A0A077Z301_TRITR Loading...

Ubiquitin carboxyl-terminal hydrolase

AlphaFold DB , UniProt , Accession A0A077Z301, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 745 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
1M58.2Low79.5Confident168 Ų16882.2 Ų82.283%0.82843%0.425SS*.  0138.10-106170.7176.300108D5 V109M1-D5 HydrophobicContact CG-CB 4.27Å; M1-V109 HydrophobicContact SD-CG1 4.01Å
2N61.7Low79.6Confident86 Ų8679.6 Ų79.646%0.4642%0.42SS..  trans-64.8136.4166.8-171.713.5000106.8D4 D5N2-D4 PolarHBondContact ND2-OD2 2.8Å; N2-D4 PolarHBondContact O-N 3.48Å; N2-D5 WeakPolarHBondContact CB-OD2 3.39Å; N2-D5 PolarHBondContact N-OD2 3.33Å; N2-D5 WeakPolarHBondContact O-CB 3.28Å; N2-D5 PolarHBondContact O-N 3.31Å
3P61.5Low79.1Confident37 Ų3784.8 Ų84.824%0.2446%0.461CS..G310 helixtrans-49-30.6174.4-31.635.4000113.8D5 I6 T122P3-D5 PolarHBondContact O-N 3.42Å; P3-I6 WeakPolarHBondContact O-CB 3.23Å; P3-I6 WeakPolarHBondContact O-CG1 3.22Å; P3-I6 PolarHBondContact O-N 3.48Å; P3-I6 VanDerWaalsContact O-N 3.15Å; P3-T122 WeakPolarHBondContact CB-O 3.39Å; P3-T122 WeakPolarHBondContact CG-O 3.47Å
4D65.8Low78.4Confident125 Ų12586.9 Ų86.967%0.66849%0.485SS*.G310 helixtrans-63.7-19.6175.4-59.2-38.8000114.3N2 I6N2-D4 PolarHBondContact ND2-OD2 2.8Å; N2-D4 PolarHBondContact O-N 3.48Å; D4-I6 VanDerWaalsContact C-N 3.33Å
5D80.8Confident78.3Confident95 Ų9585.7 Ų85.751%0.50847%0.474SS..G310 helixtrans-85.9-7178.5-58.1-41.2000112.7M1 N2 P3 K7M1-D5 HydrophobicContact CG-CB 4.27Å; N2-D5 WeakPolarHBondContact CB-OD2 3.39Å; N2-D5 PolarHBondContact N-OD2 3.33Å; N2-D5 WeakPolarHBondContact O-CB 3.28Å; N2-D5 PolarHBondContact O-N 3.31Å; P3-D5 PolarHBondContact O-N 3.42Å; D5-K7 PolarHBondContact O-N 3.04Å
6I87.8Confident78.2Confident12 Ų1282.4 Ų82.46%0.06247%0.466CS..  trans-72.7115.9-177.6-64.9174.9000109.3P3 D4 F8 L39 A61 V107 V109 L116 L127P3-I6 WeakPolarHBondContact O-CB 3.23Å; P3-I6 WeakPolarHBondContact O-CG1 3.22Å; P3-I6 PolarHBondContact O-N 3.48Å; P3-I6 VanDerWaalsContact O-N 3.15Å; D4-I6 VanDerWaalsContact C-N 3.33Å; I6-F8 WeakPolarHBondContact O-CD1 3.37Å; I6-L39 HydrophobicContact CG2-CD1 4.02Å; I6-A61 HydrophobicContact CG2-CB 3.51Å; I6-V107 HydrophobicContact CD1-CG1 4.44Å; I6-V109 HydrophobicContact CD1-CG2 3.96Å; I6-V109 HydrophobicContact CG1-CG2 4.23Å; I6-L116 HydrophobicContact CD1-CD1 4.43Å; I6-L127 HydrophobicContact CB-CD2 4.11Å; I6-L127 HydrophobicContact CD1-CD2 3.85Å; I6-L127 HydrophobicContact CG2-CD1 4.31Å; I6-L127 HydrophobicContact CG2-CD2 3.93Å
7K92Very high78.7Confident162 Ų16278 Ų7870%0.70444%0.441SS*.  trans-78.1130173.4-61.4-175.6178.9-179.30110.6D5 L40D5-K7 PolarHBondContact O-N 3.04Å; K7-L40 HydrophobicContact CB-CD1 4.33Å; K7-L40 HydrophobicContact CB-CD2 4.08Å
8F93.9Very high79.4Confident75 Ų7574.8 Ų74.833%0.32942%0.421SS..  trans-144.5159.6176.764.1-89000111.3I6 V10 L39 G126 L127 C130I6-F8 WeakPolarHBondContact O-CD1 3.37Å; F8-V10 HydrophobicContact CD2-CG2 4.47Å; F8-V10 HydrophobicContact CE2-CG2 4.3Å; F8-L39 WeakPolarHBondContact CA-O 3.39Å; F8-L39 HydrophobicContact CB-CB 4.01Å; F8-G126 WeakPolarHBondContact CE2-O 3.49Å; F8-G126 VanDerWaalsContact CZ-C 3.43Å; F8-L127 HydrophobicContact CB-CD1 4.08Å; F8-L127 HydrophobicContact CD1-CB 4.08Å; F8-L127 HydrophobicContact CD1-CD1 3.89Å; F8-L127 HydrophobicContact CE1-CB 3.93Å; F8-L127 HydrophobicContact CG-CD1 4Å; F8-L127 HydrophobicContact CZ-CB 4.42Å; F8-C130 HydrophobicContact CD2-CB 3.66Å; F8-C130 HydrophobicContact CE2-CB 4.13Å; F8-C130 HydrophobicContact CG-CB 4.39Å
9V93.6Very high80Confident68 Ų6871.9 Ų71.941%0.41240%0.404SS..  trans-126.7128.5171.6172.50000107.6L39 L40 H42 C130V9-L39 PolarHBondContact N-O 3.45Å; V9-L40 HydrophobicContact CG2-CD2 3.9Å; V9-H42 PolarHBondContact O-CE1 2.99Å; V9-H42 VanDerWaalsContact O-CE1 3.29Å; V9-H42 PolarHBondContact O-NE2 3.49Å; V9-C130 PolarHBondContact O-SG 3.49Å
10V92Very high80.5Confident58 Ų5871.2 Ų71.235%0.35240%0.399SS..PPolyproline II helixtrans-72129174179.50000108.5F8 Y129 C130 K133F8-V10 HydrophobicContact CD2-CG2 4.47Å; F8-V10 HydrophobicContact CE2-CG2 4.3Å; V10-Y129 HydrophobicContact CG1-CD1 4.24Å; V10-Y129 HydrophobicContact CG1-CE1 3.86Å; V10-Y129 HydrophobicContact CG2-CD1 4.14Å; V10-Y129 HydrophobicContact CG2-CE1 4.44Å; V10-C130 HydrophobicContact CG2-CB 4.1Å; V10-K133 HydrophobicContact CG1-CG 4.42Å
11P86.9Confident81Confident18 Ų1868.5 Ų68.512%0.11738%0.383CS..PPolyproline II helixtrans-62.8139.2-179.526.4-35.4000111.9I17 H42 K133 L134P11-I17 HydrophobicContact CB-CD1 3.81Å; P11-I17 HydrophobicContact CB-CG1 4.31Å; P11-I17 HydrophobicContact CG-CD1 4.2Å; P11-H42 VanDerWaalsContact CA-CE1 3.49Å; P11-H42 WeakPolarHBondContact CA-CE1 3.42Å; P11-K133 HydrophobicContact CG-CB 3.86Å; P11-L134 HydrophobicContact CB-CD2 4.22Å; P11-L134 HydrophobicContact CG-CD2 3.85Å; P11-L134 HydrophobicContact CG-CG 4.21Å
12S81.3Confident82.7Confident51 Ų5160.5 Ų60.536%0.35734%0.344SS..PPolyproline II helixtrans-82.4157.2170.779.60000111S14 Q15S12-S14 PolarHBondContact O-N 2.92Å; S12-S14 VanDerWaalsContact O-N 3.12Å; S12-S14 PolarHBondContact OG-OG 2.62Å; S12-Q15 PolarHBondContact O-N 2.89Å; S12-Q15 VanDerWaalsContact O-N 3.13Å; S12-Q15 WeakPolarHBondContact OG-CB 3.49Å; S12-Q15 PolarHBondContact OG-N 3.1Å
13P72.8Confident84.3Confident148 Ų14856.4 Ų56.496%0.96132%0.322SS*.THydrogen-bonded Turntrans-59.8-22.5179.6-25.534.9000115.1
14S69.9Low85.9Confident114 Ų11455 Ų5580%0.79731%0.312SS*.THydrogen-bonded Turntrans-98.4-4.2-179.362.90000113.5S12S12-S14 PolarHBondContact O-N 2.92Å; S12-S14 VanDerWaalsContact O-N 3.12Å; S12-S14 PolarHBondContact OG-OG 2.62Å
15Q76.2Confident87.3Confident69 Ų6949.6 Ų49.632%0.32228%0.284SS..SBendtrans-83.4129.4-175.9-174.8172.9-2.600110.6S12 I17 H42S12-Q15 PolarHBondContact O-N 2.89Å; S12-Q15 VanDerWaalsContact O-N 3.13Å; S12-Q15 WeakPolarHBondContact OG-CB 3.49Å; S12-Q15 PolarHBondContact OG-N 3.1Å; Q15-I17 PolarHBondContact O-N 3.23Å; Q15-H42 VanDerWaalsContact CD-ND1 3.31Å; Q15-H42 PolarHBondContact NE2-ND1 3.22Å; Q15-H42 PolarHBondContact OE1-ND1 3.26Å
16G76.8Confident87.9Confident33 Ų3345.8 Ų45.834%0.3426%0.263SS..  trans-66.3125.1173.500000111.3
17I87.2Confident88.1Confident7 Ų745.7 Ų45.74%0.03626%0.262CS..  trans-106120.9175-66.2161.8000108.4P11 Q15 K19 H42 L134 A137 S139 A140P11-I17 HydrophobicContact CB-CD1 3.81Å; P11-I17 HydrophobicContact CB-CG1 4.31Å; P11-I17 HydrophobicContact CG-CD1 4.2Å; Q15-I17 PolarHBondContact O-N 3.23Å; I17-K19 HydrophobicContact CG2-CB 4.3Å; I17-K19 HydrophobicContact CG2-CD 4.31Å; I17-K19 HydrophobicContact CG2-CG 4.24Å; I17-H42 HydrophobicContact CG1-CB 4.25Å; I17-L134 HydrophobicContact CD1-CD2 4.08Å; I17-L134 HydrophobicContact CG1-CD2 4.2Å; I17-L134 HydrophobicContact CG2-CD2 4.21Å; I17-A137 HydrophobicContact CD1-CB 3.2Å; I17-S139 CarbonylContact O-C 3.59Å; I17-S139 WeakPolarHBondContact O-CA 3.4Å; I17-A140 PolarHBondContact O-N 3.13Å
18F90.8Very high88.1Confident21 Ų2139.3 Ų39.39%0.09224%0.238CC..BIsolated β-bridgetrans-107.390-174.5-58.5-86.4000109.5H42 V43 G44 A140 Y141 L352 T354 L404F18-H42 PolarHBondContact N-O 2.9Å; F18-V43 HydrophobicContact CD2-CG2 3.87Å; F18-G44 PolarHBondContact O-N 2.86Å; F18-A140 HydrophobicContact CD1-CB 3.82Å; F18-A140 HydrophobicContact CE1-CB 3.62Å; F18-A140 HydrophobicContact CG-CB 4.48Å; F18-A140 HydrophobicContact CZ-CB 4.09Å; F18-Y141 HydrophobicContact CD1-CD1 4.46Å; F18-Y141 AromaticContact CD1-CE1 3.64Å; F18-Y141 HydrophobicContact CD1-CE1 3.64Å; F18-Y141 HydrophobicContact CD1-CE2 4.34Å; F18-Y141 AromaticContact CD1-CZ 3.57Å; F18-Y141 WeakPolarHBondContact CD1-OH 3.45Å; F18-Y141 AromaticContact CE1-CE1 4Å; F18-Y141 HydrophobicContact CE1-CE1 4Å; F18-L352 HydrophobicContact CE2-CD2 4.04Å; F18-T354 HydrophobicContact CB-CG2 4.42Å; F18-T354 HydrophobicContact CD1-CG2 3.77Å; F18-T354 HydrophobicContact CD2-CG2 4.09Å; F18-T354 HydrophobicContact CE1-CG2 3.92Å; F18-T354 HydrophobicContact CE2-CG2 4.24Å; F18-T354 VanDerWaalsContact CE2-OG1 3.29Å; F18-T354 WeakPolarHBondContact CE2-OG1 3.26Å; F18-T354 HydrophobicContact CG-CG2 3.84Å; F18-T354 HydrophobicContact CZ-CG2 4.15Å; F18-T354 WeakPolarHBondContact CZ-OG1 3.21Å; F18-L404 HydrophobicContact CE1-CD1 4.48Å
19K91.8Very high88Confident19 Ų1935.9 Ų35.98%0.08322%0.223CC..  trans-122.28.7-171.265.8171.2176.9-175.50115.5I17 P29 L35 I37 W105 L134 M135 A137I17-K19 HydrophobicContact CG2-CB 4.3Å; I17-K19 HydrophobicContact CG2-CD 4.31Å; I17-K19 HydrophobicContact CG2-CG 4.24Å; K19-P29 WeakPolarHBondContact O-CG 3.03Å; K19-L35 WeakPolarHBondContact O-CD2 3.49Å; K19-I37 HydrophobicContact CB-CD1 3.54Å; K19-I37 HydrophobicContact CB-CG1 4.06Å; K19-W105 HydrophobicContact CD-CH2 4.36Å; K19-L134 PolarHBondContact NZ-O 2.61Å; K19-M135 PolarHBondContact NZ-O 2.91Å; K19-A137 WeakPolarHBondContact CE-O 3.49Å; K19-A137 PolarHBondContact NZ-O 3.21Å
20D88.2Confident87.8Confident57 Ų5736 Ų3631%0.30522%0.219SC..SBendtrans-104.6-22.1-176.4-33.3-103.9000113S28 P29 S139 Y141D20-S28 WeakPolarHBondContact O-CB 3.37Å; D20-P29 WeakPolarHBondContact O-CD 3.49Å; D20-S139 VanDerWaalsContact CG-CB 3.5Å; D20-S139 WeakPolarHBondContact OD1-CB 3.41Å; D20-S139 PolarHBondContact OD1-OG 3.42Å; D20-S139 WeakPolarHBondContact OD2-CB 3.46Å; D20-S139 PolarHBondContact OD2-OG 3.28Å; D20-Y141 HydrophobicContact CB-CD2 3.76Å; D20-Y141 HydrophobicContact CB-CE2 4.24Å; D20-Y141 WeakPolarHBondContact OD2-CD2 3.49Å
21E91.7Very high87.6Confident15 Ų1535.6 Ų35.67%0.0722%0.215CC..SBendtrans-152.2159.8178.355.3172.4-149.200111.9Y26 D27 Y141 K363 S401E21-Y26 WeakPolarHBondContact OE2-CD1 3.36Å; E21-D27 CarbonylContact C-O 3.54Å; E21-D27 VanDerWaalsContact CA-O 3.29Å; E21-D27 WeakPolarHBondContact CA-O 3.39Å; E21-Y141 HydrophobicContact CG-CD2 4.21Å; E21-Y141 HydrophobicContact CG-CE2 3.38Å; E21-K363 VanDerWaalsContact CD-NZ 3.28Å; E21-K363 IonicContact OE1-NZ 3.58Å; E21-K363 PolarHBondContact OE1-NZ 3.05Å; E21-K363 IonicContact OE2-NZ 3.14Å; E21-S401 PolarHBondContact OE1-OG 3.4Å
22C95.1Very high87.7Confident0 Ų044.5 Ų44.50%025%0.252CS..  trans-63.7145.6174.71790000112.2F24 C25 D27 L35 G44 C46 H49 K363C22-F24 PolarHBondContact O-N 3.35Å; C22-F24 PolarHBondContact SG-N 3.32Å; C22-C25 CarbonylContact C-O 3.57Å; C22-C25 WeakPolarHBondContact CB-O 3.44Å; C22-D27 HydrophobicContact CB-CB 4.39Å; C22-D27 PolarHBondContact N-O 2.81Å; C22-L35 HydrophobicContact CB-CD1 4.1Å; C22-G44 CarbonylContact C-O 3.56Å; C22-G44 WeakPolarHBondContact CA-O 3.34Å; C22-C46 HydrophobicContact CB-CB 4.15Å; C22-C46 PolarHBondContact SG-N 3.47Å; C22-H49 PolarHBondContact SG-ND1 3.48Å; C22-K363 WeakPolarHBondContact O-CE 3.24Å; C22-K363 PolarHBondContact O-NZ 2.93Å
23A94.6Very high88.1Confident0 Ų043.5 Ų43.50%025%0.25CC..SBendtrans-64.9-23.4176.800000115.1V43 G44 F45 P353 Q360 K363A23-V43 HydrophobicContact CB-CG1 3.48Å; A23-V43 VanDerWaalsContact CB-CG1 3.48Å; A23-G44 PolarHBondContact N-O 3.36Å; A23-F45 HydrophobicContact CB-CD1 3.93Å; A23-F45 HydrophobicContact CB-CE1 3.48Å; A23-F45 VanDerWaalsContact CB-CE1 3.48Å; A23-F45 HydrophobicContact CB-CZ 4.03Å; A23-P353 HydrophobicContact CB-CB 3.8Å; A23-P353 HydrophobicContact CB-CG 4.35Å; A23-Q360 PolarHBondContact O-NE2 3.36Å; A23-K363 WeakPolarHBondContact O-CD 3.4Å
24F94.8Very high89Confident7 Ų736.5 Ų36.53%0.03121%0.205CC..SBendtrans-118.1-6.9-173.9-59.1-40.1000114.1C22 F45 H49 D52 F346 P353 V359C22-F24 PolarHBondContact O-N 3.35Å; C22-F24 PolarHBondContact SG-N 3.32Å; F24-F45 HydrophobicContact CD2-CD1 4.28Å; F24-F45 HydrophobicContact CD2-CE1 4.3Å; F24-F45 HydrophobicContact CE2-CD1 4.16Å; F24-F45 AromaticContact CE2-CE1 3.84Å; F24-F45 HydrophobicContact CE2-CE1 3.84Å; F24-F45 HydrophobicContact CZ-CE1 4.14Å; F24-H49 HydrophobicContact CD2-CB 3.85Å; F24-H49 AromaticContact CD2-CG 3.91Å; F24-D52 HydrophobicContact CE2-CB 4.27Å; F24-F346 HydrophobicContact CB-CD1 4.49Å; F24-F346 HydrophobicContact CB-CD2 4.01Å; F24-F346 HydrophobicContact CB-CE1 4.38Å; F24-F346 HydrophobicContact CB-CE2 3.9Å; F24-F346 HydrophobicContact CB-CG 4.32Å; F24-F346 HydrophobicContact CB-CZ 4.09Å; F24-F346 HydrophobicContact CD1-CB 4.11Å; F24-F346 AromaticContact CD1-CD1 3.61Å; F24-F346 HydrophobicContact CD1-CD1 3.61Å; F24-F346 HydrophobicContact CD1-CD2 4.31Å; F24-F346 HydrophobicContact CD1-CE1 4.06Å; F24-F346 AromaticContact CD1-CG 3.75Å; F24-F346 HydrophobicContact CD1-CG 3.75Å; F24-F346 HydrophobicContact CD2-CB 4.37Å; F24-F346 HydrophobicContact CD2-CD2 4.46Å; F24-F346 HydrophobicContact CD2-CG 4.39Å; F24-F346 HydrophobicContact CE1-CB 3.95Å; F24-F346 HydrophobicContact CE1-CD1 4.03Å; F24-F346 HydrophobicContact CE1-CG 4.1Å; F24-F346 HydrophobicContact CE2-CB 4.28Å; F24-F346 HydrophobicContact CG-CB 4.33Å; F24-F346 HydrophobicContact CG-CD1 4.17Å; F24-F346 HydrophobicContact CG-CD2 4.04Å; F24-F346 HydrophobicContact CG-CE2 4.4Å; F24-F346 AromaticContact CG-CG 3.93Å; F24-F346 HydrophobicContact CG-CG 3.93Å; F24-F346 HydrophobicContact CZ-CB 4.07Å; F24-P353 HydrophobicContact CD1-CB 4.4Å; F24-P353 HydrophobicContact CE1-CB 3.73Å; F24-P353 HydrophobicContact CE1-CG 3.88Å; F24-P353 HydrophobicContact CZ-CB 4.33Å; F24-P353 HydrophobicContact CZ-CG 3.97Å; F24-V359 HydrophobicContact CD1-CG1 3.64Å; F24-V359 HydrophobicContact CE1-CG1 3.68Å
25C94.7Very high90.3Very high13 Ų1331.1 Ų31.19%0.08817%0.167CC..SBendtrans-153.3-175.617369.80000110.7C22 D27 H49 K363 Y373C22-C25 CarbonylContact C-O 3.57Å; C22-C25 WeakPolarHBondContact CB-O 3.44Å; C25-D27 VanDerWaalsContact SG-CG 3.55Å; C25-D27 PolarHBondContact SG-OD1 3.09Å; C25-H49 PolarHBondContact SG-CE1 3.35Å; C25-K363 VanDerWaalsContact O-CE 3.23Å; C25-K363 WeakPolarHBondContact O-CE 3.36Å; C25-Y373 WeakPolarHBondContact CB-OH 3.42Å
26Y93.2Very high91.3Very high15 Ų1528.2 Ų28.26%0.05915%0.153CC..  trans-99.219.8-178-64.2-84.4000113.3E21 S28 K363 L364 Y373 I397 R398E21-Y26 WeakPolarHBondContact OE2-CD1 3.36Å; Y26-S28 PolarHBondContact O-N 2.93Å; Y26-K363 HydrophobicContact CE2-CG 4.03Å; Y26-L364 WeakPolarHBondContact OH-CA 3.42Å; Y26-Y373 HydrophobicContact CD2-CD2 4.38Å; Y26-Y373 HydrophobicContact CD2-CE2 4.08Å; Y26-Y373 HydrophobicContact CG-CE2 4.5Å; Y26-Y373 PolarHBondContact N-OH 3.45Å; Y26-I397 HydrophobicContact CD1-CB 3.91Å; Y26-I397 HydrophobicContact CD1-CG2 4.32Å; Y26-I397 HydrophobicContact CD2-CB 3.78Å; Y26-I397 HydrophobicContact CD2-CD1 4.31Å; Y26-I397 HydrophobicContact CD2-CG2 3.48Å; Y26-I397 VanDerWaalsContact CD2-CG2 3.48Å; Y26-I397 HydrophobicContact CE1-CB 4.03Å; Y26-I397 HydrophobicContact CE2-CB 3.89Å; Y26-I397 HydrophobicContact CE2-CD1 3.68Å; Y26-I397 HydrophobicContact CE2-CG1 4.3Å; Y26-I397 HydrophobicContact CE2-CG2 3.97Å; Y26-I397 HydrophobicContact CG-CB 3.78Å; Y26-I397 HydrophobicContact CG-CG2 3.68Å; Y26-R398 VanDerWaalsContact CE1-O 3.29Å; Y26-R398 WeakPolarHBondContact CE1-O 3.36Å
27D92.9Very high92.3Very high9 Ų926.7 Ų26.75%0.04814%0.137CC..  trans-66.7133.5171.5-70.832.1000109E21 C22 C25 D31 C46 R48 Y373E21-D27 CarbonylContact C-O 3.54Å; E21-D27 VanDerWaalsContact CA-O 3.29Å; E21-D27 WeakPolarHBondContact CA-O 3.39Å; C22-D27 HydrophobicContact CB-CB 4.39Å; C22-D27 PolarHBondContact N-O 2.81Å; C25-D27 VanDerWaalsContact SG-CG 3.55Å; C25-D27 PolarHBondContact SG-OD1 3.09Å; D27-D31 WeakPolarHBondContact CA-OD2 3.33Å; D27-D31 HydrophobicContact CB-CB 4.23Å; D27-C46 HydrophobicContact CB-CB 3.69Å; D27-R48 VanDerWaalsContact CG-NH2 3.26Å; D27-R48 IonicContact OD1-NH2 3.86Å; D27-R48 PolarHBondContact OD1-NH2 3.43Å; D27-R48 IonicContact OD2-CZ 3.68Å; D27-R48 IonicContact OD2-NH1 3.58Å; D27-R48 PolarHBondContact OD2-NH1 2.91Å; D27-R48 IonicContact OD2-NH2 2.84Å; D27-R48 PolarHBondContact OD2-NH2 3.32Å; D27-Y373 PolarHBondContact N-OH 2.86Å; D27-Y373 PolarHBondContact OD1-OH 2.79Å
28S91.2Very high92.7Very high28 Ų2826.3 Ų26.320%0.19614%0.136CC..  trans-112.1174.9-174.573.50000111.5D20 Y26 E30 D31D20-S28 WeakPolarHBondContact O-CB 3.37Å; Y26-S28 PolarHBondContact O-N 2.93Å; S28-E30 PolarHBondContact O-N 2.6Å; S28-E30 VanDerWaalsContact O-N 3.13Å; S28-E30 PolarHBondContact OG-N 2.96Å; S28-E30 VanDerWaalsContact OG-N 3.15Å; S28-D31 PolarHBondContact N-OD2 3.43Å; S28-D31 WeakPolarHBondContact O-CB 3.41Å; S28-D31 PolarHBondContact O-N 3.19Å; S28-D31 PolarHBondContact OG-OD2 3.15Å
29P92.4Very high93Very high3 Ų325.3 Ų25.32%0.01913%0.131CC..THydrogen-bonded Turntrans-58.4-18169.2-26.235.7000114.4K19 D20 L35 Y65 V66 R67K19-P29 WeakPolarHBondContact O-CG 3.03Å; D20-P29 WeakPolarHBondContact O-CD 3.49Å; P29-L35 HydrophobicContact CB-CB 4.47Å; P29-L35 HydrophobicContact CG-CB 3.97Å; P29-L35 HydrophobicContact CG-CD2 4.19Å; P29-Y65 HydrophobicContact CB-CD1 3.69Å; P29-Y65 HydrophobicContact CB-CD2 4.47Å; P29-Y65 HydrophobicContact CB-CE1 3.92Å; P29-Y65 HydrophobicContact CB-CG 4.01Å; P29-Y65 HydrophobicContact CG-CD1 3.31Å; P29-Y65 HydrophobicContact CG-CE1 3.53Å; P29-Y65 HydrophobicContact CG-CG 4.1Å; P29-V66 WeakPolarHBondContact O-CA 3.31Å; P29-R67 HydrophobicContact CB-CB 4.07Å; P29-R67 HydrophobicContact CB-CG 3.74Å; P29-R67 PolarHBondContact O-N 3.36Å
30E88.7Confident93.1Very high70 Ų7026.6 Ų26.633%0.32714%0.138SC..THydrogen-bonded Turntrans-83.3-13.5177.1-59.6-175.1168.200112.3S28 R67 R69S28-E30 PolarHBondContact O-N 2.6Å; S28-E30 VanDerWaalsContact O-N 3.13Å; S28-E30 PolarHBondContact OG-N 2.96Å; S28-E30 VanDerWaalsContact OG-N 3.15Å; E30-R67 WeakPolarHBondContact CA-O 3.35Å; E30-R67 HydrophobicContact CG-CB 3.76Å; E30-R67 IonicContact OE1-CZ 2.8Å; E30-R67 IonicContact OE1-NE 3.69Å; E30-R67 IonicContact OE1-NH2 2.66Å; E30-R67 PolarHBondContact OE1-NH2 3.25Å; E30-R69 IonicContact OE1-CZ 2.93Å; E30-R69 IonicContact OE1-NE 2.76Å; E30-R69 PolarHBondContact OE1-NE 2.95Å; E30-R69 IonicContact OE1-NH2 3.21Å; E30-R69 PolarHBondContact OE1-NH2 2.96Å; E30-R69 IonicContact OE2-CZ 3.9Å; E30-R69 IonicContact OE2-NE 3.54Å; E30-R69 PolarHBondContact OE2-NE 2.81Å; E30-R69 IonicContact OE2-NH2 3.34Å; E30-R69 PolarHBondContact OE2-NH2 3.31Å
31D89.2Confident93.3Very high50 Ų5024.8 Ų24.827%0.26713%0.13SC..SBendtrans-79.6161.4177.7-73.2-80.1000112.9D27 S28 G33 G34D27-D31 WeakPolarHBondContact CA-OD2 3.33Å; D27-D31 HydrophobicContact CB-CB 4.23Å; S28-D31 PolarHBondContact N-OD2 3.43Å; S28-D31 WeakPolarHBondContact O-CB 3.41Å; S28-D31 PolarHBondContact O-N 3.19Å; S28-D31 PolarHBondContact OG-OD2 3.15Å; D31-G33 PolarHBondContact O-N 2.92Å; D31-G33 VanDerWaalsContact O-N 3.1Å; D31-G34 PolarHBondContact O-N 2.83Å
32K88.1Confident93.5Very high205 Ų20524 Ų2489%0.89113%0.127SC*.THydrogen-bonded Turntrans-56.1118.8-177.6-174.4-179.8-179.9179.50111.6
33G89Confident93.5Very high30 Ų3024.1 Ų24.131%0.30913%0.127SC..THydrogen-bonded Turntrans95.2-9.9179.400000114.2D31 F36 N64D31-G33 PolarHBondContact O-N 2.92Å; D31-G33 VanDerWaalsContact O-N 3.1Å; G33-F36 WeakPolarHBondContact O-CE2 3.33Å; G33-N64 PolarHBondContact O-ND2 2.9Å; G33-N64 PolarHBondContact O-OD1 3.32Å
34G93.4Very high93.5Very high2 Ų224.1 Ų24.12%0.02113%0.127CC..  trans71.6-162-177.900000113.8D31 Y65D31-G34 PolarHBondContact O-N 2.83Å; G34-Y65 CarbonylContact C-O 3.53Å; G34-Y65 WeakPolarHBondContact CA-O 3.34Å
35L96.3Very high93.6Very high0 Ų023.8 Ų23.80%013%0.125CC..EExtended strand (participates in β ladder)trans-118.3122.2-177.4-167.172.8000110.9K19 C22 P29 I37 N64 Y65K19-L35 WeakPolarHBondContact O-CD2 3.49Å; C22-L35 HydrophobicContact CB-CD1 4.1Å; P29-L35 HydrophobicContact CB-CB 4.47Å; P29-L35 HydrophobicContact CG-CB 3.97Å; P29-L35 HydrophobicContact CG-CD2 4.19Å; L35-I37 PolarHBondContact O-N 2.84Å; L35-N64 WeakPolarHBondContact O-CA 3.21Å; L35-N64 PolarHBondContact O-OD1 3.05Å; L35-Y65 PolarHBondContact N-O 2.92Å; L35-Y65 PolarHBondContact O-N 3.3Å
36F97.5Very high93.6Very high9 Ų923.3 Ų23.34%0.03912%0.122CC..EExtended strand (participates in β ladder)trans-92.5102-179.7-65.5-97.6000110.4G33 G44 F45 Q47 L50 F62 N64 A108 L113G33-F36 WeakPolarHBondContact O-CE2 3.33Å; F36-G44 WeakPolarHBondContact O-CA 3.43Å; F36-F45 WeakPolarHBondContact CB-O 3.48Å; F36-F45 PolarHBondContact N-O 2.86Å; F36-F45 PolarHBondContact O-N 2.67Å; F36-Q47 HydrophobicContact CE2-CB 3.96Å; F36-Q47 HydrophobicContact CE2-CG 4.36Å; F36-L50 HydrophobicContact CB-CD1 4.39Å; F36-L50 HydrophobicContact CB-CD2 3.71Å; F36-L50 HydrophobicContact CB-CG 4.4Å; F36-L50 HydrophobicContact CD1-CD1 4.11Å; F36-L50 HydrophobicContact CD2-CD1 3.93Å; F36-L50 HydrophobicContact CD2-CG 4.46Å; F36-L50 HydrophobicContact CE1-CD1 4.37Å; F36-L50 HydrophobicContact CE2-CD1 4.23Å; F36-L50 HydrophobicContact CG-CD1 3.88Å; F36-L50 HydrophobicContact CG-CD2 4.13Å; F36-L50 HydrophobicContact CG-CG 4.38Å; F36-L50 HydrophobicContact CZ-CD1 4.44Å; F36-F62 HydrophobicContact CB-CB 3.88Å; F36-F62 HydrophobicContact CB-CD1 4Å; F36-F62 HydrophobicContact CB-CG 4.05Å; F36-F62 HydrophobicContact CD1-CB 4.11Å; F36-N64 HydrophobicContact CD1-CB 3.89Å; F36-N64 HydrophobicContact CE1-CB 3.88Å; F36-N64 HydrophobicContact CZ-CB 4.48Å; F36-A108 HydrophobicContact CD1-CB 4.33Å; F36-A108 HydrophobicContact CE1-CB 4.01Å; F36-L113 HydrophobicContact CD1-CD2 4.42Å; F36-L113 HydrophobicContact CE1-CD2 4.12Å
37I97.1Very high93.7Very high0 Ų027.7 Ų27.70%014%0.144CC..EExtended strand (participates in β ladder)trans-83117.4-179.7-54.9160.2000109.1K19 L35 L39 F62 L63 W105K19-I37 HydrophobicContact CB-CD1 3.54Å; K19-I37 HydrophobicContact CB-CG1 4.06Å; L35-I37 PolarHBondContact O-N 2.84Å; I37-L39 PolarHBondContact O-N 3.16Å; I37-F62 CarbonylContact O-C 3.59Å; I37-F62 VanDerWaalsContact O-CA 3.23Å; I37-F62 WeakPolarHBondContact O-CA 3.15Å; I37-L63 HydrophobicContact CB-CB 4.37Å; I37-L63 WeakPolarHBondContact CB-O 2.99Å; I37-L63 PolarHBondContact N-O 3.23Å; I37-L63 PolarHBondContact O-N 3.29Å; I37-W105 HydrophobicContact CD1-CH2 4.35Å; I37-W105 HydrophobicContact CD1-CZ3 3.83Å
38C96.5Very high93.7Very high0 Ų034 Ų340%017%0.167CC..EExtended strand (participates in β ladder)trans-63126179.9-178.70000111.3L40 C41 H42 V43 F45 H53 H59 F62C38-L40 PolarHBondContact O-N 3.47Å; C38-L40 VanDerWaalsContact O-N 3.16Å; C38-C41 VanDerWaalsContact CB-SG 3.51Å; C38-C41 VanDerWaalsContact SG-SG 3.6Å; C38-H42 VanDerWaalsContact O-CA 3.24Å; C38-H42 WeakPolarHBondContact O-CA 3.27Å; C38-H42 PolarHBondContact O-N 3.41Å; C38-V43 PolarHBondContact N-O 3.3Å; C38-F45 HydrophobicContact CB-CE2 4.23Å; C38-H53 PolarHBondContact SG-NE2 2.93Å; C38-H59 VanDerWaalsContact SG-CB 3.56Å; C38-H59 PolarHBondContact SG-ND1 3.42Å; C38-F62 HydrophobicContact CB-CD1 4.04Å; C38-F62 HydrophobicContact CB-CE1 3.94Å
39L96Very high93.9Very high0 Ų034 Ų340%016%0.163CC..THydrogen-bonded Turntrans-71-8.7-177.9-69.1174.1000114.3I6 F8 V9 I37 A61 L63 V107 L127 L134I6-L39 HydrophobicContact CG2-CD1 4.02Å; F8-L39 WeakPolarHBondContact CA-O 3.39Å; F8-L39 HydrophobicContact CB-CB 4.01Å; V9-L39 PolarHBondContact N-O 3.45Å; I37-L39 PolarHBondContact O-N 3.16Å; L39-A61 HydrophobicContact CD1-CB 3.87Å; L39-A61 PolarHBondContact N-O 3.36Å; L39-A61 VanDerWaalsContact N-O 3.09Å; L39-L63 HydrophobicContact CD2-CB 3.94Å; L39-V107 HydrophobicContact CD1-CG1 4.39Å; L39-L127 HydrophobicContact CD1-CD1 3.73Å; L39-L127 HydrophobicContact CD2-CD1 4.44Å; L39-L134 HydrophobicContact CD2-CD1 3.91Å
40L94.7Very high94Very high45 Ų4533.8 Ų33.824%0.23616%0.162CC..THydrogen-bonded Turntrans-102-43.3178.4-71.5172.3000113.2K7 V9 C38 H59K7-L40 HydrophobicContact CB-CD1 4.33Å; K7-L40 HydrophobicContact CB-CD2 4.08Å; V9-L40 HydrophobicContact CG2-CD2 3.9Å; C38-L40 PolarHBondContact O-N 3.47Å; C38-L40 VanDerWaalsContact O-N 3.16Å; L40-H59 HydrophobicContact CD1-CB 4.21Å; L40-H59 VanDerWaalsContact CD1-CD2 3.48Å; L40-H59 WeakPolarHBondContact CD1-CD2 3.47Å
41C93.4Very high94.2Very high19 Ų1935.3 Ų35.313%0.12817%0.169CC..THydrogen-bonded Turntrans-111.4-2.9-17671.30000114.5C38 V43 L352C38-C41 VanDerWaalsContact CB-SG 3.51Å; C38-C41 VanDerWaalsContact SG-SG 3.6Å; C41-V43 PolarHBondContact O-N 2.96Å; C41-L352 HydrophobicContact CB-CD1 3.86Å
42H94.6Very high94.3Very high0 Ų033.5 Ų33.50%016%0.16CC..  trans58.130175.9-46.5141.7000115.2V9 P11 Q15 I17 F18 C38 L134V9-H42 PolarHBondContact O-CE1 2.99Å; V9-H42 VanDerWaalsContact O-CE1 3.29Å; V9-H42 PolarHBondContact O-NE2 3.49Å; P11-H42 VanDerWaalsContact CA-CE1 3.49Å; P11-H42 WeakPolarHBondContact CA-CE1 3.42Å; Q15-H42 VanDerWaalsContact CD-ND1 3.31Å; Q15-H42 PolarHBondContact NE2-ND1 3.22Å; Q15-H42 PolarHBondContact OE1-ND1 3.26Å; I17-H42 HydrophobicContact CG1-CB 4.25Å; F18-H42 PolarHBondContact N-O 2.9Å; C38-H42 VanDerWaalsContact O-CA 3.24Å; C38-H42 WeakPolarHBondContact O-CA 3.27Å; C38-H42 PolarHBondContact O-N 3.41Å; H42-L134 HydrophobicContact CB-CD2 4.09Å
43V94.5Very high94.6Very high1 Ų124 Ų241%0.00612%0.118CC..BIsolated β-bridgetrans-106.8134.6175.2175.60000110.2F18 A23 C38 C41 F45 L352 T354F18-V43 HydrophobicContact CD2-CG2 3.87Å; A23-V43 HydrophobicContact CB-CG1 3.48Å; A23-V43 VanDerWaalsContact CB-CG1 3.48Å; C38-V43 PolarHBondContact N-O 3.3Å; C41-V43 PolarHBondContact O-N 2.96Å; V43-F45 HydrophobicContact CB-CE2 3.87Å; V43-F45 HydrophobicContact CB-CZ 4.09Å; V43-F45 HydrophobicContact CG1-CD2 4.47Å; V43-F45 HydrophobicContact CG1-CE1 4.29Å; V43-F45 HydrophobicContact CG1-CE2 3.72Å; V43-F45 HydrophobicContact CG1-CZ 3.61Å; V43-F45 VanDerWaalsContact O-CD2 3.27Å; V43-F45 WeakPolarHBondContact O-CD2 3.18Å; V43-F45 VanDerWaalsContact O-CE2 3.24Å; V43-F45 WeakPolarHBondContact O-CE2 3.17Å; V43-L352 HydrophobicContact CG2-CD1 3.5Å; V43-L352 VanDerWaalsContact CG2-CD1 3.5Å; V43-L352 HydrophobicContact CG2-CD2 4.01Å; V43-L352 HydrophobicContact CG2-CG 3.83Å; V43-T354 HydrophobicContact CG1-CG2 4.47Å
44G95.4Very high94.8Very high0 Ų023 Ų230%011%0.106CC..EExtended strand (participates in β ladder)trans-79.5138.5176.500000114F18 C22 A23 F36F18-G44 PolarHBondContact O-N 2.86Å; C22-G44 CarbonylContact C-O 3.56Å; C22-G44 WeakPolarHBondContact CA-O 3.34Å; A23-G44 PolarHBondContact N-O 3.36Å; F36-G44 WeakPolarHBondContact O-CA 3.43Å
45F96.7Very high94.7Very high0 Ų026.4 Ų26.40%013%0.127CC..EExtended strand (participates in β ladder)trans-132.6137.2174.8-60.2-88.2000110.1A23 F24 F36 C38 V43 H49 L50 H53 F62 P353A23-F45 HydrophobicContact CB-CD1 3.93Å; A23-F45 HydrophobicContact CB-CE1 3.48Å; A23-F45 VanDerWaalsContact CB-CE1 3.48Å; A23-F45 HydrophobicContact CB-CZ 4.03Å; F24-F45 HydrophobicContact CD2-CD1 4.28Å; F24-F45 HydrophobicContact CD2-CE1 4.3Å; F24-F45 HydrophobicContact CE2-CD1 4.16Å; F24-F45 AromaticContact CE2-CE1 3.84Å; F24-F45 HydrophobicContact CE2-CE1 3.84Å; F24-F45 HydrophobicContact CZ-CE1 4.14Å; F36-F45 WeakPolarHBondContact CB-O 3.48Å; F36-F45 PolarHBondContact N-O 2.86Å; F36-F45 PolarHBondContact O-N 2.67Å; C38-F45 HydrophobicContact CB-CE2 4.23Å; V43-F45 HydrophobicContact CB-CE2 3.87Å; V43-F45 HydrophobicContact CB-CZ 4.09Å; V43-F45 HydrophobicContact CG1-CD2 4.47Å; V43-F45 HydrophobicContact CG1-CE1 4.29Å; V43-F45 HydrophobicContact CG1-CE2 3.72Å; V43-F45 HydrophobicContact CG1-CZ 3.61Å; V43-F45 VanDerWaalsContact O-CD2 3.27Å; V43-F45 WeakPolarHBondContact O-CD2 3.18Å; V43-F45 VanDerWaalsContact O-CE2 3.24Å; V43-F45 WeakPolarHBondContact O-CE2 3.17Å; F45-H49 HydrophobicContact CD1-CB 4.46Å; F45-L50 HydrophobicContact CB-CD2 4.2Å; F45-H53 HydrophobicContact CD1-CB 3.99Å; F45-H53 HydrophobicContact CD2-CB 4.44Å; F45-H53 HydrophobicContact CE1-CB 3.78Å; F45-H53 AromaticContact CE1-CG 3.85Å; F45-H53 AromaticContact CE1-ND1 3.85Å; F45-H53 HydrophobicContact CE2-CB 4.26Å; F45-H53 AromaticContact CE2-CD2 3.62Å; F45-H53 AromaticContact CE2-CE1 3.63Å; F45-H53 AromaticContact CE2-CG 3.6Å; F45-H53 AromaticContact CE2-ND1 3.65Å; F45-H53 AromaticContact CE2-NE2 3.62Å; F45-H53 HydrophobicContact CG-CB 4.32Å; F45-H53 HydrophobicContact CZ-CB 3.93Å; F45-H53 AromaticContact CZ-CD2 3.96Å; F45-H53 AromaticContact CZ-CE1 3.55Å; F45-H53 AromaticContact CZ-CG 3.45Å; F45-H53 VanDerWaalsContact CZ-CG 3.45Å; F45-H53 AromaticContact CZ-ND1 3.2Å; F45-H53 WeakPolarHBondContact CZ-ND1 3.24Å; F45-F62 HydrophobicContact CD2-CE1 4.33Å; F45-P353 HydrophobicContact CE1-CG 4.42Å; F45-P353 HydrophobicContact CZ-CG 4.34Å
46C95.6Very high94.4Very high3 Ų328.8 Ų28.82%0.0214%0.141CC..  trans-72.1162.1167.676.60000109.8C22 D27 R48 H49 L50C22-C46 HydrophobicContact CB-CB 4.15Å; C22-C46 PolarHBondContact SG-N 3.47Å; D27-C46 HydrophobicContact CB-CB 3.69Å; C46-R48 PolarHBondContact O-N 2.79Å; C46-H49 PolarHBondContact O-N 3.29Å; C46-H49 PolarHBondContact SG-ND1 3.17Å; C46-L50 PolarHBondContact O-N 3.24Å
47Q94.3Very high94.2Very high108 Ų10831 Ų3151%0.50515%0.151SC..G310 helixtrans-54.5-33.5-175.7-168.1176.2-3.100113.5F36 H49 L50 L113F36-Q47 HydrophobicContact CE2-CB 3.96Å; F36-Q47 HydrophobicContact CE2-CG 4.36Å; Q47-H49 VanDerWaalsContact C-N 3.32Å; Q47-H49 PolarHBondContact O-N 3.1Å; Q47-L50 HydrophobicContact CG-CD1 4.42Å; Q47-L113 HydrophobicContact CG-CD1 4.31Å
48R93.5Very high94Very high142 Ų14237.2 Ų37.254%0.53618%0.178SC..G310 helixtrans-66.6-32.5179.7-58.8-170.4-62-82.31.6112.9D27 C46D27-R48 VanDerWaalsContact CG-NH2 3.26Å; D27-R48 IonicContact OD1-NH2 3.86Å; D27-R48 PolarHBondContact OD1-NH2 3.43Å; D27-R48 IonicContact OD2-CZ 3.68Å; D27-R48 IonicContact OD2-NH1 3.58Å; D27-R48 PolarHBondContact OD2-NH1 2.91Å; D27-R48 IonicContact OD2-NH2 2.84Å; D27-R48 PolarHBondContact OD2-NH2 3.32Å; C46-R48 PolarHBondContact O-N 2.79Å
49H94.9Very high93.8Very high26 Ų2639 Ų3912%0.1219%0.186CC..G310 helixtrans-96.4-4.2-173.4-70.5139.2000113.9C22 F24 C25 F45 C46 Q47 Q51 D52 H53C22-H49 PolarHBondContact SG-ND1 3.48Å; F24-H49 HydrophobicContact CD2-CB 3.85Å; F24-H49 AromaticContact CD2-CG 3.91Å; C25-H49 PolarHBondContact SG-CE1 3.35Å; F45-H49 HydrophobicContact CD1-CB 4.46Å; C46-H49 PolarHBondContact O-N 3.29Å; C46-H49 PolarHBondContact SG-ND1 3.17Å; Q47-H49 VanDerWaalsContact C-N 3.32Å; Q47-H49 PolarHBondContact O-N 3.1Å; H49-Q51 VanDerWaalsContact C-N 3.28Å; H49-Q51 PolarHBondContact O-N 3.22Å; H49-D52 IonicContact CD2-OD2 2.75Å; H49-D52 PolarHBondContact O-N 3.03Å; H49-H53 PolarHBondContact O-N 3.37Å; H49-H53 VanDerWaalsContact O-N 3.15Å
50L94.2Very high93.8Very high0 Ų043.1 Ų43.10%020%0.204CC..Hα-helixtrans-56.6-43.1174-76174.8000111.9F36 F45 C46 Q47 D52 H53 V54 F62 Y110 L113F36-L50 HydrophobicContact CB-CD1 4.39Å; F36-L50 HydrophobicContact CB-CD2 3.71Å; F36-L50 HydrophobicContact CB-CG 4.4Å; F36-L50 HydrophobicContact CD1-CD1 4.11Å; F36-L50 HydrophobicContact CD2-CD1 3.93Å; F36-L50 HydrophobicContact CD2-CG 4.46Å; F36-L50 HydrophobicContact CE1-CD1 4.37Å; F36-L50 HydrophobicContact CE2-CD1 4.23Å; F36-L50 HydrophobicContact CG-CD1 3.88Å; F36-L50 HydrophobicContact CG-CD2 4.13Å; F36-L50 HydrophobicContact CG-CG 4.38Å; F36-L50 HydrophobicContact CZ-CD1 4.44Å; F45-L50 HydrophobicContact CB-CD2 4.2Å; C46-L50 PolarHBondContact O-N 3.24Å; Q47-L50 HydrophobicContact CG-CD1 4.42Å; L50-D52 PolarHBondContact O-N 2.97Å; L50-H53 PolarHBondContact O-N 3.2Å; L50-V54 WeakPolarHBondContact O-CB 3.32Å; L50-V54 WeakPolarHBondContact O-CG2 3.41Å; L50-V54 PolarHBondContact O-N 3.45Å; L50-F62 HydrophobicContact CD2-CD1 3.78Å; L50-F62 HydrophobicContact CD2-CD2 4.03Å; L50-F62 HydrophobicContact CD2-CE1 3.51Å; L50-F62 HydrophobicContact CD2-CE2 3.77Å; L50-F62 HydrophobicContact CD2-CG 4.06Å; L50-F62 HydrophobicContact CD2-CZ 3.52Å; L50-Y110 HydrophobicContact CB-CD2 4.1Å; L50-Y110 HydrophobicContact CB-CE2 4.22Å; L50-L113 HydrophobicContact CD1-CD1 3.63Å; L50-L113 HydrophobicContact CD1-CD2 3.85Å; L50-L113 HydrophobicContact CD1-CG 4.41Å
51Q93.3Very high93.8Very high101 Ų10141.5 Ų41.547%0.47220%0.197SC..Hα-helixtrans-61.8-43.5-179.5-176.1178.710.900111.8H49 T55H49-Q51 VanDerWaalsContact C-N 3.28Å; H49-Q51 PolarHBondContact O-N 3.22Å; Q51-T55 VanDerWaalsContact O-CB 3.25Å; Q51-T55 WeakPolarHBondContact O-CB 3.42Å; Q51-T55 PolarHBondContact O-N 3.49Å; Q51-T55 PolarHBondContact O-OG1 2.9Å
52D91.6Very high94Very high13 Ų1340.6 Ų40.67%0.0719%0.191CC..Hα-helixtrans-64.5-46.7-179.4-58.2-50.8000110F24 H49 L50 T55 V56 R343 N347F24-D52 HydrophobicContact CE2-CB 4.27Å; H49-D52 IonicContact CD2-OD2 2.75Å; H49-D52 PolarHBondContact O-N 3.03Å; L50-D52 PolarHBondContact O-N 2.97Å; D52-T55 PolarHBondContact O-N 3.07Å; D52-V56 WeakPolarHBondContact O-CG2 3.35Å; D52-V56 PolarHBondContact O-N 3.23Å; D52-V56 VanDerWaalsContact O-N 3.16Å; D52-R343 IonicContact OD1-NE 3.49Å; D52-R343 IonicContact OD1-NH2 2.97Å; D52-N347 PolarHBondContact OD1-OD1 2.82Å
53H94.1Very high94.1Very high5 Ų540.6 Ų40.62%0.02319%0.191CC..Hα-helixtrans-62.7-45.8176.4-179.365.1000113.3C38 F45 H49 L50 T55 V56 K57 H59 F62C38-H53 PolarHBondContact SG-NE2 2.93Å; F45-H53 HydrophobicContact CD1-CB 3.99Å; F45-H53 HydrophobicContact CD2-CB 4.44Å; F45-H53 HydrophobicContact CE1-CB 3.78Å; F45-H53 AromaticContact CE1-CG 3.85Å; F45-H53 AromaticContact CE1-ND1 3.85Å; F45-H53 HydrophobicContact CE2-CB 4.26Å; F45-H53 AromaticContact CE2-CD2 3.62Å; F45-H53 AromaticContact CE2-CE1 3.63Å; F45-H53 AromaticContact CE2-CG 3.6Å; F45-H53 AromaticContact CE2-ND1 3.65Å; F45-H53 AromaticContact CE2-NE2 3.62Å; F45-H53 HydrophobicContact CG-CB 4.32Å; F45-H53 HydrophobicContact CZ-CB 3.93Å; F45-H53 AromaticContact CZ-CD2 3.96Å; F45-H53 AromaticContact CZ-CE1 3.55Å; F45-H53 AromaticContact CZ-CG 3.45Å; F45-H53 VanDerWaalsContact CZ-CG 3.45Å; F45-H53 AromaticContact CZ-ND1 3.2Å; F45-H53 WeakPolarHBondContact CZ-ND1 3.24Å; H49-H53 PolarHBondContact O-N 3.37Å; H49-H53 VanDerWaalsContact O-N 3.15Å; L50-H53 PolarHBondContact O-N 3.2Å; H53-T55 VanDerWaalsContact C-N 3.29Å; H53-T55 PolarHBondContact O-N 3.47Å; H53-V56 PolarHBondContact O-N 2.79Å; H53-K57 WeakPolarHBondContact O-CB 3.32Å; H53-K57 PolarHBondContact O-N 3.43Å; H53-H59 AromaticContact CE1-ND1 3.87Å; H53-H59 AromaticContact NE2-CG 3.94Å; H53-H59 AromaticContact NE2-ND1 3.62Å; H53-F62 AromaticContact CD2-CE1 3.8Å; H53-F62 AromaticContact CD2-CZ 3.93Å
54V93.6Very high94.2Very high9 Ų941.4 Ų41.46%0.05520%0.195CC..Hα-helixtrans-62.1-39.7177.61720000110.5L50 V56 K58 H59 F60 F62 Y110L50-V54 WeakPolarHBondContact O-CB 3.32Å; L50-V54 WeakPolarHBondContact O-CG2 3.41Å; L50-V54 PolarHBondContact O-N 3.45Å; V54-V56 VanDerWaalsContact C-N 3.35Å; V54-V56 PolarHBondContact O-N 3.37Å; V54-K58 VanDerWaalsContact O-CA 3.24Å; V54-K58 WeakPolarHBondContact O-CA 3.25Å; V54-K58 WeakPolarHBondContact O-CD 3.46Å; V54-K58 PolarHBondContact O-N 2.94Å; V54-H59 VanDerWaalsContact CG2-O 3.27Å; V54-H59 WeakPolarHBondContact CG2-O 3.43Å; V54-F60 HydrophobicContact CG1-CD1 3.73Å; V54-F60 HydrophobicContact CG1-CE1 3.39Å; V54-F60 HydrophobicContact CG1-CZ 3.99Å; V54-F62 HydrophobicContact CG2-CE2 4.25Å; V54-F62 HydrophobicContact CG2-CZ 4.06Å; V54-Y110 HydrophobicContact CB-CD1 4.28Å; V54-Y110 HydrophobicContact CB-CE1 4.43Å; V54-Y110 HydrophobicContact CG1-CD1 3.88Å; V54-Y110 HydrophobicContact CG1-CE1 4.11Å; V54-Y110 HydrophobicContact CG2-CD1 3.86Å; V54-Y110 HydrophobicContact CG2-CD2 4.39Å; V54-Y110 HydrophobicContact CG2-CE1 4.38Å; V54-Y110 HydrophobicContact CG2-CG 3.86Å
55T91.4Very high94.3Very high74 Ų7442.1 Ų42.145%0.45420%0.198SC..Hα-helixtrans-62.7-43.4-179.3-62.30000111.3Q51 D52 H53 K58Q51-T55 VanDerWaalsContact O-CB 3.25Å; Q51-T55 WeakPolarHBondContact O-CB 3.42Å; Q51-T55 PolarHBondContact O-N 3.49Å; Q51-T55 PolarHBondContact O-OG1 2.9Å; D52-T55 PolarHBondContact O-N 3.07Å; H53-T55 VanDerWaalsContact C-N 3.29Å; H53-T55 PolarHBondContact O-N 3.47Å; T55-K58 WeakPolarHBondContact O-CE 3.36Å; T55-K58 PolarHBondContact O-NZ 3.25Å
56V90.5Very high94.2Very high50 Ų5043.8 Ų43.830%0.30321%0.208SC..Hα-helixtrans-80.2-54.2-177.5178.70000112D52 H53 V54 N347 C349D52-V56 WeakPolarHBondContact O-CG2 3.35Å; D52-V56 PolarHBondContact O-N 3.23Å; D52-V56 VanDerWaalsContact O-N 3.16Å; H53-V56 PolarHBondContact O-N 2.79Å; V54-V56 VanDerWaalsContact C-N 3.35Å; V54-V56 PolarHBondContact O-N 3.37Å; V56-N347 WeakPolarHBondContact CG2-O 3.4Å; V56-C349 WeakPolarHBondContact CG1-O 3.41Å
57K91.9Very high93.9Very high54 Ų5447.1 Ų47.124%0.23522%0.22CC..Hα-helixtrans-92-15.6-170.1-60.3-63.8-177.7174.20114.4H53 H59 E350 Y351H53-K57 WeakPolarHBondContact O-CB 3.32Å; H53-K57 PolarHBondContact O-N 3.43Å; K57-H59 HydrophobicContact CB-CB 4.41Å; K57-H59 PolarHBondContact O-CD2 2.91Å; K57-H59 PolarHBondContact O-N 3.47Å; K57-E350 VanDerWaalsContact NZ-C 3.27Å; K57-E350 PolarHBondContact NZ-O 2.76Å; K57-Y351 WeakPolarHBondContact CE-O 3.5Å; K57-Y351 PolarHBondContact NZ-O 2.65Å
58K92.7Very high93.6Very high131 Ų13146.4 Ų46.457%0.5722%0.217SC*.  trans56.234.1-172.2-49.2-55.4-174.1-160.30112.7V54 T55 F60V54-K58 VanDerWaalsContact O-CA 3.24Å; V54-K58 WeakPolarHBondContact O-CA 3.25Å; V54-K58 WeakPolarHBondContact O-CD 3.46Å; V54-K58 PolarHBondContact O-N 2.94Å; T55-K58 WeakPolarHBondContact O-CE 3.36Å; T55-K58 PolarHBondContact O-NZ 3.25Å; K58-F60 HydrophobicContact CB-CE2 4.05Å; K58-F60 WeakPolarHBondContact O-CD2 3.46Å; K58-F60 WeakPolarHBondContact O-CE2 3.35Å
59H94.1Very high92.9Very high38 Ų3843.7 Ų43.718%0.17621%0.207CC..  trans-96.9117174.7-64-178.8000109.5C38 L40 H53 V54 K57 F62C38-H59 VanDerWaalsContact SG-CB 3.56Å; C38-H59 PolarHBondContact SG-ND1 3.42Å; L40-H59 HydrophobicContact CD1-CB 4.21Å; L40-H59 VanDerWaalsContact CD1-CD2 3.48Å; L40-H59 WeakPolarHBondContact CD1-CD2 3.47Å; H53-H59 AromaticContact CE1-ND1 3.87Å; H53-H59 AromaticContact NE2-CG 3.94Å; H53-H59 AromaticContact NE2-ND1 3.62Å; V54-H59 VanDerWaalsContact CG2-O 3.27Å; V54-H59 WeakPolarHBondContact CG2-O 3.43Å; K57-H59 HydrophobicContact CB-CB 4.41Å; K57-H59 PolarHBondContact O-CD2 2.91Å; K57-H59 PolarHBondContact O-N 3.47Å; H59-F62 WeakPolarHBondContact O-CZ 3.48Å
60F95Very high92Very high87 Ų8747.2 Ų47.238%0.38222%0.222SC..  trans-106.8-14-169.5-64.7-89.3000115V54 K58 F62 V109 Y110V54-F60 HydrophobicContact CG1-CD1 3.73Å; V54-F60 HydrophobicContact CG1-CE1 3.39Å; V54-F60 HydrophobicContact CG1-CZ 3.99Å; K58-F60 HydrophobicContact CB-CE2 4.05Å; K58-F60 WeakPolarHBondContact O-CD2 3.46Å; K58-F60 WeakPolarHBondContact O-CE2 3.35Å; F60-F62 VanDerWaalsContact C-CE2 3.42Å; F60-F62 WeakPolarHBondContact O-CD2 3.3Å; F60-F62 VanDerWaalsContact O-CE2 3.32Å; F60-F62 WeakPolarHBondContact O-CE2 3.48Å; F60-V109 WeakPolarHBondContact O-CA 3.27Å; F60-Y110 HydrophobicContact CD1-CD1 4.41Å; F60-Y110 PolarHBondContact O-N 3.23Å
61A95.3Very high90.7Very high10 Ų1054.1 Ų54.18%0.08325%0.254CS..EExtended strand (participates in β ladder)trans-114.3136.7-17200000112.6I6 L39 V109I6-A61 HydrophobicContact CG2-CB 3.51Å; L39-A61 HydrophobicContact CD1-CB 3.87Å; L39-A61 PolarHBondContact N-O 3.36Å; L39-A61 VanDerWaalsContact N-O 3.09Å; A61-V109 HydrophobicContact CB-CG2 4.48Å
62F96.9Very high89.5Confident0 Ų053 Ų530%025%0.251CS..EExtended strand (participates in β ladder)trans-139.6146.1-169.7-56-92.2000111.9F36 I37 C38 F45 L50 H53 V54 H59 F60 V107 A108F36-F62 HydrophobicContact CB-CB 3.88Å; F36-F62 HydrophobicContact CB-CD1 4Å; F36-F62 HydrophobicContact CB-CG 4.05Å; F36-F62 HydrophobicContact CD1-CB 4.11Å; I37-F62 CarbonylContact O-C 3.59Å; I37-F62 VanDerWaalsContact O-CA 3.23Å; I37-F62 WeakPolarHBondContact O-CA 3.15Å; C38-F62 HydrophobicContact CB-CD1 4.04Å; C38-F62 HydrophobicContact CB-CE1 3.94Å; F45-F62 HydrophobicContact CD2-CE1 4.33Å; L50-F62 HydrophobicContact CD2-CD1 3.78Å; L50-F62 HydrophobicContact CD2-CD2 4.03Å; L50-F62 HydrophobicContact CD2-CE1 3.51Å; L50-F62 HydrophobicContact CD2-CE2 3.77Å; L50-F62 HydrophobicContact CD2-CG 4.06Å; L50-F62 HydrophobicContact CD2-CZ 3.52Å; H53-F62 AromaticContact CD2-CE1 3.8Å; H53-F62 AromaticContact CD2-CZ 3.93Å; V54-F62 HydrophobicContact CG2-CE2 4.25Å; V54-F62 HydrophobicContact CG2-CZ 4.06Å; H59-F62 WeakPolarHBondContact O-CZ 3.48Å; F60-F62 VanDerWaalsContact C-CE2 3.42Å; F60-F62 WeakPolarHBondContact O-CD2 3.3Å; F60-F62 VanDerWaalsContact O-CE2 3.32Å; F60-F62 WeakPolarHBondContact O-CE2 3.48Å; F62-V107 CarbonylContact O-C 3.47Å; F62-V107 WeakPolarHBondContact O-CA 3.2Å; F62-A108 PolarHBondContact N-O 2.74Å; F62-A108 PolarHBondContact O-N 3.32Å
63L97.1Very high87.9Confident0 Ų058.5 Ų58.50%029%0.285CS..EExtended strand (participates in β ladder)trans-93.3108.9163.4177.165.3000107.8I37 L39 W105 T106 V107 L118 C131 L134 M135I37-L63 HydrophobicContact CB-CB 4.37Å; I37-L63 WeakPolarHBondContact CB-O 2.99Å; I37-L63 PolarHBondContact N-O 3.23Å; I37-L63 PolarHBondContact O-N 3.29Å; L39-L63 HydrophobicContact CD2-CB 3.94Å; L63-W105 HydrophobicContact CD1-CE3 4.04Å; L63-W105 HydrophobicContact CD2-CE3 3.75Å; L63-W105 HydrophobicContact CD2-CZ3 3.71Å; L63-W105 HydrophobicContact CG-CE3 3.76Å; L63-W105 HydrophobicContact CG-CZ3 4.02Å; L63-T106 CarbonylContact C-O 3.5Å; L63-V107 HydrophobicContact CD1-CG2 4.25Å; L63-L118 HydrophobicContact CD1-CD1 4.48Å; L63-L118 HydrophobicContact CD1-CD2 4.42Å; L63-C131 HydrophobicContact CD1-CB 4.27Å; L63-C131 HydrophobicContact CD2-CB 4.47Å; L63-L134 HydrophobicContact CD2-CB 3.85Å; L63-L134 HydrophobicContact CD2-CD1 4.19Å; L63-M135 HydrophobicContact CD2-CG 4.31Å
64N97.1Very high85.9Confident19 Ų1963.9 Ų63.910%0.10232%0.32CS..EExtended strand (participates in β ladder)trans-80.9126.8176.3-172.321.3000110.6G33 L35 F36 W105 T106G33-N64 PolarHBondContact O-ND2 2.9Å; G33-N64 PolarHBondContact O-OD1 3.32Å; L35-N64 WeakPolarHBondContact O-CA 3.21Å; L35-N64 PolarHBondContact O-OD1 3.05Å; F36-N64 HydrophobicContact CD1-CB 3.89Å; F36-N64 HydrophobicContact CE1-CB 3.88Å; F36-N64 HydrophobicContact CZ-CB 4.48Å; N64-W105 WeakPolarHBondContact O-CA 3.37Å; N64-T106 PolarHBondContact N-O 3.05Å; N64-T106 PolarHBondContact O-N 3.15Å
65Y95.8Very high83.7Confident15 Ų1572.5 Ų72.56%0.05936%0.36CS..EExtended strand (participates in β ladder)trans-117.4117.6179.6179.5-153.5000109.8P29 G34 L35 R67 E103 W105P29-Y65 HydrophobicContact CB-CD1 3.69Å; P29-Y65 HydrophobicContact CB-CD2 4.47Å; P29-Y65 HydrophobicContact CB-CE1 3.92Å; P29-Y65 HydrophobicContact CB-CG 4.01Å; P29-Y65 HydrophobicContact CG-CD1 3.31Å; P29-Y65 HydrophobicContact CG-CE1 3.53Å; P29-Y65 HydrophobicContact CG-CG 4.1Å; G34-Y65 CarbonylContact C-O 3.53Å; G34-Y65 WeakPolarHBondContact CA-O 3.34Å; L35-Y65 PolarHBondContact N-O 2.92Å; L35-Y65 PolarHBondContact O-N 3.3Å; Y65-R67 HydrophobicContact CD2-CG 4.3Å; Y65-R67 HydrophobicContact CE1-CG 4.22Å; Y65-R67 HydrophobicContact CE2-CG 3.51Å; Y65-R67 VanDerWaalsContact CZ-CG 3.5Å; Y65-R67 VanDerWaalsContact OH-CD 3.26Å; Y65-R67 WeakPolarHBondContact OH-CD 3.39Å; Y65-E103 HydrophobicContact CE2-CB 4.09Å; Y65-E103 HydrophobicContact CE2-CG 4.06Å; Y65-E103 VanDerWaalsContact OH-CD 3.31Å; Y65-E103 PolarHBondContact OH-OE1 2.99Å; Y65-W105 AromaticContact CD1-CH2 3.62Å; Y65-W105 HydrophobicContact CD1-CH2 3.62Å; Y65-W105 HydrophobicContact CD1-CZ2 4.05Å; Y65-W105 HydrophobicContact CD1-CZ3 4.15Å; Y65-W105 AromaticContact CD2-CD2 3.77Å; Y65-W105 HydrophobicContact CD2-CD2 3.77Å; Y65-W105 AromaticContact CD2-CE2 3.36Å; Y65-W105 AromaticContact CD2-CE3 3.97Å; Y65-W105 HydrophobicContact CD2-CE3 3.97Å; Y65-W105 AromaticContact CD2-CH2 3.49Å; Y65-W105 HydrophobicContact CD2-CH2 3.49Å; Y65-W105 VanDerWaalsContact CD2-CH2 3.49Å; Y65-W105 AromaticContact CD2-CZ2 3.23Å; Y65-W105 HydrophobicContact CD2-CZ2 3.23Å; Y65-W105 AromaticContact CD2-CZ3 3.86Å; Y65-W105 HydrophobicContact CD2-CZ3 3.86Å; Y65-W105 AromaticContact CD2-NE1 3.93Å; Y65-W105 AromaticContact CE1-CH2 3.93Å; Y65-W105 HydrophobicContact CE1-CH2 3.93Å; Y65-W105 HydrophobicContact CE1-CZ2 4.02Å; Y65-W105 HydrophobicContact CE2-CD2 4.37Å; Y65-W105 AromaticContact CE2-CE2 3.5Å; Y65-W105 AromaticContact CE2-CH2 3.8Å; Y65-W105 HydrophobicContact CE2-CH2 3.8Å; Y65-W105 AromaticContact CE2-CZ2 3.18Å; Y65-W105 HydrophobicContact CE2-CZ2 3.18Å; Y65-W105 AromaticContact CE2-NE1 3.83Å; Y65-W105 HydrophobicContact CG-CD2 4.32Å; Y65-W105 HydrophobicContact CG-CE3 4.04Å; Y65-W105 AromaticContact CG-CH2 3.37Å; Y65-W105 HydrophobicContact CG-CH2 3.37Å; Y65-W105 AromaticContact CG-CZ2 3.68Å; Y65-W105 HydrophobicContact CG-CZ2 3.68Å; Y65-W105 AromaticContact CG-CZ3 3.59Å; Y65-W105 HydrophobicContact CG-CZ3 3.59Å; Y65-W105 AromaticContact CZ-CH2 3.99Å; Y65-W105 AromaticContact CZ-CZ2 3.58Å
66V95.1Very high81.3Confident35 Ų3577.8 Ų77.821%0.21238%0.379CS..EExtended strand (participates in β ladder)trans-119.9131.4177.5-179.60000108.6P29 H104P29-V66 WeakPolarHBondContact O-CA 3.31Å; V66-H104 HydrophobicContact CB-CB 4.27Å; V66-H104 PolarHBondContact N-O 3.12Å; V66-H104 PolarHBondContact O-N 3.19Å
67R90.5Very high78.9Confident73 Ų7383.4 Ų83.428%0.27541%0.408SS..EExtended strand (participates in β ladder)trans-115.9129.1174.7-71.3179.468.7-174.5-15.6109.8P29 E30 Y65 V101 Q102 E103P29-R67 HydrophobicContact CB-CB 4.07Å; P29-R67 HydrophobicContact CB-CG 3.74Å; P29-R67 PolarHBondContact O-N 3.36Å; E30-R67 WeakPolarHBondContact CA-O 3.35Å; E30-R67 HydrophobicContact CG-CB 3.76Å; E30-R67 IonicContact OE1-CZ 2.8Å; E30-R67 IonicContact OE1-NE 3.69Å; E30-R67 IonicContact OE1-NH2 2.66Å; E30-R67 PolarHBondContact OE1-NH2 3.25Å; Y65-R67 HydrophobicContact CD2-CG 4.3Å; Y65-R67 HydrophobicContact CE1-CG 4.22Å; Y65-R67 HydrophobicContact CE2-CG 3.51Å; Y65-R67 VanDerWaalsContact CZ-CG 3.5Å; Y65-R67 VanDerWaalsContact OH-CD 3.26Å; Y65-R67 WeakPolarHBondContact OH-CD 3.39Å; R67-V101 HydrophobicContact CB-CG1 4.41Å; R67-V101 HydrophobicContact CG-CG1 4.44Å; R67-Q102 CarbonylContact C-O 3.5Å; R67-Q102 WeakPolarHBondContact CA-O 3.29Å; R67-E103 HydrophobicContact CG-CG 4.34Å
68E86.5Confident76.9Confident92 Ų9283.9 Ų83.943%0.4343%0.427SS..EExtended strand (participates in β ladder)trans-112.6117174.2-65.2-177.3177.300109.1Q102 H104E68-Q102 HydrophobicContact CB-CB 4.4Å; E68-Q102 PolarHBondContact N-O 3.03Å; E68-Q102 PolarHBondContact O-N 2.75Å; E68-H104 IonicContact OE1-CE1 2.82Å; E68-H104 IonicContact OE2-CE1 3.9Å
69R80Confident74.4Confident85 Ų8583.3 Ų83.332%0.32144%0.437SS..EExtended strand (participates in β ladder)trans-92.2125.8178.7-167.1-172.9-68.9-165.113.3109.8E30 Y99 D394E30-R69 IonicContact OE1-CZ 2.93Å; E30-R69 IonicContact OE1-NE 2.76Å; E30-R69 PolarHBondContact OE1-NE 2.95Å; E30-R69 IonicContact OE1-NH2 3.21Å; E30-R69 PolarHBondContact OE1-NH2 2.96Å; E30-R69 IonicContact OE2-CZ 3.9Å; E30-R69 IonicContact OE2-NE 3.54Å; E30-R69 PolarHBondContact OE2-NE 2.81Å; E30-R69 IonicContact OE2-NH2 3.34Å; E30-R69 PolarHBondContact OE2-NH2 3.31Å; R69-Y99 VanDerWaalsContact CD-CD1 3.45Å; R69-Y99 VanDerWaalsContact CD-CG 3.47Å; R69-Y99 HydrophobicContact CG-CD1 3.53Å; R69-Y99 HydrophobicContact CG-CD2 4.42Å; R69-Y99 HydrophobicContact CG-CE1 4.4Å; R69-Y99 HydrophobicContact CG-CG 3.57Å; R69-D394 IonicContact CZ-OD1 3.37Å; R69-D394 VanDerWaalsContact CZ-OD1 3.31Å; R69-D394 IonicContact CZ-OD2 3.66Å; R69-D394 IonicContact NH1-OD1 3.67Å; R69-D394 PolarHBondContact NH1-OD1 3.29Å; R69-D394 IonicContact NH1-OD2 3.31Å; R69-D394 PolarHBondContact NH1-OD2 2.74Å; R69-D394 IonicContact NH2-OD1 3.76Å; R69-D394 PolarHBondContact NH2-OD1 3.33Å
70K75.7Confident72.1Confident101 Ų10187.7 Ų87.744%0.43947%0.469SS..EExtended strand (participates in β ladder)trans-116.3123.4172.8-71178-179.1162.60109.1L72 Y99 D100K70-L72 PolarHBondContact O-N 3.03Å; K70-Y99 CarbonylContact O-C 3.41Å; K70-Y99 VanDerWaalsContact O-CA 3.28Å; K70-Y99 WeakPolarHBondContact O-CA 3.39Å; K70-D100 HydrophobicContact CB-CB 4.5Å; K70-D100 PolarHBondContact N-O 3.4Å; K70-D100 PolarHBondContact O-N 2.86Å
71E67.6Low69.9Low144 Ų14491.9 Ų91.967%0.67348%0.482SS*.EExtended strand (participates in β ladder)trans-65.5128.1177-166.4170.1-167.900110.5Y99E71-Y99 VanDerWaalsContact CA-CD1 3.5Å; E71-Y99 HydrophobicContact CB-CD1 3.94Å; E71-Y99 HydrophobicContact CB-CE1 3.84Å; E71-Y99 HydrophobicContact CG-CD1 4.19Å; E71-Y99 HydrophobicContact CG-CE1 3.79Å
72L66.5Low67.2Low78 Ų7899.9 Ų99.941%0.40852%0.518SS..PPolyproline II helixtrans-82.7128.3173.4-69.7171.6000107.9K70 R98 D100K70-L72 PolarHBondContact O-N 3.03Å; L72-R98 PolarHBondContact N-O 2.65Å; L72-D100 HydrophobicContact CD2-CB 3.99Å; L72-D100 HydrophobicContact CG-CB 4.26Å
73V58.1Low64.3Low129 Ų129103.7 Ų103.778%0.78254%0.538SS*.PPolyproline II helixtrans-63.4127.2166.9-176.60000106.8E75V73-E75 PolarHBondContact O-N 3.2Å; V73-E75 VanDerWaalsContact O-N 3.1Å
74P53.3Low61.2Low117 Ų117108.6 Ų108.676%0.7657%0.568SS**PPolyproline II helixtrans-56119.7179.9-21.630.7000110E76P74-E76 PolarHBondContact O-N 2.86Å
75E47Very low58.3Low191 Ų191113.4 Ų113.489%0.89359%0.588SS**PPolyproline II helixtrans-70.8119.5166.6-73.8-175.3163.500108V73V73-E75 PolarHBondContact O-N 3.2Å; V73-E75 VanDerWaalsContact O-N 3.1Å
76E39.9Very low55.4Low185 Ų185118.8 Ų118.886%0.86462%0.617SS**SBendtrans-68.1129.6167.5-65.6-176.8159.700108.5P74P74-E76 PolarHBondContact O-N 2.86Å
77D40.2Very low52.6Low168 Ų168118.3 Ų118.390%0.89862%0.617SS**  trans76.259.5167.7-65.8-25.4000120.7
78G49.8Very low50Low63 Ų63121.4 Ų121.465%0.64964%0.637SS**PPolyproline II helixtrans-97.4146.1157.700000113.3
79P40.4Very low48Very low120 Ų120119.8 Ų119.878%0.77965%0.645SS**PPolyproline II helixtrans-63.1142.5176.425.3-32000111.4R81P79-R81 PolarHBondContact O-N 3.32Å
80P45.7Very low46.2Very low130 Ų130117 Ų11784%0.84464%0.637SS**PPolyproline II helixtrans-61.5127.1-177.623.4-31.7000110.6
81R50.3Low44.6Very low174 Ų174120.4 Ų120.466%0.65766%0.655SS**PPolyproline II helixtrans-64.8140.8172.5-68.9-176.5-179.5170.93.4109.5P79 I83P79-R81 PolarHBondContact O-N 3.32Å; R81-I83 PolarHBondContact O-N 2.88Å; R81-I83 VanDerWaalsContact O-N 3.12Å
82Q37.4Very low43.3Very low178 Ų178114.7 Ų114.783%0.83263%0.634SS**  trans-68.4110177.9-163.2172.217.500109.7
83I35.7Very low42Very low80 Ų80111.5 Ų111.541%0.4162%0.621SS.*  trans-79.3118.3176.7-60.2157.7000107.8R81 K85 F94R81-I83 PolarHBondContact O-N 2.88Å; R81-I83 VanDerWaalsContact O-N 3.12Å; I83-K85 WeakPolarHBondContact CG2-O 3.37Å; I83-F94 HydrophobicContact CD1-CD1 3.73Å; I83-F94 HydrophobicContact CD1-CE1 3.32Å; I83-F94 HydrophobicContact CD1-CE2 4.39Å; I83-F94 HydrophobicContact CD1-CG 4.43Å; I83-F94 HydrophobicContact CD1-CZ 3.7Å; I83-F94 HydrophobicContact CG1-CE1 4.45Å; I83-F94 HydrophobicContact CG2-CE2 4.33Å
84T32.9Very low41.2Very low104 Ų104110.2 Ų110.264%0.63861%0.605SS**  trans-107-11.4176.956.10000112.7G92T84-G92 PolarHBondContact N-O 3.09Å; T84-G92 VanDerWaalsContact OG1-CA 3.3Å; T84-G92 WeakPolarHBondContact OG1-CA 3.38Å; T84-G92 PolarHBondContact OG1-O 3.21Å
85K35.5Very low40.9Very low120 Ų120108.8 Ų108.852%0.52259%0.589SS.*SBendtrans-135.6135.8176.4-66.4-178.5180173.20110.8I83 A87 G92 G93I83-K85 WeakPolarHBondContact CG2-O 3.37Å; K85-A87 PolarHBondContact O-N 2.98Å; K85-G92 PolarHBondContact N-O 3Å; K85-G93 WeakPolarHBondContact O-CA 3.28Å
86L35.5Very low41.1Very low128 Ų128105.3 Ų105.367%0.6757%0.573SS**SBendtrans-83.258.4173.6-71.6169.9000110.9F94L86-F94 HydrophobicContact CD2-CE2 3.85Å; L86-F94 HydrophobicContact CD2-CZ 4.38Å
87A36.2Very low41.7Very low25 Ų25104.1 Ų104.121%0.20757%0.565CS.*  trans-136.9141.3178.900000109.9K85 V90 G93 F94K85-A87 PolarHBondContact O-N 2.98Å; A87-V90 HydrophobicContact CB-CG2 3.3Å; A87-G93 CarbonylContact O-C 3.42Å; A87-G93 WeakPolarHBondContact O-CA 3.28Å; A87-F94 PolarHBondContact O-N 3.19Å
88I36.9Very low42.6Very low138 Ų13899 Ų9971%0.70853%0.533SS*.BIsolated β-bridgetrans-86.2131.5179.6-59.3172.4000107.7F94I88-F94 WeakPolarHBondContact CA-O 3.42Å; I88-F94 HydrophobicContact CG1-CB 4.33Å
89G44.2Very low43.4Very low58 Ų5899.8 Ų99.860%0.59852%0.517SS*.SBendtrans82.76.317300000117.2F94G89-F94 PolarHBondContact N-O 3.15Å
90V41.6Very low45.1Very low25 Ų2597.6 Ų97.615%0.15250%0.499CS..SBendtrans-105.7154.4174.1-730000112.4A87 G92 G93 M95 L149A87-V90 HydrophobicContact CB-CG2 3.3Å; V90-G92 PolarHBondContact O-N 3.31Å; V90-G93 WeakPolarHBondContact O-CA 3.5Å; V90-G93 PolarHBondContact O-N 3.16Å; V90-M95 WeakPolarHBondContact O-CE 3.45Å; V90-L149 HydrophobicContact CG1-CD1 3.75Å
91E42.4Very low46.7Very low174 Ų17493.8 Ų93.881%0.81347%0.472SS*.THydrogen-bonded Turntrans-60.8119.9173.1-157.1171.8-169.800110.7
92G41Very low48.5Very low23 Ų2388.7 Ų88.724%0.23746%0.456CS..THydrogen-bonded Turntrans91.3-4.2-169.700000115.5T84 K85 V90T84-G92 PolarHBondContact N-O 3.09Å; T84-G92 VanDerWaalsContact OG1-CA 3.3Å; T84-G92 WeakPolarHBondContact OG1-CA 3.38Å; T84-G92 PolarHBondContact OG1-O 3.21Å; K85-G92 PolarHBondContact N-O 3Å; V90-G92 PolarHBondContact O-N 3.31Å
93G38Very low51.1Low12 Ų1284.9 Ų84.912%0.12444%0.438CS..SBendtrans-95.5-172.9179.600000115.8K85 A87 V90 M95K85-G93 WeakPolarHBondContact O-CA 3.28Å; A87-G93 CarbonylContact O-C 3.42Å; A87-G93 WeakPolarHBondContact O-CA 3.28Å; V90-G93 WeakPolarHBondContact O-CA 3.5Å; V90-G93 PolarHBondContact O-N 3.16Å; G93-M95 PolarHBondContact O-N 2.87Å; G93-M95 VanDerWaalsContact O-N 3.1Å
94F42.1Very low53.9Low102 Ų10285.1 Ų85.145%0.44744%0.438SS..BIsolated β-bridgetrans-68.6105.2169.3-68.3-88.8000108.9I83 L86 A87 I88 G89I83-F94 HydrophobicContact CD1-CD1 3.73Å; I83-F94 HydrophobicContact CD1-CE1 3.32Å; I83-F94 HydrophobicContact CD1-CE2 4.39Å; I83-F94 HydrophobicContact CD1-CG 4.43Å; I83-F94 HydrophobicContact CD1-CZ 3.7Å; I83-F94 HydrophobicContact CG1-CE1 4.45Å; I83-F94 HydrophobicContact CG2-CE2 4.33Å; L86-F94 HydrophobicContact CD2-CE2 3.85Å; L86-F94 HydrophobicContact CD2-CZ 4.38Å; A87-F94 PolarHBondContact O-N 3.19Å; I88-F94 WeakPolarHBondContact CA-O 3.42Å; I88-F94 HydrophobicContact CG1-CB 4.33Å; G89-F94 PolarHBondContact N-O 3.15Å
95M46.5Very low56.9Low87 Ų8781.7 Ų81.743%0.42941%0.413SS..  trans-120.493.2174.9-70.9-153.8-89.900110.2V90 G93 K97V90-M95 WeakPolarHBondContact O-CE 3.45Å; G93-M95 PolarHBondContact O-N 2.87Å; G93-M95 VanDerWaalsContact O-N 3.1Å; M95-K97 PolarHBondContact O-N 2.8Å
96E50.7Low59.8Low118 Ų11877.4 Ų77.455%0.55140%0.397SS*.  trans-77.6105.9163-72.4178.3-177.600107.5R98 K390E96-R98 VanDerWaalsContact C-N 3.29Å; E96-R98 HydrophobicContact CB-CG 4.09Å; E96-R98 PolarHBondContact O-N 3.36Å; E96-R98 IonicContact OE2-CZ 2.74Å; E96-R98 VanDerWaalsContact OE2-CZ 3.28Å; E96-R98 IonicContact OE2-NE 2.69Å; E96-R98 PolarHBondContact OE2-NE 3.3Å; E96-R98 IonicContact OE2-NH2 3.78Å; E96-R98 PolarHBondContact OE2-NH2 2.91Å; E96-K390 IonicContact OE1-NZ 3.52Å; E96-K390 PolarHBondContact OE1-NZ 2.76Å
97K53.7Low62.6Low160 Ų16071.3 Ų71.370%0.69637%0.365SS*.  trans-72.886.6170.3-82.9-167.3174.8-170.30108.7M95M95-K97 PolarHBondContact O-N 2.8Å
98R59Low65.4Low61 Ų6170.1 Ų70.123%0.2336%0.355CS..  trans-81.2-20.1179.9-65.6-173.9-177.5-171.31.9114L72 E96 D391L72-R98 PolarHBondContact N-O 2.65Å; E96-R98 VanDerWaalsContact C-N 3.29Å; E96-R98 HydrophobicContact CB-CG 4.09Å; E96-R98 PolarHBondContact O-N 3.36Å; E96-R98 IonicContact OE2-CZ 2.74Å; E96-R98 VanDerWaalsContact OE2-CZ 3.28Å; E96-R98 IonicContact OE2-NE 2.69Å; E96-R98 PolarHBondContact OE2-NE 3.3Å; E96-R98 IonicContact OE2-NH2 3.78Å; E96-R98 PolarHBondContact OE2-NH2 2.91Å; R98-D391 IonicContact CZ-OD1 3.37Å; R98-D391 IonicContact NH1-OD1 2.88Å; R98-D391 PolarHBondContact NH1-OD1 3.48Å
99Y65.8Low68.1Low79 Ų7964.5 Ų64.531%0.3133%0.327SS..EExtended strand (participates in β ladder)trans-136.5144.8-174-56-84.7000111.4R69 K70 E71R69-Y99 VanDerWaalsContact CD-CD1 3.45Å; R69-Y99 VanDerWaalsContact CD-CG 3.47Å; R69-Y99 HydrophobicContact CG-CD1 3.53Å; R69-Y99 HydrophobicContact CG-CD2 4.42Å; R69-Y99 HydrophobicContact CG-CE1 4.4Å; R69-Y99 HydrophobicContact CG-CG 3.57Å; K70-Y99 CarbonylContact O-C 3.41Å; K70-Y99 VanDerWaalsContact O-CA 3.28Å; K70-Y99 WeakPolarHBondContact O-CA 3.39Å; E71-Y99 VanDerWaalsContact CA-CD1 3.5Å; E71-Y99 HydrophobicContact CB-CD1 3.94Å; E71-Y99 HydrophobicContact CB-CE1 3.84Å; E71-Y99 HydrophobicContact CG-CD1 4.19Å; E71-Y99 HydrophobicContact CG-CE1 3.79Å
100D76.8Confident70.5Confident74 Ų7464.4 Ų64.440%0.39631%0.309SS..EExtended strand (participates in β ladder)trans-88.6136.6159.3-172.334.5000108.5K70 L72K70-D100 HydrophobicContact CB-CB 4.5Å; K70-D100 PolarHBondContact N-O 3.4Å; K70-D100 PolarHBondContact O-N 2.86Å; L72-D100 HydrophobicContact CD2-CB 3.99Å; L72-D100 HydrophobicContact CG-CB 4.26Å
101V79Confident72.9Confident49 Ų4967 Ų6730%0.29733%0.327SS..EExtended strand (participates in β ladder)trans-121.4115.2-175.7177.90000107.9R67 E103R67-V101 HydrophobicContact CB-CG1 4.41Å; R67-V101 HydrophobicContact CG-CG1 4.44Å; V101-E103 HydrophobicContact CG1-CG 4.38Å
102Q88.2Confident75.2Confident67 Ų6765.2 Ų65.231%0.31332%0.318SS..EExtended strand (participates in β ladder)trans-97.8127.2175.8-61.2-172.9-1600109.4R67 E68R67-Q102 CarbonylContact C-O 3.5Å; R67-Q102 WeakPolarHBondContact CA-O 3.29Å; E68-Q102 HydrophobicContact CB-CB 4.4Å; E68-Q102 PolarHBondContact N-O 3.03Å; E68-Q102 PolarHBondContact O-N 2.75Å
103E91.8Very high77.6Confident98 Ų9865.7 Ų65.746%0.45832%0.315SS..EExtended strand (participates in β ladder)trans-109.5130.4-177.4-58.1-164.7155.900111.3Y65 R67 V101 W105Y65-E103 HydrophobicContact CE2-CB 4.09Å; Y65-E103 HydrophobicContact CE2-CG 4.06Å; Y65-E103 VanDerWaalsContact OH-CD 3.31Å; Y65-E103 PolarHBondContact OH-OE1 2.99Å; R67-E103 HydrophobicContact CG-CG 4.34Å; V101-E103 HydrophobicContact CG1-CG 4.38Å; E103-W105 PolarHBondContact OE2-NE1 3.25Å
104H93.9Very high80.2Confident85 Ų8569.4 Ų69.439%0.39434%0.336SS..EExtended strand (participates in β ladder)trans-121129.3177.5-56.995.6000109.8V66 E68V66-H104 HydrophobicContact CB-CB 4.27Å; V66-H104 PolarHBondContact N-O 3.12Å; V66-H104 PolarHBondContact O-N 3.19Å; E68-H104 IonicContact OE1-CE1 2.82Å; E68-H104 IonicContact OE2-CE1 3.9Å
105W96.2Very high82.6Confident33 Ų3368.5 Ų68.513%0.12534%0.34CS..EExtended strand (participates in β ladder)trans-124.2131.1-176.2-63.989.3000109.7K19 I37 L63 N64 Y65 E103 L118 M135K19-W105 HydrophobicContact CD-CH2 4.36Å; I37-W105 HydrophobicContact CD1-CH2 4.35Å; I37-W105 HydrophobicContact CD1-CZ3 3.83Å; L63-W105 HydrophobicContact CD1-CE3 4.04Å; L63-W105 HydrophobicContact CD2-CE3 3.75Å; L63-W105 HydrophobicContact CD2-CZ3 3.71Å; L63-W105 HydrophobicContact CG-CE3 3.76Å; L63-W105 HydrophobicContact CG-CZ3 4.02Å; N64-W105 WeakPolarHBondContact O-CA 3.37Å; Y65-W105 AromaticContact CD1-CH2 3.62Å; Y65-W105 HydrophobicContact CD1-CH2 3.62Å; Y65-W105 HydrophobicContact CD1-CZ2 4.05Å; Y65-W105 HydrophobicContact CD1-CZ3 4.15Å; Y65-W105 AromaticContact CD2-CD2 3.77Å; Y65-W105 HydrophobicContact CD2-CD2 3.77Å; Y65-W105 AromaticContact CD2-CE2 3.36Å; Y65-W105 AromaticContact CD2-CE3 3.97Å; Y65-W105 HydrophobicContact CD2-CE3 3.97Å; Y65-W105 AromaticContact CD2-CH2 3.49Å; Y65-W105 HydrophobicContact CD2-CH2 3.49Å; Y65-W105 VanDerWaalsContact CD2-CH2 3.49Å; Y65-W105 AromaticContact CD2-CZ2 3.23Å; Y65-W105 HydrophobicContact CD2-CZ2 3.23Å; Y65-W105 AromaticContact CD2-CZ3 3.86Å; Y65-W105 HydrophobicContact CD2-CZ3 3.86Å; Y65-W105 AromaticContact CD2-NE1 3.93Å; Y65-W105 AromaticContact CE1-CH2 3.93Å; Y65-W105 HydrophobicContact CE1-CH2 3.93Å; Y65-W105 HydrophobicContact CE1-CZ2 4.02Å; Y65-W105 HydrophobicContact CE2-CD2 4.37Å; Y65-W105 AromaticContact CE2-CE2 3.5Å; Y65-W105 AromaticContact CE2-CH2 3.8Å; Y65-W105 HydrophobicContact CE2-CH2 3.8Å; Y65-W105 AromaticContact CE2-CZ2 3.18Å; Y65-W105 HydrophobicContact CE2-CZ2 3.18Å; Y65-W105 AromaticContact CE2-NE1 3.83Å; Y65-W105 HydrophobicContact CG-CD2 4.32Å; Y65-W105 HydrophobicContact CG-CE3 4.04Å; Y65-W105 AromaticContact CG-CH2 3.37Å; Y65-W105 HydrophobicContact CG-CH2 3.37Å; Y65-W105 AromaticContact CG-CZ2 3.68Å; Y65-W105 HydrophobicContact CG-CZ2 3.68Å; Y65-W105 AromaticContact CG-CZ3 3.59Å; Y65-W105 HydrophobicContact CG-CZ3 3.59Å; Y65-W105 AromaticContact CZ-CH2 3.99Å; Y65-W105 AromaticContact CZ-CZ2 3.58Å; E103-W105 PolarHBondContact OE2-NE1 3.25Å; W105-L118 HydrophobicContact CB-CD1 4.45Å; W105-L118 HydrophobicContact CB-CD2 3.99Å; W105-L118 WeakPolarHBondContact O-CD1 3.09Å; W105-M135 HydrophobicContact CB-CE 4.28Å; W105-M135 HydrophobicContact CB-SD 4.36Å; W105-M135 HydrophobicContact CD2-CE 4.23Å; W105-M135 HydrophobicContact CD2-CG 3.69Å; W105-M135 HydrophobicContact CD2-SD 4.28Å; W105-M135 HydrophobicContact CE3-CG 3.76Å; W105-M135 HydrophobicContact CG-CE 3.81Å; W105-M135 HydrophobicContact CG-CG 4.21Å; W105-M135 HydrophobicContact CG-SD 4.17Å; W105-M135 HydrophobicContact CH2-CG 4.19Å; W105-M135 HydrophobicContact CZ2-CB 4.42Å; W105-M135 HydrophobicContact CZ2-CG 4.13Å; W105-M135 HydrophobicContact CZ3-CG 4Å
106T95.8Very high84.8Confident29 Ų2966.7 Ų66.718%0.17833%0.332CS..EExtended strand (participates in β ladder)trans-144.4154.3176.254.40000110.6L63 N64 P115 L118L63-T106 CarbonylContact C-O 3.5Å; N64-T106 PolarHBondContact N-O 3.05Å; N64-T106 PolarHBondContact O-N 3.15Å; T106-P115 HydrophobicContact CG2-CB 3.96Å; T106-L118 VanDerWaalsContact CA-CD1 3.44Å
107V95.7Very high86.8Confident0 Ų067.9 Ų67.90%034%0.337CS..EExtended strand (participates in β ladder)trans-95.3138.6169.9173.40000109.1I6 L39 F62 L63 L116 L118 L123I6-V107 HydrophobicContact CD1-CG1 4.44Å; L39-V107 HydrophobicContact CD1-CG1 4.39Å; F62-V107 CarbonylContact O-C 3.47Å; F62-V107 WeakPolarHBondContact O-CA 3.2Å; L63-V107 HydrophobicContact CD1-CG2 4.25Å; V107-L116 HydrophobicContact CB-CB 4.2Å; V107-L116 HydrophobicContact CG1-CD1 4.37Å; V107-L116 PolarHBondContact N-O 3.45Å; V107-L116 WeakPolarHBondContact O-CB 3.45Å; V107-L116 PolarHBondContact O-N 3.4Å; V107-L118 HydrophobicContact CG2-CD1 4.33Å; V107-L123 HydrophobicContact CB-CD1 4.49Å; V107-L123 HydrophobicContact CB-CD2 3.97Å; V107-L123 HydrophobicContact CG1-CD2 4.25Å; V107-L123 HydrophobicContact CG2-CD1 3.72Å; V107-L123 HydrophobicContact CG2-CD2 4.04Å
108A94.3Very high88.6Confident1 Ų162.7 Ų62.71%0.00832%0.317CS..EExtended strand (participates in β ladder)trans-136.7145.5178.900000111F36 F62 L113F36-A108 HydrophobicContact CD1-CB 4.33Å; F36-A108 HydrophobicContact CE1-CB 4.01Å; F62-A108 PolarHBondContact N-O 2.74Å; F62-A108 PolarHBondContact O-N 3.32Å; A108-L113 HydrophobicContact CB-CD2 4.21Å
109V93.9Very high90Very high19 Ų1961.5 Ų61.512%0.11532%0.318CS..EExtended strand (participates in β ladder)trans-119129178.3-177.10000109.4M1 I6 F60 A61 E112 L113M1-V109 HydrophobicContact SD-CG1 4.01Å; I6-V109 HydrophobicContact CD1-CG2 3.96Å; I6-V109 HydrophobicContact CG1-CG2 4.23Å; F60-V109 WeakPolarHBondContact O-CA 3.27Å; A61-V109 HydrophobicContact CB-CG2 4.48Å; V109-E112 PolarHBondContact O-N 3.39Å; V109-L113 WeakPolarHBondContact O-CA 3.37Å; V109-L113 PolarHBondContact O-N 3.39Å
110Y93.9Very high91Very high56 Ų5663.8 Ų63.822%0.2233%0.331CS..THydrogen-bonded Turntrans-79.6140.1177.7-173.9-86.1000110.7L50 V54 F60 L113L50-Y110 HydrophobicContact CB-CD2 4.1Å; L50-Y110 HydrophobicContact CB-CE2 4.22Å; V54-Y110 HydrophobicContact CB-CD1 4.28Å; V54-Y110 HydrophobicContact CB-CE1 4.43Å; V54-Y110 HydrophobicContact CG1-CD1 3.88Å; V54-Y110 HydrophobicContact CG1-CE1 4.11Å; V54-Y110 HydrophobicContact CG2-CD1 3.86Å; V54-Y110 HydrophobicContact CG2-CD2 4.39Å; V54-Y110 HydrophobicContact CG2-CE1 4.38Å; V54-Y110 HydrophobicContact CG2-CG 3.86Å; F60-Y110 HydrophobicContact CD1-CD1 4.41Å; F60-Y110 PolarHBondContact O-N 3.23Å; Y110-L113 HydrophobicContact CD2-CD1 4.35Å; Y110-L113 HydrophobicContact CD2-CD2 4.28Å; Y110-L113 HydrophobicContact CD2-CG 4.37Å
111P92.3Very high91.6Very high81 Ų8165.7 Ų65.753%0.52635%0.35SS..THydrogen-bonded Turncis-90.1-12.810.534.6-36.8000116.2L113P111-L113 VanDerWaalsContact C-N 3.34Å; P111-L113 PolarHBondContact O-N 3.42Å
112E91.4Very high92Very high135 Ų13565.4 Ų65.463%0.63135%0.349SS*.THydrogen-bonded Turntrans-70.5-30.7-170.9-62.975.1-16200113.2V109 T114V109-E112 PolarHBondContact O-N 3.39Å; E112-T114 PolarHBondContact O-N 2.87Å
113L91.6Very high92Very high34 Ų3462.4 Ų62.418%0.17834%0.335CS..  trans49.129.6-179.9-60.1174.5000114F36 Q47 L50 A108 V109 Y110 P111F36-L113 HydrophobicContact CD1-CD2 4.42Å; F36-L113 HydrophobicContact CE1-CD2 4.12Å; Q47-L113 HydrophobicContact CG-CD1 4.31Å; L50-L113 HydrophobicContact CD1-CD1 3.63Å; L50-L113 HydrophobicContact CD1-CD2 3.85Å; L50-L113 HydrophobicContact CD1-CG 4.41Å; A108-L113 HydrophobicContact CB-CD2 4.21Å; V109-L113 WeakPolarHBondContact O-CA 3.37Å; V109-L113 PolarHBondContact O-N 3.39Å; Y110-L113 HydrophobicContact CD2-CD1 4.35Å; Y110-L113 HydrophobicContact CD2-CD2 4.28Å; Y110-L113 HydrophobicContact CD2-CG 4.37Å; P111-L113 VanDerWaalsContact C-N 3.34Å; P111-L113 PolarHBondContact O-N 3.42Å
114T91.6Very high91.8Very high90 Ų9058.6 Ų58.655%0.55232%0.322SS*.PPolyproline II helixtrans-69125.3176.3-56.20000109.2E112 L116E112-T114 PolarHBondContact O-N 2.87Å; T114-L116 PolarHBondContact O-N 3.15Å
115P92.6Very high91.7Very high82 Ų8259 Ų5953%0.53233%0.332SS..PPolyproline II helixtrans-70.3126.2-17726.9-33.2000111.1T106T106-P115 HydrophobicContact CG2-CB 3.96Å
116L92.9Very high91.4Very high49 Ų4959 Ų5926%0.25734%0.343SS..BIsolated β-bridgetrans-101.8129.5173.4-56.8176.5000109.1I6 V107 T114 T122 L123I6-L116 HydrophobicContact CD1-CD1 4.43Å; V107-L116 HydrophobicContact CB-CB 4.2Å; V107-L116 HydrophobicContact CG1-CD1 4.37Å; V107-L116 PolarHBondContact N-O 3.45Å; V107-L116 WeakPolarHBondContact O-CB 3.45Å; V107-L116 PolarHBondContact O-N 3.4Å; T114-L116 PolarHBondContact O-N 3.15Å; L116-T122 HydrophobicContact CB-CG2 4.09Å; L116-T122 HydrophobicContact CD2-CG2 4.46Å; L116-L123 HydrophobicContact CB-CD2 4.17Å; L116-L123 HydrophobicContact CD1-CD2 4.36Å
117H91.9Very high91.3Very high144 Ų14457.9 Ų57.967%0.66734%0.336SS*.PPolyproline II helixtrans-67.8143.6178.3-70.3-70000111.7S119H117-S119 PolarHBondContact O-N 2.78Å
118L91.6Very high91.2Very high50 Ų5058.7 Ų58.726%0.26234%0.34SS..SBendtrans-76.174.2175.6-8165.5000110.5L63 W105 T106 V107 L123 L128 C131 M135L63-L118 HydrophobicContact CD1-CD1 4.48Å; L63-L118 HydrophobicContact CD1-CD2 4.42Å; W105-L118 HydrophobicContact CB-CD1 4.45Å; W105-L118 HydrophobicContact CB-CD2 3.99Å; W105-L118 WeakPolarHBondContact O-CD1 3.09Å; T106-L118 VanDerWaalsContact CA-CD1 3.44Å; V107-L118 HydrophobicContact CG2-CD1 4.33Å; L118-L123 HydrophobicContact CB-CD1 4.49Å; L118-L123 HydrophobicContact CG-CD1 4.19Å; L118-L128 HydrophobicContact CB-CD1 4.2Å; L118-C131 HydrophobicContact CD2-CB 4.3Å; L118-M135 HydrophobicContact CD2-CE 4.41Å; L118-M135 HydrophobicContact CD2-SD 3.52Å; L118-M135 VanDerWaalsContact CD2-SD 3.52Å
119S89.9Confident91.2Very high37 Ų3764.7 Ų64.726%0.25936%0.363SS..  trans-124.6149.6170.274.60000110.7H117 S121 T122 L123H117-S119 PolarHBondContact O-N 2.78Å; S119-S121 PolarHBondContact O-N 3Å; S119-S121 PolarHBondContact OG-OG 3.29Å; S119-T122 PolarHBondContact O-N 3.38Å; S119-T122 WeakPolarHBondContact OG-CB 3.39Å; S119-T122 PolarHBondContact OG-N 3Å; S119-T122 PolarHBondContact OG-OG1 3.42Å; S119-L123 PolarHBondContact O-N 3.15Å
120E86.7Confident91.2Very high126 Ų12663.8 Ų63.859%0.58936%0.358SS*.Hα-helixtrans-60.9-34177.3-170.4171.4176.700111.4T122 G124 L128E120-T122 VanDerWaalsContact C-N 3.28Å; E120-T122 PolarHBondContact O-N 2.94Å; E120-G124 WeakPolarHBondContact O-CA 3.41Å; E120-G124 PolarHBondContact O-N 3.18Å; E120-L128 HydrophobicContact CB-CD2 3.87Å
121S87.8Confident91.2Very high114 Ų11461.1 Ų61.180%0.79735%0.347SS*.Hα-helixtrans-64.6-27.4174.358.20000114.3S119S119-S121 PolarHBondContact O-N 3Å; S119-S121 PolarHBondContact OG-OG 3.29Å
122T87.6Confident91.3Very high44 Ų4462.2 Ų62.227%0.2734%0.344SS..Hα-helixtrans-95.7-36.1-176.4-53.70000111.8P3 L116 S119 E120P3-T122 WeakPolarHBondContact CB-O 3.39Å; P3-T122 WeakPolarHBondContact CG-O 3.47Å; L116-T122 HydrophobicContact CB-CG2 4.09Å; L116-T122 HydrophobicContact CD2-CG2 4.46Å; S119-T122 PolarHBondContact O-N 3.38Å; S119-T122 WeakPolarHBondContact OG-CB 3.39Å; S119-T122 PolarHBondContact OG-N 3Å; S119-T122 PolarHBondContact OG-OG1 3.42Å; E120-T122 VanDerWaalsContact C-N 3.28Å; E120-T122 PolarHBondContact O-N 2.94Å
123L88.3Confident91.3Very high4 Ų459.4 Ų59.42%0.02133%0.329CS..Hα-helixtrans-110.3-17.2-170.6-59.4-178.6000113.9V107 L116 L118 S119 L127 L128V107-L123 HydrophobicContact CB-CD1 4.49Å; V107-L123 HydrophobicContact CB-CD2 3.97Å; V107-L123 HydrophobicContact CG1-CD2 4.25Å; V107-L123 HydrophobicContact CG2-CD1 3.72Å; V107-L123 HydrophobicContact CG2-CD2 4.04Å; L116-L123 HydrophobicContact CB-CD2 4.17Å; L116-L123 HydrophobicContact CD1-CD2 4.36Å; L118-L123 HydrophobicContact CB-CD1 4.49Å; L118-L123 HydrophobicContact CG-CD1 4.19Å; S119-L123 PolarHBondContact O-N 3.15Å; L123-L127 HydrophobicContact CB-CB 4.27Å; L123-L127 HydrophobicContact CB-CD2 4.01Å; L123-L127 HydrophobicContact CB-CG 4.11Å; L123-L127 HydrophobicContact CD2-CD2 3.92Å; L123-L127 HydrophobicContact CG-CD2 4.41Å; L123-L127 WeakPolarHBondContact O-CB 3.38Å; L123-L128 HydrophobicContact CD1-CD1 4.47Å
124G89Confident91.4Very high18 Ų1857.8 Ų57.819%0.18632%0.321CS..Hα-helixtrans74.1166.6-165.900000113E120 L128E120-G124 WeakPolarHBondContact O-CA 3.41Å; E120-G124 PolarHBondContact O-N 3.18Å; G124-L128 VanDerWaalsContact O-CB 3.27Å; G124-L128 WeakPolarHBondContact O-CB 3.23Å; G124-L128 PolarHBondContact O-N 3.03Å
125P90.2Very high91.4Very high92 Ų9256.4 Ų56.460%0.59731%0.309SS*.Hα-helixtrans-69.4-39.2-170.325.2-34000113.2Y129P125-Y129 VanDerWaalsContact O-CB 3.3Å; P125-Y129 WeakPolarHBondContact O-CB 3.33Å; P125-Y129 PolarHBondContact O-N 3.28Å
126G91.3Very high91.2Very high35 Ų3558.9 Ų58.936%0.36131%0.314SS..Hα-helixtrans-68.1-47.6-176.200000113.2F8 Y129 C130F8-G126 WeakPolarHBondContact CE2-O 3.49Å; F8-G126 VanDerWaalsContact CZ-C 3.43Å; G126-Y129 WeakPolarHBondContact O-CB 3.44Å; G126-Y129 PolarHBondContact O-N 3.13Å; G126-C130 PolarHBondContact O-N 3.21Å
127L93Very high90.7Very high4 Ų458 Ų582%0.02131%0.313CS..Hα-helixtrans-67.7-42.2178.2177.156.7000111.1I6 F8 L39 L123 Y129 C130 C131I6-L127 HydrophobicContact CB-CD2 4.11Å; I6-L127 HydrophobicContact CD1-CD2 3.85Å; I6-L127 HydrophobicContact CG2-CD1 4.31Å; I6-L127 HydrophobicContact CG2-CD2 3.93Å; F8-L127 HydrophobicContact CB-CD1 4.08Å; F8-L127 HydrophobicContact CD1-CB 4.08Å; F8-L127 HydrophobicContact CD1-CD1 3.89Å; F8-L127 HydrophobicContact CE1-CB 3.93Å; F8-L127 HydrophobicContact CG-CD1 4Å; F8-L127 HydrophobicContact CZ-CB 4.42Å; L39-L127 HydrophobicContact CD1-CD1 3.73Å; L39-L127 HydrophobicContact CD2-CD1 4.44Å; L123-L127 HydrophobicContact CB-CB 4.27Å; L123-L127 HydrophobicContact CB-CD2 4.01Å; L123-L127 HydrophobicContact CB-CG 4.11Å; L123-L127 HydrophobicContact CD2-CD2 3.92Å; L123-L127 HydrophobicContact CG-CD2 4.41Å; L123-L127 WeakPolarHBondContact O-CB 3.38Å; L127-Y129 VanDerWaalsContact C-N 3.29Å; L127-Y129 PolarHBondContact O-N 3.01Å; L127-C130 WeakPolarHBondContact O-CB 3.48Å; L127-C130 PolarHBondContact O-N 2.85Å; L127-C130 VanDerWaalsContact O-N 3.17Å; L127-C131 PolarHBondContact O-N 3.41Å; L127-C131 PolarHBondContact O-SG 3.32Å
128L93.5Very high90.1Very high17 Ų1757 Ų579%0.08931%0.308CS..Hα-helixtrans-59.2-41.1174.9-17864.4000111.8L118 E120 L123 G124 C131 K132L118-L128 HydrophobicContact CB-CD1 4.2Å; E120-L128 HydrophobicContact CB-CD2 3.87Å; L123-L128 HydrophobicContact CD1-CD1 4.47Å; G124-L128 VanDerWaalsContact O-CB 3.27Å; G124-L128 WeakPolarHBondContact O-CB 3.23Å; G124-L128 PolarHBondContact O-N 3.03Å; L128-C131 PolarHBondContact O-N 3.08Å; L128-K132 HydrophobicContact CG-CD 4.49Å; L128-K132 WeakPolarHBondContact O-CG 3.39Å; L128-K132 PolarHBondContact O-N 3.43Å
129Y93.4Very high89.6Confident128 Ų12854.7 Ų54.750%0.50230%0.297SS..Hα-helixtrans-61.6-45.2175179.9-100.5000112V10 P125 G126 L127 C131 K132 K133V10-Y129 HydrophobicContact CG1-CD1 4.24Å; V10-Y129 HydrophobicContact CG1-CE1 3.86Å; V10-Y129 HydrophobicContact CG2-CD1 4.14Å; V10-Y129 HydrophobicContact CG2-CE1 4.44Å; P125-Y129 VanDerWaalsContact O-CB 3.3Å; P125-Y129 WeakPolarHBondContact O-CB 3.33Å; P125-Y129 PolarHBondContact O-N 3.28Å; G126-Y129 WeakPolarHBondContact O-CB 3.44Å; G126-Y129 PolarHBondContact O-N 3.13Å; L127-Y129 VanDerWaalsContact C-N 3.29Å; L127-Y129 PolarHBondContact O-N 3.01Å; Y129-C131 PolarHBondContact O-N 2.88Å; Y129-K132 PolarHBondContact O-N 2.92Å; Y129-K133 HydrophobicContact CE1-CG 4.12Å; Y129-K133 WeakPolarHBondContact O-CG 3.45Å; Y129-K133 PolarHBondContact O-N 2.87Å; Y129-K133 VanDerWaalsContact O-N 3.08Å; Y129-K133 WeakPolarHBondContact OH-CE 3.23Å
130C93.9Very high89.1Confident0 Ų053.7 Ų53.70%029%0.291CS..Hα-helixtrans-58-47.4174.5-175.40000112F8 V9 V10 G126 L127 K132 K133 L134F8-C130 HydrophobicContact CD2-CB 3.66Å; F8-C130 HydrophobicContact CE2-CB 4.13Å; F8-C130 HydrophobicContact CG-CB 4.39Å; V9-C130 PolarHBondContact O-SG 3.49Å; V10-C130 HydrophobicContact CG2-CB 4.1Å; G126-C130 PolarHBondContact O-N 3.21Å; L127-C130 WeakPolarHBondContact O-CB 3.48Å; L127-C130 PolarHBondContact O-N 2.85Å; L127-C130 VanDerWaalsContact O-N 3.17Å; C130-K132 PolarHBondContact O-N 3.24Å; C130-K133 PolarHBondContact O-N 3.11Å; C130-L134 WeakPolarHBondContact O-CG 3.36Å; C130-L134 PolarHBondContact O-N 3.37Å; C130-L134 VanDerWaalsContact O-N 3.08Å
131C95Very high88.6Confident0 Ų048.6 Ų48.60%027%0.266CS..Hα-helixtrans-60.1-46.7179-66.90000111.8L63 L118 L127 L128 Y129 K133 L134 M135L63-C131 HydrophobicContact CD1-CB 4.27Å; L63-C131 HydrophobicContact CD2-CB 4.47Å; L118-C131 HydrophobicContact CD2-CB 4.3Å; L127-C131 PolarHBondContact O-N 3.41Å; L127-C131 PolarHBondContact O-SG 3.32Å; L128-C131 PolarHBondContact O-N 3.08Å; Y129-C131 PolarHBondContact O-N 2.88Å; C131-K133 VanDerWaalsContact C-N 3.3Å; C131-K133 PolarHBondContact O-N 2.9Å; C131-L134 PolarHBondContact O-N 3.36Å; C131-M135 VanDerWaalsContact O-CG 3.24Å; C131-M135 WeakPolarHBondContact O-CG 3.47Å; C131-M135 PolarHBondContact O-N 3.39Å
132K93.7Very high87.6Confident104 Ų10450.2 Ų50.245%0.45226%0.255SS..Hα-helixtrans-58.1-42.1176.9-73.3177.7177.9-179.80112L128 Y129 C130 L134 M135 E136L128-K132 HydrophobicContact CG-CD 4.49Å; L128-K132 WeakPolarHBondContact O-CG 3.39Å; L128-K132 PolarHBondContact O-N 3.43Å; Y129-K132 PolarHBondContact O-N 2.92Å; C130-K132 PolarHBondContact O-N 3.24Å; K132-L134 PolarHBondContact O-N 3.4Å; K132-M135 PolarHBondContact O-N 2.97Å; K132-E136 WeakPolarHBondContact O-CB 3.14Å; K132-E136 WeakPolarHBondContact O-CG 3.42Å; K132-E136 PolarHBondContact O-N 3.38Å
133K91.8Very high86.7Confident75 Ų7550.8 Ų50.833%0.32626%0.258SS..Hα-helixtrans-63.1-40.1176.5-72.8-65.2175.7-1590113.4V10 P11 Y129 C130 C131 E136 A137V10-K133 HydrophobicContact CG1-CG 4.42Å; P11-K133 HydrophobicContact CG-CB 3.86Å; Y129-K133 HydrophobicContact CE1-CG 4.12Å; Y129-K133 WeakPolarHBondContact O-CG 3.45Å; Y129-K133 PolarHBondContact O-N 2.87Å; Y129-K133 VanDerWaalsContact O-N 3.08Å; Y129-K133 WeakPolarHBondContact OH-CE 3.23Å; C130-K133 PolarHBondContact O-N 3.11Å; C131-K133 VanDerWaalsContact C-N 3.3Å; C131-K133 PolarHBondContact O-N 2.9Å; K133-E136 IonicContact NZ-OE2 3.64Å; K133-A137 VanDerWaalsContact O-CB 3.31Å; K133-A137 WeakPolarHBondContact O-CB 3.49Å; K133-A137 PolarHBondContact O-N 3.48Å
134L92.8Very high85.5Confident0 Ų052.5 Ų52.50%027%0.267CS..Hα-helixtrans-67.5-36.4175.4-68.7169.7000112.5P11 I17 K19 L39 H42 L63 C130 C131 K132P11-L134 HydrophobicContact CB-CD2 4.22Å; P11-L134 HydrophobicContact CG-CD2 3.85Å; P11-L134 HydrophobicContact CG-CG 4.21Å; I17-L134 HydrophobicContact CD1-CD2 4.08Å; I17-L134 HydrophobicContact CG1-CD2 4.2Å; I17-L134 HydrophobicContact CG2-CD2 4.21Å; K19-L134 PolarHBondContact NZ-O 2.61Å; L39-L134 HydrophobicContact CD2-CD1 3.91Å; H42-L134 HydrophobicContact CB-CD2 4.09Å; L63-L134 HydrophobicContact CD2-CB 3.85Å; L63-L134 HydrophobicContact CD2-CD1 4.19Å; C130-L134 WeakPolarHBondContact O-CG 3.36Å; C130-L134 PolarHBondContact O-N 3.37Å; C130-L134 VanDerWaalsContact O-N 3.08Å; C131-L134 PolarHBondContact O-N 3.36Å; K132-L134 PolarHBondContact O-N 3.4Å
135M92.7Very high84Confident62 Ų6256.5 Ų56.531%0.30528%0.281SS..Hα-helixtrans-65.3-46.9175.8-67.2166.564.400111.4K19 L63 W105 L118 C131 K132K19-M135 PolarHBondContact NZ-O 2.91Å; L63-M135 HydrophobicContact CD2-CG 4.31Å; W105-M135 HydrophobicContact CB-CE 4.28Å; W105-M135 HydrophobicContact CB-SD 4.36Å; W105-M135 HydrophobicContact CD2-CE 4.23Å; W105-M135 HydrophobicContact CD2-CG 3.69Å; W105-M135 HydrophobicContact CD2-SD 4.28Å; W105-M135 HydrophobicContact CE3-CG 3.76Å; W105-M135 HydrophobicContact CG-CE 3.81Å; W105-M135 HydrophobicContact CG-CG 4.21Å; W105-M135 HydrophobicContact CG-SD 4.17Å; W105-M135 HydrophobicContact CH2-CG 4.19Å; W105-M135 HydrophobicContact CZ2-CB 4.42Å; W105-M135 HydrophobicContact CZ2-CG 4.13Å; W105-M135 HydrophobicContact CZ3-CG 4Å; L118-M135 HydrophobicContact CD2-CE 4.41Å; L118-M135 HydrophobicContact CD2-SD 3.52Å; L118-M135 VanDerWaalsContact CD2-SD 3.52Å; C131-M135 VanDerWaalsContact O-CG 3.24Å; C131-M135 WeakPolarHBondContact O-CG 3.47Å; C131-M135 PolarHBondContact O-N 3.39Å; K132-M135 PolarHBondContact O-N 2.97Å
136E87.4Confident82.5Confident134 Ų13455.9 Ų55.963%0.62628%0.275SS*.Hα-helixtrans-72-31.7-177.6-72.2169-173.600113.9K132 K133K132-E136 WeakPolarHBondContact O-CB 3.14Å; K132-E136 WeakPolarHBondContact O-CG 3.42Å; K132-E136 PolarHBondContact O-N 3.38Å; K133-E136 IonicContact NZ-OE2 3.64Å
137A83.4Confident80.8Confident29 Ų2959.2 Ų59.224%0.2428%0.282CS..SBendtrans-66.6143.5-172.600000113I17 K19 K133I17-A137 HydrophobicContact CD1-CB 3.2Å; K19-A137 WeakPolarHBondContact CE-O 3.49Å; K19-A137 PolarHBondContact NZ-O 3.21Å; K133-A137 VanDerWaalsContact O-CB 3.31Å; K133-A137 WeakPolarHBondContact O-CB 3.49Å; K133-A137 PolarHBondContact O-N 3.48Å
138E79.3Confident78.7Confident123 Ų12359.5 Ų59.558%0.57528%0.284SS*.PPolyproline II helixtrans-67.3141169-66.1-171.4162.200110V143E138-V143 HydrophobicContact CB-CG2 4.09Å
139S81.5Confident76.7Confident3 Ų361.6 Ų61.62%0.02130%0.295CS..PPolyproline II helixtrans-72.8150.9176.162.20000111.3I17 D20 Y141 R142 V143I17-S139 CarbonylContact O-C 3.59Å; I17-S139 WeakPolarHBondContact O-CA 3.4Å; D20-S139 VanDerWaalsContact CG-CB 3.5Å; D20-S139 WeakPolarHBondContact OD1-CB 3.41Å; D20-S139 PolarHBondContact OD1-OG 3.42Å; D20-S139 WeakPolarHBondContact OD2-CB 3.46Å; D20-S139 PolarHBondContact OD2-OG 3.28Å; S139-Y141 PolarHBondContact O-N 3.04Å; S139-R142 PolarHBondContact O-N 3.47Å; S139-R142 VanDerWaalsContact O-N 3.1Å; S139-R142 WeakPolarHBondContact OG-CB 3.27Å; S139-R142 PolarHBondContact OG-N 3.41Å; S139-V143 WeakPolarHBondContact O-CG2 3.48Å; S139-V143 PolarHBondContact O-N 2.99Å; S139-V143 VanDerWaalsContact O-N 3.09Å
140A79.7Confident74.3Confident16 Ų1659.8 Ų59.813%0.13231%0.307CS..Hα-helixtrans-54-39175.900000111.4I17 F18 L144I17-A140 PolarHBondContact O-N 3.13Å; F18-A140 HydrophobicContact CD1-CB 3.82Å; F18-A140 HydrophobicContact CE1-CB 3.62Å; F18-A140 HydrophobicContact CG-CB 4.48Å; F18-A140 HydrophobicContact CZ-CB 4.09Å; A140-L144 WeakPolarHBondContact O-CD1 3.28Å; A140-L144 WeakPolarHBondContact O-CG 3.14Å; A140-L144 PolarHBondContact O-N 3.42Å
141Y75.1Confident71.9Confident18 Ų1861.1 Ų61.17%0.07132%0.321CS..Hα-helixtrans-67.6-41.1178-50.8-43.4000113F18 D20 E21 S139 V143 L144 E145 A400 S401 L404F18-Y141 HydrophobicContact CD1-CD1 4.46Å; F18-Y141 AromaticContact CD1-CE1 3.64Å; F18-Y141 HydrophobicContact CD1-CE1 3.64Å; F18-Y141 HydrophobicContact CD1-CE2 4.34Å; F18-Y141 AromaticContact CD1-CZ 3.57Å; F18-Y141 WeakPolarHBondContact CD1-OH 3.45Å; F18-Y141 AromaticContact CE1-CE1 4Å; F18-Y141 HydrophobicContact CE1-CE1 4Å; D20-Y141 HydrophobicContact CB-CD2 3.76Å; D20-Y141 HydrophobicContact CB-CE2 4.24Å; D20-Y141 WeakPolarHBondContact OD2-CD2 3.49Å; E21-Y141 HydrophobicContact CG-CD2 4.21Å; E21-Y141 HydrophobicContact CG-CE2 3.38Å; S139-Y141 PolarHBondContact O-N 3.04Å; Y141-V143 PolarHBondContact O-N 3.26Å; Y141-L144 WeakPolarHBondContact O-CB 3.33Å; Y141-L144 PolarHBondContact O-N 3.08Å; Y141-E145 PolarHBondContact O-N 2.8Å; Y141-A400 HydrophobicContact CD1-CB 3.81Å; Y141-A400 HydrophobicContact CE1-CB 4.42Å; Y141-A400 HydrophobicContact CG-CB 4.2Å; Y141-S401 WeakPolarHBondContact CE1-OG 3.24Å; Y141-S401 PolarHBondContact OH-OG 3.18Å; Y141-L404 HydrophobicContact CD1-CD1 4.21Å; Y141-L404 HydrophobicContact CE1-CD1 4.34Å
142R68.2Low69.6Low148 Ų14862.7 Ų62.756%0.55833%0.33SS*.Hα-helixtrans-65.7-39.3178.5-173.3170.1-179.7160.3-0.9112.1S139 L144 E145 V146S139-R142 PolarHBondContact O-N 3.47Å; S139-R142 VanDerWaalsContact O-N 3.1Å; S139-R142 WeakPolarHBondContact OG-CB 3.27Å; S139-R142 PolarHBondContact OG-N 3.41Å; R142-L144 PolarHBondContact O-N 3.39Å; R142-E145 PolarHBondContact O-N 2.8Å; R142-V146 VanDerWaalsContact O-CG2 3.31Å; R142-V146 WeakPolarHBondContact O-CG2 3.36Å; R142-V146 PolarHBondContact O-N 3.12Å
143V67.1Low67.1Low56 Ų5669 Ų6934%0.33935%0.351SS..Hα-helixtrans-56.6-40.7174.2172.70000110.7E138 S139 Y141 Q147E138-V143 HydrophobicContact CB-CG2 4.09Å; S139-V143 WeakPolarHBondContact O-CG2 3.48Å; S139-V143 PolarHBondContact O-N 2.99Å; S139-V143 VanDerWaalsContact O-N 3.09Å; Y141-V143 PolarHBondContact O-N 3.26Å; V143-Q147 VanDerWaalsContact O-CG 3.26Å; V143-Q147 WeakPolarHBondContact O-CG 3.24Å; V143-Q147 PolarHBondContact O-N 3.36Å; V143-Q147 VanDerWaalsContact O-N 3.09Å
144L62.7Low64.4Low41 Ų4169.8 Ų69.822%0.21536%0.359CS..Hα-helixtrans-76-37.7179.6-66.4150.1000113.7A140 Y141 R142 V146 Q147 S148 L404A140-L144 WeakPolarHBondContact O-CD1 3.28Å; A140-L144 WeakPolarHBondContact O-CG 3.14Å; A140-L144 PolarHBondContact O-N 3.42Å; Y141-L144 WeakPolarHBondContact O-CB 3.33Å; Y141-L144 PolarHBondContact O-N 3.08Å; R142-L144 PolarHBondContact O-N 3.39Å; L144-V146 VanDerWaalsContact C-N 3.28Å; L144-V146 PolarHBondContact O-N 3.49Å; L144-Q147 CarbonylContact O-C 3.47Å; L144-Q147 PolarHBondContact O-N 3.02Å; L144-S148 VanDerWaalsContact O-CB 3.25Å; L144-S148 WeakPolarHBondContact O-CB 3.45Å; L144-S148 PolarHBondContact O-N 3.38Å; L144-S148 PolarHBondContact O-OG 3.32Å; L144-L404 HydrophobicContact CD1-CD1 3.09Å; L144-L404 HydrophobicContact CD1-CD2 3.17Å; L144-L404 HydrophobicContact CD1-CG 3.11Å; L144-L404 HydrophobicContact CD2-CD2 3.23Å; L144-L404 HydrophobicContact CD2-CG 4.12Å; L144-L404 HydrophobicContact CG-CD1 4.43Å; L144-L404 HydrophobicContact CG-CD2 3.72Å; L144-L404 HydrophobicContact CG-CG 4.17Å
145E58.9Low61.8Low102 Ų10272.5 Ų72.548%0.47739%0.387SS..Hα-helixtrans-59.3-45.7174.8-177175-154.700109.7Y141 R142 Q147 S148 L149Y141-E145 PolarHBondContact O-N 2.8Å; R142-E145 PolarHBondContact O-N 2.8Å; E145-Q147 PolarHBondContact O-N 3.09Å; E145-S148 PolarHBondContact O-N 3.35Å; E145-S148 VanDerWaalsContact O-N 3.14Å; E145-L149 HydrophobicContact CG-CD1 4.01Å; E145-L149 WeakPolarHBondContact O-CB 3.25Å; E145-L149 VanDerWaalsContact O-CG 3.28Å; E145-L149 WeakPolarHBondContact O-CG 3.49Å; E145-L149 PolarHBondContact O-N 3.48Å
146V57.6Low59.8Low78 Ų7874.2 Ų74.247%0.47340%0.401SS..Hα-helixtrans-60.5-43.3174.8173.10000111.6R142 L144 S148 A150R142-V146 VanDerWaalsContact O-CG2 3.31Å; R142-V146 WeakPolarHBondContact O-CG2 3.36Å; R142-V146 PolarHBondContact O-N 3.12Å; L144-V146 VanDerWaalsContact C-N 3.28Å; L144-V146 PolarHBondContact O-N 3.49Å; V146-S148 VanDerWaalsContact C-N 3.34Å; V146-A150 PolarHBondContact O-N 3Å
147Q55.4Low58.1Low105 Ų10576.6 Ų76.649%0.49141%0.414SS..Hα-helixtrans-65-37174.9-72170.7-2.100112.3V143 L144 E145 A150 N416V143-Q147 VanDerWaalsContact O-CG 3.26Å; V143-Q147 WeakPolarHBondContact O-CG 3.24Å; V143-Q147 PolarHBondContact O-N 3.36Å; V143-Q147 VanDerWaalsContact O-N 3.09Å; L144-Q147 CarbonylContact O-C 3.47Å; L144-Q147 PolarHBondContact O-N 3.02Å; E145-Q147 PolarHBondContact O-N 3.09Å; Q147-A150 PolarHBondContact O-N 3.08Å; Q147-N416 VanDerWaalsContact C-ND2 3.26Å; Q147-N416 PolarHBondContact O-ND2 3.41Å
148S50Low57.3Low10 Ų1077.9 Ų77.97%0.0742%0.417CS..Hα-helixtrans-67.7-41.3-179.9-58.70000112.2L144 E145 V146 A150 T152 N416L144-S148 VanDerWaalsContact O-CB 3.25Å; L144-S148 WeakPolarHBondContact O-CB 3.45Å; L144-S148 PolarHBondContact O-N 3.38Å; L144-S148 PolarHBondContact O-OG 3.32Å; E145-S148 PolarHBondContact O-N 3.35Å; E145-S148 VanDerWaalsContact O-N 3.14Å; V146-S148 VanDerWaalsContact C-N 3.34Å; S148-A150 VanDerWaalsContact C-N 3.31Å; S148-A150 PolarHBondContact O-N 3.49Å; S148-T152 PolarHBondContact O-OG1 3.06Å; S148-N416 VanDerWaalsContact CA-CG 3.43Å; S148-N416 VanDerWaalsContact CA-ND2 3.32Å; S148-N416 WeakPolarHBondContact CA-ND2 3.45Å; S148-N416 PolarHBondContact N-ND2 2.95Å; S148-N416 PolarHBondContact OG-OD1 3.49Å
149L50.4Low57.1Low61 Ų6178.5 Ų78.532%0.31942%0.418SS..Hα-helixtrans-71-25.7177.6-69.8168.9000113V90 E145 G151 T152V90-L149 HydrophobicContact CG1-CD1 3.75Å; E145-L149 HydrophobicContact CG-CD1 4.01Å; E145-L149 WeakPolarHBondContact O-CB 3.25Å; E145-L149 VanDerWaalsContact O-CG 3.28Å; E145-L149 WeakPolarHBondContact O-CG 3.49Å; E145-L149 PolarHBondContact O-N 3.48Å; L149-G151 VanDerWaalsContact C-N 3.31Å; L149-G151 PolarHBondContact O-N 2.97Å; L149-T152 VanDerWaalsContact CA-OG1 3.29Å; L149-T152 WeakPolarHBondContact CA-OG1 3.23Å; L149-T152 PolarHBondContact O-OG1 2.87Å
150A42.9Very low57.4Low91 Ų9182.4 Ų82.475%0.75244%0.439SS*.Hα-helixtrans-71.1-24.1179.500000113.5V146 Q147 S148V146-A150 PolarHBondContact O-N 3Å; Q147-A150 PolarHBondContact O-N 3.08Å; S148-A150 VanDerWaalsContact C-N 3.31Å; S148-A150 PolarHBondContact O-N 3.49Å
151G43.9Very low57.9Low28 Ų2881.9 Ų81.929%0.28943%0.433SS..THydrogen-bonded Turntrans-105.14.3-17600000115.6L149 W153L149-G151 VanDerWaalsContact C-N 3.31Å; L149-G151 PolarHBondContact O-N 2.97Å; G151-W153 VanDerWaalsContact C-N 3.32Å; G151-W153 PolarHBondContact O-N 3.18Å
152T46.3Very low58.6Low33 Ų3385.6 Ų85.620%0.20245%0.454CS..SBendtrans-82-2.5-164.6-16.90000114.8S148 L149S148-T152 PolarHBondContact O-OG1 3.06Å; L149-T152 VanDerWaalsContact CA-OG1 3.29Å; L149-T152 WeakPolarHBondContact CA-OG1 3.23Å; L149-T152 PolarHBondContact O-OG1 2.87Å
153W41.8Very low59.6Low236 Ų23680.5 Ų80.589%0.89444%0.436SS*.  trans-136.772.8-176.3-68.688.9000112.4G151G151-W153 VanDerWaalsContact C-N 3.32Å; G151-W153 PolarHBondContact O-N 3.18Å
154D35.8Very low60.3Low91 Ų9181.7 Ų81.749%0.48744%0.444SS..  trans-120.19.6169.563.6-8.3000113.3T156 R417D154-T156 PolarHBondContact O-N 2.85Å; D154-T156 VanDerWaalsContact O-N 3.08Å; D154-R417 IonicContact OD2-NE 2.81Å
155G38.6Very low61.5Low57 Ų5787.3 Ų87.359%0.58847%0.474SS*.  trans-67.1106.3-178.500000113.1
156T49.1Very low63Low98 Ų9883.3 Ų83.360%0.60146%0.456SS*.  trans87.171.2171.267.90000117D154 L158D154-T156 PolarHBondContact O-N 2.85Å; D154-T156 VanDerWaalsContact O-N 3.08Å; T156-L158 PolarHBondContact O-N 3.31Å
157M52.6Low64.7Low184 Ų18486.3 Ų86.391%0.90646%0.46SS*.  trans-74.1111.1155.1-65.4-144.587.100108.8
158L65.8Low66.6Low57 Ų5783 Ų8330%0.29844%0.444SS..PPolyproline II helixtrans-60.5141.3167.2-66.4174.1000109.1T156 L251 N253 I279T156-L158 PolarHBondContact O-N 3.31Å; L158-L251 HydrophobicContact CD2-CB 3.8Å; L158-N253 HydrophobicContact CB-CB 4Å; L158-I279 HydrophobicContact CD2-CD1 4.12Å
159K76.7Confident68.7Low135 Ų13584.5 Ų84.559%0.58745%0.453SS*.PPolyproline II helixtrans-68.3138.5172.5-175.7-164162.1-147.40108.8T161 E248 V252 N253K159-T161 PolarHBondContact O-N 3.22Å; K159-E248 IonicContact NZ-OE1 3.16Å; K159-E248 PolarHBondContact NZ-OE1 2.92Å; K159-V252 WeakPolarHBondContact O-CA 3.3Å; K159-N253 PolarHBondContact O-N 3.3Å
160D87.3Confident70.7Confident86 Ų8685.7 Ų85.746%0.4646%0.464SS..BIsolated β-bridgetrans-60.5134.1169.8-71.4-7.5000110N253 P255D160-N253 CarbonylContact C-O 3.54Å; D160-N253 WeakPolarHBondContact CA-O 3.4Å; D160-N253 WeakPolarHBondContact OD1-CB 3.44Å; D160-N253 PolarHBondContact OD1-ND2 3.48Å; D160-P255 HydrophobicContact CB-CG 4.27Å
161T88.9Confident72.9Confident4 Ų488.9 Ų88.93%0.02547%0.468CS..PPolyproline II helixtrans-62.5147.2179.4-175.90000112.2K159 H163 T164 L229 E248 N253K159-T161 PolarHBondContact O-N 3.22Å; T161-H163 PolarHBondContact O-N 3.21Å; T161-H163 PolarHBondContact OG1-N 2.81Å; T161-T164 WeakPolarHBondContact O-CG2 3.46Å; T161-L229 HydrophobicContact CG2-CD1 3.99Å; T161-E248 WeakPolarHBondContact CA-OE2 3.42Å; T161-E248 WeakPolarHBondContact CB-OE2 3.32Å; T161-E248 PolarHBondContact OG1-OE2 3.01Å; T161-N253 PolarHBondContact N-O 2.93Å
162I90.7Very high75Confident97 Ų9789.2 Ų89.250%0.49747%0.466SS..SBendtrans-67.7-20.9171.164.7179.6000112.5T164 E248I162-T164 PolarHBondContact O-N 3.39Å; I162-E248 HydrophobicContact CD1-CG 3.91Å; I162-E248 HydrophobicContact CG1-CG 3.97Å; I162-E248 PolarHBondContact N-OE2 2.86Å; I162-E248 VanDerWaalsContact N-OE2 3.11Å
163H90.1Very high77.1Confident40 Ų4090.5 Ų90.519%0.18548%0.475CS..  trans-86.850.7-176.7-55-69000112.8T161 D165 P228 L229 D247T161-H163 PolarHBondContact O-N 3.21Å; T161-H163 PolarHBondContact OG1-N 2.81Å; H163-D165 VanDerWaalsContact C-N 3.25Å; H163-D165 PolarHBondContact O-N 3.47Å; H163-P228 HydrophobicContact CB-CG 4.13Å; H163-P228 WeakPolarHBondContact NE2-CB 3.12Å; H163-L229 HydrophobicContact CB-CD1 4.03Å; H163-L229 HydrophobicContact CB-CD2 4.41Å; H163-L229 HydrophobicContact CB-CG 4.12Å; H163-D247 IonicContact CE1-OD2 3.57Å; H163-D247 PolarHBondContact CE1-OD2 2.97Å; H163-D247 VanDerWaalsContact CE1-OD2 3.24Å; H163-D247 WeakPolarHBondContact NE2-CB 3.34Å; H163-D247 IonicContact NE2-OD2 2.65Å; H163-D247 PolarHBondContact NE2-OD2 3.28Å
164T81.2Confident79.4Confident82 Ų8286.1 Ų86.150%0.50347%0.466SS..SBendtrans-66.1-24.617953.40000113.8T161 I162 L256T161-T164 WeakPolarHBondContact O-CG2 3.46Å; I162-T164 PolarHBondContact O-N 3.39Å; T164-L256 WeakPolarHBondContact O-CD1 3.48Å
165D87.4Confident82Confident159 Ų15982.5 Ų82.585%0.8545%0.446SS*.SBendtrans-104.863.2173.8-164.722.8000110.4H163 Y167H163-D165 VanDerWaalsContact C-N 3.25Å; H163-D165 PolarHBondContact O-N 3.47Å; D165-Y167 PolarHBondContact O-N 3.26Å
166L91Very high84.2Confident18 Ų1883 Ų839%0.09444%0.439CS..  trans-68.8122.2-176-174.372.2000111.2Q168 L197 P228 L229L166-Q168 HydrophobicContact CD2-CG 4.41Å; L166-Q168 PolarHBondContact O-N 2.85Å; L166-L197 HydrophobicContact CD2-CB 3.42Å; L166-L197 VanDerWaalsContact CD2-CB 3.42Å; L166-L197 HydrophobicContact CD2-CD1 4.47Å; L166-P228 HydrophobicContact CD1-CG 3.9Å; L166-L229 HydrophobicContact CD1-CB 4.19Å; L166-L229 HydrophobicContact CD1-CD1 4.02Å; L166-L229 HydrophobicContact CD1-CG 4Å; L166-L229 HydrophobicContact CD2-CB 4.41Å; L166-L229 HydrophobicContact CD2-CD1 4.2Å
167Y93.3Very high85.6Confident141 Ų14182.6 Ų82.655%0.55344%0.438SS*.  trans-67.5121.5169.7174.7-103.4000110.6D165 V169 S198 Y227D165-Y167 PolarHBondContact O-N 3.26Å; Y167-V169 HydrophobicContact CE1-CG2 3.89Å; Y167-S198 WeakPolarHBondContact O-CA 3.47Å; Y167-S198 WeakPolarHBondContact O-CB 3.5Å; Y167-S198 PolarHBondContact O-OG 3.44Å; Y167-S198 VanDerWaalsContact O-OG 3.14Å; Y167-Y227 HydrophobicContact CD1-CE1 4.35Å
168Q95.7Very high87Confident35 Ų3577.8 Ų77.816%0.16442%0.422CS..  trans-113128.3171.1-54.5-165.5-80.900110.6L166 L197 S198 H260L166-Q168 HydrophobicContact CD2-CG 4.41Å; L166-Q168 PolarHBondContact O-N 2.85Å; Q168-L197 WeakPolarHBondContact CG-O 3.24Å; Q168-L197 PolarHBondContact NE2-O 3.07Å; Q168-S198 CarbonylContact C-O 3.55Å; Q168-S198 WeakPolarHBondContact CA-O 3.31Å; Q168-H260 PolarHBondContact NE2-O 2.78Å
169V93.6Very high87.8Confident42 Ų4278.7 Ų78.726%0.25545%0.446SS..  trans-60.5131.5-177.2177.20000110.1Y167 S198 D199 H263Y167-V169 HydrophobicContact CE1-CG2 3.89Å; V169-S198 PolarHBondContact N-O 2.98Å; V169-D199 HydrophobicContact CG2-CB 3.87Å; V169-H263 PolarHBondContact O-CE1 3.4Å; V169-H263 PolarHBondContact O-NE2 2.87Å
170P91.5Very high88.4Confident85 Ų8574.2 Ų74.255%0.55243%0.425SS*.SBendtrans-62.5143.8174.7-21.331.8000112.3
171N89.1Confident88.7Confident158 Ų15878.9 Ų78.985%0.84544%0.436SS*.SBendtrans61.362.3-176-48.9-58.6000113.6
172P89.3Confident89Confident36 Ų3678.9 Ų78.923%0.23444%0.436CS..PPolyproline II helixtrans-68.9157.3-176.830.1-35.7000112.5H263 F264P172-H263 WeakPolarHBondContact CG-NE2 3.45Å; P172-H263 WeakPolarHBondContact CG-O 3.44Å; P172-F264 HydrophobicContact CB-CD1 3.67Å; P172-F264 HydrophobicContact CB-CE1 3.74Å
173P89.9Confident89.2Confident60 Ų6078.9 Ų78.939%0.3943%0.434SS..PPolyproline II helixtrans-65.3140.8165.829.5-33.7000110.3I175P173-I175 HydrophobicContact CB-CD1 4.3Å; P173-I175 HydrophobicContact CG-CD1 4.15Å; P173-I175 PolarHBondContact O-N 2.87Å
174M90.8Very high89.3Confident143 Ų14380.9 Ų80.970%0.70444%0.442SS*.PPolyproline II helixtrans-79.6119.2170.7-64.3-62.2-68.200109.2
175I89.5Confident89.8Confident16 Ų1682.8 Ų82.88%0.08246%0.456CS..PPolyproline II helixtrans-93.1125.5-174.6-58.1-58.9000110P173 L195 I202 F264 I266P173-I175 HydrophobicContact CB-CD1 4.3Å; P173-I175 HydrophobicContact CG-CD1 4.15Å; P173-I175 PolarHBondContact O-N 2.87Å; I175-L195 HydrophobicContact CD1-CD1 4.23Å; I175-L195 HydrophobicContact CG1-CD1 4.08Å; I175-I202 HydrophobicContact CD1-CD1 4.2Å; I175-I202 HydrophobicContact CG2-CD1 4.18Å; I175-F264 HydrophobicContact CB-CB 4.44Å; I175-F264 HydrophobicContact CG1-CB 3.89Å; I175-F264 HydrophobicContact CG1-CG 4.46Å; I175-F264 PolarHBondContact N-O 3.14Å; I175-I266 HydrophobicContact CB-CD1 4Å; I175-I266 HydrophobicContact CB-CG1 4.19Å; I175-I266 HydrophobicContact CG2-CD1 3.97Å; I175-I266 HydrophobicContact CG2-CG1 4.47Å
176P85.1Confident89.9Confident67 Ų6779.6 Ų79.644%0.43546%0.461SS..PPolyproline II helixtrans-67.6160.2178.428.7-35.1000111.7S178 W180P176-S178 VanDerWaalsContact C-N 3.26Å; P176-S178 PolarHBondContact O-N 2.79Å; P176-W180 WeakPolarHBondContact O-CZ2 3.49Å; P176-W180 PolarHBondContact O-NE1 3.49Å
177P78.8Confident89.9Confident90 Ų9079.6 Ų79.658%0.58446%0.462SS*.SBendtrans-72.8-12.7-179.229.7-36.8000114.8W180 M271P177-W180 WeakPolarHBondContact O-CH2 3.27Å; P177-W180 WeakPolarHBondContact O-CZ2 3.37Å; P177-M271 HydrophobicContact CB-CE 3.71Å; P177-M271 HydrophobicContact CB-SD 4.43Å
178S81.8Confident89.8Confident82 Ų8279.4 Ų79.457%0.57347%0.471SS*.SBendtrans-163.1178.6178.865.30000111.1P176P176-S178 VanDerWaalsContact C-N 3.26Å; P176-S178 PolarHBondContact O-N 2.79Å
179G82.2Confident89.4Confident76 Ų7680.1 Ų80.178%0.78447%0.473SS*.  trans78.624.2175.900000114.3
180W90.1Very high89.1Confident42 Ų4283 Ų8316%0.15949%0.491CS..  trans-70.1153.7179.5-46.7-67.5000112.2P176 P177 L193 I202 L233P176-W180 WeakPolarHBondContact O-CZ2 3.49Å; P176-W180 PolarHBondContact O-NE1 3.49Å; P177-W180 WeakPolarHBondContact O-CH2 3.27Å; P177-W180 WeakPolarHBondContact O-CZ2 3.37Å; W180-L193 HydrophobicContact CB-CD1 3.6Å; W180-I202 HydrophobicContact CB-CD1 4.28Å; W180-I202 HydrophobicContact CB-CG2 4.45Å; W180-I202 HydrophobicContact CG-CD1 4.18Å; W180-L233 HydrophobicContact CB-CD1 3.99Å; W180-L233 HydrophobicContact CD2-CB 4.23Å; W180-L233 HydrophobicContact CD2-CD1 3.85Å; W180-L233 HydrophobicContact CD2-CD2 4.3Å; W180-L233 HydrophobicContact CD2-CG 4.37Å; W180-L233 HydrophobicContact CE3-CB 3.82Å; W180-L233 HydrophobicContact CE3-CD1 4.24Å; W180-L233 HydrophobicContact CE3-CG 4.45Å; W180-L233 HydrophobicContact CG-CD1 3.73Å; W180-L233 HydrophobicContact CH2-CD2 4.49Å; W180-L233 HydrophobicContact CZ2-CD2 4.18Å; W180-L233 HydrophobicContact CZ3-CB 3.99Å
181R92.9Very high88.8Confident184 Ų18482.7 Ų82.769%0.69449%0.485SS*.  trans-144.8155.9171.465.8-178.2-177.1-152.1-0.7109Q183 T190R181-Q183 PolarHBondContact O-N 2.92Å; R181-T190 HydrophobicContact CB-CG2 4.47Å
182C94.3Very high88.6Confident4 Ų476 Ų763%0.02745%0.449CS..  trans-58.2129.3172.2-1770000110.5K184 C187 K189 L193 C204 H217C182-K184 VanDerWaalsContact C-N 3.31Å; C182-C187 HydrophobicContact CB-CB 4Å; C182-K189 HydrophobicContact CB-CB 4.24Å; C182-K189 PolarHBondContact N-O 2.73Å; C182-L193 HydrophobicContact CB-CD2 4.06Å; C182-C204 HydrophobicContact CB-CB 4.24Å; C182-H217 PolarHBondContact SG-ND1 2.85Å
183Q94.8Very high88.8Confident97 Ų9774.4 Ų74.445%0.45344%0.438SS..  trans-85.1-2.6-176.6-68174.3-21.900113.4R181 I202 F203R181-Q183 PolarHBondContact O-N 2.92Å; Q183-I202 WeakPolarHBondContact CB-O 3.47Å; Q183-I202 HydrophobicContact CG-CB 4.21Å; Q183-I202 PolarHBondContact N-O 3.45Å; Q183-F203 HydrophobicContact CB-CD1 4.41Å; Q183-F203 HydrophobicContact CB-CE1 3.97Å
184K92.9Very high89Confident81 Ų8172 Ų7235%0.35242%0.421SS..SBendtrans-71128.1178.9-170.980.9171.6-167.30109.4C182 G186 C187 F203 H217C182-K184 VanDerWaalsContact C-N 3.31Å; K184-G186 PolarHBondContact O-N 3.42Å; K184-C187 HydrophobicContact CB-CB 4.15Å; K184-C187 WeakPolarHBondContact O-CB 3.47Å; K184-C187 PolarHBondContact O-N 3.09Å; K184-F203 HydrophobicContact CB-CD1 4.07Å; K184-F203 HydrophobicContact CB-CE1 3.97Å; K184-H217 HydrophobicContact CB-CB 4.28Å; K184-H217 WeakPolarHBondContact CB-ND1 3.38Å
185P91.1Very high89.3Confident122 Ų12265.1 Ų65.179%0.79239%0.388SS*.THydrogen-bonded Turntrans-54.9126.2175.7-25.634.4000111.5
186G90.2Very high89.6Confident92 Ų9264.4 Ų64.495%0.94838%0.384SS*.THydrogen-bonded Turntrans89.70.3-178.800000115.5K184K184-G186 PolarHBondContact O-N 3.42Å
187C91.7Very high90.2Very high18 Ų1861.2 Ų61.212%0.12236%0.363CS..  trans-98.4133174.3-164.90000111.5C182 K184 N215 H217C182-C187 HydrophobicContact CB-CB 4Å; K184-C187 HydrophobicContact CB-CB 4.15Å; K184-C187 WeakPolarHBondContact O-CB 3.47Å; K184-C187 PolarHBondContact O-N 3.09Å; C187-N215 PolarHBondContact SG-ND2 3.09Å; C187-N215 VanDerWaalsContact SG-ND2 3.35Å; C187-H217 VanDerWaalsContact CB-CE1 3.47Å; C187-H217 WeakPolarHBondContact CB-CE1 3.25Å; C187-H217 PolarHBondContact SG-CE1 3.26Å
188D90.4Very high91Very high137 Ų13757 Ų5773%0.73334%0.336SS*.  trans-109.22.3-179.562-16.5000113.9T190D188-T190 PolarHBondContact O-N 2.93Å
189K87.7Confident91.7Very high51 Ų5154.5 Ų54.522%0.22232%0.316CS..  trans-57.7126.9178.4-68.9-76173171.50112.6C182 C204 G213C182-K189 HydrophobicContact CB-CB 4.24Å; C182-K189 PolarHBondContact N-O 2.73Å; K189-C204 HydrophobicContact CB-CB 3.86Å; K189-C204 HydrophobicContact CG-CB 4.12Å; K189-G213 WeakPolarHBondContact CE-O 3.21Å; K189-G213 PolarHBondContact NZ-O 3.37Å
190T87.7Confident92.3Very high101 Ų10151 Ų5162%0.6228%0.28SS*.  trans-114.4-2.9174.856.60000113.1R181 D188R181-T190 HydrophobicContact CB-CG2 4.47Å; D188-T190 PolarHBondContact O-N 2.93Å
191D84.9Confident92.6Very high80 Ų8050.2 Ų50.243%0.42828%0.28SS..SBendtrans-122.5162.1-179.363.4-35.6000110.7L193D191-L193 VanDerWaalsContact C-N 3.34Å; D191-L193 PolarHBondContact O-N 3.33Å
192N85.4Confident92.7Very high16 Ų1641.7 Ų41.79%0.08625%0.248CC..SBendtrans5350.7-179-169.214.3000112.3W194 C204 G205N192-W194 PolarHBondContact OD1-NE1 3.32Å; N192-C204 WeakPolarHBondContact O-CA 3.48Å; N192-G205 PolarHBondContact O-N 2.96Å
193L92.3Very high92.8Very high3 Ų342.7 Ų42.72%0.01625%0.252CS..EExtended strand (participates in β ladder)trans-98.7139.1-176.3-59.3178.5000110.9W180 C182 D191 I202 C204 L233W180-L193 HydrophobicContact CB-CD1 3.6Å; C182-L193 HydrophobicContact CB-CD2 4.06Å; D191-L193 VanDerWaalsContact C-N 3.34Å; D191-L193 PolarHBondContact O-N 3.33Å; L193-I202 HydrophobicContact CB-CG2 3.99Å; L193-I202 HydrophobicContact CD1-CG2 4.22Å; L193-I202 HydrophobicContact CG-CG2 4.48Å; L193-C204 HydrophobicContact CD2-CB 4.15Å; L193-L233 HydrophobicContact CB-CB 4.26Å; L193-L233 HydrophobicContact CB-CD1 3.98Å; L193-L233 WeakPolarHBondContact O-CB 3.4Å; L193-L233 PolarHBondContact O-N 3.38Å
194W95Very high92.8Very high9 Ų938 Ų383%0.03423%0.23CC..EExtended strand (participates in β ladder)trans-121.9123.8-176.8-65.979.9000108.8N192 I202 F203 A230 V231 K232 F244 L251 M278N192-W194 PolarHBondContact OD1-NE1 3.32Å; W194-I202 WeakPolarHBondContact O-CA 3.39Å; W194-F203 PolarHBondContact N-O 3.13Å; W194-F203 PolarHBondContact O-N 3.47Å; W194-A230 HydrophobicContact CB-CB 4.18Å; W194-A230 HydrophobicContact CE3-CB 4.22Å; W194-V231 WeakPolarHBondContact CA-O 3.41Å; W194-K232 HydrophobicContact CD2-CB 4.16Å; W194-K232 HydrophobicContact CD2-CG 4.43Å; W194-K232 HydrophobicContact CE3-CB 3.93Å; W194-K232 HydrophobicContact CH2-CB 3.85Å; W194-K232 HydrophobicContact CH2-CD 4.31Å; W194-K232 HydrophobicContact CH2-CG 4.38Å; W194-K232 HydrophobicContact CZ2-CB 4.06Å; W194-K232 HydrophobicContact CZ2-CD 3.96Å; W194-K232 HydrophobicContact CZ2-CG 4.1Å; W194-K232 HydrophobicContact CZ3-CB 3.76Å; W194-F244 HydrophobicContact CE3-CB 4.15Å; W194-F244 HydrophobicContact CH2-CB 3.88Å; W194-F244 HydrophobicContact CZ3-CB 3.43Å; W194-F244 VanDerWaalsContact CZ3-CB 3.43Å; W194-L251 HydrophobicContact CH2-CD2 4.45Å; W194-M278 HydrophobicContact CH2-CE 4.33Å; W194-M278 HydrophobicContact CZ2-CE 3.62Å
195L96.3Very high92.6Very high0 Ų034.3 Ų34.30%021%0.214CC..EExtended strand (participates in β ladder)trans-91.1116.6174.2173.971000108.3I175 L197 G200 T201 I202 A230 V231 L233 L261 F264 I266I175-L195 HydrophobicContact CD1-CD1 4.23Å; I175-L195 HydrophobicContact CG1-CD1 4.08Å; L195-L197 PolarHBondContact O-N 3.3Å; L195-G200 WeakPolarHBondContact CD1-O 3Å; L195-T201 WeakPolarHBondContact CA-O 3.43Å; L195-I202 HydrophobicContact CD1-CD1 4.49Å; L195-I202 HydrophobicContact CD1-CG1 3.81Å; L195-A230 CarbonylContact O-C 3.53Å; L195-A230 VanDerWaalsContact O-CA 3.23Å; L195-A230 WeakPolarHBondContact O-CA 3.44Å; L195-V231 HydrophobicContact CB-CG1 3.83Å; L195-V231 HydrophobicContact CD2-CG1 4.07Å; L195-V231 HydrophobicContact CG-CG1 4.29Å; L195-V231 PolarHBondContact N-O 2.86Å; L195-V231 PolarHBondContact O-N 3.23Å; L195-L233 HydrophobicContact CB-CD1 4.29Å; L195-L233 HydrophobicContact CB-CD2 3.85Å; L195-L233 HydrophobicContact CB-CG 3.97Å; L195-L233 HydrophobicContact CD2-CD2 4.3Å; L195-L261 HydrophobicContact CD2-CD2 4.27Å; L195-F264 HydrophobicContact CD2-CD2 4.4Å; L195-I266 HydrophobicContact CD2-CD1 3.62Å
196N97Very high92.2Very high1 Ų133.1 Ų33.11%0.00519%0.194CC..EExtended strand (participates in β ladder)trans-70.7125.4174.3-172.1-76.1000109.9S198 D199 G200 T201 Y227N196-S198 PolarHBondContact O-N 3.06Å; N196-S198 WeakPolarHBondContact OD1-CB 3.48Å; N196-S198 PolarHBondContact OD1-N 3.35Å; N196-D199 WeakPolarHBondContact CB-OD1 3.46Å; N196-G200 WeakPolarHBondContact O-CA 3.39Å; N196-G200 PolarHBondContact O-N 3.42Å; N196-T201 WeakPolarHBondContact CB-OG1 3.16Å; N196-T201 PolarHBondContact N-O 2.96Å; N196-Y227 WeakPolarHBondContact ND2-CB 3.41Å; N196-Y227 PolarHBondContact ND2-O 3.29Å; N196-Y227 VanDerWaalsContact ND2-O 3.13Å; N196-Y227 WeakPolarHBondContact OD1-CB 3.21Å
197L96.7Very high91.7Very high0 Ų036.4 Ų36.40%018%0.178CC..THydrogen-bonded Turntrans-75.8-8.9-173.3-67.5-178.4000113.2L166 Q168 L195 L229 V231 V243 L257 H260 L261 F264L166-L197 HydrophobicContact CD2-CB 3.42Å; L166-L197 VanDerWaalsContact CD2-CB 3.42Å; L166-L197 HydrophobicContact CD2-CD1 4.47Å; Q168-L197 WeakPolarHBondContact CG-O 3.24Å; Q168-L197 PolarHBondContact NE2-O 3.07Å; L195-L197 PolarHBondContact O-N 3.3Å; L197-L229 HydrophobicContact CB-CB 4.22Å; L197-L229 HydrophobicContact CD1-CB 3.99Å; L197-L229 HydrophobicContact CG-CB 4.42Å; L197-L229 PolarHBondContact N-O 3.39Å; L197-V231 HydrophobicContact CD2-CB 4.11Å; L197-V231 HydrophobicContact CD2-CG1 3.6Å; L197-V231 HydrophobicContact CG-CB 4.42Å; L197-V231 HydrophobicContact CG-CG1 4.31Å; L197-V243 HydrophobicContact CD1-CG1 4.22Å; L197-L257 HydrophobicContact CD1-CD1 3.95Å; L197-L257 HydrophobicContact CD2-CD1 4.37Å; L197-H260 HydrophobicContact CD1-CB 4.43Å; L197-H260 HydrophobicContact CD2-CB 4.37Å; L197-L261 HydrophobicContact CD2-CD2 4.17Å; L197-F264 VanDerWaalsContact O-CE2 3.32Å; L197-F264 WeakPolarHBondContact O-CE2 3.42Å; L197-F264 WeakPolarHBondContact O-CZ 3.43Å
198S96.1Very high90.5Very high2 Ų240 Ų401%0.01419%0.19CC..THydrogen-bonded Turntrans-89.5-44.5177.6-560000112.6Y167 Q168 V169 N196 Y227Y167-S198 WeakPolarHBondContact O-CA 3.47Å; Y167-S198 WeakPolarHBondContact O-CB 3.5Å; Y167-S198 PolarHBondContact O-OG 3.44Å; Y167-S198 VanDerWaalsContact O-OG 3.14Å; Q168-S198 CarbonylContact C-O 3.55Å; Q168-S198 WeakPolarHBondContact CA-O 3.31Å; V169-S198 PolarHBondContact N-O 2.98Å; N196-S198 PolarHBondContact O-N 3.06Å; N196-S198 WeakPolarHBondContact OD1-CB 3.48Å; N196-S198 PolarHBondContact OD1-N 3.35Å; S198-Y227 VanDerWaalsContact CB-CG 3.48Å
199D95.7Very high88.4Confident29 Ų2942.7 Ų42.716%0.15520%0.195CC..THydrogen-bonded Turntrans-122.4-6.8-172.569.61.6000115.7V169 N196 T201 H221 Y227V169-D199 HydrophobicContact CG2-CB 3.87Å; N196-D199 WeakPolarHBondContact CB-OD1 3.46Å; D199-T201 VanDerWaalsContact C-N 3.32Å; D199-T201 WeakPolarHBondContact OD1-CB 3.33Å; D199-T201 WeakPolarHBondContact OD1-CG2 3.22Å; D199-T201 PolarHBondContact OD1-N 3.04Å; D199-T201 PolarHBondContact OD1-OG1 2.87Å; D199-T201 WeakPolarHBondContact OD2-CG2 3.38Å; D199-H221 IonicContact OD1-NE2 3.4Å; D199-H221 PolarHBondContact OD1-NE2 3.08Å; D199-H221 IonicContact OD2-CE1 2.98Å; D199-H221 PolarHBondContact OD2-CE1 3.11Å; D199-H221 IonicContact OD2-NE2 2.79Å; D199-H221 PolarHBondContact OD2-NE2 3.27Å; D199-Y227 HydrophobicContact CB-CD2 4.02Å; D199-Y227 HydrophobicContact CB-CE2 3.69Å; D199-Y227 WeakPolarHBondContact OD2-CD2 3.23Å; D199-Y227 WeakPolarHBondContact OD2-CE2 3.46Å
200G94.9Very high86.7Confident1 Ų144.5 Ų44.51%0.0121%0.207CC..  trans7815177.900000114.4L195 N196L195-G200 WeakPolarHBondContact CD1-O 3Å; N196-G200 WeakPolarHBondContact O-CA 3.39Å; N196-G200 PolarHBondContact O-N 3.42Å
201T95.7Very high85.1Confident26 Ų2641.7 Ų41.716%0.1620%0.199CC..  trans-70.7143.1173.253.80000111.6L195 N196 D199 F203 H221L195-T201 WeakPolarHBondContact CA-O 3.43Å; N196-T201 WeakPolarHBondContact CB-OG1 3.16Å; N196-T201 PolarHBondContact N-O 2.96Å; D199-T201 VanDerWaalsContact C-N 3.32Å; D199-T201 WeakPolarHBondContact OD1-CB 3.33Å; D199-T201 WeakPolarHBondContact OD1-CG2 3.22Å; D199-T201 PolarHBondContact OD1-N 3.04Å; D199-T201 PolarHBondContact OD1-OG1 2.87Å; D199-T201 WeakPolarHBondContact OD2-CG2 3.38Å; T201-F203 HydrophobicContact CG2-CE2 4.21Å; T201-H221 PolarHBondContact OG1-CD2 3.28Å; T201-H221 PolarHBondContact OG1-NE2 2.78Å
202I96.5Very high84.3Confident6 Ų641.4 Ų41.43%0.03120%0.2CC..EExtended strand (participates in β ladder)trans-114.3111.3179.6-58.7175.8000109.6I175 W180 Q183 L193 W194 L195 L233I175-I202 HydrophobicContact CD1-CD1 4.2Å; I175-I202 HydrophobicContact CG2-CD1 4.18Å; W180-I202 HydrophobicContact CB-CD1 4.28Å; W180-I202 HydrophobicContact CB-CG2 4.45Å; W180-I202 HydrophobicContact CG-CD1 4.18Å; Q183-I202 WeakPolarHBondContact CB-O 3.47Å; Q183-I202 HydrophobicContact CG-CB 4.21Å; Q183-I202 PolarHBondContact N-O 3.45Å; L193-I202 HydrophobicContact CB-CG2 3.99Å; L193-I202 HydrophobicContact CD1-CG2 4.22Å; L193-I202 HydrophobicContact CG-CG2 4.48Å; W194-I202 WeakPolarHBondContact O-CA 3.39Å; L195-I202 HydrophobicContact CD1-CD1 4.49Å; L195-I202 HydrophobicContact CD1-CG1 3.81Å; I202-L233 HydrophobicContact CB-CD1 4.37Å; I202-L233 HydrophobicContact CD1-CD1 3.83Å; I202-L233 HydrophobicContact CG1-CD1 3.96Å; I202-L233 HydrophobicContact CG2-CD1 3.53Å
203F96.5Very high83.6Confident24 Ų2441.2 Ų41.211%0.10520%0.202CC..EExtended strand (participates in β ladder)trans-128.3154.3179.7-68.9-50.2000112.6Q183 K184 W194 T201 H217 H221Q183-F203 HydrophobicContact CB-CD1 4.41Å; Q183-F203 HydrophobicContact CB-CE1 3.97Å; K184-F203 HydrophobicContact CB-CD1 4.07Å; K184-F203 HydrophobicContact CB-CE1 3.97Å; W194-F203 PolarHBondContact N-O 3.13Å; W194-F203 PolarHBondContact O-N 3.47Å; T201-F203 HydrophobicContact CG2-CE2 4.21Å; F203-H217 HydrophobicContact CB-CB 3.74Å; F203-H217 HydrophobicContact CD1-CB 3.97Å; F203-H217 HydrophobicContact CG-CB 3.98Å; F203-H221 HydrophobicContact CD2-CB 3.53Å; F203-H221 AromaticContact CD2-CG 3.76Å; F203-H221 HydrophobicContact CE2-CB 3.63Å; F203-H221 AromaticContact CE2-CG 3.51Å; F203-H221 AromaticContact CE2-ND1 3.47Å; F203-H221 WeakPolarHBondContact CE2-ND1 3.42Å
204C93.4Very high83.2Confident0 Ų041.1 Ų41.10%020%0.202CC..EExtended strand (participates in β ladder)trans-76.5151.2176.560.10000111.2C182 K189 N192 L193 N215 H217 S218C182-C204 HydrophobicContact CB-CB 4.24Å; K189-C204 HydrophobicContact CB-CB 3.86Å; K189-C204 HydrophobicContact CG-CB 4.12Å; N192-C204 WeakPolarHBondContact O-CA 3.48Å; L193-C204 HydrophobicContact CD2-CB 4.15Å; C204-N215 PolarHBondContact SG-N 3.23Å; C204-H217 PolarHBondContact O-N 3.38Å; C204-H217 PolarHBondContact SG-ND1 3.46Å; C204-S218 PolarHBondContact O-N 3.48Å; C204-S218 VanDerWaalsContact O-N 3.07Å
205G88.4Confident82.9Confident2 Ų243.8 Ų43.82%0.02122%0.216CC..  trans-69.8-165.6-17600000114.8N192 G214 N215 N216N192-G205 PolarHBondContact O-N 2.96Å; G205-G214 CarbonylContact O-C 3.56Å; G205-G214 VanDerWaalsContact O-CA 3.22Å; G205-G214 WeakPolarHBondContact O-CA 3.39Å; G205-N215 PolarHBondContact O-N 2.88Å; G205-N216 WeakPolarHBondContact O-CA 3.29Å; G205-N216 PolarHBondContact O-N 3.24Å
206R83Confident82.6Confident97 Ų9746.5 Ų46.537%0.36623%0.231SC..PPolyproline II helixtrans-68150.5-179.6-63.7-176.9-177.6-165.80.7111.9G214 N216 D249R206-G214 PolarHBondContact O-N 3.19Å; R206-N216 WeakPolarHBondContact CA-OD1 3.34Å; R206-D249 IonicContact CZ-OD1 2.68Å; R206-D249 IonicContact NH1-OD1 2.73Å; R206-D249 PolarHBondContact NH1-OD1 2.74Å; R206-D249 IonicContact NH1-OD2 2.72Å; R206-D249 IonicContact NH2-OD1 2.58Å; R206-D249 PolarHBondContact NH2-OD1 3.29Å
207R79.3Confident82.5Confident161 Ų16147.8 Ų47.861%0.60824%0.237SC*.BIsolated β-bridgetrans-81130.3170.7-169.4176.8-178.6-171.4-1109.6G214 N216R207-G214 VanDerWaalsContact CA-O 3.25Å; R207-G214 WeakPolarHBondContact CA-O 3.41Å; R207-G214 VanDerWaalsContact CB-O 3.25Å; R207-G214 WeakPolarHBondContact CB-O 3.4Å; R207-N216 PolarHBondContact N-OD1 2.86Å
208Y68.3Low82.2Confident95 Ų9547.9 Ų47.937%0.37324%0.237SC..PPolyproline II helixtrans-83.4159.1175.1-58-51.4000111.4D210 G211 T212 G213Y208-D210 WeakPolarHBondContact CB-OD1 3.48Å; Y208-D210 PolarHBondContact O-N 2.82Å; Y208-G211 PolarHBondContact O-N 3.08Å; Y208-T212 WeakPolarHBondContact CB-O 3.45Å; Y208-T212 WeakPolarHBondContact CD2-OG1 3.44Å; Y208-T212 PolarHBondContact N-O 3.15Å; Y208-G213 VanDerWaalsContact CD2-CA 3.47Å
209F45.1Very low82Confident193 Ų19349.1 Ų49.185%0.84625%0.245SC*.THydrogen-bonded Turntrans-64.2-25-17768.4-92.1000113.3G211F209-G211 PolarHBondContact O-N 3.3Å
210D52.4Low81.8Confident88 Ų8850.8 Ų50.847%0.47125%0.254SS..THydrogen-bonded Turntrans-80.40.7176.970-7.9000113.2Y208 T212Y208-D210 WeakPolarHBondContact CB-OD1 3.48Å; Y208-D210 PolarHBondContact O-N 2.82Å; D210-T212 VanDerWaalsContact C-N 3.33Å; D210-T212 VanDerWaalsContact CG-OG1 3.25Å; D210-T212 WeakPolarHBondContact OD1-CB 3.39Å; D210-T212 PolarHBondContact OD1-N 3.47Å; D210-T212 PolarHBondContact OD1-OG1 3.43Å; D210-T212 PolarHBondContact OD2-OG1 3.29Å; D210-T212 VanDerWaalsContact OD2-OG1 3.09Å
211G54Low81.8Confident43 Ų4351.8 Ų51.844%0.44326%0.258SS..SBendtrans86.7-4.2-178.200000114.5Y208 F209Y208-G211 PolarHBondContact O-N 3.08Å; F209-G211 PolarHBondContact O-N 3.3Å
212T67.5Low81.7Confident73 Ų7352.4 Ų52.445%0.44826%0.259SS..  trans-86.2-179.8174.874.30000111.4Y208 D210Y208-T212 WeakPolarHBondContact CB-O 3.45Å; Y208-T212 WeakPolarHBondContact CD2-OG1 3.44Å; Y208-T212 PolarHBondContact N-O 3.15Å; D210-T212 VanDerWaalsContact C-N 3.33Å; D210-T212 VanDerWaalsContact CG-OG1 3.25Å; D210-T212 WeakPolarHBondContact OD1-CB 3.39Å; D210-T212 PolarHBondContact OD1-N 3.47Å; D210-T212 PolarHBondContact OD1-OG1 3.43Å; D210-T212 PolarHBondContact OD2-OG1 3.29Å; D210-T212 VanDerWaalsContact OD2-OG1 3.09Å
213G72.4Confident81.5Confident13 Ų1356.5 Ų56.513%0.13429%0.287CS..BIsolated β-bridgetrans92.1-149.4-176.600000113.7K189 Y208K189-G213 WeakPolarHBondContact CE-O 3.21Å; K189-G213 PolarHBondContact NZ-O 3.37Å; Y208-G213 VanDerWaalsContact CD2-CA 3.47Å
214G82Confident81.3Confident1 Ų161.6 Ų61.61%0.0132%0.315CS..  trans-96.7-167.5179.200000113.6G205 R206 R207G205-G214 CarbonylContact O-C 3.56Å; G205-G214 VanDerWaalsContact O-CA 3.22Å; G205-G214 WeakPolarHBondContact O-CA 3.39Å; R206-G214 PolarHBondContact O-N 3.19Å; R207-G214 VanDerWaalsContact CA-O 3.25Å; R207-G214 WeakPolarHBondContact CA-O 3.41Å; R207-G214 VanDerWaalsContact CB-O 3.25Å; R207-G214 WeakPolarHBondContact CB-O 3.4Å
215N89.5Confident81.2Confident64 Ų6463.6 Ų63.634%0.34233%0.327SS..  trans-113.425.2-177.7-65.7-30.1000112.2C187 C204 G205 H217C187-N215 PolarHBondContact SG-ND2 3.09Å; C187-N215 VanDerWaalsContact SG-ND2 3.35Å; C204-N215 PolarHBondContact SG-N 3.23Å; G205-N215 PolarHBondContact O-N 2.88Å; N215-H217 PolarHBondContact O-CD2 2.95Å; N215-H217 PolarHBondContact O-N 3.04Å; N215-H217 VanDerWaalsContact O-N 3.15Å
216N89.7Confident81.5Confident58 Ų5867 Ų6731%0.3136%0.355SS..SBendtrans63.411.4-179.5-63.7-25.7000115.6G205 R206 R207 S218 V219 D220G205-N216 WeakPolarHBondContact O-CA 3.29Å; G205-N216 PolarHBondContact O-N 3.24Å; R206-N216 WeakPolarHBondContact CA-OD1 3.34Å; R207-N216 PolarHBondContact N-OD1 2.86Å; N216-S218 VanDerWaalsContact C-N 3.28Å; N216-S218 PolarHBondContact O-N 3.38Å; N216-V219 HydrophobicContact CB-CG1 3.67Å; N216-V219 WeakPolarHBondContact O-CG1 3.23Å; N216-V219 PolarHBondContact O-N 3.33Å; N216-D220 VanDerWaalsContact O-CG 3.28Å; N216-D220 PolarHBondContact O-N 2.84Å
217H94.7Very high82.1Confident28 Ų2865.1 Ų65.113%0.1335%0.349CS..Hα-helixtrans-65.4-28.9-174-64.4150.4000114.1C182 K184 C187 F203 C204 N215 H221C182-H217 PolarHBondContact SG-ND1 2.85Å; K184-H217 HydrophobicContact CB-CB 4.28Å; K184-H217 WeakPolarHBondContact CB-ND1 3.38Å; C187-H217 VanDerWaalsContact CB-CE1 3.47Å; C187-H217 WeakPolarHBondContact CB-CE1 3.25Å; C187-H217 PolarHBondContact SG-CE1 3.26Å; F203-H217 HydrophobicContact CB-CB 3.74Å; F203-H217 HydrophobicContact CD1-CB 3.97Å; F203-H217 HydrophobicContact CG-CB 3.98Å; C204-H217 PolarHBondContact O-N 3.38Å; C204-H217 PolarHBondContact SG-ND1 3.46Å; N215-H217 PolarHBondContact O-CD2 2.95Å; N215-H217 PolarHBondContact O-N 3.04Å; N215-H217 VanDerWaalsContact O-N 3.15Å; H217-H221 WeakPolarHBondContact O-CB 3.33Å; H217-H221 PolarHBondContact O-N 3.02Å
218S91.8Very high82.8Confident1 Ų158.2 Ų58.21%0.00733%0.325CS..Hα-helixtrans-75.2-36.6177.6-163.10000112.5C204 N216 H221 F222 Y246C204-S218 PolarHBondContact O-N 3.48Å; C204-S218 VanDerWaalsContact O-N 3.07Å; N216-S218 VanDerWaalsContact C-N 3.28Å; N216-S218 PolarHBondContact O-N 3.38Å; S218-H221 WeakPolarHBondContact O-CB 3.48Å; S218-H221 PolarHBondContact O-N 2.98Å; S218-F222 PolarHBondContact O-N 3.47Å; S218-F222 VanDerWaalsContact O-N 3.1Å; S218-Y246 WeakPolarHBondContact CB-OH 3.11Å; S218-Y246 PolarHBondContact OG-OH 3.42Å
219V90.8Very high84.2Confident29 Ų2953.7 Ų53.718%0.17631%0.307CS..Hα-helixtrans-71-39172.762.40000111.4N216 H221 F222 C223 Y246N216-V219 HydrophobicContact CB-CG1 3.67Å; N216-V219 WeakPolarHBondContact O-CG1 3.23Å; N216-V219 PolarHBondContact O-N 3.33Å; V219-H221 PolarHBondContact O-N 3.45Å; V219-F222 PolarHBondContact O-N 2.89Å; V219-C223 PolarHBondContact O-N 2.84Å; V219-C223 PolarHBondContact O-SG 2.84Å; V219-Y246 HydrophobicContact CB-CD1 4.38Å; V219-Y246 HydrophobicContact CB-CE1 4.05Å; V219-Y246 HydrophobicContact CG2-CD1 4.39Å
220D92.3Very high86.6Confident64 Ų6444.5 Ų44.534%0.34227%0.267SS..Hα-helixtrans-58.8-38.3172.7-69.4-14.4000111.1N216 C223 N224N216-D220 VanDerWaalsContact O-CG 3.28Å; N216-D220 PolarHBondContact O-N 2.84Å; D220-C223 PolarHBondContact O-N 3.43Å; D220-N224 PolarHBondContact O-N 3.3Å; D220-N224 PolarHBondContact O-ND2 3.27Å
221H94.5Very high88.6Confident22 Ų2240.3 Ų40.310%0.10224%0.244CC..Hα-helixtrans-64.8-46.2176.8-17563.7000112.2D199 T201 F203 H217 S218 V219 C223 N224 T225 Y227D199-H221 IonicContact OD1-NE2 3.4Å; D199-H221 PolarHBondContact OD1-NE2 3.08Å; D199-H221 IonicContact OD2-CE1 2.98Å; D199-H221 PolarHBondContact OD2-CE1 3.11Å; D199-H221 IonicContact OD2-NE2 2.79Å; D199-H221 PolarHBondContact OD2-NE2 3.27Å; T201-H221 PolarHBondContact OG1-CD2 3.28Å; T201-H221 PolarHBondContact OG1-NE2 2.78Å; F203-H221 HydrophobicContact CD2-CB 3.53Å; F203-H221 AromaticContact CD2-CG 3.76Å; F203-H221 HydrophobicContact CE2-CB 3.63Å; F203-H221 AromaticContact CE2-CG 3.51Å; F203-H221 AromaticContact CE2-ND1 3.47Å; F203-H221 WeakPolarHBondContact CE2-ND1 3.42Å; H217-H221 WeakPolarHBondContact O-CB 3.33Å; H217-H221 PolarHBondContact O-N 3.02Å; S218-H221 WeakPolarHBondContact O-CB 3.48Å; S218-H221 PolarHBondContact O-N 2.98Å; V219-H221 PolarHBondContact O-N 3.45Å; H221-C223 PolarHBondContact O-N 2.9Å; H221-N224 PolarHBondContact O-N 2.7Å; H221-N224 VanDerWaalsContact O-N 3.15Å; H221-T225 VanDerWaalsContact CE1-CG2 3.44Å; H221-T225 WeakPolarHBondContact CE1-CG2 2.97Å; H221-T225 WeakPolarHBondContact O-CB 2.81Å; H221-T225 PolarHBondContact O-N 2.82Å; H221-T225 PolarHBondContact O-OG1 2.92Å; H221-Y227 AromaticContact NE2-CD2 3.85Å
222F94Very high90.5Very high39 Ų3938.3 Ų38.317%0.17122%0.223CC..Hα-helixtrans-56.8-48.4173167.6-109000111.6S218 V219 N224 T225 A226 Y227 P228 Y246 D247S218-F222 PolarHBondContact O-N 3.47Å; S218-F222 VanDerWaalsContact O-N 3.1Å; V219-F222 PolarHBondContact O-N 2.89Å; F222-N224 PolarHBondContact O-N 2.81Å; F222-N224 VanDerWaalsContact O-N 3.1Å; F222-T225 PolarHBondContact O-N 3.3Å; F222-T225 VanDerWaalsContact O-N 3.17Å; F222-A226 WeakPolarHBondContact O-CA 3.32Å; F222-A226 PolarHBondContact O-N 3.34Å; F222-Y227 WeakPolarHBondContact CD2-O 3.48Å; F222-P228 HydrophobicContact CE2-CB 4.44Å; F222-Y246 HydrophobicContact CB-CD1 4.47Å; F222-Y246 HydrophobicContact CB-CD2 3.85Å; F222-Y246 HydrophobicContact CB-CG 3.81Å; F222-Y246 VanDerWaalsContact CD1-CB 3.45Å; F222-Y246 HydrophobicContact CD1-CG 4.14Å; F222-Y246 HydrophobicContact CD2-CG 4.34Å; F222-Y246 HydrophobicContact CG-CD2 4.21Å; F222-Y246 AromaticContact CG-CG 3.84Å; F222-Y246 HydrophobicContact CG-CG 3.84Å; F222-D247 HydrophobicContact CZ-CB 4.35Å
223C91.1Very high91.5Very high92 Ų9234.9 Ų34.962%0.62220%0.202SC*.Hα-helixtrans-57.4-29178.2-69.20000113.5V219 D220 H221V219-C223 PolarHBondContact O-N 2.84Å; V219-C223 PolarHBondContact O-SG 2.84Å; D220-C223 PolarHBondContact O-N 3.43Å; H221-C223 PolarHBondContact O-N 2.9Å
224N92.7Very high92Very high130 Ų13034.5 Ų34.570%0.69520%0.198SC*.Hα-helixtrans-91.7-22.8-179.2-71.6-53.2000114.2D220 H221 F222D220-N224 PolarHBondContact O-N 3.3Å; D220-N224 PolarHBondContact O-ND2 3.27Å; H221-N224 PolarHBondContact O-N 2.7Å; H221-N224 VanDerWaalsContact O-N 3.15Å; F222-N224 PolarHBondContact O-N 2.81Å; F222-N224 VanDerWaalsContact O-N 3.1Å
225T92.8Very high91.9Very high42 Ų4234.6 Ų34.626%0.25820%0.199SC..Hα-helixtrans-119.2-19.8-17158.20000114.5H221 F222 Y227H221-T225 VanDerWaalsContact CE1-CG2 3.44Å; H221-T225 WeakPolarHBondContact CE1-CG2 2.97Å; H221-T225 WeakPolarHBondContact O-CB 2.81Å; H221-T225 PolarHBondContact O-N 2.82Å; H221-T225 PolarHBondContact O-OG1 2.92Å; F222-T225 PolarHBondContact O-N 3.3Å; F222-T225 VanDerWaalsContact O-N 3.17Å; T225-Y227 VanDerWaalsContact CB-CD2 3.45Å; T225-Y227 HydrophobicContact CG2-CD2 3.98Å; T225-Y227 HydrophobicContact CG2-CE2 3.9Å; T225-Y227 WeakPolarHBondContact O-CD1 3.22Å; T225-Y227 PolarHBondContact O-N 2.94Å; T225-Y227 WeakPolarHBondContact OG1-CD2 3.22Å; T225-Y227 PolarHBondContact OG1-N 3.46Å
226A92.9Very high91.6Very high74 Ų7431.9 Ų31.961%0.61218%0.184SC*.  trans5725.5-167.500000113.9F222 P228F222-A226 WeakPolarHBondContact O-CA 3.32Å; F222-A226 PolarHBondContact O-N 3.34Å; A226-P228 VanDerWaalsContact O-CD 3.31Å; A226-P228 WeakPolarHBondContact O-CD 3.33Å
227Y95.9Very high91Very high58 Ų5830.2 Ų30.223%0.22718%0.177CC..  trans-83106.8176-64.2-20.3000111.2Y167 N196 S198 D199 H221 F222 T225Y167-Y227 HydrophobicContact CD1-CE1 4.35Å; N196-Y227 WeakPolarHBondContact ND2-CB 3.41Å; N196-Y227 PolarHBondContact ND2-O 3.29Å; N196-Y227 VanDerWaalsContact ND2-O 3.13Å; N196-Y227 WeakPolarHBondContact OD1-CB 3.21Å; S198-Y227 VanDerWaalsContact CB-CG 3.48Å; D199-Y227 HydrophobicContact CB-CD2 4.02Å; D199-Y227 HydrophobicContact CB-CE2 3.69Å; D199-Y227 WeakPolarHBondContact OD2-CD2 3.23Å; D199-Y227 WeakPolarHBondContact OD2-CE2 3.46Å; H221-Y227 AromaticContact NE2-CD2 3.85Å; F222-Y227 WeakPolarHBondContact CD2-O 3.48Å; T225-Y227 VanDerWaalsContact CB-CD2 3.45Å; T225-Y227 HydrophobicContact CG2-CD2 3.98Å; T225-Y227 HydrophobicContact CG2-CE2 3.9Å; T225-Y227 WeakPolarHBondContact O-CD1 3.22Å; T225-Y227 PolarHBondContact O-N 2.94Å; T225-Y227 WeakPolarHBondContact OG1-CD2 3.22Å; T225-Y227 PolarHBondContact OG1-N 3.46Å
228P95.3Very high90Very high15 Ų1532.6 Ų32.610%0.09720%0.202CC..  trans-80.5-32-155.228.9-34.4000114.3H163 L166 F222 A226 S245 Y246 D247H163-P228 HydrophobicContact CB-CG 4.13Å; H163-P228 WeakPolarHBondContact NE2-CB 3.12Å; L166-P228 HydrophobicContact CD1-CG 3.9Å; F222-P228 HydrophobicContact CE2-CB 4.44Å; A226-P228 VanDerWaalsContact O-CD 3.31Å; A226-P228 WeakPolarHBondContact O-CD 3.33Å; P228-S245 WeakPolarHBondContact O-CA 3.34Å; P228-Y246 PolarHBondContact O-N 3.43Å; P228-D247 HydrophobicContact CB-CB 4.19Å
229L96.5Very high88.9Confident0 Ų043.5 Ų43.50%024%0.242CC..EExtended strand (participates in β ladder)trans-104.1133-170.2-60.6-173.9000112.1T161 H163 L166 L197 V243 V252T161-L229 HydrophobicContact CG2-CD1 3.99Å; H163-L229 HydrophobicContact CB-CD1 4.03Å; H163-L229 HydrophobicContact CB-CD2 4.41Å; H163-L229 HydrophobicContact CB-CG 4.12Å; L166-L229 HydrophobicContact CD1-CB 4.19Å; L166-L229 HydrophobicContact CD1-CD1 4.02Å; L166-L229 HydrophobicContact CD1-CG 4Å; L166-L229 HydrophobicContact CD2-CB 4.41Å; L166-L229 HydrophobicContact CD2-CD1 4.2Å; L197-L229 HydrophobicContact CB-CB 4.22Å; L197-L229 HydrophobicContact CD1-CB 3.99Å; L197-L229 HydrophobicContact CG-CB 4.42Å; L197-L229 PolarHBondContact N-O 3.39Å; L229-V243 HydrophobicContact CB-CG1 4.26Å; L229-V243 HydrophobicContact CD2-CG1 4.22Å; L229-V252 HydrophobicContact CD2-CG2 4.15Å
230A96.3Very high88.4Confident0 Ų043.4 Ų43.40%025%0.247CC..EExtended strand (participates in β ladder)trans-133.5139.2168.500000111.4W194 L195 V243 F244 Y246W194-A230 HydrophobicContact CB-CB 4.18Å; W194-A230 HydrophobicContact CE3-CB 4.22Å; L195-A230 CarbonylContact O-C 3.53Å; L195-A230 VanDerWaalsContact O-CA 3.23Å; L195-A230 WeakPolarHBondContact O-CA 3.44Å; A230-V243 WeakPolarHBondContact O-CA 3.48Å; A230-F244 PolarHBondContact N-O 2.79Å; A230-F244 PolarHBondContact O-N 2.86Å; A230-Y246 HydrophobicContact CB-CE2 3.75Å
231V94.7Very high87.8Confident0 Ų041.3 Ų41.30%024%0.241CC..EExtended strand (participates in β ladder)trans-102.7137.1176.964.90000110.4W194 L195 L197 L233 I236 D242 V243 L257 L261W194-V231 WeakPolarHBondContact CA-O 3.41Å; L195-V231 HydrophobicContact CB-CG1 3.83Å; L195-V231 HydrophobicContact CD2-CG1 4.07Å; L195-V231 HydrophobicContact CG-CG1 4.29Å; L195-V231 PolarHBondContact N-O 2.86Å; L195-V231 PolarHBondContact O-N 3.23Å; L197-V231 HydrophobicContact CD2-CB 4.11Å; L197-V231 HydrophobicContact CD2-CG1 3.6Å; L197-V231 HydrophobicContact CG-CB 4.42Å; L197-V231 HydrophobicContact CG-CG1 4.31Å; V231-L233 PolarHBondContact O-N 3.34Å; V231-I236 HydrophobicContact CG1-CD1 4.28Å; V231-I236 HydrophobicContact CG2-CD1 4.27Å; V231-I236 HydrophobicContact CG2-CG1 3.94Å; V231-D242 CarbonylContact C-O 3.32Å; V231-D242 VanDerWaalsContact CA-O 3.3Å; V231-D242 WeakPolarHBondContact CA-O 3.47Å; V231-D242 WeakPolarHBondContact CG2-O 3.44Å; V231-V243 HydrophobicContact CB-CG2 4.35Å; V231-V243 HydrophobicContact CG2-CG2 4.26Å; V231-L257 HydrophobicContact CB-CD1 4.46Å; V231-L257 HydrophobicContact CG2-CD1 4.29Å; V231-L261 HydrophobicContact CG1-CD2 4Å
232K92.4Very high87.4Confident2 Ų241.2 Ų41.21%0.00924%0.241CC..EExtended strand (participates in β ladder)trans-75115.8178.3-169.4178172.1-1620110.9W194 T235 D242 E275 K276W194-K232 HydrophobicContact CD2-CB 4.16Å; W194-K232 HydrophobicContact CD2-CG 4.43Å; W194-K232 HydrophobicContact CE3-CB 3.93Å; W194-K232 HydrophobicContact CH2-CB 3.85Å; W194-K232 HydrophobicContact CH2-CD 4.31Å; W194-K232 HydrophobicContact CH2-CG 4.38Å; W194-K232 HydrophobicContact CZ2-CB 4.06Å; W194-K232 HydrophobicContact CZ2-CD 3.96Å; W194-K232 HydrophobicContact CZ2-CG 4.1Å; W194-K232 HydrophobicContact CZ3-CB 3.76Å; K232-T235 HydrophobicContact CB-CG2 3.9Å; K232-T235 HydrophobicContact CD-CG2 3.71Å; K232-T235 HydrophobicContact CG-CG2 3.89Å; K232-T235 PolarHBondContact O-N 2.99Å; K232-T235 VanDerWaalsContact O-N 3.16Å; K232-T235 PolarHBondContact O-OG1 2.78Å; K232-D242 HydrophobicContact CB-CB 4.16Å; K232-D242 PolarHBondContact N-O 2.82Å; K232-E275 VanDerWaalsContact CE-OE2 3.3Å; K232-E275 WeakPolarHBondContact CE-OE2 3.39Å; K232-E275 IonicContact NZ-OE2 3.31Å; K232-K276 PolarHBondContact NZ-O 2.84Å
233L89.1Confident87.3Confident1 Ų139.4 Ų39.41%0.00523%0.233CC..THydrogen-bonded Turntrans-63.2136.1175.6-67.7173.8000110W180 L193 L195 I202 V231 I236W180-L233 HydrophobicContact CB-CD1 3.99Å; W180-L233 HydrophobicContact CD2-CB 4.23Å; W180-L233 HydrophobicContact CD2-CD1 3.85Å; W180-L233 HydrophobicContact CD2-CD2 4.3Å; W180-L233 HydrophobicContact CD2-CG 4.37Å; W180-L233 HydrophobicContact CE3-CB 3.82Å; W180-L233 HydrophobicContact CE3-CD1 4.24Å; W180-L233 HydrophobicContact CE3-CG 4.45Å; W180-L233 HydrophobicContact CG-CD1 3.73Å; W180-L233 HydrophobicContact CH2-CD2 4.49Å; W180-L233 HydrophobicContact CZ2-CD2 4.18Å; W180-L233 HydrophobicContact CZ3-CB 3.99Å; L193-L233 HydrophobicContact CB-CB 4.26Å; L193-L233 HydrophobicContact CB-CD1 3.98Å; L193-L233 WeakPolarHBondContact O-CB 3.4Å; L193-L233 PolarHBondContact O-N 3.38Å; L195-L233 HydrophobicContact CB-CD1 4.29Å; L195-L233 HydrophobicContact CB-CD2 3.85Å; L195-L233 HydrophobicContact CB-CG 3.97Å; L195-L233 HydrophobicContact CD2-CD2 4.3Å; I202-L233 HydrophobicContact CB-CD1 4.37Å; I202-L233 HydrophobicContact CD1-CD1 3.83Å; I202-L233 HydrophobicContact CG1-CD1 3.96Å; I202-L233 HydrophobicContact CG2-CD1 3.53Å; V231-L233 PolarHBondContact O-N 3.34Å; L233-I236 HydrophobicContact CD2-CD1 4.14Å
234G82.7Confident87.3Confident4 Ų436.5 Ų36.54%0.04121%0.21CC..THydrogen-bonded Turntrans92-15.2-172.700000114.9K273 T274 E275G234-K273 CarbonylContact O-C 2.89Å; G234-K273 WeakPolarHBondContact O-CA 3.21Å; G234-T274 WeakPolarHBondContact CA-OG1 3.3Å; G234-T274 PolarHBondContact O-N 3.28Å; G234-E275 PolarHBondContact O-N 3.47Å
235T81.3Confident87.4Confident4 Ų430.3 Ų30.33%0.02518%0.177CC..  trans-92.1-13.4173.169.60000113.7K232 S237 D242K232-T235 HydrophobicContact CB-CG2 3.9Å; K232-T235 HydrophobicContact CD-CG2 3.71Å; K232-T235 HydrophobicContact CG-CG2 3.89Å; K232-T235 PolarHBondContact O-N 2.99Å; K232-T235 VanDerWaalsContact O-N 3.16Å; K232-T235 PolarHBondContact O-OG1 2.78Å; T235-S237 PolarHBondContact O-N 3.32Å; T235-D242 HydrophobicContact CG2-CB 4.28Å; T235-D242 PolarHBondContact OG1-N 2.84Å
236I83.2Confident87.3Confident6 Ų629 Ų293%0.03117%0.168CC..  trans-66.7128.2-176.4-56.3171.2000110.4V231 L233 L261 I266 V268 M271 Q272V231-I236 HydrophobicContact CG1-CD1 4.28Å; V231-I236 HydrophobicContact CG2-CD1 4.27Å; V231-I236 HydrophobicContact CG2-CG1 3.94Å; L233-I236 HydrophobicContact CD2-CD1 4.14Å; I236-L261 HydrophobicContact CD1-CD1 4.33Å; I236-L261 HydrophobicContact CD1-CD2 3.94Å; I236-L261 HydrophobicContact CG1-CD1 4.46Å; I236-L261 HydrophobicContact CG2-CD1 3.75Å; I236-I266 HydrophobicContact CG2-CG2 4.39Å; I236-V268 HydrophobicContact CG2-CG1 3.6Å; I236-M271 HydrophobicContact CB-CB 4.45Å; I236-M271 HydrophobicContact CG2-CB 3.96Å; I236-M271 HydrophobicContact CG2-CG 3.95Å; I236-Q272 CarbonylContact O-C 3.6Å
237S77.4Confident87.2Confident23 Ų2330 Ų3016%0.16116%0.163CC..BIsolated β-bridgetrans-152175.9177.970.90000111.1T235 R239 G240 V268T235-S237 PolarHBondContact O-N 3.32Å; S237-R239 PolarHBondContact O-N 3.22Å; S237-R239 PolarHBondContact OG-N 2.81Å; S237-G240 PolarHBondContact N-O 2.93Å; S237-G240 PolarHBondContact O-N 3.44Å; S237-G240 VanDerWaalsContact O-O 3.11Å; S237-G240 PolarHBondContact OG-O 3.1Å; S237-V268 CarbonylContact C-O 3.52Å; S237-V268 WeakPolarHBondContact O-CG1 3.41Å
238A73.4Confident86.8Confident79 Ų7929.4 Ų29.465%0.65316%0.162SC*.THydrogen-bonded Turntrans-59.2-11.8172.200000114.5V268A238-V268 PolarHBondContact N-O 3.49Å
239R67.5Low86.3Confident229 Ų22933.1 Ų33.186%0.86418%0.181SC*.THydrogen-bonded Turntrans-96.50.2175.8-63.8-175.1-179.6179.80.1113.8S237S237-R239 PolarHBondContact O-N 3.22Å; S237-R239 PolarHBondContact OG-N 2.81Å
240G80.3Confident85.5Confident27 Ų2736 Ų3628%0.27820%0.196SC..BIsolated β-bridgetrans114.7-161.9-172.700000112.3S237S237-G240 PolarHBondContact N-O 2.93Å; S237-G240 PolarHBondContact O-N 3.44Å; S237-G240 VanDerWaalsContact O-O 3.11Å; S237-G240 PolarHBondContact OG-O 3.1Å
241G80.5Confident84.9Confident20 Ų2037 Ų3721%0.20620%0.201CC..  trans-158.7164.5176.900000110.4V243 L257G241-V243 PolarHBondContact O-N 2.93Å; G241-L257 VanDerWaalsContact N-CD2 3.33Å
242D85.6Confident84.5Confident20 Ų2037.2 Ų37.211%0.10720%0.203CC..  trans-76.5115.6-179-68.2-4.9000110.1V231 K232 T235 L251 S277 M278V231-D242 CarbonylContact C-O 3.32Å; V231-D242 VanDerWaalsContact CA-O 3.3Å; V231-D242 WeakPolarHBondContact CA-O 3.47Å; V231-D242 WeakPolarHBondContact CG2-O 3.44Å; K232-D242 HydrophobicContact CB-CB 4.16Å; K232-D242 PolarHBondContact N-O 2.82Å; T235-D242 HydrophobicContact CG2-CB 4.28Å; T235-D242 PolarHBondContact OG1-N 2.84Å; D242-L251 HydrophobicContact CB-CD2 4.43Å; D242-S277 VanDerWaalsContact CG-CB 3.44Å; D242-S277 WeakPolarHBondContact OD1-CB 3.33Å; D242-S277 VanDerWaalsContact OD2-C 3.24Å; D242-S277 WeakPolarHBondContact OD2-CA 3.34Å; D242-S277 WeakPolarHBondContact OD2-CB 3.36Å; D242-M278 PolarHBondContact OD2-N 3.02Å
243V91.9Very high84.3Confident1 Ų140.5 Ų40.51%0.00622%0.22CC..EExtended strand (participates in β ladder)trans-106.3130.5176.2-174.80000109L197 L229 A230 V231 G241 L251 V252 D254 L257L197-V243 HydrophobicContact CD1-CG1 4.22Å; L229-V243 HydrophobicContact CB-CG1 4.26Å; L229-V243 HydrophobicContact CD2-CG1 4.22Å; A230-V243 WeakPolarHBondContact O-CA 3.48Å; V231-V243 HydrophobicContact CB-CG2 4.35Å; V231-V243 HydrophobicContact CG2-CG2 4.26Å; G241-V243 PolarHBondContact O-N 2.93Å; V243-L251 WeakPolarHBondContact O-CA 3.2Å; V243-V252 HydrophobicContact CB-CG2 4.16Å; V243-V252 HydrophobicContact CG1-CG2 3.85Å; V243-V252 PolarHBondContact O-N 3.42Å; V243-D254 HydrophobicContact CB-CB 4.46Å; V243-D254 HydrophobicContact CG1-CB 4.37Å; V243-D254 HydrophobicContact CG2-CB 4.02Å; V243-L257 HydrophobicContact CG2-CD1 3.72Å; V243-L257 HydrophobicContact CG2-CD2 3.92Å; V243-L257 HydrophobicContact CG2-CG 4.38Å
244F92.2Very high84.3Confident31 Ų3140.8 Ų40.814%0.13622%0.222CC..EExtended strand (participates in β ladder)trans-109.5131.2172.7-168.4-92.7000109.1W194 A230 Y246 D249 D250 L251W194-F244 HydrophobicContact CE3-CB 4.15Å; W194-F244 HydrophobicContact CH2-CB 3.88Å; W194-F244 HydrophobicContact CZ3-CB 3.43Å; W194-F244 VanDerWaalsContact CZ3-CB 3.43Å; A230-F244 PolarHBondContact N-O 2.79Å; A230-F244 PolarHBondContact O-N 2.86Å; F244-Y246 AromaticContact CD1-CD1 3.77Å; F244-Y246 HydrophobicContact CD1-CD1 3.77Å; F244-Y246 HydrophobicContact CD1-CD2 4.46Å; F244-Y246 AromaticContact CD1-CE1 3.73Å; F244-Y246 HydrophobicContact CD1-CE1 3.73Å; F244-Y246 HydrophobicContact CD1-CE2 4.46Å; F244-Y246 HydrophobicContact CD1-CG 4.11Å; F244-Y246 AromaticContact CE1-CD1 3.62Å; F244-Y246 HydrophobicContact CE1-CD1 3.62Å; F244-Y246 AromaticContact CE1-CE1 3.8Å; F244-Y246 HydrophobicContact CE1-CE1 3.8Å; F244-Y246 HydrophobicContact CE1-CG 4.25Å; F244-D249 WeakPolarHBondContact CZ-OD1 3.1Å; F244-D250 WeakPolarHBondContact CD2-O 3.27Å; F244-L251 HydrophobicContact CB-CD2 4.37Å; F244-L251 HydrophobicContact CD2-CD2 4.08Å; F244-L251 HydrophobicContact CD2-CG 4.23Å
245S93.1Very high84.7Confident0 Ų044 Ų440%024%0.242CC..EExtended strand (participates in β ladder)trans-98.2113.9171.3177.60000108.6P228 D247 E248 D249 D250P228-S245 WeakPolarHBondContact O-CA 3.34Å; S245-D247 VanDerWaalsContact C-N 3.25Å; S245-D247 PolarHBondContact O-N 2.85Å; S245-E248 WeakPolarHBondContact OG-CG 3.45Å; S245-E248 PolarHBondContact OG-N 3.29Å; S245-E248 PolarHBondContact OG-OE2 3.3Å; S245-D249 VanDerWaalsContact O-CA 3.31Å; S245-D249 WeakPolarHBondContact O-CA 3.42Å; S245-D249 PolarHBondContact O-N 3.03Å; S245-D250 PolarHBondContact N-O 2.92Å; S245-D250 PolarHBondContact O-N 2.8Å
246Y91.7Very high85.1Confident16 Ų1647.2 Ų47.26%0.06326%0.259CS..THydrogen-bonded Turntrans-70.8-23.2176.1-72.4-69.3000113.1S218 V219 F222 P228 A230 F244S218-Y246 WeakPolarHBondContact CB-OH 3.11Å; S218-Y246 PolarHBondContact OG-OH 3.42Å; V219-Y246 HydrophobicContact CB-CD1 4.38Å; V219-Y246 HydrophobicContact CB-CE1 4.05Å; V219-Y246 HydrophobicContact CG2-CD1 4.39Å; F222-Y246 HydrophobicContact CB-CD1 4.47Å; F222-Y246 HydrophobicContact CB-CD2 3.85Å; F222-Y246 HydrophobicContact CB-CG 3.81Å; F222-Y246 VanDerWaalsContact CD1-CB 3.45Å; F222-Y246 HydrophobicContact CD1-CG 4.14Å; F222-Y246 HydrophobicContact CD2-CG 4.34Å; F222-Y246 HydrophobicContact CG-CD2 4.21Å; F222-Y246 AromaticContact CG-CG 3.84Å; F222-Y246 HydrophobicContact CG-CG 3.84Å; P228-Y246 PolarHBondContact O-N 3.43Å; A230-Y246 HydrophobicContact CB-CE2 3.75Å; F244-Y246 AromaticContact CD1-CD1 3.77Å; F244-Y246 HydrophobicContact CD1-CD1 3.77Å; F244-Y246 HydrophobicContact CD1-CD2 4.46Å; F244-Y246 AromaticContact CD1-CE1 3.73Å; F244-Y246 HydrophobicContact CD1-CE1 3.73Å; F244-Y246 HydrophobicContact CD1-CE2 4.46Å; F244-Y246 HydrophobicContact CD1-CG 4.11Å; F244-Y246 AromaticContact CE1-CD1 3.62Å; F244-Y246 HydrophobicContact CE1-CD1 3.62Å; F244-Y246 AromaticContact CE1-CE1 3.8Å; F244-Y246 HydrophobicContact CE1-CE1 3.8Å; F244-Y246 HydrophobicContact CE1-CG 4.25Å
247D89.9Confident85.5Confident95 Ų9547.4 Ų47.451%0.50826%0.26SS..THydrogen-bonded Turntrans-77.8-39.2175.8-15944.8000111.3H163 F222 P228 S245 D249H163-D247 IonicContact CE1-OD2 3.57Å; H163-D247 PolarHBondContact CE1-OD2 2.97Å; H163-D247 VanDerWaalsContact CE1-OD2 3.24Å; H163-D247 WeakPolarHBondContact NE2-CB 3.34Å; H163-D247 IonicContact NE2-OD2 2.65Å; H163-D247 PolarHBondContact NE2-OD2 3.28Å; F222-D247 HydrophobicContact CZ-CB 4.35Å; P228-D247 HydrophobicContact CB-CB 4.19Å; S245-D247 VanDerWaalsContact C-N 3.25Å; S245-D247 PolarHBondContact O-N 2.85Å; D247-D249 VanDerWaalsContact C-N 3.34Å
248E87.6Confident86.2Confident45 Ų4551 Ų5121%0.2127%0.274CS..THydrogen-bonded Turntrans-85.6-8.8176.7-59176.488.100112.8K159 T161 I162 S245 D250K159-E248 IonicContact NZ-OE1 3.16Å; K159-E248 PolarHBondContact NZ-OE1 2.92Å; T161-E248 WeakPolarHBondContact CA-OE2 3.42Å; T161-E248 WeakPolarHBondContact CB-OE2 3.32Å; T161-E248 PolarHBondContact OG1-OE2 3.01Å; I162-E248 HydrophobicContact CD1-CG 3.91Å; I162-E248 HydrophobicContact CG1-CG 3.97Å; I162-E248 PolarHBondContact N-OE2 2.86Å; I162-E248 VanDerWaalsContact N-OE2 3.11Å; S245-E248 WeakPolarHBondContact OG-CG 3.45Å; S245-E248 PolarHBondContact OG-N 3.29Å; S245-E248 PolarHBondContact OG-OE2 3.3Å; E248-D250 PolarHBondContact O-N 3.47Å
249D84.6Confident87Confident93 Ų9353.9 Ų53.950%0.49727%0.272SS..THydrogen-bonded Turntrans46.237.9-171.5-158.534.8000113.8R206 F244 S245 D247R206-D249 IonicContact CZ-OD1 2.68Å; R206-D249 IonicContact NH1-OD1 2.73Å; R206-D249 PolarHBondContact NH1-OD1 2.74Å; R206-D249 IonicContact NH1-OD2 2.72Å; R206-D249 IonicContact NH2-OD1 2.58Å; R206-D249 PolarHBondContact NH2-OD1 3.29Å; F244-D249 WeakPolarHBondContact CZ-OD1 3.1Å; S245-D249 VanDerWaalsContact O-CA 3.31Å; S245-D249 WeakPolarHBondContact O-CA 3.42Å; S245-D249 PolarHBondContact O-N 3.03Å; D247-D249 VanDerWaalsContact C-N 3.34Å
250D81.3Confident88.3Confident60 Ų6043.3 Ų43.332%0.32123%0.232SC..EExtended strand (participates in β ladder)trans-144.5162.7-177.2-148.6-13000112.5F244 S245 E248 R578F244-D250 WeakPolarHBondContact CD2-O 3.27Å; S245-D250 PolarHBondContact N-O 2.92Å; S245-D250 PolarHBondContact O-N 2.8Å; E248-D250 PolarHBondContact O-N 3.47Å; D250-R578 IonicContact OD1-NH1 3.4Å; D250-R578 IonicContact OD2-NH1 3.48Å
251L82.6Confident88.9Confident21 Ų2142 Ų4211%0.1122%0.219CC..EExtended strand (participates in β ladder)trans-72.4132.3165.2-72.4167.4000109.1L158 W194 D242 V243 F244 M278 I279L158-L251 HydrophobicContact CD2-CB 3.8Å; W194-L251 HydrophobicContact CH2-CD2 4.45Å; D242-L251 HydrophobicContact CB-CD2 4.43Å; V243-L251 WeakPolarHBondContact O-CA 3.2Å; F244-L251 HydrophobicContact CB-CD2 4.37Å; F244-L251 HydrophobicContact CD2-CD2 4.08Å; F244-L251 HydrophobicContact CD2-CG 4.23Å; L251-M278 HydrophobicContact CD1-CB 3.91Å; L251-M278 HydrophobicContact CD1-CG 4.1Å; L251-M278 HydrophobicContact CD2-CB 4.39Å; L251-I279 HydrophobicContact CD1-CD1 4.39Å; L251-I279 HydrophobicContact CD1-CG1 3.87Å
252V87Confident89.5Confident4 Ų446.9 Ų46.92%0.02424%0.238CC..EExtended strand (participates in β ladder)trans-129.5153.1-173.6-65.70000110.4K159 L229 V243K159-V252 WeakPolarHBondContact O-CA 3.3Å; L229-V252 HydrophobicContact CD2-CG2 4.15Å; V243-V252 HydrophobicContact CB-CG2 4.16Å; V243-V252 HydrophobicContact CG1-CG2 3.85Å; V243-V252 PolarHBondContact O-N 3.42Å
253N86.9Confident89.9Confident71 Ų7148.6 Ų48.638%0.3825%0.245SC..BIsolated β-bridgetrans-82.9131.8164-175.242.9000108.5L158 K159 D160 T161 P255L158-N253 HydrophobicContact CB-CB 4Å; K159-N253 PolarHBondContact O-N 3.3Å; D160-N253 CarbonylContact C-O 3.54Å; D160-N253 WeakPolarHBondContact CA-O 3.4Å; D160-N253 WeakPolarHBondContact OD1-CB 3.44Å; D160-N253 PolarHBondContact OD1-ND2 3.48Å; T161-N253 PolarHBondContact N-O 2.93Å; N253-P255 WeakPolarHBondContact O-CD 3.05Å
254D90.7Very high89.9Confident7 Ų748.5 Ų48.54%0.03725%0.245CC..  trans-108.2101.3169.81748.2000108.4V243 L256 L257 H260V243-D254 HydrophobicContact CB-CB 4.46Å; V243-D254 HydrophobicContact CG1-CB 4.37Å; V243-D254 HydrophobicContact CG2-CB 4.02Å; D254-L256 PolarHBondContact O-N 3.49Å; D254-L256 WeakPolarHBondContact OD1-CA 2.85Å; D254-L256 PolarHBondContact OD1-N 2.94Å; D254-L257 HydrophobicContact CB-CB 4.07Å; D254-L257 VanDerWaalsContact O-CB 3.31Å; D254-L257 WeakPolarHBondContact O-CB 3.39Å; D254-L257 PolarHBondContact O-N 3.39Å; D254-L257 VanDerWaalsContact O-N 3.09Å; D254-L257 PolarHBondContact OD1-N 3.06Å; D254-L257 WeakPolarHBondContact OD2-CA 3.12Å; D254-L257 PolarHBondContact OD2-N 3.41Å; D254-H260 IonicContact OD1-CE1 3.12Å; D254-H260 IonicContact OD1-ND1 3.9Å; D254-H260 PolarHBondContact OD1-ND1 3.18Å; D254-H260 IonicContact OD2-CE1 2.95Å; D254-H260 IonicContact OD2-CG 3.7Å; D254-H260 IonicContact OD2-ND1 2.76Å; D254-H260 PolarHBondContact OD2-ND1 3.35Å
255P89.4Confident89.8Confident72 Ų7249 Ų4947%0.46826%0.258SS..THydrogen-bonded Turntrans-59.2-18.7179.4-24.434.3000114D160 N253D160-P255 HydrophobicContact CB-CG 4.27Å; N253-P255 WeakPolarHBondContact O-CD 3.05Å
256L91.5Very high89.6Confident71 Ų7149 Ų4937%0.37226%0.258SS..THydrogen-bonded Turntrans-108.715.4-178.2-61.2-179.4000112.7T164 D254 E258 K259 H260T164-L256 WeakPolarHBondContact O-CD1 3.48Å; D254-L256 PolarHBondContact O-N 3.49Å; D254-L256 WeakPolarHBondContact OD1-CA 2.85Å; D254-L256 PolarHBondContact OD1-N 2.94Å; L256-E258 VanDerWaalsContact C-N 3.29Å; L256-E258 PolarHBondContact O-N 3.41Å; L256-K259 WeakPolarHBondContact O-CA 3.35Å; L256-K259 WeakPolarHBondContact O-CB 3.26Å; L256-K259 PolarHBondContact O-N 3.21Å; L256-H260 PolarHBondContact O-N 2.81Å
257L91.4Very high89.3Confident11 Ų1152.2 Ų52.26%0.05828%0.276CS..Hα-helixtrans-54-41.2-175.6-176.559.6000113.4L197 V231 G241 V243 D254 K259 H260 L261L197-L257 HydrophobicContact CD1-CD1 3.95Å; L197-L257 HydrophobicContact CD2-CD1 4.37Å; V231-L257 HydrophobicContact CB-CD1 4.46Å; V231-L257 HydrophobicContact CG2-CD1 4.29Å; G241-L257 VanDerWaalsContact N-CD2 3.33Å; V243-L257 HydrophobicContact CG2-CD1 3.72Å; V243-L257 HydrophobicContact CG2-CD2 3.92Å; V243-L257 HydrophobicContact CG2-CG 4.38Å; D254-L257 HydrophobicContact CB-CB 4.07Å; D254-L257 VanDerWaalsContact O-CB 3.31Å; D254-L257 WeakPolarHBondContact O-CB 3.39Å; D254-L257 PolarHBondContact O-N 3.39Å; D254-L257 VanDerWaalsContact O-N 3.09Å; D254-L257 PolarHBondContact OD1-N 3.06Å; D254-L257 WeakPolarHBondContact OD2-CA 3.12Å; D254-L257 PolarHBondContact OD2-N 3.41Å; L257-K259 VanDerWaalsContact C-N 3.3Å; L257-K259 PolarHBondContact O-N 3.42Å; L257-H260 PolarHBondContact O-N 2.87Å; L257-L261 HydrophobicContact CD1-CD1 3.97Å; L257-L261 HydrophobicContact CD1-CG 3.93Å; L257-L261 HydrophobicContact CD2-CD1 4.44Å; L257-L261 HydrophobicContact CG-CD1 3.82Å; L257-L261 HydrophobicContact CG-CG 4.22Å; L257-L261 WeakPolarHBondContact O-CB 3.29Å; L257-L261 VanDerWaalsContact O-CG 3.27Å; L257-L261 WeakPolarHBondContact O-CG 3.49Å; L257-L261 PolarHBondContact O-N 2.84Å
258E90.4Very high88.7Confident97 Ų9748.2 Ų48.245%0.45326%0.255SS..Hα-helixtrans-58.3-43.5176.5176168.4-160.400111.2L256 M262 V268L256-E258 VanDerWaalsContact C-N 3.29Å; L256-E258 PolarHBondContact O-N 3.41Å; E258-M262 HydrophobicContact CG-SD 4.49Å; E258-M262 WeakPolarHBondContact O-CB 3.19Å; E258-M262 VanDerWaalsContact O-CG 3.31Å; E258-M262 WeakPolarHBondContact O-CG 3.47Å; E258-M262 PolarHBondContact O-N 2.66Å; E258-V268 HydrophobicContact CB-CG2 3.95Å; E258-V268 HydrophobicContact CG-CG2 3.56Å
259K91.7Very high88.2Confident140 Ų14053.6 Ų53.661%0.60928%0.278SS*.Hα-helixtrans-67-43.9177.4-174.8-172173.9-164.80111.2L256 L257 L261 M262 H263L256-K259 WeakPolarHBondContact O-CA 3.35Å; L256-K259 WeakPolarHBondContact O-CB 3.26Å; L256-K259 PolarHBondContact O-N 3.21Å; L257-K259 VanDerWaalsContact C-N 3.3Å; L257-K259 PolarHBondContact O-N 3.42Å; K259-L261 VanDerWaalsContact C-N 3.34Å; K259-L261 PolarHBondContact O-N 3.09Å; K259-M262 PolarHBondContact O-N 2.86Å; K259-H263 PolarHBondContact O-N 3.06Å
260H94.5Very high87.9Confident7 Ų753 Ų533%0.03229%0.286CS..Hα-helixtrans-64.5-38179.2-64.4153.1000112.3Q168 L197 D254 L256 L257 H263 F264Q168-H260 PolarHBondContact NE2-O 2.78Å; L197-H260 HydrophobicContact CD1-CB 4.43Å; L197-H260 HydrophobicContact CD2-CB 4.37Å; D254-H260 IonicContact OD1-CE1 3.12Å; D254-H260 IonicContact OD1-ND1 3.9Å; D254-H260 PolarHBondContact OD1-ND1 3.18Å; D254-H260 IonicContact OD2-CE1 2.95Å; D254-H260 IonicContact OD2-CG 3.7Å; D254-H260 IonicContact OD2-ND1 2.76Å; D254-H260 PolarHBondContact OD2-ND1 3.35Å; L256-H260 PolarHBondContact O-N 2.81Å; L257-H260 PolarHBondContact O-N 2.87Å; H260-H263 WeakPolarHBondContact O-CB 3.29Å; H260-H263 PolarHBondContact O-N 3.13Å; H260-F264 VanDerWaalsContact O-CD2 3.29Å; H260-F264 WeakPolarHBondContact O-CD2 3.25Å
261L93.6Very high87.5Confident0 Ų051.4 Ų51.40%028%0.277CS..Hα-helixtrans-71.5-38176.4-73.4176.1000112.6L195 L197 V231 I236 L257 K259 H263 F264 G265 I266 V268L195-L261 HydrophobicContact CD2-CD2 4.27Å; L197-L261 HydrophobicContact CD2-CD2 4.17Å; V231-L261 HydrophobicContact CG1-CD2 4Å; I236-L261 HydrophobicContact CD1-CD1 4.33Å; I236-L261 HydrophobicContact CD1-CD2 3.94Å; I236-L261 HydrophobicContact CG1-CD1 4.46Å; I236-L261 HydrophobicContact CG2-CD1 3.75Å; L257-L261 HydrophobicContact CD1-CD1 3.97Å; L257-L261 HydrophobicContact CD1-CG 3.93Å; L257-L261 HydrophobicContact CD2-CD1 4.44Å; L257-L261 HydrophobicContact CG-CD1 3.82Å; L257-L261 HydrophobicContact CG-CG 4.22Å; L257-L261 WeakPolarHBondContact O-CB 3.29Å; L257-L261 VanDerWaalsContact O-CG 3.27Å; L257-L261 WeakPolarHBondContact O-CG 3.49Å; L257-L261 PolarHBondContact O-N 2.84Å; K259-L261 VanDerWaalsContact C-N 3.34Å; K259-L261 PolarHBondContact O-N 3.09Å; L261-H263 PolarHBondContact O-N 3.46Å; L261-F264 PolarHBondContact O-N 3.2Å; L261-G265 PolarHBondContact O-N 3.1Å; L261-I266 CarbonylContact C-O 3.55Å; L261-I266 HydrophobicContact CB-CB 4.1Å; L261-I266 HydrophobicContact CB-CG2 4.19Å; L261-I266 HydrophobicContact CD1-CG2 4.47Å; L261-I266 HydrophobicContact CD2-CB 4.43Å; L261-I266 HydrophobicContact CD2-CD1 4Å; L261-I266 HydrophobicContact CD2-CG2 4.28Å; L261-I266 PolarHBondContact O-N 3.21Å; L261-I266 VanDerWaalsContact O-N 3.1Å; L261-V268 HydrophobicContact CD1-CG1 3.65Å
262M92.1Very high87Confident122 Ų12258.2 Ų58.260%0.60131%0.308SS*.Hα-helixtrans-58.5-32.4175.1-82.7-178.368.700112.6E258 K259 F264 G265E258-M262 HydrophobicContact CG-SD 4.49Å; E258-M262 WeakPolarHBondContact O-CB 3.19Å; E258-M262 VanDerWaalsContact O-CG 3.31Å; E258-M262 WeakPolarHBondContact O-CG 3.47Å; E258-M262 PolarHBondContact O-N 2.66Å; K259-M262 PolarHBondContact O-N 2.86Å; M262-F264 PolarHBondContact O-N 3.39Å; M262-G265 PolarHBondContact O-N 3.26Å
263H93Very high86.3Confident56 Ų5662 Ų6226%0.25932%0.324SS..Hα-helixtrans-54.9-37.5174.5-171.768.7000112V169 P172 K259 H260 L261 G265V169-H263 PolarHBondContact O-CE1 3.4Å; V169-H263 PolarHBondContact O-NE2 2.87Å; P172-H263 WeakPolarHBondContact CG-NE2 3.45Å; P172-H263 WeakPolarHBondContact CG-O 3.44Å; K259-H263 PolarHBondContact O-N 3.06Å; H260-H263 WeakPolarHBondContact O-CB 3.29Å; H260-H263 PolarHBondContact O-N 3.13Å; L261-H263 PolarHBondContact O-N 3.46Å; H263-G265 VanDerWaalsContact C-N 3.35Å
264F93.9Very high85.7Confident0 Ų063.8 Ų63.80%034%0.338CS..THydrogen-bonded Turntrans-916.9179.2-58.6-68.5000114P172 I175 L195 L197 H260 L261 M262 I266P172-F264 HydrophobicContact CB-CD1 3.67Å; P172-F264 HydrophobicContact CB-CE1 3.74Å; I175-F264 HydrophobicContact CB-CB 4.44Å; I175-F264 HydrophobicContact CG1-CB 3.89Å; I175-F264 HydrophobicContact CG1-CG 4.46Å; I175-F264 PolarHBondContact N-O 3.14Å; L195-F264 HydrophobicContact CD2-CD2 4.4Å; L197-F264 VanDerWaalsContact O-CE2 3.32Å; L197-F264 WeakPolarHBondContact O-CE2 3.42Å; L197-F264 WeakPolarHBondContact O-CZ 3.43Å; H260-F264 VanDerWaalsContact O-CD2 3.29Å; H260-F264 WeakPolarHBondContact O-CD2 3.25Å; L261-F264 PolarHBondContact O-N 3.2Å; M262-F264 PolarHBondContact O-N 3.39Å; F264-I266 HydrophobicContact CB-CD1 4.37Å; F264-I266 HydrophobicContact CB-CG1 4.49Å
265G90Very high84.4Confident40 Ų4066.2 Ų66.241%0.41235%0.349SS..THydrogen-bonded Turntrans78.417.4-177.500000115L261 M262 H263L261-G265 PolarHBondContact O-N 3.1Å; M262-G265 PolarHBondContact O-N 3.26Å; H263-G265 VanDerWaalsContact C-N 3.35Å
266I88.5Confident82.8Confident2 Ų267.1 Ų67.11%0.0135%0.345CS..  trans-93.4110.5-179.8-63.3171.2000109.1I175 L195 I236 L261 F264 M271I175-I266 HydrophobicContact CB-CD1 4Å; I175-I266 HydrophobicContact CB-CG1 4.19Å; I175-I266 HydrophobicContact CG2-CD1 3.97Å; I175-I266 HydrophobicContact CG2-CG1 4.47Å; L195-I266 HydrophobicContact CD2-CD1 3.62Å; I236-I266 HydrophobicContact CG2-CG2 4.39Å; L261-I266 CarbonylContact C-O 3.55Å; L261-I266 HydrophobicContact CB-CB 4.1Å; L261-I266 HydrophobicContact CB-CG2 4.19Å; L261-I266 HydrophobicContact CD1-CG2 4.47Å; L261-I266 HydrophobicContact CD2-CB 4.43Å; L261-I266 HydrophobicContact CD2-CD1 4Å; L261-I266 HydrophobicContact CD2-CG2 4.28Å; L261-I266 PolarHBondContact O-N 3.21Å; L261-I266 VanDerWaalsContact O-N 3.1Å; F264-I266 HydrophobicContact CB-CD1 4.37Å; F264-I266 HydrophobicContact CB-CG1 4.49Å; I266-M271 HydrophobicContact CG2-CE 3.77Å; I266-M271 HydrophobicContact CG2-CG 4Å
267D84.1Confident81.2Confident82 Ų8264.2 Ų64.244%0.43933%0.331SS..  trans-86.5108.8170-176.1-7.3000110.1K269 A270 M271D267-K269 PolarHBondContact O-N 2.77Å; D267-K269 VanDerWaalsContact O-N 3.15Å; D267-K269 WeakPolarHBondContact OD1-CB 3.23Å; D267-K269 PolarHBondContact OD1-N 2.96Å; D267-A270 HydrophobicContact CB-CB 4.22Å; D267-A270 PolarHBondContact O-N 3.27Å; D267-M271 WeakPolarHBondContact O-CG 3.29Å; D267-M271 PolarHBondContact O-N 3.38Å
268V79Confident79.7Confident11 Ų1164.9 Ų64.97%0.06733%0.334CS..THydrogen-bonded Turntrans-56.9-26.7178.2-103.30000113.3I236 S237 A238 E258 L261 A270 M271I236-V268 HydrophobicContact CG2-CG1 3.6Å; S237-V268 CarbonylContact C-O 3.52Å; S237-V268 WeakPolarHBondContact O-CG1 3.41Å; A238-V268 PolarHBondContact N-O 3.49Å; E258-V268 HydrophobicContact CB-CG2 3.95Å; E258-V268 HydrophobicContact CG-CG2 3.56Å; L261-V268 HydrophobicContact CD1-CG1 3.65Å; V268-A270 VanDerWaalsContact C-N 3.32Å; V268-M271 PolarHBondContact O-N 2.91Å
269K76.9Confident77.6Confident159 Ų15962.1 Ų62.169%0.69132%0.322SS*.THydrogen-bonded Turntrans-75-25.2178.1-62.5176.4-175.6168.40112.4D267D267-K269 PolarHBondContact O-N 2.77Å; D267-K269 VanDerWaalsContact O-N 3.15Å; D267-K269 WeakPolarHBondContact OD1-CB 3.23Å; D267-K269 PolarHBondContact OD1-N 2.96Å
270A76.8Confident75.8Confident79 Ų7959 Ų5965%0.65331%0.31SS*.THydrogen-bonded Turntrans-87.4-15.7175.500000112.7D267 V268D267-A270 HydrophobicContact CB-CB 4.22Å; D267-A270 PolarHBondContact O-N 3.27Å; V268-A270 VanDerWaalsContact C-N 3.32Å
271M74.6Confident73.9Confident27 Ų2762 Ų6213%0.13333%0.326CS..  trans-82.9142.1179.7-67.6-67.316400112P177 I236 I266 D267 V268P177-M271 HydrophobicContact CB-CE 3.71Å; P177-M271 HydrophobicContact CB-SD 4.43Å; I236-M271 HydrophobicContact CB-CB 4.45Å; I236-M271 HydrophobicContact CG2-CB 3.96Å; I236-M271 HydrophobicContact CG2-CG 3.95Å; I266-M271 HydrophobicContact CG2-CE 3.77Å; I266-M271 HydrophobicContact CG2-CG 4Å; D267-M271 WeakPolarHBondContact O-CG 3.29Å; D267-M271 PolarHBondContact O-N 3.38Å; V268-M271 PolarHBondContact O-N 2.91Å
272Q70.8Confident71.9Confident165 Ų16567.1 Ų67.177%0.77135%0.35SS*.  trans-120138.7169.8-66.8-175.8-600108.6I236 T274I236-Q272 CarbonylContact O-C 3.6Å; Q272-T274 PolarHBondContact O-N 2.64Å; Q272-T274 VanDerWaalsContact O-N 3.14Å
273K72.5Confident69.5Low82 Ų8263.7 Ų63.736%0.35733%0.334SS..  trans-61.7114.6174.9-176.8172.8-175.5173.40109.4G234 E275 S277 E280G234-K273 CarbonylContact O-C 2.89Å; G234-K273 WeakPolarHBondContact O-CA 3.21Å; K273-E275 WeakPolarHBondContact CE-O 3.23Å; K273-E275 WeakPolarHBondContact CG-O 3.38Å; K273-S277 PolarHBondContact NZ-OG 3.49Å; K273-E280 WeakPolarHBondContact CE-OE2 2.97Å; K273-E280 IonicContact NZ-OE1 3.8Å; K273-E280 PolarHBondContact NZ-OE1 2.76Å; K273-E280 IonicContact NZ-OE2 3.8Å; K273-E280 PolarHBondContact NZ-OE2 2.88Å
274T73.6Confident67.4Low110 Ų11062.9 Ų62.968%0.67533%0.331SS*.  trans-108.2-20.9179.253.30000113G234 Q272G234-T274 WeakPolarHBondContact CA-OG1 3.3Å; G234-T274 PolarHBondContact O-N 3.28Å; Q272-T274 PolarHBondContact O-N 2.64Å; Q272-T274 VanDerWaalsContact O-N 3.14Å
275E63.6Low65.3Low58 Ų5867.5 Ų67.527%0.27135%0.349SS..SBendtrans-114.6152174.6-69.6-164.6-177.700111.2K232 G234 K273K232-E275 VanDerWaalsContact CE-OE2 3.3Å; K232-E275 WeakPolarHBondContact CE-OE2 3.39Å; K232-E275 IonicContact NZ-OE2 3.31Å; G234-E275 PolarHBondContact O-N 3.47Å; K273-E275 WeakPolarHBondContact CE-O 3.23Å; K273-E275 WeakPolarHBondContact CG-O 3.38Å
276K55.7Low63.2Low90 Ų9067.8 Ų67.839%0.39134%0.341SS..  trans-65.1139.9170-72.3-179.7-178.71770109.9K232 E280 L281 D284K232-K276 PolarHBondContact NZ-O 2.84Å; K276-E280 VanDerWaalsContact CA-OE2 3.28Å; K276-E280 WeakPolarHBondContact CA-OE2 3.23Å; K276-E280 HydrophobicContact CB-CB 3.98Å; K276-E280 HydrophobicContact CG-CB 4.46Å; K276-L281 HydrophobicContact CB-CD1 4.45Å; K276-L281 HydrophobicContact CB-CD2 3.98Å; K276-L281 HydrophobicContact CB-CG 3.73Å; K276-L281 HydrophobicContact CD-CD2 4.25Å; K276-D284 IonicContact NZ-OD2 2.81Å; K276-D284 PolarHBondContact NZ-OD2 3.32Å
277S58.5Low61.3Low11 Ų1170.9 Ų70.98%0.07736%0.356CS..  trans-60.1158.7171.149.60000110.5D242 K273 I279 E280 L281D242-S277 VanDerWaalsContact CG-CB 3.44Å; D242-S277 WeakPolarHBondContact OD1-CB 3.33Å; D242-S277 VanDerWaalsContact OD2-C 3.24Å; D242-S277 WeakPolarHBondContact OD2-CA 3.34Å; D242-S277 WeakPolarHBondContact OD2-CB 3.36Å; K273-S277 PolarHBondContact NZ-OG 3.49Å; S277-I279 VanDerWaalsContact C-N 3.25Å; S277-I279 PolarHBondContact O-N 3.01Å; S277-E280 PolarHBondContact N-OE2 2.66Å; S277-E280 CarbonylContact O-C 3.58Å; S277-E280 WeakPolarHBondContact O-CB 3.18Å; S277-E280 PolarHBondContact O-N 3.36Å; S277-E280 VanDerWaalsContact O-N 3.1Å; S277-E280 VanDerWaalsContact OG-CB 3.26Å; S277-E280 WeakPolarHBondContact OG-CB 3.36Å; S277-E280 WeakPolarHBondContact OG-CG 3.04Å; S277-E280 PolarHBondContact OG-N 3.38Å; S277-E280 PolarHBondContact OG-OE2 2.84Å; S277-L281 PolarHBondContact O-N 2.82Å
278M59Low59.8Low25 Ų2571.7 Ų71.712%0.12336%0.356CS..Hα-helixtrans-57.8-44.3176.2-172.56072.700110.4W194 D242 L251 E280 L281 E282W194-M278 HydrophobicContact CH2-CE 4.33Å; W194-M278 HydrophobicContact CZ2-CE 3.62Å; D242-M278 PolarHBondContact OD2-N 3.02Å; L251-M278 HydrophobicContact CD1-CB 3.91Å; L251-M278 HydrophobicContact CD1-CG 4.1Å; L251-M278 HydrophobicContact CD2-CB 4.39Å; M278-E280 PolarHBondContact O-N 3.22Å; M278-L281 PolarHBondContact O-N 2.87Å; M278-E282 PolarHBondContact O-N 3.44Å
279I47.9Very low58.6Low39 Ų3974.1 Ų74.120%0.236%0.364CS..Hα-helixtrans-58-50.7171.7-63.7173.2000109.8L158 L251 S277 L281 E282 L283L158-I279 HydrophobicContact CD2-CD1 4.12Å; L251-I279 HydrophobicContact CD1-CD1 4.39Å; L251-I279 HydrophobicContact CD1-CG1 3.87Å; S277-I279 VanDerWaalsContact C-N 3.25Å; S277-I279 PolarHBondContact O-N 3.01Å; I279-L281 VanDerWaalsContact C-N 3.27Å; I279-L281 PolarHBondContact O-N 2.93Å; I279-E282 PolarHBondContact O-N 2.96Å; I279-L283 HydrophobicContact CG2-CD1 3.64Å; I279-L283 HydrophobicContact CG2-CG 3.86Å; I279-L283 WeakPolarHBondContact O-CB 3.1Å; I279-L283 WeakPolarHBondContact O-CG 3.25Å; I279-L283 PolarHBondContact O-N 3.3Å
280E52.8Low57.6Low74 Ų7467.1 Ų67.135%0.34633%0.333SS..Hα-helixtrans-59.9-33.4178-80.6166.6-173.800113.5K273 K276 S277 M278 D284K273-E280 WeakPolarHBondContact CE-OE2 2.97Å; K273-E280 IonicContact NZ-OE1 3.8Å; K273-E280 PolarHBondContact NZ-OE1 2.76Å; K273-E280 IonicContact NZ-OE2 3.8Å; K273-E280 PolarHBondContact NZ-OE2 2.88Å; K276-E280 VanDerWaalsContact CA-OE2 3.28Å; K276-E280 WeakPolarHBondContact CA-OE2 3.23Å; K276-E280 HydrophobicContact CB-CB 3.98Å; K276-E280 HydrophobicContact CG-CB 4.46Å; S277-E280 PolarHBondContact N-OE2 2.66Å; S277-E280 CarbonylContact O-C 3.58Å; S277-E280 WeakPolarHBondContact O-CB 3.18Å; S277-E280 PolarHBondContact O-N 3.36Å; S277-E280 VanDerWaalsContact O-N 3.1Å; S277-E280 VanDerWaalsContact OG-CB 3.26Å; S277-E280 WeakPolarHBondContact OG-CB 3.36Å; S277-E280 WeakPolarHBondContact OG-CG 3.04Å; S277-E280 PolarHBondContact OG-N 3.38Å; S277-E280 PolarHBondContact OG-OE2 2.84Å; M278-E280 PolarHBondContact O-N 3.22Å; E280-D284 WeakPolarHBondContact O-CB 3.44Å; E280-D284 PolarHBondContact O-N 3.47Å
281L55.3Low56.7Low71 Ų7166.4 Ų66.437%0.37231%0.314SS..Hα-helixtrans-71.3-45.2177.6-78.3164.4000112K276 S277 M278 I279 D284 Y285K276-L281 HydrophobicContact CB-CD1 4.45Å; K276-L281 HydrophobicContact CB-CD2 3.98Å; K276-L281 HydrophobicContact CB-CG 3.73Å; K276-L281 HydrophobicContact CD-CD2 4.25Å; S277-L281 PolarHBondContact O-N 2.82Å; M278-L281 PolarHBondContact O-N 2.87Å; I279-L281 VanDerWaalsContact C-N 3.27Å; I279-L281 PolarHBondContact O-N 2.93Å; L281-D284 PolarHBondContact O-N 3.01Å; L281-Y285 VanDerWaalsContact O-CB 3.3Å; L281-Y285 WeakPolarHBondContact O-CB 2.72Å; L281-Y285 PolarHBondContact O-N 3.26Å
282E50.4Low55.8Low106 Ų10671.3 Ų71.350%0.49533%0.331SS..Hα-helixtrans-64.4-43.8175-71.5179.4-178.600111M278 I279 Y285 N286M278-E282 PolarHBondContact O-N 3.44Å; I279-E282 PolarHBondContact O-N 2.96Å; E282-Y285 PolarHBondContact O-N 2.85Å; E282-N286 WeakPolarHBondContact O-CB 3.31Å; E282-N286 PolarHBondContact O-N 3.5Å; E282-N286 PolarHBondContact O-ND2 2.72Å
283L42.4Very low55.4Low51 Ų5167 Ų6727%0.26731%0.311SS..Hα-helixtrans-58.9-52.5172.8-69.9-177.5000109.9I279 Y285 N286 Q287 P698I279-L283 HydrophobicContact CG2-CD1 3.64Å; I279-L283 HydrophobicContact CG2-CG 3.86Å; I279-L283 WeakPolarHBondContact O-CB 3.1Å; I279-L283 WeakPolarHBondContact O-CG 3.25Å; I279-L283 PolarHBondContact O-N 3.3Å; L283-Y285 VanDerWaalsContact C-N 3.35Å; L283-Y285 PolarHBondContact O-N 2.83Å; L283-N286 PolarHBondContact O-N 3.5Å; L283-Q287 WeakPolarHBondContact O-CA 3.48Å; L283-Q287 WeakPolarHBondContact O-CB 3.35Å; L283-Q287 WeakPolarHBondContact O-CG 3.43Å; L283-Q287 PolarHBondContact O-N 3.33Å; L283-P698 HydrophobicContact CD2-CB 4.35Å; L283-P698 HydrophobicContact CD2-CG 3.23Å
284D49.7Very low55Low39 Ų3963.1 Ų63.121%0.20929%0.294CS..Hα-helixtrans-60.8-42.2-178.9-110.440.2000112.5K276 E280 L281 K288K276-D284 IonicContact NZ-OD2 2.81Å; K276-D284 PolarHBondContact NZ-OD2 3.32Å; E280-D284 WeakPolarHBondContact O-CB 3.44Å; E280-D284 PolarHBondContact O-N 3.47Å; L281-D284 PolarHBondContact O-N 3.01Å; D284-K288 WeakPolarHBondContact O-CB 3.34Å; D284-K288 WeakPolarHBondContact O-CD 3.43Å; D284-K288 WeakPolarHBondContact O-CG 3.44Å; D284-K288 PolarHBondContact O-N 3Å; D284-K288 WeakPolarHBondContact OD2-CE 3.4Å; D284-K288 IonicContact OD2-NZ 3.73Å; D284-K288 PolarHBondContact OD2-NZ 3.05Å
285Y48.4Very low54.3Low96 Ų9659 Ų5938%0.37627%0.267SS..Hα-helixtrans-66.5-50.6-178.3-173.3-94.2000110.2L281 E282 L283 W289 P517L281-Y285 VanDerWaalsContact O-CB 3.3Å; L281-Y285 WeakPolarHBondContact O-CB 2.72Å; L281-Y285 PolarHBondContact O-N 3.26Å; E282-Y285 PolarHBondContact O-N 2.85Å; L283-Y285 VanDerWaalsContact C-N 3.35Å; L283-Y285 PolarHBondContact O-N 2.83Å; Y285-W289 AromaticContact CE2-NE1 3.92Å; Y285-W289 PolarHBondContact O-N 3.13Å; Y285-P517 HydrophobicContact CE1-CB 4.27Å; Y285-P517 HydrophobicContact CE1-CG 4.28Å
286N45.7Very low54.2Low46 Ų4656.5 Ų56.525%0.24626%0.256CS..Hα-helixtrans-68.8-41.2179.9-70.7-25000111.8E282 L283 E290 P698E282-N286 WeakPolarHBondContact O-CB 3.31Å; E282-N286 PolarHBondContact O-N 3.5Å; E282-N286 PolarHBondContact O-ND2 2.72Å; L283-N286 PolarHBondContact O-N 3.5Å; N286-E290 WeakPolarHBondContact O-CB 3.27Å; N286-E290 PolarHBondContact O-N 3.21Å; N286-P698 HydrophobicContact CB-CB 3.88Å
287Q48.7Very low54.1Low67 Ų6755.5 Ų55.531%0.31325%0.252SS..Hα-helixtrans-65.5-47.9178.9-70.7172.11.400111L283 W289 Y291L283-Q287 WeakPolarHBondContact O-CA 3.48Å; L283-Q287 WeakPolarHBondContact O-CB 3.35Å; L283-Q287 WeakPolarHBondContact O-CG 3.43Å; L283-Q287 PolarHBondContact O-N 3.33Å; Q287-W289 VanDerWaalsContact C-N 3.25Å; Q287-W289 PolarHBondContact O-N 3.15Å; Q287-Y291 HydrophobicContact CB-CD2 3.85Å; Q287-Y291 HydrophobicContact CB-CE2 4.01Å; Q287-Y291 HydrophobicContact CG-CD2 4.23Å; Q287-Y291 HydrophobicContact CG-CE2 3.88Å; Q287-Y291 WeakPolarHBondContact O-CB 3.43Å; Q287-Y291 WeakPolarHBondContact O-CD2 3.39Å; Q287-Y291 PolarHBondContact O-N 2.84Å
288K54.5Low53.7Low100 Ų10058.8 Ų58.844%0.43529%0.288SS..Hα-helixtrans-62.2-31.8-177.7-78.2169.6174.81600113.5D284 R292D284-K288 WeakPolarHBondContact O-CB 3.34Å; D284-K288 WeakPolarHBondContact O-CD 3.43Å; D284-K288 WeakPolarHBondContact O-CG 3.44Å; D284-K288 PolarHBondContact O-N 3Å; D284-K288 WeakPolarHBondContact OD2-CE 3.4Å; D284-K288 IonicContact OD2-NZ 3.73Å; D284-K288 PolarHBondContact OD2-NZ 3.05Å; K288-R292 WeakPolarHBondContact O-CB 3.48Å; K288-R292 WeakPolarHBondContact O-CD 3.47Å; K288-R292 WeakPolarHBondContact O-CG 3.43Å; K288-R292 PolarHBondContact O-NE 2.99Å
289W53Low53.6Low62 Ų6261.7 Ų61.724%0.23530%0.301CS..Hα-helixtrans-84.3-54.1178.2-72.7112.3000112.2Y285 Q287 Y291 R292 E293 V514Y285-W289 AromaticContact CE2-NE1 3.92Å; Y285-W289 PolarHBondContact O-N 3.13Å; Q287-W289 VanDerWaalsContact C-N 3.25Å; Q287-W289 PolarHBondContact O-N 3.15Å; W289-Y291 PolarHBondContact O-N 2.85Å; W289-R292 PolarHBondContact O-N 3.1Å; W289-E293 WeakPolarHBondContact O-CB 3.21Å; W289-E293 PolarHBondContact O-N 3.31Å; W289-V514 HydrophobicContact CH2-CB 4.1Å; W289-V514 HydrophobicContact CH2-CG1 4.44Å; W289-V514 WeakPolarHBondContact CH2-O 3.43Å; W289-V514 HydrophobicContact CZ2-CB 3.71Å; W289-V514 HydrophobicContact CZ2-CG1 3.63Å; W289-V514 WeakPolarHBondContact CZ2-O 3.03Å
290E54.9Low54.2Low12 Ų1267.5 Ų67.56%0.05633%0.325CS..Hα-helixtrans-63.5-39.4-179.4-78.7-167162.300112.2N286 E293 I294 K581 I696 G697N286-E290 WeakPolarHBondContact O-CB 3.27Å; N286-E290 PolarHBondContact O-N 3.21Å; E290-E293 PolarHBondContact O-N 2.85Å; E290-I294 HydrophobicContact CB-CD1 4.18Å; E290-I294 HydrophobicContact CG-CD1 4.48Å; E290-I294 WeakPolarHBondContact O-CB 3.42Å; E290-I294 VanDerWaalsContact O-CG1 3.26Å; E290-I294 WeakPolarHBondContact O-CG1 3.21Å; E290-I294 PolarHBondContact O-N 2.81Å; E290-K581 IonicContact OE1-NZ 2.76Å; E290-K581 PolarHBondContact OE1-NZ 2.86Å; E290-K581 IonicContact OE2-NZ 2.77Å; E290-K581 PolarHBondContact OE2-NZ 3.36Å; E290-K581 VanDerWaalsContact OE2-NZ 3.14Å; E290-I696 HydrophobicContact CB-CG2 3.97Å; E290-G697 PolarHBondContact OE2-N 2.71Å
291Y57.9Low55Low64 Ų6465.5 Ų65.525%0.25132%0.316SS..Hα-helixtrans-64.7-44.4177.4-83.1-106000111.4Q287 W289 E293 Q295 I696Q287-Y291 HydrophobicContact CB-CD2 3.85Å; Q287-Y291 HydrophobicContact CB-CE2 4.01Å; Q287-Y291 HydrophobicContact CG-CD2 4.23Å; Q287-Y291 HydrophobicContact CG-CE2 3.88Å; Q287-Y291 WeakPolarHBondContact O-CB 3.43Å; Q287-Y291 WeakPolarHBondContact O-CD2 3.39Å; Q287-Y291 PolarHBondContact O-N 2.84Å; W289-Y291 PolarHBondContact O-N 2.85Å; Y291-E293 VanDerWaalsContact C-N 3.34Å; Y291-E293 PolarHBondContact O-N 2.83Å; Y291-Q295 VanDerWaalsContact CE1-NE2 3.35Å; Y291-Q295 WeakPolarHBondContact O-CA 3.31Å; Y291-Q295 WeakPolarHBondContact O-CB 3.12Å; Y291-Q295 PolarHBondContact O-N 3.39Å; Y291-I696 HydrophobicContact CD1-CG2 4.48Å; Y291-I696 HydrophobicContact CD2-CG2 3.46Å; Y291-I696 VanDerWaalsContact CD2-CG2 3.46Å; Y291-I696 HydrophobicContact CE1-CG2 4.49Å; Y291-I696 HydrophobicContact CE2-CG2 3.5Å; Y291-I696 VanDerWaalsContact CE2-CG2 3.5Å; Y291-I696 HydrophobicContact CG-CG2 3.99Å
292R57.5Low56.3Low130 Ų13065.8 Ų65.849%0.49132%0.321SS..Hα-helixtrans-64-40.7179.1-74179-166.2-168.24.8112.7K288 W289 E296 E297K288-R292 WeakPolarHBondContact O-CB 3.48Å; K288-R292 WeakPolarHBondContact O-CD 3.47Å; K288-R292 WeakPolarHBondContact O-CG 3.43Å; K288-R292 PolarHBondContact O-NE 2.99Å; W289-R292 PolarHBondContact O-N 3.1Å; R292-E296 CarbonylContact O-C 3.5Å; R292-E296 WeakPolarHBondContact O-CA 3.29Å; R292-E296 PolarHBondContact O-N 2.84Å; R292-E296 VanDerWaalsContact O-N 3.08Å; R292-E297 HydrophobicContact CB-CB 4.37Å; R292-E297 HydrophobicContact CG-CB 4.02Å; R292-E297 PolarHBondContact O-N 2.88Å
293E62.3Low58Low73 Ų7362.7 Ų62.734%0.34131%0.31SS..Hα-helixtrans-77.1-43-177.8-165.9166.4-154.100111.4W289 E290 Y291 R519 F733W289-E293 WeakPolarHBondContact O-CB 3.21Å; W289-E293 PolarHBondContact O-N 3.31Å; E290-E293 PolarHBondContact O-N 2.85Å; Y291-E293 VanDerWaalsContact C-N 3.34Å; Y291-E293 PolarHBondContact O-N 2.83Å; E293-R519 IonicContact OE2-CZ 3.84Å; E293-R519 IonicContact OE2-NH1 3.83Å; E293-R519 PolarHBondContact OE2-NH1 3.13Å; E293-F733 VanDerWaalsContact CD-CZ 3.41Å; E293-F733 HydrophobicContact CG-CD2 4.17Å; E293-F733 HydrophobicContact CG-CE2 3.57Å; E293-F733 HydrophobicContact CG-CZ 4.36Å; E293-F733 WeakPolarHBondContact OE1-CE2 3.44Å; E293-F733 VanDerWaalsContact OE1-CZ 3.31Å; E293-F733 WeakPolarHBondContact OE1-CZ 3.33Å; E293-F733 WeakPolarHBondContact OE2-CE2 3.19Å; E293-F733 WeakPolarHBondContact OE2-CZ 3.36Å
294I62.4Low60.2Low1 Ų160.9 Ų60.91%0.00530%0.301CS..Hα-helixtrans-78.2-35.9-176.7-61.6171.2000112.3E290 I696 H708 P730 F733E290-I294 HydrophobicContact CB-CD1 4.18Å; E290-I294 HydrophobicContact CG-CD1 4.48Å; E290-I294 WeakPolarHBondContact O-CB 3.42Å; E290-I294 VanDerWaalsContact O-CG1 3.26Å; E290-I294 WeakPolarHBondContact O-CG1 3.21Å; E290-I294 PolarHBondContact O-N 2.81Å; I294-I696 HydrophobicContact CB-CD1 3.86Å; I294-I696 HydrophobicContact CB-CG1 4.02Å; I294-I696 HydrophobicContact CD1-CB 4.36Å; I294-I696 HydrophobicContact CD1-CG1 3.75Å; I294-I696 HydrophobicContact CD1-CG2 4.4Å; I294-I696 HydrophobicContact CG1-CG1 4.48Å; I294-I696 HydrophobicContact CG2-CD1 3.52Å; I294-I696 HydrophobicContact CG2-CG1 3.68Å; I294-H708 PolarHBondContact O-CE1 3.04Å; I294-P730 HydrophobicContact CB-CG 4.39Å; I294-P730 HydrophobicContact CG2-CG 4.28Å; I294-P730 WeakPolarHBondContact O-CG 3.45Å; I294-F733 HydrophobicContact CD1-CB 4.13Å; I294-F733 HydrophobicContact CG1-CB 4.24Å; I294-F733 HydrophobicContact CG1-CD2 4.47Å
295Q60.5Low62.1Low23 Ų2361.6 Ų61.611%0.10730%0.302CS..THydrogen-bonded Turntrans-96.97.4177.2-52.5-172.419.200112.9Y291 E297 L301 I696 M717 N719Y291-Q295 VanDerWaalsContact CE1-NE2 3.35Å; Y291-Q295 WeakPolarHBondContact O-CA 3.31Å; Y291-Q295 WeakPolarHBondContact O-CB 3.12Å; Y291-Q295 PolarHBondContact O-N 3.39Å; Q295-E297 HydrophobicContact CB-CG 4.07Å; Q295-E297 PolarHBondContact O-N 3.05Å; Q295-E297 VanDerWaalsContact O-N 3.11Å; Q295-L301 VanDerWaalsContact O-CD1 3.32Å; Q295-L301 WeakPolarHBondContact O-CD1 3.42Å; Q295-I696 HydrophobicContact CG-CD1 3.92Å; Q295-M717 HydrophobicContact CB-CE 4.4Å; Q295-M717 HydrophobicContact CB-SD 4.3Å; Q295-N719 VanDerWaalsContact CD-ND2 3.33Å; Q295-N719 PolarHBondContact NE2-ND2 2.9Å; Q295-N719 PolarHBondContact OE1-ND2 2.92Å; Q295-N719 VanDerWaalsContact OE1-ND2 3.17Å
296E61.6Low64.1Low7 Ų757.7 Ų57.73%0.03329%0.291CS..THydrogen-bonded Turntrans51.732-176.1-63.8177.2-126.400112.9R292 G298 H299 L301 S726 E727 K728R292-E296 CarbonylContact O-C 3.5Å; R292-E296 WeakPolarHBondContact O-CA 3.29Å; R292-E296 PolarHBondContact O-N 2.84Å; R292-E296 VanDerWaalsContact O-N 3.08Å; E296-G298 PolarHBondContact O-N 3.44Å; E296-G298 VanDerWaalsContact O-N 3.13Å; E296-H299 HydrophobicContact CB-CB 4.49Å; E296-H299 WeakPolarHBondContact O-CB 3.36Å; E296-H299 PolarHBondContact O-N 2.98Å; E296-L301 HydrophobicContact CB-CD1 4.41Å; E296-L301 HydrophobicContact CB-CD2 3.98Å; E296-S726 WeakPolarHBondContact OE1-CA 3.42Å; E296-S726 WeakPolarHBondContact OE1-CB 3.49Å; E296-S726 PolarHBondContact OE1-OG 2.97Å; E296-E727 PolarHBondContact OE2-N 3.09Å; E296-K728 PolarHBondContact OE2-N 2.87Å
297E52.9Low66.4Low69 Ų6960.1 Ų60.132%0.32231%0.309SS..THydrogen-bonded Turntrans-63.5116.9-178.7-59-176.7147.700110.5R292 Q295R292-E297 HydrophobicContact CB-CB 4.37Å; R292-E297 HydrophobicContact CG-CB 4.02Å; R292-E297 PolarHBondContact O-N 2.88Å; Q295-E297 HydrophobicContact CB-CG 4.07Å; Q295-E297 PolarHBondContact O-N 3.05Å; Q295-E297 VanDerWaalsContact O-N 3.11Å
298G49.6Very low68.5Low80 Ų8057.2 Ų57.283%0.82530%0.297SS*.THydrogen-bonded Turntrans125-24-172.500000112.1E296E296-G298 PolarHBondContact O-N 3.44Å; E296-G298 VanDerWaalsContact O-N 3.13Å
299H57.6Low70.4Confident86 Ų8653 Ų5340%0.39828%0.279SS..SBendtrans-84145.7168.3-69.3-95000110.5E296 L301 E727E296-H299 HydrophobicContact CB-CB 4.49Å; E296-H299 WeakPolarHBondContact O-CB 3.36Å; E296-H299 PolarHBondContact O-N 2.98Å; H299-L301 HydrophobicContact CB-CD2 4.36Å; H299-L301 PolarHBondContact O-N 2.68Å; H299-E727 IonicContact ND1-OE2 2.71Å
300K59.2Low72.4Confident161 Ų16150 Ų5070%0.727%0.268SS*.  trans-76.277172.5-70.3-173.1178.5173.60109.1V302 F385K300-V302 PolarHBondContact O-N 3.35Å; K300-F385 HydrophobicContact CB-CZ 4.09Å; K300-F385 HydrophobicContact CD-CE2 4.31Å; K300-F385 HydrophobicContact CD-CZ 3.83Å; K300-F385 HydrophobicContact CG-CE1 4.11Å; K300-F385 HydrophobicContact CG-CZ 3.64Å
301L70.4Confident74.2Confident31 Ų3149.6 Ų49.616%0.16227%0.267CS..PPolyproline II helixtrans-61130.3179.6-66.2-178.7000111.4Q295 E296 H299 M717 F724 Q725Q295-L301 VanDerWaalsContact O-CD1 3.32Å; Q295-L301 WeakPolarHBondContact O-CD1 3.42Å; E296-L301 HydrophobicContact CB-CD1 4.41Å; E296-L301 HydrophobicContact CB-CD2 3.98Å; H299-L301 HydrophobicContact CB-CD2 4.36Å; H299-L301 PolarHBondContact O-N 2.68Å; L301-M717 HydrophobicContact CD1-CE 3.68Å; L301-F724 HydrophobicContact CB-CB 4.06Å; L301-F724 HydrophobicContact CB-CD1 3.89Å; L301-F724 HydrophobicContact CB-CG 4Å; L301-F724 HydrophobicContact CD1-CB 4.25Å; L301-F724 HydrophobicContact CD1-CD2 4.27Å; L301-F724 HydrophobicContact CD1-CG 4.22Å; L301-Q725 WeakPolarHBondContact CD2-O 3.23Å
302V82.5Confident75.9Confident78 Ų7846.6 Ų46.647%0.47326%0.255SS..PPolyproline II helixtrans-88.2118.1-179.6179.80000108.6K300 F724 Q725K300-V302 PolarHBondContact O-N 3.35Å; V302-F724 WeakPolarHBondContact O-CA 3.39Å; V302-Q725 HydrophobicContact CB-CB 4.49Å; V302-Q725 PolarHBondContact O-N 2.68Å
303P85.7Confident77.2Confident40 Ų4041.5 Ų41.526%0.2624%0.238SC..BIsolated β-bridgetrans-64.4142174.627.3-33.4000110.3F305 F379 V723 F724P303-F305 HydrophobicContact CB-CE2 4.05Å; P303-F305 HydrophobicContact CB-CZ 3.96Å; P303-F305 HydrophobicContact CG-CE2 4.24Å; P303-F305 HydrophobicContact CG-CZ 4.43Å; P303-F379 HydrophobicContact CB-CE1 4.43Å; P303-V723 WeakPolarHBondContact CA-O 3.22Å; P303-F724 HydrophobicContact CB-CD1 4.16Å; P303-F724 HydrophobicContact CB-CE1 4.08Å
304L88.9Confident78.2Confident14 Ų1440.4 Ų40.47%0.07324%0.235CC..  trans-116.1143.2-177.5-66.9-177000111.5L309 R714 V716 V723 Q725L304-L309 HydrophobicContact CB-CD1 4.25Å; L304-L309 HydrophobicContact CB-CD2 4.34Å; L304-L309 HydrophobicContact CD1-CD2 4.28Å; L304-R714 VanDerWaalsContact CD2-NH1 3.34Å; L304-V716 HydrophobicContact CD1-CB 4.38Å; L304-V716 HydrophobicContact CD1-CG1 3.97Å; L304-V716 HydrophobicContact CD1-CG2 3.71Å; L304-V723 HydrophobicContact CB-CG1 4.27Å; L304-V723 PolarHBondContact N-O 3.06Å; L304-Q725 HydrophobicContact CD1-CB 3.87Å; L304-Q725 HydrophobicContact CD2-CB 4.21Å; L304-Q725 HydrophobicContact CG-CB 4.1Å
305F90.3Very high78.8Confident54 Ų5441.7 Ų41.724%0.23724%0.241CC..  trans-134.1154.8-177.6-55.4-74.8000112.3P303 L309 S374 R375 E376 F379P303-F305 HydrophobicContact CB-CE2 4.05Å; P303-F305 HydrophobicContact CB-CZ 3.96Å; P303-F305 HydrophobicContact CG-CE2 4.24Å; P303-F305 HydrophobicContact CG-CZ 4.43Å; F305-L309 VanDerWaalsContact O-CD1 3.24Å; F305-L309 WeakPolarHBondContact O-CD1 3.26Å; F305-S374 VanDerWaalsContact CA-OG 3.31Å; F305-S374 WeakPolarHBondContact CA-OG 3.35Å; F305-R375 VanDerWaalsContact CD1-C 3.45Å; F305-R375 WeakPolarHBondContact CD1-O 3.26Å; F305-E376 HydrophobicContact CD2-CB 3.74Å; F305-E376 HydrophobicContact CD2-CG 4.02Å; F305-E376 HydrophobicContact CE2-CB 3.96Å; F305-E376 HydrophobicContact CE2-CG 3.86Å; F305-E376 HydrophobicContact CG-CB 4.09Å; F305-E376 HydrophobicContact CZ-CB 4.48Å; F305-F379 AromaticContact CE1-CD2 3.35Å; F305-F379 HydrophobicContact CE1-CD2 3.35Å; F305-F379 AromaticContact CE1-CE2 3.7Å; F305-F379 HydrophobicContact CE1-CE2 3.7Å; F305-F379 HydrophobicContact CE1-CG 4.07Å; F305-F379 HydrophobicContact CZ-CB 4Å; F305-F379 HydrophobicContact CZ-CD1 4.31Å; F305-F379 AromaticContact CZ-CD2 3.4Å; F305-F379 HydrophobicContact CZ-CD2 3.4Å; F305-F379 VanDerWaalsContact CZ-CD2 3.4Å; F305-F379 AromaticContact CZ-CE2 3.87Å; F305-F379 HydrophobicContact CZ-CE2 3.87Å; F305-F379 AromaticContact CZ-CG 3.63Å; F305-F379 HydrophobicContact CZ-CG 3.63Å; F305-F379 HydrophobicContact CZ-CZ 4.5Å
306G90.7Very high79.1Confident14 Ų1441.2 Ų41.214%0.14424%0.242CC..SBendtrans114.9-167.2172.100000115.2G308 L309 S374G306-G308 PolarHBondContact O-N 3.13Å; G306-L309 WeakPolarHBondContact O-CB 3.4Å; G306-L309 PolarHBondContact O-N 2.96Å; G306-S374 PolarHBondContact N-O 2.98Å; G306-S374 VanDerWaalsContact N-O 3.13Å; G306-S374 PolarHBondContact N-OG 3.47Å
307P93Very high79.7Confident96 Ų9641.9 Ų41.962%0.62325%0.246SC*.THydrogen-bonded Turntrans-55.7129.6-177.9-27.236.6000112.7L309 Q369P307-L309 PolarHBondContact O-N 3.1Å; P307-Q369 WeakPolarHBondContact CA-O 3.35Å; P307-Q369 WeakPolarHBondContact CB-O 2.95Å
308G93.8Very high81.3Confident6 Ų638.6 Ų38.66%0.06223%0.231CC..THydrogen-bonded Turntrans72.85.8-178.900000114.7G306 L368 K711G306-G308 PolarHBondContact O-N 3.13Å; G308-L368 VanDerWaalsContact CA-O 3.28Å; G308-L368 WeakPolarHBondContact CA-O 3.28Å; G308-L368 PolarHBondContact N-O 3.05Å; G308-L368 VanDerWaalsContact N-O 3.13Å; G308-K711 PolarHBondContact O-NZ 2.93Å
309L94.4Very high83.2Confident12 Ų1235.1 Ų35.16%0.06319%0.193CC..  trans-11931.5-178.1-60.8167.2000111.4L304 F305 G306 P307 S374 K711 V716 F718 V723L304-L309 HydrophobicContact CB-CD1 4.25Å; L304-L309 HydrophobicContact CB-CD2 4.34Å; L304-L309 HydrophobicContact CD1-CD2 4.28Å; F305-L309 VanDerWaalsContact O-CD1 3.24Å; F305-L309 WeakPolarHBondContact O-CD1 3.26Å; G306-L309 WeakPolarHBondContact O-CB 3.4Å; G306-L309 PolarHBondContact O-N 2.96Å; P307-L309 PolarHBondContact O-N 3.1Å; L309-S374 WeakPolarHBondContact O-CB 3.37Å; L309-S374 PolarHBondContact O-OG 3.38Å; L309-K711 HydrophobicContact CD2-CD 4.49Å; L309-V716 HydrophobicContact CD2-CG1 3.92Å; L309-V716 HydrophobicContact CD2-CG2 4.05Å; L309-F718 HydrophobicContact CD2-CZ 4.31Å; L309-V723 HydrophobicContact CB-CG1 4.42Å; L309-V723 HydrophobicContact CD2-CG1 4.35Å
310T94.3Very high84.9Confident0 Ų031 Ų310%018%0.175CC..  trans-90.6126.4-179.6-51.90000110.2Q326 G367 L368 I397T310-Q326 PolarHBondContact O-NE2 2.66Å; T310-G367 PolarHBondContact OG1-O 3.45Å; T310-L368 HydrophobicContact CG2-CD2 4.47Å; T310-L368 WeakPolarHBondContact O-CD2 3.46Å; T310-L368 PolarHBondContact OG1-O 2.86Å; T310-L368 VanDerWaalsContact OG1-O 3.06Å; T310-I397 HydrophobicContact CG2-CG1 4.35Å; T310-I397 HydrophobicContact CG2-CG2 3.77Å
311G92.3Very high86.6Confident3 Ų323.4 Ų23.43%0.03114%0.141CC..  trans-74.6162.4172.100000112.7G396 I397 D720G311-G396 CarbonylContact O-C 3.56Å; G311-G396 WeakPolarHBondContact O-CA 3.38Å; G311-I397 PolarHBondContact O-N 3.25Å; G311-D720 CarbonylContact C-O 3.55Å; G311-D720 VanDerWaalsContact CA-O 3.23Å; G311-D720 WeakPolarHBondContact CA-O 2.95Å
312M93.2Very high87.8Confident1 Ų122.1 Ų22.11%0.00514%0.135CC..BIsolated β-bridgetrans-120121.6174.6-80-177.1-75.900111.2N314 N322 M325 Q326 L364 L368 I397 P399 D720 E721M312-N314 PolarHBondContact O-N 3.38Å; M312-N322 HydrophobicContact CB-CB 4.09Å; M312-N322 HydrophobicContact CE-CB 4Å; M312-N322 WeakPolarHBondContact CE-O 3.29Å; M312-N322 PolarHBondContact O-ND2 3.37Å; M312-M325 HydrophobicContact CE-CB 3.92Å; M312-M325 HydrophobicContact SD-CB 4.2Å; M312-Q326 HydrophobicContact CE-CB 4.46Å; M312-Q326 HydrophobicContact CE-CG 3.5Å; M312-Q326 VanDerWaalsContact CE-CG 3.5Å; M312-L364 HydrophobicContact SD-CD2 4.5Å; M312-L368 HydrophobicContact CE-CD1 4.23Å; M312-L368 HydrophobicContact CE-CD2 4.15Å; M312-L368 HydrophobicContact CG-CD2 3.92Å; M312-L368 HydrophobicContact SD-CD1 4.45Å; M312-L368 HydrophobicContact SD-CD2 4.15Å; M312-I397 CarbonylContact C-O 3.59Å; M312-I397 VanDerWaalsContact CA-O 3.3Å; M312-I397 WeakPolarHBondContact CA-O 3.45Å; M312-I397 HydrophobicContact CG-CD1 4.04Å; M312-I397 HydrophobicContact CG-CG1 3.64Å; M312-P399 HydrophobicContact CG-CG 4.42Å; M312-P399 HydrophobicContact SD-CG 4.07Å; M312-D720 PolarHBondContact N-O 2.85Å; M312-D720 CarbonylContact O-C 3.57Å; M312-D720 WeakPolarHBondContact O-CA 3.49Å; M312-D720 VanDerWaalsContact O-CB 3.26Å; M312-D720 WeakPolarHBondContact O-CB 3.25Å; M312-E721 PolarHBondContact O-N 2.81Å
313V86.2Confident88.4Confident23 Ų2318.6 Ų18.614%0.13911%0.113CC..  trans-60133.3-179.6-178.70000110.5M315 I397 R398V313-M315 PolarHBondContact O-N 3.01Å; V313-I397 PolarHBondContact N-O 2.9Å; V313-R398 HydrophobicContact CB-CB 4.28Å; V313-R398 HydrophobicContact CB-CG 4.48Å; V313-R398 HydrophobicContact CG2-CB 4.43Å
314N81.6Confident89Confident50 Ų5016.7 Ų16.727%0.26710%0.101SC..  trans-71119.1173.8-164.1-42000110.3M312 G316 N317 S318 D720M312-N314 PolarHBondContact O-N 3.38Å; N314-G316 VanDerWaalsContact C-N 3.31Å; N314-G316 PolarHBondContact O-N 2.97Å; N314-G316 WeakPolarHBondContact OD1-CA 3.31Å; N314-G316 PolarHBondContact OD1-N 2.65Å; N314-N317 PolarHBondContact OD1-N 3.23Å; N314-S318 PolarHBondContact OD1-N 3.41Å; N314-D720 HydrophobicContact CB-CB 4.21Å; N314-D720 WeakPolarHBondContact CB-OD2 3.48Å; N314-D720 PolarHBondContact ND2-OD2 2.97Å
315M76Confident89.4Confident28 Ų2816 Ų1614%0.13810%0.098CC..  trans-96.528.3-178-64.2178.4-69.700112.2V313 S318 R398 P399 A400 R403V313-M315 PolarHBondContact O-N 3.01Å; M315-S318 PolarHBondContact N-OG 3.4Å; M315-R398 HydrophobicContact CG-CG 3.81Å; M315-R398 HydrophobicContact SD-CG 3.62Å; M315-P399 HydrophobicContact CE-CB 4.39Å; M315-P399 HydrophobicContact CE-CG 3.64Å; M315-A400 WeakPolarHBondContact SD-CA 3.37Å; M315-A400 HydrophobicContact SD-CB 3.77Å; M315-A400 PolarHBondContact SD-N 2.86Å; M315-A400 VanDerWaalsContact SD-N 3.4Å; M315-R403 HydrophobicContact CE-CB 3.97Å; M315-R403 PolarHBondContact O-NH1 2.85Å
316G65.8Low89.7Confident13 Ų1313.6 Ų13.613%0.1349%0.087CC..SBendtrans80.6108.1-170.200000110.9N314 S318 R403N314-G316 VanDerWaalsContact C-N 3.31Å; N314-G316 PolarHBondContact O-N 2.97Å; N314-G316 WeakPolarHBondContact OD1-CA 3.31Å; N314-G316 PolarHBondContact OD1-N 2.65Å; G316-S318 PolarHBondContact O-N 3Å; G316-S318 VanDerWaalsContact O-N 3.12Å; G316-R403 PolarHBondContact O-NH1 3.5Å; G316-R403 PolarHBondContact O-NH2 2.76Å
317N75.3Confident90.1Very high21 Ų2113 Ų1311%0.1128%0.081CC..SBendtrans55.222.5-179.6-64.1-31.3000114.8N314 Y320 N416 Q418N314-N317 PolarHBondContact OD1-N 3.23Å; N317-Y320 WeakPolarHBondContact O-CD1 3.36Å; N317-Y320 WeakPolarHBondContact O-CE1 3.48Å; N317-N416 PolarHBondContact ND2-O 3.44Å; N317-Q418 HydrophobicContact CB-CG 3.88Å; N317-Q418 VanDerWaalsContact OD1-CG 3.28Å; N317-Q418 WeakPolarHBondContact OD1-CG 3.23Å; N317-Q418 PolarHBondContact OD1-NE2 3.18Å
318S86Confident90.2Very high0 Ų08.5 Ų8.50%05%0.052CC..  trans-93.88.7-175.472.30000114.6N314 M315 G316 Y320 L321 N322N314-S318 PolarHBondContact OD1-N 3.41Å; M315-S318 PolarHBondContact N-OG 3.4Å; G316-S318 PolarHBondContact O-N 3Å; G316-S318 VanDerWaalsContact O-N 3.12Å; S318-Y320 VanDerWaalsContact C-N 3.25Å; S318-Y320 PolarHBondContact O-N 3.21Å; S318-L321 WeakPolarHBondContact O-CB 3.47Å; S318-L321 PolarHBondContact O-N 2.96Å; S318-L321 VanDerWaalsContact O-N 3.13Å; S318-N322 PolarHBondContact O-N 3.06Å
319C90.8Very high90.3Very high6 Ų68.5 Ų8.54%0.0415%0.051CC..Hα-helixtrans-63.2-29.2-175.454.20000113.1N322 S323 Y705C319-N322 PolarHBondContact O-N 2.68Å; C319-S323 WeakPolarHBondContact O-CB 3.33Å; C319-S323 PolarHBondContact O-N 2.63Å; C319-S323 PolarHBondContact O-OG 2.82Å; C319-Y705 PolarHBondContact SG-N 3.25Å; C319-Y705 VanDerWaalsContact SG-N 3.42Å
320Y92.9Very high90.4Very high1 Ų19.3 Ų9.30%0.0046%0.055CC..Hα-helixtrans-61.1-48.3172.366.3-94000111.1N317 S318 S323 V324 F413 Q419 F424N317-Y320 WeakPolarHBondContact O-CD1 3.36Å; N317-Y320 WeakPolarHBondContact O-CE1 3.48Å; S318-Y320 VanDerWaalsContact C-N 3.25Å; S318-Y320 PolarHBondContact O-N 3.21Å; Y320-S323 PolarHBondContact O-N 2.88Å; Y320-V324 WeakPolarHBondContact O-CG2 3.01Å; Y320-V324 PolarHBondContact O-N 3.37Å; Y320-V324 VanDerWaalsContact O-N 3.11Å; Y320-F413 HydrophobicContact CE2-CD1 4.48Å; Y320-Q419 HydrophobicContact CD1-CB 3.84Å; Y320-Q419 HydrophobicContact CD1-CG 4.45Å; Y320-Q419 HydrophobicContact CD2-CB 4.28Å; Y320-Q419 HydrophobicContact CE1-CB 3.65Å; Y320-Q419 HydrophobicContact CE1-CG 3.77Å; Y320-Q419 HydrophobicContact CE2-CB 4.18Å; Y320-Q419 HydrophobicContact CG-CB 4.16Å; Y320-F424 HydrophobicContact CD2-CB 3.8Å; Y320-F424 AromaticContact CD2-CD1 3.86Å; Y320-F424 HydrophobicContact CD2-CD1 3.86Å; Y320-F424 HydrophobicContact CD2-CD2 4.02Å; Y320-F424 HydrophobicContact CD2-CE1 4.47Å; Y320-F424 AromaticContact CD2-CG 3.6Å; Y320-F424 HydrophobicContact CD2-CG 3.6Å; Y320-F424 HydrophobicContact CE2-CB 4.13Å; Y320-F424 HydrophobicContact CE2-CD1 4.2Å; Y320-F424 AromaticContact CE2-CD2 3.58Å; Y320-F424 HydrophobicContact CE2-CD2 3.58Å; Y320-F424 AromaticContact CE2-CE2 3.99Å; Y320-F424 HydrophobicContact CE2-CE2 3.99Å; Y320-F424 AromaticContact CE2-CG 3.69Å; Y320-F424 HydrophobicContact CE2-CG 3.69Å; Y320-F424 HydrophobicContact CE2-CZ 4.47Å
321L93.8Very high90.4Very high0 Ų09.3 Ų9.30%06%0.055CC..Hα-helixtrans-63.2-47.7178178.5158.8000110.1S318 S323 V324 M325 P399 F402 R403 F424S318-L321 WeakPolarHBondContact O-CB 3.47Å; S318-L321 PolarHBondContact O-N 2.96Å; S318-L321 VanDerWaalsContact O-N 3.13Å; L321-S323 VanDerWaalsContact C-N 3.34Å; L321-S323 PolarHBondContact O-N 3.08Å; L321-V324 PolarHBondContact O-N 2.85Å; L321-M325 HydrophobicContact CD2-CG 3.94Å; L321-M325 HydrophobicContact CG-CG 4.34Å; L321-M325 WeakPolarHBondContact O-CB 3.44Å; L321-M325 VanDerWaalsContact O-CG 3.29Å; L321-M325 WeakPolarHBondContact O-CG 3.25Å; L321-M325 PolarHBondContact O-N 2.88Å; L321-P399 HydrophobicContact CD2-CG 4.25Å; L321-F402 HydrophobicContact CD1-CD1 4.35Å; L321-F402 HydrophobicContact CD1-CE1 4.42Å; L321-R403 HydrophobicContact CD1-CB 4.2Å; L321-R403 HydrophobicContact CD1-CG 4.33Å; L321-F424 HydrophobicContact CB-CE1 3.99Å; L321-F424 HydrophobicContact CB-CZ 3.99Å; L321-F424 HydrophobicContact CD1-CE2 4.37Å; L321-F424 HydrophobicContact CD1-CZ 3.86Å; L321-F424 HydrophobicContact CG-CE1 4.02Å; L321-F424 HydrophobicContact CG-CZ 3.73Å
322N95.3Very high90.4Very high5 Ų512.4 Ų12.43%0.0278%0.075CC..Hα-helixtrans-57.8-48.1-179.9-67.7-10.3000110.9M312 S318 C319 V324 M325 Q326 D720M312-N322 HydrophobicContact CB-CB 4.09Å; M312-N322 HydrophobicContact CE-CB 4Å; M312-N322 WeakPolarHBondContact CE-O 3.29Å; M312-N322 PolarHBondContact O-ND2 3.37Å; S318-N322 PolarHBondContact O-N 3.06Å; C319-N322 PolarHBondContact O-N 2.68Å; N322-V324 PolarHBondContact O-N 2.8Å; N322-M325 PolarHBondContact O-N 2.9Å; N322-Q326 WeakPolarHBondContact O-CG 3.08Å; N322-Q326 PolarHBondContact O-N 3.1Å; N322-D720 PolarHBondContact ND2-OD1 3.01Å
323S96.7Very high90.4Very high3 Ų313.7 Ų13.72%0.0218%0.084CC..Hα-helixtrans-61.6-43.3179.6-65.10000112.7C319 Y320 L321 A327 Y705C319-S323 WeakPolarHBondContact O-CB 3.33Å; C319-S323 PolarHBondContact O-N 2.63Å; C319-S323 PolarHBondContact O-OG 2.82Å; Y320-S323 PolarHBondContact O-N 2.88Å; L321-S323 VanDerWaalsContact C-N 3.34Å; L321-S323 PolarHBondContact O-N 3.08Å; S323-A327 WeakPolarHBondContact O-CB 3.46Å; S323-A327 PolarHBondContact O-N 2.99Å; S323-A327 VanDerWaalsContact O-N 3.13Å; S323-Y705 PolarHBondContact OG-O 3.48Å
324V97.5Very high90.7Very high0 Ų012.7 Ų12.70%08%0.078CC..Hα-helixtrans-66.6-44.1178.9171.30000111.5Y320 L321 N322 Q326 A327 L328 V421 F424 M425 L428 I693Y320-V324 WeakPolarHBondContact O-CG2 3.01Å; Y320-V324 PolarHBondContact O-N 3.37Å; Y320-V324 VanDerWaalsContact O-N 3.11Å; L321-V324 PolarHBondContact O-N 2.85Å; N322-V324 PolarHBondContact O-N 2.8Å; V324-Q326 PolarHBondContact O-N 2.79Å; V324-A327 PolarHBondContact O-N 2.99Å; V324-L328 HydrophobicContact CG1-CD1 3.94Å; V324-L328 HydrophobicContact CG1-CG 4.39Å; V324-L328 WeakPolarHBondContact O-CB 3.48Å; V324-L328 PolarHBondContact O-N 3.01Å; V324-V421 HydrophobicContact CG2-CG2 3.19Å; V324-F424 HydrophobicContact CB-CD1 4.16Å; V324-F424 HydrophobicContact CB-CE1 4.19Å; V324-F424 HydrophobicContact CG1-CD1 4.26Å; V324-F424 HydrophobicContact CG1-CE1 4.2Å; V324-F424 HydrophobicContact CG2-CD1 4.11Å; V324-M425 HydrophobicContact CB-CG 4.34Å; V324-M425 HydrophobicContact CG1-CG 3.79Å; V324-M425 HydrophobicContact CG2-CG 3.53Å; V324-M425 HydrophobicContact CG2-SD 4.13Å; V324-L428 HydrophobicContact CG1-CD2 3.68Å; V324-I693 HydrophobicContact CG2-CD1 4.02Å
325M97.6Very high91.3Very high0 Ų016.1 Ų16.10%09%0.087CC..Hα-helixtrans-66.9-36.4-179.5-67.9-46.8-59.600112.2M312 L321 N322 L328 A329 M361 L364 L365 F402 L428M312-M325 HydrophobicContact CE-CB 3.92Å; M312-M325 HydrophobicContact SD-CB 4.2Å; L321-M325 HydrophobicContact CD2-CG 3.94Å; L321-M325 HydrophobicContact CG-CG 4.34Å; L321-M325 WeakPolarHBondContact O-CB 3.44Å; L321-M325 VanDerWaalsContact O-CG 3.29Å; L321-M325 WeakPolarHBondContact O-CG 3.25Å; L321-M325 PolarHBondContact O-N 2.88Å; N322-M325 PolarHBondContact O-N 2.9Å; M325-L328 HydrophobicContact SD-CD1 4.19Å; M325-A329 WeakPolarHBondContact O-CB 3.19Å; M325-A329 PolarHBondContact O-N 3.31Å; M325-A329 VanDerWaalsContact O-N 3.11Å; M325-M361 HydrophobicContact CE-CE 4.17Å; M325-M361 HydrophobicContact CE-SD 3.52Å; M325-M361 VanDerWaalsContact CE-SD 3.52Å; M325-L364 HydrophobicContact CB-CD2 4.05Å; M325-L364 HydrophobicContact CE-CD1 4.09Å; M325-L364 HydrophobicContact CE-CD2 3.7Å; M325-L364 HydrophobicContact CE-CG 4.47Å; M325-L364 HydrophobicContact CG-CD1 4.1Å; M325-L364 HydrophobicContact CG-CD2 4.33Å; M325-L365 HydrophobicContact CE-CD2 4.36Å; M325-F402 HydrophobicContact CE-CE1 4.44Å; M325-F402 HydrophobicContact CE-CZ 4.21Å; M325-F402 HydrophobicContact CG-CE1 4.34Å; M325-F402 HydrophobicContact SD-CE1 3.96Å; M325-F402 HydrophobicContact SD-CZ 4.05Å; M325-L428 HydrophobicContact SD-CD2 3.69Å
326Q97.3Very high92.1Very high3 Ų317.7 Ų17.71%0.01410%0.098CC..Hα-helixtrans-61.4-45.6171.2-71.7-64-2.700111.7T310 M312 N322 V324 A329 C707 L709 F718T310-Q326 PolarHBondContact O-NE2 2.66Å; M312-Q326 HydrophobicContact CE-CB 4.46Å; M312-Q326 HydrophobicContact CE-CG 3.5Å; M312-Q326 VanDerWaalsContact CE-CG 3.5Å; N322-Q326 WeakPolarHBondContact O-CG 3.08Å; N322-Q326 PolarHBondContact O-N 3.1Å; V324-Q326 PolarHBondContact O-N 2.79Å; Q326-A329 WeakPolarHBondContact O-CB 3.43Å; Q326-A329 PolarHBondContact O-N 3.1Å; Q326-C707 VanDerWaalsContact CB-SG 3.57Å; Q326-L709 HydrophobicContact CB-CD1 3.96Å; Q326-L709 VanDerWaalsContact O-CD1 3.32Å; Q326-L709 WeakPolarHBondContact O-CD1 3.49Å; Q326-F718 HydrophobicContact CB-CG 4.42Å; Q326-F718 HydrophobicContact CG-CB 3.92Å; Q326-F718 HydrophobicContact CG-CD1 3.94Å; Q326-F718 HydrophobicContact CG-CG 3.88Å; Q326-F718 VanDerWaalsContact NE2-CD1 3.27Å
327A97.5Very high93.3Very high2 Ų217.1 Ų17.12%0.0179%0.092CC..Hα-helixtrans-68-42-178.100000112S323 V324 A329 L330 W565 I693 L709S323-A327 WeakPolarHBondContact O-CB 3.46Å; S323-A327 PolarHBondContact O-N 2.99Å; S323-A327 VanDerWaalsContact O-N 3.13Å; V324-A327 PolarHBondContact O-N 2.99Å; A327-A329 VanDerWaalsContact C-N 3.28Å; A327-A329 PolarHBondContact O-N 3.02Å; A327-L330 WeakPolarHBondContact O-CB 3.49Å; A327-L330 PolarHBondContact O-N 3.42Å; A327-L330 VanDerWaalsContact O-N 3.11Å; A327-W565 HydrophobicContact CB-CH2 3.67Å; A327-W565 HydrophobicContact CB-CZ3 4.05Å; A327-I693 HydrophobicContact CB-CD1 4.5Å; A327-L709 HydrophobicContact CB-CD2 4.02Å
328L96.6Very high94.2Very high2 Ų216.1 Ų16.11%0.019%0.087CC..Hα-helixtrans-61-35.9173.9-84.1173.2000112.9V324 M325 L330 I331 V334 L428 F429 W451 W565V324-L328 HydrophobicContact CG1-CD1 3.94Å; V324-L328 HydrophobicContact CG1-CG 4.39Å; V324-L328 WeakPolarHBondContact O-CB 3.48Å; V324-L328 PolarHBondContact O-N 3.01Å; M325-L328 HydrophobicContact SD-CD1 4.19Å; L328-L330 PolarHBondContact O-N 3.28Å; L328-L330 VanDerWaalsContact O-N 3.13Å; L328-I331 HydrophobicContact CD2-CD1 4.17Å; L328-I331 PolarHBondContact O-N 3.4Å; L328-V334 HydrophobicContact CD2-CG2 4.44Å; L328-L428 HydrophobicContact CD1-CD2 3.36Å; L328-L428 HydrophobicContact CD1-CG 4.27Å; L328-F429 HydrophobicContact CD1-CE1 4.28Å; L328-F429 HydrophobicContact CD2-CE1 3.92Å; L328-F429 HydrophobicContact CG-CE1 4.45Å; L328-W451 HydrophobicContact CD2-CH2 4.12Å; L328-W451 HydrophobicContact CD2-CZ2 4.4Å; L328-W451 HydrophobicContact CD2-CZ3 4.49Å; L328-W565 HydrophobicContact CD2-CZ2 4.09Å; L328-W565 HydrophobicContact CG-CZ2 4.49Å
329A96Very high94.6Very high6 Ų617.5 Ų17.55%0.0510%0.095CC..THydrogen-bonded Turntrans-65-13.6177.900000113.3M325 Q326 A327 L365 L368 Q369M325-A329 WeakPolarHBondContact O-CB 3.19Å; M325-A329 PolarHBondContact O-N 3.31Å; M325-A329 VanDerWaalsContact O-N 3.11Å; Q326-A329 WeakPolarHBondContact O-CB 3.43Å; Q326-A329 PolarHBondContact O-N 3.1Å; A327-A329 VanDerWaalsContact C-N 3.28Å; A327-A329 PolarHBondContact O-N 3.02Å; A329-L365 HydrophobicContact CB-CD2 3.77Å; A329-L368 HydrophobicContact CB-CD1 4.04Å; A329-Q369 PolarHBondContact O-NE2 3.38Å
330L95Very high94.7Very high28 Ų2821.9 Ų21.915%0.14712%0.118CC..THydrogen-bonded Turntrans-75.7-23.8173.3-166.862.7000112.6A327 L328 P332 W563 R690 L709 K711 L738A327-L330 WeakPolarHBondContact O-CB 3.49Å; A327-L330 PolarHBondContact O-N 3.42Å; A327-L330 VanDerWaalsContact O-N 3.11Å; L328-L330 PolarHBondContact O-N 3.28Å; L328-L330 VanDerWaalsContact O-N 3.13Å; L330-P332 WeakPolarHBondContact O-CD 3.29Å; L330-W563 HydrophobicContact CD2-CZ3 4.4Å; L330-W563 HydrophobicContact CG-CH2 4.31Å; L330-R690 HydrophobicContact CD2-CB 3.82Å; L330-R690 WeakPolarHBondContact CD2-O 3.45Å; L330-L709 HydrophobicContact CD2-CD2 4.43Å; L330-K711 HydrophobicContact CD1-CG 4.04Å; L330-L738 HydrophobicContact CD2-CD2 4.23Å
331I95.2Very high94.7Very high0 Ų022.8 Ų22.80%012%0.123CC..  trans-78.9121.6-173.3-57.1-175.6000110.5L328 S333 V334 R335 W451 W563 W565L328-I331 HydrophobicContact CD2-CD1 4.17Å; L328-I331 PolarHBondContact O-N 3.4Å; I331-S333 VanDerWaalsContact CG2-OG 3.23Å; I331-S333 WeakPolarHBondContact CG2-OG 3.4Å; I331-S333 PolarHBondContact O-N 3.4Å; I331-V334 HydrophobicContact CB-CB 4.3Å; I331-V334 HydrophobicContact CB-CG2 3.94Å; I331-V334 HydrophobicContact CG2-CG2 4.1Å; I331-V334 WeakPolarHBondContact O-CB 3.3Å; I331-V334 PolarHBondContact O-N 2.88Å; I331-R335 PolarHBondContact O-N 3.49Å; I331-W451 HydrophobicContact CD1-CE3 3.71Å; I331-W451 HydrophobicContact CD1-CZ3 3.85Å; I331-W451 HydrophobicContact CG2-CE3 4.45Å; I331-W451 HydrophobicContact CG2-CZ3 4.2Å; I331-W563 HydrophobicContact CD1-CB 4.38Å; I331-W563 HydrophobicContact CD1-CD2 4.34Å; I331-W563 HydrophobicContact CD1-CG 4.25Å; I331-W563 HydrophobicContact CG1-CD2 3.95Å; I331-W563 HydrophobicContact CG1-CE3 4.11Å; I331-W563 HydrophobicContact CG1-CG 4.3Å; I331-W563 HydrophobicContact CG1-CZ3 4.47Å; I331-W563 HydrophobicContact CG2-CD2 4.32Å; I331-W563 HydrophobicContact CG2-CG 4.21Å; I331-W565 HydrophobicContact CD1-CZ2 3.87Å
332P93.3Very high94.7Very high68 Ų6823.1 Ų23.144%0.44213%0.126SC..Hα-helixtrans-60.1-38.6-176.6-27.735.6000114.7L330 V334 R335 T336 W563L330-P332 WeakPolarHBondContact O-CD 3.29Å; P332-V334 VanDerWaalsContact C-N 3.31Å; P332-V334 PolarHBondContact O-N 2.74Å; P332-R335 PolarHBondContact O-N 3.29Å; P332-T336 PolarHBondContact O-N 2.91Å; P332-T336 PolarHBondContact O-OG1 3.31Å; P332-W563 VanDerWaalsContact CD-CZ2 3.4Å; P332-W563 HydrophobicContact CG-CZ2 4.31Å
333S91.6Very high94.5Very high28 Ų2830.3 Ų30.320%0.19615%0.153CC..Hα-helixtrans-60.7-41.2178.757.10000111.8I331 T336 V337 S450I331-S333 VanDerWaalsContact CG2-OG 3.23Å; I331-S333 WeakPolarHBondContact CG2-OG 3.4Å; I331-S333 PolarHBondContact O-N 3.4Å; S333-T336 PolarHBondContact O-N 3Å; S333-V337 WeakPolarHBondContact O-CG2 3.24Å; S333-V337 PolarHBondContact O-N 3.09Å; S333-S450 PolarHBondContact OG-OG 3.17Å
334V94.1Very high94.2Very high2 Ų235.5 Ų35.51%0.01218%0.175CC..Hα-helixtrans-62.6-47.3175.5175.80000110.4L328 I331 P332 T336 V337 Y338 L365 V447 W451L328-V334 HydrophobicContact CD2-CG2 4.44Å; I331-V334 HydrophobicContact CB-CB 4.3Å; I331-V334 HydrophobicContact CB-CG2 3.94Å; I331-V334 HydrophobicContact CG2-CG2 4.1Å; I331-V334 WeakPolarHBondContact O-CB 3.3Å; I331-V334 PolarHBondContact O-N 2.88Å; P332-V334 VanDerWaalsContact C-N 3.31Å; P332-V334 PolarHBondContact O-N 2.74Å; V334-T336 PolarHBondContact O-N 3.24Å; V334-V337 PolarHBondContact O-N 3.5Å; V334-Y338 HydrophobicContact CG1-CD2 4.11Å; V334-Y338 PolarHBondContact O-N 2.7Å; V334-L365 HydrophobicContact CG1-CD1 3.53Å; V334-L365 HydrophobicContact CG1-CD2 4.27Å; V334-V447 HydrophobicContact CG2-CB 4.37Å; V334-W451 HydrophobicContact CG2-CH2 3.74Å; V334-W451 HydrophobicContact CG2-CZ3 3.64Å
335R93.1Very high93.9Very high122 Ų12235.5 Ų35.546%0.4618%0.175SC..Hα-helixtrans-59.5-47176.3-179.9179.9170.6164.2-0.1111.7I331 P332 V337 V339 D340I331-R335 PolarHBondContact O-N 3.49Å; P332-R335 PolarHBondContact O-N 3.29Å; R335-V337 VanDerWaalsContact C-N 3.34Å; R335-V337 PolarHBondContact O-N 3Å; R335-V339 HydrophobicContact CG-CB 3.97Å; R335-V339 HydrophobicContact CG-CG1 4.5Å; R335-V339 HydrophobicContact CG-CG2 4.18Å; R335-V339 WeakPolarHBondContact O-CA 3.27Å; R335-V339 WeakPolarHBondContact O-CB 3.49Å; R335-V339 PolarHBondContact O-N 2.98Å; R335-D340 PolarHBondContact O-N 3.39Å
336T92Very high93.7Very high61 Ų6136.1 Ų36.137%0.37418%0.177SC..Iπ-helixtrans-62.3-41.1-179.5-64.30000112.4P332 S333 V334 D340 N341P332-T336 PolarHBondContact O-N 2.91Å; P332-T336 PolarHBondContact O-OG1 3.31Å; S333-T336 PolarHBondContact O-N 3Å; V334-T336 PolarHBondContact O-N 3.24Å; T336-D340 WeakPolarHBondContact CA-OD2 3.3Å; T336-D340 PolarHBondContact OG1-OD2 3.19Å; T336-N341 PolarHBondContact O-ND2 2.94Å
337V92.1Very high93.3Very high1 Ų138.9 Ų38.91%0.00619%0.192CC..Iπ-helixtrans-72.6-48.6179.8172.90000111.7S333 V334 R335 N341 I345 L439 L445 V447S333-V337 WeakPolarHBondContact O-CG2 3.24Å; S333-V337 PolarHBondContact O-N 3.09Å; V334-V337 PolarHBondContact O-N 3.5Å; R335-V337 VanDerWaalsContact C-N 3.34Å; R335-V337 PolarHBondContact O-N 3Å; V337-N341 WeakPolarHBondContact O-CB 3.47Å; V337-I345 WeakPolarHBondContact O-CD1 3.35Å; V337-L439 HydrophobicContact CG1-CD1 3.66Å; V337-L445 HydrophobicContact CG2-CB 4.07Å; V337-V447 HydrophobicContact CB-CG1 3.88Å; V337-V447 HydrophobicContact CG1-CG1 4.42Å; V337-V447 HydrophobicContact CG2-CG1 3.52Å
338Y94.3Very high92.9Very high0 Ų041.7 Ų41.70%021%0.212CC..Iπ-helixtrans-98.2-25.4-168.4-69.8-71000115V334 A342 I345 M361 A362 L365V334-Y338 HydrophobicContact CG1-CD2 4.11Å; V334-Y338 PolarHBondContact O-N 2.7Å; Y338-A342 WeakPolarHBondContact O-CB 3.3Å; Y338-I345 HydrophobicContact CD1-CD1 4.09Å; Y338-M361 HydrophobicContact CD1-CB 3.9Å; Y338-M361 HydrophobicContact CD1-CG 3.5Å; Y338-M361 HydrophobicContact CD2-CG 3.95Å; Y338-M361 HydrophobicContact CE1-CB 3.85Å; Y338-M361 HydrophobicContact CE1-CG 3.51Å; Y338-M361 HydrophobicContact CE2-CG 3.95Å; Y338-M361 HydrophobicContact CG-CG 3.74Å; Y338-A362 HydrophobicContact CD1-CB 4.47Å; Y338-A362 WeakPolarHBondContact O-CA 3.4Å; Y338-A362 VanDerWaalsContact O-CB 3.23Å; Y338-A362 WeakPolarHBondContact O-CB 3.49Å; Y338-L365 VanDerWaalsContact CB-CD1 3.43Å; Y338-L365 HydrophobicContact CD2-CD1 3.89Å; Y338-L365 HydrophobicContact CG-CD1 3.84Å
339V94.5Very high92.5Very high29 Ų2941.7 Ų41.718%0.17621%0.212CC..Iπ-helixtrans-99.4-55.6-178.7-176.60000110.5R335 N341 A342 L365 Q369R335-V339 HydrophobicContact CG-CB 3.97Å; R335-V339 HydrophobicContact CG-CG1 4.5Å; R335-V339 HydrophobicContact CG-CG2 4.18Å; R335-V339 WeakPolarHBondContact O-CA 3.27Å; R335-V339 WeakPolarHBondContact O-CB 3.49Å; R335-V339 PolarHBondContact O-N 2.98Å; V339-N341 PolarHBondContact O-N 2.71Å; V339-A342 VanDerWaalsContact O-CB 3.3Å; V339-A342 WeakPolarHBondContact O-CB 3.48Å; V339-A342 PolarHBondContact O-N 3.31Å; V339-A342 VanDerWaalsContact O-N 3.15Å; V339-L365 HydrophobicContact CG2-CB 3.66Å; V339-Q369 HydrophobicContact CG1-CB 4.28Å; V339-Q369 HydrophobicContact CG2-CG 4.16Å
340D93.3Very high91.8Very high98 Ų9848.8 Ų48.852%0.52424%0.244SC..Iπ-helixtrans-66.8-27.5-175.6-57.6-18000111.8R335 T336R335-D340 PolarHBondContact O-N 3.39Å; T336-D340 WeakPolarHBondContact CA-OD2 3.3Å; T336-D340 PolarHBondContact OG1-OD2 3.19Å
341N92.6Very high91.2Very high20 Ų2055 Ų5511%0.10727%0.267CS..THydrogen-bonded Turntrans-105.211.3176.3-66-74.9000114.2T336 V337 V339 R343 K344 I345 F443T336-N341 PolarHBondContact O-ND2 2.94Å; V337-N341 WeakPolarHBondContact O-CB 3.47Å; V339-N341 PolarHBondContact O-N 2.71Å; N341-R343 VanDerWaalsContact C-N 3.32Å; N341-R343 PolarHBondContact O-N 3.49Å; N341-K344 WeakPolarHBondContact O-CA 3.39Å; N341-K344 WeakPolarHBondContact O-CB 3.49Å; N341-K344 PolarHBondContact O-N 3.16Å; N341-K344 PolarHBondContact OD1-NZ 3.46Å; N341-I345 PolarHBondContact O-N 3.37Å; N341-I345 VanDerWaalsContact O-N 3.11Å; N341-F443 HydrophobicContact CB-CB 4.4Å; N341-F443 HydrophobicContact CB-CD2 4.13Å; N341-F443 HydrophobicContact CB-CG 4.11Å
342A92.9Very high90.9Very high7 Ų757 Ų576%0.05828%0.277CS..Hα-helixtrans-50.6-46.7-176.200000113.5Y338 V339 K344 I345 F346 A362 C366Y338-A342 WeakPolarHBondContact O-CB 3.3Å; V339-A342 VanDerWaalsContact O-CB 3.3Å; V339-A342 WeakPolarHBondContact O-CB 3.48Å; V339-A342 PolarHBondContact O-N 3.31Å; V339-A342 VanDerWaalsContact O-N 3.15Å; A342-K344 VanDerWaalsContact C-N 3.27Å; A342-K344 PolarHBondContact O-N 3.06Å; A342-I345 WeakPolarHBondContact O-CB 3.24Å; A342-I345 PolarHBondContact O-N 3.43Å; A342-I345 VanDerWaalsContact O-N 3.08Å; A342-F346 HydrophobicContact CB-CE2 3.97Å; A342-F346 HydrophobicContact CB-CZ 3.94Å; A342-F346 WeakPolarHBondContact O-CD1 3.29Å; A342-F346 WeakPolarHBondContact O-CD2 3.45Å; A342-F346 WeakPolarHBondContact O-CG 3.41Å; A342-F346 PolarHBondContact O-N 3.4Å; A342-A362 HydrophobicContact CB-CB 4.28Å; A342-C366 WeakPolarHBondContact CB-SG 3.32Å
343R91.5Very high90.8Very high157 Ų15753.9 Ų53.959%0.59226%0.257SS*.Hα-helixtrans-61.1-34.5178.9-169.9176-174.5-167.81.3113D52 N341 N347D52-R343 IonicContact OD1-NE 3.49Å; D52-R343 IonicContact OD1-NH2 2.97Å; N341-R343 VanDerWaalsContact C-N 3.32Å; N341-R343 PolarHBondContact O-N 3.49Å; R343-N347 WeakPolarHBondContact O-CB 3.33Å; R343-N347 VanDerWaalsContact O-CG 3.28Å; R343-N347 PolarHBondContact O-N 3.37Å; R343-N347 VanDerWaalsContact O-N 3.08Å; R343-N347 PolarHBondContact O-ND2 3.45Å
344K90.6Very high90.7Very high111 Ų11152.9 Ų52.948%0.48325%0.25SC..Hα-helixtrans-69.9-41.1176-62.6179.5-169.9156.60110.5N341 A342 N347 S348 F443N341-K344 WeakPolarHBondContact O-CA 3.39Å; N341-K344 WeakPolarHBondContact O-CB 3.49Å; N341-K344 PolarHBondContact O-N 3.16Å; N341-K344 PolarHBondContact OD1-NZ 3.46Å; A342-K344 VanDerWaalsContact C-N 3.27Å; A342-K344 PolarHBondContact O-N 3.06Å; K344-N347 PolarHBondContact O-N 3.34Å; K344-S348 PolarHBondContact O-N 2.87Å; K344-S348 PolarHBondContact O-OG 2.88Å; K344-F443 HydrophobicContact CB-CE1 3.84Å; K344-F443 HydrophobicContact CB-CZ 3.83Å; K344-F443 HydrophobicContact CD-CD1 3.83Å; K344-F443 HydrophobicContact CD-CE1 3.56Å; K344-F443 HydrophobicContact CD-CZ 4.37Å; K344-F443 HydrophobicContact CG-CE1 4.35Å
345I91.6Very high90.4Very high1 Ų157.4 Ų57.41%0.00527%0.271CS..Hα-helixtrans-60.4-46.8175.4-63.3172.1000110.4V337 Y338 N341 A342 N347 S348 C349 N358 V359 A362 L439 F443V337-I345 WeakPolarHBondContact O-CD1 3.35Å; Y338-I345 HydrophobicContact CD1-CD1 4.09Å; N341-I345 PolarHBondContact O-N 3.37Å; N341-I345 VanDerWaalsContact O-N 3.11Å; A342-I345 WeakPolarHBondContact O-CB 3.24Å; A342-I345 PolarHBondContact O-N 3.43Å; A342-I345 VanDerWaalsContact O-N 3.08Å; I345-N347 VanDerWaalsContact C-N 3.32Å; I345-N347 PolarHBondContact O-N 3.31Å; I345-S348 WeakPolarHBondContact CA-OG 3.41Å; I345-S348 PolarHBondContact O-N 2.74Å; I345-S348 PolarHBondContact O-OG 2.69Å; I345-C349 PolarHBondContact O-N 2.76Å; I345-N358 HydrophobicContact CG2-CB 3.87Å; I345-V359 HydrophobicContact CG2-CG2 4.08Å; I345-A362 HydrophobicContact CD1-CB 4.05Å; I345-A362 HydrophobicContact CG2-CB 4.37Å; I345-L439 HydrophobicContact CD1-CD2 4.14Å; I345-L439 HydrophobicContact CG1-CD2 3.94Å; I345-F443 HydrophobicContact CG1-CE2 4.15Å
346F92.3Very high90.3Very high12 Ų1252.8 Ų52.85%0.05326%0.255CS..Hα-helixtrans-61.8-40.9178.2-56.9-23.7000112F24 A342 S348 C349 V359 A362F24-F346 HydrophobicContact CB-CD1 4.49Å; F24-F346 HydrophobicContact CB-CD2 4.01Å; F24-F346 HydrophobicContact CB-CE1 4.38Å; F24-F346 HydrophobicContact CB-CE2 3.9Å; F24-F346 HydrophobicContact CB-CG 4.32Å; F24-F346 HydrophobicContact CB-CZ 4.09Å; F24-F346 HydrophobicContact CD1-CB 4.11Å; F24-F346 AromaticContact CD1-CD1 3.61Å; F24-F346 HydrophobicContact CD1-CD1 3.61Å; F24-F346 HydrophobicContact CD1-CD2 4.31Å; F24-F346 HydrophobicContact CD1-CE1 4.06Å; F24-F346 AromaticContact CD1-CG 3.75Å; F24-F346 HydrophobicContact CD1-CG 3.75Å; F24-F346 HydrophobicContact CD2-CB 4.37Å; F24-F346 HydrophobicContact CD2-CD2 4.46Å; F24-F346 HydrophobicContact CD2-CG 4.39Å; F24-F346 HydrophobicContact CE1-CB 3.95Å; F24-F346 HydrophobicContact CE1-CD1 4.03Å; F24-F346 HydrophobicContact CE1-CG 4.1Å; F24-F346 HydrophobicContact CE2-CB 4.28Å; F24-F346 HydrophobicContact CG-CB 4.33Å; F24-F346 HydrophobicContact CG-CD1 4.17Å; F24-F346 HydrophobicContact CG-CD2 4.04Å; F24-F346 HydrophobicContact CG-CE2 4.4Å; F24-F346 AromaticContact CG-CG 3.93Å; F24-F346 HydrophobicContact CG-CG 3.93Å; F24-F346 HydrophobicContact CZ-CB 4.07Å; A342-F346 HydrophobicContact CB-CE2 3.97Å; A342-F346 HydrophobicContact CB-CZ 3.94Å; A342-F346 WeakPolarHBondContact O-CD1 3.29Å; A342-F346 WeakPolarHBondContact O-CD2 3.45Å; A342-F346 WeakPolarHBondContact O-CG 3.41Å; A342-F346 PolarHBondContact O-N 3.4Å; F346-S348 VanDerWaalsContact C-N 3.29Å; F346-S348 PolarHBondContact O-N 2.79Å; F346-C349 WeakPolarHBondContact O-CB 3.21Å; F346-C349 PolarHBondContact O-N 2.77Å; F346-V359 HydrophobicContact CD1-CG1 4.04Å; F346-V359 HydrophobicContact CD1-CG2 4.4Å; F346-V359 HydrophobicContact CE1-CG1 4.21Å; F346-A362 HydrophobicContact CE1-CB 3.76Å; F346-A362 HydrophobicContact CZ-CB 4.2Å
347N90.2Very high90.3Very high62 Ų6250.4 Ų50.433%0.33224%0.24SC..Hα-helixtrans-74.8-14.7178.6-73.3-25.3000114.2D52 V56 R343 K344 I345D52-N347 PolarHBondContact OD1-OD1 2.82Å; V56-N347 WeakPolarHBondContact CG2-O 3.4Å; R343-N347 WeakPolarHBondContact O-CB 3.33Å; R343-N347 VanDerWaalsContact O-CG 3.28Å; R343-N347 PolarHBondContact O-N 3.37Å; R343-N347 VanDerWaalsContact O-N 3.08Å; R343-N347 PolarHBondContact O-ND2 3.45Å; K344-N347 PolarHBondContact O-N 3.34Å; I345-N347 VanDerWaalsContact C-N 3.32Å; I345-N347 PolarHBondContact O-N 3.31Å
348S87.8Confident90.4Very high60 Ų6051 Ų5142%0.4224%0.242SC..THydrogen-bonded Turntrans-96.4317559.90000113.8K344 I345 F346 E350K344-S348 PolarHBondContact O-N 2.87Å; K344-S348 PolarHBondContact O-OG 2.88Å; I345-S348 WeakPolarHBondContact CA-OG 3.41Å; I345-S348 PolarHBondContact O-N 2.74Å; I345-S348 PolarHBondContact O-OG 2.69Å; F346-S348 VanDerWaalsContact C-N 3.29Å; F346-S348 PolarHBondContact O-N 2.79Å; S348-E350 PolarHBondContact O-N 3.37Å
349C88.1Confident90.4Very high3 Ų351 Ų512%0.0224%0.242CC..  trans-71101.4-175.7-173.10000112.2V56 I345 F346 Y351 D356 V359V56-C349 WeakPolarHBondContact CG1-O 3.41Å; I345-C349 PolarHBondContact O-N 2.76Å; F346-C349 WeakPolarHBondContact O-CB 3.21Å; F346-C349 PolarHBondContact O-N 2.77Å; C349-Y351 PolarHBondContact SG-O 3Å; C349-Y351 VanDerWaalsContact SG-O 3.36Å; C349-D356 PolarHBondContact SG-OD2 2.95Å; C349-D356 VanDerWaalsContact SG-OD2 3.32Å; C349-V359 HydrophobicContact CB-CG2 3.78Å
350E82.9Confident90.4Very high155 Ų15549.6 Ų49.672%0.72423%0.234SC*.  trans-75.9-31.2177.2-66.1-172.1170.300112.8K57 S348K57-E350 VanDerWaalsContact NZ-C 3.27Å; K57-E350 PolarHBondContact NZ-O 2.76Å; S348-E350 PolarHBondContact O-N 3.37Å
351Y80.7Confident90.5Very high158 Ų15845 Ų4562%0.6221%0.209SC*.SBendtrans-93.7-169.5-177.9-57.7-75.5000112.4K57 C349K57-Y351 WeakPolarHBondContact CE-O 3.5Å; K57-Y351 PolarHBondContact NZ-O 2.65Å; C349-Y351 PolarHBondContact SG-O 3Å; C349-Y351 VanDerWaalsContact SG-O 3.36Å
352L89Confident90.6Very high42 Ų4244 Ų4422%0.2220%0.204CC..  trans-68.5130.5169.8-16267.2000108.5F18 C41 V43 T354 E355 D356F18-L352 HydrophobicContact CE2-CD2 4.04Å; C41-L352 HydrophobicContact CB-CD1 3.86Å; V43-L352 HydrophobicContact CG2-CD1 3.5Å; V43-L352 VanDerWaalsContact CG2-CD1 3.5Å; V43-L352 HydrophobicContact CG2-CD2 4.01Å; V43-L352 HydrophobicContact CG2-CG 3.83Å; L352-T354 VanDerWaalsContact CD2-OG1 3.25Å; L352-T354 WeakPolarHBondContact CD2-OG1 3.46Å; L352-T354 WeakPolarHBondContact CG-OG1 3.28Å; L352-T354 PolarHBondContact O-N 3.14Å; L352-T354 VanDerWaalsContact O-N 3.07Å; L352-E355 HydrophobicContact CB-CB 4.28Å; L352-E355 HydrophobicContact CB-CG 4.16Å; L352-E355 HydrophobicContact CD2-CG 4.36Å; L352-E355 WeakPolarHBondContact O-CA 3.3Å; L352-E355 PolarHBondContact O-N 2.89Å; L352-D356 PolarHBondContact O-N 3.14Å
353P91.9Very high90.8Very high2 Ų243.7 Ų43.71%0.01320%0.202CC..G310 helixtrans-52.7-33.5-179.3-34.339.6000114.8A23 F24 F45 E355 D356 V359 Q360A23-P353 HydrophobicContact CB-CB 3.8Å; A23-P353 HydrophobicContact CB-CG 4.35Å; F24-P353 HydrophobicContact CD1-CB 4.4Å; F24-P353 HydrophobicContact CE1-CB 3.73Å; F24-P353 HydrophobicContact CE1-CG 3.88Å; F24-P353 HydrophobicContact CZ-CB 4.33Å; F24-P353 HydrophobicContact CZ-CG 3.97Å; F45-P353 HydrophobicContact CE1-CG 4.42Å; F45-P353 HydrophobicContact CZ-CG 4.34Å; P353-E355 PolarHBondContact O-N 3.08Å; P353-D356 PolarHBondContact O-N 3.22Å; P353-V359 HydrophobicContact CB-CG1 4.08Å; P353-V359 WeakPolarHBondContact O-CG1 3.41Å; P353-Q360 PolarHBondContact O-NE2 2.95Å
354T88.7Confident91.1Very high7 Ų736.2 Ų36.24%0.04317%0.173CC..G310 helixtrans-75.3-12.4178.651.50000113.6F18 V43 L352F18-T354 HydrophobicContact CB-CG2 4.42Å; F18-T354 HydrophobicContact CD1-CG2 3.77Å; F18-T354 HydrophobicContact CD2-CG2 4.09Å; F18-T354 HydrophobicContact CE1-CG2 3.92Å; F18-T354 HydrophobicContact CE2-CG2 4.24Å; F18-T354 VanDerWaalsContact CE2-OG1 3.29Å; F18-T354 WeakPolarHBondContact CE2-OG1 3.26Å; F18-T354 HydrophobicContact CG-CG2 3.84Å; F18-T354 HydrophobicContact CZ-CG2 4.15Å; F18-T354 WeakPolarHBondContact CZ-OG1 3.21Å; V43-T354 HydrophobicContact CG1-CG2 4.47Å; L352-T354 VanDerWaalsContact CD2-OG1 3.25Å; L352-T354 WeakPolarHBondContact CD2-OG1 3.46Å; L352-T354 WeakPolarHBondContact CG-OG1 3.28Å; L352-T354 PolarHBondContact O-N 3.14Å; L352-T354 VanDerWaalsContact O-N 3.07Å
355E88.1Confident91.4Very high98 Ų9831 Ų3146%0.45815%0.151SC..G310 helixtrans-107.90.3176.8-61-167.3130.100113L352 P353 L405 R408L352-E355 HydrophobicContact CB-CB 4.28Å; L352-E355 HydrophobicContact CB-CG 4.16Å; L352-E355 HydrophobicContact CD2-CG 4.36Å; L352-E355 WeakPolarHBondContact O-CA 3.3Å; L352-E355 PolarHBondContact O-N 2.89Å; P353-E355 PolarHBondContact O-N 3.08Å; E355-L405 WeakPolarHBondContact O-CD1 3.27Å; E355-R408 IonicContact OE1-NH1 2.86Å; E355-R408 PolarHBondContact OE1-NH1 3.2Å
356D91.3Very high91.6Very high24 Ų2432.3 Ų32.313%0.12816%0.16CC..  trans-99.3117.1-179.5-176.5-38.3000110.8C349 L352 P353 N358 V359 Q360 L405C349-D356 PolarHBondContact SG-OD2 2.95Å; C349-D356 VanDerWaalsContact SG-OD2 3.32Å; L352-D356 PolarHBondContact O-N 3.14Å; P353-D356 PolarHBondContact O-N 3.22Å; D356-N358 PolarHBondContact O-N 2.84Å; D356-N358 PolarHBondContact OD1-N 2.89Å; D356-V359 HydrophobicContact CB-CB 3.9Å; D356-V359 HydrophobicContact CB-CG2 3.83Å; D356-V359 PolarHBondContact O-N 2.84Å; D356-V359 PolarHBondContact OD1-N 3.44Å; D356-V359 VanDerWaalsContact OD1-N 3.13Å; D356-Q360 PolarHBondContact O-N 3.05Å; D356-L405 VanDerWaalsContact C-CD2 3.41Å; D356-L405 WeakPolarHBondContact O-CD2 3.2Å
357F92.7Very high91.8Very high12 Ų1231.9 Ų31.95%0.05316%0.158CC..Hα-helixtrans-60.1-45.4-175.4176.2-90000111.9V359 Q360 M361 F402 L405 I406 L428 K431 I432 N435F357-V359 VanDerWaalsContact C-N 3.32Å; F357-V359 PolarHBondContact O-N 3.4Å; F357-Q360 PolarHBondContact O-N 2.8Å; F357-M361 HydrophobicContact CE1-CB 4.39Å; F357-M361 HydrophobicContact CZ-CE 4.2Å; F357-M361 VanDerWaalsContact O-CB 3.23Å; F357-M361 WeakPolarHBondContact O-CB 3.4Å; F357-M361 PolarHBondContact O-N 3.48Å; F357-F402 HydrophobicContact CE2-CE2 4.36Å; F357-L405 HydrophobicContact CB-CD2 4.38Å; F357-I406 HydrophobicContact CE2-CD1 4.38Å; F357-I406 HydrophobicContact CE2-CG1 4.42Å; F357-L428 HydrophobicContact CZ-CD1 4.4Å; F357-K431 HydrophobicContact CE2-CB 3.82Å; F357-K431 HydrophobicContact CZ-CB 4.05Å; F357-I432 HydrophobicContact CE1-CG1 4.19Å; F357-I432 HydrophobicContact CZ-CG1 3.89Å; F357-N435 HydrophobicContact CB-CB 4.11Å; F357-N435 WeakPolarHBondContact CB-OD1 3.47Å; F357-N435 HydrophobicContact CD1-CB 3.35Å; F357-N435 HydrophobicContact CE1-CB 3.98Å; F357-N435 HydrophobicContact CG-CB 3.89Å
358N92.9Very high92Very high12 Ų1229 Ų296%0.06414%0.143CC..Hα-helixtrans-69.2-36.5-175.9-70.9-50.1000110.7I345 D356 A362 N435 L439I345-N358 HydrophobicContact CG2-CB 3.87Å; D356-N358 PolarHBondContact O-N 2.84Å; D356-N358 PolarHBondContact OD1-N 2.89Å; N358-A362 WeakPolarHBondContact O-CB 3.29Å; N358-A362 PolarHBondContact O-N 2.87Å; N358-N435 PolarHBondContact ND2-O 3.33Å; N358-L439 HydrophobicContact CB-CD2 3.93Å
359V94Very high92.4Very high0 Ų027.6 Ų27.60%013%0.13CC..Hα-helixtrans-63.6-48.4173.7172.10000111.3F24 I345 F346 C349 P353 D356 F357 A362 K363F24-V359 HydrophobicContact CD1-CG1 3.64Å; F24-V359 HydrophobicContact CE1-CG1 3.68Å; I345-V359 HydrophobicContact CG2-CG2 4.08Å; F346-V359 HydrophobicContact CD1-CG1 4.04Å; F346-V359 HydrophobicContact CD1-CG2 4.4Å; F346-V359 HydrophobicContact CE1-CG1 4.21Å; C349-V359 HydrophobicContact CB-CG2 3.78Å; P353-V359 HydrophobicContact CB-CG1 4.08Å; P353-V359 WeakPolarHBondContact O-CG1 3.41Å; D356-V359 HydrophobicContact CB-CB 3.9Å; D356-V359 HydrophobicContact CB-CG2 3.83Å; D356-V359 PolarHBondContact O-N 2.84Å; D356-V359 PolarHBondContact OD1-N 3.44Å; D356-V359 VanDerWaalsContact OD1-N 3.13Å; F357-V359 VanDerWaalsContact C-N 3.32Å; F357-V359 PolarHBondContact O-N 3.4Å; V359-A362 PolarHBondContact O-N 3.22Å; V359-K363 WeakPolarHBondContact O-CB 3.3Å; V359-K363 PolarHBondContact O-N 2.85Å
360Q94.8Very high92.6Very high0 Ų029.6 Ų29.60%014%0.144CC..Hα-helixtrans-68.4-36.2-179.4-67.1-51.4-49.400112.5A23 P353 D356 F357 K363 L364 F402 L405A23-Q360 PolarHBondContact O-NE2 3.36Å; P353-Q360 PolarHBondContact O-NE2 2.95Å; D356-Q360 PolarHBondContact O-N 3.05Å; F357-Q360 PolarHBondContact O-N 2.8Å; Q360-K363 PolarHBondContact O-N 3.48Å; Q360-L364 WeakPolarHBondContact O-CB 3.49Å; Q360-L364 PolarHBondContact O-N 3.11Å; Q360-F402 HydrophobicContact CB-CB 4.35Å; Q360-F402 HydrophobicContact CB-CD2 4Å; Q360-L405 HydrophobicContact CB-CD2 4.05Å; Q360-L405 HydrophobicContact CG-CD2 3.73Å
361M95.4Very high92.9Very high1 Ų122.7 Ų22.71%0.00512%0.115CC..Hα-helixtrans-62.7-47.5172.9-175.761.3121.600111.5M325 Y338 F357 L364 L365 F402 L428 I432M325-M361 HydrophobicContact CE-CE 4.17Å; M325-M361 HydrophobicContact CE-SD 3.52Å; M325-M361 VanDerWaalsContact CE-SD 3.52Å; Y338-M361 HydrophobicContact CD1-CB 3.9Å; Y338-M361 HydrophobicContact CD1-CG 3.5Å; Y338-M361 HydrophobicContact CD2-CG 3.95Å; Y338-M361 HydrophobicContact CE1-CB 3.85Å; Y338-M361 HydrophobicContact CE1-CG 3.51Å; Y338-M361 HydrophobicContact CE2-CG 3.95Å; Y338-M361 HydrophobicContact CG-CG 3.74Å; F357-M361 HydrophobicContact CE1-CB 4.39Å; F357-M361 HydrophobicContact CZ-CE 4.2Å; F357-M361 VanDerWaalsContact O-CB 3.23Å; F357-M361 WeakPolarHBondContact O-CB 3.4Å; F357-M361 PolarHBondContact O-N 3.48Å; M361-L364 PolarHBondContact O-N 2.91Å; M361-L365 HydrophobicContact CG-CD1 3.98Å; M361-L365 WeakPolarHBondContact O-CG 3.48Å; M361-L365 PolarHBondContact O-N 3.42Å; M361-L365 HydrophobicContact SD-CD1 3.91Å; M361-L365 HydrophobicContact SD-CG 4.38Å; M361-F402 HydrophobicContact CB-CE2 4.27Å; M361-F402 HydrophobicContact SD-CE2 3.95Å; M361-F402 HydrophobicContact SD-CZ 4.19Å; M361-L428 HydrophobicContact CE-CD1 4.04Å; M361-I432 HydrophobicContact CE-CD1 3.52Å; M361-I432 HydrophobicContact CE-CG1 3.57Å
362A95.5Very high93.3Very high0 Ų018.7 Ų18.70%010%0.104CC..Hα-helixtrans-62.3-45.517600000112.1Y338 A342 I345 F346 N358 V359 L364 L365 C366Y338-A362 HydrophobicContact CD1-CB 4.47Å; Y338-A362 WeakPolarHBondContact O-CA 3.4Å; Y338-A362 VanDerWaalsContact O-CB 3.23Å; Y338-A362 WeakPolarHBondContact O-CB 3.49Å; A342-A362 HydrophobicContact CB-CB 4.28Å; I345-A362 HydrophobicContact CD1-CB 4.05Å; I345-A362 HydrophobicContact CG2-CB 4.37Å; F346-A362 HydrophobicContact CE1-CB 3.76Å; F346-A362 HydrophobicContact CZ-CB 4.2Å; N358-A362 WeakPolarHBondContact O-CB 3.29Å; N358-A362 PolarHBondContact O-N 2.87Å; V359-A362 PolarHBondContact O-N 3.22Å; A362-L364 PolarHBondContact O-N 2.77Å; A362-L365 PolarHBondContact O-N 2.96Å; A362-C366 VanDerWaalsContact O-CB 3.22Å; A362-C366 WeakPolarHBondContact O-CB 3.37Å; A362-C366 PolarHBondContact O-N 3.13Å; A362-C366 PolarHBondContact O-SG 3.11Å
363K96.7Very high93.3Very high0 Ų018.3 Ų18.30%010%0.1CC..Hα-helixtrans-53.9-50.4174.7171.8-176.7173.2173.40111.4E21 C22 A23 C25 Y26 V359 Q360 G367E21-K363 VanDerWaalsContact CD-NZ 3.28Å; E21-K363 IonicContact OE1-NZ 3.58Å; E21-K363 PolarHBondContact OE1-NZ 3.05Å; E21-K363 IonicContact OE2-NZ 3.14Å; C22-K363 WeakPolarHBondContact O-CE 3.24Å; C22-K363 PolarHBondContact O-NZ 2.93Å; A23-K363 WeakPolarHBondContact O-CD 3.4Å; C25-K363 VanDerWaalsContact O-CE 3.23Å; C25-K363 WeakPolarHBondContact O-CE 3.36Å; Y26-K363 HydrophobicContact CE2-CG 4.03Å; V359-K363 WeakPolarHBondContact O-CB 3.3Å; V359-K363 PolarHBondContact O-N 2.85Å; Q360-K363 PolarHBondContact O-N 3.48Å; K363-G367 PolarHBondContact O-N 3.13Å
364L97.1Very high93.2Very high0 Ų018.7 Ų18.70%010%0.103CC..Hα-helixtrans-61.2-53.2-178.4-172.3161.3000110.9Y26 M312 M325 Q360 M361 A362 C366 G367 L368 P399 F402Y26-L364 WeakPolarHBondContact OH-CA 3.42Å; M312-L364 HydrophobicContact SD-CD2 4.5Å; M325-L364 HydrophobicContact CB-CD2 4.05Å; M325-L364 HydrophobicContact CE-CD1 4.09Å; M325-L364 HydrophobicContact CE-CD2 3.7Å; M325-L364 HydrophobicContact CE-CG 4.47Å; M325-L364 HydrophobicContact CG-CD1 4.1Å; M325-L364 HydrophobicContact CG-CD2 4.33Å; Q360-L364 WeakPolarHBondContact O-CB 3.49Å; Q360-L364 PolarHBondContact O-N 3.11Å; M361-L364 PolarHBondContact O-N 2.91Å; A362-L364 PolarHBondContact O-N 2.77Å; L364-C366 PolarHBondContact O-N 3.37Å; L364-G367 WeakPolarHBondContact O-CA 3.16Å; L364-G367 PolarHBondContact O-N 3.06Å; L364-L368 HydrophobicContact CD2-CD1 3.6Å; L364-L368 HydrophobicContact CD2-CG 4.06Å; L364-L368 PolarHBondContact O-N 3.36Å; L364-P399 HydrophobicContact CD1-CB 3.63Å; L364-P399 HydrophobicContact CD1-CG 4.44Å; L364-P399 HydrophobicContact CG-CB 4.23Å; L364-F402 HydrophobicContact CD1-CB 3.99Å; L364-F402 HydrophobicContact CD1-CD1 3.55Å; L364-F402 HydrophobicContact CD1-CD2 4.29Å; L364-F402 HydrophobicContact CD1-CE1 4.06Å; L364-F402 HydrophobicContact CD1-CG 3.68Å
365L97.3Very high92.6Very high2 Ų223.4 Ų23.41%0.0112%0.12CC..Hα-helixtrans-66-37-177.2-68.9168.1000112.1M325 A329 V334 Y338 V339 M361 A362 G367 L368 Q369M325-L365 HydrophobicContact CE-CD2 4.36Å; A329-L365 HydrophobicContact CB-CD2 3.77Å; V334-L365 HydrophobicContact CG1-CD1 3.53Å; V334-L365 HydrophobicContact CG1-CD2 4.27Å; Y338-L365 VanDerWaalsContact CB-CD1 3.43Å; Y338-L365 HydrophobicContact CD2-CD1 3.89Å; Y338-L365 HydrophobicContact CG-CD1 3.84Å; V339-L365 HydrophobicContact CG2-CB 3.66Å; M361-L365 HydrophobicContact CG-CD1 3.98Å; M361-L365 WeakPolarHBondContact O-CG 3.48Å; M361-L365 PolarHBondContact O-N 3.42Å; M361-L365 HydrophobicContact SD-CD1 3.91Å; M361-L365 HydrophobicContact SD-CG 4.38Å; A362-L365 PolarHBondContact O-N 2.96Å; L365-G367 VanDerWaalsContact C-N 3.34Å; L365-L368 PolarHBondContact O-N 3.41Å; L365-Q369 VanDerWaalsContact O-CB 3.31Å; L365-Q369 WeakPolarHBondContact O-CB 3.19Å; L365-Q369 WeakPolarHBondContact O-CG 3.13Å; L365-Q369 PolarHBondContact O-N 3.05Å
366C96.7Very high91.9Very high29 Ų2925.9 Ų25.920%0.19613%0.131CC..Hα-helixtrans-62.4-40.8169.9-76.10000111.9A342 A362 L364 L368 Q369 S370A342-C366 WeakPolarHBondContact CB-SG 3.32Å; A362-C366 VanDerWaalsContact O-CB 3.22Å; A362-C366 WeakPolarHBondContact O-CB 3.37Å; A362-C366 PolarHBondContact O-N 3.13Å; A362-C366 PolarHBondContact O-SG 3.11Å; L364-C366 PolarHBondContact O-N 3.37Å; C366-L368 VanDerWaalsContact C-N 3.34Å; C366-L368 PolarHBondContact O-N 3.23Å; C366-Q369 PolarHBondContact O-N 2.96Å; C366-S370 WeakPolarHBondContact O-CB 3.47Å; C366-S370 PolarHBondContact O-N 3.28Å; C366-S370 PolarHBondContact O-OG 3.48Å; C366-S370 VanDerWaalsContact O-OG 3.06Å
367G95.5Very high90.4Very high2 Ų230 Ų302%0.02115%0.154CC..Hα-helixtrans-55.7-49.2173.700000111.6T310 K363 L364 L365 S370T310-G367 PolarHBondContact OG1-O 3.45Å; K363-G367 PolarHBondContact O-N 3.13Å; L364-G367 WeakPolarHBondContact O-CA 3.16Å; L364-G367 PolarHBondContact O-N 3.06Å; L365-G367 VanDerWaalsContact C-N 3.34Å; G367-S370 PolarHBondContact O-OG 3.47Å
368L95.9Very high88.6Confident1 Ų134.7 Ų34.71%0.00518%0.175CC..Hα-helixtrans-64-42.9178.6-66.8-179.6000113G308 T310 M312 A329 L364 L365 C366 I397G308-L368 VanDerWaalsContact CA-O 3.28Å; G308-L368 WeakPolarHBondContact CA-O 3.28Å; G308-L368 PolarHBondContact N-O 3.05Å; G308-L368 VanDerWaalsContact N-O 3.13Å; T310-L368 HydrophobicContact CG2-CD2 4.47Å; T310-L368 WeakPolarHBondContact O-CD2 3.46Å; T310-L368 PolarHBondContact OG1-O 2.86Å; T310-L368 VanDerWaalsContact OG1-O 3.06Å; M312-L368 HydrophobicContact CE-CD1 4.23Å; M312-L368 HydrophobicContact CE-CD2 4.15Å; M312-L368 HydrophobicContact CG-CD2 3.92Å; M312-L368 HydrophobicContact SD-CD1 4.45Å; M312-L368 HydrophobicContact SD-CD2 4.15Å; A329-L368 HydrophobicContact CB-CD1 4.04Å; L364-L368 HydrophobicContact CD2-CD1 3.6Å; L364-L368 HydrophobicContact CD2-CG 4.06Å; L364-L368 PolarHBondContact O-N 3.36Å; L365-L368 PolarHBondContact O-N 3.41Å; C366-L368 VanDerWaalsContact C-N 3.34Å; C366-L368 PolarHBondContact O-N 3.23Å; L368-I397 HydrophobicContact CD2-CD1 3.57Å; L368-I397 HydrophobicContact CD2-CG1 4.23Å; L368-I397 HydrophobicContact CG-CD1 3.82Å
369Q94.6Very high86.5Confident31 Ų3137.2 Ų37.215%0.14519%0.186CC..Hα-helixtrans-87.8-23-170.1-66.5-69.7-26.500114.3P307 A329 V339 L365 C366 G371P307-Q369 WeakPolarHBondContact CA-O 3.35Å; P307-Q369 WeakPolarHBondContact CB-O 2.95Å; A329-Q369 PolarHBondContact O-NE2 3.38Å; V339-Q369 HydrophobicContact CG1-CB 4.28Å; V339-Q369 HydrophobicContact CG2-CG 4.16Å; L365-Q369 VanDerWaalsContact O-CB 3.31Å; L365-Q369 WeakPolarHBondContact O-CB 3.19Å; L365-Q369 WeakPolarHBondContact O-CG 3.13Å; L365-Q369 PolarHBondContact O-N 3.05Å; C366-Q369 PolarHBondContact O-N 2.96Å; Q369-G371 PolarHBondContact O-N 2.65Å
370S92.9Very high83.9Confident45 Ų4539.2 Ų39.232%0.31521%0.206SC..Hα-helixtrans-70.3-29.9-172.762.30000114.7C366 G367 N372C366-S370 WeakPolarHBondContact O-CB 3.47Å; C366-S370 PolarHBondContact O-N 3.28Å; C366-S370 PolarHBondContact O-OG 3.48Å; C366-S370 VanDerWaalsContact O-OG 3.06Å; G367-S370 PolarHBondContact O-OG 3.47Å; S370-N372 PolarHBondContact O-N 2.83Å; S370-N372 PolarHBondContact OG-N 2.8Å
371G89.8Confident81.1Confident11 Ų1149.3 Ų49.311%0.11325%0.25CC..SBendtrans76.8-3.1-169.700000114.2Q369 Y373 S374Q369-G371 PolarHBondContact O-N 2.65Å; G371-Y373 PolarHBondContact O-N 3.38Å; G371-S374 PolarHBondContact O-N 2.83Å
372N88.8Confident78.3Confident74 Ų7456.2 Ų56.240%0.39628%0.28SS..THydrogen-bonded Turntrans-64.5-26.4-178.3-72.3-25000113.4S370 R375S370-N372 PolarHBondContact O-N 2.83Å; S370-N372 PolarHBondContact OG-N 2.8Å; N372-R375 PolarHBondContact O-NE 3.5Å; N372-R375 PolarHBondContact O-NH2 3.45Å
373Y89.9Confident75.3Confident33 Ų3365.5 Ų65.513%0.12933%0.329CS..THydrogen-bonded Turntrans-112.116.6-176.2-48.2-72.2000112.2C25 Y26 D27 G371 G396 I397C25-Y373 WeakPolarHBondContact CB-OH 3.42Å; Y26-Y373 HydrophobicContact CD2-CD2 4.38Å; Y26-Y373 HydrophobicContact CD2-CE2 4.08Å; Y26-Y373 HydrophobicContact CG-CE2 4.5Å; Y26-Y373 PolarHBondContact N-OH 3.45Å; D27-Y373 PolarHBondContact N-OH 2.86Å; D27-Y373 PolarHBondContact OD1-OH 2.79Å; G371-Y373 PolarHBondContact O-N 3.38Å; Y373-G396 PolarHBondContact O-N 3.41Å; Y373-I397 HydrophobicContact CD1-CG2 4.47Å; Y373-I397 HydrophobicContact CD2-CG2 3.57Å; Y373-I397 HydrophobicContact CE2-CG2 4.42Å; Y373-I397 HydrophobicContact CG-CG2 3.6Å
374S88.4Confident72.2Confident11 Ų1167.8 Ų67.88%0.07735%0.345CS..  trans-131.683.9177.2-176.60000108.6F305 G306 L309 G371F305-S374 VanDerWaalsContact CA-OG 3.31Å; F305-S374 WeakPolarHBondContact CA-OG 3.35Å; G306-S374 PolarHBondContact N-O 2.98Å; G306-S374 VanDerWaalsContact N-O 3.13Å; G306-S374 PolarHBondContact N-OG 3.47Å; L309-S374 WeakPolarHBondContact O-CB 3.37Å; L309-S374 PolarHBondContact O-OG 3.38Å; G371-S374 PolarHBondContact O-N 2.83Å
375R77.1Confident69.4Low106 Ų10674.9 Ų74.940%0.438%0.376SS..  trans-129.3141.9-174.7-50.4-177.7-172.5167.18.8111.6F305 N372 D377F305-R375 VanDerWaalsContact CD1-C 3.45Å; F305-R375 WeakPolarHBondContact CD1-O 3.26Å; N372-R375 PolarHBondContact O-NE 3.5Å; N372-R375 PolarHBondContact O-NH2 3.45Å; R375-D377 VanDerWaalsContact C-N 3.34Å; R375-D377 WeakPolarHBondContact CB-OD1 3.44Å
376E73.7Confident66.4Low149 Ų14985.8 Ų85.870%0.69642%0.417SS*.SBendtrans-71.2-28.7-178.5-172.1176.9-165.600112.6F305 H378 F379F305-E376 HydrophobicContact CD2-CB 3.74Å; F305-E376 HydrophobicContact CD2-CG 4.02Å; F305-E376 HydrophobicContact CE2-CB 3.96Å; F305-E376 HydrophobicContact CE2-CG 3.86Å; F305-E376 HydrophobicContact CG-CB 4.09Å; F305-E376 HydrophobicContact CZ-CB 4.48Å; E376-H378 VanDerWaalsContact C-N 3.3Å; E376-H378 PolarHBondContact O-N 2.84Å; E376-F379 WeakPolarHBondContact O-CB 3.08Å; E376-F379 PolarHBondContact O-N 2.81Å
377D59.6Low63.6Low112 Ų11289 Ų8960%0.59943%0.429SS*.G310 helixtrans-65.1-30.6-178.557.4-11.6000113.4R375 F379 G380R375-D377 VanDerWaalsContact C-N 3.34Å; R375-D377 WeakPolarHBondContact CB-OD1 3.44Å; D377-F379 VanDerWaalsContact C-N 3.26Å; D377-F379 PolarHBondContact O-N 2.8Å; D377-G380 PolarHBondContact O-N 3.39Å
378H53.8Low60.8Low110 Ų11092.2 Ų92.251%0.50945%0.445SS..G310 helixtrans-73.3-14.4173-75-88.7000113.7E376 G380E376-H378 VanDerWaalsContact C-N 3.3Å; E376-H378 PolarHBondContact O-N 2.84Å; H378-G380 PolarHBondContact O-N 3.38Å
379F50Low57.8Low65 Ų6599.9 Ų99.929%0.28548%0.475SS..G310 helixtrans-80.2-4.8176.6-110.6-101.3000113.8P303 F305 E376 D377 L388P303-F379 HydrophobicContact CB-CE1 4.43Å; F305-F379 AromaticContact CE1-CD2 3.35Å; F305-F379 HydrophobicContact CE1-CD2 3.35Å; F305-F379 AromaticContact CE1-CE2 3.7Å; F305-F379 HydrophobicContact CE1-CE2 3.7Å; F305-F379 HydrophobicContact CE1-CG 4.07Å; F305-F379 HydrophobicContact CZ-CB 4Å; F305-F379 HydrophobicContact CZ-CD1 4.31Å; F305-F379 AromaticContact CZ-CD2 3.4Å; F305-F379 HydrophobicContact CZ-CD2 3.4Å; F305-F379 VanDerWaalsContact CZ-CD2 3.4Å; F305-F379 AromaticContact CZ-CE2 3.87Å; F305-F379 HydrophobicContact CZ-CE2 3.87Å; F305-F379 AromaticContact CZ-CG 3.63Å; F305-F379 HydrophobicContact CZ-CG 3.63Å; F305-F379 HydrophobicContact CZ-CZ 4.5Å; E376-F379 WeakPolarHBondContact O-CB 3.08Å; E376-F379 PolarHBondContact O-N 2.81Å; D377-F379 VanDerWaalsContact C-N 3.26Å; D377-F379 PolarHBondContact O-N 2.8Å; F379-L388 HydrophobicContact CE1-CD1 4.41Å
380G38.8Very low55Low41 Ų41104.3 Ų104.342%0.42349%0.494SS..  trans70.2137.8169.600000114.4D377 H378 F382D377-G380 PolarHBondContact O-N 3.39Å; H378-G380 PolarHBondContact O-N 3.38Å; G380-F382 PolarHBondContact O-N 3.41Å
381K36.4Very low52.2Low212 Ų212106 Ų10692%0.92250%0.499SS*.SBendtrans-6470.9174.9-70.6171.2172.1169.80112.6
382F35.6Very low49.6Very low147 Ų147106.4 Ų106.465%0.64550%0.5SS*.  trans-131.392.3178.4-72.9-81.1000112G380 S384G380-F382 PolarHBondContact O-N 3.41Å; F382-S384 PolarHBondContact O-N 3.35Å
383L32.1Very low47.3Very low194 Ų194108.5 Ų108.5100%1.01651%0.511SS*.  trans-6723.9171.9-82.6157.4000114.2
384S33.4Very low45.4Very low49 Ų49110.4 Ų110.434%0.34352%0.523SS..  trans-118.8113175.879.50000110.8F382 R386 H387F382-S384 PolarHBondContact O-N 3.35Å; S384-R386 PolarHBondContact O-N 3.24Å; S384-H387 PolarHBondContact O-N 2.6Å; S384-H387 PolarHBondContact OG-ND1 3.24Å
385F37.1Very low44.3Very low148 Ų148110.8 Ų110.865%0.64953%0.529SS*.THydrogen-bonded Turntrans-52.3-13.6177.5-117-98.4000114.5K300K300-F385 HydrophobicContact CB-CZ 4.09Å; K300-F385 HydrophobicContact CD-CE2 4.31Å; K300-F385 HydrophobicContact CD-CZ 3.83Å; K300-F385 HydrophobicContact CG-CE1 4.11Å; K300-F385 HydrophobicContact CG-CZ 3.64Å
386R35Very low44.6Very low231 Ų231106.8 Ų106.887%0.87252%0.521SS*.THydrogen-bonded Turntrans-83.5-15.9-171.2-143173.4179.3141.1-0.5114.1S384S384-R386 PolarHBondContact O-N 3.24Å
387H36.6Very low45.5Very low96 Ų9699.7 Ų99.744%0.44449%0.488SS..SBendtrans-107.3-8.6-176.7-66.3106.4000114.3S384 Y389 K390S384-H387 PolarHBondContact O-N 2.6Å; S384-H387 PolarHBondContact OG-ND1 3.24Å; H387-Y389 PolarHBondContact O-N 3.4Å; H387-K390 PolarHBondContact O-N 3.45Å
388L36.9Very low46.9Very low70 Ų70100 Ų10037%0.36648%0.48SS..THydrogen-bonded Turntrans-58.3-20.6-176-15177.6000114.2F379F379-L388 HydrophobicContact CE1-CD1 4.41Å
389Y34.2Very low48.6Very low162 Ų16294.7 Ų94.764%0.63546%0.456SS*.THydrogen-bonded Turntrans-87.2-12.1-179.8-81.8-90.2000114.7H387H387-Y389 PolarHBondContact O-N 3.4Å
390K34.8Very low50.2Low125 Ų12592.2 Ų92.254%0.54345%0.448SS..THydrogen-bonded Turntrans-114.8-8.2-170.1-131.6-174.1180-158.80115.3E96 H387E96-K390 IonicContact OE1-NZ 3.52Å; E96-K390 PolarHBondContact OE1-NZ 2.76Å; H387-K390 PolarHBondContact O-N 3.45Å
391D34.3Very low52.4Low79 Ų7990.3 Ų90.342%0.42243%0.428SS..  trans-12317.6-161.6-63.6-31000116.1R98 L393R98-D391 IonicContact CZ-OD1 3.37Å; R98-D391 IonicContact NH1-OD1 2.88Å; R98-D391 PolarHBondContact NH1-OD1 3.48Å; D391-L393 VanDerWaalsContact C-N 3.29Å; D391-L393 PolarHBondContact O-N 2.89Å
392C36.2Very low55Low20 Ų2080.2 Ų80.214%0.13538%0.384CS..  trans-83.511.2178.5-64.30000115.2D394 G395 E721C392-D394 PolarHBondContact O-N 2.81Å; C392-G395 PolarHBondContact O-N 3.49Å; C392-E721 HydrophobicContact CB-CG 4.41Å
393L39.6Very low57.5Low118 Ų11874 Ų7462%0.61836%0.356SS*.THydrogen-bonded Turntrans-61.4-13.1-169.1-83.1160.8000115.4D391D391-L393 VanDerWaalsContact C-N 3.29Å; D391-L393 PolarHBondContact O-N 2.89Å
394D50.8Low59.8Low73 Ų7367.5 Ų67.539%0.3932%0.322SS..THydrogen-bonded Turntrans-117.913.3-178.4-64.1-46.4000114.3R69 C392R69-D394 IonicContact CZ-OD1 3.37Å; R69-D394 VanDerWaalsContact CZ-OD1 3.31Å; R69-D394 IonicContact CZ-OD2 3.66Å; R69-D394 IonicContact NH1-OD1 3.67Å; R69-D394 PolarHBondContact NH1-OD1 3.29Å; R69-D394 IonicContact NH1-OD2 3.31Å; R69-D394 PolarHBondContact NH1-OD2 2.74Å; R69-D394 IonicContact NH2-OD1 3.76Å; R69-D394 PolarHBondContact NH2-OD1 3.33Å; C392-D394 PolarHBondContact O-N 2.81Å
395G64.5Low62.3Low19 Ų1966.4 Ų66.420%0.19631%0.312CS..  trans-101.8134.5179.900000114.5C392C392-G395 PolarHBondContact O-N 3.49Å
396G84Confident64.7Low22 Ų2259.5 Ų59.523%0.22728%0.282CS..SBendtrans98.1-168173.300000115.2G311 Y373G311-G396 CarbonylContact O-C 3.56Å; G311-G396 WeakPolarHBondContact O-CA 3.38Å; Y373-G396 PolarHBondContact O-N 3.41Å
397I91.6Very high66.9Low1 Ų148.8 Ų48.81%0.00524%0.242CC..BIsolated β-bridgetrans-110.4148.817864.6176.9000110.9Y26 T310 G311 M312 V313 L368 Y373 P399Y26-I397 HydrophobicContact CD1-CB 3.91Å; Y26-I397 HydrophobicContact CD1-CG2 4.32Å; Y26-I397 HydrophobicContact CD2-CB 3.78Å; Y26-I397 HydrophobicContact CD2-CD1 4.31Å; Y26-I397 HydrophobicContact CD2-CG2 3.48Å; Y26-I397 VanDerWaalsContact CD2-CG2 3.48Å; Y26-I397 HydrophobicContact CE1-CB 4.03Å; Y26-I397 HydrophobicContact CE2-CB 3.89Å; Y26-I397 HydrophobicContact CE2-CD1 3.68Å; Y26-I397 HydrophobicContact CE2-CG1 4.3Å; Y26-I397 HydrophobicContact CE2-CG2 3.97Å; Y26-I397 HydrophobicContact CG-CB 3.78Å; Y26-I397 HydrophobicContact CG-CG2 3.68Å; T310-I397 HydrophobicContact CG2-CG1 4.35Å; T310-I397 HydrophobicContact CG2-CG2 3.77Å; G311-I397 PolarHBondContact O-N 3.25Å; M312-I397 CarbonylContact C-O 3.59Å; M312-I397 VanDerWaalsContact CA-O 3.3Å; M312-I397 WeakPolarHBondContact CA-O 3.45Å; M312-I397 HydrophobicContact CG-CD1 4.04Å; M312-I397 HydrophobicContact CG-CG1 3.64Å; V313-I397 PolarHBondContact N-O 2.9Å; L368-I397 HydrophobicContact CD2-CD1 3.57Å; L368-I397 HydrophobicContact CD2-CG1 4.23Å; L368-I397 HydrophobicContact CG-CD1 3.82Å; Y373-I397 HydrophobicContact CD1-CG2 4.47Å; Y373-I397 HydrophobicContact CD2-CG2 3.57Å; Y373-I397 HydrophobicContact CE2-CG2 4.42Å; Y373-I397 HydrophobicContact CG-CG2 3.6Å; I397-P399 WeakPolarHBondContact O-CD 3.5Å
398R89.4Confident68.8Low117 Ų11751.9 Ų51.944%0.44225%0.25SS..  trans-110.697175.2-175.6-179.3-68.8128.40.8109.8Y26 V313 M315 A400Y26-R398 VanDerWaalsContact CE1-O 3.29Å; Y26-R398 WeakPolarHBondContact CE1-O 3.36Å; V313-R398 HydrophobicContact CB-CB 4.28Å; V313-R398 HydrophobicContact CB-CG 4.48Å; V313-R398 HydrophobicContact CG2-CB 4.43Å; M315-R398 HydrophobicContact CG-CG 3.81Å; M315-R398 HydrophobicContact SD-CG 3.62Å; R398-A400 HydrophobicContact CG-CB 4.32Å; R398-A400 PolarHBondContact O-N 3.14Å
399P90.2Very high70.5Confident0 Ų052.6 Ų52.60%027%0.274CS..  trans-76.645.8-173.930.8-33.4000114.1M312 M315 L321 L364 I397 S401 F402 R403M312-P399 HydrophobicContact CG-CG 4.42Å; M312-P399 HydrophobicContact SD-CG 4.07Å; M315-P399 HydrophobicContact CE-CB 4.39Å; M315-P399 HydrophobicContact CE-CG 3.64Å; L321-P399 HydrophobicContact CD2-CG 4.25Å; L364-P399 HydrophobicContact CD1-CB 3.63Å; L364-P399 HydrophobicContact CD1-CG 4.44Å; L364-P399 HydrophobicContact CG-CB 4.23Å; I397-P399 WeakPolarHBondContact O-CD 3.5Å; P399-S401 PolarHBondContact O-N 3.44Å; P399-F402 HydrophobicContact CB-CB 4.33Å; P399-F402 PolarHBondContact O-N 2.99Å; P399-R403 PolarHBondContact O-N 3.12Å
400A83.2Confident72.7Confident13 Ų1347 Ų4711%0.10726%0.255CS..Hα-helixtrans-62.1-45.5-175.100000112.4Y141 M315 R398 F402 R403 L404Y141-A400 HydrophobicContact CD1-CB 3.81Å; Y141-A400 HydrophobicContact CE1-CB 4.42Å; Y141-A400 HydrophobicContact CG-CB 4.2Å; M315-A400 WeakPolarHBondContact SD-CA 3.37Å; M315-A400 HydrophobicContact SD-CB 3.77Å; M315-A400 PolarHBondContact SD-N 2.86Å; M315-A400 VanDerWaalsContact SD-N 3.4Å; R398-A400 HydrophobicContact CG-CB 4.32Å; R398-A400 PolarHBondContact O-N 3.14Å; A400-F402 VanDerWaalsContact C-N 3.29Å; A400-F402 PolarHBondContact O-N 2.74Å; A400-R403 PolarHBondContact O-N 2.98Å; A400-L404 WeakPolarHBondContact O-CB 2.95Å; A400-L404 PolarHBondContact O-N 3.28Å
401S85.3Confident74.5Confident1 Ų145 Ų451%0.00726%0.262CS..Hα-helixtrans-57.1-41.7175.3-59.10000112.9E21 Y141 P399 L404 L405E21-S401 PolarHBondContact OE1-OG 3.4Å; Y141-S401 WeakPolarHBondContact CE1-OG 3.24Å; Y141-S401 PolarHBondContact OH-OG 3.18Å; P399-S401 PolarHBondContact O-N 3.44Å; S401-L404 WeakPolarHBondContact O-CB 3.23Å; S401-L405 WeakPolarHBondContact O-CB 3.2Å; S401-L405 PolarHBondContact O-N 3.13Å
402F91.2Very high76.4Confident0 Ų045.6 Ų45.60%026%0.262CS..Hα-helixtrans-71.1-46.8-179.9178.4-98000111L321 M325 F357 Q360 M361 L364 P399 A400 L404 L405 I406 L428L321-F402 HydrophobicContact CD1-CD1 4.35Å; L321-F402 HydrophobicContact CD1-CE1 4.42Å; M325-F402 HydrophobicContact CE-CE1 4.44Å; M325-F402 HydrophobicContact CE-CZ 4.21Å; M325-F402 HydrophobicContact CG-CE1 4.34Å; M325-F402 HydrophobicContact SD-CE1 3.96Å; M325-F402 HydrophobicContact SD-CZ 4.05Å; F357-F402 HydrophobicContact CE2-CE2 4.36Å; Q360-F402 HydrophobicContact CB-CB 4.35Å; Q360-F402 HydrophobicContact CB-CD2 4Å; M361-F402 HydrophobicContact CB-CE2 4.27Å; M361-F402 HydrophobicContact SD-CE2 3.95Å; M361-F402 HydrophobicContact SD-CZ 4.19Å; L364-F402 HydrophobicContact CD1-CB 3.99Å; L364-F402 HydrophobicContact CD1-CD1 3.55Å; L364-F402 HydrophobicContact CD1-CD2 4.29Å; L364-F402 HydrophobicContact CD1-CE1 4.06Å; L364-F402 HydrophobicContact CD1-CG 3.68Å; P399-F402 HydrophobicContact CB-CB 4.33Å; P399-F402 PolarHBondContact O-N 2.99Å; A400-F402 VanDerWaalsContact C-N 3.29Å; A400-F402 PolarHBondContact O-N 2.74Å; F402-L404 VanDerWaalsContact C-N 3.3Å; F402-L404 PolarHBondContact O-N 3.28Å; F402-L405 PolarHBondContact O-N 3.49Å; F402-L405 VanDerWaalsContact O-N 3.14Å; F402-I406 HydrophobicContact CD1-CG2 4.29Å; F402-I406 HydrophobicContact CE1-CB 4.49Å; F402-I406 HydrophobicContact CE1-CD1 4.05Å; F402-I406 HydrophobicContact CE1-CG2 4.11Å; F402-I406 HydrophobicContact CZ-CB 4.48Å; F402-I406 HydrophobicContact CZ-CD1 3.79Å; F402-I406 VanDerWaalsContact O-CG2 3.25Å; F402-I406 WeakPolarHBondContact O-CG2 3.31Å; F402-I406 PolarHBondContact O-N 3.13Å; F402-L428 HydrophobicContact CZ-CD1 4.09Å
403R86.5Confident78.4Confident15 Ų1544.8 Ų44.86%0.05726%0.256CS..Hα-helixtrans-56.5-45.4176.9-179.9179.3173.7172.92.3111.5M315 G316 L321 P399 A400 L405 N407 N416M315-R403 HydrophobicContact CE-CB 3.97Å; M315-R403 PolarHBondContact O-NH1 2.85Å; G316-R403 PolarHBondContact O-NH1 3.5Å; G316-R403 PolarHBondContact O-NH2 2.76Å; L321-R403 HydrophobicContact CD1-CB 4.2Å; L321-R403 HydrophobicContact CD1-CG 4.33Å; P399-R403 PolarHBondContact O-N 3.12Å; A400-R403 PolarHBondContact O-N 2.98Å; R403-L405 VanDerWaalsContact C-N 3.31Å; R403-L405 PolarHBondContact O-N 2.77Å; R403-N407 VanDerWaalsContact O-CB 3.27Å; R403-N407 WeakPolarHBondContact O-CB 3.43Å; R403-N407 VanDerWaalsContact O-CG 3.23Å; R403-N407 PolarHBondContact O-N 3.29Å; R403-N407 PolarHBondContact O-ND2 3.45Å; R403-N416 PolarHBondContact NH2-OD1 3.3Å
404L80.4Confident79.9Confident58 Ų5841.8 Ų41.830%0.30425%0.249SC..Hα-helixtrans-51.7-50.4174.2-96.4174.7000113.7F18 Y141 L144 A400 S401 F402 R408F18-L404 HydrophobicContact CE1-CD1 4.48Å; Y141-L404 HydrophobicContact CD1-CD1 4.21Å; Y141-L404 HydrophobicContact CE1-CD1 4.34Å; L144-L404 HydrophobicContact CD1-CD1 3.09Å; L144-L404 HydrophobicContact CD1-CD2 3.17Å; L144-L404 HydrophobicContact CD1-CG 3.11Å; L144-L404 HydrophobicContact CD2-CD2 3.23Å; L144-L404 HydrophobicContact CD2-CG 4.12Å; L144-L404 HydrophobicContact CG-CD1 4.43Å; L144-L404 HydrophobicContact CG-CD2 3.72Å; L144-L404 HydrophobicContact CG-CG 4.17Å; A400-L404 WeakPolarHBondContact O-CB 2.95Å; A400-L404 PolarHBondContact O-N 3.28Å; S401-L404 WeakPolarHBondContact O-CB 3.23Å; F402-L404 VanDerWaalsContact C-N 3.3Å; F402-L404 PolarHBondContact O-N 3.28Å; L404-R408 PolarHBondContact O-N 3.41Å
405L87.1Confident80.7Confident27 Ų2739.6 Ų39.614%0.14124%0.24CC..Hα-helixtrans-74.6-46.7-170.2179.157.5000110.9E355 D356 F357 Q360 S401 F402 R403 N407 R408E355-L405 WeakPolarHBondContact O-CD1 3.27Å; D356-L405 VanDerWaalsContact C-CD2 3.41Å; D356-L405 WeakPolarHBondContact O-CD2 3.2Å; F357-L405 HydrophobicContact CB-CD2 4.38Å; Q360-L405 HydrophobicContact CB-CD2 4.05Å; Q360-L405 HydrophobicContact CG-CD2 3.73Å; S401-L405 WeakPolarHBondContact O-CB 3.2Å; S401-L405 PolarHBondContact O-N 3.13Å; F402-L405 PolarHBondContact O-N 3.49Å; F402-L405 VanDerWaalsContact O-N 3.14Å; R403-L405 VanDerWaalsContact C-N 3.31Å; R403-L405 PolarHBondContact O-N 2.77Å; L405-N407 VanDerWaalsContact C-N 3.33Å; L405-N407 PolarHBondContact O-N 3.36Å; L405-R408 WeakPolarHBondContact O-CB 2.92Å; L405-R408 PolarHBondContact O-N 2.99Å
406I87.6Confident80.8Confident2 Ų240.3 Ų40.31%0.0124%0.239CC..Hα-helixtrans-67.4-36.6-175.7-166.5173.6000111.8F357 F402 R408 F424 F427 L428 K431F357-I406 HydrophobicContact CE2-CD1 4.38Å; F357-I406 HydrophobicContact CE2-CG1 4.42Å; F402-I406 HydrophobicContact CD1-CG2 4.29Å; F402-I406 HydrophobicContact CE1-CB 4.49Å; F402-I406 HydrophobicContact CE1-CD1 4.05Å; F402-I406 HydrophobicContact CE1-CG2 4.11Å; F402-I406 HydrophobicContact CZ-CB 4.48Å; F402-I406 HydrophobicContact CZ-CD1 3.79Å; F402-I406 VanDerWaalsContact O-CG2 3.25Å; F402-I406 WeakPolarHBondContact O-CG2 3.31Å; F402-I406 PolarHBondContact O-N 3.13Å; I406-R408 VanDerWaalsContact C-N 3.3Å; I406-R408 PolarHBondContact O-N 2.91Å; I406-F424 HydrophobicContact CD1-CE2 4.18Å; I406-F424 HydrophobicContact CD1-CZ 4.11Å; I406-F427 HydrophobicContact CG1-CD1 4.49Å; I406-F427 HydrophobicContact CG1-CE1 3.9Å; I406-F427 VanDerWaalsContact O-CE1 3.3Å; I406-F427 WeakPolarHBondContact O-CE1 3.4Å; I406-F427 WeakPolarHBondContact O-CZ 3.32Å; I406-L428 HydrophobicContact CD1-CB 4.26Å; I406-L428 HydrophobicContact CD1-CD1 3.33Å; I406-L428 HydrophobicContact CD1-CG 4.33Å; I406-K431 HydrophobicContact CG1-CG 4.31Å
407N79.9Confident80.1Confident7 Ų745.5 Ų45.54%0.03725%0.252CS..Hα-helixtrans-80.8-11.9-177.9-63.9-4.2000112.8R403 L405 G409 N410 F413R403-N407 VanDerWaalsContact O-CB 3.27Å; R403-N407 WeakPolarHBondContact O-CB 3.43Å; R403-N407 VanDerWaalsContact O-CG 3.23Å; R403-N407 PolarHBondContact O-N 3.29Å; R403-N407 PolarHBondContact O-ND2 3.45Å; L405-N407 VanDerWaalsContact C-N 3.33Å; L405-N407 PolarHBondContact O-N 3.36Å; N407-G409 PolarHBondContact O-N 3.34Å; N407-N410 PolarHBondContact O-N 3.42Å; N407-N410 VanDerWaalsContact O-N 3.13Å; N407-F413 HydrophobicContact CB-CB 4.09Å; N407-F413 WeakPolarHBondContact CB-O 3.49Å; N407-F413 PolarHBondContact ND2-O 2.81Å; N407-F413 WeakPolarHBondContact OD1-CB 3.43Å
408R78Confident79.3Confident161 Ų16149.1 Ų49.161%0.60827%0.268SS*.THydrogen-bonded Turntrans-58.6122.1-178-168.4175.3-178.9171.20.4110.8E355 L404 L405 I406E355-R408 IonicContact OE1-NH1 2.86Å; E355-R408 PolarHBondContact OE1-NH1 3.2Å; L404-R408 PolarHBondContact O-N 3.41Å; L405-R408 WeakPolarHBondContact O-CB 2.92Å; L405-R408 PolarHBondContact O-N 2.99Å; I406-R408 VanDerWaalsContact C-N 3.3Å; I406-R408 PolarHBondContact O-N 2.91Å
409G71.3Confident79.1Confident84 Ų8444.4 Ų44.487%0.86625%0.251SS*.THydrogen-bonded Turntrans86.9-3.7177.300000115.5N407N407-G409 PolarHBondContact O-N 3.34Å
410N79.9Confident79.1Confident44 Ų4446.3 Ų46.324%0.23526%0.261CS..  trans-104.3119.6171.8-177.6-62000109.5N407 E412 F413 A414 F427N407-N410 PolarHBondContact O-N 3.42Å; N407-N410 VanDerWaalsContact O-N 3.13Å; N410-E412 PolarHBondContact O-N 2.75Å; N410-E412 PolarHBondContact OD1-N 2.81Å; N410-F413 HydrophobicContact CB-CB 4.46Å; N410-F413 HydrophobicContact CB-CD2 4.17Å; N410-F413 WeakPolarHBondContact ND2-CD2 3.47Å; N410-F413 WeakPolarHBondContact OD1-CD2 3.39Å; N410-F413 PolarHBondContact OD1-N 2.86Å; N410-A414 WeakPolarHBondContact O-CA 3.37Å; N410-A414 WeakPolarHBondContact O-CB 3.48Å; N410-A414 PolarHBondContact O-N 2.97Å; N410-F427 HydrophobicContact CB-CE2 4.1Å; N410-F427 HydrophobicContact CB-CZ 3.89Å
411A74Confident79.6Confident85 Ų8545.7 Ų45.770%0.70226%0.256SS*.Hα-helixtrans-63.5-38.5-174.100000113.4S415A411-S415 PolarHBondContact O-N 3.08Å
412E74.1Confident80.1Confident90 Ų9046.8 Ų46.842%0.42126%0.261SS..Hα-helixtrans-72.6-54.7-178.8-67.5-55.1139.900110.9N410 A414 S415 Q419N410-E412 PolarHBondContact O-N 2.75Å; N410-E412 PolarHBondContact OD1-N 2.81Å; E412-A414 VanDerWaalsContact C-N 3.33Å; E412-A414 PolarHBondContact O-N 2.79Å; E412-S415 WeakPolarHBondContact O-CA 3.24Å; E412-S415 WeakPolarHBondContact O-CB 3.46Å; E412-S415 PolarHBondContact O-N 2.74Å; E412-S415 PolarHBondContact O-OG 2.7Å; E412-Q419 PolarHBondContact O-NE2 3.43Å
413F78.2Confident80.2Confident3 Ų351.1 Ų51.11%0.01328%0.282CS..Hα-helixtrans-71.3-27.3-179.1-58.8-60.6000113Y320 N407 N410 S415 Q419 E423 F424 F427Y320-F413 HydrophobicContact CE2-CD1 4.48Å; N407-F413 HydrophobicContact CB-CB 4.09Å; N407-F413 WeakPolarHBondContact CB-O 3.49Å; N407-F413 PolarHBondContact ND2-O 2.81Å; N407-F413 WeakPolarHBondContact OD1-CB 3.43Å; N410-F413 HydrophobicContact CB-CB 4.46Å; N410-F413 HydrophobicContact CB-CD2 4.17Å; N410-F413 WeakPolarHBondContact ND2-CD2 3.47Å; N410-F413 WeakPolarHBondContact OD1-CD2 3.39Å; N410-F413 PolarHBondContact OD1-N 2.86Å; F413-S415 PolarHBondContact O-N 2.79Å; F413-Q419 HydrophobicContact CD1-CB 4.35Å; F413-Q419 HydrophobicContact CD1-CG 4.05Å; F413-Q419 HydrophobicContact CE1-CB 4.21Å; F413-Q419 HydrophobicContact CE1-CG 4.35Å; F413-E423 HydrophobicContact CZ-CB 4.35Å; F413-E423 HydrophobicContact CZ-CG 3.98Å; F413-F424 AromaticContact CD1-CD2 3.92Å; F413-F424 HydrophobicContact CD1-CD2 3.92Å; F413-F424 HydrophobicContact CE1-CB 3.79Å; F413-F424 AromaticContact CE1-CD2 3.91Å; F413-F424 HydrophobicContact CE1-CD2 3.91Å; F413-F424 HydrophobicContact CE1-CG 4.36Å; F413-F424 HydrophobicContact CG-CD2 4.47Å; F413-F424 HydrophobicContact CZ-CB 4.2Å; F413-F424 HydrophobicContact CZ-CD2 4.43Å; F413-F427 HydrophobicContact CB-CE1 4.47Å; F413-F427 HydrophobicContact CD2-CB 4.29Å; F413-F427 AromaticContact CD2-CD1 3.39Å; F413-F427 HydrophobicContact CD2-CD1 3.39Å; F413-F427 HydrophobicContact CD2-CD2 4.2Å; F413-F427 AromaticContact CD2-CE1 3.59Å; F413-F427 HydrophobicContact CD2-CE1 3.59Å; F413-F427 HydrophobicContact CD2-CE2 4.38Å; F413-F427 AromaticContact CD2-CG 3.71Å; F413-F427 HydrophobicContact CD2-CG 3.71Å; F413-F427 HydrophobicContact CD2-CZ 4.08Å; F413-F427 HydrophobicContact CE2-CB 3.53Å; F413-F427 AromaticContact CE2-CD1 3.54Å; F413-F427 HydrophobicContact CE2-CD1 3.54Å; F413-F427 HydrophobicContact CE2-CD2 4.06Å; F413-F427 HydrophobicContact CE2-CE1 4.2Å; F413-F427 AromaticContact CE2-CG 3.43Å; F413-F427 HydrophobicContact CE2-CG 3.43Å; F413-F427 VanDerWaalsContact CE2-CG 3.43Å; F413-F427 HydrophobicContact CG-CD1 4.16Å; F413-F427 HydrophobicContact CG-CE1 4.23Å; F413-F427 HydrophobicContact CZ-CB 4.05Å; F413-F427 HydrophobicContact CZ-CD1 4.37Å; F413-F427 HydrophobicContact CZ-CG 4.35Å
414A70.6Confident80.6Confident56 Ų5650.4 Ų50.446%0.46328%0.279SS..Hα-helixtrans-69.6-19.217100000112.3N410 E412N410-A414 WeakPolarHBondContact O-CA 3.37Å; N410-A414 WeakPolarHBondContact O-CB 3.48Å; N410-A414 PolarHBondContact O-N 2.97Å; E412-A414 VanDerWaalsContact C-N 3.33Å; E412-A414 PolarHBondContact O-N 2.79Å
415S68.6Low81.3Confident27 Ų2747.6 Ų47.619%0.18926%0.264CS..SBendtrans-68.9160.617187.60000111A411 E412 F413 R417 Q419A411-S415 PolarHBondContact O-N 3.08Å; E412-S415 WeakPolarHBondContact O-CA 3.24Å; E412-S415 WeakPolarHBondContact O-CB 3.46Å; E412-S415 PolarHBondContact O-N 2.74Å; E412-S415 PolarHBondContact O-OG 2.7Å; F413-S415 PolarHBondContact O-N 2.79Å; S415-R417 VanDerWaalsContact C-N 3.3Å; S415-R417 WeakPolarHBondContact OG-CB 3.12Å; S415-R417 PolarHBondContact OG-N 2.92Å; S415-Q419 PolarHBondContact OG-NE2 3.11Å
416N66.2Low81.7Confident34 Ų3450 Ų5018%0.18227%0.271CS..SBendtrans-96.717.1176.4-62.3-45.9000112.6Q147 S148 N317 R403Q147-N416 VanDerWaalsContact C-ND2 3.26Å; Q147-N416 PolarHBondContact O-ND2 3.41Å; S148-N416 VanDerWaalsContact CA-CG 3.43Å; S148-N416 VanDerWaalsContact CA-ND2 3.32Å; S148-N416 WeakPolarHBondContact CA-ND2 3.45Å; S148-N416 PolarHBondContact N-ND2 2.95Å; S148-N416 PolarHBondContact OG-OD1 3.49Å; N317-N416 PolarHBondContact ND2-O 3.44Å; R403-N416 PolarHBondContact NH2-OD1 3.3Å
417R68.2Low82Confident131 Ų13151 Ų5149%0.49428%0.276SS..SBendtrans-75.6163.4177.1-65.6178.7172.2160.30.4111D154 S415D154-R417 IonicContact OD2-NE 2.81Å; S415-R417 VanDerWaalsContact C-N 3.3Å; S415-R417 WeakPolarHBondContact OG-CB 3.12Å; S415-R417 PolarHBondContact OG-N 2.92Å
418Q75.8Confident82.7Confident76 Ų7650.7 Ų50.736%0.35527%0.274SS..  trans-68.4144.2166.7-61.9-171.24.400109.3N317 G703N317-Q418 HydrophobicContact CB-CG 3.88Å; N317-Q418 VanDerWaalsContact OD1-CG 3.28Å; N317-Q418 WeakPolarHBondContact OD1-CG 3.23Å; N317-Q418 PolarHBondContact OD1-NE2 3.18Å; Q418-G703 PolarHBondContact NE2-O 3.2Å; Q418-G703 PolarHBondContact OE1-O 2.79Å; Q418-G703 VanDerWaalsContact OE1-O 3.08Å
419Q84.5Confident83.5Confident18 Ų1843.2 Ų43.28%0.08425%0.246CC..  trans-130.3153.1-173-61-63-17.700110.5Y320 E412 F413 S415 Y705Y320-Q419 HydrophobicContact CD1-CB 3.84Å; Y320-Q419 HydrophobicContact CD1-CG 4.45Å; Y320-Q419 HydrophobicContact CD2-CB 4.28Å; Y320-Q419 HydrophobicContact CE1-CB 3.65Å; Y320-Q419 HydrophobicContact CE1-CG 3.77Å; Y320-Q419 HydrophobicContact CE2-CB 4.18Å; Y320-Q419 HydrophobicContact CG-CB 4.16Å; E412-Q419 PolarHBondContact O-NE2 3.43Å; F413-Q419 HydrophobicContact CD1-CB 4.35Å; F413-Q419 HydrophobicContact CD1-CG 4.05Å; F413-Q419 HydrophobicContact CE1-CB 4.21Å; F413-Q419 HydrophobicContact CE1-CG 4.35Å; S415-Q419 PolarHBondContact OG-NE2 3.11Å; Q419-Y705 WeakPolarHBondContact O-CE2 3.44Å
420D91Very high84.4Confident40 Ų4044.7 Ų44.721%0.21423%0.231CC..  trans-73.2137173.4-177.4-86.3000110.8E422 E423 F424 Y735D420-E422 WeakPolarHBondContact OD1-CA 3.34Å; D420-E422 WeakPolarHBondContact OD1-CB 3.3Å; D420-E422 PolarHBondContact OD1-N 3.01Å; D420-E423 HydrophobicContact CB-CB 4.23Å; D420-E423 PolarHBondContact OD1-N 2.8Å; D420-E423 VanDerWaalsContact OD1-N 3.13Å; D420-F424 PolarHBondContact O-N 3.13Å; D420-F424 VanDerWaalsContact O-N 3.16Å; D420-Y735 PolarHBondContact OD1-OH 3.18Å; D420-Y735 VanDerWaalsContact OD2-CE1 3.25Å; D420-Y735 WeakPolarHBondContact OD2-CE1 3.4Å; D420-Y735 PolarHBondContact OD2-OH 3.48Å
421V93.6Very high85Confident0 Ų045.4 Ų45.40%023%0.232CC..Hα-helixtrans-71.9-32-175.870.30000112.7V324 M425 I693 Y705 Y735 I736V324-V421 HydrophobicContact CG2-CG2 3.19Å; V421-M425 WeakPolarHBondContact O-CB 3.46Å; V421-M425 WeakPolarHBondContact O-CG 3.35Å; V421-M425 PolarHBondContact O-N 3.02Å; V421-I693 HydrophobicContact CG2-CD1 3.96Å; V421-I693 HydrophobicContact CG2-CG2 4.37Å; V421-Y705 HydrophobicContact CB-CD1 4.21Å; V421-Y705 HydrophobicContact CB-CE1 3.73Å; V421-Y705 HydrophobicContact CB-CE2 4.32Å; V421-Y705 HydrophobicContact CG1-CD1 4.23Å; V421-Y705 HydrophobicContact CG1-CE1 3.54Å; V421-Y705 PolarHBondContact N-OH 2.97Å; V421-Y735 HydrophobicContact CG1-CD1 3.49Å; V421-Y735 VanDerWaalsContact CG1-CD1 3.49Å; V421-Y735 HydrophobicContact CG1-CE1 3.57Å; V421-I736 HydrophobicContact CG1-CD1 4.23Å; V421-I736 HydrophobicContact CG1-CG1 3.55Å
422E94.8Very high85.9Confident24 Ų2441.4 Ų41.411%0.11220%0.198CC..Hα-helixtrans-72-42.5178.9-169.2-94.5178.900111.2D420 F424 M425 R426 I476 Q567 I736D420-E422 WeakPolarHBondContact OD1-CA 3.34Å; D420-E422 WeakPolarHBondContact OD1-CB 3.3Å; D420-E422 PolarHBondContact OD1-N 3.01Å; E422-F424 VanDerWaalsContact C-N 3.33Å; E422-F424 PolarHBondContact O-N 3.44Å; E422-M425 WeakPolarHBondContact O-CB 3.29Å; E422-M425 PolarHBondContact O-N 2.78Å; E422-M425 VanDerWaalsContact O-N 3.14Å; E422-R426 PolarHBondContact O-N 2.83Å; E422-R426 IonicContact OE1-CZ 3.67Å; E422-R426 IonicContact OE1-NE 3.1Å; E422-R426 PolarHBondContact OE1-NE 3.28Å; E422-R426 IonicContact OE1-NH2 3.4Å; E422-R426 PolarHBondContact OE1-NH2 2.77Å; E422-R426 IonicContact OE2-NE 3.43Å; E422-I476 HydrophobicContact CG-CD1 3.88Å; E422-I476 HydrophobicContact CG-CG2 4.27Å; E422-Q567 HydrophobicContact CB-CG 4.42Å; E422-Q567 HydrophobicContact CG-CB 4.25Å; E422-Q567 HydrophobicContact CG-CG 4.14Å; E422-I736 HydrophobicContact CB-CD1 4.09Å; E422-I736 HydrophobicContact CG-CD1 4.41Å
423E93.4Very high86.5Confident91 Ų9140.6 Ų40.643%0.42519%0.194SC..Hα-helixtrans-60.1-45.8174.7-164.1-175.2171.500110.8F413 D420 M425 R426 F427F413-E423 HydrophobicContact CZ-CB 4.35Å; F413-E423 HydrophobicContact CZ-CG 3.98Å; D420-E423 HydrophobicContact CB-CB 4.23Å; D420-E423 PolarHBondContact OD1-N 2.8Å; D420-E423 VanDerWaalsContact OD1-N 3.13Å; E423-M425 VanDerWaalsContact C-N 3.33Å; E423-M425 PolarHBondContact O-N 2.86Å; E423-R426 PolarHBondContact O-N 2.84Å; E423-F427 WeakPolarHBondContact O-CB 3.35Å; E423-F427 PolarHBondContact O-N 2.88Å
424F94.7Very high87Confident0 Ų044.9 Ų44.90%022%0.218CC..Hα-helixtrans-62.3-38.7174.8-179.3-106.9000112.5Y320 L321 V324 I406 F413 D420 E422 F427 L428Y320-F424 HydrophobicContact CD2-CB 3.8Å; Y320-F424 AromaticContact CD2-CD1 3.86Å; Y320-F424 HydrophobicContact CD2-CD1 3.86Å; Y320-F424 HydrophobicContact CD2-CD2 4.02Å; Y320-F424 HydrophobicContact CD2-CE1 4.47Å; Y320-F424 AromaticContact CD2-CG 3.6Å; Y320-F424 HydrophobicContact CD2-CG 3.6Å; Y320-F424 HydrophobicContact CE2-CB 4.13Å; Y320-F424 HydrophobicContact CE2-CD1 4.2Å; Y320-F424 AromaticContact CE2-CD2 3.58Å; Y320-F424 HydrophobicContact CE2-CD2 3.58Å; Y320-F424 AromaticContact CE2-CE2 3.99Å; Y320-F424 HydrophobicContact CE2-CE2 3.99Å; Y320-F424 AromaticContact CE2-CG 3.69Å; Y320-F424 HydrophobicContact CE2-CG 3.69Å; Y320-F424 HydrophobicContact CE2-CZ 4.47Å; L321-F424 HydrophobicContact CB-CE1 3.99Å; L321-F424 HydrophobicContact CB-CZ 3.99Å; L321-F424 HydrophobicContact CD1-CE2 4.37Å; L321-F424 HydrophobicContact CD1-CZ 3.86Å; L321-F424 HydrophobicContact CG-CE1 4.02Å; L321-F424 HydrophobicContact CG-CZ 3.73Å; V324-F424 HydrophobicContact CB-CD1 4.16Å; V324-F424 HydrophobicContact CB-CE1 4.19Å; V324-F424 HydrophobicContact CG1-CD1 4.26Å; V324-F424 HydrophobicContact CG1-CE1 4.2Å; V324-F424 HydrophobicContact CG2-CD1 4.11Å; I406-F424 HydrophobicContact CD1-CE2 4.18Å; I406-F424 HydrophobicContact CD1-CZ 4.11Å; F413-F424 AromaticContact CD1-CD2 3.92Å; F413-F424 HydrophobicContact CD1-CD2 3.92Å; F413-F424 HydrophobicContact CE1-CB 3.79Å; F413-F424 AromaticContact CE1-CD2 3.91Å; F413-F424 HydrophobicContact CE1-CD2 3.91Å; F413-F424 HydrophobicContact CE1-CG 4.36Å; F413-F424 HydrophobicContact CG-CD2 4.47Å; F413-F424 HydrophobicContact CZ-CB 4.2Å; F413-F424 HydrophobicContact CZ-CD2 4.43Å; D420-F424 PolarHBondContact O-N 3.13Å; D420-F424 VanDerWaalsContact O-N 3.16Å; E422-F424 VanDerWaalsContact C-N 3.33Å; E422-F424 PolarHBondContact O-N 3.44Å; F424-F427 HydrophobicContact CD2-CD1 4.36Å; F424-F427 HydrophobicContact CE2-CD1 4.5Å; F424-F427 PolarHBondContact O-N 2.93Å; F424-L428 HydrophobicContact CE1-CB 4.49Å; F424-L428 HydrophobicContact CE1-CD2 4.06Å; F424-L428 HydrophobicContact CZ-CD2 4.48Å; F424-L428 VanDerWaalsContact O-CB 3.23Å; F424-L428 WeakPolarHBondContact O-CB 3.28Å; F424-L428 PolarHBondContact O-N 3.28Å
425M96.5Very high87.8Confident0 Ų044.8 Ų44.80%021%0.209CC..Hα-helixtrans-62.1-47.2176.7-77.5171.368.300111.8V324 V421 E422 E423 F427 L428 F429 I476 W565 I736V324-M425 HydrophobicContact CB-CG 4.34Å; V324-M425 HydrophobicContact CG1-CG 3.79Å; V324-M425 HydrophobicContact CG2-CG 3.53Å; V324-M425 HydrophobicContact CG2-SD 4.13Å; V421-M425 WeakPolarHBondContact O-CB 3.46Å; V421-M425 WeakPolarHBondContact O-CG 3.35Å; V421-M425 PolarHBondContact O-N 3.02Å; E422-M425 WeakPolarHBondContact O-CB 3.29Å; E422-M425 PolarHBondContact O-N 2.78Å; E422-M425 VanDerWaalsContact O-N 3.14Å; E423-M425 VanDerWaalsContact C-N 3.33Å; E423-M425 PolarHBondContact O-N 2.86Å; M425-F427 PolarHBondContact O-N 2.81Å; M425-L428 PolarHBondContact O-N 3.05Å; M425-F429 HydrophobicContact CB-CE1 4.49Å; M425-F429 HydrophobicContact CB-CE2 4.29Å; M425-F429 HydrophobicContact CB-CZ 4.13Å; M425-F429 HydrophobicContact CE-CE2 4.09Å; M425-F429 HydrophobicContact CE-CZ 3.65Å; M425-F429 HydrophobicContact CG-CZ 4.44Å; M425-F429 WeakPolarHBondContact O-CB 3.38Å; M425-F429 VanDerWaalsContact O-CD1 3.25Å; M425-F429 WeakPolarHBondContact O-CD1 3.47Å; M425-F429 WeakPolarHBondContact O-CD2 3.25Å; M425-F429 WeakPolarHBondContact O-CG 3.28Å; M425-F429 PolarHBondContact O-N 2.68Å; M425-I476 HydrophobicContact CB-CD1 3.79Å; M425-I476 HydrophobicContact CE-CD1 3.98Å; M425-I476 HydrophobicContact CE-CG1 4.37Å; M425-I476 HydrophobicContact SD-CD1 4.47Å; M425-W565 HydrophobicContact CE-CB 4.19Å; M425-W565 HydrophobicContact CE-CD2 3.36Å; M425-W565 HydrophobicContact CE-CE3 3.3Å; M425-W565 HydrophobicContact CE-CG 3.77Å; M425-W565 HydrophobicContact CE-CH2 4.24Å; M425-W565 HydrophobicContact CE-CZ2 4.31Å; M425-W565 HydrophobicContact CE-CZ3 3.76Å; M425-I736 HydrophobicContact CE-CG2 4.13Å; M425-I736 HydrophobicContact SD-CG1 4.32Å; M425-I736 HydrophobicContact SD-CG2 3.98Å
426R94.9Very high88.4Confident76 Ų7643.8 Ų43.829%0.28720%0.202SC..Hα-helixtrans-60.5-46.6177-68.5-164.9-172.7-93.3-8.6111.4E422 E423 L428 F429 E430 E474 I476E422-R426 PolarHBondContact O-N 2.83Å; E422-R426 IonicContact OE1-CZ 3.67Å; E422-R426 IonicContact OE1-NE 3.1Å; E422-R426 PolarHBondContact OE1-NE 3.28Å; E422-R426 IonicContact OE1-NH2 3.4Å; E422-R426 PolarHBondContact OE1-NH2 2.77Å; E422-R426 IonicContact OE2-NE 3.43Å; E423-R426 PolarHBondContact O-N 2.84Å; R426-L428 VanDerWaalsContact C-N 3.35Å; R426-L428 PolarHBondContact O-N 3.44Å; R426-F429 PolarHBondContact O-N 3.03Å; R426-E430 PolarHBondContact O-N 3.49Å; R426-E474 IonicContact CZ-OE2 3.62Å; R426-E474 IonicContact NH1-OE2 3.67Å; R426-E474 PolarHBondContact NH1-OE2 3.04Å; R426-E474 IonicContact NH2-OE2 3.19Å; R426-I476 HydrophobicContact CG-CD1 3.95Å
427F93.9Very high88.5Confident25 Ų2546.4 Ų46.411%0.1122%0.221CC..Hα-helixtrans-58.2-45.7176.1175.8-114.8000112.3I406 N410 F413 E423 F424 M425 K431I406-F427 HydrophobicContact CG1-CD1 4.49Å; I406-F427 HydrophobicContact CG1-CE1 3.9Å; I406-F427 VanDerWaalsContact O-CE1 3.3Å; I406-F427 WeakPolarHBondContact O-CE1 3.4Å; I406-F427 WeakPolarHBondContact O-CZ 3.32Å; N410-F427 HydrophobicContact CB-CE2 4.1Å; N410-F427 HydrophobicContact CB-CZ 3.89Å; F413-F427 HydrophobicContact CB-CE1 4.47Å; F413-F427 HydrophobicContact CD2-CB 4.29Å; F413-F427 AromaticContact CD2-CD1 3.39Å; F413-F427 HydrophobicContact CD2-CD1 3.39Å; F413-F427 HydrophobicContact CD2-CD2 4.2Å; F413-F427 AromaticContact CD2-CE1 3.59Å; F413-F427 HydrophobicContact CD2-CE1 3.59Å; F413-F427 HydrophobicContact CD2-CE2 4.38Å; F413-F427 AromaticContact CD2-CG 3.71Å; F413-F427 HydrophobicContact CD2-CG 3.71Å; F413-F427 HydrophobicContact CD2-CZ 4.08Å; F413-F427 HydrophobicContact CE2-CB 3.53Å; F413-F427 AromaticContact CE2-CD1 3.54Å; F413-F427 HydrophobicContact CE2-CD1 3.54Å; F413-F427 HydrophobicContact CE2-CD2 4.06Å; F413-F427 HydrophobicContact CE2-CE1 4.2Å; F413-F427 AromaticContact CE2-CG 3.43Å; F413-F427 HydrophobicContact CE2-CG 3.43Å; F413-F427 VanDerWaalsContact CE2-CG 3.43Å; F413-F427 HydrophobicContact CG-CD1 4.16Å; F413-F427 HydrophobicContact CG-CE1 4.23Å; F413-F427 HydrophobicContact CZ-CB 4.05Å; F413-F427 HydrophobicContact CZ-CD1 4.37Å; F413-F427 HydrophobicContact CZ-CG 4.35Å; E423-F427 WeakPolarHBondContact O-CB 3.35Å; E423-F427 PolarHBondContact O-N 2.88Å; F424-F427 HydrophobicContact CD2-CD1 4.36Å; F424-F427 HydrophobicContact CE2-CD1 4.5Å; F424-F427 PolarHBondContact O-N 2.93Å; M425-F427 PolarHBondContact O-N 2.81Å; F427-K431 HydrophobicContact CE1-CG 4.47Å; F427-K431 VanDerWaalsContact CE2-CE 3.48Å; F427-K431 HydrophobicContact CE2-CG 4.28Å; F427-K431 HydrophobicContact CZ-CD 4.49Å; F427-K431 HydrophobicContact CZ-CG 4.24Å; F427-K431 VanDerWaalsContact O-CG 3.29Å; F427-K431 WeakPolarHBondContact O-CG 3.24Å; F427-K431 PolarHBondContact O-N 2.74Å
428L94.7Very high88.3Confident0 Ų043 Ų430%023%0.228CC..Hα-helixtrans-64.9-41.8177.5173.461.2000111.9V324 M325 L328 F357 M361 F402 I406 F424 M425 R426 K431 I432V324-L428 HydrophobicContact CG1-CD2 3.68Å; M325-L428 HydrophobicContact SD-CD2 3.69Å; L328-L428 HydrophobicContact CD1-CD2 3.36Å; L328-L428 HydrophobicContact CD1-CG 4.27Å; F357-L428 HydrophobicContact CZ-CD1 4.4Å; M361-L428 HydrophobicContact CE-CD1 4.04Å; F402-L428 HydrophobicContact CZ-CD1 4.09Å; I406-L428 HydrophobicContact CD1-CB 4.26Å; I406-L428 HydrophobicContact CD1-CD1 3.33Å; I406-L428 HydrophobicContact CD1-CG 4.33Å; F424-L428 HydrophobicContact CE1-CB 4.49Å; F424-L428 HydrophobicContact CE1-CD2 4.06Å; F424-L428 HydrophobicContact CZ-CD2 4.48Å; F424-L428 VanDerWaalsContact O-CB 3.23Å; F424-L428 WeakPolarHBondContact O-CB 3.28Å; F424-L428 PolarHBondContact O-N 3.28Å; M425-L428 PolarHBondContact O-N 3.05Å; R426-L428 VanDerWaalsContact C-N 3.35Å; R426-L428 PolarHBondContact O-N 3.44Å; L428-K431 WeakPolarHBondContact O-CB 3.34Å; L428-K431 PolarHBondContact O-N 3.05Å; L428-I432 HydrophobicContact CD1-CD1 4.14Å; L428-I432 HydrophobicContact CD1-CG1 4.18Å; L428-I432 HydrophobicContact CG-CD1 4.04Å; L428-I432 VanDerWaalsContact O-CG1 3.29Å; L428-I432 WeakPolarHBondContact O-CG1 3.36Å; L428-I432 PolarHBondContact O-N 3.13Å
429F94.4Very high88.3Confident4 Ų439.9 Ų39.92%0.01821%0.213CC..Hα-helixtrans-64.9-41.1179.8-64.2-9.5000111.6L328 M425 R426 I432 E433 W451 V475 I476 W565L328-F429 HydrophobicContact CD1-CE1 4.28Å; L328-F429 HydrophobicContact CD2-CE1 3.92Å; L328-F429 HydrophobicContact CG-CE1 4.45Å; M425-F429 HydrophobicContact CB-CE1 4.49Å; M425-F429 HydrophobicContact CB-CE2 4.29Å; M425-F429 HydrophobicContact CB-CZ 4.13Å; M425-F429 HydrophobicContact CE-CE2 4.09Å; M425-F429 HydrophobicContact CE-CZ 3.65Å; M425-F429 HydrophobicContact CG-CZ 4.44Å; M425-F429 WeakPolarHBondContact O-CB 3.38Å; M425-F429 VanDerWaalsContact O-CD1 3.25Å; M425-F429 WeakPolarHBondContact O-CD1 3.47Å; M425-F429 WeakPolarHBondContact O-CD2 3.25Å; M425-F429 WeakPolarHBondContact O-CG 3.28Å; M425-F429 PolarHBondContact O-N 2.68Å; R426-F429 PolarHBondContact O-N 3.03Å; F429-I432 HydrophobicContact CD1-CD1 4.43Å; F429-I432 PolarHBondContact O-N 3.37Å; F429-E433 PolarHBondContact O-N 3.39Å; F429-W451 HydrophobicContact CD1-CZ2 4.07Å; F429-W451 AromaticContact CD1-NE1 3.93Å; F429-W451 AromaticContact CD2-NE1 3.45Å; F429-W451 HydrophobicContact CE1-CZ2 4.26Å; F429-W451 AromaticContact CE2-CD1 3.88Å; F429-W451 AromaticContact CE2-NE1 3.6Å; F429-W451 HydrophobicContact CG-CZ2 4.48Å; F429-W451 AromaticContact CG-NE1 3.62Å; F429-W451 AromaticContact CZ-NE1 3.93Å; F429-V475 HydrophobicContact CD2-CB 3.96Å; F429-V475 HydrophobicContact CD2-CG2 3.97Å; F429-V475 HydrophobicContact CE2-CB 4.46Å; F429-I476 HydrophobicContact CE2-CD1 4.18Å; F429-I476 HydrophobicContact CE2-CG1 4.06Å; F429-W565 AromaticContact CZ-CE2 3.99Å; F429-W565 HydrophobicContact CZ-CZ2 4.41Å; F429-W565 AromaticContact CZ-NE1 3.68Å
430E91.3Very high87.5Confident115 Ų11544.8 Ų44.854%0.53724%0.236SC..Hα-helixtrans-62.1-43.1172.6-172.9-173.3173.400111.4R426 I432 E433 N434R426-E430 PolarHBondContact O-N 3.49Å; E430-I432 VanDerWaalsContact C-N 3.35Å; E430-I432 PolarHBondContact O-N 3.38Å; E430-E433 PolarHBondContact O-N 2.85Å; E430-N434 WeakPolarHBondContact O-CB 3.4Å; E430-N434 VanDerWaalsContact O-CG 3.31Å; E430-N434 PolarHBondContact O-N 2.86Å; E430-N434 PolarHBondContact O-ND2 3.19Å
431K91.6Very high86.4Confident59 Ų5954.2 Ų54.226%0.25727%0.268SS..Hα-helixtrans-61.3-41.8174.8-72.8-71.9-174.1179.90112.2F357 I406 F427 L428 N435F357-K431 HydrophobicContact CE2-CB 3.82Å; F357-K431 HydrophobicContact CZ-CB 4.05Å; I406-K431 HydrophobicContact CG1-CG 4.31Å; F427-K431 HydrophobicContact CE1-CG 4.47Å; F427-K431 VanDerWaalsContact CE2-CE 3.48Å; F427-K431 HydrophobicContact CE2-CG 4.28Å; F427-K431 HydrophobicContact CZ-CD 4.49Å; F427-K431 HydrophobicContact CZ-CG 4.24Å; F427-K431 VanDerWaalsContact O-CG 3.29Å; F427-K431 WeakPolarHBondContact O-CG 3.24Å; F427-K431 PolarHBondContact O-N 2.74Å; L428-K431 WeakPolarHBondContact O-CB 3.34Å; L428-K431 PolarHBondContact O-N 3.05Å; K431-N435 WeakPolarHBondContact O-CB 3.37Å; K431-N435 PolarHBondContact O-N 3.34Å; K431-N435 VanDerWaalsContact O-N 3.09Å; K431-N435 PolarHBondContact O-ND2 2.59Å
432I92.4Very high84.7Confident1 Ų158.3 Ų58.31%0.00530%0.297CS..Hα-helixtrans-59.5-56.1174.8-69.2167000109F357 M361 L428 F429 E430 N434 N435 Q436 V447 V448F357-I432 HydrophobicContact CE1-CG1 4.19Å; F357-I432 HydrophobicContact CZ-CG1 3.89Å; M361-I432 HydrophobicContact CE-CD1 3.52Å; M361-I432 HydrophobicContact CE-CG1 3.57Å; L428-I432 HydrophobicContact CD1-CD1 4.14Å; L428-I432 HydrophobicContact CD1-CG1 4.18Å; L428-I432 HydrophobicContact CG-CD1 4.04Å; L428-I432 VanDerWaalsContact O-CG1 3.29Å; L428-I432 WeakPolarHBondContact O-CG1 3.36Å; L428-I432 PolarHBondContact O-N 3.13Å; F429-I432 HydrophobicContact CD1-CD1 4.43Å; F429-I432 PolarHBondContact O-N 3.37Å; E430-I432 VanDerWaalsContact C-N 3.35Å; E430-I432 PolarHBondContact O-N 3.38Å; I432-N434 VanDerWaalsContact C-N 3.33Å; I432-N434 PolarHBondContact O-N 2.83Å; I432-N435 PolarHBondContact O-N 2.88Å; I432-N435 VanDerWaalsContact O-N 3.09Å; I432-Q436 HydrophobicContact CG2-CG 3.99Å; I432-Q436 VanDerWaalsContact O-CG 3.25Å; I432-Q436 WeakPolarHBondContact O-CG 3.18Å; I432-Q436 PolarHBondContact O-N 2.88Å; I432-V447 HydrophobicContact CG2-CG2 3.43Å; I432-V447 VanDerWaalsContact CG2-CG2 3.43Å; I432-V448 HydrophobicContact CB-CG2 4.26Å; I432-V448 HydrophobicContact CG2-CG2 3.83Å
433E88.1Confident83.5Confident72 Ų7257.8 Ų57.834%0.33629%0.294SS..Hα-helixtrans-54.9-46.6-177.8-179.2158.4-159.700112.6F429 E430 N435 V448 R452F429-E433 PolarHBondContact O-N 3.39Å; E430-E433 PolarHBondContact O-N 2.85Å; E433-N435 PolarHBondContact O-N 2.82Å; E433-V448 HydrophobicContact CB-CG2 4.15Å; E433-R452 IonicContact OE1-CZ 3.95Å; E433-R452 IonicContact OE1-NH2 3.6Å; E433-R452 PolarHBondContact OE1-NH2 3.33Å; E433-R452 IonicContact OE2-CZ 2.81Å; E433-R452 IonicContact OE2-NH2 3.43Å; E433-R452 PolarHBondContact OE2-NH2 3.07Å
434N88.1Confident82.1Confident94 Ų9455.8 Ų55.850%0.50329%0.29SS..Hα-helixtrans-65.4-34.3179.2-74.4-28.2000113.1E430 I432 C437E430-N434 WeakPolarHBondContact O-CB 3.4Å; E430-N434 VanDerWaalsContact O-CG 3.31Å; E430-N434 PolarHBondContact O-N 2.86Å; E430-N434 PolarHBondContact O-ND2 3.19Å; I432-N434 VanDerWaalsContact C-N 3.33Å; I432-N434 PolarHBondContact O-N 2.83Å; N434-C437 PolarHBondContact O-SG 2.82Å
435N87.9Confident81Confident53 Ų5360.8 Ų60.828%0.28332%0.317SS..Hα-helixtrans-91.4-16.9-176.9-74.6-85.5000113.8F357 N358 K431 I432 E433 C437 G438F357-N435 HydrophobicContact CB-CB 4.11Å; F357-N435 WeakPolarHBondContact CB-OD1 3.47Å; F357-N435 HydrophobicContact CD1-CB 3.35Å; F357-N435 HydrophobicContact CE1-CB 3.98Å; F357-N435 HydrophobicContact CG-CB 3.89Å; N358-N435 PolarHBondContact ND2-O 3.33Å; K431-N435 WeakPolarHBondContact O-CB 3.37Å; K431-N435 PolarHBondContact O-N 3.34Å; K431-N435 VanDerWaalsContact O-N 3.09Å; K431-N435 PolarHBondContact O-ND2 2.59Å; I432-N435 PolarHBondContact O-N 2.88Å; I432-N435 VanDerWaalsContact O-N 3.09Å; E433-N435 PolarHBondContact O-N 2.82Å; N435-C437 PolarHBondContact O-N 2.88Å; N435-G438 PolarHBondContact O-N 2.8Å
436Q81Confident80.2Confident7 Ų763.5 Ų63.53%0.03333%0.331CS..Hα-helixtrans-66-25.5177.1-78.4-162.5-55.400113.1I432 G438 L439 L445I432-Q436 HydrophobicContact CG2-CG 3.99Å; I432-Q436 VanDerWaalsContact O-CG 3.25Å; I432-Q436 WeakPolarHBondContact O-CG 3.18Å; I432-Q436 PolarHBondContact O-N 2.88Å; Q436-G438 PolarHBondContact O-N 2.85Å; Q436-G438 VanDerWaalsContact O-N 3.15Å; Q436-L439 HydrophobicContact CB-CD1 4.42Å; Q436-L439 HydrophobicContact CG-CD1 4.14Å; Q436-L439 WeakPolarHBondContact O-CB 3.45Å; Q436-L439 PolarHBondContact O-N 3.23Å; Q436-L445 PolarHBondContact NE2-O 2.76Å
437C67.6Low79.9Confident88 Ų8859.9 Ų59.960%0.59532%0.318SS*.THydrogen-bonded Turntrans-60.4-23.3176730000113.9N434 N435N434-C437 PolarHBondContact O-SG 2.82Å; N435-C437 PolarHBondContact O-N 2.88Å
438G64.6Low79.8Confident61 Ų6158.7 Ų58.763%0.62931%0.312SS*.THydrogen-bonded Turntrans-83.3-9.3176.100000114.2N435 Q436N435-G438 PolarHBondContact O-N 2.8Å; Q436-G438 PolarHBondContact O-N 2.85Å; Q436-G438 VanDerWaalsContact O-N 3.15Å
439L76.1Confident79.6Confident9 Ų963.9 Ų63.95%0.04733%0.332CS..SBendtrans-75.1144.7176.3-64.3173000110.4V337 I345 N358 Q436 R441 F443V337-L439 HydrophobicContact CG1-CD1 3.66Å; I345-L439 HydrophobicContact CD1-CD2 4.14Å; I345-L439 HydrophobicContact CG1-CD2 3.94Å; N358-L439 HydrophobicContact CB-CD2 3.93Å; Q436-L439 HydrophobicContact CB-CD1 4.42Å; Q436-L439 HydrophobicContact CG-CD1 4.14Å; Q436-L439 WeakPolarHBondContact O-CB 3.45Å; Q436-L439 PolarHBondContact O-N 3.23Å; L439-R441 PolarHBondContact O-N 2.84Å; L439-F443 HydrophobicContact CB-CD2 4.4Å; L439-F443 HydrophobicContact CB-CE2 4.16Å; L439-F443 HydrophobicContact CD2-CE2 4.08Å
440H66.4Low79.5Confident121 Ų12164.3 Ų64.356%0.5634%0.335SS*.  trans-60.4135.4177.1-174.2-88.8000110.5S442 F443 S444H440-S442 PolarHBondContact CE1-OG 3.45Å; H440-S442 WeakPolarHBondContact ND1-CB 3.32Å; H440-S442 PolarHBondContact ND1-N 3.31Å; H440-S442 PolarHBondContact ND1-OG 3.16Å; H440-S442 PolarHBondContact O-N 3.26Å; H440-F443 HydrophobicContact CB-CD1 4.49Å; H440-F443 HydrophobicContact CB-CE1 3.69Å; H440-F443 HydrophobicContact CB-CE2 4.37Å; H440-F443 HydrophobicContact CB-CZ 3.63Å; H440-F443 PolarHBondContact O-N 3.31Å; H440-S444 PolarHBondContact O-N 2.94Å; H440-S444 VanDerWaalsContact O-N 3.13Å
441R68.7Low79.7Confident239 Ų23958.9 Ų58.990%0.90231%0.31SS*.THydrogen-bonded Turntrans-50.7-27.2-174.5-72.4-174.4-178.7176.90.7114.5L439 F443L439-R441 PolarHBondContact O-N 2.84Å; R441-F443 PolarHBondContact O-N 3.05Å
442S58.8Low79.9Confident85 Ų8556.4 Ų56.459%0.59430%0.299SS*.THydrogen-bonded Turntrans-68.6-14.6-179.264.50000115.1H440H440-S442 PolarHBondContact CE1-OG 3.45Å; H440-S442 WeakPolarHBondContact ND1-CB 3.32Å; H440-S442 PolarHBondContact ND1-N 3.31Å; H440-S442 PolarHBondContact ND1-OG 3.16Å; H440-S442 PolarHBondContact O-N 3.26Å
443F69.1Low80.1Confident13 Ų1356.4 Ų56.46%0.05730%0.299CS..THydrogen-bonded Turntrans-140.910.8174.749.8-94.1000113.3N341 K344 I345 L439 H440 R441 L445N341-F443 HydrophobicContact CB-CB 4.4Å; N341-F443 HydrophobicContact CB-CD2 4.13Å; N341-F443 HydrophobicContact CB-CG 4.11Å; K344-F443 HydrophobicContact CB-CE1 3.84Å; K344-F443 HydrophobicContact CB-CZ 3.83Å; K344-F443 HydrophobicContact CD-CD1 3.83Å; K344-F443 HydrophobicContact CD-CE1 3.56Å; K344-F443 HydrophobicContact CD-CZ 4.37Å; K344-F443 HydrophobicContact CG-CE1 4.35Å; I345-F443 HydrophobicContact CG1-CE2 4.15Å; L439-F443 HydrophobicContact CB-CD2 4.4Å; L439-F443 HydrophobicContact CB-CE2 4.16Å; L439-F443 HydrophobicContact CD2-CE2 4.08Å; H440-F443 HydrophobicContact CB-CD1 4.49Å; H440-F443 HydrophobicContact CB-CE1 3.69Å; H440-F443 HydrophobicContact CB-CE2 4.37Å; H440-F443 HydrophobicContact CB-CZ 3.63Å; H440-F443 PolarHBondContact O-N 3.31Å; R441-F443 PolarHBondContact O-N 3.05Å; F443-L445 PolarHBondContact O-N 2.73Å
444S62.8Low80.4Confident49 Ų4953 Ų5334%0.34328%0.283SS..  trans-73.669.9170.8175.60000110.3H440H440-S444 PolarHBondContact O-N 2.94Å; H440-S444 VanDerWaalsContact O-N 3.13Å
445L71.6Confident80.8Confident106 Ų10648.7 Ų48.756%0.55526%0.26SS*.  trans-77.9126.9157.9-83.793.4000107.8V337 Q436 F443 V447V337-L445 HydrophobicContact CG2-CB 4.07Å; Q436-L445 PolarHBondContact NE2-O 2.76Å; F443-L445 PolarHBondContact O-N 2.73Å; L445-V447 PolarHBondContact O-N 3.42Å
446D80.7Confident81.1Confident56 Ų5647.1 Ų47.130%0.29925%0.251SS..  trans-58.5105.5162.4175.9-0.5000107.3V448 R449 R452D446-V448 VanDerWaalsContact C-N 3.31Å; D446-V448 WeakPolarHBondContact OD1-CA 3.12Å; D446-V448 WeakPolarHBondContact OD1-CB 3.26Å; D446-V448 PolarHBondContact OD1-N 2.75Å; D446-R449 HydrophobicContact CB-CB 4.13Å; D446-R449 WeakPolarHBondContact O-CB 3.48Å; D446-R449 PolarHBondContact OD1-N 2.93Å; D446-R452 IonicContact OD1-NH1 2.82Å; D446-R452 IonicContact OD1-NH2 3.65Å; D446-R452 IonicContact OD2-CZ 2.93Å; D446-R452 IonicContact OD2-NH1 3.72Å; D446-R452 PolarHBondContact OD2-NH1 2.94Å; D446-R452 IonicContact OD2-NH2 3.87Å
447V89.2Confident81.6Confident1 Ų148.1 Ų48.11%0.00626%0.256CS..SBendtrans-75.7-30.3-179.5-65.20000110.1V334 V337 I432 L445 R449 S450 W451V334-V447 HydrophobicContact CG2-CB 4.37Å; V337-V447 HydrophobicContact CB-CG1 3.88Å; V337-V447 HydrophobicContact CG1-CG1 4.42Å; V337-V447 HydrophobicContact CG2-CG1 3.52Å; I432-V447 HydrophobicContact CG2-CG2 3.43Å; I432-V447 VanDerWaalsContact CG2-CG2 3.43Å; L445-V447 PolarHBondContact O-N 3.42Å; V447-R449 PolarHBondContact O-N 3.42Å; V447-S450 WeakPolarHBondContact O-CB 3.33Å; V447-S450 PolarHBondContact O-N 2.82Å; V447-S450 PolarHBondContact O-OG 3.44Å; V447-W451 HydrophobicContact CB-CH2 3.97Å; V447-W451 HydrophobicContact CB-CZ3 4.22Å; V447-W451 HydrophobicContact CG2-CH2 3.66Å; V447-W451 HydrophobicContact CG2-CZ2 4.33Å; V447-W451 HydrophobicContact CG2-CZ3 4.41Å; V447-W451 WeakPolarHBondContact O-CZ3 3.41Å
448V91.4Very high82.7Confident0 Ų047 Ų470%024%0.239CC..G310 helixtrans-63.3-32.5-179.7-175.30000110.3I432 E433 D446 S450 W451 R452 V475I432-V448 HydrophobicContact CB-CG2 4.26Å; I432-V448 HydrophobicContact CG2-CG2 3.83Å; E433-V448 HydrophobicContact CB-CG2 4.15Å; D446-V448 VanDerWaalsContact C-N 3.31Å; D446-V448 WeakPolarHBondContact OD1-CA 3.12Å; D446-V448 WeakPolarHBondContact OD1-CB 3.26Å; D446-V448 PolarHBondContact OD1-N 2.75Å; V448-S450 PolarHBondContact O-N 2.89Å; V448-W451 HydrophobicContact CB-CZ2 4.18Å; V448-W451 HydrophobicContact CG1-CZ2 4.49Å; V448-W451 HydrophobicContact CG2-CZ2 3.85Å; V448-W451 CarbonylContact O-C 3.51Å; V448-W451 PolarHBondContact O-N 2.96Å; V448-R452 VanDerWaalsContact CG1-NH2 3.26Å; V448-R452 WeakPolarHBondContact O-CB 3.47Å; V448-R452 PolarHBondContact O-N 3.24Å; V448-V475 HydrophobicContact CG1-CG1 4.12Å
449R90.4Very high83.9Confident109 Ų10945.1 Ų45.141%0.41121%0.214SC..G310 helixtrans-48.7-32.3170176.8176.7178.1-163.62.6114D446 V447 W451 I679D446-R449 HydrophobicContact CB-CB 4.13Å; D446-R449 WeakPolarHBondContact O-CB 3.48Å; D446-R449 PolarHBondContact OD1-N 2.93Å; V447-R449 PolarHBondContact O-N 3.42Å; R449-W451 PolarHBondContact O-N 3.23Å; R449-I679 WeakPolarHBondContact CG-O 3.46Å; R449-I679 VanDerWaalsContact CZ-CG2 3.48Å
450S92.5Very high84.4Confident13 Ų1345.2 Ų45.29%0.09122%0.216CC..G310 helixtrans-70.9-19.4-178.365.40000113.7S333 V447 V448 D562 W563S333-S450 PolarHBondContact OG-OG 3.17Å; V447-S450 WeakPolarHBondContact O-CB 3.33Å; V447-S450 PolarHBondContact O-N 2.82Å; V447-S450 PolarHBondContact O-OG 3.44Å; V448-S450 PolarHBondContact O-N 2.89Å; S450-D562 WeakPolarHBondContact O-CB 3.13Å; S450-D562 PolarHBondContact O-N 2.9Å; S450-W563 PolarHBondContact O-N 2.91Å
451W95.2Very high85.1Confident0 Ų042.7 Ų42.70%020%0.201CC..THydrogen-bonded Turntrans-122.9-4.3174.257.884.4000115.1L328 I331 V334 F429 V447 V448 R449 W563 W565L328-W451 HydrophobicContact CD2-CH2 4.12Å; L328-W451 HydrophobicContact CD2-CZ2 4.4Å; L328-W451 HydrophobicContact CD2-CZ3 4.49Å; I331-W451 HydrophobicContact CD1-CE3 3.71Å; I331-W451 HydrophobicContact CD1-CZ3 3.85Å; I331-W451 HydrophobicContact CG2-CE3 4.45Å; I331-W451 HydrophobicContact CG2-CZ3 4.2Å; V334-W451 HydrophobicContact CG2-CH2 3.74Å; V334-W451 HydrophobicContact CG2-CZ3 3.64Å; F429-W451 HydrophobicContact CD1-CZ2 4.07Å; F429-W451 AromaticContact CD1-NE1 3.93Å; F429-W451 AromaticContact CD2-NE1 3.45Å; F429-W451 HydrophobicContact CE1-CZ2 4.26Å; F429-W451 AromaticContact CE2-CD1 3.88Å; F429-W451 AromaticContact CE2-NE1 3.6Å; F429-W451 HydrophobicContact CG-CZ2 4.48Å; F429-W451 AromaticContact CG-NE1 3.62Å; F429-W451 AromaticContact CZ-NE1 3.93Å; V447-W451 HydrophobicContact CB-CH2 3.97Å; V447-W451 HydrophobicContact CB-CZ3 4.22Å; V447-W451 HydrophobicContact CG2-CH2 3.66Å; V447-W451 HydrophobicContact CG2-CZ2 4.33Å; V447-W451 HydrophobicContact CG2-CZ3 4.41Å; V447-W451 WeakPolarHBondContact O-CZ3 3.41Å; V448-W451 HydrophobicContact CB-CZ2 4.18Å; V448-W451 HydrophobicContact CG1-CZ2 4.49Å; V448-W451 HydrophobicContact CG2-CZ2 3.85Å; V448-W451 CarbonylContact O-C 3.51Å; V448-W451 PolarHBondContact O-N 2.96Å; R449-W451 PolarHBondContact O-N 3.23Å; W451-W563 WeakPolarHBondContact CA-O 3.42Å; W451-W563 HydrophobicContact CB-CB 4.21Å; W451-W563 VanDerWaalsContact CB-O 3.29Å; W451-W563 WeakPolarHBondContact CB-O 3.4Å; W451-W565 AromaticContact CG-CD1 3.94Å; W451-W565 AromaticContact CG-NE1 3.76Å
452R95.3Very high85.6Confident8 Ų835.5 Ų35.53%0.0318%0.18CC..  trans-73.6133.4171.8-166.5-173.7-64.4108.7-0.9110.5E433 D446 V448 E474 V475 F680E433-R452 IonicContact OE1-CZ 3.95Å; E433-R452 IonicContact OE1-NH2 3.6Å; E433-R452 PolarHBondContact OE1-NH2 3.33Å; E433-R452 IonicContact OE2-CZ 2.81Å; E433-R452 IonicContact OE2-NH2 3.43Å; E433-R452 PolarHBondContact OE2-NH2 3.07Å; D446-R452 IonicContact OD1-NH1 2.82Å; D446-R452 IonicContact OD1-NH2 3.65Å; D446-R452 IonicContact OD2-CZ 2.93Å; D446-R452 IonicContact OD2-NH1 3.72Å; D446-R452 PolarHBondContact OD2-NH1 2.94Å; D446-R452 IonicContact OD2-NH2 3.87Å; V448-R452 VanDerWaalsContact CG1-NH2 3.26Å; V448-R452 WeakPolarHBondContact O-CB 3.47Å; V448-R452 PolarHBondContact O-N 3.24Å; R452-E474 WeakPolarHBondContact CA-O 3.5Å; R452-V475 HydrophobicContact CB-CG1 4.4Å; R452-V475 HydrophobicContact CG-CG1 4.28Å; R452-F680 HydrophobicContact CG-CD1 3.96Å; R452-F680 HydrophobicContact CG-CE1 3.76Å
453F96Very high86.4Confident1 Ų135.9 Ų35.90%0.00418%0.175CC..EExtended strand (participates in β ladder)trans-138166.7177.264.9-82.6000111.3L455 P473 E474 L477 F557 P561 L564 F680F453-L455 HydrophobicContact CD2-CD2 4.15Å; F453-L455 HydrophobicContact CD2-CG 4.24Å; F453-L455 HydrophobicContact CE2-CD1 4.33Å; F453-L455 HydrophobicContact CE2-CD2 3.75Å; F453-L455 HydrophobicContact CE2-CG 3.82Å; F453-P473 WeakPolarHBondContact O-CA 3.48Å; F453-E474 HydrophobicContact CD1-CB 4.4Å; F453-E474 WeakPolarHBondContact CD1-O 3.48Å; F453-E474 HydrophobicContact CD2-CB 4.25Å; F453-E474 HydrophobicContact CE1-CB 3.87Å; F453-E474 HydrophobicContact CE2-CB 3.69Å; F453-E474 HydrophobicContact CE2-CG 4.49Å; F453-E474 HydrophobicContact CZ-CB 3.47Å; F453-E474 VanDerWaalsContact CZ-CB 3.47Å; F453-E474 HydrophobicContact CZ-CG 4.45Å; F453-E474 PolarHBondContact N-O 2.98Å; F453-E474 PolarHBondContact O-N 2.98Å; F453-E474 VanDerWaalsContact O-O 3.11Å; F453-L477 HydrophobicContact CE2-CD1 4.49Å; F453-L477 HydrophobicContact CZ-CB 3.97Å; F453-L477 HydrophobicContact CZ-CD1 4.42Å; F453-F557 AromaticContact CD2-CD1 3.89Å; F453-F557 HydrophobicContact CD2-CD1 3.89Å; F453-F557 AromaticContact CD2-CE1 3.76Å; F453-F557 HydrophobicContact CD2-CE1 3.76Å; F453-F557 HydrophobicContact CE2-CD1 4.19Å; F453-F557 AromaticContact CE2-CE1 3.68Å; F453-F557 HydrophobicContact CE2-CE1 3.68Å; F453-F557 HydrophobicContact CZ-CE1 4.43Å; F453-P561 HydrophobicContact CB-CB 4.06Å; F453-P561 HydrophobicContact CB-CG 3.84Å; F453-P561 HydrophobicContact CD1-CG 3.93Å; F453-P561 HydrophobicContact CG-CG 4.15Å; F453-L564 HydrophobicContact CD1-CD1 4.3Å; F453-L564 HydrophobicContact CE1-CD1 4.03Å; F453-L564 HydrophobicContact CZ-CD1 4.4Å; F453-F680 WeakPolarHBondContact O-CE1 3.3Å
454C95.5Very high86.6Confident0 Ų037.3 Ų37.30%019%0.187CC..EExtended strand (participates in β ladder)trans-118129.7179.6-176.20000109.1N558 T559 F680C454-N558 HydrophobicContact CB-CB 4.17Å; C454-N558 WeakPolarHBondContact O-CA 3.38Å; C454-N558 VanDerWaalsContact O-CB 3.27Å; C454-N558 WeakPolarHBondContact O-CB 3.44Å; C454-N558 PolarHBondContact O-N 3.25Å; C454-T559 HydrophobicContact CB-CG2 4.41Å; C454-T559 PolarHBondContact N-OG1 2.86Å; C454-T559 PolarHBondContact O-N 3.26Å; C454-T559 VanDerWaalsContact O-N 3.1Å; C454-F680 HydrophobicContact CB-CD1 4.1Å; C454-F680 HydrophobicContact CB-CD2 4.33Å; C454-F680 HydrophobicContact CB-CE1 3.84Å; C454-F680 HydrophobicContact CB-CE2 4.11Å; C454-F680 HydrophobicContact CB-CG 4.33Å; C454-F680 HydrophobicContact CB-CZ 3.85Å
455L95.4Very high87Confident4 Ų442.8 Ų42.82%0.02121%0.206CC..EExtended strand (participates in β ladder)trans-92.5143.1167.6-64.3174.5000109.7F453 Q471 R472 E474 F531 S556 F557F453-L455 HydrophobicContact CD2-CD2 4.15Å; F453-L455 HydrophobicContact CD2-CG 4.24Å; F453-L455 HydrophobicContact CE2-CD1 4.33Å; F453-L455 HydrophobicContact CE2-CD2 3.75Å; F453-L455 HydrophobicContact CE2-CG 3.82Å; L455-Q471 WeakPolarHBondContact O-CA 3.32Å; L455-R472 HydrophobicContact CB-CB 4.35Å; L455-R472 PolarHBondContact N-O 2.82Å; L455-R472 PolarHBondContact O-N 2.82Å; L455-E474 HydrophobicContact CD1-CG 3.81Å; L455-E474 HydrophobicContact CG-CG 4.36Å; L455-F531 HydrophobicContact CD1-CZ 3.87Å; L455-F531 HydrophobicContact CD2-CE1 4.4Å; L455-F531 HydrophobicContact CD2-CZ 4.24Å; L455-S556 CarbonylContact C-O 3.45Å; L455-S556 VanDerWaalsContact CA-O 3.29Å; L455-S556 WeakPolarHBondContact CA-O 3.34Å; L455-F557 HydrophobicContact CD2-CD1 4.07Å; L455-F557 HydrophobicContact CD2-CD2 4.49Å; L455-F557 HydrophobicContact CD2-CE1 4.26Å; L455-F557 HydrophobicContact CD2-CG 4.2Å
456E93.9Very high87.3Confident20 Ų2038.4 Ų38.49%0.09318%0.184CC..EExtended strand (participates in β ladder)trans-92.7120.3164.8-175.2179.491.200108.4Y469 L555 S556 N558 A599E456-Y469 VanDerWaalsContact CD-CD1 3.44Å; E456-Y469 HydrophobicContact CG-CD1 3.75Å; E456-Y469 HydrophobicContact CG-CE1 4.49Å; E456-Y469 WeakPolarHBondContact OE1-CD1 3.32Å; E456-Y469 WeakPolarHBondContact OE1-CE1 3.09Å; E456-L555 WeakPolarHBondContact O-CA 3.36Å; E456-S556 PolarHBondContact N-O 2.93Å; E456-S556 PolarHBondContact O-N 3.35Å; E456-N558 HydrophobicContact CB-CB 4.23Å; E456-A599 HydrophobicContact CB-CB 3.79Å; E456-A599 HydrophobicContact CG-CB 4.3Å; E456-A599 WeakPolarHBondContact OE1-CB 3.48Å
457E92.6Very high87.4Confident28 Ų2836 Ų3613%0.13117%0.171CC..EExtended strand (participates in β ladder)trans-96.9113.4170179.9-174.582.900108.9L459 Y469 N470 K553 Q554 L555E457-L459 HydrophobicContact CG-CD2 4.31Å; E457-L459 HydrophobicContact CG-CG 4.44Å; E457-Y469 CarbonylContact O-C 3.53Å; E457-Y469 VanDerWaalsContact O-CA 3.31Å; E457-Y469 WeakPolarHBondContact O-CA 3.17Å; E457-N470 HydrophobicContact CB-CB 4.22Å; E457-N470 PolarHBondContact N-O 2.89Å; E457-N470 PolarHBondContact O-N 3.09Å; E457-N470 PolarHBondContact OE1-ND2 2.89Å; E457-K553 HydrophobicContact CG-CD 4.35Å; E457-K553 HydrophobicContact CG-CG 4.1Å; E457-K553 WeakPolarHBondContact OE2-CE 3.1Å; E457-K553 IonicContact OE2-NZ 2.99Å; E457-K553 PolarHBondContact OE2-NZ 2.77Å; E457-Q554 WeakPolarHBondContact CA-O 3.49Å; E457-L555 HydrophobicContact CB-CD2 3.69Å; E457-L555 HydrophobicContact CG-CD2 3.9Å
458R90.8Very high87.2Confident63 Ų6339.9 Ų39.924%0.23819%0.188CC..EExtended strand (participates in β ladder)trans-98.3116.1174.3-178.6-179.4173.7-78.8-3.2109.2S460 V467 K468 Y469 K553 Q554R458-S460 PolarHBondContact NH1-OG 2.8Å; R458-V467 VanDerWaalsContact NH2-CG1 3.3Å; R458-K468 WeakPolarHBondContact CA-O 3.1Å; R458-Y469 HydrophobicContact CB-CD1 4.06Å; R458-Y469 HydrophobicContact CB-CE1 3.93Å; R458-Y469 HydrophobicContact CG-CD1 4.19Å; R458-Y469 HydrophobicContact CG-CE1 3.73Å; R458-K553 WeakPolarHBondContact O-CA 3.34Å; R458-Q554 PolarHBondContact N-O 2.99Å; R458-Q554 PolarHBondContact O-N 2.8Å
459L88.9Confident87Confident22 Ų2242.2 Ų42.212%0.11520%0.197CC..EExtended strand (participates in β ladder)trans-98.9124.7169.6-60175.6000108.6E457 V467 K468 L537 M551 L552 K553E457-L459 HydrophobicContact CG-CD2 4.31Å; E457-L459 HydrophobicContact CG-CG 4.44Å; L459-V467 CarbonylContact O-C 3.48Å; L459-V467 VanDerWaalsContact O-CA 3.3Å; L459-V467 WeakPolarHBondContact O-CA 3.44Å; L459-K468 HydrophobicContact CB-CB 4.26Å; L459-K468 HydrophobicContact CD1-CD 4.39Å; L459-K468 PolarHBondContact N-O 2.94Å; L459-K468 PolarHBondContact O-N 2.95Å; L459-L537 HydrophobicContact CD2-CD1 4.17Å; L459-M551 HydrophobicContact CB-CE 3.92Å; L459-M551 HydrophobicContact CD1-CE 4.18Å; L459-M551 HydrophobicContact CG-CE 4.5Å; L459-L552 CarbonylContact C-O 3.44Å; L459-L552 VanDerWaalsContact CA-O 3.3Å; L459-L552 WeakPolarHBondContact CA-O 3.4Å; L459-K553 HydrophobicContact CD2-CB 3.76Å; L459-K553 HydrophobicContact CD2-CD 4.34Å; L459-K553 HydrophobicContact CD2-CG 4.02Å
460S86.3Confident87Confident11 Ų1139.6 Ų39.68%0.07719%0.191CC..EExtended strand (participates in β ladder)trans-131.4135.6174.558.60000111.9R458 D466 M551 L552R458-S460 PolarHBondContact NH1-OG 2.8Å; S460-D466 VanDerWaalsContact CA-O 3.27Å; S460-D466 WeakPolarHBondContact CA-O 3.37Å; S460-M551 CarbonylContact O-C 3.58Å; S460-L552 PolarHBondContact N-O 2.94Å; S460-L552 PolarHBondContact O-N 3.31Å
461R81.5Confident86.9Confident68 Ų6845.6 Ų45.626%0.25722%0.218SC..EExtended strand (participates in β ladder)trans-73.6148.2172.9-73.7-178.865.4152.31.3110.8D463 C464 D466 M551R461-D463 WeakPolarHBondContact CB-OD1 3.46Å; R461-D463 IonicContact CZ-OD1 3.96Å; R461-D463 IonicContact CZ-OD2 4Å; R461-D463 IonicContact NE-OD1 2.82Å; R461-D463 PolarHBondContact NE-OD1 2.79Å; R461-D463 IonicContact NE-OD2 3.37Å; R461-D463 IonicContact NH2-OD1 2.68Å; R461-D463 PolarHBondContact NH2-OD1 3.12Å; R461-D463 IonicContact NH2-OD2 3.5Å; R461-D463 PolarHBondContact NH2-OD2 2.78Å; R461-C464 HydrophobicContact CB-CB 3.53Å; R461-C464 HydrophobicContact CG-CB 4.37Å; R461-D466 HydrophobicContact CB-CB 4.37Å; R461-D466 HydrophobicContact CG-CB 4.38Å; R461-D466 PolarHBondContact N-O 2.87Å; R461-M551 HydrophobicContact CG-CG 4.33Å
462I79.9Confident86.7Confident89 Ų8950.8 Ų50.846%0.45624%0.237SC..SBendtrans-78.7-33.2176.1-63.7-174.4000111.4C464 M536 I550 L552I462-C464 VanDerWaalsContact C-N 3.29Å; I462-C464 PolarHBondContact O-N 2.84Å; I462-M536 HydrophobicContact CD1-CE 4.28Å; I462-I550 HydrophobicContact CD1-CB 3.79Å; I462-I550 HydrophobicContact CD1-CG2 3.47Å; I462-I550 VanDerWaalsContact CD1-CG2 3.47Å; I462-I550 HydrophobicContact CG1-CB 4.27Å; I462-I550 HydrophobicContact CG1-CG2 4.24Å; I462-I550 PolarHBondContact N-O 3.21Å; I462-I550 VanDerWaalsContact N-O 3.08Å; I462-L552 HydrophobicContact CD1-CD1 4.33Å; I462-L552 HydrophobicContact CD1-CD2 4.08Å; I462-L552 HydrophobicContact CD1-CG 4.04Å; I462-L552 HydrophobicContact CG1-CD1 3.92Å; I462-L552 HydrophobicContact CG1-CD2 4.38Å; I462-L552 HydrophobicContact CG1-CG 3.78Å
463D75.9Confident86.7Confident92 Ų9253 Ų5349%0.49225%0.253SS..SBendtrans-83.7-3.9-176.259.4-21.3000114.2R461R461-D463 WeakPolarHBondContact CB-OD1 3.46Å; R461-D463 IonicContact CZ-OD1 3.96Å; R461-D463 IonicContact CZ-OD2 4Å; R461-D463 IonicContact NE-OD1 2.82Å; R461-D463 PolarHBondContact NE-OD1 2.79Å; R461-D463 IonicContact NE-OD2 3.37Å; R461-D463 IonicContact NH2-OD1 2.68Å; R461-D463 PolarHBondContact NH2-OD1 3.12Å; R461-D463 IonicContact NH2-OD2 3.5Å; R461-D463 PolarHBondContact NH2-OD2 2.78Å
464C72.1Confident86.7Confident44 Ų4454 Ų5430%0.29726%0.257SS..SBendtrans-148.4145.9-161.1-108.40000109.3R461 I462 D466R461-C464 HydrophobicContact CB-CB 3.53Å; R461-C464 HydrophobicContact CG-CB 4.37Å; I462-C464 VanDerWaalsContact C-N 3.29Å; I462-C464 PolarHBondContact O-N 2.84Å; C464-D466 HydrophobicContact CB-CB 3.84Å; C464-D466 VanDerWaalsContact CB-OD1 3.24Å; C464-D466 WeakPolarHBondContact CB-OD1 3.16Å; C464-D466 PolarHBondContact O-N 3.15Å; C464-D466 PolarHBondContact SG-OD1 3.31Å; C464-D466 PolarHBondContact SG-OD2 2.91Å
465E71.7Confident86.7Confident163 Ų16355 Ų5576%0.76226%0.264SS*.  trans-80.527.1167.8-65.1-172.4165.700112.8G605 K606E465-G605 CarbonylContact O-C 3.53Å; E465-G605 VanDerWaalsContact O-CA 3.24Å; E465-G605 WeakPolarHBondContact O-CA 3.01Å; E465-K606 PolarHBondContact O-N 2.89Å; E465-K606 VanDerWaalsContact O-N 3.13Å
466D78.3Confident86.8Confident15 Ų1555 Ų558%0.0826%0.263CS..EExtended strand (participates in β ladder)trans-82.4125.8-172.3-60.914.1000108.5S460 R461 C464 F608S460-D466 VanDerWaalsContact CA-O 3.27Å; S460-D466 WeakPolarHBondContact CA-O 3.37Å; R461-D466 HydrophobicContact CB-CB 4.37Å; R461-D466 HydrophobicContact CG-CB 4.38Å; R461-D466 PolarHBondContact N-O 2.87Å; C464-D466 HydrophobicContact CB-CB 3.84Å; C464-D466 VanDerWaalsContact CB-OD1 3.24Å; C464-D466 WeakPolarHBondContact CB-OD1 3.16Å; C464-D466 PolarHBondContact O-N 3.15Å; C464-D466 PolarHBondContact SG-OD1 3.31Å; C464-D466 PolarHBondContact SG-OD2 2.91Å; D466-F608 VanDerWaalsContact CA-CD2 3.48Å; D466-F608 HydrophobicContact CB-CB 4.4Å; D466-F608 HydrophobicContact CB-CD1 4.46Å; D466-F608 HydrophobicContact CB-CD2 3.14Å; D466-F608 HydrophobicContact CB-CE2 3.47Å; D466-F608 VanDerWaalsContact CB-CE2 3.47Å; D466-F608 HydrophobicContact CB-CG 3.73Å; D466-F608 HydrophobicContact CB-CZ 4.17Å; D466-F608 WeakPolarHBondContact OD1-CD2 3.27Å; D466-F608 WeakPolarHBondContact OD1-CE2 3.4Å; D466-F608 WeakPolarHBondContact OD1-CZ 3.31Å; D466-F608 WeakPolarHBondContact OD2-CD1 3.43Å; D466-F608 WeakPolarHBondContact OD2-CD2 3.37Å; D466-F608 WeakPolarHBondContact OD2-CE1 3.09Å; D466-F608 VanDerWaalsContact OD2-CE2 3.23Å; D466-F608 WeakPolarHBondContact OD2-CE2 3.42Å; D466-F608 WeakPolarHBondContact OD2-CG 3.02Å; D466-F608 WeakPolarHBondContact OD2-CZ 3.41Å
467V82.3Confident87Confident5 Ų554.1 Ų54.13%0.0326%0.259CS..EExtended strand (participates in β ladder)trans-127.1139.8-179.6-62.50000111R458 L459 Y469 K606 L607 F608R458-V467 VanDerWaalsContact NH2-CG1 3.3Å; L459-V467 CarbonylContact O-C 3.48Å; L459-V467 VanDerWaalsContact O-CA 3.3Å; L459-V467 WeakPolarHBondContact O-CA 3.44Å; V467-Y469 HydrophobicContact CB-CE2 4.02Å; V467-Y469 HydrophobicContact CG2-CD2 4.45Å; V467-Y469 HydrophobicContact CG2-CE2 3.68Å; V467-K606 PolarHBondContact N-O 3.43Å; V467-K606 VanDerWaalsContact N-O 3.14Å; V467-L607 HydrophobicContact CG2-CD2 4.41Å; V467-F608 PolarHBondContact O-N 3.09Å
468K84.8Confident87.2Confident83 Ų8354.3 Ų54.336%0.36126%0.264SS..EExtended strand (participates in β ladder)trans-125.6136.1169.4178.1174.9-177.1172.70108.3R458 L459 N470R458-K468 WeakPolarHBondContact CA-O 3.1Å; L459-K468 HydrophobicContact CB-CB 4.26Å; L459-K468 HydrophobicContact CD1-CD 4.39Å; L459-K468 PolarHBondContact N-O 2.94Å; L459-K468 PolarHBondContact O-N 2.95Å; K468-N470 WeakPolarHBondContact CE-OD1 3.3Å
469Y87.6Confident87.5Confident49 Ų4951.3 Ų51.319%0.19225%0.253CS..EExtended strand (participates in β ladder)trans-116.1125.2178.4-65.8-90.1000108.8E456 E457 R458 V467 P602 L607E456-Y469 VanDerWaalsContact CD-CD1 3.44Å; E456-Y469 HydrophobicContact CG-CD1 3.75Å; E456-Y469 HydrophobicContact CG-CE1 4.49Å; E456-Y469 WeakPolarHBondContact OE1-CD1 3.32Å; E456-Y469 WeakPolarHBondContact OE1-CE1 3.09Å; E457-Y469 CarbonylContact O-C 3.53Å; E457-Y469 VanDerWaalsContact O-CA 3.31Å; E457-Y469 WeakPolarHBondContact O-CA 3.17Å; R458-Y469 HydrophobicContact CB-CD1 4.06Å; R458-Y469 HydrophobicContact CB-CE1 3.93Å; R458-Y469 HydrophobicContact CG-CD1 4.19Å; R458-Y469 HydrophobicContact CG-CE1 3.73Å; V467-Y469 HydrophobicContact CB-CE2 4.02Å; V467-Y469 HydrophobicContact CG2-CD2 4.45Å; V467-Y469 HydrophobicContact CG2-CE2 3.68Å; Y469-P602 HydrophobicContact CD2-CB 4.23Å; Y469-P602 HydrophobicContact CE2-CB 3.89Å; Y469-L607 HydrophobicContact CD2-CD2 3.89Å; Y469-L607 HydrophobicContact CE2-CD2 4.24Å
470N89.8Confident87.7Confident54 Ų5452.2 Ų52.229%0.28926%0.26SS..EExtended strand (participates in β ladder)trans-114.5152.2171.8-56.4-42.1000109.3E457 K468E457-N470 HydrophobicContact CB-CB 4.22Å; E457-N470 PolarHBondContact N-O 2.89Å; E457-N470 PolarHBondContact O-N 3.09Å; E457-N470 PolarHBondContact OE1-ND2 2.89Å; K468-N470 WeakPolarHBondContact CE-OD1 3.3Å
471Q90.4Very high88Confident138 Ų13852.7 Ų52.765%0.64526%0.262SS*.EExtended strand (participates in β ladder)trans-103.1132.6172-73.4-174.8-6.600109.2L455 N558L455-Q471 WeakPolarHBondContact O-CA 3.32Å; Q471-N558 PolarHBondContact NE2-ND2 2.86Å
472R92.9Very high88.4Confident109 Ų10951.5 Ų51.541%0.41126%0.263SS..EExtended strand (participates in β ladder)trans-126.2103.4-179.7-179.5177167.3167.5-2.1110L455 E474L455-R472 HydrophobicContact CB-CB 4.35Å; L455-R472 PolarHBondContact N-O 2.82Å; L455-R472 PolarHBondContact O-N 2.82Å; R472-E474 HydrophobicContact CG-CG 4.46Å; R472-E474 IonicContact CZ-OE1 3.14Å; R472-E474 IonicContact NE-OE1 3.78Å; R472-E474 PolarHBondContact NE-OE1 3.49Å; R472-E474 IonicContact NH2-OE1 3.69Å; R472-E474 PolarHBondContact NH2-OE1 3.45Å
473P94.5Very high88.6Confident54 Ų5450.7 Ų50.735%0.35126%0.26SS..EExtended strand (participates in β ladder)trans-62.4138.5172.1-21.333.7000111.8F453 E678 F680F453-P473 WeakPolarHBondContact O-CA 3.48Å; P473-E678 WeakPolarHBondContact CB-OE2 3.23Å; P473-E678 WeakPolarHBondContact CG-OE2 3.47Å; P473-F680 HydrophobicContact CB-CE1 4.22Å; P473-F680 HydrophobicContact CB-CZ 4.15Å; P473-F680 HydrophobicContact CG-CZ 4.18Å
474E95.8Very high88.2Confident22 Ų2255.6 Ų55.610%0.10328%0.28CS..EExtended strand (participates in β ladder)trans-142.4158.2177.4-76.5-64.4169.900111R426 R452 F453 L455 R472R426-E474 IonicContact CZ-OE2 3.62Å; R426-E474 IonicContact NH1-OE2 3.67Å; R426-E474 PolarHBondContact NH1-OE2 3.04Å; R426-E474 IonicContact NH2-OE2 3.19Å; R452-E474 WeakPolarHBondContact CA-O 3.5Å; F453-E474 HydrophobicContact CD1-CB 4.4Å; F453-E474 WeakPolarHBondContact CD1-O 3.48Å; F453-E474 HydrophobicContact CD2-CB 4.25Å; F453-E474 HydrophobicContact CE1-CB 3.87Å; F453-E474 HydrophobicContact CE2-CB 3.69Å; F453-E474 HydrophobicContact CE2-CG 4.49Å; F453-E474 HydrophobicContact CZ-CB 3.47Å; F453-E474 VanDerWaalsContact CZ-CB 3.47Å; F453-E474 HydrophobicContact CZ-CG 4.45Å; F453-E474 PolarHBondContact N-O 2.98Å; F453-E474 PolarHBondContact O-N 2.98Å; F453-E474 VanDerWaalsContact O-O 3.11Å; L455-E474 HydrophobicContact CD1-CG 3.81Å; L455-E474 HydrophobicContact CG-CG 4.36Å; R472-E474 HydrophobicContact CG-CG 4.46Å; R472-E474 IonicContact CZ-OE1 3.14Å; R472-E474 IonicContact NE-OE1 3.78Å; R472-E474 PolarHBondContact NE-OE1 3.49Å; R472-E474 IonicContact NH2-OE1 3.69Å; R472-E474 PolarHBondContact NH2-OE1 3.45Å
475V96.2Very high87.1Confident23 Ų2356.9 Ų56.914%0.13930%0.3CS..SBendtrans-122.2-16.8176.4-70.50000112.8F429 V448 R452F429-V475 HydrophobicContact CD2-CB 3.96Å; F429-V475 HydrophobicContact CD2-CG2 3.97Å; F429-V475 HydrophobicContact CE2-CB 4.46Å; V448-V475 HydrophobicContact CG1-CG1 4.12Å; R452-V475 HydrophobicContact CB-CG1 4.4Å; R452-V475 HydrophobicContact CG-CG1 4.28Å
476I97.6Very high86.1Confident2 Ų250.7 Ų50.71%0.0128%0.277CS..SBendtrans-140.4128.9178.5-58.1172.6000107.7E422 M425 R426 F429 S478 W565 Q567E422-I476 HydrophobicContact CG-CD1 3.88Å; E422-I476 HydrophobicContact CG-CG2 4.27Å; M425-I476 HydrophobicContact CB-CD1 3.79Å; M425-I476 HydrophobicContact CE-CD1 3.98Å; M425-I476 HydrophobicContact CE-CG1 4.37Å; M425-I476 HydrophobicContact SD-CD1 4.47Å; R426-I476 HydrophobicContact CG-CD1 3.95Å; F429-I476 HydrophobicContact CE2-CD1 4.18Å; F429-I476 HydrophobicContact CE2-CG1 4.06Å; I476-S478 PolarHBondContact O-N 2.67Å; I476-W565 HydrophobicContact CB-CB 4.4Å; I476-W565 HydrophobicContact CG1-CB 4.05Å; I476-W565 HydrophobicContact CG2-CB 4.28Å; I476-Q567 HydrophobicContact CG2-CB 3.92Å
477L97.5Very high83.9Confident2 Ų252.3 Ų52.31%0.0130%0.297CS..EExtended strand (participates in β ladder)trans-84.4104.8173.9-179.472.1000109.9F453 L479 L528 F531 F557 L564 W565 I566 Q567F453-L477 HydrophobicContact CE2-CD1 4.49Å; F453-L477 HydrophobicContact CZ-CB 3.97Å; F453-L477 HydrophobicContact CZ-CD1 4.42Å; L477-L479 HydrophobicContact CD1-CD2 4.22Å; L477-L479 HydrophobicContact CD2-CD1 4.29Å; L477-L479 HydrophobicContact CD2-CD2 3.73Å; L477-L479 HydrophobicContact CD2-CG 4.07Å; L477-L479 HydrophobicContact CG-CD2 3.74Å; L477-L479 HydrophobicContact CG-CG 4.1Å; L477-L528 HydrophobicContact CD2-CD2 3.91Å; L477-F531 HydrophobicContact CD1-CD1 4.42Å; L477-F531 HydrophobicContact CD1-CE1 3.91Å; L477-F531 HydrophobicContact CD1-CE2 4.05Å; L477-F531 HydrophobicContact CD1-CZ 3.7Å; L477-F557 HydrophobicContact CD1-CE1 4.35Å; L477-F557 HydrophobicContact CD1-CE2 4.29Å; L477-F557 HydrophobicContact CD1-CZ 3.64Å; L477-F557 HydrophobicContact CD2-CE2 4.38Å; L477-F557 HydrophobicContact CD2-CZ 3.65Å; L477-F557 HydrophobicContact CG-CZ 4.18Å; L477-L564 HydrophobicContact CB-CD1 4.23Å; L477-W565 PolarHBondContact N-O 2.89Å; L477-I566 HydrophobicContact CB-CG1 4.41Å; L477-I566 HydrophobicContact CD2-CD1 4.37Å; L477-I566 HydrophobicContact CD2-CG1 4.14Å; L477-I566 HydrophobicContact CD2-CG2 4.5Å; L477-I566 CarbonylContact O-C 3.55Å; L477-I566 WeakPolarHBondContact O-CA 3.43Å; L477-Q567 PolarHBondContact O-N 2.82Å
478S96.5Very high81.5Confident33 Ų3359.1 Ų59.123%0.23133%0.333CS..EExtended strand (participates in β ladder)trans-89.7107.7178.2-56.80000111.2I476 Q567I476-S478 PolarHBondContact O-N 2.67Å; S478-Q567 VanDerWaalsContact CB-OE1 3.25Å; S478-Q567 PolarHBondContact OG-OE1 3.27Å
479L96.2Very high79Confident0 Ų063.3 Ų63.30%036%0.356CS..EExtended strand (participates in β ladder)trans-96.1133.1-176.6-62.7-179000112.3L477 L524 C527 L528 F531 I566 Q567 R569L477-L479 HydrophobicContact CD1-CD2 4.22Å; L477-L479 HydrophobicContact CD2-CD1 4.29Å; L477-L479 HydrophobicContact CD2-CD2 3.73Å; L477-L479 HydrophobicContact CD2-CG 4.07Å; L477-L479 HydrophobicContact CG-CD2 3.74Å; L477-L479 HydrophobicContact CG-CG 4.1Å; L479-L524 HydrophobicContact CD1-CD1 3.68Å; L479-C527 HydrophobicContact CB-CB 4.08Å; L479-C527 HydrophobicContact CD1-CB 4.18Å; L479-L528 HydrophobicContact CD1-CD2 3.92Å; L479-L528 HydrophobicContact CD1-CG 3.94Å; L479-L528 HydrophobicContact CD2-CD2 3.81Å; L479-L528 HydrophobicContact CD2-CG 4.38Å; L479-F531 HydrophobicContact CD2-CB 3.72Å; L479-F531 HydrophobicContact CD2-CD1 4.45Å; L479-F531 HydrophobicContact CD2-CD2 4.16Å; L479-F531 HydrophobicContact CD2-CG 3.85Å; L479-I566 HydrophobicContact CD1-CG2 3.46Å; L479-I566 VanDerWaalsContact CD1-CG2 3.46Å; L479-I566 HydrophobicContact CG-CG2 3.85Å; L479-Q567 PolarHBondContact N-O 2.72Å; L479-R569 WeakPolarHBondContact O-CB 3.21Å; L479-R569 WeakPolarHBondContact O-CG 3.44Å; L479-R569 PolarHBondContact O-N 2.79Å
480P94.4Very high76.5Confident41 Ų4164.6 Ų64.627%0.26638%0.377SS..  trans-70.2155.4170.732.2-33.9000111P482 C527 A530 F531P480-P482 WeakPolarHBondContact O-CD 3.36Å; P480-C527 VanDerWaalsContact O-CB 3.3Å; P480-C527 WeakPolarHBondContact O-CB 3.44Å; P480-A530 HydrophobicContact CG-CB 4.01Å; P480-F531 HydrophobicContact CG-CB 4.47Å
481V92.9Very high73.5Confident20 Ų2068.6 Ų68.612%0.12140%0.398CS..  trans-105.9102.3172.4-177.90000108.7L483 V522 V568 L582 V584 I586V481-L483 HydrophobicContact CG1-CD2 4.07Å; V481-L483 HydrophobicContact CG1-CG 4.41Å; V481-L483 PolarHBondContact O-N 2.99Å; V481-L483 VanDerWaalsContact O-N 3.11Å; V481-V522 HydrophobicContact CG1-CG2 4.35Å; V481-V568 HydrophobicContact CG2-CG1 3.35Å; V481-L582 HydrophobicContact CB-CD1 4.31Å; V481-V584 HydrophobicContact CG1-CG1 4.44Å; V481-V584 HydrophobicContact CG1-CG2 4.21Å; V481-I586 HydrophobicContact CG1-CD1 4.34Å
482P90Very high70.4Confident44 Ų4465.5 Ų65.529%0.28640%0.403SS..  trans-73.3103.7177.129.3-33.7000109.9P480 V522 A530P480-P482 WeakPolarHBondContact O-CD 3.36Å; P482-V522 HydrophobicContact CG-CG1 4.25Å; P482-A530 HydrophobicContact CB-CB 4.18Å; P482-A530 HydrophobicContact CG-CB 3.96Å
483L82.6Confident67.4Low72 Ų7268 Ų6838%0.37742%0.423SS..  trans-83.9-21.2175-67.3178.6000112.7V481 G485 A486 P520 L582 V584V481-L483 HydrophobicContact CG1-CD2 4.07Å; V481-L483 HydrophobicContact CG1-CG 4.41Å; V481-L483 PolarHBondContact O-N 2.99Å; V481-L483 VanDerWaalsContact O-N 3.11Å; L483-G485 PolarHBondContact O-N 3.41Å; L483-G485 VanDerWaalsContact O-N 3.11Å; L483-A486 WeakPolarHBondContact O-CB 3.43Å; L483-A486 PolarHBondContact O-N 3.14Å; L483-P520 HydrophobicContact CD2-CB 4.5Å; L483-L582 HydrophobicContact CD1-CD1 4.17Å; L483-L582 HydrophobicContact CD1-CD2 3.99Å; L483-V584 HydrophobicContact CD2-CG1 3.72Å
484E67.4Low64Low195 Ų19574.4 Ų74.491%0.91145%0.448SS*.THydrogen-bonded Turntrans-65.3109.6177-62.8-175.9-17600109.7
485G50.8Low60.7Low70 Ų7077.2 Ų77.272%0.72248%0.475SS*.THydrogen-bonded Turntrans104-11.4-174.700000115.4L483 G487L483-G485 PolarHBondContact O-N 3.41Å; L483-G485 VanDerWaalsContact O-N 3.11Å; G485-G487 PolarHBondContact O-N 3.33Å
486A48.7Very low57.4Low34 Ų3485 Ų8528%0.28151%0.51SS..G310 helixtrans-71.9-10.317200000112.9L483 N488 P520 V522L483-A486 WeakPolarHBondContact O-CB 3.43Å; L483-A486 PolarHBondContact O-N 3.14Å; A486-N488 PolarHBondContact O-N 3.08Å; A486-P520 HydrophobicContact CB-CB 4.09Å; A486-V522 HydrophobicContact CB-CG2 4.46Å
487G33.2Very low54.1Low48 Ų4892 Ų9250%0.49555%0.548SS..G310 helixtrans-81.11.8-173.500000117.9G485G485-G487 PolarHBondContact O-N 3.33Å
488N31.1Very low50.7Low149 Ų149102.3 Ų102.380%0.79759%0.592SS**G310 helixtrans-99.918-177.4-76.4-8.3000115.7A486A486-N488 PolarHBondContact O-N 3.08Å
489M33.3Very low47.5Very low170 Ų170105 Ų10584%0.83761%0.611SS**SBendtrans-118.50.8169-77-106.7-159.300113.6
490A34.5Very low44.4Very low76 Ų76113.3 Ų113.363%0.62866%0.655SS**SBendtrans-85.3-17.6175.600000113.2
491N28.2Very low41.2Very low139 Ų139116.2 Ų116.274%0.74368%0.682SS**SBendtrans-111109.2170.5-68.5-27.1000108.1I493N491-I493 PolarHBondContact O-N 3.02Å
492G25Very low38.3Very low73 Ų73120.8 Ų120.875%0.75371%0.71SS**  trans-57.8121.3-177.800000112.1
493I28.4Very low35.4Very low161 Ų161125.3 Ų125.383%0.82673%0.732SS**  trans-159.9109.2143.5-80.6130.1000106.1N491N491-I493 PolarHBondContact O-N 3.02Å
494E24.8Very low33Very low188 Ų188129.8 Ų129.888%0.87976%0.756SS**  trans11.6122.1150.9-54.8178.9168.200119.9
495A25.4Very low31.1Very low81 Ų81130.2 Ų130.267%0.66976%0.758SS**  trans-171.1122.3131.800000111.5
496E26.6Very low30.3Very low186 Ų186131.5 Ų131.587%0.86976%0.762SS**  trans74.978.2151.8-59.2178-177.100119.6
497D28.4Very low29.3Very low151 Ų151139 Ų13981%0.80779%0.791SS**  trans-154.280.1130.8-126.7-16.9000110.5
498K26.9Very low29.2Very low217 Ų217144.4 Ų144.494%0.94381%0.807SS**  trans-94.873.4168.9-81.3-175.4177.3175.30108.8
499S28.5Very low29.1Very low89 Ų89142 Ų14262%0.62280%0.799SS**  trans-163.7118158.350.60000110.8
500L31.7Very low28.8Very low176 Ų176142.3 Ų142.392%0.92180%0.799SS**  trans126.660.6168.2-66.8164.3000111.2
501A26.6Very low28.5Very low101 Ų101146.4 Ų146.484%0.83581%0.809SS**  trans-100.4107156.900000106.9
502V31.5Very low28.6Very low117 Ų117147.7 Ų147.771%0.70982%0.816SS**  trans-149.5109.3160.3-174.90000107.8
503D29Very low29Very low139 Ų139152.6 Ų152.674%0.74382%0.819SS**  trans50.1110.3141.2-46.5-21.9000120.1
504D34Very low29.5Very low166 Ų166149.4 Ų149.489%0.88881%0.807SS**  -175.9116.4103.4-95.5-23.1000111.3
505E27.5Very low30.7Very low203 Ų203149.4 Ų149.495%0.94980%0.804SS**  trans-78.7114.4167.4-68.1-177.4155.200109.4
506A33.5Very low32Very low98 Ų98147.1 Ų147.181%0.8179%0.788SS**  trans-155.4120.2155.900000110.7
507E28.1Very low33.6Very low191 Ų191139.6 Ų139.689%0.89376%0.756SS**  trans-61.4130.6-175-60.3168.8131.100114.1
508I31.1Very low35.3Very low162 Ų162142.6 Ų142.683%0.83176%0.756SS**  trans-141.4112.3142-52.6179.4000108.6
509P27.3Very low37.7Very low97 Ų97133.9 Ų133.963%0.6372%0.717SS**  trans-79.6146.6170.432-28.4000109.6
510H27.3Very low40.3Very low178 Ų178132.2 Ų132.282%0.82470%0.704SS**  trans106.878175.5-54.1-58.8000116.4
511L29.4Very low43Very low162 Ų162132.5 Ų132.585%0.84869%0.693SS**  trans-166.6118132.9-96.4144.6000106.3E513L511-E513 PolarHBondContact O-N 2.88Å
512N29.2Very low46.1Very low165 Ų165128.3 Ų128.388%0.88266%0.657SS**  trans-64.991.8168.2-80.3-17.7000107.5V514N512-V514 VanDerWaalsContact C-N 3.33Å; N512-V514 PolarHBondContact O-N 2.8Å
513E34.3Very low49.1Very low177 Ų177124.5 Ų124.583%0.82764%0.636SS**  trans-65.195.7167.7-76-174.2166.800108L511 K515L511-E513 PolarHBondContact O-N 2.88Å; E513-K515 PolarHBondContact O-N 2.86Å; E513-K515 VanDerWaalsContact O-N 3.12Å
514V39.2Very low52.2Low93 Ų93118 Ų11856%0.56460%0.6SS**  trans-57.9115.9165.6178.40000106.1W289 N512 G516W289-V514 HydrophobicContact CH2-CB 4.1Å; W289-V514 HydrophobicContact CH2-CG1 4.44Å; W289-V514 WeakPolarHBondContact CH2-O 3.43Å; W289-V514 HydrophobicContact CZ2-CB 3.71Å; W289-V514 HydrophobicContact CZ2-CG1 3.63Å; W289-V514 WeakPolarHBondContact CZ2-O 3.03Å; N512-V514 VanDerWaalsContact C-N 3.33Å; N512-V514 PolarHBondContact O-N 2.8Å; V514-G516 PolarHBondContact O-N 3.1Å
515K48.3Very low55.1Low188 Ų188114.5 Ų114.582%0.81758%0.578SS**PPolyproline II helixtrans-65.6125.5174.8-69.4-178.5178.1-179.60107.9E513E513-K515 PolarHBondContact O-N 2.86Å; E513-K515 VanDerWaalsContact O-N 3.12Å
516G53.4Low58.3Low33 Ų33112.4 Ų112.434%0.3456%0.561SS.*PPolyproline II helixtrans-59.3170.2176.300000113V514 R518V514-G516 PolarHBondContact O-N 3.1Å; G516-R518 PolarHBondContact O-N 3.38Å
517P59.8Low61.2Low29 Ų29107.7 Ų107.719%0.18852%0.522CS..PPolyproline II helixtrans-58.1138-178.222.7-31.8000111.9Y285 R519Y285-P517 HydrophobicContact CE1-CB 4.27Å; Y285-P517 HydrophobicContact CE1-CG 4.28Å; P517-R519 PolarHBondContact O-N 2.83Å
518R64.8Low64.4Low213 Ų21398.6 Ų98.680%0.80448%0.48SS*.  trans-77.2101.7175.4-72.2-170.3-179.8-160.92.1109.7G516G516-R518 PolarHBondContact O-N 3.38Å
519R76.1Confident67.4Low34 Ų3494.1 Ų94.113%0.12846%0.455CS..  trans-86.5140.9177.5-64.4170.7179.3131.2-3.8111.4E293 P517 R521 D583 F733E293-R519 IonicContact OE2-CZ 3.84Å; E293-R519 IonicContact OE2-NH1 3.83Å; E293-R519 PolarHBondContact OE2-NH1 3.13Å; P517-R519 PolarHBondContact O-N 2.83Å; R519-R521 PolarHBondContact O-N 2.94Å; R519-D583 VanDerWaalsContact CD-OD1 3.27Å; R519-D583 WeakPolarHBondContact CD-OD1 3.47Å; R519-D583 IonicContact CZ-OD1 3.79Å; R519-D583 VanDerWaalsContact NE-CG 3.32Å; R519-D583 IonicContact NE-OD1 2.65Å; R519-D583 PolarHBondContact NE-OD1 3.11Å; R519-D583 IonicContact NE-OD2 3.24Å; R519-D583 PolarHBondContact NE-OD2 3.05Å; R519-D583 IonicContact NH2-OD1 3.19Å; R519-F733 VanDerWaalsContact NH1-CZ 3.3Å
520P84.8Confident70.6Confident54 Ų5490.7 Ų90.735%0.35144%0.435SS..  trans-56.2135.7166.3-20.732.2000110.2L483 A486 D583 V584 S585L483-P520 HydrophobicContact CD2-CB 4.5Å; A486-P520 HydrophobicContact CB-CB 4.09Å; P520-D583 WeakPolarHBondContact CD-O 3.45Å; P520-V584 HydrophobicContact CB-CG1 4.28Å; P520-V584 HydrophobicContact CG-CG1 4.4Å; P520-S585 PolarHBondContact O-N 2.78Å
521R88.3Confident73.8Confident183 Ų18383.7 Ų83.769%0.69140%0.402SS*.EExtended strand (participates in β ladder)trans-107.9121.8179.3-57.6-172.684.5173.910.7109.9R519 S585 E732R519-R521 PolarHBondContact O-N 2.94Å; R521-S585 VanDerWaalsContact CA-O 3.31Å; R521-S585 WeakPolarHBondContact CA-O 3.48Å; R521-E732 IonicContact NH2-OE2 2.97Å; R521-E732 PolarHBondContact NH2-OE2 2.79Å
522V91.7Very high76.8Confident12 Ų1277.7 Ų77.77%0.07337%0.371CS..EExtended strand (participates in β ladder)trans-124.3143178.6-175.90000108.5V481 P482 A486 R526 S585 I586 K587V481-V522 HydrophobicContact CG1-CG2 4.35Å; P482-V522 HydrophobicContact CG-CG1 4.25Å; A486-V522 HydrophobicContact CB-CG2 4.46Å; V522-R526 HydrophobicContact CG1-CB 4.02Å; V522-S585 PolarHBondContact N-O 3.08Å; V522-I586 HydrophobicContact CB-CD1 3.97Å; V522-I586 CarbonylContact O-C 3.52Å; V522-I586 WeakPolarHBondContact O-CA 3.48Å; V522-K587 PolarHBondContact O-N 3.43Å
523S94Very high79.9Confident38 Ų3875.7 Ų75.727%0.26636%0.356SS..EExtended strand (participates in β ladder)trans-87149.2174.569.30000111.5F525 R526 C527S523-F525 PolarHBondContact O-N 3.04Å; S523-R526 WeakPolarHBondContact O-CB 3.49Å; S523-R526 PolarHBondContact O-N 3.33Å; S523-R526 VanDerWaalsContact OG-CG 3.25Å; S523-R526 WeakPolarHBondContact OG-CG 3.4Å; S523-R526 PolarHBondContact OG-N 2.73Å; S523-C527 PolarHBondContact O-N 2.89Å
524L94.7Very high82.6Confident1 Ų170.7 Ų70.71%0.00534%0.339CS..Hα-helixtrans-56.4-36.2174.6-172.664.4000112.1L479 R526 C527 L528 I566 V568 I586 K587 I588 P589 L592 Y739L479-L524 HydrophobicContact CD1-CD1 3.68Å; L524-R526 VanDerWaalsContact C-N 3.31Å; L524-R526 PolarHBondContact O-N 2.77Å; L524-C527 WeakPolarHBondContact O-CB 3.3Å; L524-C527 PolarHBondContact O-N 2.91Å; L524-L528 HydrophobicContact CG-CD1 4.33Å; L524-L528 WeakPolarHBondContact O-CG 3.41Å; L524-L528 PolarHBondContact O-N 2.76Å; L524-I566 HydrophobicContact CD1-CG2 4.43Å; L524-I566 HydrophobicContact CD2-CD1 4.45Å; L524-V568 HydrophobicContact CD1-CG2 4.43Å; L524-I586 HydrophobicContact CB-CG2 4.3Å; L524-K587 PolarHBondContact N-O 3.47Å; L524-I588 HydrophobicContact CB-CD1 4.21Å; L524-I588 HydrophobicContact CD1-CD1 4.12Å; L524-I588 HydrophobicContact CD2-CD1 4.24Å; L524-I588 HydrophobicContact CG-CD1 4.43Å; L524-P589 HydrophobicContact CD2-CG 4.31Å; L524-L592 HydrophobicContact CD2-CD1 4.16Å; L524-L592 HydrophobicContact CD2-CD2 4.03Å; L524-Y739 HydrophobicContact CD2-CE2 4.35Å
525F94.1Very high85Confident93 Ų9371.7 Ų71.741%0.40834%0.338SS..Hα-helixtrans-61.6-37.5175.8-170.6-98.9000112.4S523 L528 Q529 F597S523-F525 PolarHBondContact O-N 3.04Å; F525-L528 WeakPolarHBondContact O-CB 3.1Å; F525-L528 PolarHBondContact O-N 2.9Å; F525-Q529 HydrophobicContact CD1-CG 4.03Å; F525-Q529 HydrophobicContact CE1-CG 3.78Å; F525-Q529 HydrophobicContact CZ-CG 4.32Å; F525-Q529 WeakPolarHBondContact O-CG 3.49Å; F525-Q529 PolarHBondContact O-N 2.78Å; F525-F597 HydrophobicContact CD2-CE2 4.21Å; F525-F597 HydrophobicContact CD2-CZ 4.35Å; F525-F597 AromaticContact CE2-CE2 3.78Å; F525-F597 HydrophobicContact CE2-CE2 3.78Å; F525-F597 AromaticContact CE2-CZ 3.94Å; F525-F597 HydrophobicContact CE2-CZ 3.94Å; F525-F597 HydrophobicContact CZ-CZ 4.35Å
526R93.9Very high86.9Confident159 Ų15969 Ų6960%0.633%0.33SS*.Hα-helixtrans-66.1-38.8174-73.9-75.3-178.3159.23.5111.8V522 S523 L524 L528 Q529 A530V522-R526 HydrophobicContact CG1-CB 4.02Å; S523-R526 WeakPolarHBondContact O-CB 3.49Å; S523-R526 PolarHBondContact O-N 3.33Å; S523-R526 VanDerWaalsContact OG-CG 3.25Å; S523-R526 WeakPolarHBondContact OG-CG 3.4Å; S523-R526 PolarHBondContact OG-N 2.73Å; L524-R526 VanDerWaalsContact C-N 3.31Å; L524-R526 PolarHBondContact O-N 2.77Å; R526-L528 VanDerWaalsContact C-N 3.31Å; R526-L528 PolarHBondContact O-N 2.81Å; R526-Q529 PolarHBondContact O-N 2.86Å; R526-A530 WeakPolarHBondContact O-CB 3.43Å; R526-A530 PolarHBondContact O-N 3.11Å
527C95.5Very high88.2Confident0 Ų070.2 Ų70.20%033%0.328CS..Hα-helixtrans-62.9-38.6172.9-55.20000111.9L479 P480 S523 L524 F531L479-C527 HydrophobicContact CB-CB 4.08Å; L479-C527 HydrophobicContact CD1-CB 4.18Å; P480-C527 VanDerWaalsContact O-CB 3.3Å; P480-C527 WeakPolarHBondContact O-CB 3.44Å; S523-C527 PolarHBondContact O-N 2.89Å; L524-C527 WeakPolarHBondContact O-CB 3.3Å; L524-C527 PolarHBondContact O-N 2.91Å; C527-F531 WeakPolarHBondContact O-CB 3.44Å; C527-F531 PolarHBondContact O-N 3.36Å
528L95.5Very high88.6Confident0 Ų077.8 Ų77.80%036%0.361CS..Hα-helixtrans-68-38.9175-73.6160.4000112.7L477 L479 L524 F525 R526 F531 N532 L592 L594 F597L477-L528 HydrophobicContact CD2-CD2 3.91Å; L479-L528 HydrophobicContact CD1-CD2 3.92Å; L479-L528 HydrophobicContact CD1-CG 3.94Å; L479-L528 HydrophobicContact CD2-CD2 3.81Å; L479-L528 HydrophobicContact CD2-CG 4.38Å; L524-L528 HydrophobicContact CG-CD1 4.33Å; L524-L528 WeakPolarHBondContact O-CG 3.41Å; L524-L528 PolarHBondContact O-N 2.76Å; F525-L528 WeakPolarHBondContact O-CB 3.1Å; F525-L528 PolarHBondContact O-N 2.9Å; R526-L528 VanDerWaalsContact C-N 3.31Å; R526-L528 PolarHBondContact O-N 2.81Å; L528-F531 WeakPolarHBondContact O-CB 3.46Å; L528-F531 PolarHBondContact O-N 3.2Å; L528-N532 PolarHBondContact O-N 3.17Å; L528-N532 VanDerWaalsContact O-N 3.09Å; L528-L592 HydrophobicContact CD1-CD1 3.85Å; L528-L594 HydrophobicContact CD1-CD2 3.52Å; L528-L594 HydrophobicContact CD2-CD2 3.87Å; L528-L594 HydrophobicContact CG-CD2 4.35Å; L528-F597 HydrophobicContact CB-CE1 4Å; L528-F597 HydrophobicContact CB-CE2 3.94Å; L528-F597 HydrophobicContact CB-CZ 3.54Å; L528-F597 HydrophobicContact CD1-CE2 4.35Å; L528-F597 WeakPolarHBondContact O-CE1 3.23Å
529Q94.5Very high88.1Confident68 Ų6869.7 Ų69.732%0.31834%0.337SS..Hα-helixtrans-61.9-50172.9-73.8-178.6-52.900110.9F525 R526 F531 N532 E533 F597F525-Q529 HydrophobicContact CD1-CG 4.03Å; F525-Q529 HydrophobicContact CE1-CG 3.78Å; F525-Q529 HydrophobicContact CZ-CG 4.32Å; F525-Q529 WeakPolarHBondContact O-CG 3.49Å; F525-Q529 PolarHBondContact O-N 2.78Å; R526-Q529 PolarHBondContact O-N 2.86Å; Q529-F531 PolarHBondContact O-N 3.07Å; Q529-N532 CarbonylContact O-C 3.59Å; Q529-N532 PolarHBondContact O-N 2.95Å; Q529-E533 WeakPolarHBondContact O-CG 3.41Å; Q529-E533 PolarHBondContact O-N 3.34Å; Q529-F597 HydrophobicContact CG-CZ 4.36Å
530A93.9Very high86.7Confident24 Ų2473.3 Ų73.320%0.19837%0.367CS..Hα-helixtrans-59.3-33.4176.400000112.7P480 P482 R526P480-A530 HydrophobicContact CG-CB 4.01Å; P482-A530 HydrophobicContact CB-CB 4.18Å; P482-A530 HydrophobicContact CG-CB 3.96Å; R526-A530 WeakPolarHBondContact O-CB 3.43Å; R526-A530 PolarHBondContact O-N 3.11Å
531F94.3Very high84.5Confident32 Ų3277.4 Ų77.414%0.1439%0.386CS..Hα-helixtrans-67.4-33.6172.6173.9-94.8000113.4L455 L477 L479 P480 C527 L528 Q529 L555L455-F531 HydrophobicContact CD1-CZ 3.87Å; L455-F531 HydrophobicContact CD2-CE1 4.4Å; L455-F531 HydrophobicContact CD2-CZ 4.24Å; L477-F531 HydrophobicContact CD1-CD1 4.42Å; L477-F531 HydrophobicContact CD1-CE1 3.91Å; L477-F531 HydrophobicContact CD1-CE2 4.05Å; L477-F531 HydrophobicContact CD1-CZ 3.7Å; L479-F531 HydrophobicContact CD2-CB 3.72Å; L479-F531 HydrophobicContact CD2-CD1 4.45Å; L479-F531 HydrophobicContact CD2-CD2 4.16Å; L479-F531 HydrophobicContact CD2-CG 3.85Å; P480-F531 HydrophobicContact CG-CB 4.47Å; C527-F531 WeakPolarHBondContact O-CB 3.44Å; C527-F531 PolarHBondContact O-N 3.36Å; L528-F531 WeakPolarHBondContact O-CB 3.46Å; L528-F531 PolarHBondContact O-N 3.2Å; Q529-F531 PolarHBondContact O-N 3.07Å; F531-L555 HydrophobicContact CE1-CB 3.98Å; F531-L555 HydrophobicContact CE2-CD1 3.9Å; F531-L555 HydrophobicContact CZ-CB 3.9Å; F531-L555 HydrophobicContact CZ-CD1 3.86Å
532N93.3Very high82.3Confident35 Ų3576.4 Ų76.419%0.18740%0.395CS..Hα-helixtrans-91.9-6.3-178.5-175.9-112.3000113.6L528 Q529 Q554 L555 S556 F597L528-N532 PolarHBondContact O-N 3.17Å; L528-N532 VanDerWaalsContact O-N 3.09Å; Q529-N532 CarbonylContact O-C 3.59Å; Q529-N532 PolarHBondContact O-N 2.95Å; N532-Q554 WeakPolarHBondContact O-CG 3.4Å; N532-Q554 PolarHBondContact O-NE2 2.93Å; N532-Q554 PolarHBondContact OD1-NE2 2.94Å; N532-L555 PolarHBondContact ND2-O 2.74Å; N532-S556 PolarHBondContact ND2-OG 3.32Å; N532-F597 HydrophobicContact CB-CD1 3.76Å; N532-F597 HydrophobicContact CB-CE1 3.87Å
533E92.7Very high79.7Confident124 Ų12480.8 Ų80.858%0.57943%0.426SS*.SBendtrans-65.6137.9177.7-84.2168.9-16800111.2Q529 E535Q529-E533 WeakPolarHBondContact O-CG 3.41Å; Q529-E533 PolarHBondContact O-N 3.34Å; E533-E535 PolarHBondContact O-N 2.87Å
534P91.4Very high77.1Confident71 Ų7183.4 Ų83.446%0.46144%0.443SS..PPolyproline II helixtrans-63.4119.6175.3-22.733.4000112.2L552 K553 Q554P534-L552 HydrophobicContact CB-CB 4.36Å; P534-L552 HydrophobicContact CB-CD2 4.32Å; P534-K553 CarbonylContact C-O 3.55Å; P534-K553 WeakPolarHBondContact CA-O 3.4Å; P534-Q554 HydrophobicContact CG-CG 4.36Å
535E89.8Confident74.8Confident115 Ų11590.7 Ų90.754%0.53748%0.482SS..EExtended strand (participates in β ladder)trans-87.8131.5175-176-177.5-174.200110.2E533 L552 K553E533-E535 PolarHBondContact O-N 2.87Å; E535-L552 CarbonylContact O-C 3.51Å; E535-L552 WeakPolarHBondContact O-CA 3.18Å; E535-K553 PolarHBondContact N-O 3.48Å; E535-K553 PolarHBondContact O-N 3.49Å
536M87.5Confident72.4Confident131 Ų13194.1 Ų94.165%0.64551%0.505SS*.EExtended strand (participates in β ladder)trans-80122.1173.7-71.8-175.4-176.500110.6I462 I550 L552I462-M536 HydrophobicContact CD1-CE 4.28Å; M536-I550 HydrophobicContact CB-CG2 4.31Å; M536-I550 HydrophobicContact CG-CG2 4.3Å; M536-L552 HydrophobicContact CB-CD2 4.44Å; M536-L552 HydrophobicContact CE-CD2 4.36Å; M536-L552 HydrophobicContact CG-CD2 3.52Å
537L82.4Confident70.5Confident58 Ų5895 Ų9530%0.30451%0.513SS..EExtended strand (participates in β ladder)trans-100.6119172.2-59178.4000109.3L459 S539 M551 K553L459-L537 HydrophobicContact CD2-CD1 4.17Å; L537-S539 PolarHBondContact O-N 2.95Å; L537-M551 HydrophobicContact CB-CB 4.37Å; L537-M551 PolarHBondContact N-O 2.61Å; L537-M551 PolarHBondContact O-N 3.27Å; L537-K553 HydrophobicContact CD1-CB 3.77Å; L537-K553 HydrophobicContact CD1-CD 4.1Å; L537-K553 HydrophobicContact CG-CB 4.07Å
538E67.5Low68.7Low188 Ų188105.8 Ų105.888%0.87955%0.554SS**EExtended strand (participates in β ladder)trans-74.3108.5167.4-66.4-167.5167.900108.8S540E538-S540 PolarHBondContact O-N 3.17Å
539S54.3Low67.1Low43 Ų43107 Ų10730%0.30156%0.562SS.*  trans-73.7122.2176.866.30000110.7L537 S549L537-S539 PolarHBondContact O-N 2.95Å; S539-S549 PolarHBondContact OG-O 3.03Å
540S46.9Very low66.3Low110 Ų110107.5 Ų107.577%0.76957%0.566SS**  trans-83.6111.5159.848.60000108.1E538E538-S540 PolarHBondContact O-N 3.17Å
541N38.7Very low65.8Low141 Ų141108.9 Ų108.975%0.75457%0.569SS**  trans24.6104.4166.8-73.2-10000117.4
542N42.8Very low65.6Low162 Ų162109.3 Ų109.387%0.86657%0.572SS**  trans-146.4110.1147.1-84.8-33.1000110.1C544N542-C544 PolarHBondContact O-N 3.22Å
543S35.4Very low65.5Low104 Ų104109.5 Ų109.573%0.72757%0.571SS**SBendtrans28.286.4152.6-170.40000118.3
544C40.6Very low65.5Low93 Ų93105.7 Ų105.763%0.62855%0.554SS**SBendtrans-174.9105.8133.5-157.30000108.2N542N542-C544 PolarHBondContact O-N 3.22Å
545N46.8Very low65.6Low153 Ų153103.4 Ų103.482%0.81854%0.537SS*.SBendtrans35.491.4164.6-67.9-20.9000117.7K547N545-K547 PolarHBondContact O-N 3.24Å
546D43.6Very low65.8Low166 Ų16698.9 Ų98.989%0.88852%0.519SS*.SBendtrans76.58.7134.2-116.94.1000121.9
547K53.3Low66.2Low177 Ų17792.7 Ų92.777%0.7749%0.488SS*.SBendtrans-144.1138.1163.7-67.1-174.9-178.2171.40111.6N545 S549N545-K547 PolarHBondContact O-N 3.24Å; K547-S549 VanDerWaalsContact C-N 3.34Å; K547-S549 PolarHBondContact O-N 2.98Å
548R56.9Low66.8Low227 Ų22792 Ų9286%0.85749%0.485SS*.  trans-56.897.3165.7-69.4179.8-174.71670.1108.1I550R548-I550 PolarHBondContact O-N 3.43Å
549S63.2Low68Low24 Ų2483.7 Ų83.717%0.16845%0.447CS..  trans-79.1120.8177.545.60000109.1S539 K547S539-S549 PolarHBondContact OG-O 3.03Å; K547-S549 VanDerWaalsContact C-N 3.34Å; K547-S549 PolarHBondContact O-N 2.98Å
550I77Confident70Confident79 Ų7981.7 Ų81.741%0.40543%0.433SS..EExtended strand (participates in β ladder)trans-76.6128.7173.5-56.7170.8000107.4I462 M536 R548I462-I550 HydrophobicContact CD1-CB 3.79Å; I462-I550 HydrophobicContact CD1-CG2 3.47Å; I462-I550 VanDerWaalsContact CD1-CG2 3.47Å; I462-I550 HydrophobicContact CG1-CB 4.27Å; I462-I550 HydrophobicContact CG1-CG2 4.24Å; I462-I550 PolarHBondContact N-O 3.21Å; I462-I550 VanDerWaalsContact N-O 3.08Å; M536-I550 HydrophobicContact CB-CG2 4.31Å; M536-I550 HydrophobicContact CG-CG2 4.3Å; R548-I550 PolarHBondContact O-N 3.43Å
551M83.5Confident72.4Confident54 Ų5476.5 Ų76.527%0.26640%0.396SS..EExtended strand (participates in β ladder)trans-104.9143.3176-65.5-178.469.100109.6L459 S460 R461 L537L459-M551 HydrophobicContact CB-CE 3.92Å; L459-M551 HydrophobicContact CD1-CE 4.18Å; L459-M551 HydrophobicContact CG-CE 4.5Å; S460-M551 CarbonylContact O-C 3.58Å; R461-M551 HydrophobicContact CG-CG 4.33Å; L537-M551 HydrophobicContact CB-CB 4.37Å; L537-M551 PolarHBondContact N-O 2.61Å; L537-M551 PolarHBondContact O-N 3.27Å
552L89.5Confident75.1Confident40 Ų4072.7 Ų72.721%0.20938%0.376CS..EExtended strand (participates in β ladder)trans-104.8128.4172-66174.2000108.9L459 S460 I462 P534 E535 M536L459-L552 CarbonylContact C-O 3.44Å; L459-L552 VanDerWaalsContact CA-O 3.3Å; L459-L552 WeakPolarHBondContact CA-O 3.4Å; S460-L552 PolarHBondContact N-O 2.94Å; S460-L552 PolarHBondContact O-N 3.31Å; I462-L552 HydrophobicContact CD1-CD1 4.33Å; I462-L552 HydrophobicContact CD1-CD2 4.08Å; I462-L552 HydrophobicContact CD1-CG 4.04Å; I462-L552 HydrophobicContact CG1-CD1 3.92Å; I462-L552 HydrophobicContact CG1-CD2 4.38Å; I462-L552 HydrophobicContact CG1-CG 3.78Å; P534-L552 HydrophobicContact CB-CB 4.36Å; P534-L552 HydrophobicContact CB-CD2 4.32Å; E535-L552 CarbonylContact O-C 3.51Å; E535-L552 WeakPolarHBondContact O-CA 3.18Å; M536-L552 HydrophobicContact CB-CD2 4.44Å; M536-L552 HydrophobicContact CE-CD2 4.36Å; M536-L552 HydrophobicContact CG-CD2 3.52Å
553K91.1Very high77.7Confident39 Ų3965.7 Ų65.717%0.1734%0.338CS..EExtended strand (participates in β ladder)trans-108.5129174.6170.8172.3163.2158.30109.7E457 R458 L459 P534 E535 L537E457-K553 HydrophobicContact CG-CD 4.35Å; E457-K553 HydrophobicContact CG-CG 4.1Å; E457-K553 WeakPolarHBondContact OE2-CE 3.1Å; E457-K553 IonicContact OE2-NZ 2.99Å; E457-K553 PolarHBondContact OE2-NZ 2.77Å; R458-K553 WeakPolarHBondContact O-CA 3.34Å; L459-K553 HydrophobicContact CD2-CB 3.76Å; L459-K553 HydrophobicContact CD2-CD 4.34Å; L459-K553 HydrophobicContact CD2-CG 4.02Å; P534-K553 CarbonylContact C-O 3.55Å; P534-K553 WeakPolarHBondContact CA-O 3.4Å; E535-K553 PolarHBondContact N-O 3.48Å; E535-K553 PolarHBondContact O-N 3.49Å; L537-K553 HydrophobicContact CD1-CB 3.77Å; L537-K553 HydrophobicContact CD1-CD 4.1Å; L537-K553 HydrophobicContact CG-CB 4.07Å
554Q92.7Very high80.7Confident45 Ų4560.8 Ų60.821%0.2130%0.303CS..EExtended strand (participates in β ladder)trans-133.1137.5178.1-166.5178.23.900110.4E457 R458 N532 P534E457-Q554 WeakPolarHBondContact CA-O 3.49Å; R458-Q554 PolarHBondContact N-O 2.99Å; R458-Q554 PolarHBondContact O-N 2.8Å; N532-Q554 WeakPolarHBondContact O-CG 3.4Å; N532-Q554 PolarHBondContact O-NE2 2.93Å; N532-Q554 PolarHBondContact OD1-NE2 2.94Å; P534-Q554 HydrophobicContact CG-CG 4.36Å
555L94.3Very high83.4Confident22 Ų2256.4 Ų56.412%0.11527%0.273CS..EExtended strand (participates in β ladder)trans-110.4132.1179.2-62.9178.3000111.2E456 E457 F531 N532E456-L555 WeakPolarHBondContact O-CA 3.36Å; E457-L555 HydrophobicContact CB-CD2 3.69Å; E457-L555 HydrophobicContact CG-CD2 3.9Å; F531-L555 HydrophobicContact CE1-CB 3.98Å; F531-L555 HydrophobicContact CE2-CD1 3.9Å; F531-L555 HydrophobicContact CZ-CB 3.9Å; F531-L555 HydrophobicContact CZ-CD1 3.86Å; N532-L555 PolarHBondContact ND2-O 2.74Å
556S94.4Very high85.9Confident20 Ų2049.1 Ų49.114%0.1423%0.234CC..EExtended strand (participates in β ladder)trans-135.2161.9175-64.10000110.5L455 E456 N532 N558L455-S556 CarbonylContact C-O 3.45Å; L455-S556 VanDerWaalsContact CA-O 3.29Å; L455-S556 WeakPolarHBondContact CA-O 3.34Å; E456-S556 PolarHBondContact N-O 2.93Å; E456-S556 PolarHBondContact O-N 3.35Å; N532-S556 PolarHBondContact ND2-OG 3.32Å; S556-N558 PolarHBondContact O-N 3.3Å
557F95.5Very high88.4Confident1 Ų142.1 Ų42.10%0.00420%0.196CC..EExtended strand (participates in β ladder)trans-79117.4175.8-74.9-95.7000111.1F453 L455 L477 F560 L564 L594 F597 R598 A599F453-F557 AromaticContact CD2-CD1 3.89Å; F453-F557 HydrophobicContact CD2-CD1 3.89Å; F453-F557 AromaticContact CD2-CE1 3.76Å; F453-F557 HydrophobicContact CD2-CE1 3.76Å; F453-F557 HydrophobicContact CE2-CD1 4.19Å; F453-F557 AromaticContact CE2-CE1 3.68Å; F453-F557 HydrophobicContact CE2-CE1 3.68Å; F453-F557 HydrophobicContact CZ-CE1 4.43Å; L455-F557 HydrophobicContact CD2-CD1 4.07Å; L455-F557 HydrophobicContact CD2-CD2 4.49Å; L455-F557 HydrophobicContact CD2-CE1 4.26Å; L455-F557 HydrophobicContact CD2-CG 4.2Å; L477-F557 HydrophobicContact CD1-CE1 4.35Å; L477-F557 HydrophobicContact CD1-CE2 4.29Å; L477-F557 HydrophobicContact CD1-CZ 3.64Å; L477-F557 HydrophobicContact CD2-CE2 4.38Å; L477-F557 HydrophobicContact CD2-CZ 3.65Å; L477-F557 HydrophobicContact CG-CZ 4.18Å; F557-F560 HydrophobicContact CB-CD1 3.86Å; F557-F560 HydrophobicContact CB-CE1 3.32Å; F557-F560 HydrophobicContact CB-CZ 3.86Å; F557-F560 AromaticContact CD1-CD1 3.7Å; F557-F560 HydrophobicContact CD1-CD1 3.7Å; F557-F560 AromaticContact CD1-CE1 3.7Å; F557-F560 HydrophobicContact CD1-CE1 3.7Å; F557-F560 AromaticContact CD2-CE1 3.79Å; F557-F560 HydrophobicContact CD2-CE1 3.79Å; F557-F560 HydrophobicContact CE1-CD1 4.37Å; F557-F560 HydrophobicContact CE1-CE1 4.41Å; F557-F560 HydrophobicContact CE2-CE1 4.49Å; F557-F560 AromaticContact CG-CD1 3.82Å; F557-F560 HydrophobicContact CG-CD1 3.82Å; F557-F560 AromaticContact CG-CE1 3.32Å; F557-F560 HydrophobicContact CG-CE1 3.32Å; F557-F560 HydrophobicContact CG-CZ 4.25Å; F557-L564 HydrophobicContact CE1-CD1 4.41Å; F557-L594 HydrophobicContact CE2-CD1 4.46Å; F557-L594 HydrophobicContact CZ-CD1 4.26Å; F557-F597 HydrophobicContact CD2-CB 3.95Å; F557-F597 HydrophobicContact CE2-CB 4.41Å; F557-F597 PolarHBondContact N-O 3.12Å; F557-R598 CarbonylContact O-C 3.51Å; F557-R598 WeakPolarHBondContact O-CA 3.43Å; F557-A599 WeakPolarHBondContact O-CB 3.33Å; F557-A599 PolarHBondContact O-N 3.4Å
558N93.8Very high90.4Very high44 Ų4433.7 Ų33.724%0.23516%0.159CC..SBendtrans-77.8-43.3168.9-17636.7000110.5C454 E456 Q471 S556 R598C454-N558 HydrophobicContact CB-CB 4.17Å; C454-N558 WeakPolarHBondContact O-CA 3.38Å; C454-N558 VanDerWaalsContact O-CB 3.27Å; C454-N558 WeakPolarHBondContact O-CB 3.44Å; C454-N558 PolarHBondContact O-N 3.25Å; E456-N558 HydrophobicContact CB-CB 4.23Å; Q471-N558 PolarHBondContact NE2-ND2 2.86Å; S556-N558 PolarHBondContact O-N 3.3Å; N558-R598 PolarHBondContact O-NH1 3.47Å
559T94.5Very high92.2Very high14 Ų1429.5 Ų29.59%0.08614%0.144CC..SBendtrans-127.6153.1173670000111.3C454 F680 D682C454-T559 HydrophobicContact CB-CG2 4.41Å; C454-T559 PolarHBondContact N-OG1 2.86Å; C454-T559 PolarHBondContact O-N 3.26Å; C454-T559 VanDerWaalsContact O-N 3.1Å; T559-F680 HydrophobicContact CG2-CB 4.1Å; T559-D682 WeakPolarHBondContact CA-OD1 3.34Å; T559-D682 HydrophobicContact CG2-CB 4.21Å
560F96.2Very high93.4Very high1 Ų128.9 Ų28.90%0.00414%0.138CC..  trans-106.7129.5172.2-75.4-45.5000108.6F557 L594 R598 S681 D682 G685 Y687 R741F557-F560 HydrophobicContact CB-CD1 3.86Å; F557-F560 HydrophobicContact CB-CE1 3.32Å; F557-F560 HydrophobicContact CB-CZ 3.86Å; F557-F560 AromaticContact CD1-CD1 3.7Å; F557-F560 HydrophobicContact CD1-CD1 3.7Å; F557-F560 AromaticContact CD1-CE1 3.7Å; F557-F560 HydrophobicContact CD1-CE1 3.7Å; F557-F560 AromaticContact CD2-CE1 3.79Å; F557-F560 HydrophobicContact CD2-CE1 3.79Å; F557-F560 HydrophobicContact CE1-CD1 4.37Å; F557-F560 HydrophobicContact CE1-CE1 4.41Å; F557-F560 HydrophobicContact CE2-CE1 4.49Å; F557-F560 AromaticContact CG-CD1 3.82Å; F557-F560 HydrophobicContact CG-CD1 3.82Å; F557-F560 AromaticContact CG-CE1 3.32Å; F557-F560 HydrophobicContact CG-CE1 3.32Å; F557-F560 HydrophobicContact CG-CZ 4.25Å; F560-L594 HydrophobicContact CE1-CB 3.73Å; F560-L594 HydrophobicContact CE1-CD1 4.38Å; F560-L594 HydrophobicContact CZ-CB 3.96Å; F560-L594 VanDerWaalsContact CZ-O 3.26Å; F560-L594 WeakPolarHBondContact CZ-O 3.37Å; F560-R598 HydrophobicContact CE2-CB 3.86Å; F560-R598 HydrophobicContact CE2-CG 4.33Å; F560-R598 VanDerWaalsContact CE2-NE 3.34Å; F560-R598 HydrophobicContact CZ-CB 3.88Å; F560-S681 CarbonylContact O-C 3.56Å; F560-D682 PolarHBondContact N-OD1 3.12Å; F560-D682 WeakPolarHBondContact O-CA 3.16Å; F560-G685 VanDerWaalsContact CE2-CA 3.48Å; F560-Y687 VanDerWaalsContact CB-OH 3.3Å; F560-Y687 WeakPolarHBondContact CB-OH 3.35Å; F560-Y687 HydrophobicContact CD1-CE2 4.49Å; F560-R741 VanDerWaalsContact C-NH1 3.28Å; F560-R741 PolarHBondContact O-NH1 3.08Å; F560-R741 PolarHBondContact O-NH2 2.78Å
561P96.1Very high93.8Very high0 Ų027.3 Ų27.30%013%0.128CC..  trans-83.3165.7179.533.2-34.1000112.7F453 W563 L564 Y687 R741F453-P561 HydrophobicContact CB-CB 4.06Å; F453-P561 HydrophobicContact CB-CG 3.84Å; F453-P561 HydrophobicContact CD1-CG 3.93Å; F453-P561 HydrophobicContact CG-CG 4.15Å; P561-W563 VanDerWaalsContact C-N 3.32Å; P561-W563 WeakPolarHBondContact CB-O 3.26Å; P561-W563 WeakPolarHBondContact CG-O 3.4Å; P561-L564 HydrophobicContact CG-CB 4.16Å; P561-L564 HydrophobicContact CG-CD1 3.91Å; P561-Y687 WeakPolarHBondContact CD-OH 3.48Å; P561-Y687 VanDerWaalsContact O-CE1 3.27Å; P561-Y687 WeakPolarHBondContact O-CE1 3.48Å; P561-Y687 PolarHBondContact O-OH 3.46Å; P561-R741 VanDerWaalsContact C-CZ 3.42Å; P561-R741 PolarHBondContact O-NE 3.1Å; P561-R741 PolarHBondContact O-NH1 3.21Å; P561-R741 PolarHBondContact O-NH2 3.06Å; P561-R741 VanDerWaalsContact O-NH2 3.08Å
562D95.8Very high93.7Very high61 Ų6127.6 Ų27.633%0.32614%0.135SC..SBendtrans-71.3-33178.2-64.5-35.9000111.8S450 S681 R741S450-D562 WeakPolarHBondContact O-CB 3.13Å; S450-D562 PolarHBondContact O-N 2.9Å; D562-S681 PolarHBondContact OD1-OG 2.96Å; D562-S681 WeakPolarHBondContact OD2-CB 3.34Å; D562-S681 PolarHBondContact OD2-OG 3.31Å; D562-R741 VanDerWaalsContact N-NH2 3.14Å; D562-R741 WeakPolarHBondContact O-CB 3.17Å; D562-R741 PolarHBondContact O-N 3.37Å; D562-R741 IonicContact OD1-CZ 2.74Å; D562-R741 IonicContact OD1-NE 2.91Å; D562-R741 PolarHBondContact OD1-NE 2.99Å; D562-R741 VanDerWaalsContact OD1-NE 3.1Å; D562-R741 IonicContact OD1-NH2 3.03Å; D562-R741 PolarHBondContact OD1-NH2 3.24Å
563W97.2Very high93.3Very high16 Ų1631.7 Ų31.76%0.06115%0.152CC..EExtended strand (participates in β ladder)trans-123.1128.1172.4-68.481.5000108.9L330 I331 P332 S450 W451 P561 R690 L738 Y739 E740L330-W563 HydrophobicContact CD2-CZ3 4.4Å; L330-W563 HydrophobicContact CG-CH2 4.31Å; I331-W563 HydrophobicContact CD1-CB 4.38Å; I331-W563 HydrophobicContact CD1-CD2 4.34Å; I331-W563 HydrophobicContact CD1-CG 4.25Å; I331-W563 HydrophobicContact CG1-CD2 3.95Å; I331-W563 HydrophobicContact CG1-CE3 4.11Å; I331-W563 HydrophobicContact CG1-CG 4.3Å; I331-W563 HydrophobicContact CG1-CZ3 4.47Å; I331-W563 HydrophobicContact CG2-CD2 4.32Å; I331-W563 HydrophobicContact CG2-CG 4.21Å; P332-W563 VanDerWaalsContact CD-CZ2 3.4Å; P332-W563 HydrophobicContact CG-CZ2 4.31Å; S450-W563 PolarHBondContact O-N 2.91Å; W451-W563 WeakPolarHBondContact CA-O 3.42Å; W451-W563 HydrophobicContact CB-CB 4.21Å; W451-W563 VanDerWaalsContact CB-O 3.29Å; W451-W563 WeakPolarHBondContact CB-O 3.4Å; P561-W563 VanDerWaalsContact C-N 3.32Å; P561-W563 WeakPolarHBondContact CB-O 3.26Å; P561-W563 WeakPolarHBondContact CG-O 3.4Å; W563-R690 HydrophobicContact CH2-CB 4.45Å; W563-R690 HydrophobicContact CH2-CG 4.11Å; W563-R690 HydrophobicContact CZ3-CB 3.86Å; W563-R690 HydrophobicContact CZ3-CG 3.82Å; W563-L738 HydrophobicContact CB-CD1 4.37Å; W563-L738 HydrophobicContact CE3-CD1 3.61Å; W563-L738 HydrophobicContact CE3-CD2 3.96Å; W563-L738 HydrophobicContact CE3-CG 3.73Å; W563-L738 HydrophobicContact CZ3-CD1 4.33Å; W563-L738 HydrophobicContact CZ3-CD2 3.87Å; W563-L738 HydrophobicContact CZ3-CG 3.94Å; W563-Y739 CarbonylContact C-O 3.47Å; W563-Y739 VanDerWaalsContact CA-O 3.29Å; W563-Y739 WeakPolarHBondContact CA-O 3.12Å; W563-E740 HydrophobicContact CD2-CB 4.39Å; W563-E740 HydrophobicContact CE3-CB 4.07Å; W563-E740 HydrophobicContact CH2-CB 3.93Å; W563-E740 HydrophobicContact CH2-CG 4.12Å; W563-E740 HydrophobicContact CZ2-CB 4.18Å; W563-E740 HydrophobicContact CZ2-CG 3.93Å; W563-E740 HydrophobicContact CZ3-CB 3.87Å
564L97.9Very high92.6Very high0 Ų031.4 Ų31.40%016%0.157CC..EExtended strand (participates in β ladder)trans-112.8117.6179.9-179.165.8000109.8F453 L477 F557 P561 I566 L594 Y687 Y739F453-L564 HydrophobicContact CD1-CD1 4.3Å; F453-L564 HydrophobicContact CE1-CD1 4.03Å; F453-L564 HydrophobicContact CZ-CD1 4.4Å; L477-L564 HydrophobicContact CB-CD1 4.23Å; F557-L564 HydrophobicContact CE1-CD1 4.41Å; P561-L564 HydrophobicContact CG-CB 4.16Å; P561-L564 HydrophobicContact CG-CD1 3.91Å; L564-I566 HydrophobicContact CD2-CD1 3.94Å; L564-I566 HydrophobicContact CD2-CG1 4.01Å; L564-I566 HydrophobicContact CG-CD1 4.35Å; L564-I566 HydrophobicContact CG-CG1 3.89Å; L564-L594 HydrophobicContact CD2-CD1 3.41Å; L564-L594 VanDerWaalsContact CD2-CD1 3.41Å; L564-Y687 HydrophobicContact CB-CD1 4.14Å; L564-Y687 HydrophobicContact CB-CE1 3.79Å; L564-Y687 HydrophobicContact CD2-CE2 4.4Å; L564-Y739 PolarHBondContact N-O 3.21Å; L564-Y739 PolarHBondContact O-N 3.37Å
565W98.3Very high91.9Very high2 Ų238.8 Ų38.81%0.00819%0.191CC..EExtended strand (participates in β ladder)trans-88.2127.2168.4-63102.3000109.4A327 L328 I331 M425 F429 W451 I476 L477 I736 Y737 L738A327-W565 HydrophobicContact CB-CH2 3.67Å; A327-W565 HydrophobicContact CB-CZ3 4.05Å; L328-W565 HydrophobicContact CD2-CZ2 4.09Å; L328-W565 HydrophobicContact CG-CZ2 4.49Å; I331-W565 HydrophobicContact CD1-CZ2 3.87Å; M425-W565 HydrophobicContact CE-CB 4.19Å; M425-W565 HydrophobicContact CE-CD2 3.36Å; M425-W565 HydrophobicContact CE-CE3 3.3Å; M425-W565 HydrophobicContact CE-CG 3.77Å; M425-W565 HydrophobicContact CE-CH2 4.24Å; M425-W565 HydrophobicContact CE-CZ2 4.31Å; M425-W565 HydrophobicContact CE-CZ3 3.76Å; F429-W565 AromaticContact CZ-CE2 3.99Å; F429-W565 HydrophobicContact CZ-CZ2 4.41Å; F429-W565 AromaticContact CZ-NE1 3.68Å; W451-W565 AromaticContact CG-CD1 3.94Å; W451-W565 AromaticContact CG-NE1 3.76Å; I476-W565 HydrophobicContact CB-CB 4.4Å; I476-W565 HydrophobicContact CG1-CB 4.05Å; I476-W565 HydrophobicContact CG2-CB 4.28Å; L477-W565 PolarHBondContact N-O 2.89Å; W565-I736 HydrophobicContact CE3-CG2 3.83Å; W565-I736 HydrophobicContact CZ3-CG2 4.33Å; W565-Y737 WeakPolarHBondContact CA-O 3.43Å; W565-L738 HydrophobicContact CD2-CD1 3.67Å; W565-L738 HydrophobicContact CE3-CB 4.02Å; W565-L738 HydrophobicContact CE3-CD1 3.76Å; W565-L738 HydrophobicContact CE3-CG 4.39Å; W565-L738 HydrophobicContact CG-CD1 4.38Å; W565-L738 HydrophobicContact CH2-CB 4.37Å; W565-L738 HydrophobicContact CH2-CD1 3.85Å; W565-L738 HydrophobicContact CH2-CD2 3.8Å; W565-L738 HydrophobicContact CH2-CG 4.22Å; W565-L738 HydrophobicContact CZ2-CD1 3.71Å; W565-L738 HydrophobicContact CZ2-CD2 4.23Å; W565-L738 HydrophobicContact CZ3-CB 3.83Å; W565-L738 HydrophobicContact CZ3-CD1 3.87Å; W565-L738 HydrophobicContact CZ3-CD2 4.11Å; W565-L738 HydrophobicContact CZ3-CG 4.15Å
566I98.3Very high91.1Very high0 Ų042.7 Ų42.70%021%0.212CC..EExtended strand (participates in β ladder)trans-120.4120.2177.1-55.4-179.7000108.8L477 L479 L524 L564 L592 I736 Y737 Y739L477-I566 HydrophobicContact CB-CG1 4.41Å; L477-I566 HydrophobicContact CD2-CD1 4.37Å; L477-I566 HydrophobicContact CD2-CG1 4.14Å; L477-I566 HydrophobicContact CD2-CG2 4.5Å; L477-I566 CarbonylContact O-C 3.55Å; L477-I566 WeakPolarHBondContact O-CA 3.43Å; L479-I566 HydrophobicContact CD1-CG2 3.46Å; L479-I566 VanDerWaalsContact CD1-CG2 3.46Å; L479-I566 HydrophobicContact CG-CG2 3.85Å; L524-I566 HydrophobicContact CD1-CG2 4.43Å; L524-I566 HydrophobicContact CD2-CD1 4.45Å; L564-I566 HydrophobicContact CD2-CD1 3.94Å; L564-I566 HydrophobicContact CD2-CG1 4.01Å; L564-I566 HydrophobicContact CG-CD1 4.35Å; L564-I566 HydrophobicContact CG-CG1 3.89Å; I566-L592 HydrophobicContact CD1-CD2 3.77Å; I566-I736 CarbonylContact O-C 3.58Å; I566-I736 VanDerWaalsContact O-CA 3.32Å; I566-I736 WeakPolarHBondContact O-CA 3.18Å; I566-Y737 PolarHBondContact N-O 3.32Å; I566-Y737 PolarHBondContact O-N 3.1Å; I566-Y739 HydrophobicContact CD1-CD2 3.86Å; I566-Y739 HydrophobicContact CD1-CE2 4.02Å; I566-Y739 HydrophobicContact CG1-CD2 4.47Å
567Q97.5Very high90.4Very high18 Ų1851.2 Ų51.28%0.08424%0.242CC..EExtended strand (participates in β ladder)trans-94.5126.7167.4177.5-162.23000108.4E422 I476 L477 S478 L479 Y735 I736E422-Q567 HydrophobicContact CB-CG 4.42Å; E422-Q567 HydrophobicContact CG-CB 4.25Å; E422-Q567 HydrophobicContact CG-CG 4.14Å; I476-Q567 HydrophobicContact CG2-CB 3.92Å; L477-Q567 PolarHBondContact O-N 2.82Å; S478-Q567 VanDerWaalsContact CB-OE1 3.25Å; S478-Q567 PolarHBondContact OG-OE1 3.27Å; L479-Q567 PolarHBondContact N-O 2.72Å; Q567-Y735 HydrophobicContact CG-CD2 4.37Å; Q567-Y735 HydrophobicContact CG-CE2 3.67Å; Q567-Y735 PolarHBondContact NE2-OH 3Å; Q567-I736 HydrophobicContact CB-CD1 3.61Å; Q567-I736 HydrophobicContact CG-CD1 3.7Å
568V95.7Very high89.3Confident0 Ų057.1 Ų57.10%026%0.264CS..EExtended strand (participates in β ladder)trans-90.6118.3165.8179.70000107.9V481 L524 K570 I586 Y735 Y737V481-V568 HydrophobicContact CG2-CG1 3.35Å; L524-V568 HydrophobicContact CD1-CG2 4.43Å; V568-K570 HydrophobicContact CB-CG 4.34Å; V568-K570 HydrophobicContact CG1-CG 3.83Å; V568-K570 PolarHBondContact O-N 2.81Å; V568-I586 HydrophobicContact CG1-CD1 4.26Å; V568-I586 HydrophobicContact CG1-CG1 4.05Å; V568-Y735 PolarHBondContact N-O 2.74Å; V568-Y735 WeakPolarHBondContact O-CD2 3.42Å; V568-Y735 VanDerWaalsContact O-CE2 3.24Å; V568-Y735 WeakPolarHBondContact O-CE2 3.38Å; V568-Y737 HydrophobicContact CG2-CD2 4.09Å; V568-Y737 HydrophobicContact CG2-CE2 3.69Å
569R93Very high88.5Confident140 Ų14057 Ų5753%0.52827%0.266SS..  trans-72.477.2-177.8-65.7176.465.1-173.3-0.6111.3L479 F571L479-R569 WeakPolarHBondContact O-CB 3.21Å; L479-R569 WeakPolarHBondContact O-CG 3.44Å; L479-R569 PolarHBondContact O-N 2.79Å; R569-F571 PolarHBondContact O-N 2.96Å
570K88.2Confident87.8Confident10 Ų1059.2 Ų59.24%0.04328%0.276CS..  trans-83.56.6176.3-61.7-171.1-179.7-173.40113V568 K581 L582 V584 E732 F733 G734V568-K570 HydrophobicContact CB-CG 4.34Å; V568-K570 HydrophobicContact CG1-CG 3.83Å; V568-K570 PolarHBondContact O-N 2.81Å; K570-K581 CarbonylContact O-C 3.55Å; K570-K581 WeakPolarHBondContact O-CA 3.38Å; K570-L582 PolarHBondContact O-N 3.46Å; K570-V584 HydrophobicContact CD-CG2 4.18Å; K570-V584 HydrophobicContact CG-CG2 4.17Å; K570-V584 PolarHBondContact NZ-O 2.86Å; K570-E732 PolarHBondContact NZ-O 3.11Å; K570-F733 VanDerWaalsContact NZ-C 3.29Å; K570-F733 PolarHBondContact NZ-O 3.4Å; K570-G734 WeakPolarHBondContact CE-O 3.47Å; K570-G734 PolarHBondContact NZ-O 3.18Å
571F85.8Confident87.2Confident47 Ų4760.9 Ų60.921%0.20628%0.283CS..EExtended strand (participates in β ladder)trans-118130.6177-58.1-76.7000109.4R569 I580 K581 H695 A700 Y735R569-F571 PolarHBondContact O-N 2.96Å; F571-I580 WeakPolarHBondContact CA-O 3.32Å; F571-K581 HydrophobicContact CD1-CB 4.06Å; F571-K581 HydrophobicContact CD1-CG 4.25Å; F571-K581 HydrophobicContact CE1-CB 3.87Å; F571-K581 HydrophobicContact CE1-CD 4.32Å; F571-K581 HydrophobicContact CE1-CG 3.76Å; F571-K581 HydrophobicContact CZ-CG 4.42Å; F571-H695 AromaticContact CZ-ND1 3.96Å; F571-A700 HydrophobicContact CD1-CB 3.7Å; F571-A700 HydrophobicContact CE1-CB 4.09Å; F571-Y735 HydrophobicContact CD2-CE1 4.46Å; F571-Y735 AromaticContact CD2-CE2 3.85Å; F571-Y735 HydrophobicContact CD2-CE2 3.85Å; F571-Y735 AromaticContact CD2-CZ 3.76Å; F571-Y735 HydrophobicContact CE2-CD1 4.24Å; F571-Y735 HydrophobicContact CE2-CD2 4.14Å; F571-Y735 AromaticContact CE2-CE1 3.78Å; F571-Y735 HydrophobicContact CE2-CE1 3.78Å; F571-Y735 AromaticContact CE2-CE2 3.71Å; F571-Y735 HydrophobicContact CE2-CE2 3.71Å; F571-Y735 HydrophobicContact CE2-CG 4.4Å; F571-Y735 AromaticContact CE2-CZ 3.5Å
572S82.7Confident86.7Confident59 Ų5962.2 Ų62.241%0.41329%0.29SS..EExtended strand (participates in β ladder)trans-142.7178.7-179.2-1660000110.1P579 I580S572-P579 WeakPolarHBondContact O-CA 3.25Å; S572-I580 PolarHBondContact N-O 2.76Å; S572-I580 WeakPolarHBondContact O-CG1 3.18Å; S572-I580 PolarHBondContact O-N 3.14Å
573F80.8Confident86Confident126 Ų12661.9 Ų61.955%0.55329%0.288SS*.EExtended strand (participates in β ladder)trans-102135.2169.7-64.9-76.4000109.8W577 R578 P579F573-W577 HydrophobicContact CB-CE3 4.32Å; F573-W577 VanDerWaalsContact CD1-O 3.32Å; F573-W577 WeakPolarHBondContact CD1-O 3.43Å; F573-W577 HydrophobicContact CG-CE3 4.25Å; F573-R578 WeakPolarHBondContact CA-O 3.19Å; F573-P579 HydrophobicContact CD1-CG 4.31Å; F573-P579 HydrophobicContact CE1-CG 3.99Å
574A76.1Confident85.5Confident33 Ų3361.3 Ų61.327%0.27329%0.287SS..  trans-69.9171163.200000110.3N576 W577 R578 I580A574-N576 WeakPolarHBondContact CB-OD1 3.14Å; A574-N576 PolarHBondContact O-N 3.45Å; A574-N576 VanDerWaalsContact O-N 3.08Å; A574-W577 WeakPolarHBondContact O-CA 3.31Å; A574-W577 PolarHBondContact O-N 3.01Å; A574-R578 PolarHBondContact N-O 3.45Å; A574-I580 HydrophobicContact CB-CD1 4.37Å; A574-I580 HydrophobicContact CB-CG2 3.92Å
575E77.8Confident85.2Confident200 Ų20061.5 Ų61.594%0.93529%0.288SS*.THydrogen-bonded Turntrans-56.4-28.2-179.5-64.6-178.5176.600113.4W577E575-W577 VanDerWaalsContact C-N 3.3Å; E575-W577 PolarHBondContact O-N 2.94Å
576N78.1Confident84.9Confident105 Ų10561.4 Ų61.456%0.56129%0.288SS*.THydrogen-bonded Turntrans-87.613.417667.8-7.1000114A574 R578A574-N576 WeakPolarHBondContact CB-OD1 3.14Å; A574-N576 PolarHBondContact O-N 3.45Å; A574-N576 VanDerWaalsContact O-N 3.08Å; N576-R578 PolarHBondContact O-N 2.97Å; N576-R578 WeakPolarHBondContact OD1-CB 3.18Å; N576-R578 PolarHBondContact OD1-N 3.4Å; N576-R578 VanDerWaalsContact OD1-N 3.1Å
577W78.5Confident84.8Confident199 Ų19968.9 Ų68.975%0.75432%0.32SS*.SBendtrans63.115.3-176.4-57.293.6000115.3F573 A574 E575F573-W577 HydrophobicContact CB-CE3 4.32Å; F573-W577 VanDerWaalsContact CD1-O 3.32Å; F573-W577 WeakPolarHBondContact CD1-O 3.43Å; F573-W577 HydrophobicContact CG-CE3 4.25Å; A574-W577 WeakPolarHBondContact O-CA 3.31Å; A574-W577 PolarHBondContact O-N 3.01Å; E575-W577 VanDerWaalsContact C-N 3.3Å; E575-W577 PolarHBondContact O-N 2.94Å
578R73.4Confident84.7Confident125 Ų12568.7 Ų68.747%0.47232%0.32SS..  trans-74.2130.1170.7-177.3174170173.2-6.2109.9D250 F573 A574 N576 I580D250-R578 IonicContact OD1-NH1 3.4Å; D250-R578 IonicContact OD2-NH1 3.48Å; F573-R578 WeakPolarHBondContact CA-O 3.19Å; A574-R578 PolarHBondContact N-O 3.45Å; N576-R578 PolarHBondContact O-N 2.97Å; N576-R578 WeakPolarHBondContact OD1-CB 3.18Å; N576-R578 PolarHBondContact OD1-N 3.4Å; N576-R578 VanDerWaalsContact OD1-N 3.1Å; R578-I580 PolarHBondContact O-N 2.81Å
579P76.2Confident84.7Confident42 Ų4270.9 Ų70.927%0.27333%0.334SS..EExtended strand (participates in β ladder)trans-62.3128171.3-24.335.9000111.2S572 F573 A700S572-P579 WeakPolarHBondContact O-CA 3.25Å; F573-P579 HydrophobicContact CD1-CG 4.31Å; F573-P579 HydrophobicContact CE1-CG 3.99Å; P579-A700 HydrophobicContact CB-CB 3.78Å
580I79.8Confident84.7Confident60 Ų6069.9 Ų69.931%0.30834%0.335SS..EExtended strand (participates in β ladder)trans-123.2144.417858.9168.5000110.5F571 S572 A574 R578 L582F571-I580 WeakPolarHBondContact CA-O 3.32Å; S572-I580 PolarHBondContact N-O 2.76Å; S572-I580 WeakPolarHBondContact O-CG1 3.18Å; S572-I580 PolarHBondContact O-N 3.14Å; A574-I580 HydrophobicContact CB-CD1 4.37Å; A574-I580 HydrophobicContact CB-CG2 3.92Å; R578-I580 PolarHBondContact O-N 2.81Å; I580-L582 HydrophobicContact CD1-CD2 4.09Å
581K84.4Confident85.2Confident36 Ų3673.3 Ų73.316%0.15735%0.353CS..EExtended strand (participates in β ladder)trans-90.7123.4166.7-175.3-171.8178.1-166.90108.1E290 K570 F571 D583 H695 G697E290-K581 IonicContact OE1-NZ 2.76Å; E290-K581 PolarHBondContact OE1-NZ 2.86Å; E290-K581 IonicContact OE2-NZ 2.77Å; E290-K581 PolarHBondContact OE2-NZ 3.36Å; E290-K581 VanDerWaalsContact OE2-NZ 3.14Å; K570-K581 CarbonylContact O-C 3.55Å; K570-K581 WeakPolarHBondContact O-CA 3.38Å; F571-K581 HydrophobicContact CD1-CB 4.06Å; F571-K581 HydrophobicContact CD1-CG 4.25Å; F571-K581 HydrophobicContact CE1-CB 3.87Å; F571-K581 HydrophobicContact CE1-CD 4.32Å; F571-K581 HydrophobicContact CE1-CG 3.76Å; F571-K581 HydrophobicContact CZ-CG 4.42Å; K581-D583 PolarHBondContact O-N 3.5Å; K581-H695 PolarHBondContact NZ-O 2.78Å; K581-G697 WeakPolarHBondContact CD-O 3.32Å; K581-G697 PolarHBondContact NZ-O 2.96Å
582L85.5Confident85.7Confident27 Ų2771.4 Ų71.414%0.14135%0.345CS..  trans-73.7106.9171.8-56.3-178.1000108.5V481 L483 K570 I580 V584V481-L582 HydrophobicContact CB-CD1 4.31Å; L483-L582 HydrophobicContact CD1-CD1 4.17Å; L483-L582 HydrophobicContact CD1-CD2 3.99Å; K570-L582 PolarHBondContact O-N 3.46Å; I580-L582 HydrophobicContact CD1-CD2 4.09Å; L582-V584 VanDerWaalsContact C-N 3.29Å; L582-V584 HydrophobicContact CB-CG1 4.2Å; L582-V584 HydrophobicContact CB-CG2 4.44Å; L582-V584 PolarHBondContact O-N 3.38Å
583D81.1Confident86.3Confident54 Ų5472.5 Ų72.529%0.28935%0.346SS..  trans-77.878.3176.3-170.622.7000110.8R519 P520 K581R519-D583 VanDerWaalsContact CD-OD1 3.27Å; R519-D583 WeakPolarHBondContact CD-OD1 3.47Å; R519-D583 IonicContact CZ-OD1 3.79Å; R519-D583 VanDerWaalsContact NE-CG 3.32Å; R519-D583 IonicContact NE-OD1 2.65Å; R519-D583 PolarHBondContact NE-OD1 3.11Å; R519-D583 IonicContact NE-OD2 3.24Å; R519-D583 PolarHBondContact NE-OD2 3.05Å; R519-D583 IonicContact NH2-OD1 3.19Å; P520-D583 WeakPolarHBondContact CD-O 3.45Å; K581-D583 PolarHBondContact O-N 3.5Å
584V86.7Confident87Confident4 Ų466.5 Ų66.52%0.02432%0.32CS..  trans-120.2143.2-175.4-630000112.2V481 L483 P520 K570 L582 I586V481-V584 HydrophobicContact CG1-CG1 4.44Å; V481-V584 HydrophobicContact CG1-CG2 4.21Å; L483-V584 HydrophobicContact CD2-CG1 3.72Å; P520-V584 HydrophobicContact CB-CG1 4.28Å; P520-V584 HydrophobicContact CG-CG1 4.4Å; K570-V584 HydrophobicContact CD-CG2 4.18Å; K570-V584 HydrophobicContact CG-CG2 4.17Å; K570-V584 PolarHBondContact NZ-O 2.86Å; L582-V584 VanDerWaalsContact C-N 3.29Å; L582-V584 HydrophobicContact CB-CG1 4.2Å; L582-V584 HydrophobicContact CB-CG2 4.44Å; L582-V584 PolarHBondContact O-N 3.38Å; V584-I586 HydrophobicContact CB-CD1 4.41Å; V584-I586 HydrophobicContact CG2-CD1 3.82Å; V584-I586 HydrophobicContact CG2-CG1 4.32Å
585S90.9Very high87.8Confident4 Ų467.2 Ų67.23%0.02832%0.323CS..EExtended strand (participates in β ladder)trans-92.2123.5167.3149.70000108.6P520 R521 V522 E732P520-S585 PolarHBondContact O-N 2.78Å; R521-S585 VanDerWaalsContact CA-O 3.31Å; R521-S585 WeakPolarHBondContact CA-O 3.48Å; V522-S585 PolarHBondContact N-O 3.08Å; S585-E732 PolarHBondContact OG-OE2 2.96Å
586I93.3Very high88.6Confident0 Ų061.9 Ų61.90%031%0.308CS..EExtended strand (participates in β ladder)trans-102.6122175-51.6-61000109V481 V522 L524 V568 V584 I588 E732V481-I586 HydrophobicContact CG1-CD1 4.34Å; V522-I586 HydrophobicContact CB-CD1 3.97Å; V522-I586 CarbonylContact O-C 3.52Å; V522-I586 WeakPolarHBondContact O-CA 3.48Å; L524-I586 HydrophobicContact CB-CG2 4.3Å; V568-I586 HydrophobicContact CG1-CD1 4.26Å; V568-I586 HydrophobicContact CG1-CG1 4.05Å; V584-I586 HydrophobicContact CB-CD1 4.41Å; V584-I586 HydrophobicContact CG2-CD1 3.82Å; V584-I586 HydrophobicContact CG2-CG1 4.32Å; I586-I588 HydrophobicContact CB-CD1 4.05Å; I586-I588 HydrophobicContact CG2-CD1 3.56Å; I586-I588 HydrophobicContact CG2-CG1 4.37Å; I586-I588 WeakPolarHBondContact O-CG1 3.31Å; I586-I588 PolarHBondContact O-N 2.93Å; I586-I588 VanDerWaalsContact O-N 3.07Å; I586-E732 PolarHBondContact N-O 2.97Å; I586-E732 WeakPolarHBondContact O-CA 3.32Å; I586-E732 WeakPolarHBondContact O-CB 3.42Å
587K94.5Very high89.3Confident157 Ų15757.3 Ų57.368%0.68328%0.283SS*.EExtended strand (participates in β ladder)trans-72.4105.3172.2-174.7178.3-179.91770109.3V522 L524V522-K587 PolarHBondContact O-N 3.43Å; L524-K587 PolarHBondContact N-O 3.47Å
588I95.7Very high90Very high14 Ų1451.4 Ų51.47%0.07226%0.261CS..  trans-95.5122-178.5-57.3-64.1000110L524 I586 L689 N731 Y737 Y739L524-I588 HydrophobicContact CB-CD1 4.21Å; L524-I588 HydrophobicContact CD1-CD1 4.12Å; L524-I588 HydrophobicContact CD2-CD1 4.24Å; L524-I588 HydrophobicContact CG-CD1 4.43Å; I586-I588 HydrophobicContact CB-CD1 4.05Å; I586-I588 HydrophobicContact CG2-CD1 3.56Å; I586-I588 HydrophobicContact CG2-CG1 4.37Å; I586-I588 WeakPolarHBondContact O-CG1 3.31Å; I586-I588 PolarHBondContact O-N 2.93Å; I586-I588 VanDerWaalsContact O-N 3.07Å; I588-L689 HydrophobicContact CG2-CD1 4.37Å; I588-L689 HydrophobicContact CG2-CD2 4.02Å; I588-N731 WeakPolarHBondContact CG1-O 3.45Å; I588-Y737 HydrophobicContact CB-CE1 4.28Å; I588-Y737 HydrophobicContact CD1-CD1 4.14Å; I588-Y737 HydrophobicContact CD1-CD2 4.28Å; I588-Y737 HydrophobicContact CD1-CE1 3.61Å; I588-Y737 HydrophobicContact CD1-CE2 3.74Å; I588-Y737 HydrophobicContact CD1-CG 4.45Å; I588-Y737 WeakPolarHBondContact CD1-OH 3.43Å; I588-Y737 HydrophobicContact CG1-CD1 4.21Å; I588-Y737 HydrophobicContact CG1-CE1 3.44Å; I588-Y737 VanDerWaalsContact CG1-CE1 3.44Å; I588-Y737 HydrophobicContact CG1-CE2 4.41Å; I588-Y737 WeakPolarHBondContact CG1-OH 3.43Å; I588-Y737 HydrophobicContact CG2-CD1 4.03Å; I588-Y737 HydrophobicContact CG2-CE1 4.01Å; I588-Y739 WeakPolarHBondContact CG2-OH 3.45Å
589P95.9Very high90.8Very high46 Ų4646.3 Ų46.330%0.29925%0.245SC..  trans-79.8142.1175.833.7-34.5000111.2L524 I591 L592 Y739L524-P589 HydrophobicContact CD2-CG 4.31Å; P589-I591 VanDerWaalsContact C-N 3.34Å; P589-I591 WeakPolarHBondContact CB-O 3.37Å; P589-L592 HydrophobicContact CG-CB 4.3Å; P589-L592 HydrophobicContact CG-CD1 3.96Å; P589-Y739 PolarHBondContact O-OH 3.35Å
590E94.4Very high90.9Very high119 Ų11949.5 Ų49.556%0.55627%0.267SS*.SBendtrans-64.7-41.7172-173.7-178.2169.300111.2Q688 L689E590-Q688 CarbonylContact O-C 3.51Å; E590-Q688 WeakPolarHBondContact O-CA 3.37Å; E590-L689 PolarHBondContact O-N 3.07Å
591I96.9Very high90.3Very high83 Ų8347.5 Ų47.543%0.42626%0.261SS..EExtended strand (participates in β ladder)trans-108.6119.9174.5-52.1-64.5000109P589 V686 Y687 Q688 L742P589-I591 VanDerWaalsContact C-N 3.34Å; P589-I591 WeakPolarHBondContact CB-O 3.37Å; I591-V686 HydrophobicContact CG2-CG1 3.94Å; I591-Y687 CarbonylContact C-O 3.58Å; I591-Y687 VanDerWaalsContact CA-O 3.3Å; I591-Y687 WeakPolarHBondContact CA-O 3.36Å; I591-Q688 HydrophobicContact CD1-CB 4.07Å; I591-Q688 HydrophobicContact CD1-CG 4.03Å; I591-L742 HydrophobicContact CD1-CD1 3.99Å; I591-L742 HydrophobicContact CG2-CD1 4.42Å
592L96.4Very high89.1Confident6 Ų649.8 Ų49.83%0.03128%0.28CS..EExtended strand (participates in β ladder)trans-110.2115.9-179.5179.163.2000109.8L524 L528 I566 P589 L594 V686 Y687 Y739L524-L592 HydrophobicContact CD2-CD1 4.16Å; L524-L592 HydrophobicContact CD2-CD2 4.03Å; L528-L592 HydrophobicContact CD1-CD1 3.85Å; I566-L592 HydrophobicContact CD1-CD2 3.77Å; P589-L592 HydrophobicContact CG-CB 4.3Å; P589-L592 HydrophobicContact CG-CD1 3.96Å; L592-L594 HydrophobicContact CD1-CD2 3.98Å; L592-L594 HydrophobicContact CD2-CD1 4.29Å; L592-L594 HydrophobicContact CD2-CD2 3.94Å; L592-L594 HydrophobicContact CD2-CG 4.14Å; L592-L594 HydrophobicContact CG-CD2 3.82Å; L592-L594 HydrophobicContact CG-CG 3.99Å; L592-V686 CarbonylContact O-C 3.33Å; L592-V686 WeakPolarHBondContact O-CA 3.49Å; L592-Y687 PolarHBondContact N-O 3.1Å; L592-Y687 PolarHBondContact O-N 3.19Å; L592-Y739 HydrophobicContact CB-CD1 4.01Å; L592-Y739 HydrophobicContact CB-CE1 3.58Å; L592-Y739 HydrophobicContact CD2-CD1 4.38Å; L592-Y739 HydrophobicContact CD2-CD2 4.38Å; L592-Y739 HydrophobicContact CD2-CE1 4.21Å; L592-Y739 HydrophobicContact CD2-CE2 4.19Å; L592-Y739 HydrophobicContact CD2-CG 4.47Å
593D96.4Very high87.7Confident83 Ų8356.3 Ų56.344%0.44431%0.309SS..EExtended strand (participates in β ladder)trans-99.9111.6172.8-169-5.1000110.3S595D593-S595 WeakPolarHBondContact OD1-CB 3.1Å; D593-S595 PolarHBondContact OD1-N 2.51Å; D593-S595 PolarHBondContact OD1-OG 2.91Å
594L95.5Very high86.4Confident0 Ų057.6 Ų57.60%032%0.323CS..  trans-98.94177.2-60.4-178.4000112.8L528 F557 F560 L564 L592 S596 F597 G685 Y687L528-L594 HydrophobicContact CD1-CD2 3.52Å; L528-L594 HydrophobicContact CD2-CD2 3.87Å; L528-L594 HydrophobicContact CG-CD2 4.35Å; F557-L594 HydrophobicContact CE2-CD1 4.46Å; F557-L594 HydrophobicContact CZ-CD1 4.26Å; F560-L594 HydrophobicContact CE1-CB 3.73Å; F560-L594 HydrophobicContact CE1-CD1 4.38Å; F560-L594 HydrophobicContact CZ-CB 3.96Å; F560-L594 VanDerWaalsContact CZ-O 3.26Å; F560-L594 WeakPolarHBondContact CZ-O 3.37Å; L564-L594 HydrophobicContact CD2-CD1 3.41Å; L564-L594 VanDerWaalsContact CD2-CD1 3.41Å; L592-L594 HydrophobicContact CD1-CD2 3.98Å; L592-L594 HydrophobicContact CD2-CD1 4.29Å; L592-L594 HydrophobicContact CD2-CD2 3.94Å; L592-L594 HydrophobicContact CD2-CG 4.14Å; L592-L594 HydrophobicContact CG-CD2 3.82Å; L592-L594 HydrophobicContact CG-CG 3.99Å; L594-S596 PolarHBondContact O-N 2.82Å; L594-S596 VanDerWaalsContact O-N 3.07Å; L594-F597 HydrophobicContact CD2-CD2 4.1Å; L594-F597 HydrophobicContact CD2-CE2 4.46Å; L594-F597 WeakPolarHBondContact O-CB 3.21Å; L594-F597 PolarHBondContact O-N 2.9Å; L594-G685 WeakPolarHBondContact CB-O 3.44Å; L594-G685 PolarHBondContact N-O 3.15Å; L594-Y687 HydrophobicContact CD1-CD2 4.12Å; L594-Y687 HydrophobicContact CD1-CE2 3.95Å; L594-Y687 HydrophobicContact CG-CD2 4.41Å
595S93.1Very high84.6Confident47 Ų4759.4 Ų59.433%0.32934%0.342SS..G310 helixtrans-56.7-31.8-172.4-55.80000113D593 F597 R598D593-S595 WeakPolarHBondContact OD1-CB 3.1Å; D593-S595 PolarHBondContact OD1-N 2.51Å; D593-S595 PolarHBondContact OD1-OG 2.91Å; S595-F597 VanDerWaalsContact C-N 3.26Å; S595-F597 PolarHBondContact O-N 3.03Å; S595-R598 PolarHBondContact O-N 2.99Å
596S93Very high82.7Confident88 Ų8866.8 Ų66.862%0.61537%0.373SS*.G310 helixtrans-69.3-18.3175.857.90000114.6L594L594-S596 PolarHBondContact O-N 2.82Å; L594-S596 VanDerWaalsContact O-N 3.07Å
597F93.9Very high81.2Confident10 Ų1071.6 Ų71.64%0.04440%0.399CS..G310 helixtrans-96.63.3179.5-60.6-82.2000112.7F525 L528 Q529 N532 F557 L594 S595F525-F597 HydrophobicContact CD2-CE2 4.21Å; F525-F597 HydrophobicContact CD2-CZ 4.35Å; F525-F597 AromaticContact CE2-CE2 3.78Å; F525-F597 HydrophobicContact CE2-CE2 3.78Å; F525-F597 AromaticContact CE2-CZ 3.94Å; F525-F597 HydrophobicContact CE2-CZ 3.94Å; F525-F597 HydrophobicContact CZ-CZ 4.35Å; L528-F597 HydrophobicContact CB-CE1 4Å; L528-F597 HydrophobicContact CB-CE2 3.94Å; L528-F597 HydrophobicContact CB-CZ 3.54Å; L528-F597 HydrophobicContact CD1-CE2 4.35Å; L528-F597 WeakPolarHBondContact O-CE1 3.23Å; Q529-F597 HydrophobicContact CG-CZ 4.36Å; N532-F597 HydrophobicContact CB-CD1 3.76Å; N532-F597 HydrophobicContact CB-CE1 3.87Å; F557-F597 HydrophobicContact CD2-CB 3.95Å; F557-F597 HydrophobicContact CE2-CB 4.41Å; F557-F597 PolarHBondContact N-O 3.12Å; L594-F597 HydrophobicContact CD2-CD2 4.1Å; L594-F597 HydrophobicContact CD2-CE2 4.46Å; L594-F597 WeakPolarHBondContact O-CB 3.21Å; L594-F597 PolarHBondContact O-N 2.9Å; S595-F597 VanDerWaalsContact C-N 3.26Å; S595-F597 PolarHBondContact O-N 3.03Å
598R94Very high79.3Confident75 Ų7569.1 Ų69.128%0.28339%0.388SS..BIsolated β-bridgetrans-69.1132.9173.4-176.3172.6-80.3-90.711.1109.6F557 N558 F560 S595 C600 D682 G683F557-R598 CarbonylContact O-C 3.51Å; F557-R598 WeakPolarHBondContact O-CA 3.43Å; N558-R598 PolarHBondContact O-NH1 3.47Å; F560-R598 HydrophobicContact CE2-CB 3.86Å; F560-R598 HydrophobicContact CE2-CG 4.33Å; F560-R598 VanDerWaalsContact CE2-NE 3.34Å; F560-R598 HydrophobicContact CZ-CB 3.88Å; S595-R598 PolarHBondContact O-N 2.99Å; R598-C600 PolarHBondContact O-N 3.05Å; R598-D682 IonicContact CZ-OD1 3.97Å; R598-D682 IonicContact CZ-OD2 2.77Å; R598-D682 IonicContact NH1-OD1 3.28Å; R598-D682 PolarHBondContact NH1-OD1 2.95Å; R598-D682 IonicContact NH1-OD2 3.92Å; R598-D682 PolarHBondContact NH1-OD2 3.45Å; R598-D682 IonicContact NH2-OD1 3.24Å; R598-D682 PolarHBondContact NH2-OD1 3.2Å; R598-D682 IonicContact NH2-OD2 2.89Å; R598-D682 PolarHBondContact NH2-OD2 2.79Å; R598-G683 PolarHBondContact NH2-O 3.04Å
599A89.2Confident77Confident18 Ų1874.8 Ų74.815%0.14942%0.417CS..  trans-57.4134.3172.800000110.8E456 F557 G601E456-A599 HydrophobicContact CB-CB 3.79Å; E456-A599 HydrophobicContact CG-CB 4.3Å; E456-A599 WeakPolarHBondContact OE1-CB 3.48Å; F557-A599 WeakPolarHBondContact O-CB 3.33Å; F557-A599 PolarHBondContact O-N 3.4Å; A599-G601 PolarHBondContact O-N 3.05Å
600C77.6Confident74.4Confident108 Ų10880.4 Ų80.473%0.7344%0.439SS*.  trans-79.3-6.6172.6-60.70000112.1R598 H603R598-C600 PolarHBondContact O-N 3.05Å; C600-H603 PolarHBondContact O-CE1 3.36Å; C600-H603 PolarHBondContact O-ND1 3.11Å
601G67.4Low71.4Confident18 Ų1879.3 Ų79.319%0.18645%0.445CS..  trans68.7-174.5-170.400000112.6A599 H603A599-G601 PolarHBondContact O-N 3.05Å; G601-H603 VanDerWaalsContact C-N 3.35Å; G601-H603 PolarHBondContact O-N 2.93Å
602P60.9Low68.4Low85 Ų8579.9 Ų79.955%0.55245%0.449SS*.SBendtrans-7580.3-174.430.2-34.8000111.8Y469Y469-P602 HydrophobicContact CD2-CB 4.23Å; Y469-P602 HydrophobicContact CE2-CB 3.89Å
603H56Low65.6Low163 Ų16388.5 Ų88.576%0.75549%0.489SS*.  trans-110.9-1.8177-68.986.4000114.2C600 G601C600-H603 PolarHBondContact O-CE1 3.36Å; C600-H603 PolarHBondContact O-ND1 3.11Å; G601-H603 VanDerWaalsContact C-N 3.35Å; G601-H603 PolarHBondContact O-N 2.93Å
604S52.2Low63.4Low82 Ų8285.2 Ų85.257%0.57347%0.473SS*.SBendtrans-153.9132.2176.153.20000113.6
605G50.4Low62Low41 Ų4190.5 Ų90.542%0.42351%0.505SS..SBendtrans109147.617900000113.5E465 L607E465-G605 CarbonylContact O-C 3.53Å; E465-G605 VanDerWaalsContact O-CA 3.24Å; E465-G605 WeakPolarHBondContact O-CA 3.01Å; G605-L607 PolarHBondContact O-N 3.45Å
606K51.2Low61.3Low159 Ų15989.3 Ų89.369%0.69150%0.495SS*.EExtended strand (participates in β ladder)trans-70.7123.3170.4-81.6-176.5-179.2175.40107.1E465 V467 F608E465-K606 PolarHBondContact O-N 2.89Å; E465-K606 VanDerWaalsContact O-N 3.13Å; V467-K606 PolarHBondContact N-O 3.43Å; V467-K606 VanDerWaalsContact N-O 3.14Å; K606-F608 HydrophobicContact CB-CD2 4.37Å; K606-F608 HydrophobicContact CB-CE2 3.73Å; K606-F608 VanDerWaalsContact O-CD2 3.25Å; K606-F608 WeakPolarHBondContact O-CD2 3.19Å; K606-F608 PolarHBondContact O-N 3.35Å
607L60.7Low60.7Low102 Ų10288 Ų8853%0.53448%0.481SS..EExtended strand (participates in β ladder)trans-64.1118170.6-73.9160.6000108V467 Y469 G605 I609V467-L607 HydrophobicContact CG2-CD2 4.41Å; Y469-L607 HydrophobicContact CD2-CD2 3.89Å; Y469-L607 HydrophobicContact CE2-CD2 4.24Å; G605-L607 PolarHBondContact O-N 3.45Å; L607-I609 VanDerWaalsContact C-N 3.3Å; L607-I609 PolarHBondContact O-N 2.84Å; L607-I609 VanDerWaalsContact O-N 3.1Å
608F55.1Low60.4Low105 Ų10592.2 Ų92.246%0.46151%0.51SS..  trans-84.690.9168.5-81.5-107.1000106.6D466 V467 K606 E610D466-F608 VanDerWaalsContact CA-CD2 3.48Å; D466-F608 HydrophobicContact CB-CB 4.4Å; D466-F608 HydrophobicContact CB-CD1 4.46Å; D466-F608 HydrophobicContact CB-CD2 3.14Å; D466-F608 HydrophobicContact CB-CE2 3.47Å; D466-F608 VanDerWaalsContact CB-CE2 3.47Å; D466-F608 HydrophobicContact CB-CG 3.73Å; D466-F608 HydrophobicContact CB-CZ 4.17Å; D466-F608 WeakPolarHBondContact OD1-CD2 3.27Å; D466-F608 WeakPolarHBondContact OD1-CE2 3.4Å; D466-F608 WeakPolarHBondContact OD1-CZ 3.31Å; D466-F608 WeakPolarHBondContact OD2-CD1 3.43Å; D466-F608 WeakPolarHBondContact OD2-CD2 3.37Å; D466-F608 WeakPolarHBondContact OD2-CE1 3.09Å; D466-F608 VanDerWaalsContact OD2-CE2 3.23Å; D466-F608 WeakPolarHBondContact OD2-CE2 3.42Å; D466-F608 WeakPolarHBondContact OD2-CG 3.02Å; D466-F608 WeakPolarHBondContact OD2-CZ 3.41Å; V467-F608 PolarHBondContact O-N 3.09Å; K606-F608 HydrophobicContact CB-CD2 4.37Å; K606-F608 HydrophobicContact CB-CE2 3.73Å; K606-F608 VanDerWaalsContact O-CD2 3.25Å; K606-F608 WeakPolarHBondContact O-CD2 3.19Å; K606-F608 PolarHBondContact O-N 3.35Å; F608-E610 PolarHBondContact O-N 3.22Å
609I47.1Very low60.2Low132 Ų13292.8 Ų92.868%0.67752%0.522SS*.  trans-65.5115159.1-54.5174.2000103.8L607 S611L607-I609 VanDerWaalsContact C-N 3.3Å; L607-I609 PolarHBondContact O-N 2.84Å; L607-I609 VanDerWaalsContact O-N 3.1Å; I609-S611 PolarHBondContact O-N 2.9Å
610E41.8Very low60.2Low164 Ų16492.9 Ų92.977%0.76652%0.52SS*.  trans-57.487.9153-81169.6-178.600105.1F608 N612F608-E610 PolarHBondContact O-N 3.22Å; E610-N612 PolarHBondContact O-N 2.79Å
611S30.6Very low60.8Low96 Ų9688.8 Ų88.867%0.67149%0.491SS*.  trans-7284.1171.834.10000103.6I609I609-S611 PolarHBondContact O-N 2.9Å
612N33.6Very low61.9Low95 Ų9590.9 Ų90.951%0.50850%0.503SS..  trans-179.769.2156.4-88.8-8.6000110E610 S614E610-N612 PolarHBondContact O-N 2.79Å; N612-S614 WeakPolarHBondContact CB-OG 3.37Å; N612-S614 PolarHBondContact ND2-OG 3.3Å; N612-S614 PolarHBondContact O-N 3.33Å; N612-S614 WeakPolarHBondContact OD1-CB 3.43Å; N612-S614 PolarHBondContact OD1-OG 3.25Å
613E38.8Very low63.3Low188 Ų18891 Ų9188%0.87950%0.497SS*.  -73.763.7121.3-78.4-165.6175.100106.5T615E613-T615 PolarHBondContact O-N 2.75Å
614S50.2Low64.9Low14 Ų1483.3 Ų83.310%0.09846%0.461CS..  trans-69.389.3161.5320000103.8N612 V616 L639N612-S614 WeakPolarHBondContact CB-OG 3.37Å; N612-S614 PolarHBondContact ND2-OG 3.3Å; N612-S614 PolarHBondContact O-N 3.33Å; N612-S614 WeakPolarHBondContact OD1-CB 3.43Å; N612-S614 PolarHBondContact OD1-OG 3.25Å; S614-V616 PolarHBondContact O-N 3Å; S614-L639 WeakPolarHBondContact O-CD2 3.07Å
615T65.6Low66.8Low111 Ų11181.6 Ų81.668%0.68145%0.447SS*.  trans-51.4118.7171.950.50000107.2E613 D617 N643E613-T615 PolarHBondContact O-N 2.75Å; T615-D617 PolarHBondContact O-N 3.38Å; T615-N643 PolarHBondContact O-ND2 3.45Å
616V77.6Confident68.7Low21 Ų2186 Ų8613%0.12746%0.461CS..  trans-61.5121.5179.8-171.70000107.7S614 P618 V621 R635 L638 L639 N643S614-V616 PolarHBondContact O-N 3Å; V616-P618 WeakPolarHBondContact O-CD 3.13Å; V616-P618 VanDerWaalsContact O-N 3.14Å; V616-V621 HydrophobicContact CB-CG2 4.28Å; V616-V621 HydrophobicContact CG1-CG2 3.21Å; V616-R635 HydrophobicContact CG1-CG 4.45Å; V616-R635 HydrophobicContact CG2-CB 4.42Å; V616-L638 HydrophobicContact CG1-CB 3.71Å; V616-L638 HydrophobicContact CG1-CD1 3.39Å; V616-L638 HydrophobicContact CG1-CG 4.2Å; V616-L639 HydrophobicContact CG2-CD1 4.31Å; V616-L639 HydrophobicContact CG2-CD2 4.17Å; V616-L639 HydrophobicContact CG2-CG 3.83Å; V616-N643 WeakPolarHBondContact CA-OD1 3.45Å
617D81.9Confident70.4Confident60 Ų6083.9 Ų83.932%0.32146%0.455SS..  trans-65.3112.7178.8-176.8-22.9000108.6T615 T619 L620 V621 N643T615-D617 PolarHBondContact O-N 3.38Å; D617-T619 PolarHBondContact O-N 2.94Å; D617-T619 VanDerWaalsContact O-N 3.1Å; D617-T619 VanDerWaalsContact OD1-CB 3.23Å; D617-T619 WeakPolarHBondContact OD1-CB 3.2Å; D617-T619 PolarHBondContact OD1-N 3.19Å; D617-T619 PolarHBondContact OD1-OG1 3.22Å; D617-L620 HydrophobicContact CB-CB 4.16Å; D617-L620 HydrophobicContact CB-CD1 3.87Å; D617-L620 HydrophobicContact CB-CG 3.88Å; D617-L620 WeakPolarHBondContact O-CB 3.49Å; D617-L620 PolarHBondContact O-N 2.87Å; D617-V621 PolarHBondContact O-N 3.44Å; D617-N643 PolarHBondContact N-OD1 3.49Å
618P86.9Confident71.7Confident100 Ų10082 Ų8265%0.64946%0.46SS*.Hα-helixtrans-61.6-23.5-175.723.9-31.9000112.6V616 V621 S622V616-P618 WeakPolarHBondContact O-CD 3.13Å; V616-P618 VanDerWaalsContact O-N 3.14Å; P618-V621 PolarHBondContact O-N 2.74Å; P618-S622 PolarHBondContact O-N 3.48Å
619T89Confident73.3Confident86 Ų8678.3 Ų78.353%0.52844%0.444SS..Hα-helixtrans-68.8-40.5174.3-19.20000111.2D617 S622 Q623D617-T619 PolarHBondContact O-N 2.94Å; D617-T619 VanDerWaalsContact O-N 3.1Å; D617-T619 VanDerWaalsContact OD1-CB 3.23Å; D617-T619 WeakPolarHBondContact OD1-CB 3.2Å; D617-T619 PolarHBondContact OD1-N 3.19Å; D617-T619 PolarHBondContact OD1-OG1 3.22Å; T619-S622 PolarHBondContact O-N 3.41Å; T619-Q623 WeakPolarHBondContact O-CG 3.49Å; T619-Q623 PolarHBondContact O-N 3Å
620L90.2Very high75.2Confident21 Ų2175 Ų7511%0.1143%0.431CS..Hα-helixtrans-72.4-35.2174.6-61.7179.6000111.7D617 S622 Q623 L624 L638 N643 L645D617-L620 HydrophobicContact CB-CB 4.16Å; D617-L620 HydrophobicContact CB-CD1 3.87Å; D617-L620 HydrophobicContact CB-CG 3.88Å; D617-L620 WeakPolarHBondContact O-CB 3.49Å; D617-L620 PolarHBondContact O-N 2.87Å; L620-S622 VanDerWaalsContact C-N 3.32Å; L620-S622 PolarHBondContact O-N 3.11Å; L620-Q623 PolarHBondContact O-N 3.33Å; L620-L624 WeakPolarHBondContact O-CB 3.34Å; L620-L624 WeakPolarHBondContact O-CG 3.47Å; L620-L624 PolarHBondContact O-N 2.93Å; L620-L638 HydrophobicContact CB-CD1 3.82Å; L620-L638 HydrophobicContact CB-CD2 3.74Å; L620-L638 HydrophobicContact CB-CG 4.48Å; L620-L638 HydrophobicContact CD1-CD2 3.78Å; L620-L638 HydrophobicContact CG-CD2 4.41Å; L620-N643 HydrophobicContact CD1-CB 3.82Å; L620-N643 WeakPolarHBondContact CD1-O 3.16Å; L620-L645 HydrophobicContact CD2-CB 4.04Å; L620-L645 HydrophobicContact CD2-CD1 3.97Å; L620-L645 HydrophobicContact CD2-CG 4.43Å
621V90Very high77.4Confident21 Ų2170.2 Ų70.213%0.12741%0.413CS..Hα-helixtrans-57.5-49.8171.2-178.80000109.6V616 D617 P618 Q623 L624 T625 V631 V634 L638V616-V621 HydrophobicContact CB-CG2 4.28Å; V616-V621 HydrophobicContact CG1-CG2 3.21Å; D617-V621 PolarHBondContact O-N 3.44Å; P618-V621 PolarHBondContact O-N 2.74Å; V621-Q623 PolarHBondContact O-N 3.08Å; V621-L624 PolarHBondContact O-N 2.62Å; V621-T625 VanDerWaalsContact O-CB 3.24Å; V621-T625 WeakPolarHBondContact O-CB 3.37Å; V621-T625 PolarHBondContact O-N 3.23Å; V621-T625 PolarHBondContact O-OG1 3.03Å; V621-V631 HydrophobicContact CG1-CG1 4.48Å; V621-V634 HydrophobicContact CB-CG1 4.32Å; V621-V634 HydrophobicContact CG1-CG1 4.14Å; V621-V634 HydrophobicContact CG2-CG1 4.4Å; V621-L638 HydrophobicContact CG2-CD1 3.78Å
622S90.1Very high79.9Confident62 Ų6271.7 Ų71.743%0.43441%0.409SS..Hα-helixtrans-58.6-48.9177.9-165.70000111.3P618 T619 L620 L624 T625 D626P618-S622 PolarHBondContact O-N 3.48Å; T619-S622 PolarHBondContact O-N 3.41Å; L620-S622 VanDerWaalsContact C-N 3.32Å; L620-S622 PolarHBondContact O-N 3.11Å; S622-L624 PolarHBondContact O-N 3.02Å; S622-T625 PolarHBondContact O-N 3.43Å; S622-D626 VanDerWaalsContact O-CB 3.28Å; S622-D626 WeakPolarHBondContact O-CB 3.24Å; S622-D626 PolarHBondContact O-N 2.81Å
623Q89.8Confident82.4Confident89 Ų8967.6 Ų67.642%0.41639%0.387SS..Hα-helixtrans-60.2-44.7-179.4-74.2177.810.200113.1T619 L620 V621 D626 M627 L645T619-Q623 WeakPolarHBondContact O-CG 3.49Å; T619-Q623 PolarHBondContact O-N 3Å; L620-Q623 PolarHBondContact O-N 3.33Å; V621-Q623 PolarHBondContact O-N 3.08Å; Q623-D626 PolarHBondContact O-N 3.13Å; Q623-M627 WeakPolarHBondContact O-CG 3.48Å; Q623-M627 PolarHBondContact O-N 3.36Å; Q623-M627 VanDerWaalsContact O-N 3.09Å; Q623-L645 HydrophobicContact CB-CD1 4.48Å
624L91Very high84.8Confident0 Ų058.6 Ų58.60%035%0.346CS..Hα-helixtrans-74.1-32.8-179.9-69.1171.4000112.2L620 V621 S622 M627 G628 F629 V634 L638 L645 A648 V649 L652L620-L624 WeakPolarHBondContact O-CB 3.34Å; L620-L624 WeakPolarHBondContact O-CG 3.47Å; L620-L624 PolarHBondContact O-N 2.93Å; V621-L624 PolarHBondContact O-N 2.62Å; S622-L624 PolarHBondContact O-N 3.02Å; L624-M627 HydrophobicContact CD2-SD 4.23Å; L624-M627 WeakPolarHBondContact O-CB 3.37Å; L624-M627 PolarHBondContact O-N 2.71Å; L624-G628 PolarHBondContact O-N 2.92Å; L624-F629 HydrophobicContact CB-CD2 4.48Å; L624-F629 HydrophobicContact CD2-CD2 4.35Å; L624-F629 WeakPolarHBondContact O-CD2 3.45Å; L624-F629 PolarHBondContact O-N 2.97Å; L624-V634 HydrophobicContact CB-CB 4.33Å; L624-V634 HydrophobicContact CB-CG1 3.63Å; L624-V634 HydrophobicContact CB-CG2 3.69Å; L624-V634 HydrophobicContact CD1-CG1 3.88Å; L624-V634 HydrophobicContact CG-CG1 4.39Å; L624-L638 HydrophobicContact CD1-CD1 4Å; L624-L638 HydrophobicContact CD1-CD2 3.77Å; L624-L638 HydrophobicContact CD1-CG 3.78Å; L624-L645 HydrophobicContact CD1-CD1 4.24Å; L624-L645 HydrophobicContact CD2-CD1 3.69Å; L624-L645 HydrophobicContact CG-CD1 3.74Å; L624-A648 HydrophobicContact CD1-CB 3.73Å; L624-V649 HydrophobicContact CD2-CG2 3.43Å; L624-V649 VanDerWaalsContact CD2-CG2 3.43Å; L624-L652 HydrophobicContact CB-CD1 4.49Å; L624-L652 HydrophobicContact CD1-CD1 4.1Å; L624-L652 HydrophobicContact CD2-CD1 4.11Å; L624-L652 HydrophobicContact CG-CD1 4.48Å
625T91Very high86.5Confident47 Ų4763.8 Ų63.829%0.28836%0.363SS..Hα-helixtrans-69-38.8173.1-48.20000110.6V621 S622 M627 G628 V631V621-T625 VanDerWaalsContact O-CB 3.24Å; V621-T625 WeakPolarHBondContact O-CB 3.37Å; V621-T625 PolarHBondContact O-N 3.23Å; V621-T625 PolarHBondContact O-OG1 3.03Å; S622-T625 PolarHBondContact O-N 3.43Å; T625-M627 PolarHBondContact O-N 3.48Å; T625-G628 WeakPolarHBondContact O-CA 3.46Å; T625-G628 PolarHBondContact O-N 3.39Å; T625-V631 HydrophobicContact CG2-CG2 3.66Å
626D90.5Very high87.3Confident132 Ų13261.5 Ų61.571%0.70635%0.349SS*.Hα-helixtrans-66.1-25.1174.5-70.6-25.2000112.2S622 Q623 G628S622-D626 VanDerWaalsContact O-CB 3.28Å; S622-D626 WeakPolarHBondContact O-CB 3.24Å; S622-D626 PolarHBondContact O-N 2.81Å; Q623-D626 PolarHBondContact O-N 3.13Å; D626-G628 PolarHBondContact O-N 3.36Å
627M87.3Confident87.7Confident116 Ų11660.5 Ų60.557%0.57134%0.343SS*.THydrogen-bonded Turntrans-75.2-9169.5-72.117869.300113.6Q623 L624 T625 F629 V649Q623-M627 WeakPolarHBondContact O-CG 3.48Å; Q623-M627 PolarHBondContact O-N 3.36Å; Q623-M627 VanDerWaalsContact O-N 3.09Å; L624-M627 HydrophobicContact CD2-SD 4.23Å; L624-M627 WeakPolarHBondContact O-CB 3.37Å; L624-M627 PolarHBondContact O-N 2.71Å; T625-M627 PolarHBondContact O-N 3.48Å; M627-F629 HydrophobicContact CB-CD2 4.06Å; M627-F629 HydrophobicContact CB-CE2 4.1Å; M627-F629 HydrophobicContact CE-CE2 4.19Å; M627-V649 HydrophobicContact CE-CG1 4.44Å; M627-V649 HydrophobicContact CE-CG2 4.14Å; M627-V649 HydrophobicContact SD-CG2 4.24Å
628G87Confident88Confident62 Ų6257.7 Ų57.764%0.63933%0.328SS*.THydrogen-bonded Turntrans101.47.7175.900000115.6L624 T625 D626L624-G628 PolarHBondContact O-N 2.92Å; T625-G628 WeakPolarHBondContact O-CA 3.46Å; T625-G628 PolarHBondContact O-N 3.39Å; D626-G628 PolarHBondContact O-N 3.36Å
629F88.7Confident87.8Confident27 Ų2755.9 Ų55.912%0.11831%0.313CS..  trans-81.1139.6176.8-62-70.2000111.5L624 M627 V634 L652 L653L624-F629 HydrophobicContact CB-CD2 4.48Å; L624-F629 HydrophobicContact CD2-CD2 4.35Å; L624-F629 WeakPolarHBondContact O-CD2 3.45Å; L624-F629 PolarHBondContact O-N 2.97Å; M627-F629 HydrophobicContact CB-CD2 4.06Å; M627-F629 HydrophobicContact CB-CE2 4.1Å; M627-F629 HydrophobicContact CE-CE2 4.19Å; F629-V634 HydrophobicContact CB-CG2 3.43Å; F629-V634 VanDerWaalsContact CB-CG2 3.43Å; F629-L652 HydrophobicContact CB-CD1 4.08Å; F629-L652 HydrophobicContact CB-CD2 4.41Å; F629-L652 HydrophobicContact CD1-CB 3.92Å; F629-L652 HydrophobicContact CD1-CD1 4.24Å; F629-L652 HydrophobicContact CD1-CD2 4.41Å; F629-L652 HydrophobicContact CD1-CG 4.41Å; F629-L652 HydrophobicContact CD2-CD1 3.75Å; F629-L652 HydrophobicContact CE1-CB 3.83Å; F629-L652 HydrophobicContact CE2-CD1 4.21Å; F629-L652 HydrophobicContact CG-CB 4.32Å; F629-L652 HydrophobicContact CG-CD1 3.77Å; F629-L652 HydrophobicContact CG-CD2 4.46Å; F629-L652 HydrophobicContact CG-CG 4.4Å; F629-L652 HydrophobicContact CZ-CB 4.15Å; F629-L653 HydrophobicContact CE1-CD2 4.24Å; F629-L653 HydrophobicContact CZ-CD2 4.09Å; F629-L653 HydrophobicContact CZ-CG 4.33Å
630P88.6Confident87.4Confident63 Ų6357 Ų5741%0.40931%0.311SS..  trans-60.7138.5177.4-20.330.7000112.2E632 C633 V634P630-E632 VanDerWaalsContact C-N 3.3Å; P630-E632 PolarHBondContact O-N 3.18Å; P630-C633 HydrophobicContact CB-CB 4.36Å; P630-C633 WeakPolarHBondContact O-CB 3.31Å; P630-C633 PolarHBondContact O-N 3.4Å; P630-C633 VanDerWaalsContact O-N 3.1Å; P630-V634 WeakPolarHBondContact O-CG2 3.44Å; P630-V634 PolarHBondContact O-N 3.24Å
631V86.8Confident87.1Confident64 Ų6457 Ų5739%0.38831%0.312SS..Hα-helixtrans-55.6-41.1-174.9171.80000112.8V621 T625 V634 R635V621-V631 HydrophobicContact CG1-CG1 4.48Å; T625-V631 HydrophobicContact CG2-CG2 3.66Å; V631-V634 PolarHBondContact O-N 3.2Å; V631-R635 HydrophobicContact CG1-CG 4.39Å; V631-R635 VanDerWaalsContact O-CG 3.29Å; V631-R635 WeakPolarHBondContact O-CG 3.21Å; V631-R635 PolarHBondContact O-N 3.35Å
632E83.2Confident86.8Confident127 Ų12759.1 Ų59.159%0.59333%0.332SS*.Hα-helixtrans-60.3-49.3178.5-61.8-57.2148.700111P630 V634 R635 T636P630-E632 VanDerWaalsContact C-N 3.3Å; P630-E632 PolarHBondContact O-N 3.18Å; E632-V634 VanDerWaalsContact C-N 3.34Å; E632-V634 PolarHBondContact O-N 2.76Å; E632-R635 PolarHBondContact O-N 3.19Å; E632-T636 PolarHBondContact O-N 2.94Å; E632-T636 PolarHBondContact O-OG1 2.81Å; E632-T636 VanDerWaalsContact O-OG1 3.09Å
633C86.2Confident86.5Confident8 Ų858.2 Ų58.25%0.05432%0.323CS..Hα-helixtrans-62.1-41.1177.1-56.90000112.1P630 R635 T636 A637 L652 N659P630-C633 HydrophobicContact CB-CB 4.36Å; P630-C633 WeakPolarHBondContact O-CB 3.31Å; P630-C633 PolarHBondContact O-N 3.4Å; P630-C633 VanDerWaalsContact O-N 3.1Å; C633-R635 VanDerWaalsContact C-N 3.35Å; C633-T636 PolarHBondContact O-N 3.31Å; C633-A637 VanDerWaalsContact O-CB 3.28Å; C633-A637 WeakPolarHBondContact O-CB 3.17Å; C633-A637 PolarHBondContact O-N 3.28Å; C633-L652 HydrophobicContact CB-CD2 3.78Å; C633-L652 WeakPolarHBondContact O-CD2 3.27Å; C633-N659 WeakPolarHBondContact CB-OD1 3.3Å; C633-N659 VanDerWaalsContact SG-CG 3.54Å; C633-N659 PolarHBondContact SG-OD1 3.28Å
634V88.4Confident86.3Confident0 Ų057.3 Ų57.30%032%0.321CS..Hα-helixtrans-61.6-42.9177.2168.20000111.2V621 L624 F629 P630 V631 E632 A637 L638 L652V621-V634 HydrophobicContact CB-CG1 4.32Å; V621-V634 HydrophobicContact CG1-CG1 4.14Å; V621-V634 HydrophobicContact CG2-CG1 4.4Å; L624-V634 HydrophobicContact CB-CB 4.33Å; L624-V634 HydrophobicContact CB-CG1 3.63Å; L624-V634 HydrophobicContact CB-CG2 3.69Å; L624-V634 HydrophobicContact CD1-CG1 3.88Å; L624-V634 HydrophobicContact CG-CG1 4.39Å; F629-V634 HydrophobicContact CB-CG2 3.43Å; F629-V634 VanDerWaalsContact CB-CG2 3.43Å; P630-V634 WeakPolarHBondContact O-CG2 3.44Å; P630-V634 PolarHBondContact O-N 3.24Å; V631-V634 PolarHBondContact O-N 3.2Å; E632-V634 VanDerWaalsContact C-N 3.34Å; E632-V634 PolarHBondContact O-N 2.76Å; V634-A637 PolarHBondContact O-N 3.46Å; V634-L638 HydrophobicContact CG1-CD1 3.77Å; V634-L638 HydrophobicContact CG1-CG 4.42Å; V634-L638 WeakPolarHBondContact O-CB 3.5Å; V634-L638 VanDerWaalsContact O-CG 3.31Å; V634-L638 WeakPolarHBondContact O-CG 3.28Å; V634-L638 PolarHBondContact O-N 2.97Å; V634-L652 HydrophobicContact CG2-CD1 4.14Å
635R86.2Confident86Confident123 Ų12360.1 Ų60.146%0.46434%0.335SS..Hα-helixtrans-63.8-45.7177-70.2176.278.498.44.7110.9V616 V631 E632 C633 L638 L639V616-R635 HydrophobicContact CG1-CG 4.45Å; V616-R635 HydrophobicContact CG2-CB 4.42Å; V631-R635 HydrophobicContact CG1-CG 4.39Å; V631-R635 VanDerWaalsContact O-CG 3.29Å; V631-R635 WeakPolarHBondContact O-CG 3.21Å; V631-R635 PolarHBondContact O-N 3.35Å; E632-R635 PolarHBondContact O-N 3.19Å; C633-R635 VanDerWaalsContact C-N 3.35Å; R635-L638 PolarHBondContact O-N 2.98Å; R635-L639 WeakPolarHBondContact O-CB 3.41Å; R635-L639 WeakPolarHBondContact O-CD1 2.93Å; R635-L639 VanDerWaalsContact O-CG 3.28Å; R635-L639 WeakPolarHBondContact O-CG 2.92Å; R635-L639 PolarHBondContact O-N 3.47Å
636T82.7Confident85.9Confident63 Ų6365.4 Ų65.439%0.38736%0.357SS..Hα-helixtrans-62-46.2175.9-48.20000111.4E632 C633 L638 L639 E640 W651E632-T636 PolarHBondContact O-N 2.94Å; E632-T636 PolarHBondContact O-OG1 2.81Å; E632-T636 VanDerWaalsContact O-OG1 3.09Å; C633-T636 PolarHBondContact O-N 3.31Å; T636-L638 PolarHBondContact O-N 3.48Å; T636-L639 WeakPolarHBondContact O-CB 3.22Å; T636-L639 PolarHBondContact O-N 2.9Å; T636-E640 HydrophobicContact CG2-CG 4.39Å; T636-E640 WeakPolarHBondContact O-CB 3.26Å; T636-E640 WeakPolarHBondContact O-CG 3.49Å; T636-E640 PolarHBondContact O-N 2.69Å; T636-W651 HydrophobicContact CG2-CH2 3.62Å; T636-W651 HydrophobicContact CG2-CZ2 4.07Å; T636-W651 HydrophobicContact CG2-CZ3 4.44Å
637A85.3Confident85.7Confident0 Ų061.4 Ų61.40%034%0.339CS..Hα-helixtrans-60-46.4178.900000112C633 V634 L639 E640 T641 A648 W651 L652C633-A637 VanDerWaalsContact O-CB 3.28Å; C633-A637 WeakPolarHBondContact O-CB 3.17Å; C633-A637 PolarHBondContact O-N 3.28Å; V634-A637 PolarHBondContact O-N 3.46Å; A637-L639 VanDerWaalsContact C-N 3.33Å; A637-L639 PolarHBondContact O-N 3.31Å; A637-E640 PolarHBondContact O-N 2.98Å; A637-T641 WeakPolarHBondContact O-CB 3.07Å; A637-T641 VanDerWaalsContact O-CG2 3.27Å; A637-T641 WeakPolarHBondContact O-CG2 3.3Å; A637-T641 PolarHBondContact O-N 2.65Å; A637-T641 PolarHBondContact O-OG1 3.1Å; A637-A648 HydrophobicContact CB-CB 4.42Å; A637-W651 HydrophobicContact CB-CD2 4.09Å; A637-W651 HydrophobicContact CB-CE3 3.45Å; A637-W651 VanDerWaalsContact CB-CE3 3.45Å; A637-W651 HydrophobicContact CB-CZ3 3.97Å; A637-L652 HydrophobicContact CB-CD1 3.96Å; A637-L652 HydrophobicContact CB-CD2 3.66Å; A637-L652 HydrophobicContact CB-CG 3.46Å; A637-L652 VanDerWaalsContact CB-CG 3.46Å
638L88.7Confident85.7Confident0 Ų055.9 Ų55.90%031%0.312CS..Hα-helixtrans-67.8-31.8178.5-74.1170.5000112.9V616 L620 V621 L624 V634 R635 T636 A642 N643 A648V616-L638 HydrophobicContact CG1-CB 3.71Å; V616-L638 HydrophobicContact CG1-CD1 3.39Å; V616-L638 HydrophobicContact CG1-CG 4.2Å; L620-L638 HydrophobicContact CB-CD1 3.82Å; L620-L638 HydrophobicContact CB-CD2 3.74Å; L620-L638 HydrophobicContact CB-CG 4.48Å; L620-L638 HydrophobicContact CD1-CD2 3.78Å; L620-L638 HydrophobicContact CG-CD2 4.41Å; V621-L638 HydrophobicContact CG2-CD1 3.78Å; L624-L638 HydrophobicContact CD1-CD1 4Å; L624-L638 HydrophobicContact CD1-CD2 3.77Å; L624-L638 HydrophobicContact CD1-CG 3.78Å; V634-L638 HydrophobicContact CG1-CD1 3.77Å; V634-L638 HydrophobicContact CG1-CG 4.42Å; V634-L638 WeakPolarHBondContact O-CB 3.5Å; V634-L638 VanDerWaalsContact O-CG 3.31Å; V634-L638 WeakPolarHBondContact O-CG 3.28Å; V634-L638 PolarHBondContact O-N 2.97Å; R635-L638 PolarHBondContact O-N 2.98Å; T636-L638 PolarHBondContact O-N 3.48Å; L638-A642 PolarHBondContact O-N 3.21Å; L638-N643 PolarHBondContact O-N 3.5Å; L638-A648 HydrophobicContact CD2-CB 3.8Å; L638-A648 HydrophobicContact CG-CB 4.34Å
639L82.7Confident85.8Confident63 Ų6354.4 Ų54.433%0.3329%0.29SS..Hα-helixtrans-64.6-48.2171.3-78.7162.5000111S614 V616 R635 T636 A637S614-L639 WeakPolarHBondContact O-CD2 3.07Å; V616-L639 HydrophobicContact CG2-CD1 4.31Å; V616-L639 HydrophobicContact CG2-CD2 4.17Å; V616-L639 HydrophobicContact CG2-CG 3.83Å; R635-L639 WeakPolarHBondContact O-CB 3.41Å; R635-L639 WeakPolarHBondContact O-CD1 2.93Å; R635-L639 VanDerWaalsContact O-CG 3.28Å; R635-L639 WeakPolarHBondContact O-CG 2.92Å; R635-L639 PolarHBondContact O-N 3.47Å; T636-L639 WeakPolarHBondContact O-CB 3.22Å; T636-L639 PolarHBondContact O-N 2.9Å; A637-L639 VanDerWaalsContact C-N 3.33Å; A637-L639 PolarHBondContact O-N 3.31Å
640E81.3Confident85.7Confident108 Ų10859.5 Ų59.551%0.50532%0.315SS..Hα-helixtrans-70.2-31.1-178.5-70.3-63.5145.200112.9T636 A637 W651T636-E640 HydrophobicContact CG2-CG 4.39Å; T636-E640 WeakPolarHBondContact O-CB 3.26Å; T636-E640 WeakPolarHBondContact O-CG 3.49Å; T636-E640 PolarHBondContact O-N 2.69Å; A637-E640 PolarHBondContact O-N 2.98Å; E640-W651 HydrophobicContact CB-CZ2 4.4Å; E640-W651 HydrophobicContact CG-CZ2 3.85Å
641T83.8Confident85.7Confident21 Ų2159.3 Ų59.313%0.12931%0.306CS..THydrogen-bonded Turntrans-101.914-177.469.70000113.5A637 N643 N644 S647 A648 W651A637-T641 WeakPolarHBondContact O-CB 3.07Å; A637-T641 VanDerWaalsContact O-CG2 3.27Å; A637-T641 WeakPolarHBondContact O-CG2 3.3Å; A637-T641 PolarHBondContact O-N 2.65Å; A637-T641 PolarHBondContact O-OG1 3.1Å; T641-N643 VanDerWaalsContact C-N 3.32Å; T641-N643 PolarHBondContact O-N 2.97Å; T641-N644 VanDerWaalsContact O-CB 3.28Å; T641-N644 WeakPolarHBondContact O-CB 3.42Å; T641-N644 PolarHBondContact O-N 3.24Å; T641-N644 PolarHBondContact OG1-O 2.82Å; T641-S647 WeakPolarHBondContact CG2-O 3.19Å; T641-A648 WeakPolarHBondContact OG1-CA 3.18Å; T641-A648 WeakPolarHBondContact OG1-CB 2.86Å; T641-A648 PolarHBondContact OG1-N 2.91Å; T641-W651 HydrophobicContact CG2-CB 3.71Å; T641-W651 HydrophobicContact CG2-CG 4.11Å
642A83.2Confident85.8Confident66 Ų6656.2 Ų56.255%0.54529%0.287SS..THydrogen-bonded Turntrans51.646.8177.300000113.2L638 N644L638-A642 PolarHBondContact O-N 3.21Å; A642-N644 PolarHBondContact O-N 3.42Å
643N83.4Confident85.9Confident43 Ų4355.2 Ų55.223%0.2329%0.285CS..THydrogen-bonded Turntrans55.727.3-177-67.9-58.1000114.3T615 V616 D617 L620 L638 T641T615-N643 PolarHBondContact O-ND2 3.45Å; V616-N643 WeakPolarHBondContact CA-OD1 3.45Å; D617-N643 PolarHBondContact N-OD1 3.49Å; L620-N643 HydrophobicContact CD1-CB 3.82Å; L620-N643 WeakPolarHBondContact CD1-O 3.16Å; L638-N643 PolarHBondContact O-N 3.5Å; T641-N643 VanDerWaalsContact C-N 3.32Å; T641-N643 PolarHBondContact O-N 2.97Å
644N85.8Confident85.6Confident71 Ų7159 Ų5938%0.3831%0.312SS..  trans-87115.5168.8-176.8-58.1000109.7T641 A642 E646 S647 A648T641-N644 VanDerWaalsContact O-CB 3.28Å; T641-N644 WeakPolarHBondContact O-CB 3.42Å; T641-N644 PolarHBondContact O-N 3.24Å; T641-N644 PolarHBondContact OG1-O 2.82Å; A642-N644 PolarHBondContact O-N 3.42Å; N644-E646 PolarHBondContact O-N 2.91Å; N644-E646 PolarHBondContact OD1-N 2.72Å; N644-E646 VanDerWaalsContact OD1-N 3.07Å; N644-S647 PolarHBondContact O-N 2.68Å; N644-S647 PolarHBondContact OD1-N 3.32Å; N644-S647 PolarHBondContact OD1-OG 3.32Å; N644-A648 WeakPolarHBondContact O-CB 3.17Å; N644-A648 PolarHBondContact O-N 3.42Å
645L85.8Confident85Confident58 Ų5861 Ų6130%0.30432%0.322SS..Hα-helixtrans-58.8-48.6-177.1-175.470.4000112.6L620 Q623 L624 S647 A648 V649L620-L645 HydrophobicContact CD2-CB 4.04Å; L620-L645 HydrophobicContact CD2-CD1 3.97Å; L620-L645 HydrophobicContact CD2-CG 4.43Å; Q623-L645 HydrophobicContact CB-CD1 4.48Å; L624-L645 HydrophobicContact CD1-CD1 4.24Å; L624-L645 HydrophobicContact CD2-CD1 3.69Å; L624-L645 HydrophobicContact CG-CD1 3.74Å; L645-S647 PolarHBondContact O-N 2.98Å; L645-A648 PolarHBondContact O-N 3.19Å; L645-V649 WeakPolarHBondContact O-CG2 3.34Å; L645-V649 PolarHBondContact O-N 2.79Å
646E88.5Confident83.7Confident158 Ų15859.2 Ų59.274%0.73832%0.322SS*.Hα-helixtrans-64.5-43.5-176.7-68.9168.2171.500111N644 Q650N644-E646 PolarHBondContact O-N 2.91Å; N644-E646 PolarHBondContact OD1-N 2.72Å; N644-E646 VanDerWaalsContact OD1-N 3.07Å; E646-Q650 PolarHBondContact O-N 2.73Å
647S86.7Confident82.5Confident49 Ų4964.4 Ų64.434%0.34334%0.342SS..Hα-helixtrans-67.1-38.7174.4-580000111.9T641 N644 L645 Q650 W651T641-S647 WeakPolarHBondContact CG2-O 3.19Å; N644-S647 PolarHBondContact O-N 2.68Å; N644-S647 PolarHBondContact OD1-N 3.32Å; N644-S647 PolarHBondContact OD1-OG 3.32Å; L645-S647 PolarHBondContact O-N 2.98Å; S647-Q650 PolarHBondContact O-N 2.92Å; S647-W651 WeakPolarHBondContact O-CB 3.34Å; S647-W651 PolarHBondContact O-N 3.49Å
648A87.3Confident81Confident0 Ų070.7 Ų70.70%037%0.372CS..Hα-helixtrans-62.1-44.3176.500000111.5L624 A637 L638 T641 N644 L645 Q650 W651 L652L624-A648 HydrophobicContact CD1-CB 3.73Å; A637-A648 HydrophobicContact CB-CB 4.42Å; L638-A648 HydrophobicContact CD2-CB 3.8Å; L638-A648 HydrophobicContact CG-CB 4.34Å; T641-A648 WeakPolarHBondContact OG1-CA 3.18Å; T641-A648 WeakPolarHBondContact OG1-CB 2.86Å; T641-A648 PolarHBondContact OG1-N 2.91Å; N644-A648 WeakPolarHBondContact O-CB 3.17Å; N644-A648 PolarHBondContact O-N 3.42Å; L645-A648 PolarHBondContact O-N 3.19Å; A648-Q650 VanDerWaalsContact C-N 3.33Å; A648-Q650 PolarHBondContact O-N 3.46Å; A648-W651 PolarHBondContact O-N 3.32Å; A648-L652 WeakPolarHBondContact O-CB 3.45Å; A648-L652 WeakPolarHBondContact O-CD1 3.31Å; A648-L652 VanDerWaalsContact O-CG 3.23Å; A648-L652 WeakPolarHBondContact O-CG 3.35Å; A648-L652 PolarHBondContact O-N 2.99Å
649V87.7Confident79.2Confident30 Ų3071.3 Ų71.318%0.18238%0.375CS..Hα-helixtrans-59.7-45.9173.2173.80000110.1L624 M627 L645 W651 L652 L653L624-V649 HydrophobicContact CD2-CG2 3.43Å; L624-V649 VanDerWaalsContact CD2-CG2 3.43Å; M627-V649 HydrophobicContact CE-CG1 4.44Å; M627-V649 HydrophobicContact CE-CG2 4.14Å; M627-V649 HydrophobicContact SD-CG2 4.24Å; L645-V649 WeakPolarHBondContact O-CG2 3.34Å; L645-V649 PolarHBondContact O-N 2.79Å; V649-W651 PolarHBondContact O-N 2.58Å; V649-L652 PolarHBondContact O-N 3.37Å; V649-L653 HydrophobicContact CG1-CD1 3.81Å; V649-L653 HydrophobicContact CG1-CG 4.36Å; V649-L653 WeakPolarHBondContact O-CB 3.34Å; V649-L653 VanDerWaalsContact O-CG 3.23Å; V649-L653 WeakPolarHBondContact O-CG 3.45Å; V649-L653 PolarHBondContact O-N 2.99Å
650Q86.9Confident77.6Confident135 Ų13576 Ų7663%0.63140%0.395SS*.Hα-helixtrans-62.8-42.4178.4-169.4174.3-200112E646 S647 A648 L653 S654E646-Q650 PolarHBondContact O-N 2.73Å; S647-Q650 PolarHBondContact O-N 2.92Å; A648-Q650 VanDerWaalsContact C-N 3.33Å; A648-Q650 PolarHBondContact O-N 3.46Å; Q650-L653 PolarHBondContact O-N 3.48Å; Q650-S654 WeakPolarHBondContact O-CB 3.45Å; Q650-S654 PolarHBondContact O-N 3.27Å; Q650-S654 PolarHBondContact O-OG 3.18Å
651W88.3Confident76.1Confident58 Ų5877.3 Ų77.322%0.2241%0.405CS..Hα-helixtrans-63.2-46176.9-168.7103000111.3T636 A637 E640 T641 S647 A648 V649 L653 S654 N655T636-W651 HydrophobicContact CG2-CH2 3.62Å; T636-W651 HydrophobicContact CG2-CZ2 4.07Å; T636-W651 HydrophobicContact CG2-CZ3 4.44Å; A637-W651 HydrophobicContact CB-CD2 4.09Å; A637-W651 HydrophobicContact CB-CE3 3.45Å; A637-W651 VanDerWaalsContact CB-CE3 3.45Å; A637-W651 HydrophobicContact CB-CZ3 3.97Å; E640-W651 HydrophobicContact CB-CZ2 4.4Å; E640-W651 HydrophobicContact CG-CZ2 3.85Å; T641-W651 HydrophobicContact CG2-CB 3.71Å; T641-W651 HydrophobicContact CG2-CG 4.11Å; S647-W651 WeakPolarHBondContact O-CB 3.34Å; S647-W651 PolarHBondContact O-N 3.49Å; A648-W651 PolarHBondContact O-N 3.32Å; V649-W651 PolarHBondContact O-N 2.58Å; W651-L653 VanDerWaalsContact C-N 3.32Å; W651-L653 PolarHBondContact O-N 2.87Å; W651-S654 WeakPolarHBondContact O-CB 3.29Å; W651-S654 PolarHBondContact O-N 3.14Å; W651-S654 VanDerWaalsContact O-N 3.11Å; W651-N655 HydrophobicContact CE3-CB 4.14Å; W651-N655 HydrophobicContact CH2-CB 4.34Å; W651-N655 WeakPolarHBondContact CH2-ND2 3.5Å; W651-N655 WeakPolarHBondContact CZ2-ND2 3.43Å; W651-N655 HydrophobicContact CZ3-CB 4.02Å; W651-N655 WeakPolarHBondContact O-CB 3.31Å; W651-N655 PolarHBondContact O-N 2.87Å
652L89Confident74.4Confident0 Ų078.8 Ų78.80%042%0.42CS..Hα-helixtrans-60.5-40.4177.2-75.1164.2000112.4L624 F629 C633 V634 A637 A648 V649 N656 N659L624-L652 HydrophobicContact CB-CD1 4.49Å; L624-L652 HydrophobicContact CD1-CD1 4.1Å; L624-L652 HydrophobicContact CD2-CD1 4.11Å; L624-L652 HydrophobicContact CG-CD1 4.48Å; F629-L652 HydrophobicContact CB-CD1 4.08Å; F629-L652 HydrophobicContact CB-CD2 4.41Å; F629-L652 HydrophobicContact CD1-CB 3.92Å; F629-L652 HydrophobicContact CD1-CD1 4.24Å; F629-L652 HydrophobicContact CD1-CD2 4.41Å; F629-L652 HydrophobicContact CD1-CG 4.41Å; F629-L652 HydrophobicContact CD2-CD1 3.75Å; F629-L652 HydrophobicContact CE1-CB 3.83Å; F629-L652 HydrophobicContact CE2-CD1 4.21Å; F629-L652 HydrophobicContact CG-CB 4.32Å; F629-L652 HydrophobicContact CG-CD1 3.77Å; F629-L652 HydrophobicContact CG-CD2 4.46Å; F629-L652 HydrophobicContact CG-CG 4.4Å; F629-L652 HydrophobicContact CZ-CB 4.15Å; C633-L652 HydrophobicContact CB-CD2 3.78Å; C633-L652 WeakPolarHBondContact O-CD2 3.27Å; V634-L652 HydrophobicContact CG2-CD1 4.14Å; A637-L652 HydrophobicContact CB-CD1 3.96Å; A637-L652 HydrophobicContact CB-CD2 3.66Å; A637-L652 HydrophobicContact CB-CG 3.46Å; A637-L652 VanDerWaalsContact CB-CG 3.46Å; A648-L652 WeakPolarHBondContact O-CB 3.45Å; A648-L652 WeakPolarHBondContact O-CD1 3.31Å; A648-L652 VanDerWaalsContact O-CG 3.23Å; A648-L652 WeakPolarHBondContact O-CG 3.35Å; A648-L652 PolarHBondContact O-N 2.99Å; V649-L652 PolarHBondContact O-N 3.37Å; L652-N656 PolarHBondContact O-N 3.49Å; L652-N659 PolarHBondContact O-ND2 3.19Å
653L86.2Confident72.6Confident106 Ų10680 Ų8056%0.55543%0.429SS*.Hα-helixtrans-71.1-32.3175.7-68.5172.3000112.3F629 V649 Q650 W651F629-L653 HydrophobicContact CE1-CD2 4.24Å; F629-L653 HydrophobicContact CZ-CD2 4.09Å; F629-L653 HydrophobicContact CZ-CG 4.33Å; V649-L653 HydrophobicContact CG1-CD1 3.81Å; V649-L653 HydrophobicContact CG1-CG 4.36Å; V649-L653 WeakPolarHBondContact O-CB 3.34Å; V649-L653 VanDerWaalsContact O-CG 3.23Å; V649-L653 WeakPolarHBondContact O-CG 3.45Å; V649-L653 PolarHBondContact O-N 2.99Å; Q650-L653 PolarHBondContact O-N 3.48Å; W651-L653 VanDerWaalsContact C-N 3.32Å; W651-L653 PolarHBondContact O-N 2.87Å
654S80.5Confident70.5Confident86 Ų8686.4 Ų86.460%0.60146%0.458SS*.Hα-helixtrans-72.7-35178-52.60000112Q650 W651Q650-S654 WeakPolarHBondContact O-CB 3.45Å; Q650-S654 PolarHBondContact O-N 3.27Å; Q650-S654 PolarHBondContact O-OG 3.18Å; W651-S654 WeakPolarHBondContact O-CB 3.29Å; W651-S654 PolarHBondContact O-N 3.14Å; W651-S654 VanDerWaalsContact O-N 3.11Å
655N74.2Confident67.9Low43 Ų4391 Ų9123%0.2348%0.481CS..THydrogen-bonded Turntrans-99.522-175.7-71.116.2000112.8W651 E657 Q658 N659W651-N655 HydrophobicContact CE3-CB 4.14Å; W651-N655 HydrophobicContact CH2-CB 4.34Å; W651-N655 WeakPolarHBondContact CH2-ND2 3.5Å; W651-N655 WeakPolarHBondContact CZ2-ND2 3.43Å; W651-N655 HydrophobicContact CZ3-CB 4.02Å; W651-N655 WeakPolarHBondContact O-CB 3.31Å; W651-N655 PolarHBondContact O-N 2.87Å; N655-E657 PolarHBondContact O-N 2.91Å; N655-E657 VanDerWaalsContact O-N 3.08Å; N655-Q658 PolarHBondContact O-N 3.15Å; N655-N659 PolarHBondContact O-N 3.42Å
656N60.8Low65.3Low85 Ų8593.8 Ų93.846%0.45550%0.503SS..Hα-helixtrans-59.8-27.3-172.5-14830.5000113.3L652 Q658 N659L652-N656 PolarHBondContact O-N 3.49Å; N656-Q658 VanDerWaalsContact C-N 3.32Å; N656-Q658 PolarHBondContact O-N 3.26Å; N656-N659 PolarHBondContact O-N 3.33Å
657E56.8Low62.4Low172 Ų17291 Ų9180%0.80451%0.508SS*.Hα-helixtrans-70.4-24.1174-65.3-173169.200113.5N655 N661N655-E657 PolarHBondContact O-N 2.91Å; N655-E657 VanDerWaalsContact O-N 3.08Å; E657-N661 PolarHBondContact O-ND2 3Å
658Q53.3Low59.5Low133 Ų13394.6 Ų94.662%0.62153%0.527SS*.Hα-helixtrans-84.8-24.8172.7-70.5-176.2-16.400112.2N655 N656 E660 N661N655-Q658 PolarHBondContact O-N 3.15Å; N656-Q658 VanDerWaalsContact C-N 3.32Å; N656-Q658 PolarHBondContact O-N 3.26Å; Q658-E660 VanDerWaalsContact C-N 3.29Å; Q658-E660 PolarHBondContact O-N 2.83Å; Q658-N661 PolarHBondContact O-N 2.99Å
659N51.3Low56.7Low13 Ų13104 Ų1047%0.0757%0.571CS.*Hα-helixtrans-67-26.8179.6-70.2-12.6000113.4C633 L652 N655 N656C633-N659 WeakPolarHBondContact CB-OD1 3.3Å; C633-N659 VanDerWaalsContact SG-CG 3.54Å; C633-N659 PolarHBondContact SG-OD1 3.28Å; L652-N659 PolarHBondContact O-ND2 3.19Å; N655-N659 PolarHBondContact O-N 3.42Å; N656-N659 PolarHBondContact O-N 3.33Å
660E49.7Very low53.8Low162 Ų162111.1 Ų111.176%0.75760%0.603SS**THydrogen-bonded Turntrans-77.1-26.5176.9-68.1-168.5162.100113.1Q658Q658-E660 VanDerWaalsContact C-N 3.29Å; Q658-E660 PolarHBondContact O-N 2.83Å
661N48.5Very low50.9Low135 Ų135110.4 Ų110.472%0.72261%0.612SS**G310 helixtrans-88.7-15.4-176.3-70.5-48.1000114.3E657 Q658 A663E657-N661 PolarHBondContact O-ND2 3Å; Q658-N661 PolarHBondContact O-N 2.99Å; N661-A663 VanDerWaalsContact C-N 3.27Å; N661-A663 PolarHBondContact O-N 2.85Å
662A47.7Very low48.1Very low52 Ų52113.3 Ų113.343%0.4364%0.636SS.*G310 helixtrans-76.3-10.3-17800000114E664A662-E664 PolarHBondContact O-N 3.13Å
663A45.6Very low45.2Very low90 Ų90120.6 Ų120.674%0.74468%0.676SS**G310 helixtrans-78.4-4.8-171.400000115.8N661N661-A663 VanDerWaalsContact C-N 3.27Å; N661-A663 PolarHBondContact O-N 2.85Å
664E39.6Very low42.5Very low179 Ų179123 Ų12384%0.83669%0.689SS**G310 helixtrans-114.414.8-166.4-73.3-164159.300118.2A662A662-E664 PolarHBondContact O-N 3.13Å
665L31.9Very low40.2Very low166 Ų166126.2 Ų126.287%0.86970%0.699SS**  trans-102.8116.7177.4-77.5158.9000113.2A667L665-A667 PolarHBondContact O-N 2.83Å
666P31.4Very low39.2Very low117 Ų117133.9 Ų133.976%0.7673%0.725SS**  trans-73.2124.5179.527-30.6000111.7T668P666-T668 PolarHBondContact O-N 3.32Å
667A27.3Very low39.3Very low101 Ų101139.1 Ų139.184%0.83574%0.744SS**  trans-71.7106.1170.400000111L665L665-A667 PolarHBondContact O-N 2.83Å
668T25.5Very low40.1Very low123 Ų123135.4 Ų135.476%0.75573%0.727SS**  trans-153.887.9157.5-36.90000110.7P666P666-T668 PolarHBondContact O-N 3.32Å
669Q27.9Very low41.5Very low197 Ų197133.9 Ų133.992%0.92172%0.721SS**  trans-126.7114.4152.8-77.8-174.6-7.900107.4S671Q669-S671 PolarHBondContact O-N 2.84Å
670Q27.6Very low43.2Very low181 Ų181135.4 Ų135.485%0.84673%0.727SS**  trans-63.6115.8171.6-76.1172.5-10.800108V672Q670-V672 PolarHBondContact O-N 2.87Å; Q670-V672 VanDerWaalsContact O-N 3.15Å
671S26.6Very low45.1Very low119 Ų119128.4 Ų128.483%0.83270%0.696SS**  trans-62.1108.3166.7530000109Q669Q669-S671 PolarHBondContact O-N 2.84Å
672V28.9Very low47.2Very low119 Ų119125.9 Ų125.972%0.72168%0.683SS**  trans-81.6128.7161.4-169.60000106.5Q670 N674Q670-V672 PolarHBondContact O-N 2.87Å; Q670-V672 VanDerWaalsContact O-N 3.15Å; V672-N674 PolarHBondContact O-N 2.71Å
673D27.1Very low49.3Very low154 Ų154124.8 Ų124.882%0.82468%0.677SS**  trans-53.987.1-178.4-93-37.7000112.8N675D673-N675 VanDerWaalsContact C-N 3.26Å; D673-N675 PolarHBondContact O-N 3.16Å
674N29.5Very low51.6Low155 Ų155121.8 Ų121.883%0.82965%0.651SS**  trans-88.449.9175.4-89.5-4.6000112.4V672V672-N674 PolarHBondContact O-N 2.71Å
675N33.1Very low54.2Low155 Ų155113.4 Ų113.483%0.82961%0.612SS**  trans-105.315.4176.9-122.1-11.7000114.1D673 K677D673-N675 VanDerWaalsContact C-N 3.26Å; D673-N675 PolarHBondContact O-N 3.16Å; N675-K677 PolarHBondContact O-N 2.9Å
676R53.5Low57.3Low203 Ų203106.6 Ų106.677%0.76658%0.577SS**  trans-78.6105.4166.5-85.7-174.5175.2-1800.8108.9E678R676-E678 PolarHBondContact O-N 2.83Å
677K62.3Low60.5Low195 Ų195101 Ų10185%0.84854%0.541SS*.  trans-54.7114.1163.6-78.2-174.5177-177.20108.5N675 I679N675-K677 PolarHBondContact O-N 2.9Å; K677-I679 PolarHBondContact O-N 3.14Å
678E73.7Confident63.8Low95 Ų9598.5 Ų98.544%0.44451%0.512SS..  trans-61.8133.6176.4-64178.7178.100110P473 R676 F680P473-E678 WeakPolarHBondContact CB-OE2 3.23Å; P473-E678 WeakPolarHBondContact CG-OE2 3.47Å; R676-E678 PolarHBondContact O-N 2.83Å; E678-F680 HydrophobicContact CB-CE1 4.49Å; E678-F680 HydrophobicContact CB-CE2 3.9Å; E678-F680 HydrophobicContact CB-CZ 3.75Å; E678-F680 WeakPolarHBondContact OE2-CZ 3.42Å
679I82Confident67.2Low100 Ų10092.7 Ų92.751%0.51348%0.477SS..  trans-104.1124-179.1-52.3176.7000107.5R449 K677R449-I679 WeakPolarHBondContact CG-O 3.46Å; R449-I679 VanDerWaalsContact CZ-CG2 3.48Å; K677-I679 PolarHBondContact O-N 3.14Å
680F88.8Confident70.5Confident45 Ų4585.7 Ų85.720%0.19744%0.441CS..  trans-104152178-55.2-81.5000110.9R452 F453 C454 P473 T559 E678R452-F680 HydrophobicContact CG-CD1 3.96Å; R452-F680 HydrophobicContact CG-CE1 3.76Å; F453-F680 WeakPolarHBondContact O-CE1 3.3Å; C454-F680 HydrophobicContact CB-CD1 4.1Å; C454-F680 HydrophobicContact CB-CD2 4.33Å; C454-F680 HydrophobicContact CB-CE1 3.84Å; C454-F680 HydrophobicContact CB-CE2 4.11Å; C454-F680 HydrophobicContact CB-CG 4.33Å; C454-F680 HydrophobicContact CB-CZ 3.85Å; P473-F680 HydrophobicContact CB-CE1 4.22Å; P473-F680 HydrophobicContact CB-CZ 4.15Å; P473-F680 HydrophobicContact CG-CZ 4.18Å; T559-F680 HydrophobicContact CG2-CB 4.1Å; E678-F680 HydrophobicContact CB-CE1 4.49Å; E678-F680 HydrophobicContact CB-CE2 3.9Å; E678-F680 HydrophobicContact CB-CZ 3.75Å; E678-F680 WeakPolarHBondContact OE2-CZ 3.42Å
681S88.7Confident73.9Confident15 Ų1577 Ų7711%0.10540%0.401CS..  trans-83.7146.4158.2-1660000108.5F560 D562 R741F560-S681 CarbonylContact O-C 3.56Å; D562-S681 PolarHBondContact OD1-OG 2.96Å; D562-S681 WeakPolarHBondContact OD2-CB 3.34Å; D562-S681 PolarHBondContact OD2-OG 3.31Å; S681-R741 PolarHBondContact OG-NH2 3.31Å
682D92.4Very high77.3Confident82 Ų8271.5 Ų71.544%0.43936%0.362SS..  trans-142.6150.2173.5-160.821.6000111.7T559 F560 R598T559-D682 WeakPolarHBondContact CA-OD1 3.34Å; T559-D682 HydrophobicContact CG2-CB 4.21Å; F560-D682 PolarHBondContact N-OD1 3.12Å; F560-D682 WeakPolarHBondContact O-CA 3.16Å; R598-D682 IonicContact CZ-OD1 3.97Å; R598-D682 IonicContact CZ-OD2 2.77Å; R598-D682 IonicContact NH1-OD1 3.28Å; R598-D682 PolarHBondContact NH1-OD1 2.95Å; R598-D682 IonicContact NH1-OD2 3.92Å; R598-D682 PolarHBondContact NH1-OD2 3.45Å; R598-D682 IonicContact NH2-OD1 3.24Å; R598-D682 PolarHBondContact NH2-OD1 3.2Å; R598-D682 IonicContact NH2-OD2 2.89Å; R598-D682 PolarHBondContact NH2-OD2 2.79Å
683G91.9Very high80.6Confident30 Ų3066 Ų6631%0.30933%0.328SS..  trans178.2-155.4-174.400000114.1R598R598-G683 PolarHBondContact NH2-O 3.04Å
684S93.7Very high83.7Confident27 Ų2758.6 Ų58.619%0.18929%0.289CS..  trans-56.9145.5172.4490000111V686 R741 L742S684-V686 PolarHBondContact O-N 3.26Å; S684-R741 WeakPolarHBondContact O-CD 2.99Å; S684-R741 VanDerWaalsContact O-CG 3.3Å; S684-R741 WeakPolarHBondContact O-CG 3.43Å; S684-R741 PolarHBondContact O-NH1 3.37Å; S684-R741 WeakPolarHBondContact OG-CD 3.47Å; S684-L742 PolarHBondContact OG-O 3.26Å
685G94.4Very high86.7Confident2 Ų251.8 Ų51.82%0.02125%0.252CS..SBendtrans-87.417.9171.800000113.2F560 L594 Y687F560-G685 VanDerWaalsContact CE2-CA 3.48Å; L594-G685 WeakPolarHBondContact CB-O 3.44Å; L594-G685 PolarHBondContact N-O 3.15Å; G685-Y687 WeakPolarHBondContact O-CD2 3.39Å
686V97.1Very high89Confident24 Ų2444.4 Ų44.415%0.14521%0.213CC..EExtended strand (participates in β ladder)trans-103.6126.6-176.6-170.40000108.7I591 L592 S684 L742I591-V686 HydrophobicContact CG2-CG1 3.94Å; L592-V686 CarbonylContact O-C 3.33Å; L592-V686 WeakPolarHBondContact O-CA 3.49Å; S684-V686 PolarHBondContact O-N 3.26Å; V686-L742 HydrophobicContact CG1-CD1 4.03Å; V686-L742 PolarHBondContact O-N 3.29Å
687Y97.8Very high89.8Confident0 Ų034.9 Ų34.90%018%0.178CC..EExtended strand (participates in β ladder)trans-128.9154.9-173.1-67.3-94.7000112.3F560 P561 L564 I591 L592 L594 G685 E740 R741F560-Y687 VanDerWaalsContact CB-OH 3.3Å; F560-Y687 WeakPolarHBondContact CB-OH 3.35Å; F560-Y687 HydrophobicContact CD1-CE2 4.49Å; P561-Y687 WeakPolarHBondContact CD-OH 3.48Å; P561-Y687 VanDerWaalsContact O-CE1 3.27Å; P561-Y687 WeakPolarHBondContact O-CE1 3.48Å; P561-Y687 PolarHBondContact O-OH 3.46Å; L564-Y687 HydrophobicContact CB-CD1 4.14Å; L564-Y687 HydrophobicContact CB-CE1 3.79Å; L564-Y687 HydrophobicContact CD2-CE2 4.4Å; I591-Y687 CarbonylContact C-O 3.58Å; I591-Y687 VanDerWaalsContact CA-O 3.3Å; I591-Y687 WeakPolarHBondContact CA-O 3.36Å; L592-Y687 PolarHBondContact N-O 3.1Å; L592-Y687 PolarHBondContact O-N 3.19Å; L594-Y687 HydrophobicContact CD1-CD2 4.12Å; L594-Y687 HydrophobicContact CD1-CE2 3.95Å; L594-Y687 HydrophobicContact CG-CD2 4.41Å; G685-Y687 WeakPolarHBondContact O-CD2 3.39Å; Y687-E740 CarbonylContact C-O 3.58Å; Y687-E740 VanDerWaalsContact CA-O 3.23Å; Y687-E740 WeakPolarHBondContact CA-O 3.39Å; Y687-R741 HydrophobicContact CD1-CB 4.01Å; Y687-R741 HydrophobicContact CE1-CB 3.72Å; Y687-R741 HydrophobicContact CE1-CG 4.16Å
688Q97Very high89.8Confident47 Ų4727.5 Ų27.522%0.2215%0.15CC..EExtended strand (participates in β ladder)trans-114.8136.9169.1-176.3176.828.400110.5E590 I591 R690 Y739 E740 L742E590-Q688 CarbonylContact O-C 3.51Å; E590-Q688 WeakPolarHBondContact O-CA 3.37Å; I591-Q688 HydrophobicContact CD1-CB 4.07Å; I591-Q688 HydrophobicContact CD1-CG 4.03Å; Q688-R690 PolarHBondContact O-N 3Å; Q688-Y739 VanDerWaalsContact C-CD1 3.43Å; Q688-Y739 CarbonylContact O-C 3.41Å; Q688-Y739 WeakPolarHBondContact O-CA 3.35Å; Q688-E740 PolarHBondContact N-O 3.38Å; Q688-E740 PolarHBondContact O-N 3.15Å; Q688-L742 HydrophobicContact CB-CD1 4.48Å; Q688-L742 HydrophobicContact CB-CD2 3.87Å; Q688-L742 HydrophobicContact CB-CG 4.18Å
689L97.9Very high89.6Confident2 Ų224.4 Ų24.41%0.0114%0.139CC..EExtended strand (participates in β ladder)trans-65.1123.7175.9-178.269.2000109.9I588 E590 G691 W715 Y737 Y739I588-L689 HydrophobicContact CG2-CD1 4.37Å; I588-L689 HydrophobicContact CG2-CD2 4.02Å; E590-L689 PolarHBondContact O-N 3.07Å; L689-G691 WeakPolarHBondContact CD1-O 3.32Å; L689-W715 HydrophobicContact CD2-CH2 3.9Å; L689-W715 HydrophobicContact CD2-CZ2 4.1Å; L689-W715 HydrophobicContact CG-CH2 3.99Å; L689-W715 HydrophobicContact CG-CZ2 4.41Å; L689-Y737 HydrophobicContact CD1-CD1 4.05Å; L689-Y739 HydrophobicContact CB-CD1 4.23Å; L689-Y739 HydrophobicContact CB-CE1 3.71Å; L689-Y739 HydrophobicContact CD1-CD2 4.18Å; L689-Y739 HydrophobicContact CD1-CE1 4.23Å; L689-Y739 HydrophobicContact CD1-CE2 3.72Å
690R97.5Very high89.2Confident49 Ų4921.3 Ų21.319%0.18513%0.128CC..EExtended strand (participates in β ladder)trans-113.5-20.3179.2-67.5-51.7-57.5-128.29.1113.9L330 W563 Q688 L710 L738 E740L330-R690 HydrophobicContact CD2-CB 3.82Å; L330-R690 WeakPolarHBondContact CD2-O 3.45Å; W563-R690 HydrophobicContact CH2-CB 4.45Å; W563-R690 HydrophobicContact CH2-CG 4.11Å; W563-R690 HydrophobicContact CZ3-CB 3.86Å; W563-R690 HydrophobicContact CZ3-CG 3.82Å; Q688-R690 PolarHBondContact O-N 3Å; R690-L710 PolarHBondContact NH2-O 2.91Å; R690-L710 PolarHBondContact O-N 3.31Å; R690-L738 PolarHBondContact N-O 3.21Å; R690-E740 WeakPolarHBondContact CD-OE2 3.38Å; R690-E740 HydrophobicContact CG-CB 3.39Å; R690-E740 IonicContact CZ-OE2 3.82Å; R690-E740 IonicContact NE-OE2 3.92Å; R690-E740 IonicContact NH1-OE2 2.74Å; R690-E740 PolarHBondContact NH1-OE2 3.23Å
691G97.7Very high88.2Confident0 Ų025.5 Ų25.50%015%0.148CC..EExtended strand (participates in β ladder)trans-174.4166.7179.400000113.4L689 H708 L738L689-G691 WeakPolarHBondContact CD1-O 3.32Å; G691-H708 CarbonylContact C-O 3.33Å; G691-H708 WeakPolarHBondContact CA-O 3.18Å; G691-L738 PolarHBondContact N-O 2.85Å; G691-L738 PolarHBondContact O-N 3.07Å
692F98.1Very high87.2Confident3 Ų326.2 Ų26.21%0.01315%0.153CC..EExtended strand (participates in β ladder)trans-152.6153.7170.659.1-86.1000111.3C707 H708 W715 P729 P730 N731 I736 Y737F692-C707 CarbonylContact O-C 3.56Å; F692-C707 VanDerWaalsContact O-CA 3.26Å; F692-C707 WeakPolarHBondContact O-CA 3.1Å; F692-H708 HydrophobicContact CD1-CB 4.03Å; F692-H708 HydrophobicContact CD2-CB 4.28Å; F692-H708 HydrophobicContact CE1-CB 3.48Å; F692-H708 VanDerWaalsContact CE1-CB 3.48Å; F692-H708 HydrophobicContact CE2-CB 3.78Å; F692-H708 AromaticContact CE2-CG 3.78Å; F692-H708 AromaticContact CE2-ND1 3.56Å; F692-H708 HydrophobicContact CG-CB 4.4Å; F692-H708 HydrophobicContact CZ-CB 3.34Å; F692-H708 AromaticContact CZ-CG 3.5Å; F692-H708 AromaticContact CZ-ND1 3.78Å; F692-H708 PolarHBondContact N-O 3.21Å; F692-H708 PolarHBondContact O-N 3.1Å; F692-W715 HydrophobicContact CD1-CH2 4.13Å; F692-W715 AromaticContact CD1-CZ3 3.89Å; F692-W715 HydrophobicContact CD1-CZ3 3.89Å; F692-W715 HydrophobicContact CE1-CE3 4.22Å; F692-W715 HydrophobicContact CE1-CH2 4.08Å; F692-W715 AromaticContact CE1-CZ3 3.7Å; F692-W715 HydrophobicContact CE1-CZ3 3.7Å; F692-P729 HydrophobicContact CE1-CB 4Å; F692-P729 HydrophobicContact CZ-CB 3.88Å; F692-P730 HydrophobicContact CE2-CG 4.43Å; F692-N731 HydrophobicContact CD1-CB 4Å; F692-N731 HydrophobicContact CE1-CB 3.63Å; F692-N731 HydrophobicContact CE2-CB 4.46Å; F692-N731 HydrophobicContact CZ-CB 3.88Å; F692-I736 CarbonylContact C-O 3.6Å; F692-I736 WeakPolarHBondContact CA-O 3.47Å; F692-I736 WeakPolarHBondContact CB-O 3.38Å; F692-Y737 HydrophobicContact CB-CD1 3.54Å; F692-Y737 HydrophobicContact CB-CE1 3.79Å; F692-Y737 HydrophobicContact CB-CG 4.3Å; F692-Y737 HydrophobicContact CG-CD1 4.4Å; F692-Y737 HydrophobicContact CG-CE1 4.28Å
693I97.5Very high86.5Confident2 Ų223 Ų231%0.0114%0.139CC..EExtended strand (participates in β ladder)trans-113.5127.3174.5-54.4175.8000107.5V324 A327 V421 Y705 V706 C707 Y735 I736V324-I693 HydrophobicContact CG2-CD1 4.02Å; A327-I693 HydrophobicContact CB-CD1 4.5Å; V421-I693 HydrophobicContact CG2-CD1 3.96Å; V421-I693 HydrophobicContact CG2-CG2 4.37Å; I693-Y705 HydrophobicContact CG2-CD1 3.76Å; I693-Y705 HydrophobicContact CG2-CG 4.47Å; I693-V706 WeakPolarHBondContact CA-O 3.47Å; I693-C707 HydrophobicContact CG1-CB 3.89Å; I693-Y735 PolarHBondContact O-N 3.35Å; I693-I736 HydrophobicContact CB-CB 4.2Å; I693-I736 HydrophobicContact CD1-CB 4.49Å; I693-I736 PolarHBondContact N-O 2.74Å; I693-I736 PolarHBondContact O-N 3.34Å; I693-I736 VanDerWaalsContact O-N 3.12Å
694S94.1Very high86.2Confident0 Ų022.8 Ų22.80%013%0.13CC..EExtended strand (participates in β ladder)trans-107.8136.5179.6-60.50000110.5Y705 V706S694-Y705 WeakPolarHBondContact O-CA 3.4Å; S694-V706 PolarHBondContact N-O 2.92Å; S694-V706 PolarHBondContact O-N 3.45Å; S694-V706 VanDerWaalsContact O-N 3.17Å
695H90.6Very high86.1Confident12 Ų1222 Ų226%0.05612%0.123CC..EExtended strand (participates in β ladder)trans-96.1109.4168.8179.1-94.3000109.6F571 K581 S699 G703 Y705F571-H695 AromaticContact CZ-ND1 3.96Å; K581-H695 PolarHBondContact NZ-O 2.78Å; H695-S699 PolarHBondContact CE1-O 3.31Å; H695-G703 WeakPolarHBondContact NE2-CA 3.35Å; H695-Y705 HydrophobicContact CB-CD1 4.12Å; H695-Y705 HydrophobicContact CB-CE1 3.66Å; H695-Y705 AromaticContact CD2-CE1 3.75Å; H695-Y705 AromaticContact CD2-CE2 3.87Å; H695-Y705 AromaticContact CD2-CZ 3.51Å
696I81.9Confident86.1Confident0 Ų022 Ų220%012%0.122CC..EExtended strand (participates in β ladder)trans-92.4113.8176.9-45-179.6000107.3E290 Y291 I294 Q295 G703 H704 V706E290-I696 HydrophobicContact CB-CG2 3.97Å; Y291-I696 HydrophobicContact CD1-CG2 4.48Å; Y291-I696 HydrophobicContact CD2-CG2 3.46Å; Y291-I696 VanDerWaalsContact CD2-CG2 3.46Å; Y291-I696 HydrophobicContact CE1-CG2 4.49Å; Y291-I696 HydrophobicContact CE2-CG2 3.5Å; Y291-I696 VanDerWaalsContact CE2-CG2 3.5Å; Y291-I696 HydrophobicContact CG-CG2 3.99Å; I294-I696 HydrophobicContact CB-CD1 3.86Å; I294-I696 HydrophobicContact CB-CG1 4.02Å; I294-I696 HydrophobicContact CD1-CB 4.36Å; I294-I696 HydrophobicContact CD1-CG1 3.75Å; I294-I696 HydrophobicContact CD1-CG2 4.4Å; I294-I696 HydrophobicContact CG1-CG1 4.48Å; I294-I696 HydrophobicContact CG2-CD1 3.52Å; I294-I696 HydrophobicContact CG2-CG1 3.68Å; Q295-I696 HydrophobicContact CG-CD1 3.92Å; I696-G703 CarbonylContact O-C 3.51Å; I696-G703 WeakPolarHBondContact O-CA 3.41Å; I696-H704 HydrophobicContact CB-CB 4.41Å; I696-H704 WeakPolarHBondContact CB-O 3.49Å; I696-H704 PolarHBondContact N-O 3Å; I696-H704 PolarHBondContact O-N 3.17Å; I696-V706 HydrophobicContact CD1-CB 4.36Å; I696-V706 HydrophobicContact CD1-CG2 3.79Å
697G69.9Low86.1Confident3 Ų320.8 Ų20.83%0.03112%0.115CC..SBendtrans162.7146.8-176.900000112.7E290 K581 S699E290-G697 PolarHBondContact OE2-N 2.71Å; K581-G697 WeakPolarHBondContact CD-O 3.32Å; K581-G697 PolarHBondContact NZ-O 2.96Å; G697-S699 VanDerWaalsContact C-N 3.34Å
698P63.9Low86.1Confident39 Ų3920.8 Ų20.825%0.25312%0.115SC..SBendtrans-81.9-13.1-173.928.1-27000113.6L283 N286L283-P698 HydrophobicContact CD2-CB 4.35Å; L283-P698 HydrophobicContact CD2-CG 3.23Å; N286-P698 HydrophobicContact CB-CB 3.88Å
699S69.4Low86.1Confident31 Ų3118.6 Ų18.622%0.21711%0.105CC..SBendtrans-131.1168.3-173.284.30000112.1H695 G697 H701 S702H695-S699 PolarHBondContact CE1-O 3.31Å; G697-S699 VanDerWaalsContact C-N 3.34Å; S699-H701 VanDerWaalsContact C-N 3.27Å; S699-H701 PolarHBondContact OG-N 2.87Å; S699-H701 VanDerWaalsContact OG-N 3.13Å; S699-S702 PolarHBondContact OG-N 3Å; S699-S702 PolarHBondContact OG-OG 3.41Å
700A73Confident86Confident34 Ų3419.4 Ų19.428%0.28111%0.109SC..SBendtrans-76.4-14.917000000113F571 P579F571-A700 HydrophobicContact CD1-CB 3.7Å; F571-A700 HydrophobicContact CE1-CB 4.09Å; P579-A700 HydrophobicContact CB-CB 3.78Å
701H68Low85.9Confident133 Ų13317.9 Ų17.962%0.61610%0.104SC*.SBendtrans-101.4-14-175.3-60.4-60.6000113.4S699S699-H701 VanDerWaalsContact C-N 3.27Å; S699-H701 PolarHBondContact OG-N 2.87Å; S699-H701 VanDerWaalsContact OG-N 3.13Å
702S68Low85.5Confident31 Ų3125.2 Ų25.222%0.21714%0.143CC..SBendtrans-146.5134.6-178.566.80000112.9S699S699-S702 PolarHBondContact OG-N 3Å; S699-S702 PolarHBondContact OG-OG 3.41Å
703G76.7Confident85.1Confident14 Ų1428.6 Ų28.614%0.14418%0.178CC..  trans177.8-163.8172.700000113Q418 H695 I696Q418-G703 PolarHBondContact NE2-O 3.2Å; Q418-G703 PolarHBondContact OE1-O 2.79Å; Q418-G703 VanDerWaalsContact OE1-O 3.08Å; H695-G703 WeakPolarHBondContact NE2-CA 3.35Å; I696-G703 CarbonylContact O-C 3.51Å; I696-G703 WeakPolarHBondContact O-CA 3.41Å
704H86.1Confident85Confident26 Ų2632.5 Ų32.512%0.1219%0.193CC..EExtended strand (participates in β ladder)trans-142.1133.2-174.8-174.157.6000109.9I696 N719 D720I696-H704 HydrophobicContact CB-CB 4.41Å; I696-H704 WeakPolarHBondContact CB-O 3.49Å; I696-H704 PolarHBondContact N-O 3Å; I696-H704 PolarHBondContact O-N 3.17Å; H704-N719 PolarHBondContact NE2-OD1 3.47Å; H704-D720 IonicContact CE1-OD2 3.51Å; H704-D720 PolarHBondContact CE1-OD2 3.4Å; H704-D720 VanDerWaalsContact CE1-OD2 3.24Å; H704-D720 IonicContact NE2-OD2 3.23Å
705Y92.4Very high85.1Confident11 Ų1134.8 Ų34.84%0.04320%0.202CC..EExtended strand (participates in β ladder)trans-98.8133179.3-72.4-75.9000111.6C319 S323 Q419 V421 I693 S694 H695 Y735C319-Y705 PolarHBondContact SG-N 3.25Å; C319-Y705 VanDerWaalsContact SG-N 3.42Å; S323-Y705 PolarHBondContact OG-O 3.48Å; Q419-Y705 WeakPolarHBondContact O-CE2 3.44Å; V421-Y705 HydrophobicContact CB-CD1 4.21Å; V421-Y705 HydrophobicContact CB-CE1 3.73Å; V421-Y705 HydrophobicContact CB-CE2 4.32Å; V421-Y705 HydrophobicContact CG1-CD1 4.23Å; V421-Y705 HydrophobicContact CG1-CE1 3.54Å; V421-Y705 PolarHBondContact N-OH 2.97Å; I693-Y705 HydrophobicContact CG2-CD1 3.76Å; I693-Y705 HydrophobicContact CG2-CG 4.47Å; S694-Y705 WeakPolarHBondContact O-CA 3.4Å; H695-Y705 HydrophobicContact CB-CD1 4.12Å; H695-Y705 HydrophobicContact CB-CE1 3.66Å; H695-Y705 AromaticContact CD2-CE1 3.75Å; H695-Y705 AromaticContact CD2-CE2 3.87Å; H695-Y705 AromaticContact CD2-CZ 3.51Å; Y705-Y735 HydrophobicContact CE1-CD1 4.03Å
706V93.6Very high85.3Confident0 Ų034.2 Ų34.20%020%0.199CC..EExtended strand (participates in β ladder)trans-132143173173.40000107.7I693 S694 I696 M717 F718 N719I693-V706 WeakPolarHBondContact CA-O 3.47Å; S694-V706 PolarHBondContact N-O 2.92Å; S694-V706 PolarHBondContact O-N 3.45Å; S694-V706 VanDerWaalsContact O-N 3.17Å; I696-V706 HydrophobicContact CD1-CB 4.36Å; I696-V706 HydrophobicContact CD1-CG2 3.79Å; V706-M717 HydrophobicContact CG1-CG 3.53Å; V706-M717 HydrophobicContact CG1-SD 3.9Å; V706-F718 WeakPolarHBondContact CG1-O 3.06Å; V706-N719 HydrophobicContact CG1-CB 4.21Å; V706-N719 HydrophobicContact CG2-CB 3.99Å
707C96.8Very high85.9Confident0 Ų034.4 Ų34.40%020%0.2CC..EExtended strand (participates in β ladder)trans-117.7144.6174.379.30000112.4Q326 F692 I693 F718Q326-C707 VanDerWaalsContact CB-SG 3.57Å; F692-C707 CarbonylContact O-C 3.56Å; F692-C707 VanDerWaalsContact O-CA 3.26Å; F692-C707 WeakPolarHBondContact O-CA 3.1Å; I693-C707 HydrophobicContact CG1-CB 3.89Å; C707-F718 PolarHBondContact N-O 2.95Å; C707-F718 VanDerWaalsContact N-O 3.15Å; C707-F718 PolarHBondContact O-N 2.83Å
708H97.6Very high87Confident0 Ų034.4 Ų34.40%020%0.199CC..EExtended strand (participates in β ladder)trans-114.7126.8172.9-71.377000108.3I294 G691 F692 W715 V716I294-H708 PolarHBondContact O-CE1 3.04Å; G691-H708 CarbonylContact C-O 3.33Å; G691-H708 WeakPolarHBondContact CA-O 3.18Å; F692-H708 HydrophobicContact CD1-CB 4.03Å; F692-H708 HydrophobicContact CD2-CB 4.28Å; F692-H708 HydrophobicContact CE1-CB 3.48Å; F692-H708 VanDerWaalsContact CE1-CB 3.48Å; F692-H708 HydrophobicContact CE2-CB 3.78Å; F692-H708 AromaticContact CE2-CG 3.78Å; F692-H708 AromaticContact CE2-ND1 3.56Å; F692-H708 HydrophobicContact CG-CB 4.4Å; F692-H708 HydrophobicContact CZ-CB 3.34Å; F692-H708 AromaticContact CZ-CG 3.5Å; F692-H708 AromaticContact CZ-ND1 3.78Å; F692-H708 PolarHBondContact N-O 3.21Å; F692-H708 PolarHBondContact O-N 3.1Å; H708-W715 HydrophobicContact CB-CE3 4.03Å; H708-W715 HydrophobicContact CB-CZ3 4.2Å; H708-V716 CarbonylContact C-O 3.55Å; H708-V716 WeakPolarHBondContact CA-O 3.19Å
709L97.6Very high88.3Confident1 Ų133.2 Ų33.21%0.00519%0.191CC..EExtended strand (participates in β ladder)trans-128.3135.8-176.2-55.6177.1000110.4Q326 A327 L330 K711 V716 F718Q326-L709 HydrophobicContact CB-CD1 3.96Å; Q326-L709 VanDerWaalsContact O-CD1 3.32Å; Q326-L709 WeakPolarHBondContact O-CD1 3.49Å; A327-L709 HydrophobicContact CB-CD2 4.02Å; L330-L709 HydrophobicContact CD2-CD2 4.43Å; L709-K711 HydrophobicContact CB-CG 4.35Å; L709-K711 PolarHBondContact O-N 3.01Å; L709-V716 PolarHBondContact N-O 3.1Å; L709-V716 PolarHBondContact O-N 2.8Å; L709-F718 HydrophobicContact CB-CE2 4.26Å; L709-F718 HydrophobicContact CD1-CD2 4Å; L709-F718 HydrophobicContact CD1-CE2 3.88Å; L709-F718 HydrophobicContact CG-CD2 4.26Å; L709-F718 HydrophobicContact CG-CE2 4.29Å
710L96.6Very high89.3Confident18 Ų1832.5 Ų32.59%0.09418%0.184CC..EExtended strand (participates in β ladder)trans-82102.4173.7-176.764.3000109.5R690 W715R690-L710 PolarHBondContact NH2-O 2.91Å; R690-L710 PolarHBondContact O-N 3.31Å; L710-W715 HydrophobicContact CB-CD2 4.31Å; L710-W715 HydrophobicContact CB-CE3 4.32Å; L710-W715 HydrophobicContact CB-CH2 4.15Å; L710-W715 HydrophobicContact CB-CZ2 4.13Å; L710-W715 HydrophobicContact CB-CZ3 4.26Å; L710-W715 HydrophobicContact CD1-CD2 4.35Å; L710-W715 HydrophobicContact CD1-CG 4.37Å
711K93.9Very high89.9Confident17 Ų1733.5 Ų33.57%0.07418%0.183CC..EExtended strand (participates in β ladder)trans-118.8125.8-179.2-70.1-178.3171.2175.10109.4G308 L309 L330 L709 G713 R714 V716 F718G308-K711 PolarHBondContact O-NZ 2.93Å; L309-K711 HydrophobicContact CD2-CD 4.49Å; L330-K711 HydrophobicContact CD1-CG 4.04Å; L709-K711 HydrophobicContact CB-CG 4.35Å; L709-K711 PolarHBondContact O-N 3.01Å; K711-G713 PolarHBondContact O-N 3.31Å; K711-G713 VanDerWaalsContact O-N 3.14Å; K711-R714 PolarHBondContact N-O 3.3Å; K711-R714 WeakPolarHBondContact O-CG 3.34Å; K711-R714 PolarHBondContact O-N 2.88Å; K711-V716 HydrophobicContact CB-CG2 4.24Å; K711-F718 HydrophobicContact CD-CE2 4.17Å; K711-F718 HydrophobicContact CD-CZ 4.06Å
712D89.5Confident90.6Very high154 Ų15429.5 Ų29.582%0.82416%0.164SC*.THydrogen-bonded Turntrans49.440178.4-51.9-40.8000114.3R714D712-R714 VanDerWaalsContact C-N 3.31Å; D712-R714 PolarHBondContact O-N 3.23Å
713G91Very high91.7Very high74 Ų7428.5 Ų28.576%0.76316%0.157SC*.THydrogen-bonded Turntrans78.94.8178.800000115.6K711K711-G713 PolarHBondContact O-N 3.31Å; K711-G713 VanDerWaalsContact O-N 3.14Å
714R94Very high92.3Very high85 Ų8528.9 Ų28.932%0.32116%0.155SC..EExtended strand (participates in β ladder)trans-124.3148.8175.458.4174.8178.1-179.2-0.2112.2L304 K711 D712 V716L304-R714 VanDerWaalsContact CD2-NH1 3.34Å; K711-R714 PolarHBondContact N-O 3.3Å; K711-R714 WeakPolarHBondContact O-CG 3.34Å; K711-R714 PolarHBondContact O-N 2.88Å; D712-R714 VanDerWaalsContact C-N 3.31Å; D712-R714 PolarHBondContact O-N 3.23Å; R714-V716 HydrophobicContact CG-CG2 4.39Å
715W95.9Very high92.5Very high48 Ų4831 Ų3118%0.18216%0.164CC..EExtended strand (participates in β ladder)trans-80.9131.8173.6-75.498.3000110.5L689 F692 H708 L710 S726 P729L689-W715 HydrophobicContact CD2-CH2 3.9Å; L689-W715 HydrophobicContact CD2-CZ2 4.1Å; L689-W715 HydrophobicContact CG-CH2 3.99Å; L689-W715 HydrophobicContact CG-CZ2 4.41Å; F692-W715 HydrophobicContact CD1-CH2 4.13Å; F692-W715 AromaticContact CD1-CZ3 3.89Å; F692-W715 HydrophobicContact CD1-CZ3 3.89Å; F692-W715 HydrophobicContact CE1-CE3 4.22Å; F692-W715 HydrophobicContact CE1-CH2 4.08Å; F692-W715 AromaticContact CE1-CZ3 3.7Å; F692-W715 HydrophobicContact CE1-CZ3 3.7Å; H708-W715 HydrophobicContact CB-CE3 4.03Å; H708-W715 HydrophobicContact CB-CZ3 4.2Å; L710-W715 HydrophobicContact CB-CD2 4.31Å; L710-W715 HydrophobicContact CB-CE3 4.32Å; L710-W715 HydrophobicContact CB-CH2 4.15Å; L710-W715 HydrophobicContact CB-CZ2 4.13Å; L710-W715 HydrophobicContact CB-CZ3 4.26Å; L710-W715 HydrophobicContact CD1-CD2 4.35Å; L710-W715 HydrophobicContact CD1-CG 4.37Å; W715-S726 PolarHBondContact O-N 3.33Å; W715-P729 HydrophobicContact CB-CB 4.35Å; W715-P729 HydrophobicContact CB-CG 4.29Å; W715-P729 HydrophobicContact CD2-CB 4.03Å; W715-P729 HydrophobicContact CD2-CG 3.97Å; W715-P729 HydrophobicContact CE3-CB 4.29Å; W715-P729 HydrophobicContact CG-CB 4.04Å; W715-P729 HydrophobicContact CG-CG 3.73Å
716V95.5Very high92.4Very high0 Ų030.7 Ų30.70%016%0.164CC..EExtended strand (participates in β ladder)trans-123.6123.5179.4-178.20000108.7L304 L309 H708 L709 K711 R714 F718 V723 F724L304-V716 HydrophobicContact CD1-CB 4.38Å; L304-V716 HydrophobicContact CD1-CG1 3.97Å; L304-V716 HydrophobicContact CD1-CG2 3.71Å; L309-V716 HydrophobicContact CD2-CG1 3.92Å; L309-V716 HydrophobicContact CD2-CG2 4.05Å; H708-V716 CarbonylContact C-O 3.55Å; H708-V716 WeakPolarHBondContact CA-O 3.19Å; L709-V716 PolarHBondContact N-O 3.1Å; L709-V716 PolarHBondContact O-N 2.8Å; K711-V716 HydrophobicContact CB-CG2 4.24Å; R714-V716 HydrophobicContact CG-CG2 4.39Å; V716-F718 HydrophobicContact CB-CE2 3.78Å; V716-F718 HydrophobicContact CB-CZ 4.28Å; V716-F718 HydrophobicContact CG1-CD2 4.01Å; V716-F718 HydrophobicContact CG1-CE1 4.33Å; V716-F718 HydrophobicContact CG1-CE2 3.36Å; V716-F718 HydrophobicContact CG1-CZ 3.52Å; V716-V723 HydrophobicContact CG1-CG1 3.51Å; V716-F724 CarbonylContact C-O 3.55Å; V716-F724 WeakPolarHBondContact CA-O 3.25Å
717M94Very high92.1Very high3 Ų336.4 Ų36.42%0.01519%0.191CC..EExtended strand (participates in β ladder)trans-87.8127.3172.1-177.6175.266.700109.6Q295 L301 V706 V723 F724Q295-M717 HydrophobicContact CB-CE 4.4Å; Q295-M717 HydrophobicContact CB-SD 4.3Å; L301-M717 HydrophobicContact CD1-CE 3.68Å; V706-M717 HydrophobicContact CG1-CG 3.53Å; V706-M717 HydrophobicContact CG1-SD 3.9Å; M717-V723 WeakPolarHBondContact O-CA 3.49Å; M717-F724 HydrophobicContact CE-CB 4.3Å; M717-F724 HydrophobicContact CE-CD2 3.7Å; M717-F724 HydrophobicContact CE-CG 4.43Å; M717-F724 PolarHBondContact N-O 2.83Å; M717-F724 PolarHBondContact O-N 3.39Å
718F94.1Very high91.7Very high3 Ų343.4 Ų43.41%0.01322%0.221CC..EExtended strand (participates in β ladder)trans-111.3110.8169.8-62.8-95.3000108.7L309 Q326 V706 C707 L709 K711 V716 V723L309-F718 HydrophobicContact CD2-CZ 4.31Å; Q326-F718 HydrophobicContact CB-CG 4.42Å; Q326-F718 HydrophobicContact CG-CB 3.92Å; Q326-F718 HydrophobicContact CG-CD1 3.94Å; Q326-F718 HydrophobicContact CG-CG 3.88Å; Q326-F718 VanDerWaalsContact NE2-CD1 3.27Å; V706-F718 WeakPolarHBondContact CG1-O 3.06Å; C707-F718 PolarHBondContact N-O 2.95Å; C707-F718 VanDerWaalsContact N-O 3.15Å; C707-F718 PolarHBondContact O-N 2.83Å; L709-F718 HydrophobicContact CB-CE2 4.26Å; L709-F718 HydrophobicContact CD1-CD2 4Å; L709-F718 HydrophobicContact CD1-CE2 3.88Å; L709-F718 HydrophobicContact CG-CD2 4.26Å; L709-F718 HydrophobicContact CG-CE2 4.29Å; K711-F718 HydrophobicContact CD-CE2 4.17Å; K711-F718 HydrophobicContact CD-CZ 4.06Å; V716-F718 HydrophobicContact CB-CE2 3.78Å; V716-F718 HydrophobicContact CB-CZ 4.28Å; V716-F718 HydrophobicContact CG1-CD2 4.01Å; V716-F718 HydrophobicContact CG1-CE1 4.33Å; V716-F718 HydrophobicContact CG1-CE2 3.36Å; V716-F718 HydrophobicContact CG1-CZ 3.52Å; F718-V723 HydrophobicContact CD1-CB 4.35Å; F718-V723 HydrophobicContact CD1-CG1 3.86Å; F718-V723 HydrophobicContact CD1-CG2 3.62Å; F718-V723 HydrophobicContact CE1-CB 4.36Å; F718-V723 HydrophobicContact CE1-CG1 3.53Å; F718-V723 HydrophobicContact CE1-CG2 3.83Å; F718-V723 HydrophobicContact CZ-CG1 3.94Å
719N90.4Very high91.3Very high15 Ų1544.9 Ų44.98%0.0823%0.231CC..EExtended strand (participates in β ladder)trans-118.785.7174.9-177.2-0.1000107.7Q295 H704 V706 E721 K722Q295-N719 VanDerWaalsContact CD-ND2 3.33Å; Q295-N719 PolarHBondContact NE2-ND2 2.9Å; Q295-N719 PolarHBondContact OE1-ND2 2.92Å; Q295-N719 VanDerWaalsContact OE1-ND2 3.17Å; H704-N719 PolarHBondContact NE2-OD1 3.47Å; V706-N719 HydrophobicContact CG1-CB 4.21Å; V706-N719 HydrophobicContact CG2-CB 3.99Å; N719-E721 PolarHBondContact O-N 2.84Å; N719-K722 PolarHBondContact N-O 2.88Å; N719-K722 WeakPolarHBondContact O-CB 3.18Å; N719-K722 PolarHBondContact O-N 3.28Å
720D89.8Confident91Very high15 Ų1545.3 Ų45.38%0.0823%0.234CC..THydrogen-bonded Turntrans50.8-120.1-172.4-65.7-35.2000112G311 M312 N314 N322 H704 K722G311-D720 CarbonylContact C-O 3.55Å; G311-D720 VanDerWaalsContact CA-O 3.23Å; G311-D720 WeakPolarHBondContact CA-O 2.95Å; M312-D720 PolarHBondContact N-O 2.85Å; M312-D720 CarbonylContact O-C 3.57Å; M312-D720 WeakPolarHBondContact O-CA 3.49Å; M312-D720 VanDerWaalsContact O-CB 3.26Å; M312-D720 WeakPolarHBondContact O-CB 3.25Å; N314-D720 HydrophobicContact CB-CB 4.21Å; N314-D720 WeakPolarHBondContact CB-OD2 3.48Å; N314-D720 PolarHBondContact ND2-OD2 2.97Å; N322-D720 PolarHBondContact ND2-OD1 3.01Å; H704-D720 IonicContact CE1-OD2 3.51Å; H704-D720 PolarHBondContact CE1-OD2 3.4Å; H704-D720 VanDerWaalsContact CE1-OD2 3.24Å; H704-D720 IonicContact NE2-OD2 3.23Å; D720-K722 PolarHBondContact O-N 2.99Å
721E85.8Confident90.8Very high55 Ų5546.6 Ų46.626%0.25724%0.241SC..THydrogen-bonded Turntrans-66.3-18.9178.658.4-125.6-150.700113.6M312 C392 N719M312-E721 PolarHBondContact O-N 2.81Å; C392-E721 HydrophobicContact CB-CG 4.41Å; N719-E721 PolarHBondContact O-N 2.84Å
722K84.2Confident90.7Very high49 Ų4948 Ų4821%0.21325%0.247CC..EExtended strand (participates in β ladder)trans-93.4126.8-174.4-56.4178.7-177.9173.80111.1N719 D720 F724N719-K722 PolarHBondContact N-O 2.88Å; N719-K722 WeakPolarHBondContact O-CB 3.18Å; N719-K722 PolarHBondContact O-N 3.28Å; D720-K722 PolarHBondContact O-N 2.99Å; K722-F724 HydrophobicContact CB-CD2 4.17Å; K722-F724 HydrophobicContact CB-CE2 3.48Å; K722-F724 VanDerWaalsContact CB-CE2 3.48Å; K722-F724 HydrophobicContact CB-CZ 4.05Å; K722-F724 HydrophobicContact CD-CE2 4.07Å; K722-F724 HydrophobicContact CD-CZ 4.37Å; K722-F724 HydrophobicContact CG-CE2 4.25Å
723V90.5Very high90.7Very high10 Ų1041.4 Ų41.46%0.06121%0.211CC..EExtended strand (participates in β ladder)trans-125.7119179.6-171.80000109.4P303 L304 L309 V716 M717 F718P303-V723 WeakPolarHBondContact CA-O 3.22Å; L304-V723 HydrophobicContact CB-CG1 4.27Å; L304-V723 PolarHBondContact N-O 3.06Å; L309-V723 HydrophobicContact CB-CG1 4.42Å; L309-V723 HydrophobicContact CD2-CG1 4.35Å; V716-V723 HydrophobicContact CG1-CG1 3.51Å; M717-V723 WeakPolarHBondContact O-CA 3.49Å; F718-V723 HydrophobicContact CD1-CB 4.35Å; F718-V723 HydrophobicContact CD1-CG1 3.86Å; F718-V723 HydrophobicContact CD1-CG2 3.62Å; F718-V723 HydrophobicContact CE1-CB 4.36Å; F718-V723 HydrophobicContact CE1-CG1 3.53Å; F718-V723 HydrophobicContact CE1-CG2 3.83Å; F718-V723 HydrophobicContact CZ-CG1 3.94Å
724F89.8Confident90.8Very high23 Ų2337.9 Ų37.910%0.10118%0.175CC..EExtended strand (participates in β ladder)trans-130.7152.7-175.4-61.6-72.3000111.8L301 V302 P303 V716 M717 K722 S726L301-F724 HydrophobicContact CB-CB 4.06Å; L301-F724 HydrophobicContact CB-CD1 3.89Å; L301-F724 HydrophobicContact CB-CG 4Å; L301-F724 HydrophobicContact CD1-CB 4.25Å; L301-F724 HydrophobicContact CD1-CD2 4.27Å; L301-F724 HydrophobicContact CD1-CG 4.22Å; V302-F724 WeakPolarHBondContact O-CA 3.39Å; P303-F724 HydrophobicContact CB-CD1 4.16Å; P303-F724 HydrophobicContact CB-CE1 4.08Å; V716-F724 CarbonylContact C-O 3.55Å; V716-F724 WeakPolarHBondContact CA-O 3.25Å; M717-F724 HydrophobicContact CE-CB 4.3Å; M717-F724 HydrophobicContact CE-CD2 3.7Å; M717-F724 HydrophobicContact CE-CG 4.43Å; M717-F724 PolarHBondContact N-O 2.83Å; M717-F724 PolarHBondContact O-N 3.39Å; K722-F724 HydrophobicContact CB-CD2 4.17Å; K722-F724 HydrophobicContact CB-CE2 3.48Å; K722-F724 VanDerWaalsContact CB-CE2 3.48Å; K722-F724 HydrophobicContact CB-CZ 4.05Å; K722-F724 HydrophobicContact CD-CE2 4.07Å; K722-F724 HydrophobicContact CD-CZ 4.37Å; K722-F724 HydrophobicContact CG-CE2 4.25Å; F724-S726 PolarHBondContact O-N 3.26Å
725Q90Very high90.8Very high69 Ų6934.2 Ų34.232%0.32216%0.161SC..EExtended strand (participates in β ladder)trans-72125.6164.2-171.7168.9-44.800109.2L301 V302 L304L301-Q725 WeakPolarHBondContact CD2-O 3.23Å; V302-Q725 HydrophobicContact CB-CB 4.49Å; V302-Q725 PolarHBondContact O-N 2.68Å; L304-Q725 HydrophobicContact CD1-CB 3.87Å; L304-Q725 HydrophobicContact CD2-CB 4.21Å; L304-Q725 HydrophobicContact CG-CB 4.1Å
726S90.6Very high90.9Very high6 Ų632 Ų324%0.04215%0.153CC..  trans-90.4127.9174.2164.40000108.8E296 W715 F724 P729E296-S726 WeakPolarHBondContact OE1-CA 3.42Å; E296-S726 WeakPolarHBondContact OE1-CB 3.49Å; E296-S726 PolarHBondContact OE1-OG 2.97Å; W715-S726 PolarHBondContact O-N 3.33Å; F724-S726 PolarHBondContact O-N 3.26Å; S726-P729 WeakPolarHBondContact OG-CA 3.25Å
727E86.7Confident91Very high120 Ų12032 Ų3256%0.56115%0.153SC*.SBendtrans-91.9-39.6178-67.7-172.4162.300110.9E296 H299E296-E727 PolarHBondContact OE2-N 3.09Å; H299-E727 IonicContact ND1-OE2 2.71Å
728K87.4Confident91.2Very high147 Ų14731.9 Ų31.964%0.63915%0.153SC*.SBendtrans-128.178.2-179-68.5-176.1-178.5179.10109.8E296 P730E296-K728 PolarHBondContact OE2-N 2.87Å; K728-P730 WeakPolarHBondContact O-CD 3.5Å
729P90.3Very high91.4Very high30 Ų3031.8 Ų31.820%0.19515%0.152CC..  trans-59.4123.7-175.724.6-35.7000110.8F692 W715 S726 N731F692-P729 HydrophobicContact CE1-CB 4Å; F692-P729 HydrophobicContact CZ-CB 3.88Å; W715-P729 HydrophobicContact CB-CB 4.35Å; W715-P729 HydrophobicContact CB-CG 4.29Å; W715-P729 HydrophobicContact CD2-CB 4.03Å; W715-P729 HydrophobicContact CD2-CG 3.97Å; W715-P729 HydrophobicContact CE3-CB 4.29Å; W715-P729 HydrophobicContact CG-CB 4.04Å; W715-P729 HydrophobicContact CG-CG 3.73Å; S726-P729 WeakPolarHBondContact OG-CA 3.25Å; P729-N731 PolarHBondContact O-N 2.84Å
730P90.3Very high91.8Very high11 Ų1133.6 Ų33.67%0.07116%0.16CC..  trans-80.455.2-173.530.7-33.7000111.5I294 F692 K728 E732 F733I294-P730 HydrophobicContact CB-CG 4.39Å; I294-P730 HydrophobicContact CG2-CG 4.28Å; I294-P730 WeakPolarHBondContact O-CG 3.45Å; F692-P730 HydrophobicContact CE2-CG 4.43Å; K728-P730 WeakPolarHBondContact O-CD 3.5Å; P730-E732 PolarHBondContact O-N 3.5Å; P730-E732 VanDerWaalsContact O-N 3.15Å; P730-F733 HydrophobicContact CB-CD2 4.01Å; P730-F733 PolarHBondContact O-N 2.98Å
731N92.7Very high92.1Very high45 Ų4533.9 Ų33.924%0.24116%0.16CC..G310 helixtrans-63.4-22.9-171.365.7-0.5000113.1I588 F692 P729 F733 G734 Y737I588-N731 WeakPolarHBondContact CG1-O 3.45Å; F692-N731 HydrophobicContact CD1-CB 4Å; F692-N731 HydrophobicContact CE1-CB 3.63Å; F692-N731 HydrophobicContact CE2-CB 4.46Å; F692-N731 HydrophobicContact CZ-CB 3.88Å; P729-N731 PolarHBondContact O-N 2.84Å; N731-F733 PolarHBondContact O-N 2.88Å; N731-G734 PolarHBondContact O-N 2.67Å; N731-Y737 WeakPolarHBondContact O-CE1 3.47Å; N731-Y737 VanDerWaalsContact O-CZ 3.31Å; N731-Y737 PolarHBondContact O-OH 3.05Å
732E91.8Very high92.5Very high46 Ų4634 Ų3422%0.21516%0.162CC..G310 helixtrans-70.4-18.317964.7-178.5165.900114.5R521 K570 S585 I586 P730R521-E732 IonicContact NH2-OE2 2.97Å; R521-E732 PolarHBondContact NH2-OE2 2.79Å; K570-E732 PolarHBondContact NZ-O 3.11Å; S585-E732 PolarHBondContact OG-OE2 2.96Å; I586-E732 PolarHBondContact N-O 2.97Å; I586-E732 WeakPolarHBondContact O-CA 3.32Å; I586-E732 WeakPolarHBondContact O-CB 3.42Å; P730-E732 PolarHBondContact O-N 3.5Å; P730-E732 VanDerWaalsContact O-N 3.15Å
733F89.6Confident92.3Very high15 Ų1542.8 Ų42.87%0.06619%0.194CC..G310 helixtrans-98.1-4.9178.7-52.8-62000113.8E293 I294 R519 K570 P730 N731E293-F733 VanDerWaalsContact CD-CZ 3.41Å; E293-F733 HydrophobicContact CG-CD2 4.17Å; E293-F733 HydrophobicContact CG-CE2 3.57Å; E293-F733 HydrophobicContact CG-CZ 4.36Å; E293-F733 WeakPolarHBondContact OE1-CE2 3.44Å; E293-F733 VanDerWaalsContact OE1-CZ 3.31Å; E293-F733 WeakPolarHBondContact OE1-CZ 3.33Å; E293-F733 WeakPolarHBondContact OE2-CE2 3.19Å; E293-F733 WeakPolarHBondContact OE2-CZ 3.36Å; I294-F733 HydrophobicContact CD1-CB 4.13Å; I294-F733 HydrophobicContact CG1-CB 4.24Å; I294-F733 HydrophobicContact CG1-CD2 4.47Å; R519-F733 VanDerWaalsContact NH1-CZ 3.3Å; K570-F733 VanDerWaalsContact NZ-C 3.29Å; K570-F733 PolarHBondContact NZ-O 3.4Å; P730-F733 HydrophobicContact CB-CD2 4.01Å; P730-F733 PolarHBondContact O-N 2.98Å; N731-F733 PolarHBondContact O-N 2.88Å
734G92.6Very high90.9Very high0 Ų051.5 Ų51.50%023%0.226CC..  trans-52.7151.2176.900000113.8K570 N731 Y737K570-G734 WeakPolarHBondContact CE-O 3.47Å; K570-G734 PolarHBondContact NZ-O 3.18Å; N731-G734 PolarHBondContact O-N 2.67Å; G734-Y737 VanDerWaalsContact CA-OH 3.23Å; G734-Y737 WeakPolarHBondContact CA-OH 3.44Å; G734-Y737 PolarHBondContact N-OH 2.98Å; G734-Y737 PolarHBondContact O-OH 3.15Å; G734-Y737 VanDerWaalsContact O-OH 3.11Å
735Y95.3Very high88.5Confident9 Ų961.7 Ų61.74%0.03528%0.281CS..SBendtrans-105.8-47.5176.1175.7-143.2000110.9D420 V421 Q567 V568 F571 I693 Y705D420-Y735 PolarHBondContact OD1-OH 3.18Å; D420-Y735 VanDerWaalsContact OD2-CE1 3.25Å; D420-Y735 WeakPolarHBondContact OD2-CE1 3.4Å; D420-Y735 PolarHBondContact OD2-OH 3.48Å; V421-Y735 HydrophobicContact CG1-CD1 3.49Å; V421-Y735 VanDerWaalsContact CG1-CD1 3.49Å; V421-Y735 HydrophobicContact CG1-CE1 3.57Å; Q567-Y735 HydrophobicContact CG-CD2 4.37Å; Q567-Y735 HydrophobicContact CG-CE2 3.67Å; Q567-Y735 PolarHBondContact NE2-OH 3Å; V568-Y735 PolarHBondContact N-O 2.74Å; V568-Y735 WeakPolarHBondContact O-CD2 3.42Å; V568-Y735 VanDerWaalsContact O-CE2 3.24Å; V568-Y735 WeakPolarHBondContact O-CE2 3.38Å; F571-Y735 HydrophobicContact CD2-CE1 4.46Å; F571-Y735 AromaticContact CD2-CE2 3.85Å; F571-Y735 HydrophobicContact CD2-CE2 3.85Å; F571-Y735 AromaticContact CD2-CZ 3.76Å; F571-Y735 HydrophobicContact CE2-CD1 4.24Å; F571-Y735 HydrophobicContact CE2-CD2 4.14Å; F571-Y735 AromaticContact CE2-CE1 3.78Å; F571-Y735 HydrophobicContact CE2-CE1 3.78Å; F571-Y735 AromaticContact CE2-CE2 3.71Å; F571-Y735 HydrophobicContact CE2-CE2 3.71Å; F571-Y735 HydrophobicContact CE2-CG 4.4Å; F571-Y735 AromaticContact CE2-CZ 3.5Å; I693-Y735 PolarHBondContact O-N 3.35Å; Y705-Y735 HydrophobicContact CE1-CD1 4.03Å
736I97.8Very high88.4Confident1 Ų161.3 Ų61.31%0.00528%0.279CS..EExtended strand (participates in β ladder)trans-112.9137.4173.5-51.8-59.2000109.4V421 E422 M425 W565 I566 Q567 F692 I693V421-I736 HydrophobicContact CG1-CD1 4.23Å; V421-I736 HydrophobicContact CG1-CG1 3.55Å; E422-I736 HydrophobicContact CB-CD1 4.09Å; E422-I736 HydrophobicContact CG-CD1 4.41Å; M425-I736 HydrophobicContact CE-CG2 4.13Å; M425-I736 HydrophobicContact SD-CG1 4.32Å; M425-I736 HydrophobicContact SD-CG2 3.98Å; W565-I736 HydrophobicContact CE3-CG2 3.83Å; W565-I736 HydrophobicContact CZ3-CG2 4.33Å; I566-I736 CarbonylContact O-C 3.58Å; I566-I736 VanDerWaalsContact O-CA 3.32Å; I566-I736 WeakPolarHBondContact O-CA 3.18Å; Q567-I736 HydrophobicContact CB-CD1 3.61Å; Q567-I736 HydrophobicContact CG-CD1 3.7Å; F692-I736 CarbonylContact C-O 3.6Å; F692-I736 WeakPolarHBondContact CA-O 3.47Å; F692-I736 WeakPolarHBondContact CB-O 3.38Å; I693-I736 HydrophobicContact CB-CB 4.2Å; I693-I736 HydrophobicContact CD1-CB 4.49Å; I693-I736 PolarHBondContact N-O 2.74Å; I693-I736 PolarHBondContact O-N 3.34Å; I693-I736 VanDerWaalsContact O-N 3.12Å
737Y98.4Very high88.3Confident0 Ų064.2 Ų64.20%029%0.291CS..EExtended strand (participates in β ladder)trans-121143176.3-60.5-90.8000110.5W565 I566 V568 I588 L689 F692 N731 G734W565-Y737 WeakPolarHBondContact CA-O 3.43Å; I566-Y737 PolarHBondContact N-O 3.32Å; I566-Y737 PolarHBondContact O-N 3.1Å; V568-Y737 HydrophobicContact CG2-CD2 4.09Å; V568-Y737 HydrophobicContact CG2-CE2 3.69Å; I588-Y737 HydrophobicContact CB-CE1 4.28Å; I588-Y737 HydrophobicContact CD1-CD1 4.14Å; I588-Y737 HydrophobicContact CD1-CD2 4.28Å; I588-Y737 HydrophobicContact CD1-CE1 3.61Å; I588-Y737 HydrophobicContact CD1-CE2 3.74Å; I588-Y737 HydrophobicContact CD1-CG 4.45Å; I588-Y737 WeakPolarHBondContact CD1-OH 3.43Å; I588-Y737 HydrophobicContact CG1-CD1 4.21Å; I588-Y737 HydrophobicContact CG1-CE1 3.44Å; I588-Y737 VanDerWaalsContact CG1-CE1 3.44Å; I588-Y737 HydrophobicContact CG1-CE2 4.41Å; I588-Y737 WeakPolarHBondContact CG1-OH 3.43Å; I588-Y737 HydrophobicContact CG2-CD1 4.03Å; I588-Y737 HydrophobicContact CG2-CE1 4.01Å; L689-Y737 HydrophobicContact CD1-CD1 4.05Å; F692-Y737 HydrophobicContact CB-CD1 3.54Å; F692-Y737 HydrophobicContact CB-CE1 3.79Å; F692-Y737 HydrophobicContact CB-CG 4.3Å; F692-Y737 HydrophobicContact CG-CD1 4.4Å; F692-Y737 HydrophobicContact CG-CE1 4.28Å; N731-Y737 WeakPolarHBondContact O-CE1 3.47Å; N731-Y737 VanDerWaalsContact O-CZ 3.31Å; N731-Y737 PolarHBondContact O-OH 3.05Å; G734-Y737 VanDerWaalsContact CA-OH 3.23Å; G734-Y737 WeakPolarHBondContact CA-OH 3.44Å; G734-Y737 PolarHBondContact N-OH 2.98Å; G734-Y737 PolarHBondContact O-OH 3.15Å; G734-Y737 VanDerWaalsContact O-OH 3.11Å
738L98.2Very high88.4Confident1 Ų161.1 Ų61.11%0.00528%0.277CS..EExtended strand (participates in β ladder)trans-116.9119.3177.1-179.560.1000109.5L330 W563 W565 R690 G691L330-L738 HydrophobicContact CD2-CD2 4.23Å; W563-L738 HydrophobicContact CB-CD1 4.37Å; W563-L738 HydrophobicContact CE3-CD1 3.61Å; W563-L738 HydrophobicContact CE3-CD2 3.96Å; W563-L738 HydrophobicContact CE3-CG 3.73Å; W563-L738 HydrophobicContact CZ3-CD1 4.33Å; W563-L738 HydrophobicContact CZ3-CD2 3.87Å; W563-L738 HydrophobicContact CZ3-CG 3.94Å; W565-L738 HydrophobicContact CD2-CD1 3.67Å; W565-L738 HydrophobicContact CE3-CB 4.02Å; W565-L738 HydrophobicContact CE3-CD1 3.76Å; W565-L738 HydrophobicContact CE3-CG 4.39Å; W565-L738 HydrophobicContact CG-CD1 4.38Å; W565-L738 HydrophobicContact CH2-CB 4.37Å; W565-L738 HydrophobicContact CH2-CD1 3.85Å; W565-L738 HydrophobicContact CH2-CD2 3.8Å; W565-L738 HydrophobicContact CH2-CG 4.22Å; W565-L738 HydrophobicContact CZ2-CD1 3.71Å; W565-L738 HydrophobicContact CZ2-CD2 4.23Å; W565-L738 HydrophobicContact CZ3-CB 3.83Å; W565-L738 HydrophobicContact CZ3-CD1 3.87Å; W565-L738 HydrophobicContact CZ3-CD2 4.11Å; W565-L738 HydrophobicContact CZ3-CG 4.15Å; R690-L738 PolarHBondContact N-O 3.21Å; G691-L738 PolarHBondContact N-O 2.85Å; G691-L738 PolarHBondContact O-N 3.07Å
739Y98.1Very high88.4Confident0 Ų056.1 Ų56.10%026%0.255CS..EExtended strand (participates in β ladder)trans-115.9137.6-179.5-86.4-86.9000110.7L524 W563 L564 I566 I588 P589 L592 Q688 L689L524-Y739 HydrophobicContact CD2-CE2 4.35Å; W563-Y739 CarbonylContact C-O 3.47Å; W563-Y739 VanDerWaalsContact CA-O 3.29Å; W563-Y739 WeakPolarHBondContact CA-O 3.12Å; L564-Y739 PolarHBondContact N-O 3.21Å; L564-Y739 PolarHBondContact O-N 3.37Å; I566-Y739 HydrophobicContact CD1-CD2 3.86Å; I566-Y739 HydrophobicContact CD1-CE2 4.02Å; I566-Y739 HydrophobicContact CG1-CD2 4.47Å; I588-Y739 WeakPolarHBondContact CG2-OH 3.45Å; P589-Y739 PolarHBondContact O-OH 3.35Å; L592-Y739 HydrophobicContact CB-CD1 4.01Å; L592-Y739 HydrophobicContact CB-CE1 3.58Å; L592-Y739 HydrophobicContact CD2-CD1 4.38Å; L592-Y739 HydrophobicContact CD2-CD2 4.38Å; L592-Y739 HydrophobicContact CD2-CE1 4.21Å; L592-Y739 HydrophobicContact CD2-CE2 4.19Å; L592-Y739 HydrophobicContact CD2-CG 4.47Å; Q688-Y739 VanDerWaalsContact C-CD1 3.43Å; Q688-Y739 CarbonylContact O-C 3.41Å; Q688-Y739 WeakPolarHBondContact O-CA 3.35Å; L689-Y739 HydrophobicContact CB-CD1 4.23Å; L689-Y739 HydrophobicContact CB-CE1 3.71Å; L689-Y739 HydrophobicContact CD1-CD2 4.18Å; L689-Y739 HydrophobicContact CD1-CE1 4.23Å; L689-Y739 HydrophobicContact CD1-CE2 3.72Å
740E97.3Very high88.3Confident54 Ų5457.7 Ų57.725%0.25226%0.259SS..EExtended strand (participates in β ladder)trans-105.9132.9174.6175.5179.1-156.200109.7W563 Y687 Q688 R690 L742W563-E740 HydrophobicContact CD2-CB 4.39Å; W563-E740 HydrophobicContact CE3-CB 4.07Å; W563-E740 HydrophobicContact CH2-CB 3.93Å; W563-E740 HydrophobicContact CH2-CG 4.12Å; W563-E740 HydrophobicContact CZ2-CB 4.18Å; W563-E740 HydrophobicContact CZ2-CG 3.93Å; W563-E740 HydrophobicContact CZ3-CB 3.87Å; Y687-E740 CarbonylContact C-O 3.58Å; Y687-E740 VanDerWaalsContact CA-O 3.23Å; Y687-E740 WeakPolarHBondContact CA-O 3.39Å; Q688-E740 PolarHBondContact N-O 3.38Å; Q688-E740 PolarHBondContact O-N 3.15Å; R690-E740 WeakPolarHBondContact CD-OE2 3.38Å; R690-E740 HydrophobicContact CG-CB 3.39Å; R690-E740 IonicContact CZ-OE2 3.82Å; R690-E740 IonicContact NE-OE2 3.92Å; R690-E740 IonicContact NH1-OE2 2.74Å; R690-E740 PolarHBondContact NH1-OE2 3.23Å; E740-L742 PolarHBondContact O-N 2.95Å
741R97Very high88.2Confident21 Ų2160.8 Ų60.88%0.07927%0.271CS..EExtended strand (participates in β ladder)trans-68126.7179.3-164.9-151.8-48.5-93.99.3110.5F560 P561 D562 S681 S684 Y687 R743F560-R741 VanDerWaalsContact C-NH1 3.28Å; F560-R741 PolarHBondContact O-NH1 3.08Å; F560-R741 PolarHBondContact O-NH2 2.78Å; P561-R741 VanDerWaalsContact C-CZ 3.42Å; P561-R741 PolarHBondContact O-NE 3.1Å; P561-R741 PolarHBondContact O-NH1 3.21Å; P561-R741 PolarHBondContact O-NH2 3.06Å; P561-R741 VanDerWaalsContact O-NH2 3.08Å; D562-R741 VanDerWaalsContact N-NH2 3.14Å; D562-R741 WeakPolarHBondContact O-CB 3.17Å; D562-R741 PolarHBondContact O-N 3.37Å; D562-R741 IonicContact OD1-CZ 2.74Å; D562-R741 IonicContact OD1-NE 2.91Å; D562-R741 PolarHBondContact OD1-NE 2.99Å; D562-R741 VanDerWaalsContact OD1-NE 3.1Å; D562-R741 IonicContact OD1-NH2 3.03Å; D562-R741 PolarHBondContact OD1-NH2 3.24Å; S681-R741 PolarHBondContact OG-NH2 3.31Å; S684-R741 WeakPolarHBondContact O-CD 2.99Å; S684-R741 VanDerWaalsContact O-CG 3.3Å; S684-R741 WeakPolarHBondContact O-CG 3.43Å; S684-R741 PolarHBondContact O-NH1 3.37Å; S684-R741 WeakPolarHBondContact OG-CD 3.47Å; Y687-R741 HydrophobicContact CD1-CB 4.01Å; Y687-R741 HydrophobicContact CE1-CB 3.72Å; Y687-R741 HydrophobicContact CE1-CG 4.16Å; R741-R743 PolarHBondContact O-N 3.29Å
742L93.9Very high87.9Confident58 Ų5861.9 Ų61.930%0.30427%0.274SS..PPolyproline II helixtrans-73.8121.2170.8-65.8179.5000109.7I591 S684 V686 Q688 E740 R744I591-L742 HydrophobicContact CD1-CD1 3.99Å; I591-L742 HydrophobicContact CG2-CD1 4.42Å; S684-L742 PolarHBondContact OG-O 3.26Å; V686-L742 HydrophobicContact CG1-CD1 4.03Å; V686-L742 PolarHBondContact O-N 3.29Å; Q688-L742 HydrophobicContact CB-CD1 4.48Å; Q688-L742 HydrophobicContact CB-CD2 3.87Å; Q688-L742 HydrophobicContact CB-CG 4.18Å; E740-L742 PolarHBondContact O-N 2.95Å; L742-R744 PolarHBondContact O-N 3.35Å
743R80Confident87.6Confident232 Ų23263.2 Ų63.288%0.87528%0.278SS*.PPolyproline II helixtrans-67.9125.9167.6-65.6-175.6177.3179-0.2107.5R741 D745R741-R743 PolarHBondContact O-N 3.29Å; R743-D745 PolarHBondContact O-N 3.49Å
744R60.8Low87.4Confident194 Ų19467.2 Ų67.273%0.73230%0.296SS*.PPolyproline II helixtrans-69124.2163.6-73.9-175.6177.9172.60.1106.4L742L742-R744 PolarHBondContact O-N 3.35Å
745D39.2Very low86.9Confident236 Ų23673.3 Ų73.3100%1.26232%0.323SS*.  trans-54.80168.7-70.2-35000111.9R743R743-D745 PolarHBondContact O-N 3.49Å

Retrieved 745 of 745 residues in 713.3 ms (Link to these results)

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