.542SS*.Hα-helixtrans-85.7-16.6179.400000113.5S187 R188 M189 T193S187-A191 PolarHBondContact O-N 3.15Å; R188-A191 PolarHBondContact O-N 3.31Å; M189-A191 VanDerWaalsContact C-N 3.28Å; M189-A191 PolarHBondContact O-N 2.84Å; A191-T193 PolarHBondContact O-N 3.2Å
192Q64.7Low68Low142 Ų142106.6 Ų106.666%0.66455%0.551SS**SBendtrans-75.4108.6176.1-165.9156.84.500108.7R188 M189 I194R188-Q192 PolarHBondContact O-N 3.18Å; M189-Q192 PolarHBondContact O-N 3.17Å; Q192-I194 PolarHBondContact O-N 2.73Å
193T59.6Low67.1Low127 Ų127104.3 Ų104.378%0.77956%0.558SS**  trans-44.1128.4176.5-46.30000110.2A191 I195A191-T193 PolarHBondContact O-N 3.2Å; T193-I195 PolarHBondContact O-N 2.85Å; T193-I195 VanDerWaalsContact O-N 3.1Å
194I64.5Low67Low162 Ų162108.3 Ų108.383%0.83158%0.579SS**  trans-38.9115.2179.9-61.4167000109.8Q192 D196Q192-I194 PolarHBondContact O-N 2.73Å; I194-D196 PolarHBondContact O-N 3.44Å
195I64Low66.5Low109 Ų109106.1 Ų106.156%0.55957%0.572SS**  trans-70.1120.4171.3-58.3170.6000106.3T193 D199 V200T193-I195 PolarHBondContact O-N 2.85Å; T193-I195 VanDerWaalsContact O-N 3.1Å; I195-D199 HydrophobicContact CG2-CB 4.25Å; I195-V200 HydrophobicContact CG2-CG2 4.03Å
196D64.3Low65.8Low82 Ų82108 Ų10844%0.43959%0.586SS.*  trans-61.6138.1176.2-170.70.2000109.6I194 K198 D199I194-D196 PolarHBondContact O-N 3.44Å; D196-K198 HydrophobicContact CB-CG 4.34Å; D196-K198 PolarHBondContact O-N 2.78Å; D196-K198 VanDerWaalsContact O-N 3.13Å; D196-K198 WeakPolarHBondContact OD2-CE 3.34Å; D196-K198 WeakPolarHBondContact OD2-CG 3.15Å; D196-K198 IonicContact OD2-NZ 2.65Å; D196-D199 WeakPolarHBondContact O-CA 3.33Å; D196-D199 WeakPolarHBondContact O-CB 3.25Å; D196-D199 PolarHBondContact O-N 3.45Å
197G63.4Low65.3Low11 Ų11108.5 Ų108.511%0.11359%0.592CS.*G310 helixtrans-57.5-33.9-172.700000112.9D199 V200G197-D199 PolarHBondContact O-N 2.82Å; G197-V200 PolarHBondContact O-N 3.05Å
198K60.4Low65.4Low124 Ų124110.1 Ų110.154%0.53959%0.59SS.*G310 helixtrans-65.6-19.3175.870.2175.5179.245.30113.9D196D196-K198 HydrophobicContact CB-CG 4.34Å; D196-K198 PolarHBondContact O-N 2.78Å; D196-K198 VanDerWaalsContact O-N 3.13Å; D196-K198 WeakPolarHBondContact OD2-CE 3.34Å; D196-K198 WeakPolarHBondContact OD2-CG 3.15Å; D196-K198 IonicContact OD2-NZ 2.65Å
199D66.4Low65.4Low91 Ų91105 Ų10549%0.48758%0.578SS.*G310 helixtrans-92.3-7.9-178.1-60.7-24.7000112.1I195 D196 G197 L201I195-D199 HydrophobicContact CG2-CB 4.25Å; D196-D199 WeakPolarHBondContact O-CA 3.33Å; D196-D199 WeakPolarHBondContact O-CB 3.25Å; D196-D199 PolarHBondContact O-N 3.45Å; G197-D199 PolarHBondContact O-N 2.82Å; D199-L201 PolarHBondContact O-N 3.05Å
200V71Confident65.3Low54 Ų54102.9 Ų102.933%0.32757%0.574SS.*  trans-7779.1169-172.50000108.9I195 G197 F208I195-V200 HydrophobicContact CG2-CG2 4.03Å; G197-V200 PolarHBondContact O-N 3.05Å; V200-F208 HydrophobicContact CB-CB 4.4Å; V200-F208 HydrophobicContact CG1-CB 4.49Å
201L62.5Low65.9Low119 Ų119102.7 Ų102.762%0.62358%0.577SS**  trans-90.8118.3175.4-61.5176.8000109.9D199 T207D199-L201 PolarHBondContact O-N 3.05Å; L201-T207 HydrophobicContact CD2-CG2 4.22Å
202Y65.3Low66.5Low142 Ų142100.6 Ų100.656%0.55756%0.562SS**  trans-75124.3158.2-66.5-79.1000107.7N204 G205 P206Y202-N204 PolarHBondContact O-N 2.77Å; Y202-G205 PolarHBondContact O-N 3.03Å; Y202-P206 WeakPolarHBondContact CD2-O 3.46Å
203P60.8Low67.1Low118 Ų11897.7 Ų97.777%0.76656%0.562SS**THydrogen-bonded Turntrans-61105.8173.822.9-29.6000108.2
204N66.8Low68.4Low177 Ų17797.7 Ų97.795%0.94755%0.552SS**THydrogen-bonded Turntrans77.86.3-174.4-42.8-46.4000117.3Y202Y202-N204 PolarHBondContact O-N 2.77Å
205G63.8Low69.7Low32 Ų3292.3 Ų92.333%0.3353%0.526SS..SBendtrans-98.6170175.600000113Y202Y202-G205 PolarHBondContact O-N 3.03Å
206P65.5Low71Confident112 Ų11290 Ų9073%0.72752%0.515SS*.PPolyproline II helixtrans-58.7139.617126.7-33.1000110.2Y202 F208Y202-P206 WeakPolarHBondContact CD2-O 3.46Å; P206-F208 PolarHBondContact O-N 3.11Å
207T66.8Low72.4Confident85 Ų8586.3 Ų86.352%0.52150%0.495SS..PPolyproline II helixtrans-64133.6169.8-52.60000109L201 D209L201-T207 HydrophobicContact CD2-CG2 4.22Å; T207-D209 PolarHBondContact O-N 2.86Å
208F74.9Confident73.9Confident110 Ų11085.8 Ų85.848%0.48249%0.489SS..PPolyproline II helixtrans-71118.3171.5177-108.9000109.3V200 P206 P210V200-F208 HydrophobicContact CB-CB 4.4Å; V200-F208 HydrophobicContact CG1-CB 4.49Å; P206-F208 PolarHBondContact O-N 3.11Å; F208-P210 HydrophobicContact CE1-CB 3.79Å; F208-P210 HydrophobicContact CE1-CG 4.2Å; F208-P210 HydrophobicContact CZ-CB 4.11Å
209D72.9Confident75.6Confident89 Ų8980.1 Ų80.148%0.47647%0.465SS..  trans-109.9103.2173.2179.76.1000109.4T207 S211 G212T207-D209 PolarHBondContact O-N 2.86Å; D209-S211 PolarHBondContact O-N 3.01Å; D209-S211 WeakPolarHBondContact OD1-CA 3.47Å; D209-S211 WeakPolarHBondContact OD1-CB 2.98Å; D209-S211 PolarHBondContact OD1-N 3.16Å; D209-S211 PolarHBondContact OD1-OG 3.25Å; D209-G212 PolarHBondContact O-N 2.64Å; D209-G212 PolarHBondContact OD1-N 3.09Å; D209-G212 VanDerWaalsContact OD1-N 3.14Å; D209-G212 WeakPolarHBondContact OD2-CA 3.28Å; D209-G212 PolarHBondContact OD2-N 2.92Å
210P71.2Confident76.9Confident88 Ų8876.3 Ų76.357%0.57145%0.445SS*.THydrogen-bonded Turntrans-70.7-16.6177.628.7-34.4000113.3F208F208-P210 HydrophobicContact CE1-CB 3.79Å; F208-P210 HydrophobicContact CE1-CG 4.2Å; F208-P210 HydrophobicContact CZ-CB 4.11Å
211S76.7Confident78.1Confident107 Ų10777 Ų7775%0.74844%0.441SS*.THydrogen-bonded Turntrans-90.9-11.5175.974.60000112.9D209 A213D209-S211 PolarHBondContact O-N 3.01Å; D209-S211 WeakPolarHBondContact OD1-CA 3.47Å; D209-S211 WeakPolarHBondContact OD1-CB 2.98Å; D209-S211 PolarHBondContact OD1-N 3.16Å; D209-S211 PolarHBondContact OD1-OG 3.25Å; S211-A213 PolarHBondContact O-N 2.83Å
212G71.2Confident79.7Confident31 Ų3172.2 Ų72.232%0.3242%0.416SS..SBendtrans-68.4123.6-178.900000111.5D209 K214D209-G212 PolarHBondContact O-N 2.64Å; D209-G212 PolarHBondContact OD1-N 3.09Å; D209-G212 VanDerWaalsContact OD1-N 3.14Å; D209-G212 WeakPolarHBondContact OD2-CA 3.28Å; D209-G212 PolarHBondContact OD2-N 2.92Å; G212-K214 PolarHBondContact O-N 2.71Å
213A78Confident81Confident81 Ų8171.8 Ų71.867%0.66943%0.428SS*.  trans-67.3127.817700000111.5S211 V215S211-A213 PolarHBondContact O-N 2.83Å; A213-V215 VanDerWaalsContact C-N 3.27Å; A213-V215 HydrophobicContact CB-CG2 3.93Å; A213-V215 PolarHBondContact O-N 2.8Å
214K86.3Confident82.5Confident128 Ų12870.6 Ų70.656%0.55742%0.418SS*.  trans-79.777.4175.1-59.7-178.1-154.41380110.8G212 A317 S318 D319G212-K214 PolarHBondContact O-N 2.71Å; K214-A317 WeakPolarHBondContact O-CA 3.16Å; K214-S318 WeakPolarHBondContact CB-OG 3.49Å; K214-S318 PolarHBondContact O-N 2.8Å; K214-S318 PolarHBondContact O-OG 3.5Å; K214-D319 WeakPolarHBondContact CB-OD2 3.38Å; K214-D319 VanDerWaalsContact CD-OD1 3.25Å; K214-D319 WeakPolarHBondContact CD-OD1 3.28Å; K214-D319 WeakPolarHBondContact CE-OD1 3.31Å; K214-D319 VanDerWaalsContact CG-OD2 3.29Å; K214-D319 WeakPolarHBondContact CG-OD2 3.31Å; K214-D319 PolarHBondContact N-OD2 3.13Å; K214-D319 IonicContact NZ-OD1 3.77Å; K214-D319 PolarHBondContact NZ-OD1 3.23Å
215V91.1Very high83.7Confident48 Ų4864 Ų6429%0.29139%0.388SS..EExtended strand (participates in β ladder)trans-111.7123.6177.4-172.80000109.6A213 R239 Y316 A317A213-V215 VanDerWaalsContact C-N 3.27Å; A213-V215 HydrophobicContact CB-CG2 3.93Å; A213-V215 PolarHBondContact O-N 2.8Å; V215-R239 PolarHBondContact O-NH2 3.38Å; V215-Y316 WeakPolarHBondContact CA-O 3.46Å; V215-A317 HydrophobicContact CG2-CB 3.85Å
216I92Very high85.1Confident62 Ų6263.4 Ų63.432%0.31838%0.382SS..EExtended strand (participates in β ladder)trans-101.2141.8172.5-60.9173000108.3L236 T315 Y316 I365 P369I216-L236 HydrophobicContact CG2-CD1 3.82Å; I216-T315 CarbonylContact O-C 3.51Å; I216-T315 VanDerWaalsContact O-CA 3.25Å; I216-T315 WeakPolarHBondContact O-CA 3.02Å; I216-Y316 PolarHBondContact N-O 2.72Å; I216-Y316 PolarHBondContact O-N 2.99Å; I216-I365 HydrophobicContact CG2-CD1 4.15Å; I216-P369 HydrophobicContact CG2-CG 4.22Å
217S93.8Very high86.4Confident3 Ų362.1 Ų62.12%0.02137%0.373CS..EExtended strand (participates in β ladder)trans-127.7132.9172.2-58.40000108.6L237 R239 A314S217-L237 WeakPolarHBondContact O-CA 3.46Å; S217-L237 PolarHBondContact O-N 3.44Å; S217-R239 PolarHBondContact OG-NE 3.42Å; S217-A314 CarbonylContact C-O 3.57Å; S217-A314 WeakPolarHBondContact CA-O 3.37Å
218A95.2Very high87.8Confident0 Ų059.7 Ų59.70%036%0.358CS..EExtended strand (participates in β ladder)trans-144.4162.418000000110.8W234 S235 A314 I365 P369A218-W234 HydrophobicContact CB-CB 4.19Å; A218-W234 HydrophobicContact CB-CE3 3.98Å; A218-S235 CarbonylContact C-O 3.47Å; A218-S235 WeakPolarHBondContact CA-O 3.33Å; A218-S235 WeakPolarHBondContact CB-O 3.49Å; A218-A314 PolarHBondContact N-O 3Å; A218-A314 PolarHBondContact O-N 2.82Å; A218-I365 HydrophobicContact CB-CD1 3.65Å; A218-I365 HydrophobicContact CB-CG1 4.07Å; A218-I365 HydrophobicContact CB-CG2 4.46Å; A218-P369 HydrophobicContact CB-CB 3.98Å
219F94.9Very high88.6Confident5 Ų555.8 Ų55.82%0.02234%0.343CS..EExtended strand (participates in β ladder)trans-135.4154.9176.867.6-80000111.6S235 L237 D287 F288 F311 S312 L313F219-S235 WeakPolarHBondContact CD1-O 3.32Å; F219-S235 PolarHBondContact N-O 2.86Å; F219-S235 PolarHBondContact O-N 3.03Å; F219-L237 HydrophobicContact CD1-CB 4.03Å; F219-L237 HydrophobicContact CD1-CD2 4.46Å; F219-L237 HydrophobicContact CE1-CB 4.45Å; F219-D287 HydrophobicContact CE2-CB 3.98Å; F219-F288 HydrophobicContact CD1-CE1 4.36Å; F219-F288 AromaticContact CD1-CZ 3.68Å; F219-F288 HydrophobicContact CD1-CZ 3.68Å; F219-F288 AromaticContact CD2-CE1 3.84Å; F219-F288 HydrophobicContact CD2-CE1 3.84Å; F219-F288 AromaticContact CD2-CZ 3.97Å; F219-F288 HydrophobicContact CD2-CZ 3.97Å; F219-F288 HydrophobicContact CE1-CE1 4.48Å; F219-F288 HydrophobicContact CE1-CE2 4.2Å; F219-F288 AromaticContact CE1-CZ 3.69Å; F219-F288 HydrophobicContact CE1-CZ 3.69Å; F219-F288 AromaticContact CE2-CE1 3.99Å; F219-F288 HydrophobicContact CE2-CE1 3.99Å; F219-F288 AromaticContact CE2-CZ 4Å; F219-F288 HydrophobicContact CE2-CZ 4Å; F219-F288 HydrophobicContact CG-CE1 4.03Å; F219-F288 AromaticContact CG-CZ 3.8Å; F219-F288 HydrophobicContact CG-CZ 3.8Å; F219-F288 HydrophobicContact CZ-CE1 4.3Å; F219-F288 HydrophobicContact CZ-CE2 4.34Å; F219-F288 AromaticContact CZ-CZ 3.85Å; F219-F288 HydrophobicContact CZ-CZ 3.85Å; F219-F311 AromaticContact CD2-CD1 3.97Å; F219-F311 HydrophobicContact CD2-CD1 3.97Å; F219-F311 HydrophobicContact CD2-CE1 4.41Å; F219-S312 VanDerWaalsContact CA-O 3.28Å; F219-S312 WeakPolarHBondContact CA-O 3.41Å; F219-L313 HydrophobicContact CB-CD2 3.47Å; F219-L313 VanDerWaalsContact CB-CD2 3.47Å; F219-L313 HydrophobicContact CG-CD2 4.5Å
220I95.4Very high89.4Confident12 Ų1256.8 Ų56.86%0.06236%0.364CS..EExtended strand (participates in β ladder)trans-137.5139.9171.3-171.1171.2000108.7T228 P229 W234 F311 S312I220-T228 HydrophobicContact CG2-CG2 4.22Å; I220-P229 HydrophobicContact CD1-CB 4.27Å; I220-P229 HydrophobicContact CD1-CG 4.17Å; I220-P229 HydrophobicContact CG1-CG 4.35Å; I220-W234 HydrophobicContact CB-CD2 3.97Å; I220-W234 HydrophobicContact CB-CE3 4.05Å; I220-W234 HydrophobicContact CB-CG 4.4Å; I220-W234 HydrophobicContact CB-CZ3 4.37Å; I220-W234 HydrophobicContact CG2-CD2 3.99Å; I220-W234 HydrophobicContact CG2-CE3 3.97Å; I220-W234 HydrophobicContact CG2-CH2 3.67Å; I220-W234 HydrophobicContact CG2-CZ2 3.68Å; I220-W234 HydrophobicContact CG2-CZ3 3.81Å; I220-F311 CarbonylContact O-C 3.57Å; I220-F311 VanDerWaalsContact O-CA 3.28Å; I220-F311 WeakPolarHBondContact O-CA 3.18Å; I220-S312 PolarHBondContact N-O 2.9Å; I220-S312 PolarHBondContact O-N 3.31Å
221R94.7Very high90.2Very high68 Ų6857.5 Ų57.526%0.25737%0.371SS..EExtended strand (participates in β ladder)trans-65.1134.8172.6-81.4174.6173.8-124.411.6110.3P229 D287 E296 F311R221-P229 WeakPolarHBondContact O-CG 3.42Å; R221-D287 IonicContact CZ-OD1 3.16Å; R221-D287 IonicContact NE-OD1 3.67Å; R221-D287 PolarHBondContact NE-OD1 3.05Å; R221-D287 IonicContact NE-OD2 2.84Å; R221-D287 PolarHBondContact NE-OD2 3.45Å; R221-D287 IonicContact NH2-OD1 2.71Å; R221-D287 PolarHBondContact NH2-OD1 3.38Å; R221-E296 IonicContact CZ-OE1 3.41Å; R221-E296 IonicContact CZ-OE2 3.5Å; R221-E296 IonicContact NH1-OE1 3.05Å; R221-E296 PolarHBondContact NH1-OE1 3.12Å; R221-E296 IonicContact NH1-OE2 2.8Å; R221-E296 PolarHBondContact NH1-OE2 2.94Å; R221-E296 IonicContact NH2-OE2 2.89Å; R221-E296 PolarHBondContact NH2-OE2 3.39Å; R221-F311 HydrophobicContact CB-CD1 4.4Å; R221-F311 HydrophobicContact CB-CE1 4.47Å; R221-F311 HydrophobicContact CG-CD1 3.73Å; R221-F311 HydrophobicContact CG-CE1 3.4Å
222E95.8Very high90.7Very high19 Ų1954.6 Ų54.69%0.08936%0.358CS..  trans-90.4134.8176.3-64177.9160.900110.9A225 G226 T310 S312 R327 G328E222-A225 WeakPolarHBondContact OE2-CA 3.49Å; E222-G226 PolarHBondContact OE2-N 3.44Å; E222-T310 PolarHBondContact N-O 3.01Å; E222-T310 WeakPolarHBondContact OE2-CB 3.37Å; E222-T310 PolarHBondContact OE2-OG1 2.9Å; E222-S312 PolarHBondContact OE1-N 3.25Å; E222-S312 PolarHBondContact OE1-OG 2.83Å; E222-R327 WeakPolarHBondContact OE1-CA 3.39Å; E222-G328 VanDerWaalsContact CD-N 3.32Å; E222-G328 PolarHBondContact OE1-N 3.49Å; E222-G328 WeakPolarHBondContact OE2-CA 3.31Å; E222-G328 PolarHBondContact OE2-N 3.38Å; E222-G328 VanDerWaalsContact OE2-N 3.07Å
223T92.6Very high91.5Very high132 Ų13259.2 Ų59.281%0.8138%0.376SS*.SBendtrans-77.1-30.6170.4-460000111.6
224V93.2Very high92.3Very high94 Ų9455.7 Ų55.757%0.5735%0.345SS*.BIsolated β-bridgetrans-130.1125174.6178.40000107.5G226 T227V224-G226 PolarHBondContact O-N 3.27Å; V224-T227 PolarHBondContact O-N 2.71Å
225A91.7Very high92.6Very high38 Ų3850.8 Ų50.831%0.31433%0.327SS..THydrogen-bonded Turntrans-54.2126.2-178.300000111.8E222 T310 L353E222-A225 WeakPolarHBondContact OE2-CA 3.49Å; A225-T310 WeakPolarHBondContact CA-OG1 3.45Å; A225-T310 HydrophobicContact CB-CG2 4.07Å; A225-L353 HydrophobicContact CB-CD1 4.48Å
226G92.6Very high92.7Very high20 Ų2050.3 Ų50.321%0.20632%0.322CS..THydrogen-bonded Turntrans88-3.3-179.500000115E222 V224 R327E222-G226 PolarHBondContact OE2-N 3.44Å; V224-G226 PolarHBondContact O-N 3.27Å; G226-R327 WeakPolarHBondContact O-CB 3.49Å; G226-R327 WeakPolarHBondContact O-CD 3.23Å
227T94.2Very high92.7Very high85 Ų8547.5 Ų47.552%0.52131%0.308SS..BIsolated β-bridgetrans-114.6117.2175.3-550000110.6V224 P229V224-T227 PolarHBondContact O-N 2.71Å; T227-P229 WeakPolarHBondContact O-CD 3.39Å
228T94.6Very high92.5Very high34 Ų3450.1 Ų50.121%0.20932%0.319CS..  trans-63.7125.2171.1-49.70000109.5I220 W234 S312 R327I220-T228 HydrophobicContact CG2-CG2 4.22Å; T228-W234 HydrophobicContact CG2-CH2 4.06Å; T228-W234 HydrophobicContact CG2-CZ2 3.65Å; T228-S312 WeakPolarHBondContact CA-OG 3.13Å; T228-S312 WeakPolarHBondContact CB-OG 3.4Å; T228-S312 PolarHBondContact OG1-OG 3.46Å; T228-R327 PolarHBondContact OG1-NE 3.31Å
229P92.1Very high92.3Very high28 Ų2853.9 Ų53.918%0.18233%0.333CS..  trans-57.4140.6177-22.131000112I220 R221 T227 S231I220-P229 HydrophobicContact CD1-CB 4.27Å; I220-P229 HydrophobicContact CD1-CG 4.17Å; I220-P229 HydrophobicContact CG1-CG 4.35Å; R221-P229 WeakPolarHBondContact O-CG 3.42Å; T227-P229 WeakPolarHBondContact O-CD 3.39Å; P229-S231 VanDerWaalsContact C-N 3.25Å; P229-S231 PolarHBondContact O-N 2.71Å
230A89.3Confident92.2Very high109 Ų10957.9 Ų57.990%0.90136%0.358SS*.SBendtrans-70.6-23.6177.900000113.1
231S89Confident92.1Very high103 Ų10360.2 Ų60.272%0.7238%0.375SS*.SBendtrans-136.9146.6178600000110.5P229P229-S231 VanDerWaalsContact C-N 3.25Å; P229-S231 PolarHBondContact O-N 2.71Å
232G86Confident92.1Very high47 Ų4760.5 Ų60.549%0.48538%0.377SS..  trans142.1157.3175.700000110.8
233D89.9Confident92Very high128 Ų12861.1 Ų61.168%0.68439%0.388SS*.PPolyproline II helixtrans-81.5124.2-179.2-64.4-35.1000109.9V370D233-V370 HydrophobicContact CB-CG2 3.81Å
234W94Very high92.1Very high6 Ų654.9 Ų54.92%0.02335%0.35CS..PPolyproline II helixtrans-73.1131.7170.5-74.378.5000109.1A218 I220 T228 S312 A314 I365 P369 V370A218-W234 HydrophobicContact CB-CB 4.19Å; A218-W234 HydrophobicContact CB-CE3 3.98Å; I220-W234 HydrophobicContact CB-CD2 3.97Å; I220-W234 HydrophobicContact CB-CE3 4.05Å; I220-W234 HydrophobicContact CB-CG 4.4Å; I220-W234 HydrophobicContact CB-CZ3 4.37Å; I220-W234 HydrophobicContact CG2-CD2 3.99Å; I220-W234 HydrophobicContact CG2-CE3 3.97Å; I220-W234 HydrophobicContact CG2-CH2 3.67Å; I220-W234 HydrophobicContact CG2-CZ2 3.68Å; I220-W234 HydrophobicContact CG2-CZ3 3.81Å; T228-W234 HydrophobicContact CG2-CH2 4.06Å; T228-W234 HydrophobicContact CG2-CZ2 3.65Å; W234-S312 WeakPolarHBondContact CZ3-O 3.18Å; W234-A314 HydrophobicContact CE3-CB 4.32Å; W234-A314 HydrophobicContact CH2-CB 3.7Å; W234-A314 HydrophobicContact CZ3-CB 3.47Å; W234-A314 VanDerWaalsContact CZ3-CB 3.47Å; W234-I365 HydrophobicContact CB-CG2 3.79Å; W234-I365 HydrophobicContact CD2-CB 4.34Å; W234-I365 HydrophobicContact CD2-CG1 4.28Å; W234-I365 HydrophobicContact CD2-CG2 4.07Å; W234-I365 HydrophobicContact CE3-CG1 4.13Å; W234-I365 HydrophobicContact CG-CB 4.43Å; W234-I365 HydrophobicContact CG-CG2 3.69Å; W234-I365 HydrophobicContact CZ3-CG1 4.46Å; W234-P369 HydrophobicContact CB-CB 4.2Å; W234-P369 CarbonylContact O-C 3.58Å; W234-P369 WeakPolarHBondContact O-CA 3.33Å; W234-V370 PolarHBondContact O-N 3.48Å
235S92.8Very high92.2Very high25 Ų2556.5 Ų56.518%0.17535%0.349CS..EExtended strand (participates in β ladder)trans-90.6129.7174.9-69.50000110.7A218 F219 L237 V370A218-S235 CarbonylContact C-O 3.47Å; A218-S235 WeakPolarHBondContact CA-O 3.33Å; A218-S235 WeakPolarHBondContact CB-O 3.49Å; F219-S235 WeakPolarHBondContact CD1-O 3.32Å; F219-S235 PolarHBondContact N-O 2.86Å; F219-S235 PolarHBondContact O-N 3.03Å; S235-L237 PolarHBondContact O-N 3.16Å; S235-V370 WeakPolarHBondContact CA-O 3.26Å
236L92.5Very high92.3Very high39 Ų3957 Ų5720%0.20435%0.349CS..EExtended strand (participates in β ladder)trans-67.9129.2179.5-176.766.9000111.1I216 K238 Q284 P369 V370 D371I216-L236 HydrophobicContact CG2-CD1 3.82Å; L236-K238 HydrophobicContact CD2-CG 4.3Å; L236-K238 HydrophobicContact CG-CG 4.4Å; L236-Q284 PolarHBondContact O-NE2 3.03Å; L236-P369 HydrophobicContact CB-CB 4.15Å; L236-P369 HydrophobicContact CD1-CB 4.42Å; L236-P369 HydrophobicContact CD1-CG 4.02Å; L236-V370 PolarHBondContact N-O 3.28Å; L236-D371 HydrophobicContact CD2-CB 4.23Å
237L92Very high92.3Very high3 Ų359.3 Ų59.32%0.01636%0.359CS..  trans-107.3101.9178.1-174.150.9000111.8S217 F219 S235 R239 W242 V276 T278 F288S217-L237 WeakPolarHBondContact O-CA 3.46Å; S217-L237 PolarHBondContact O-N 3.44Å; F219-L237 HydrophobicContact CD1-CB 4.03Å; F219-L237 HydrophobicContact CD1-CD2 4.46Å; F219-L237 HydrophobicContact CE1-CB 4.45Å; S235-L237 PolarHBondContact O-N 3.16Å; L237-R239 WeakPolarHBondContact O-CD 3.3Å; L237-R239 PolarHBondContact O-N 2.89Å; L237-R239 VanDerWaalsContact O-N 3.13Å; L237-W242 HydrophobicContact CD2-CZ3 4.04Å; L237-V276 HydrophobicContact CD2-CG1 4.22Å; L237-T278 HydrophobicContact CD1-CG2 4.1Å; L237-F288 HydrophobicContact CD1-CE2 3.79Å; L237-F288 HydrophobicContact CD1-CZ 4.19Å; L237-F288 HydrophobicContact CD2-CE2 4.41Å; L237-F288 HydrophobicContact CD2-CZ 4.11Å
238K89.8Confident92.3Very high58 Ų5859.2 Ų59.225%0.25235%0.353SS..  trans-85.587.2178.8-69.8178.3-177150.80111.2L236 R281 D371L236-K238 HydrophobicContact CD2-CG 4.3Å; L236-K238 HydrophobicContact CG-CG 4.4Å; K238-R281 PolarHBondContact O-NH1 2.81Å; K238-R281 VanDerWaalsContact O-NH1 3.1Å; K238-D371 WeakPolarHBondContact CE-OD1 3.49Å; K238-D371 IonicContact NZ-OD1 3.7Å; K238-D371 PolarHBondContact NZ-OD1 3.07Å; K238-D371 IonicContact NZ-OD2 3.89Å; K238-D371 PolarHBondContact NZ-OD2 2.97Å
239R91.8Very high92.1Very high78 Ų7860.4 Ų60.429%0.29436%0.358SS..EExtended strand (participates in β ladder)trans-88.2152.5177.674.7-61.9-172.3-105.38.6114.9V215 S217 L237 W242 V276 G277 T278V215-R239 PolarHBondContact O-NH2 3.38Å; S217-R239 PolarHBondContact OG-NE 3.42Å; L237-R239 WeakPolarHBondContact O-CD 3.3Å; L237-R239 PolarHBondContact O-N 2.89Å; L237-R239 VanDerWaalsContact O-N 3.13Å; R239-W242 HydrophobicContact CG-CE3 4.34Å; R239-V276 HydrophobicContact CB-CG1 3.76Å; R239-G277 CarbonylContact C-O 3.01Å; R239-G277 VanDerWaalsContact CA-O 3.28Å; R239-G277 WeakPolarHBondContact CA-O 3.31Å; R239-G277 WeakPolarHBondContact CB-O 3.29Å; R239-T278 HydrophobicContact CB-CG2 4.49Å
240T91.3Very high92Very high89 Ų8966.6 Ų66.655%0.54638%0.382SS..EExtended strand (participates in β ladder)trans-96.4-26165.353.90000112G277 K279T240-G277 PolarHBondContact N-O 3.19Å; T240-G277 PolarHBondContact OG1-O 2.96Å; T240-G277 VanDerWaalsContact OG1-O 3.09Å; T240-K279 HydrophobicContact CG2-CD 4.48Å; T240-K279 HydrophobicContact CG2-CG 3.84Å
241S93.5Very high91.9Very high61 Ų6163.2 Ų63.243%0.42736%0.358SS..EExtended strand (participates in β ladder)trans-146.7152.617561.60000111G277S241-G277 PolarHBondContact N-O 3.19Å; S241-G277 PolarHBondContact O-N 3.43Å; S241-G277 WeakPolarHBondContact OG-CA 3.33Å; S241-G277 PolarHBondContact OG-N 3.18Å; S241-G277 VanDerWaalsContact OG-N 3.14Å
242W94.6Very high91.7Very high74 Ų7466.1 Ų66.128%0.2836%0.36SS..EExtended strand (participates in β ladder)trans-127.7105.8175.7-170.7-87.8000110L237 R239 V244 V276 L313 T315L237-W242 HydrophobicContact CD2-CZ3 4.04Å; R239-W242 HydrophobicContact CG-CE3 4.34Å; W242-V244 HydrophobicContact CZ2-CB 4.09Å; W242-V244 HydrophobicContact CZ2-CG2 4.46Å; W242-V244 PolarHBondContact NE1-O 3.21Å; W242-V276 HydrophobicContact CD2-CG2 4.49Å; W242-V276 HydrophobicContact CE3-CG1 4.19Å; W242-V276 HydrophobicContact CE3-CG2 3.99Å; W242-V276 HydrophobicContact CZ3-CG1 4.38Å; W242-V276 HydrophobicContact CZ3-CG2 4.03Å; W242-L313 HydrophobicContact CH2-CB 4.07Å; W242-L313 HydrophobicContact CZ2-CB 4.45Å; W242-T315 HydrophobicContact CD2-CG2 3.91Å; W242-T315 VanDerWaalsContact CE2-CG2 3.49Å; W242-T315 HydrophobicContact CE3-CG2 4.23Å; W242-T315 HydrophobicContact CH2-CG2 3.73Å; W242-T315 HydrophobicContact CZ2-CG2 3.41Å; W242-T315 VanDerWaalsContact CZ2-CG2 3.41Å; W242-T315 HydrophobicContact CZ3-CG2 4.14Å
243G94.2Very high91.6Very high32 Ų3266.3 Ų66.333%0.3335%0.35SS..  trans-105.5-3.6178.700000114.2K245 D275G243-K245 PolarHBondContact O-N 3.48Å; G243-D275 WeakPolarHBondContact CA-O 3.04Å; G243-D275 PolarHBondContact N-O 3.22Å
244V95.2Very high91.4Very high2 Ų266.6 Ų66.61%0.01235%0.352CS..  trans-76.1114.6-176.3-170.70000110.1W242 G273 V276 V326 F350W242-V244 HydrophobicContact CZ2-CB 4.09Å; W242-V244 HydrophobicContact CZ2-CG2 4.46Å; W242-V244 PolarHBondContact NE1-O 3.21Å; V244-G273 WeakPolarHBondContact CA-O 3.29Å; V244-V276 HydrophobicContact CG2-CG2 3.44Å; V244-V276 VanDerWaalsContact CG2-CG2 3.44Å; V244-V326 HydrophobicContact CG1-CB 4.47Å; V244-V326 HydrophobicContact CG1-CG1 4.47Å; V244-V326 HydrophobicContact CG1-CG2 3.47Å; V244-V326 VanDerWaalsContact CG1-CG2 3.47Å; V244-F350 HydrophobicContact CG2-CB 4.35Å; V244-F350 HydrophobicContact CG2-CD2 4.08Å
245K94.4Very high91Very high127 Ų12773.1 Ų73.155%0.55238%0.382SS*.EExtended strand (participates in β ladder)trans-155.8160.1-177.465.7-177.2179.9179.30111.2G243 G273G243-K245 PolarHBondContact O-N 3.48Å; K245-G273 PolarHBondContact N-O 2.89Å; K245-G273 VanDerWaalsContact N-O 3.11Å; K245-G273 PolarHBondContact O-N 2.9Å; K245-G273 VanDerWaalsContact O-O 3.14Å
246P94.5Very high90.4Very high49 Ų4979.9 Ų79.932%0.31842%0.415SS..EExtended strand (participates in β ladder)trans-71.3132.8166.730.3-33.4000109.8V270 D271 V272 W355P246-V270 HydrophobicContact CB-CG1 3.62Å; P246-D271 CarbonylContact C-O 3.54Å; P246-D271 WeakPolarHBondContact CA-O 3.42Å; P246-V272 HydrophobicContact CB-CG2 4.42Å; P246-W355 HydrophobicContact CB-CB 4.43Å; P246-W355 HydrophobicContact CB-CG 4.25Å; P246-W355 HydrophobicContact CG-CD2 4.05Å; P246-W355 HydrophobicContact CG-CG 3.89Å
247T93Very high89.5Confident68 Ų6880.1 Ų80.142%0.41743%0.427SS..EExtended strand (participates in β ladder)trans-119.2123.1173.9-57.40000108.6V270 D271T247-V270 WeakPolarHBondContact O-CA 3.24Å; T247-D271 PolarHBondContact N-O 3.36Å; T247-D271 PolarHBondContact O-N 3.07Å
248Q93.2Very high89Confident83 Ų8383.8 Ų83.839%0.38847%0.466SS..EExtended strand (participates in β ladder)trans-83115.7177.3-17969.171.100109.5P267 G268 T269 V270Q248-P267 HydrophobicContact CG-CB 4.45Å; Q248-G268 VanDerWaalsContact NE2-C 3.26Å; Q248-G268 PolarHBondContact NE2-O 2.79Å; Q248-T269 PolarHBondContact NE2-O 2.97Å; Q248-T269 VanDerWaalsContact NE2-O 3.07Å; Q248-V270 VanDerWaalsContact OE1-CG2 3.28Å
249N89.9Confident88.8Confident60 Ų6084.6 Ų84.632%0.32148%0.478SS..EExtended strand (participates in β ladder)trans-68.1140.5170.2-67.2-23.8000109.3G268 T269 D271N249-G268 WeakPolarHBondContact O-CA 3.46Å; N249-G268 PolarHBondContact O-N 2.93Å; N249-T269 WeakPolarHBondContact CB-O 3.42Å; N249-T269 PolarHBondContact N-O 3.21Å; N249-T269 PolarHBondContact ND2-OG1 2.87Å; N249-D271 PolarHBondContact ND2-OD2 2.78Å; N249-D271 PolarHBondContact OD1-OD2 2.84Å
250K91.5Very high88.6Confident157 Ų15793.1 Ų93.168%0.68351%0.511SS*.EExtended strand (participates in β ladder)trans-123.4130.3177.8-64.3-176.1-176.8178.40109.4A265 T266K250-A265 HydrophobicContact CB-CB 4.49Å; K250-T266 WeakPolarHBondContact CA-O 3.33Å
251G86.5Confident88.3Confident38 Ų3895.7 Ų95.739%0.39252%0.518SS..EExtended strand (participates in β ladder)trans-82.1125.7164.800000109.2A265 T266G251-A265 WeakPolarHBondContact O-CA 3.34Å; G251-A265 WeakPolarHBondContact O-CB 3.44Å; G251-T266 PolarHBondContact N-O 2.79Å; G251-T266 PolarHBondContact O-N 2.81Å
252E85.6Confident87.6Confident165 Ų16597.5 Ų97.577%0.77154%0.537SS*.  trans-69138170.7-62.6-177.9165.500109.6
253N83.1Confident87.1Confident50 Ų5097.5 Ų97.527%0.26754%0.54SS..  trans-99.7106.7170.7-175.9-4.3000108.9E255 Q263 G264N253-E255 VanDerWaalsContact C-N 3.29Å; N253-E255 PolarHBondContact O-N 3.04Å; N253-E255 WeakPolarHBondContact OD1-CB 3.33Å; N253-E255 WeakPolarHBondContact OD1-CG 3.42Å; N253-E255 PolarHBondContact OD1-N 3.14Å; N253-Q263 HydrophobicContact CB-CB 4.18Å; N253-G264 WeakPolarHBondContact CB-O 3.28Å
254N86.4Confident86.7Confident135 Ų13598.7 Ų98.772%0.72255%0.552SS**  trans-91.315.7-178.6-66.3-12.9000113.1
255E84.4Confident86.4Confident142 Ų142101.4 Ų101.466%0.66457%0.574SS**  trans-70.4144.9175-68.7174.7171.800112N253 Q263N253-E255 VanDerWaalsContact C-N 3.29Å; N253-E255 PolarHBondContact O-N 3.04Å; N253-E255 WeakPolarHBondContact OD1-CB 3.33Å; N253-E255 WeakPolarHBondContact OD1-CG 3.42Å; N253-E255 PolarHBondContact OD1-N 3.14Å; E255-Q263 WeakPolarHBondContact O-CG 3.49Å
256I81.3Confident86.2Confident167 Ų16799.6 Ų99.686%0.85657%0.574SS**  trans-100.1102.7-179.6-58175.8000108.7G258I256-G258 VanDerWaalsContact C-N 3.35Å; I256-G258 PolarHBondContact O-N 2.82Å
257G73.8Confident86Confident44 Ų44101.7 Ų101.745%0.45459%0.588SS.*  trans-8516.8-171.100000117S259G257-S259 PolarHBondContact O-N 3.35Å
258G82.1Confident85.8Confident81 Ų81100.7 Ų100.784%0.83559%0.591SS**SBendtrans66.6-16.817600000117I256I256-G258 VanDerWaalsContact C-N 3.35Å; I256-G258 PolarHBondContact O-N 2.82Å
259S85.6Confident85.8Confident74 Ų74101.2 Ų101.252%0.51760%0.6SS.*SBendtrans-98.3168.3169.273.70000110.9G257 M261G257-S259 PolarHBondContact O-N 3.35Å; S259-M261 PolarHBondContact O-N 2.98Å; S259-M261 PolarHBondContact OG-N 2.99Å
260R86.3Confident85.9Confident258 Ų258102 Ų10297%0.97461%0.607SS**SBendtrans-76.910.5174.9-68.8-170174.7-166-1114
261M85.5Confident86Confident143 Ų14398.4 Ų98.470%0.70460%0.595SS**SBendtrans-93.2135.5-178.1-57.7-59.4-67.800110.5S259 Q263S259-M261 PolarHBondContact O-N 2.98Å; S259-M261 PolarHBondContact OG-N 2.99Å; M261-Q263 PolarHBondContact O-NE2 2.95Å
262A79.7Confident86.4Confident98 Ų9897.4 Ų97.481%0.8158%0.581SS**PPolyproline II helixtrans-62.2143171.400000110.7
263Q82.7Confident86.8Confident75 Ų7590.4 Ų90.435%0.3555%0.553SS.*PPolyproline II helixtrans-77.9149.9176.5-62.1-53.8-64.400111.1N253 E255 M261N253-Q263 HydrophobicContact CB-CB 4.18Å; E255-Q263 WeakPolarHBondContact O-CG 3.49Å; M261-Q263 PolarHBondContact O-NE2 2.95Å
264G86.9Confident87.4Confident56 Ų5689.1 Ų89.158%0.57755%0.552SS**PPolyproline II helixtrans-69.3139.3-179.100000112.3N253N253-G264 WeakPolarHBondContact CB-O 3.28Å
265A88.1Confident87.8Confident59 Ų5986.4 Ų86.449%0.48854%0.537SS..PPolyproline II helixtrans-78.1149.5172.300000111.5K250 G251K250-A265 HydrophobicContact CB-CB 4.49Å; G251-A265 WeakPolarHBondContact O-CA 3.34Å; G251-A265 WeakPolarHBondContact O-CB 3.44Å
266T90.3Very high88.4Confident90 Ų9079.7 Ų79.755%0.55251%0.506SS*.EExtended strand (participates in β ladder)trans-94129.7176.9-500000110.3K250 G251 G268K250-T266 WeakPolarHBondContact CA-O 3.33Å; G251-T266 PolarHBondContact N-O 2.79Å; G251-T266 PolarHBondContact O-N 2.81Å; T266-G268 PolarHBondContact O-N 2.77Å
267P90.1Very high89Confident92 Ų9272 Ų7260%0.59747%0.468SS*.EExtended strand (participates in β ladder)trans-69.5131.2171.729.5-33.1000110.3Q248Q248-P267 HydrophobicContact CG-CB 4.45Å
268G89.8Confident89.9Confident48 Ų4869.9 Ų69.950%0.49545%0.446SS..EExtended strand (participates in β ladder)trans-98.6-140.4175.600000112.7Q248 N249 T266Q248-G268 VanDerWaalsContact NE2-C 3.26Å; Q248-G268 PolarHBondContact NE2-O 2.79Å; N249-G268 WeakPolarHBondContact O-CA 3.46Å; N249-G268 PolarHBondContact O-N 2.93Å; T266-G268 PolarHBondContact O-N 2.77Å
269T91.5Very high90.2Very high93 Ų9368.7 Ų68.757%0.57142%0.418SS*.EExtended strand (participates in β ladder)trans-75.6162.3174.256.70000111.9Q248 N249Q248-T269 PolarHBondContact NE2-O 2.97Å; Q248-T269 VanDerWaalsContact NE2-O 3.07Å; N249-T269 WeakPolarHBondContact CB-O 3.42Å; N249-T269 PolarHBondContact N-O 3.21Å; N249-T269 PolarHBondContact ND2-OG1 2.87Å
270V93Very high90.3Very high76 Ų7667.1 Ų67.146%0.46140%0.402SS..EExtended strand (participates in β ladder)trans-104122.1170.5178.20000107.9P246 T247 Q248 V272P246-V270 HydrophobicContact CB-CG1 3.62Å; T247-V270 WeakPolarHBondContact O-CA 3.24Å; Q248-V270 VanDerWaalsContact OE1-CG2 3.28Å; V270-V272 HydrophobicContact CG1-CG2 4.48Å
271D92.9Very high90.2Very high83 Ų8356.1 Ų56.144%0.44436%0.361SS..EExtended strand (participates in β ladder)trans-98.5131.6173-62.7-28.4000109.1P246 T247 N249P246-D271 CarbonylContact C-O 3.54Å; P246-D271 WeakPolarHBondContact CA-O 3.42Å; T247-D271 PolarHBondContact N-O 3.36Å; T247-D271 PolarHBondContact O-N 3.07Å; N249-D271 PolarHBondContact ND2-OD2 2.78Å; N249-D271 PolarHBondContact OD1-OD2 2.84Å
272V94.6Very high90Very high16 Ų1657.7 Ų57.710%0.09736%0.359CS..EExtended strand (participates in β ladder)trans-106.6118.8178.3-174.20000108.5P246 V270 V326 G352 W355P246-V272 HydrophobicContact CB-CG2 4.42Å; V270-V272 HydrophobicContact CG1-CG2 4.48Å; V272-V326 HydrophobicContact CG1-CB 4.45Å; V272-V326 HydrophobicContact CG1-CG1 3.65Å; V272-V326 HydrophobicContact CG1-CG2 4.19Å; V272-G352 PolarHBondContact O-N 3.35Å; V272-W355 HydrophobicContact CG1-CB 3.98Å; V272-W355 HydrophobicContact CG1-CE3 4.26Å; V272-W355 HydrophobicContact CG2-CB 3.77Å
273G94.2Very high90.1Very high18 Ų1854.2 Ų54.219%0.18633%0.333CS..EExtended strand (participates in β ladder)trans170.5-176.5-179.500000113.6V244 K245 F350V244-G273 WeakPolarHBondContact CA-O 3.29Å; K245-G273 PolarHBondContact N-O 2.89Å; K245-G273 VanDerWaalsContact N-O 3.11Å; K245-G273 PolarHBondContact O-N 2.9Å; K245-G273 VanDerWaalsContact O-O 3.14Å; G273-F350 CarbonylContact C-O 3.58Å; G273-F350 WeakPolarHBondContact CA-O 3.26Å
274G95.7Very high90.2Very high23 Ų2351.1 Ų51.124%0.23732%0.318CS..EExtended strand (participates in β ladder)trans141.9-176.3177.100000113F350G274-F350 PolarHBondContact N-O 2.94Å; G274-F350 PolarHBondContact O-N 3.08Å
275D96.2Very high90.3Very high78 Ų7848.5 Ų48.542%0.41729%0.291SS..EExtended strand (participates in β ladder)trans-95.7139.5-174.2-66.6-28.3000112.3G243 T347 V348 T349G243-D275 WeakPolarHBondContact CA-O 3.04Å; G243-D275 PolarHBondContact N-O 3.22Å; D275-T347 HydrophobicContact CB-CG2 3.87Å; D275-V348 CarbonylContact C-O 3.59Å; D275-V348 WeakPolarHBondContact CA-O 3.33Å; D275-T349 WeakPolarHBondContact OD1-CA 3.48Å; D275-T349 WeakPolarHBondContact OD1-CB 2.97Å; D275-T349 VanDerWaalsContact OD1-CG2 3.3Å; D275-T349 WeakPolarHBondContact OD1-CG2 3.46Å; D275-T349 PolarHBondContact OD1-OG1 3.09Å
276V95.9Very high90.4Very high1 Ų148.4 Ų48.41%0.00628%0.283CS..EExtended strand (participates in β ladder)trans-112.7115166.3-176.70000108.3L237 R239 W242 V244 T278 T347 V348 F350L237-V276 HydrophobicContact CD2-CG1 4.22Å; R239-V276 HydrophobicContact CB-CG1 3.76Å; W242-V276 HydrophobicContact CD2-CG2 4.49Å; W242-V276 HydrophobicContact CE3-CG1 4.19Å; W242-V276 HydrophobicContact CE3-CG2 3.99Å; W242-V276 HydrophobicContact CZ3-CG1 4.38Å; W242-V276 HydrophobicContact CZ3-CG2 4.03Å; V244-V276 HydrophobicContact CG2-CG2 3.44Å; V244-V276 VanDerWaalsContact CG2-CG2 3.44Å; V276-T278 HydrophobicContact CG1-CG2 4Å; V276-T347 WeakPolarHBondContact O-CA 3.49Å; V276-V348 PolarHBondContact N-O 3.33Å; V276-V348 PolarHBondContact O-N 2.93Å; V276-F350 HydrophobicContact CB-CD2 4.48Å; V276-F350 HydrophobicContact CB-CE2 4.12Å; V276-F350 HydrophobicContact CG2-CD2 3.83Å; V276-F350 HydrophobicContact CG2-CE2 3.77Å
277G94.2Very high90.5Very high5 Ų546.2 Ų46.25%0.05227%0.267CS..EExtended strand (participates in β ladder)trans-83.1136.5172.200000110.4R239 T240 S241R239-G277 CarbonylContact C-O 3.01Å; R239-G277 VanDerWaalsContact CA-O 3.28Å; R239-G277 WeakPolarHBondContact CA-O 3.31Å; R239-G277 WeakPolarHBondContact CB-O 3.29Å; T240-G277 PolarHBondContact N-O 3.19Å; T240-G277 PolarHBondContact OG1-O 2.96Å; T240-G277 VanDerWaalsContact OG1-O 3.09Å; S241-G277 PolarHBondContact N-O 3.19Å; S241-G277 PolarHBondContact O-N 3.43Å; S241-G277 WeakPolarHBondContact OG-CA 3.33Å; S241-G277 PolarHBondContact OG-N 3.18Å; S241-G277 VanDerWaalsContact OG-N 3.14Å
278T92Very high90.7Very high1 Ų141.9 Ų41.91%0.00624%0.239CC..EExtended strand (participates in β ladder)trans-141.2159.8179.666.10000110.7L237 R239 V276 H285 T345 A346L237-T278 HydrophobicContact CD1-CG2 4.1Å; R239-T278 HydrophobicContact CB-CG2 4.49Å; V276-T278 HydrophobicContact CG1-CG2 4Å; T278-H285 PolarHBondContact OG1-NE2 3.07Å; T278-T345 WeakPolarHBondContact O-CA 3.14Å; T278-A346 WeakPolarHBondContact CA-O 3.49Å; T278-A346 PolarHBondContact N-O 3.05Å; T278-A346 PolarHBondContact O-N 3.36Å; T278-A346 PolarHBondContact OG1-O 3.24Å
279K90.2Very high90.8Very high56 Ų5640.6 Ų40.624%0.24322%0.221CC..EExtended strand (participates in β ladder)trans-89.6137.2163.3-66-171.6170.5-168.60108.4T240 R281 H285 D343T240-K279 HydrophobicContact CG2-CD 4.48Å; T240-K279 HydrophobicContact CG2-CG 3.84Å; K279-R281 PolarHBondContact O-N 3.34Å; K279-R281 PolarHBondContact O-NH1 3.35Å; K279-H285 PolarHBondContact O-CE1 3.41Å; K279-D343 HydrophobicContact CD-CB 3.98Å; K279-D343 VanDerWaalsContact CD-OD2 3.3Å; K279-D343 WeakPolarHBondContact CD-OD2 3.2Å; K279-D343 WeakPolarHBondContact CE-OD2 3.18Å; K279-D343 HydrophobicContact CG-CB 4.46Å; K279-D343 IonicContact NZ-OD2 2.71Å; K279-D343 PolarHBondContact NZ-OD2 2.97Å
280F87.2Confident90.9Very high41 Ų4136.2 Ų36.218%0.1819%0.194CC..  trans-68.2129.1-176.2-166.2-112.3000110.6H285 W334 I344 A346 Y378F280-H285 AromaticContact CD2-ND1 3.84Å; F280-H285 HydrophobicContact CE2-CB 4.38Å; F280-W334 HydrophobicContact CD2-CZ2 4.02Å; F280-W334 HydrophobicContact CE2-CH2 4.07Å; F280-W334 AromaticContact CE2-CZ2 3.71Å; F280-W334 HydrophobicContact CE2-CZ2 3.71Å; F280-I344 HydrophobicContact CB-CB 3.89Å; F280-I344 HydrophobicContact CB-CG2 3.63Å; F280-I344 HydrophobicContact CD1-CG2 4.33Å; F280-I344 HydrophobicContact CG-CG2 4.13Å; F280-I344 PolarHBondContact N-O 3.48Å; F280-A346 HydrophobicContact CD2-CB 4.18Å; F280-Y378 AromaticContact CD1-CD2 3.42Å; F280-Y378 HydrophobicContact CD1-CD2 3.42Å; F280-Y378 VanDerWaalsContact CD1-CD2 3.42Å; F280-Y378 HydrophobicContact CD1-CE2 4.08Å; F280-Y378 HydrophobicContact CD1-CG 4.11Å; F280-Y378 AromaticContact CE1-CD2 3.8Å; F280-Y378 HydrophobicContact CE1-CD2 3.8Å; F280-Y378 AromaticContact CE1-CE2 3.99Å; F280-Y378 HydrophobicContact CE1-CE2 3.99Å; F280-Y378 HydrophobicContact CG-CD2 4.41Å; F280-Y378 PolarHBondContact O-N 2.94Å; F280-Y378 VanDerWaalsContact O-N 3.15Å
281R84.6Confident91Very high26 Ų2632.7 Ų32.710%0.09817%0.172CC..BIsolated β-bridgetrans-136.7148.4-177.6-67.4-173.5-173.780.20.2109.2K238 K279 G283 Q284 R377K238-R281 PolarHBondContact O-NH1 2.81Å; K238-R281 VanDerWaalsContact O-NH1 3.1Å; K279-R281 PolarHBondContact O-N 3.34Å; K279-R281 PolarHBondContact O-NH1 3.35Å; R281-G283 PolarHBondContact O-N 3.49Å; R281-Q284 HydrophobicContact CB-CB 4.15Å; R281-Q284 VanDerWaalsContact NH1-OE1 3.13Å; R281-R377 HydrophobicContact CG-CG 4.22Å
282W81Confident91.1Very high176 Ų17631 Ų3167%0.66717%0.166SC*.THydrogen-bonded Turntrans-65.1124178.1-174.274.8000110.5Q284 A373 Y378W282-Q284 VanDerWaalsContact C-N 3.3Å; W282-Q284 PolarHBondContact O-N 3.19Å; W282-A373 WeakPolarHBondContact O-CB 3.34Å; W282-Y378 HydrophobicContact CB-CE2 3.74Å; W282-Y378 WeakPolarHBondContact CB-OH 3.48Å
283G82.2Confident91Very high26 Ų2632.9 Ų32.927%0.26817%0.174SC..THydrogen-bonded Turntrans79.5-8173.700000116.7R281R281-G283 PolarHBondContact O-N 3.49Å
284Q84.3Confident91Very high10 Ų1032.4 Ų32.45%0.04717%0.169CC..THydrogen-bonded Turntrans-79.4-29.2-180-178.5165.446.400112.8L236 R281 W282 A373L236-Q284 PolarHBondContact O-NE2 3.03Å; R281-Q284 HydrophobicContact CB-CB 4.15Å; R281-Q284 VanDerWaalsContact NH1-OE1 3.13Å; W282-Q284 VanDerWaalsContact C-N 3.3Å; W282-Q284 PolarHBondContact O-N 3.19Å; Q284-A373 HydrophobicContact CB-CB 3.95Å
285H88.3Confident90.9Very high0 Ų031.8 Ų31.80%016%0.161CC..SBendtrans-103.7-5.3-169.6-60.592.9000113.7T278 K279 F280 D287 F288 L289T278-H285 PolarHBondContact OG1-NE2 3.07Å; K279-H285 PolarHBondContact O-CE1 3.41Å; F280-H285 AromaticContact CD2-ND1 3.84Å; F280-H285 HydrophobicContact CE2-CB 4.38Å; H285-D287 VanDerWaalsContact C-N 3.28Å; H285-D287 PolarHBondContact O-N 3.5Å; H285-F288 WeakPolarHBondContact O-CA 3.41Å; H285-F288 WeakPolarHBondContact O-CB 3.5Å; H285-F288 PolarHBondContact O-N 3.2Å; H285-L289 PolarHBondContact O-N 3.33Å
286D90.8Very high90.8Very high58 Ų5832.1 Ų32.131%0.3116%0.16SC..Hα-helixtrans-60.4-39.3-172.7-615000111.4F288 L289 A290 W297D286-F288 PolarHBondContact O-N 3.48Å; D286-L289 WeakPolarHBondContact O-CB 3.44Å; D286-L289 PolarHBondContact O-N 2.99Å; D286-A290 PolarHBondContact O-N 3.37Å; D286-W297 HydrophobicContact CB-CZ2 4.5Å; D286-W297 PolarHBondContact O-NE1 2.97Å
287D92.3Very high90.7Very high43 Ų4336.3 Ų36.323%0.2318%0.176CC..Hα-helixtrans-62-42.6173.7-79.1-8.3000112.4F219 R221 H285 L289 A290 S291 F311F219-D287 HydrophobicContact CE2-CB 3.98Å; R221-D287 IonicContact CZ-OD1 3.16Å; R221-D287 IonicContact NE-OD1 3.67Å; R221-D287 PolarHBondContact NE-OD1 3.05Å; R221-D287 IonicContact NE-OD2 2.84Å; R221-D287 PolarHBondContact NE-OD2 3.45Å; R221-D287 IonicContact NH2-OD1 2.71Å; R221-D287 PolarHBondContact NH2-OD1 3.38Å; H285-D287 VanDerWaalsContact C-N 3.28Å; H285-D287 PolarHBondContact O-N 3.5Å; D287-L289 VanDerWaalsContact C-N 3.31Å; D287-L289 PolarHBondContact O-N 3.44Å; D287-A290 WeakPolarHBondContact O-CB 3.31Å; D287-A290 PolarHBondContact O-N 2.89Å; D287-S291 PolarHBondContact O-N 3.34Å; D287-F311 HydrophobicContact CB-CE1 3.93Å; D287-F311 HydrophobicContact CB-CZ 4.13Å; D287-F311 WeakPolarHBondContact O-CZ 3.39Å
288F93.4Very high90.7Very high1 Ų140.8 Ų40.80%0.00421%0.206CC..Hα-helixtrans-68.7-33.2177.2-57.7-38000112F219 L237 H285 D286 S291 C292 F311 V331 V348 F350F219-F288 HydrophobicContact CD1-CE1 4.36Å; F219-F288 AromaticContact CD1-CZ 3.68Å; F219-F288 HydrophobicContact CD1-CZ 3.68Å; F219-F288 AromaticContact CD2-CE1 3.84Å; F219-F288 HydrophobicContact CD2-CE1 3.84Å; F219-F288 AromaticContact CD2-CZ 3.97Å; F219-F288 HydrophobicContact CD2-CZ 3.97Å; F219-F288 HydrophobicContact CE1-CE1 4.48Å; F219-F288 HydrophobicContact CE1-CE2 4.2Å; F219-F288 AromaticContact CE1-CZ 3.69Å; F219-F288 HydrophobicContact CE1-CZ 3.69Å; F219-F288 AromaticContact CE2-CE1 3.99Å; F219-F288 HydrophobicContact CE2-CE1 3.99Å; F219-F288 AromaticContact CE2-CZ 4Å; F219-F288 HydrophobicContact CE2-CZ 4Å; F219-F288 HydrophobicContact CG-CE1 4.03Å; F219-F288 AromaticContact CG-CZ 3.8Å; F219-F288 HydrophobicContact CG-CZ 3.8Å; F219-F288 HydrophobicContact CZ-CE1 4.3Å; F219-F288 HydrophobicContact CZ-CE2 4.34Å; F219-F288 AromaticContact CZ-CZ 3.85Å; F219-F288 HydrophobicContact CZ-CZ 3.85Å; L237-F288 HydrophobicContact CD1-CE2 3.79Å; L237-F288 HydrophobicContact CD1-CZ 4.19Å; L237-F288 HydrophobicContact CD2-CE2 4.41Å; L237-F288 HydrophobicContact CD2-CZ 4.11Å; H285-F288 WeakPolarHBondContact O-CA 3.41Å; H285-F288 WeakPolarHBondContact O-CB 3.5Å; H285-F288 PolarHBondContact O-N 3.2Å; D286-F288 PolarHBondContact O-N 3.48Å; F288-S291 PolarHBondContact O-N 3.49Å; F288-C292 WeakPolarHBondContact O-CB 3.37Å; F288-C292 PolarHBondContact O-N 2.95Å; F288-F311 HydrophobicContact CD1-CD2 4.21Å; F288-F311 AromaticContact CD1-CE2 3.85Å; F288-F311 HydrophobicContact CD1-CE2 3.85Å; F288-F311 HydrophobicContact CD1-CZ 4.07Å; F288-F311 HydrophobicContact CE1-CD2 4.27Å; F288-F311 HydrophobicContact CE1-CE2 4.32Å; F288-F311 HydrophobicContact CE1-CG 4.44Å; F288-V331 HydrophobicContact CB-CG2 3.99Å; F288-V331 HydrophobicContact CD1-CG2 4.17Å; F288-V331 HydrophobicContact CG-CG2 4.42Å; F288-V348 HydrophobicContact CB-CG1 4.22Å; F288-V348 HydrophobicContact CD2-CG2 4.15Å; F288-V348 HydrophobicContact CG-CG1 4.32Å; F288-F350 AromaticContact CD1-CE1 3.95Å; F288-F350 HydrophobicContact CD1-CE1 3.95Å; F288-F350 AromaticContact CD1-CZ 3.77Å; F288-F350 HydrophobicContact CD1-CZ 3.77Å; F288-F350 AromaticContact CE1-CE1 3.95Å; F288-F350 HydrophobicContact CE1-CE1 3.95Å; F288-F350 AromaticContact CE1-CZ 3.6Å; F288-F350 HydrophobicContact CE1-CZ 3.6Å; F288-F350 HydrophobicContact CE2-CZ 4.44Å; F288-F350 HydrophobicContact CG-CZ 4.29Å; F288-F350 AromaticContact CZ-CZ 3.96Å; F288-F350 HydrophobicContact CZ-CZ 3.96Å
289L92.5Very high90.6Very high22 Ų2243.9 Ų43.912%0.11524%0.238CC..Hα-helixtrans-65.9-43.9172.1-69.9170.3000110.8H285 D286 D287 S291 C292 F293 W297 L302 W334H285-L289 PolarHBondContact O-N 3.33Å; D286-L289 WeakPolarHBondContact O-CB 3.44Å; D286-L289 PolarHBondContact O-N 2.99Å; D287-L289 VanDerWaalsContact C-N 3.31Å; D287-L289 PolarHBondContact O-N 3.44Å; L289-S291 VanDerWaalsContact C-N 3.31Å; L289-S291 PolarHBondContact O-N 2.91Å; L289-C292 PolarHBondContact O-N 2.88Å; L289-C292 VanDerWaalsContact O-N 3.11Å; L289-F293 HydrophobicContact CD2-CE2 4.34Å; L289-F293 VanDerWaalsContact O-CD2 3.3Å; L289-F293 WeakPolarHBondContact O-CD2 3.45Å; L289-F293 PolarHBondContact O-N 3.19Å; L289-W297 HydrophobicContact CB-CZ2 3.98Å; L289-W297 HydrophobicContact CD1-CZ2 3.92Å; L289-L302 HydrophobicContact CB-CD2 3.86Å; L289-W334 HydrophobicContact CD2-CD2 3.79Å; L289-W334 HydrophobicContact CD2-CE3 3.95Å; L289-W334 HydrophobicContact CD2-CG 4.15Å; L289-W334 HydrophobicContact CD2-CH2 4.35Å; L289-W334 HydrophobicContact CD2-CZ2 4.28Å; L289-W334 HydrophobicContact CD2-CZ3 4.22Å
290A93.9Very high90.5Very high0 Ų049.2 Ų49.20%027%0.27CS..Hα-helixtrans-56.5-45.3174.800000111.7D286 D287 C292 F293 G294 A295 I309D286-A290 PolarHBondContact O-N 3.37Å; D287-A290 WeakPolarHBondContact O-CB 3.31Å; D287-A290 PolarHBondContact O-N 2.89Å; A290-C292 PolarHBondContact O-N 3.42Å; A290-F293 PolarHBondContact O-N 3.44Å; A290-G294 WeakPolarHBondContact O-CA 3.36Å; A290-G294 PolarHBondContact O-N 2.95Å; A290-A295 CarbonylContact C-O 3.56Å; A290-A295 WeakPolarHBondContact CA-O 3.26Å; A290-A295 VanDerWaalsContact CB-O 3.26Å; A290-A295 WeakPolarHBondContact CB-O 3.23Å; A290-A295 PolarHBondContact O-N 3.19Å; A290-A295 VanDerWaalsContact O-N 3.15Å; A290-I309 HydrophobicContact CB-CD1 4Å
291S95Very high90.7Very high2 Ų250.5 Ų50.51%0.01428%0.284CS..Hα-helixtrans-65.4-36.8175.1-178.30000114D287 F288 L289 I309 F311 V331D287-S291 PolarHBondContact O-N 3.34Å; F288-S291 PolarHBondContact O-N 3.49Å; L289-S291 VanDerWaalsContact C-N 3.31Å; L289-S291 PolarHBondContact O-N 2.91Å; S291-I309 WeakPolarHBondContact CB-O 3.37Å; S291-I309 PolarHBondContact OG-O 3.38Å; S291-F311 VanDerWaalsContact CB-CE2 3.42Å; S291-V331 PolarHBondContact OG-N 3.36Å
292C93.7Very high91Very high47 Ų4750.9 Ų50.932%0.31829%0.288SS..Hα-helixtrans-69.7-36.3178.2-169.90000112.6F288 L289 A290 V331 W334F288-C292 WeakPolarHBondContact O-CB 3.37Å; F288-C292 PolarHBondContact O-N 2.95Å; L289-C292 PolarHBondContact O-N 2.88Å; L289-C292 VanDerWaalsContact O-N 3.11Å; A290-C292 PolarHBondContact O-N 3.42Å; C292-V331 HydrophobicContact CB-CB 4.33Å; C292-V331 HydrophobicContact CB-CG1 3.85Å; C292-W334 HydrophobicContact CB-CB 4.42Å
293F93.3Very high91.5Very high57 Ų5746.7 Ų46.725%0.2528%0.281CS..Hα-helixtrans-89.6-11.7179.1-77.7-110.1000112.8L289 A290 A295 L302 M304 G305L289-F293 HydrophobicContact CD2-CE2 4.34Å; L289-F293 VanDerWaalsContact O-CD2 3.3Å; L289-F293 WeakPolarHBondContact O-CD2 3.45Å; L289-F293 PolarHBondContact O-N 3.19Å; A290-F293 PolarHBondContact O-N 3.44Å; F293-A295 VanDerWaalsContact C-N 3.35Å; F293-L302 HydrophobicContact CB-CD1 4.23Å; F293-L302 HydrophobicContact CB-CD2 3.88Å; F293-L302 HydrophobicContact CB-CG 3.97Å; F293-L302 HydrophobicContact CD1-CD2 4.17Å; F293-L302 HydrophobicContact CD1-CG 4.22Å; F293-L302 HydrophobicContact CD2-CD2 3.51Å; F293-L302 HydrophobicContact CD2-CG 4.37Å; F293-L302 HydrophobicContact CE2-CD2 4.05Å; F293-L302 HydrophobicContact CG-CD2 3.59Å; F293-L302 HydrophobicContact CG-CG 3.95Å; F293-M304 HydrophobicContact CB-SD 4.41Å; F293-M304 HydrophobicContact CD1-CE 3.46Å; F293-M304 VanDerWaalsContact CD1-CE 3.46Å; F293-M304 HydrophobicContact CD1-CG 4.39Å; F293-M304 HydrophobicContact CD1-SD 3.32Å; F293-M304 WeakPolarHBondContact CD1-SD 3.45Å; F293-M304 HydrophobicContact CE1-CE 3.26Å; F293-M304 HydrophobicContact CE1-SD 3.84Å; F293-M304 HydrophobicContact CG-SD 4.11Å; F293-M304 HydrophobicContact CZ-CE 4.22Å; F293-G305 PolarHBondContact O-N 2.95Å
294G93.9Very high92.1Very high8 Ų852.1 Ų52.18%0.08230%0.302CS..THydrogen-bonded Turntrans67.233.1-17900000113.2A290 G305 N306 E307A290-G294 WeakPolarHBondContact O-CA 3.36Å; A290-G294 PolarHBondContact O-N 2.95Å; G294-G305 CarbonylContact O-C 3.53Å; G294-G305 WeakPolarHBondContact O-CA 3.28Å; G294-N306 PolarHBondContact O-N 3.26Å; G294-N306 VanDerWaalsContact O-N 3.08Å; G294-E307 WeakPolarHBondContact CA-O 3.24Å; G294-E307 VanDerWaalsContact O-CB 3.32Å; G294-E307 WeakPolarHBondContact O-CB 3.11Å; G294-E307 PolarHBondContact O-N 2.92Å
295A94.9Very high92.5Very high9 Ų953 Ų537%0.07431%0.314CS..SBendtrans-152.5151.217800000110.9A290 F293 L302 T303A290-A295 CarbonylContact C-O 3.56Å; A290-A295 WeakPolarHBondContact CA-O 3.26Å; A290-A295 VanDerWaalsContact CB-O 3.26Å; A290-A295 WeakPolarHBondContact CB-O 3.23Å; A290-A295 PolarHBondContact O-N 3.19Å; A290-A295 VanDerWaalsContact O-N 3.15Å; F293-A295 VanDerWaalsContact C-N 3.35Å; A295-L302 HydrophobicContact CB-CD1 4.49Å; A295-L302 VanDerWaalsContact O-CD1 3.28Å; A295-L302 WeakPolarHBondContact O-CD1 3.46Å; A295-T303 WeakPolarHBondContact CB-O 3.48Å
296E94.3Very high92.7Very high86 Ų8661.3 Ų61.340%0.40236%0.358SS..  trans-73.8153.4169.5-63.6-61.4171.100113.2R221R221-E296 IonicContact CZ-OE1 3.41Å; R221-E296 IonicContact CZ-OE2 3.5Å; R221-E296 IonicContact NH1-OE1 3.05Å; R221-E296 PolarHBondContact NH1-OE1 3.12Å; R221-E296 IonicContact NH1-OE2 2.8Å; R221-E296 PolarHBondContact NH1-OE2 2.94Å; R221-E296 IonicContact NH2-OE2 2.89Å; R221-E296 PolarHBondContact NH2-OE2 3.39Å
297W93.1Very high92.8Very high89 Ų8963.6 Ų63.634%0.33737%0.367SS..  trans-66.7136.4169.9-70.988.5000111D286 L289 L302D286-W297 HydrophobicContact CB-CZ2 4.5Å; D286-W297 PolarHBondContact O-NE1 2.97Å; L289-W297 HydrophobicContact CB-CZ2 3.98Å; L289-W297 HydrophobicContact CD1-CZ2 3.92Å; W297-L302 HydrophobicContact CD2-CB 3.95Å; W297-L302 HydrophobicContact CD2-CD1 4.29Å; W297-L302 HydrophobicContact CE3-CB 3.76Å; W297-L302 HydrophobicContact CG-CD1 4.38Å; W297-L302 HydrophobicContact CH2-CB 3.8Å; W297-L302 HydrophobicContact CH2-CD2 4.22Å; W297-L302 HydrophobicContact CZ2-CB 3.99Å; W297-L302 HydrophobicContact CZ2-CD2 3.71Å; W297-L302 HydrophobicContact CZ2-CG 4.38Å; W297-L302 HydrophobicContact CZ3-CB 3.68Å
298S93.5Very high92.9Very high98 Ų9868.3 Ų68.369%0.68538%0.382SS*.BIsolated β-bridgetrans-116.898.1168.1-175.10000108.9D300 S301S298-D300 PolarHBondContact O-N 3.31Å; S298-S301 PolarHBondContact N-O 3.35Å; S298-S301 PolarHBondContact O-N 3.37Å; S298-S301 VanDerWaalsContact O-N 3.16Å
299G90.6Very high92.9Very high66 Ų6668.9 Ų68.968%0.6839%0.385SS*.THydrogen-bonded Turntrans57.8-128.5-165.300000110.4S301G299-S301 VanDerWaalsContact C-N 3.31Å; G299-S301 PolarHBondContact O-N 2.91Å
300D88.4Confident93.1Very high168 Ų16868 Ų6890%0.89838%0.38SS*.THydrogen-bonded Turntrans-90.312.1179.6-58-38000113.7S298S298-D300 PolarHBondContact O-N 3.31Å
301S90.5Very high93.2Very high69 Ų6968 Ų6848%0.48338%0.38SS..BIsolated β-bridgetrans-112.2125.6-177.1-175.30000111.4S298 G299S298-S301 PolarHBondContact N-O 3.35Å; S298-S301 PolarHBondContact O-N 3.37Å; S298-S301 VanDerWaalsContact O-N 3.16Å; G299-S301 VanDerWaalsContact C-N 3.31Å; G299-S301 PolarHBondContact O-N 2.91Å
302L91Very high93.3Very high33 Ų3367.9 Ų67.917%0.17338%0.379CS..  trans-112.7126.1170.2-175.863.9000109.6L289 F293 A295 W297L289-L302 HydrophobicContact CB-CD2 3.86Å; F293-L302 HydrophobicContact CB-CD1 4.23Å; F293-L302 HydrophobicContact CB-CD2 3.88Å; F293-L302 HydrophobicContact CB-CG 3.97Å; F293-L302 HydrophobicContact CD1-CD2 4.17Å; F293-L302 HydrophobicContact CD1-CG 4.22Å; F293-L302 HydrophobicContact CD2-CD2 3.51Å; F293-L302 HydrophobicContact CD2-CG 4.37Å; F293-L302 HydrophobicContact CE2-CD2 4.05Å; F293-L302 HydrophobicContact CG-CD2 3.59Å; F293-L302 HydrophobicContact CG-CG 3.95Å; A295-L302 HydrophobicContact CB-CD1 4.49Å; A295-L302 VanDerWaalsContact O-CD1 3.28Å; A295-L302 WeakPolarHBondContact O-CD1 3.46Å; W297-L302 HydrophobicContact CD2-CB 3.95Å; W297-L302 HydrophobicContact CD2-CD1 4.29Å; W297-L302 HydrophobicContact CE3-CB 3.76Å; W297-L302 HydrophobicContact CG-CD1 4.38Å; W297-L302 HydrophobicContact CH2-CB 3.8Å; W297-L302 HydrophobicContact CH2-CD2 4.22Å; W297-L302 HydrophobicContact CZ2-CB 3.99Å; W297-L302 HydrophobicContact CZ2-CD2 3.71Å; W297-L302 HydrophobicContact CZ2-CG 4.38Å; W297-L302 HydrophobicContact CZ3-CB 3.68Å
303T92.2Very high93.5Very high88 Ų8865.7 Ų65.754%0.5437%0.365SS..  trans-113.4161.7177.855.70000110.9A295 G305A295-T303 WeakPolarHBondContact CB-O 3.48Å; T303-G305 PolarHBondContact O-N 3.45Å
304M93.2Very high93.6Very high140 Ų14063 Ų6369%0.6935%0.353SS*.  trans-69131.8171.6-61.2-65.3176.100110.1F293F293-M304 HydrophobicContact CB-SD 4.41Å; F293-M304 HydrophobicContact CD1-CE 3.46Å; F293-M304 VanDerWaalsContact CD1-CE 3.46Å; F293-M304 HydrophobicContact CD1-CG 4.39Å; F293-M304 HydrophobicContact CD1-SD 3.32Å; F293-M304 WeakPolarHBondContact CD1-SD 3.45Å; F293-M304 HydrophobicContact CE1-CE 3.26Å; F293-M304 HydrophobicContact CE1-SD 3.84Å; F293-M304 HydrophobicContact CG-SD 4.11Å; F293-M304 HydrophobicContact CZ-CE 4.22Å
305G92.8Very high93.7Very high30 Ų3063.5 Ų63.531%0.30935%0.354SS..  trans-136.4-171.5174.100000112F293 G294 T303F293-G305 PolarHBondContact O-N 2.95Å; G294-G305 CarbonylContact O-C 3.53Å; G294-G305 WeakPolarHBondContact O-CA 3.28Å; T303-G305 PolarHBondContact O-N 3.45Å
306N93.6Very high93.7Very high174 Ų17464.9 Ų64.993%0.9336%0.358SS*.  trans-124.818.9-179.4-70.2-28.6000112G294G294-N306 PolarHBondContact O-N 3.26Å; G294-N306 VanDerWaalsContact O-N 3.08Å
307E92.8Very high93.7Very high106 Ų10661.6 Ų61.650%0.49535%0.346SS..  trans-76.5138.5178.6-60-177.3158.200110.6G294 I309G294-E307 WeakPolarHBondContact CA-O 3.24Å; G294-E307 VanDerWaalsContact O-CB 3.32Å; G294-E307 WeakPolarHBondContact O-CB 3.11Å; G294-E307 PolarHBondContact O-N 2.92Å; E307-I309 HydrophobicContact CB-CG1 4.34Å; E307-I309 PolarHBondContact O-N 3.47Å
308R93.6Very high93.5Very high142 Ų14259.9 Ų59.954%0.53635%0.347SS..  trans-92.997.6174.3-174.9-179.7-177.2178.91.9109.2T310R308-T310 HydrophobicContact CG-CG2 4.01Å
309I94.8Very high93.3Very high13 Ų1359.3 Ų59.37%0.06734%0.336CS..  trans-100.2116.8176.5-57.6168.9000108.2A290 S291 E307 F311A290-I309 HydrophobicContact CB-CD1 4Å; S291-I309 WeakPolarHBondContact CB-O 3.37Å; S291-I309 PolarHBondContact OG-O 3.38Å; E307-I309 HydrophobicContact CB-CG1 4.34Å; E307-I309 PolarHBondContact O-N 3.47Å; I309-F311 HydrophobicContact CG2-CE1 4.35Å; I309-F311 HydrophobicContact CG2-CE2 4.46Å; I309-F311 HydrophobicContact CG2-CZ 3.88Å
310T96.5Very high93.2Very high3 Ų360.8 Ų60.82%0.01833%0.332CS..  trans-121.7159.2-179.360.10000112.3E222 A225 R308 A329 Q330E222-T310 PolarHBondContact N-O 3.01Å; E222-T310 WeakPolarHBondContact OE2-CB 3.37Å; E222-T310 PolarHBondContact OE2-OG1 2.9Å; A225-T310 WeakPolarHBondContact CA-OG1 3.45Å; A225-T310 HydrophobicContact CB-CG2 4.07Å; R308-T310 HydrophobicContact CG-CG2 4.01Å; T310-A329 CarbonylContact C-O 3.47Å; T310-A329 WeakPolarHBondContact CA-O 3.4Å; T310-Q330 HydrophobicContact CG2-CB 4.23Å
311F96.5Very high93.4Very high0 Ų052.8 Ų52.80%029%0.289CS..EExtended strand (participates in β ladder)trans-127.3151.7-178.5-50.2-82.4000111.7F219 I220 R221 D287 F288 S291 I309 L313 G328 A329 V331 F350F219-F311 AromaticContact CD2-CD1 3.97Å; F219-F311 HydrophobicContact CD2-CD1 3.97Å; F219-F311 HydrophobicContact CD2-CE1 4.41Å; I220-F311 CarbonylContact O-C 3.57Å; I220-F311 VanDerWaalsContact O-CA 3.28Å; I220-F311 WeakPolarHBondContact O-CA 3.18Å; R221-F311 HydrophobicContact CB-CD1 4.4Å; R221-F311 HydrophobicContact CB-CE1 4.47Å; R221-F311 HydrophobicContact CG-CD1 3.73Å; R221-F311 HydrophobicContact CG-CE1 3.4Å; D287-F311 HydrophobicContact CB-CE1 3.93Å; D287-F311 HydrophobicContact CB-CZ 4.13Å; D287-F311 WeakPolarHBondContact O-CZ 3.39Å; F288-F311 HydrophobicContact CD1-CD2 4.21Å; F288-F311 AromaticContact CD1-CE2 3.85Å; F288-F311 HydrophobicContact CD1-CE2 3.85Å; F288-F311 HydrophobicContact CD1-CZ 4.07Å; F288-F311 HydrophobicContact CE1-CD2 4.27Å; F288-F311 HydrophobicContact CE1-CE2 4.32Å; F288-F311 HydrophobicContact CE1-CG 4.44Å; S291-F311 VanDerWaalsContact CB-CE2 3.42Å; I309-F311 HydrophobicContact CG2-CE1 4.35Å; I309-F311 HydrophobicContact CG2-CE2 4.46Å; I309-F311 HydrophobicContact CG2-CZ 3.88Å; F311-L313 HydrophobicContact CB-CD2 4.08Å; F311-G328 PolarHBondContact O-N 3.43Å; F311-A329 WeakPolarHBondContact CD2-O 3.38Å; F311-A329 PolarHBondContact N-O 3.08Å; F311-A329 VanDerWaalsContact O-CB 3.25Å; F311-A329 WeakPolarHBondContact O-CB 3.38Å; F311-A329 PolarHBondContact O-N 2.96Å; F311-V331 HydrophobicContact CE2-CG2 4.23Å; F311-F350 HydrophobicContact CD2-CE1 4.26Å
312S97.1Very high93.5Very high0 Ų053.6 Ų53.60%029%0.287CS..EExtended strand (participates in β ladder)trans-93.7119.2157.7-78.80000107.9F219 I220 E222 T228 W234 V326F219-S312 VanDerWaalsContact CA-O 3.28Å; F219-S312 WeakPolarHBondContact CA-O 3.41Å; I220-S312 PolarHBondContact N-O 2.9Å; I220-S312 PolarHBondContact O-N 3.31Å; E222-S312 PolarHBondContact OE1-N 3.25Å; E222-S312 PolarHBondContact OE1-OG 2.83Å; T228-S312 WeakPolarHBondContact CA-OG 3.13Å; T228-S312 WeakPolarHBondContact CB-OG 3.4Å; T228-S312 PolarHBondContact OG1-OG 3.46Å; W234-S312 WeakPolarHBondContact CZ3-O 3.18Å; S312-V326 CarbonylContact C-O 3.59Å; S312-V326 WeakPolarHBondContact CA-O 3.33Å
313L96.3Very high93.7Very high1 Ų152 Ų521%0.00528%0.279CS..EExtended strand (participates in β ladder)trans-104.8120.5178.4-55.6177.4000109F219 W242 F311 V325 V326 A329 F350F219-L313 HydrophobicContact CB-CD2 3.47Å; F219-L313 VanDerWaalsContact CB-CD2 3.47Å; F219-L313 HydrophobicContact CG-CD2 4.5Å; W242-L313 HydrophobicContact CH2-CB 4.07Å; W242-L313 HydrophobicContact CZ2-CB 4.45Å; F311-L313 HydrophobicContact CB-CD2 4.08Å; L313-V325 CarbonylContact O-C 3.59Å; L313-V325 VanDerWaalsContact O-CA 3.26Å; L313-V325 WeakPolarHBondContact O-CA 3.43Å; L313-V326 HydrophobicContact CB-CB 4.24Å; L313-V326 PolarHBondContact N-O 3.49Å; L313-V326 PolarHBondContact O-N 3.37Å; L313-A329 HydrophobicContact CD1-CB 3.74Å; L313-A329 HydrophobicContact CG-CB 3.82Å; L313-F350 HydrophobicContact CD1-CB 4.22Å; L313-F350 HydrophobicContact CD1-CD1 3.78Å; L313-F350 HydrophobicContact CD1-CD2 3.74Å; L313-F350 HydrophobicContact CD1-CE1 3.98Å; L313-F350 HydrophobicContact CD1-CE2 3.95Å; L313-F350 HydrophobicContact CD1-CG 3.64Å; L313-F350 HydrophobicContact CD1-CZ 4.06Å; L313-F350 HydrophobicContact CD2-CE1 4.27Å; L313-F350 HydrophobicContact CD2-CZ 4.23Å
314A96.3Very high93.9Very high0 Ų048.4 Ų48.40%026%0.257CS..EExtended strand (participates in β ladder)trans-118.8145.4-178.400000112.2S217 A218 W234 S324 V325 F364 I365S217-A314 CarbonylContact C-O 3.57Å; S217-A314 WeakPolarHBondContact CA-O 3.37Å; A218-A314 PolarHBondContact N-O 3Å; A218-A314 PolarHBondContact O-N 2.82Å; W234-A314 HydrophobicContact CE3-CB 4.32Å; W234-A314 HydrophobicContact CH2-CB 3.7Å; W234-A314 HydrophobicContact CZ3-CB 3.47Å; W234-A314 VanDerWaalsContact CZ3-CB 3.47Å; A314-S324 CarbonylContact C-O 3.44Å; A314-S324 VanDerWaalsContact CA-O 3.26Å; A314-S324 WeakPolarHBondContact CA-O 3.32Å; A314-V325 HydrophobicContact CB-CB 4.35Å; A314-V325 HydrophobicContact CB-CG2 4.24Å; A314-F364 HydrophobicContact CB-CB 4.17Å; A314-I365 HydrophobicContact CB-CD1 4.32Å; A314-I365 HydrophobicContact CB-CG1 3.7Å
315T95.8Very high94Very high19 Ų1941.8 Ų41.812%0.11723%0.225CC..EExtended strand (participates in β ladder)trans-126.5147.2167.375.30000110.8I216 W242 A323 S324I216-T315 CarbonylContact O-C 3.51Å; I216-T315 VanDerWaalsContact O-CA 3.25Å; I216-T315 WeakPolarHBondContact O-CA 3.02Å; W242-T315 HydrophobicContact CD2-CG2 3.91Å; W242-T315 VanDerWaalsContact CE2-CG2 3.49Å; W242-T315 HydrophobicContact CE3-CG2 4.23Å; W242-T315 HydrophobicContact CH2-CG2 3.73Å; W242-T315 HydrophobicContact CZ2-CG2 3.41Å; W242-T315 VanDerWaalsContact CZ2-CG2 3.41Å; W242-T315 HydrophobicContact CZ3-CG2 4.14Å; T315-A323 VanDerWaalsContact O-CA 3.31Å; T315-A323 WeakPolarHBondContact O-CA 3.45Å; T315-S324 PolarHBondContact N-O 2.84Å; T315-S324 PolarHBondContact O-N 3.12Å; T315-S324 PolarHBondContact OG1-OG 2.9Å
316Y95.5Very high94.2Very high37 Ų3740.4 Ų40.415%0.14521%0.21CC..EExtended strand (participates in β ladder)trans-140.6121.9175.2179.4-120.1000110.2V215 I216 A323 D361 N363V215-Y316 WeakPolarHBondContact CA-O 3.46Å; I216-Y316 PolarHBondContact N-O 2.72Å; I216-Y316 PolarHBondContact O-N 2.99Å; Y316-A323 HydrophobicContact CD2-CB 3.86Å; Y316-D361 PolarHBondContact OH-O 3.18Å; Y316-N363 WeakPolarHBondContact CB-ND2 3.47Å; Y316-N363 HydrophobicContact CD1-CB 4.18Å; Y316-N363 WeakPolarHBondContact CD1-ND2 3.44Å; Y316-N363 HydrophobicContact CD2-CB 4.21Å; Y316-N363 HydrophobicContact CE1-CB 4.45Å; Y316-N363 HydrophobicContact CE2-CB 4.46Å; Y316-N363 HydrophobicContact CG-CB 4.04Å
317A93.2Very high94.3Very high18 Ų1833.8 Ų33.815%0.14917%0.172CC..EExtended strand (participates in β ladder)trans-99.796.4174.100000108.7K214 V215 D319 V320 G321 I322K214-A317 WeakPolarHBondContact O-CA 3.16Å; V215-A317 HydrophobicContact CG2-CB 3.85Å; A317-D319 PolarHBondContact O-N 3.32Å; A317-V320 HydrophobicContact CB-CG2 3.64Å; A317-V320 PolarHBondContact O-N 3.16Å; A317-G321 PolarHBondContact O-N 3.32Å; A317-I322 PolarHBondContact N-O 2.79Å; A317-I322 PolarHBondContact O-N 3.33Å
318S89.8Confident94.5Very high53 Ų5328.8 Ų28.837%0.37115%0.149SC..THydrogen-bonded Turntrans-68.8-22.7-172620000113.7K214 V320K214-S318 WeakPolarHBondContact CB-OG 3.49Å; K214-S318 PolarHBondContact O-N 2.8Å; K214-S318 PolarHBondContact O-OG 3.5Å; S318-V320 VanDerWaalsContact C-N 3.32Å
319D88.1Confident94.6Very high86 Ų8622 Ų2246%0.4612%0.124SC..THydrogen-bonded Turntrans-73.7-24.6179.6-61.5-44.2000112.6K214 A317K214-D319 WeakPolarHBondContact CB-OD2 3.38Å; K214-D319 VanDerWaalsContact CD-OD1 3.25Å; K214-D319 WeakPolarHBondContact CD-OD1 3.28Å; K214-D319 WeakPolarHBondContact CE-OD1 3.31Å; K214-D319 VanDerWaalsContact CG-OD2 3.29Å; K214-D319 WeakPolarHBondContact CG-OD2 3.31Å; K214-D319 PolarHBondContact N-OD2 3.13Å; K214-D319 IonicContact NZ-OD1 3.77Å; K214-D319 PolarHBondContact NZ-OD1 3.23Å; A317-D319 PolarHBondContact O-N 3.32Å
320V90Very high94.7Very high97 Ų9724.6 Ų24.659%0.58814%0.135SC*.THydrogen-bonded Turntrans-120.8-1.5-177.7-65.50000113.6A317 S318 I322A317-V320 HydrophobicContact CB-CG2 3.64Å; A317-V320 PolarHBondContact O-N 3.16Å; S318-V320 VanDerWaalsContact C-N 3.32Å; V320-I322 VanDerWaalsContact C-N 3.29Å; V320-I322 HydrophobicContact CB-CD1 4.36Å; V320-I322 HydrophobicContact CB-CG1 4.38Å; V320-I322 HydrophobicContact CG2-CB 4.1Å; V320-I322 HydrophobicContact CG2-CD1 3.88Å; V320-I322 HydrophobicContact CG2-CG1 3.87Å; V320-I322 PolarHBondContact O-N 3.09Å
321G91Very high94.6Very high0 Ų024.8 Ų24.80%014%0.137CC..THydrogen-bonded Turntrans74.414.7176.600000115.7A317 A359 D361A317-G321 PolarHBondContact O-N 3.32Å; G321-A359 WeakPolarHBondContact O-CA 3.27Å; G321-D361 WeakPolarHBondContact CA-OD1 3.5Å; G321-D361 PolarHBondContact O-N 3.14Å
322I94.3Very high94.5Very high86 Ų8627.8 Ų27.844%0.44117%0.167SC..EExtended strand (participates in β ladder)trans-97.1125.3-174-59.6174.8000109.8A317 V320 K358 A359A317-I322 PolarHBondContact N-O 2.79Å; A317-I322 PolarHBondContact O-N 3.33Å; V320-I322 VanDerWaalsContact C-N 3.29Å; V320-I322 HydrophobicContact CB-CD1 4.36Å; V320-I322 HydrophobicContact CB-CG1 4.38Å; V320-I322 HydrophobicContact CG2-CB 4.1Å; V320-I322 HydrophobicContact CG2-CD1 3.88Å; V320-I322 HydrophobicContact CG2-CG1 3.87Å; V320-I322 PolarHBondContact O-N 3.09Å; I322-K358 WeakPolarHBondContact CA-O 3.34Å; I322-A359 HydrophobicContact CG1-CB 4.16Å
323A95.2Very high94.3Very high0 Ų029.5 Ų29.50%018%0.179CC..EExtended strand (participates in β ladder)trans-118.1146.3172.800000111T315 Y316 S357 K358 T362 F364T315-A323 VanDerWaalsContact O-CA 3.31Å; T315-A323 WeakPolarHBondContact O-CA 3.45Å; Y316-A323 HydrophobicContact CD2-CB 3.86Å; A323-S357 CarbonylContact O-C 3.36Å; A323-S357 VanDerWaalsContact O-CA 3.26Å; A323-S357 WeakPolarHBondContact O-CA 3.13Å; A323-K358 HydrophobicContact CB-CG 3.97Å; A323-K358 PolarHBondContact N-O 3.18Å; A323-K358 PolarHBondContact O-N 3Å; A323-T362 WeakPolarHBondContact CB-O 3.27Å; A323-F364 HydrophobicContact CB-CD2 3.69Å; A323-F364 HydrophobicContact CB-CE2 3.86Å
324S95.2Very high94.1Very high12 Ų1232 Ų328%0.08419%0.188CC..EExtended strand (participates in β ladder)trans-138.3151.9169.763.10000111.4A314 T315 W355 E356A314-S324 CarbonylContact C-O 3.44Å; A314-S324 VanDerWaalsContact CA-O 3.26Å; A314-S324 WeakPolarHBondContact CA-O 3.32Å; T315-S324 PolarHBondContact N-O 2.84Å; T315-S324 PolarHBondContact O-N 3.12Å; T315-S324 PolarHBondContact OG1-OG 2.9Å; S324-W355 WeakPolarHBondContact OG-CH2 3.39Å; S324-E356 CarbonylContact C-O 3.5Å; S324-E356 VanDerWaalsContact CA-O 3.27Å; S324-E356 WeakPolarHBondContact CA-O 3.22Å
325V96Very high93.9Very high1 Ų138.6 Ų38.61%0.00622%0.217CC..EExtended strand (participates in β ladder)trans-140.9136.3174.463.50000110.5L313 A314 R327 W355 E356 F364L313-V325 CarbonylContact O-C 3.59Å; L313-V325 VanDerWaalsContact O-CA 3.26Å; L313-V325 WeakPolarHBondContact O-CA 3.43Å; A314-V325 HydrophobicContact CB-CB 4.35Å; A314-V325 HydrophobicContact CB-CG2 4.24Å; V325-R327 HydrophobicContact CG2-CG 4.26Å; V325-W355 WeakPolarHBondContact O-CA 3.45Å; V325-E356 HydrophobicContact CG1-CB 3.94Å; V325-E356 PolarHBondContact N-O 3.12Å; V325-E356 PolarHBondContact O-N 2.89Å; V325-F364 HydrophobicContact CB-CB 4.23Å; V325-F364 HydrophobicContact CB-CD1 4.39Å; V325-F364 HydrophobicContact CB-CD2 3.82Å; V325-F364 HydrophobicContact CB-CE2 4.25Å; V325-F364 HydrophobicContact CB-CG 3.9Å; V325-F364 HydrophobicContact CG1-CD1 3.81Å; V325-F364 HydrophobicContact CG1-CD2 3.79Å; V325-F364 HydrophobicContact CG1-CE1 3.82Å; V325-F364 HydrophobicContact CG1-CE2 3.81Å; V325-F364 HydrophobicContact CG1-CG 3.79Å; V325-F364 HydrophobicContact CG1-CZ 3.83Å
326V96.6Very high93.6Very high0 Ų041.5 Ų41.50%023%0.23CC..EExtended strand (participates in β ladder)trans-103130.9168.2-177.50000106.8V244 V272 S312 L313 A329 D354 W355V244-V326 HydrophobicContact CG1-CB 4.47Å; V244-V326 HydrophobicContact CG1-CG1 4.47Å; V244-V326 HydrophobicContact CG1-CG2 3.47Å; V244-V326 VanDerWaalsContact CG1-CG2 3.47Å; V272-V326 HydrophobicContact CG1-CB 4.45Å; V272-V326 HydrophobicContact CG1-CG1 3.65Å; V272-V326 HydrophobicContact CG1-CG2 4.19Å; S312-V326 CarbonylContact C-O 3.59Å; S312-V326 WeakPolarHBondContact CA-O 3.33Å; L313-V326 HydrophobicContact CB-CB 4.24Å; L313-V326 PolarHBondContact N-O 3.49Å; L313-V326 PolarHBondContact O-N 3.37Å; V326-A329 HydrophobicContact CG1-CB 4.01Å; V326-D354 WeakPolarHBondContact CA-O 3.46Å; V326-W355 HydrophobicContact CB-CE3 4.43Å; V326-W355 HydrophobicContact CG2-CE3 3.37Å; V326-W355 HydrophobicContact CG2-CZ3 3.43Å; V326-W355 VanDerWaalsContact CG2-CZ3 3.43Å
327R96.6Very high93.4Very high36 Ų3645.8 Ų45.814%0.13625%0.252CS..EExtended strand (participates in β ladder)trans-113.8152.6175.4-53.1-177.8176.895.4-1111E222 G226 T228 V325 A329 L353 D354 E356E222-R327 WeakPolarHBondContact OE1-CA 3.39Å; G226-R327 WeakPolarHBondContact O-CB 3.49Å; G226-R327 WeakPolarHBondContact O-CD 3.23Å; T228-R327 PolarHBondContact OG1-NE 3.31Å; V325-R327 HydrophobicContact CG2-CG 4.26Å; R327-A329 PolarHBondContact O-N 2.8Å; R327-L353 PolarHBondContact O-N 2.83Å; R327-D354 HydrophobicContact CB-CB 4.29Å; R327-D354 PolarHBondContact N-O 3.16Å; R327-D354 IonicContact NH1-OD2 3.24Å; R327-D354 PolarHBondContact NH1-OD2 2.77Å; R327-D354 PolarHBondContact O-N 3.29Å; R327-E356 IonicContact CZ-OE2 2.89Å; R327-E356 VanDerWaalsContact CZ-OE2 3.23Å; R327-E356 IonicContact NH1-OE2 3.94Å; R327-E356 PolarHBondContact NH1-OE2 3.07Å; R327-E356 IonicContact NH2-OE2 3.82Å; R327-E356 PolarHBondContact NH2-OE2 3.37Å
328G95.9Very high93Very high1 Ų147.5 Ų47.51%0.0126%0.258CS..EExtended strand (participates in β ladder)trans67.424.7-176.800000113.1E222 F311 Q330E222-G328 VanDerWaalsContact CD-N 3.32Å; E222-G328 PolarHBondContact OE1-N 3.49Å; E222-G328 WeakPolarHBondContact OE2-CA 3.31Å; E222-G328 PolarHBondContact OE2-N 3.38Å; E222-G328 VanDerWaalsContact OE2-N 3.07Å; F311-G328 PolarHBondContact O-N 3.43Å; G328-Q330 PolarHBondContact O-N 2.88Å
329A96.4Very high92.8Very high0 Ų046.5 Ų46.50%025%0.25CC..EExtended strand (participates in β ladder)trans-69.2110.8-178.800000110T310 F311 L313 V326 R327 F350 A351T310-A329 CarbonylContact C-O 3.47Å; T310-A329 WeakPolarHBondContact CA-O 3.4Å; F311-A329 WeakPolarHBondContact CD2-O 3.38Å; F311-A329 PolarHBondContact N-O 3.08Å; F311-A329 VanDerWaalsContact O-CB 3.25Å; F311-A329 WeakPolarHBondContact O-CB 3.38Å; F311-A329 PolarHBondContact O-N 2.96Å; L313-A329 HydrophobicContact CD1-CB 3.74Å; L313-A329 HydrophobicContact CG-CB 3.82Å; V326-A329 HydrophobicContact CG1-CB 4.01Å; R327-A329 PolarHBondContact O-N 2.8Å; A329-F350 HydrophobicContact CB-CB 4.47Å; A329-F350 HydrophobicContact CB-CD1 4Å; A329-A351 CarbonylContact C-O 3.57Å; A329-A351 WeakPolarHBondContact CA-O 3.33Å
330Q95.9Very high92.4Very high67 Ų6749.3 Ų49.331%0.31327%0.265SS..EExtended strand (participates in β ladder)trans-101.6145.8172-170.8171.50.500110T310 G328 G332 F350 A351T310-Q330 HydrophobicContact CG2-CB 4.23Å; G328-Q330 PolarHBondContact O-N 2.88Å; Q330-G332 PolarHBondContact O-N 3.01Å; Q330-F350 WeakPolarHBondContact O-CA 3.4Å; Q330-A351 PolarHBondContact N-O 3.48Å; Q330-A351 PolarHBondContact O-N 3.18Å
331V96.1Very high92.1Very high7 Ų751.1 Ų51.14%0.04227%0.271CS..EExtended strand (participates in β ladder)trans-77.3110.9173.5-179.60000109.1F288 S291 C292 F311 W334 V348 T349 F350F288-V331 HydrophobicContact CB-CG2 3.99Å; F288-V331 HydrophobicContact CD1-CG2 4.17Å; F288-V331 HydrophobicContact CG-CG2 4.42Å; S291-V331 PolarHBondContact OG-N 3.36Å; C292-V331 HydrophobicContact CB-CB 4.33Å; C292-V331 HydrophobicContact CB-CG1 3.85Å; F311-V331 HydrophobicContact CE2-CG2 4.23Å; V331-W334 HydrophobicContact CG1-CB 4.43Å; V331-V348 HydrophobicContact CB-CG1 4.27Å; V331-V348 HydrophobicContact CG1-CG1 3.63Å; V331-V348 HydrophobicContact CG2-CG1 3.71Å; V331-T349 CarbonylContact C-O 3.52Å; V331-T349 WeakPolarHBondContact CA-O 3.4Å; V331-F350 HydrophobicContact CG2-CD1 4.08Å; V331-F350 HydrophobicContact CG2-CE1 3.62Å; V331-F350 HydrophobicContact CG2-CZ 4.32Å
332G92.4Very high91.8Very high62 Ų6252.6 Ų52.664%0.63929%0.287SS*.EExtended strand (participates in β ladder)trans-84.9-30.5176.100000113Q330 T349Q330-G332 PolarHBondContact O-N 3.01Å; G332-T349 PolarHBondContact N-O 3.1Å
333S93.3Very high91.4Very high36 Ų3650.2 Ų50.225%0.25228%0.275SS..EExtended strand (participates in β ladder)trans-153.7146.8172.490.40000111.3T349S333-T349 PolarHBondContact O-N 3.47Å; S333-T349 WeakPolarHBondContact OG-CB 2.93Å; S333-T349 PolarHBondContact OG-OG1 2.77Å
334W92.6Very high91.1Very high54 Ų5451 Ų5121%0.20528%0.279CS..EExtended strand (participates in β ladder)trans-125.2125.7171.6-173.393.4000109.3F280 L289 C292 V331 M336 A346F280-W334 HydrophobicContact CD2-CZ2 4.02Å; F280-W334 HydrophobicContact CE2-CH2 4.07Å; F280-W334 AromaticContact CE2-CZ2 3.71Å; F280-W334 HydrophobicContact CE2-CZ2 3.71Å; L289-W334 HydrophobicContact CD2-CD2 3.79Å; L289-W334 HydrophobicContact CD2-CE3 3.95Å; L289-W334 HydrophobicContact CD2-CG 4.15Å; L289-W334 HydrophobicContact CD2-CH2 4.35Å; L289-W334 HydrophobicContact CD2-CZ2 4.28Å; L289-W334 HydrophobicContact CD2-CZ3 4.22Å; C292-W334 HydrophobicContact CB-CB 4.42Å; V331-W334 HydrophobicContact CG1-CB 4.43Å; W334-M336 HydrophobicContact CE3-CB 4.24Å; W334-M336 HydrophobicContact CH2-CB 3.33Å; W334-M336 HydrophobicContact CH2-CE 4.21Å; W334-M336 HydrophobicContact CH2-CG 4.07Å; W334-M336 HydrophobicContact CH2-SD 3.82Å; W334-M336 HydrophobicContact CZ2-CB 4.05Å; W334-M336 HydrophobicContact CZ3-CB 3.41Å; W334-M336 VanDerWaalsContact CZ3-CB 3.41Å; W334-M336 HydrophobicContact CZ3-CE 4.31Å; W334-M336 HydrophobicContact CZ3-CG 4.49Å; W334-M336 HydrophobicContact CZ3-SD 4.44Å; W334-A346 HydrophobicContact CZ2-CB 3.86Å
335K92.4Very high90.9Very high139 Ų13952.7 Ų52.760%0.60429%0.289SS*.EExtended strand (participates in β ladder)trans-121.8129.9-179.5-64.6-179.4-178.71750109A346 T347K335-A346 CarbonylContact O-C 3.56Å; K335-A346 WeakPolarHBondContact O-CA 3.46Å; K335-T347 PolarHBondContact N-O 3.36Å; K335-T347 PolarHBondContact O-N 3.12Å
336M90.1Very high90.7Very high79 Ų7952.6 Ų52.639%0.38929%0.288SS..EExtended strand (participates in β ladder)trans-113.9135.5169.5170.3176.96300109.6W334 I338 I344 T345W334-M336 HydrophobicContact CE3-CB 4.24Å; W334-M336 HydrophobicContact CH2-CB 3.33Å; W334-M336 HydrophobicContact CH2-CE 4.21Å; W334-M336 HydrophobicContact CH2-CG 4.07Å; W334-M336 HydrophobicContact CH2-SD 3.82Å; W334-M336 HydrophobicContact CZ2-CB 4.05Å; W334-M336 HydrophobicContact CZ3-CB 3.41Å; W334-M336 VanDerWaalsContact CZ3-CB 3.41Å; W334-M336 HydrophobicContact CZ3-CE 4.31Å; W334-M336 HydrophobicContact CZ3-CG 4.49Å; W334-M336 HydrophobicContact CZ3-SD 4.44Å; M336-I338 HydrophobicContact CE-CD1 4.31Å; M336-I338 HydrophobicContact CG-CG1 4.24Å; M336-I338 HydrophobicContact SD-CD1 4.49Å; M336-I338 HydrophobicContact SD-CG1 4.45Å; M336-I344 HydrophobicContact CG-CG2 3.81Å; M336-I344 HydrophobicContact SD-CG2 4.08Å; M336-T345 WeakPolarHBondContact CA-O 3.35Å
337Q89.6Confident90.6Very high127 Ų12754.8 Ų54.859%0.59330%0.302SS*.EExtended strand (participates in β ladder)trans-121.1126.4174.9179.2179.5-16.300109P339 I344 T345Q337-P339 WeakPolarHBondContact O-CD 3.02Å; Q337-I344 WeakPolarHBondContact O-CG2 3.08Å; Q337-T345 PolarHBondContact N-O 2.86Å; Q337-T345 PolarHBondContact O-N 2.85Å
338I86.6Confident90.6Very high55 Ų5553.1 Ų53.128%0.28230%0.296SS..  trans-107.9100.4175.9-56.2170.7000105.8M336 I344 F380 V383 V386M336-I338 HydrophobicContact CE-CD1 4.31Å; M336-I338 HydrophobicContact CG-CG1 4.24Å; M336-I338 HydrophobicContact SD-CD1 4.49Å; M336-I338 HydrophobicContact SD-CG1 4.45Å; I338-I344 HydrophobicContact CG1-CD1 4.32Å; I338-I344 HydrophobicContact CG1-CG1 4.4Å; I338-I344 HydrophobicContact CG1-CG2 4.14Å; I338-I344 HydrophobicContact CG2-CG1 4.4Å; I338-F380 HydrophobicContact CG2-CD2 4.32Å; I338-V383 HydrophobicContact CD1-CG1 4.37Å; I338-V383 HydrophobicContact CD1-CG2 4.32Å; I338-V383 HydrophobicContact CG2-CG2 4.09Å; I338-V386 HydrophobicContact CD1-CG2 3.89Å
339P84.2Confident90.6Very high31 Ų3154.9 Ų54.920%0.20131%0.306CS..  trans-71.9165.5176.532.1-35.3000111.1Q337 D341 F380Q337-P339 WeakPolarHBondContact O-CD 3.02Å; P339-D341 WeakPolarHBondContact CB-O 3.36Å; P339-D341 VanDerWaalsContact CG-O 3.32Å; P339-D341 WeakPolarHBondContact CG-O 3.39Å; P339-D341 PolarHBondContact O-N 3.04Å; P339-F380 WeakPolarHBondContact O-CD2 3.5Å
340N81.1Confident90.7Very high146 Ų14655 Ų5578%0.78131%0.307SS*.SBendtrans-69.5-24173.864.1-16.8000113
341D82.9Confident90.6Very high134 Ų13454.6 Ų54.672%0.71731%0.314SS*.SBendtrans-146.5143.4175.2-173.419.3000109.5P339P339-D341 WeakPolarHBondContact CB-O 3.36Å; P339-D341 VanDerWaalsContact CG-O 3.32Å; P339-D341 WeakPolarHBondContact CG-O 3.39Å; P339-D341 PolarHBondContact O-N 3.04Å
342G84.3Confident90.6Very high32 Ų3255 Ų5533%0.3332%0.32SS..SBendtrans101-164.1179.100000116.1F380G342-F380 PolarHBondContact O-N 3.02Å
343D87.1Confident90.7Very high36 Ų3656.9 Ų56.919%0.19332%0.315CS..BIsolated β-bridgetrans-80141.5-176.6-68.6-39.8000111.3K279 T345 R377K279-D343 HydrophobicContact CD-CB 3.98Å; K279-D343 VanDerWaalsContact CD-OD2 3.3Å; K279-D343 WeakPolarHBondContact CD-OD2 3.2Å; K279-D343 WeakPolarHBondContact CE-OD2 3.18Å; K279-D343 HydrophobicContact CG-CB 4.46Å; K279-D343 IonicContact NZ-OD2 2.71Å; K279-D343 PolarHBondContact NZ-OD2 2.97Å; D343-T345 PolarHBondContact O-N 3.42Å; D343-R377 IonicContact OD2-CZ 3.16Å; D343-R377 IonicContact OD2-NH1 2.69Å
344I88.4Confident90.8Very high16 Ų1658.5 Ų58.58%0.08232%0.321CS..  trans-66.3133.5170.1-59179.4000108.5F280 M336 Q337 I338 Y378F280-I344 HydrophobicContact CB-CB 3.89Å; F280-I344 HydrophobicContact CB-CG2 3.63Å; F280-I344 HydrophobicContact CD1-CG2 4.33Å; F280-I344 HydrophobicContact CG-CG2 4.13Å; F280-I344 PolarHBondContact N-O 3.48Å; M336-I344 HydrophobicContact CG-CG2 3.81Å; M336-I344 HydrophobicContact SD-CG2 4.08Å; Q337-I344 WeakPolarHBondContact O-CG2 3.08Å; I338-I344 HydrophobicContact CG1-CD1 4.32Å; I338-I344 HydrophobicContact CG1-CG1 4.4Å; I338-I344 HydrophobicContact CG1-CG2 4.14Å; I338-I344 HydrophobicContact CG2-CG1 4.4Å; I344-Y378 PolarHBondContact N-O 3.31Å
345T91.2Very high90.9Very high47 Ų4759 Ų5929%0.28832%0.322SS..EExtended strand (participates in β ladder)trans-112.1146.4178.860.40000111T278 M336 Q337 D343T278-T345 WeakPolarHBondContact O-CA 3.14Å; M336-T345 WeakPolarHBondContact CA-O 3.35Å; Q337-T345 PolarHBondContact N-O 2.86Å; Q337-T345 PolarHBondContact O-N 2.85Å; D343-T345 PolarHBondContact O-N 3.42Å
346A91.2Very high91Very high0 Ų056.1 Ų56.10%031%0.311CS..EExtended strand (participates in β ladder)trans-130.8129.9174.400000109.8T278 F280 W334 K335T278-A346 WeakPolarHBondContact CA-O 3.49Å; T278-A346 PolarHBondContact N-O 3.05Å; T278-A346 PolarHBondContact O-N 3.36Å; T278-A346 PolarHBondContact OG1-O 3.24Å; F280-A346 HydrophobicContact CD2-CB 4.18Å; W334-A346 HydrophobicContact CZ2-CB 3.86Å; K335-A346 CarbonylContact O-C 3.56Å; K335-A346 WeakPolarHBondContact O-CA 3.46Å
347T95.3Very high91.3Very high46 Ų4656 Ų5628%0.28232%0.318SS..EExtended strand (participates in β ladder)trans-111.7124.1175.5-59.40000108.7D275 V276 K335D275-T347 HydrophobicContact CB-CG2 3.87Å; V276-T347 WeakPolarHBondContact O-CA 3.49Å; K335-T347 PolarHBondContact N-O 3.36Å; K335-T347 PolarHBondContact O-N 3.12Å
348V95.6Very high91.5Very high1 Ų152 Ų521%0.00630%0.299CS..EExtended strand (participates in β ladder)trans-110.9120.6178.3-165.60000108.5D275 V276 F288 V331 F350D275-V348 CarbonylContact C-O 3.59Å; D275-V348 WeakPolarHBondContact CA-O 3.33Å; V276-V348 PolarHBondContact N-O 3.33Å; V276-V348 PolarHBondContact O-N 2.93Å; F288-V348 HydrophobicContact CB-CG1 4.22Å; F288-V348 HydrophobicContact CD2-CG2 4.15Å; F288-V348 HydrophobicContact CG-CG1 4.32Å; V331-V348 HydrophobicContact CB-CG1 4.27Å; V331-V348 HydrophobicContact CG1-CG1 3.63Å; V331-V348 HydrophobicContact CG2-CG1 3.71Å; V348-F350 HydrophobicContact CB-CD2 4.46Å; V348-F350 HydrophobicContact CB-CE2 3.78Å; V348-F350 HydrophobicContact CB-CZ 4.1Å; V348-F350 HydrophobicContact CG1-CD2 4.25Å; V348-F350 HydrophobicContact CG1-CE1 4.05Å; V348-F350 HydrophobicContact CG1-CE2 3.63Å; V348-F350 HydrophobicContact CG1-CZ 3.53Å
349T97Very high91.8Very high37 Ų3753.3 Ų53.323%0.22732%0.318CS..EExtended strand (participates in β ladder)trans-92.7121.5175.4-53.50000109.2D275 V331 G332 S333D275-T349 WeakPolarHBondContact OD1-CA 3.48Å; D275-T349 WeakPolarHBondContact OD1-CB 2.97Å; D275-T349 VanDerWaalsContact OD1-CG2 3.3Å; D275-T349 WeakPolarHBondContact OD1-CG2 3.46Å; D275-T349 PolarHBondContact OD1-OG1 3.09Å; V331-T349 CarbonylContact C-O 3.52Å; V331-T349 WeakPolarHBondContact CA-O 3.4Å; G332-T349 PolarHBondContact N-O 3.1Å; S333-T349 PolarHBondContact O-N 3.47Å; S333-T349 WeakPolarHBondContact OG-CB 2.93Å; S333-T349 PolarHBondContact OG-OG1 2.77Å
350F96.7Very high92.2Very high4 Ų455.9 Ų55.92%0.01833%0.33CS..EExtended strand (participates in β ladder)trans-105.3143177.9-67.7-81.2000112.2V244 G273 G274 V276 F288 F311 L313 A329 Q330 V331 V348V244-F350 HydrophobicContact CG2-CB 4.35Å; V244-F350 HydrophobicContact CG2-CD2 4.08Å; G273-F350 CarbonylContact C-O 3.58Å; G273-F350 WeakPolarHBondContact CA-O 3.26Å; G274-F350 PolarHBondContact N-O 2.94Å; G274-F350 PolarHBondContact O-N 3.08Å; V276-F350 HydrophobicContact CB-CD2 4.48Å; V276-F350 HydrophobicContact CB-CE2 4.12Å; V276-F350 HydrophobicContact CG2-CD2 3.83Å; V276-F350 HydrophobicContact CG2-CE2 3.77Å; F288-F350 AromaticContact CD1-CE1 3.95Å; F288-F350 HydrophobicContact CD1-CE1 3.95Å; F288-F350 AromaticContact CD1-CZ 3.77Å; F288-F350 HydrophobicContact CD1-CZ 3.77Å; F288-F350 AromaticContact CE1-CE1 3.95Å; F288-F350 HydrophobicContact CE1-CE1 3.95Å; F288-F350 AromaticContact CE1-CZ 3.6Å; F288-F350 HydrophobicContact CE1-CZ 3.6Å; F288-F350 HydrophobicContact CE2-CZ 4.44Å; F288-F350 HydrophobicContact CG-CZ 4.29Å; F288-F350 AromaticContact CZ-CZ 3.96Å; F288-F350 HydrophobicContact CZ-CZ 3.96Å; F311-F350 HydrophobicContact CD2-CE1 4.26Å; L313-F350 HydrophobicContact CD1-CB 4.22Å; L313-F350 HydrophobicContact CD1-CD1 3.78Å; L313-F350 HydrophobicContact CD1-CD2 3.74Å; L313-F350 HydrophobicContact CD1-CE1 3.98Å; L313-F350 HydrophobicContact CD1-CE2 3.95Å; L313-F350 HydrophobicContact CD1-CG 3.64Å; L313-F350 HydrophobicContact CD1-CZ 4.06Å; L313-F350 HydrophobicContact CD2-CE1 4.27Å; L313-F350 HydrophobicContact CD2-CZ 4.23Å; A329-F350 HydrophobicContact CB-CB 4.47Å; A329-F350 HydrophobicContact CB-CD1 4Å; Q330-F350 WeakPolarHBondContact O-CA 3.4Å; V331-F350 HydrophobicContact CG2-CD1 4.08Å; V331-F350 HydrophobicContact CG2-CE1 3.62Å; V331-F350 HydrophobicContact CG2-CZ 4.32Å; V348-F350 HydrophobicContact CB-CD2 4.46Å; V348-F350 HydrophobicContact CB-CE2 3.78Å; V348-F350 HydrophobicContact CB-CZ 4.1Å; V348-F350 HydrophobicContact CG1-CD2 4.25Å; V348-F350 HydrophobicContact CG1-CE1 4.05Å; V348-F350 HydrophobicContact CG1-CE2 3.63Å; V348-F350 HydrophobicContact CG1-CZ 3.53Å
351A95.5Very high92.6Very high57 Ų5754.3 Ų54.347%0.47132%0.321SS..EExtended strand (participates in β ladder)trans-119.2115.4164.600000108.6A329 Q330A329-A351 CarbonylContact C-O 3.57Å; A329-A351 WeakPolarHBondContact CA-O 3.33Å; Q330-A351 PolarHBondContact N-O 3.48Å; Q330-A351 PolarHBondContact O-N 3.18Å
352G95.1Very high93Very high15 Ų1550.8 Ų50.816%0.15531%0.305CS..EExtended strand (participates in β ladder)trans-99.6162.9179.600000112.5V272V272-G352 PolarHBondContact O-N 3.35Å
353L94.3Very high93.3Very high102 Ų10251 Ų5153%0.53430%0.299SS..SBendtrans-98.3-34.1175.2-64.1178.9000112.4A225 R327A225-L353 HydrophobicContact CB-CD1 4.48Å; R327-L353 PolarHBondContact O-N 2.83Å
354D94.7Very high93.6Very high71 Ų7150.5 Ų50.538%0.3830%0.295SS..EExtended strand (participates in β ladder)trans-142.2150-171.8179.650.6000110.7V326 R327V326-D354 WeakPolarHBondContact CA-O 3.46Å; R327-D354 HydrophobicContact CB-CB 4.29Å; R327-D354 PolarHBondContact N-O 3.16Å; R327-D354 IonicContact NH1-OD2 3.24Å; R327-D354 PolarHBondContact NH1-OD2 2.77Å; R327-D354 PolarHBondContact O-N 3.29Å
355W95Very high93.8Very high63 Ų6350.1 Ų50.124%0.23929%0.293CS..EExtended strand (participates in β ladder)trans-134.6132176.6172.8-86.7000110.2P246 V272 S324 V325 V326P246-W355 HydrophobicContact CB-CB 4.43Å; P246-W355 HydrophobicContact CB-CG 4.25Å; P246-W355 HydrophobicContact CG-CD2 4.05Å; P246-W355 HydrophobicContact CG-CG 3.89Å; V272-W355 HydrophobicContact CG1-CB 3.98Å; V272-W355 HydrophobicContact CG1-CE3 4.26Å; V272-W355 HydrophobicContact CG2-CB 3.77Å; S324-W355 WeakPolarHBondContact OG-CH2 3.39Å; V325-W355 WeakPolarHBondContact O-CA 3.45Å; V326-W355 HydrophobicContact CB-CE3 4.43Å; V326-W355 HydrophobicContact CG2-CE3 3.37Å; V326-W355 HydrophobicContact CG2-CZ3 3.43Å; V326-W355 VanDerWaalsContact CG2-CZ3 3.43Å
356E95.8Very high93.7Very high79 Ų7954.7 Ų54.737%0.36931%0.308SS..EExtended strand (participates in β ladder)trans-130.9140.3171.9-170-173.2157.800110S324 V325 R327 F364S324-E356 CarbonylContact C-O 3.5Å; S324-E356 VanDerWaalsContact CA-O 3.27Å; S324-E356 WeakPolarHBondContact CA-O 3.22Å; V325-E356 HydrophobicContact CG1-CB 3.94Å; V325-E356 PolarHBondContact N-O 3.12Å; V325-E356 PolarHBondContact O-N 2.89Å; R327-E356 IonicContact CZ-OE2 2.89Å; R327-E356 VanDerWaalsContact CZ-OE2 3.23Å; R327-E356 IonicContact NH1-OE2 3.94Å; R327-E356 PolarHBondContact NH1-OE2 3.07Å; R327-E356 IonicContact NH2-OE2 3.82Å; R327-E356 PolarHBondContact NH2-OE2 3.37Å; E356-F364 HydrophobicContact CB-CZ 4.29Å; E356-F364 HydrophobicContact CG-CE1 4.43Å; E356-F364 HydrophobicContact CG-CZ 3.9Å
357S94.9Very high93.5Very high76 Ų7658 Ų5853%0.53134%0.342SS..EExtended strand (participates in β ladder)trans-135.3147.5171.359.80000110.7A323A323-S357 CarbonylContact O-C 3.36Å; A323-S357 VanDerWaalsContact O-CA 3.26Å; A323-S357 WeakPolarHBondContact O-CA 3.13Å
358K94.5Very high93Very high45 Ų4563 Ų6320%0.19636%0.363CS..EExtended strand (participates in β ladder)trans-142.9156.3177.262-173.6-179.7173.20110.6I322 A323 D360 T362 F364I322-K358 WeakPolarHBondContact CA-O 3.34Å; A323-K358 HydrophobicContact CB-CG 3.97Å; A323-K358 PolarHBondContact N-O 3.18Å; A323-K358 PolarHBondContact O-N 3Å; K358-D360 WeakPolarHBondContact CD-OD1 3.33Å; K358-T362 WeakPolarHBondContact CE-O 3.46Å; K358-T362 WeakPolarHBondContact CE-OG1 3.5Å; K358-T362 PolarHBondContact NZ-OG1 2.77Å; K358-F364 HydrophobicContact CD-CE1 4.05Å; K358-F364 HydrophobicContact CD-CE2 3.92Å; K358-F364 HydrophobicContact CD-CZ 3.56Å; K358-F364 HydrophobicContact CG-CE2 3.83Å; K358-F364 HydrophobicContact CG-CZ 3.83Å
359A93.6Very high92.8Very high82 Ų8263.5 Ų63.568%0.67837%0.366SS*.  trans-131.653178.600000109.2G321 I322G321-A359 WeakPolarHBondContact O-CA 3.27Å; I322-A359 HydrophobicContact CG1-CB 4.16Å
360D92.6Very high92.4Very high84 Ų8464.6 Ų64.645%0.44937%0.372SS..SBendtrans-113.117.9-176.169.5-12.7000112.4K358 T362K358-D360 WeakPolarHBondContact CD-OD1 3.33Å; D360-T362 PolarHBondContact O-N 2.94Å; D360-T362 WeakPolarHBondContact OD1-CB 3.39Å; D360-T362 PolarHBondContact OD1-N 3.36Å; D360-T362 PolarHBondContact OD1-OG1 2.65Å; D360-T362 PolarHBondContact OD2-OG1 2.89Å
361D89.6Confident91.8Very high113 Ų11367.4 Ų67.460%0.60439%0.388SS*.SBendtrans61.25.4-173.6-66.2-50.8000115.1Y316 G321Y316-D361 PolarHBondContact OH-O 3.18Å; G321-D361 WeakPolarHBondContact CA-OD1 3.5Å; G321-D361 PolarHBondContact O-N 3.14Å
362T91Very high90.4Very high61 Ų6168.6 Ų68.637%0.37439%0.393SS..  trans-99.3150.5179.275.90000112.3A323 K358 D360A323-T362 WeakPolarHBondContact CB-O 3.27Å; K358-T362 WeakPolarHBondContact CE-O 3.46Å; K358-T362 WeakPolarHBondContact CE-OG1 3.5Å; K358-T362 PolarHBondContact NZ-OG1 2.77Å; D360-T362 PolarHBondContact O-N 2.94Å; D360-T362 WeakPolarHBondContact OD1-CB 3.39Å; D360-T362 PolarHBondContact OD1-N 3.36Å; D360-T362 PolarHBondContact OD1-OG1 2.65Å; D360-T362 PolarHBondContact OD2-OG1 2.89Å
363N90.3Very high88.7Confident37 Ų3768.1 Ų68.120%0.19839%0.387CS..  trans-99.2146.6-179.9-162.7-15.3000111.6Y316 I365Y316-N363 WeakPolarHBondContact CB-ND2 3.47Å; Y316-N363 HydrophobicContact CD1-CB 4.18Å; Y316-N363 WeakPolarHBondContact CD1-ND2 3.44Å; Y316-N363 HydrophobicContact CD2-CB 4.21Å; Y316-N363 HydrophobicContact CE1-CB 4.45Å; Y316-N363 HydrophobicContact CE2-CB 4.46Å; Y316-N363 HydrophobicContact CG-CB 4.04Å; N363-I365 WeakPolarHBondContact OD1-CB 3.25Å; N363-I365 WeakPolarHBondContact OD1-CG1 3.47Å; N363-I365 PolarHBondContact OD1-N 3.49Å
364F93.2Very high86.9Confident25 Ų2565.6 Ų65.611%0.1139%0.385CS..SBendtrans-76.6-32166.9-69.7-71.1000111.8A314 A323 V325 E356 K358 K366A314-F364 HydrophobicContact CB-CB 4.17Å; A323-F364 HydrophobicContact CB-CD2 3.69Å; A323-F364 HydrophobicContact CB-CE2 3.86Å; V325-F364 HydrophobicContact CB-CB 4.23Å; V325-F364 HydrophobicContact CB-CD1 4.39Å; V325-F364 HydrophobicContact CB-CD2 3.82Å; V325-F364 HydrophobicContact CB-CE2 4.25Å; V325-F364 HydrophobicContact CB-CG 3.9Å; V325-F364 HydrophobicContact CG1-CD1 3.81Å; V325-F364 HydrophobicContact CG1-CD2 3.79Å; V325-F364 HydrophobicContact CG1-CE1 3.82Å; V325-F364 HydrophobicContact CG1-CE2 3.81Å; V325-F364 HydrophobicContact CG1-CG 3.79Å; V325-F364 HydrophobicContact CG1-CZ 3.83Å; E356-F364 HydrophobicContact CB-CZ 4.29Å; E356-F364 HydrophobicContact CG-CE1 4.43Å; E356-F364 HydrophobicContact CG-CZ 3.9Å; K358-F364 HydrophobicContact CD-CE1 4.05Å; K358-F364 HydrophobicContact CD-CE2 3.92Å; K358-F364 HydrophobicContact CD-CZ 3.56Å; K358-F364 HydrophobicContact CG-CE2 3.83Å; K358-F364 HydrophobicContact CG-CZ 3.83Å; F364-K366 PolarHBondContact O-N 2.89Å
365I92Very high85.4Confident8 Ų871.1 Ų71.14%0.04141%0.406CS..SBendtrans-65124.1174.1-54.5166.9000108I216 A218 W234 A314 N363 P369I216-I365 HydrophobicContact CG2-CD1 4.15Å; A218-I365 HydrophobicContact CB-CD1 3.65Å; A218-I365 HydrophobicContact CB-CG1 4.07Å; A218-I365 HydrophobicContact CB-CG2 4.46Å; W234-I365 HydrophobicContact CB-CG2 3.79Å; W234-I365 HydrophobicContact CD2-CB 4.34Å; W234-I365 HydrophobicContact CD2-CG1 4.28Å; W234-I365 HydrophobicContact CD2-CG2 4.07Å; W234-I365 HydrophobicContact CE3-CG1 4.13Å; W234-I365 HydrophobicContact CG-CB 4.43Å; W234-I365 HydrophobicContact CG-CG2 3.69Å; W234-I365 HydrophobicContact CZ3-CG1 4.46Å; A314-I365 HydrophobicContact CB-CD1 4.32Å; A314-I365 HydrophobicContact CB-CG1 3.7Å; N363-I365 WeakPolarHBondContact OD1-CB 3.25Å; N363-I365 WeakPolarHBondContact OD1-CG1 3.47Å; N363-I365 PolarHBondContact OD1-N 3.49Å; I365-P369 HydrophobicContact CG2-CB 4.39Å
366K89Confident84.3Confident142 Ų14274.9 Ų74.962%0.61743%0.43SS*.  trans-101127.7177.4-60.5-56-177.1-168.60109.2F364F364-K366 PolarHBondContact O-N 2.89Å
367G87Confident83.5Confident69 Ų6977.2 Ų77.271%0.71144%0.436SS*.SBendtrans74.4-174.4-173.700000112.9
368E86.7Confident82.8Confident153 Ų15378.2 Ų78.272%0.71543%0.429SS*.PPolyproline II helixtrans-80.9127.2172.8-175.460.3-153.700109V370E368-V370 PolarHBondContact O-N 3.11Å
369P90.2Very high81.9Confident10 Ų1079.4 Ų79.47%0.06544%0.443CS..PPolyproline II helixtrans-6513317726.7-34.6000111I216 A218 W234 L236 I365 D371I216-P369 HydrophobicContact CG2-CG 4.22Å; A218-P369 HydrophobicContact CB-CB 3.98Å; W234-P369 HydrophobicContact CB-CB 4.2Å; W234-P369 CarbonylContact O-C 3.58Å; W234-P369 WeakPolarHBondContact O-CA 3.33Å; L236-P369 HydrophobicContact CB-CB 4.15Å; L236-P369 HydrophobicContact CD1-CB 4.42Å; L236-P369 HydrophobicContact CD1-CG 4.02Å; I365-P369 HydrophobicContact CG2-CB 4.39Å; P369-D371 PolarHBondContact O-N 2.91Å
370V89.2Confident80.6Confident60 Ų6079.4 Ų79.436%0.36443%0.427SS..BIsolated β-bridgetrans-74.1125.6179.5-175.30000109.5D233 W234 S235 L236 E368 S372D233-V370 HydrophobicContact CB-CG2 3.81Å; W234-V370 PolarHBondContact O-N 3.48Å; S235-V370 WeakPolarHBondContact CA-O 3.26Å; L236-V370 PolarHBondContact N-O 3.28Å; E368-V370 PolarHBondContact O-N 3.11Å; V370-S372 VanDerWaalsContact C-N 3.3Å; V370-S372 WeakPolarHBondContact CG1-OG 3.28Å; V370-S372 PolarHBondContact O-N 2.92Å
371D84Confident79.1Confident64 Ų6484.3 Ų84.334%0.34245%0.445SS..  trans-86.572.5169.3-168.231.3000108.7L236 K238 P369 A373L236-D371 HydrophobicContact CD2-CB 4.23Å; K238-D371 WeakPolarHBondContact CE-OD1 3.49Å; K238-D371 IonicContact NZ-OD1 3.7Å; K238-D371 PolarHBondContact NZ-OD1 3.07Å; K238-D371 IonicContact NZ-OD2 3.89Å; K238-D371 PolarHBondContact NZ-OD2 2.97Å; P369-D371 PolarHBondContact O-N 2.91Å; D371-A373 PolarHBondContact O-N 3.38Å
372S66.2Low77.6Confident82 Ų8286.9 Ų86.957%0.57345%0.453SS*.  trans-61.2-11.1-174.6-57.30000114.1V370V370-S372 VanDerWaalsContact C-N 3.3Å; V370-S372 WeakPolarHBondContact CG1-OG 3.28Å; V370-S372 PolarHBondContact O-N 2.92Å
373A59.3Low76.1Confident4 Ų487.1 Ų87.13%0.03345%0.454CS..SBendtrans-114127.3-177.700000111.3W282 Q284 D371W282-A373 WeakPolarHBondContact O-CB 3.34Å; Q284-A373 HydrophobicContact CB-CB 3.95Å; D371-A373 PolarHBondContact O-N 3.38Å
374G55.3Low74.8Confident49 Ų4991.4 Ų91.451%0.50549%0.487SS..  trans-51.4149.4176.800000112.2L376G374-L376 PolarHBondContact O-N 3.37Å
375K63.3Low73.4Confident187 Ų18793.6 Ų93.681%0.81351%0.51SS*.SBendtrans-52.3-7.5-177-64.8177.1177.7177.90115.6
376L72.3Confident72.3Confident143 Ų14396.7 Ų96.775%0.74953%0.529SS*.PPolyproline II helixtrans-79.4130-173.4-59.6176.5000111.5G374G374-L376 PolarHBondContact O-N 3.37Å
377R80.4Confident71.4Confident127 Ų12793.5 Ų93.548%0.47953%0.525SS..BIsolated β-bridgetrans-100.4147.2171-67175.5-70.9-172.62.1108.6R281 D343 S379R281-R377 HydrophobicContact CG-CG 4.22Å; D343-R377 IonicContact OD2-CZ 3.16Å; D343-R377 IonicContact OD2-NH1 2.69Å; R377-S379 PolarHBondContact O-N 3.45Å
378Y79.2Confident70.7Confident98 Ų9895.6 Ų95.638%0.38452%0.519SS..PPolyproline II helixtrans-78.8120.6168.3-69.9-73.9000109.7F280 W282 I344F280-Y378 AromaticContact CD1-CD2 3.42Å; F280-Y378 HydrophobicContact CD1-CD2 3.42Å; F280-Y378 VanDerWaalsContact CD1-CD2 3.42Å; F280-Y378 HydrophobicContact CD1-CE2 4.08Å; F280-Y378 HydrophobicContact CD1-CG 4.11Å; F280-Y378 AromaticContact CE1-CD2 3.8Å; F280-Y378 HydrophobicContact CE1-CD2 3.8Å; F280-Y378 AromaticContact CE1-CE2 3.99Å; F280-Y378 HydrophobicContact CE1-CE2 3.99Å; F280-Y378 HydrophobicContact CG-CD2 4.41Å; F280-Y378 PolarHBondContact O-N 2.94Å; F280-Y378 VanDerWaalsContact O-N 3.15Å; W282-Y378 HydrophobicContact CB-CE2 3.74Å; W282-Y378 WeakPolarHBondContact CB-OH 3.48Å; I344-Y378 PolarHBondContact N-O 3.31Å
379S75.8Confident70Confident70 Ų7095.9 Ų95.949%0.4953%0.525SS..BIsolated β-bridgetrans-105.3159.5167.152.20000109.3R377 K381R377-S379 PolarHBondContact O-N 3.45Å; S379-K381 PolarHBondContact O-N 3.02Å
380F66.4Low69.2Low82 Ų8298.8 Ų98.836%0.3656%0.557SS.*  trans-56.3122.5172.2-179.8-93000110.3I338 P339 G342I338-F380 HydrophobicContact CG2-CD2 4.32Å; P339-F380 WeakPolarHBondContact O-CD2 3.5Å; G342-F380 PolarHBondContact O-N 3.02Å
381K61Low68.4Low186 Ų186100.9 Ų100.981%0.80957%0.569SS**SBendtrans-13736.5168.7-148.1-133.6-179.2-157.70113.1S379S379-K381 PolarHBondContact O-N 3.02Å
382E57.8Low67.7Low168 Ų168101.3 Ų101.379%0.78558%0.582SS**  trans80.595.8-170.2-52.4174166.300112.9
383V60Low67.4Low65 Ų65103.3 Ų103.339%0.39462%0.616SS.*  trans-88.9103.4161.9177.60000106.6I338 V386I338-V383 HydrophobicContact CD1-CG1 4.37Å; I338-V383 HydrophobicContact CD1-CG2 4.32Å; I338-V383 HydrophobicContact CG2-CG2 4.09Å; V383-V386 HydrophobicContact CG1-CG2 3.79Å
384S63.3Low67.8Low128 Ų128108.3 Ų108.390%0.89565%0.645SS**  trans-72-28.8-178.251.50000113.2
385A63.8Low68.5Low70 Ų70111.4 Ų111.458%0.57965%0.652SS**  trans-164.8147.5171.700000110
386V67.4Low68.8Low74 Ų74107.2 Ų107.245%0.44864%0.643SS.*  trans-103.6131160.2176.80000106I338 V383 A392 G393I338-V386 HydrophobicContact CD1-CG2 3.89Å; V383-V386 HydrophobicContact CG1-CG2 3.79Å; V386-A392 CarbonylContact O-C 3.54Å; V386-A392 WeakPolarHBondContact O-CA 3.09Å; V386-G393 PolarHBondContact O-N 3.14Å
387S71.6Confident68.6Low75 Ų75105.1 Ų105.152%0.52464%0.637SS.*EExtended strand (participates in β ladder)trans-131.4136.7175.668.20000111.6V391S387-V391 CarbonylContact C-O 3.52Å; S387-V391 WeakPolarHBondContact CA-O 3.42Å; S387-V391 WeakPolarHBondContact CB-O 3.34Å
388L71.6Confident67.8Low113 Ų113103.8 Ų103.859%0.59265%0.647SS**EExtended strand (participates in β ladder)trans-107.1114.6171-160.2138.3000108G390 V391L388-G390 PolarHBondContact O-N 3.1Å; L388-V391 PolarHBondContact N-O 2.93Å; L388-V391 WeakPolarHBondContact O-CB 3.16Å; L388-V391 PolarHBondContact O-N 3.13Å
389N71.9Confident67.1Low159 Ų159104.1 Ų104.185%0.8566%0.664SS**THydrogen-bonded Turntrans51.738.3-175.3-62.2-28.3000114.2V391N389-V391 VanDerWaalsContact C-N 3.29Å; N389-V391 PolarHBondContact O-N 2.86Å
390G72.8Confident66.5Low70 Ų70106.6 Ų106.672%0.72268%0.677SS**THydrogen-bonded Turntrans81-0.9-179.300000115.3L388L388-G390 PolarHBondContact O-N 3.1Å
391V72.9Confident66.5Low104 Ų104108.5 Ų108.563%0.6370%0.701SS**EExtended strand (participates in β ladder)trans-89.9117.8169.9-1760000108.3S387 L388 N389 G393S387-V391 CarbonylContact C-O 3.52Å; S387-V391 WeakPolarHBondContact CA-O 3.42Å; S387-V391 WeakPolarHBondContact CB-O 3.34Å; L388-V391 PolarHBondContact N-O 2.93Å; L388-V391 WeakPolarHBondContact O-CB 3.16Å; L388-V391 PolarHBondContact O-N 3.13Å; N389-V391 VanDerWaalsContact C-N 3.29Å; N389-V391 PolarHBondContact O-N 2.86Å; V391-G393 PolarHBondContact O-N 3.03Å
392A69.7Low66.9Low74 Ų74102 Ų10261%0.61269%0.692SS**EExtended strand (participates in β ladder)trans-60.3129.3173.100000109.9V386V386-A392 CarbonylContact O-C 3.54Å; V386-A392 WeakPolarHBondContact O-CA 3.09Å
393G60.3Low67.8Low124 Ų12496 Ų96100%1.27868%0.684SS**  trans-81.60175.100000113.7V386 V391V386-G393 PolarHBondContact O-N 3.14Å; V391-G393 PolarHBondContact O-N 3.03Å

Retrieved 393 of 393 residues in 417.8 ms (Link to these results)