A0A077Z7N6_TRITR Loading...

Mannose 1 phosphate guanyltransferase alpha A

AlphaFold DB , UniProt , Accession A0A077Z7N6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 433 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
1M37.3Very low43.7Very low227 Ų227113.5 Ų113.5100%1.11869%0.687SS**  0860-170.5174165.100107.2V3M1-V3 PolarHBondContact O-N 3.21Å
2V32.8Very low47.5Very low130 Ų130107.1 Ų107.179%0.78865%0.648SS**  trans-81.8106.9175.8177.30000105.6I4V2-I4 VanDerWaalsContact C-N 3.32Å; V2-I4 HydrophobicContact CG1-CG1 4.48Å; V2-I4 PolarHBondContact O-N 2.91Å
3V32Very low51Low105 Ų10598.8 Ų98.864%0.63660%0.598SS**  trans-67.9100.2169.6-177.90000105.6M1 T5M1-V3 PolarHBondContact O-N 3.21Å; V3-T5 HydrophobicContact CG1-CG2 3.98Å; V3-T5 PolarHBondContact O-N 3.26Å
4I31.7Very low54.3Low129 Ų12992.5 Ų92.566%0.66256%0.559SS**  trans-70.282.5167.1-50.7173.9000105.1V2 N6V2-I4 VanDerWaalsContact C-N 3.32Å; V2-I4 HydrophobicContact CG1-CG1 4.48Å; V2-I4 PolarHBondContact O-N 2.91Å; I4-N6 VanDerWaalsContact CG2-OD1 3.27Å; I4-N6 WeakPolarHBondContact CG2-OD1 2.79Å; I4-N6 PolarHBondContact O-N 2.95Å
5T34.4Very low57.2Low116 Ų11686.3 Ų86.371%0.71252%0.521SS*.  trans-64.885.3153.151.20000104.7V3 G7V3-T5 HydrophobicContact CG1-CG2 3.98Å; V3-T5 PolarHBondContact O-N 3.26Å; T5-G7 PolarHBondContact O-N 3.24Å
6N34.4Very low59.8Low133 Ų13380.9 Ų80.971%0.71149%0.489SS*.  trans-51.5102.4161.4-88.8-22.3000104.6I4 L8I4-N6 VanDerWaalsContact CG2-OD1 3.27Å; I4-N6 WeakPolarHBondContact CG2-OD1 2.79Å; I4-N6 PolarHBondContact O-N 2.95Å; N6-L8 PolarHBondContact O-N 3.25Å
7G32.9Very low62Low73 Ų7376.2 Ų76.275%0.75346%0.46SS*.  trans-61.785.8170.300000105.8T5 A9T5-G7 PolarHBondContact O-N 3.24Å; G7-A9 PolarHBondContact O-N 3.27Å
8L43.9Very low64Low132 Ų13273 Ų7369%0.69144%0.44SS*.  trans-54.496.7149.6-78.7156.6000102.7N6 S10N6-L8 PolarHBondContact O-N 3.25Å; L8-S10 PolarHBondContact O-N 2.8Å
9A52.7Low65.6Low85 Ų8569.6 Ų69.670%0.70242%0.419SS*.  trans-43.5117.3165.700000104.9G7 D11G7-A9 PolarHBondContact O-N 3.27Å; A9-D11 PolarHBondContact O-N 3.25Å
10S68.2Low66.9Low92 Ų9267.3 Ų67.364%0.64341%0.41SS*.  trans-56115.7-17455.90000106.7L8 V12L8-S10 PolarHBondContact O-N 2.8Å; S10-V12 PolarHBondContact O-N 3.25Å
11D80.2Confident68Low27 Ų2764.3 Ų64.314%0.14439%0.393CS..  trans-53129.8-176.4-64.7-48.8000108.5A9 N120 Y139 R147A9-D11 PolarHBondContact O-N 3.25Å; D11-N120 VanDerWaalsContact CA-OD1 3.31Å; D11-N120 WeakPolarHBondContact CA-OD1 3.48Å; D11-N120 HydrophobicContact CB-CB 4.14Å; D11-N120 PolarHBondContact OD1-ND2 2.94Å; D11-Y139 WeakPolarHBondContact CB-OH 3.46Å; D11-Y139 PolarHBondContact OD2-OH 3.5Å; D11-R147 IonicContact OD1-NH2 3.55Å; D11-R147 PolarHBondContact OD1-NH2 3.02Å; D11-R147 IonicContact OD2-NH2 3.07Å
12V89.5Confident70.1Confident36 Ų3656.7 Ų56.722%0.21836%0.361CS..  trans-88.2116.9177178.70000107.5S10 K62 N120S10-V12 PolarHBondContact O-N 3.25Å; V12-K62 HydrophobicContact CG1-CB 4.47Å; V12-K62 HydrophobicContact CG1-CG 4.04Å; V12-N120 PolarHBondContact N-OD1 3.35Å; V12-N120 PolarHBondContact O-N 2.81Å
13L93.4Very high72.3Confident0 Ų057 Ų570%035%0.353CS..EExtended strand (participates in β ladder)trans-111.4150.3178.2-58.1177.9000111.6V58 P59 G60 L61 K62 A121 F123 Y139L13-V58 HydrophobicContact CD1-CG1 3.81Å; L13-P59 WeakPolarHBondContact CD1-O 3.45Å; L13-G60 PolarHBondContact N-O 2.82Å; L13-L61 HydrophobicContact CB-CD1 4.22Å; L13-L61 WeakPolarHBondContact O-CA 3.11Å; L13-K62 PolarHBondContact O-N 3.5Å; L13-A121 WeakPolarHBondContact CA-O 3.35Å; L13-A121 HydrophobicContact CD2-CB 3.91Å; L13-A121 WeakPolarHBondContact CD2-O 3.37Å; L13-F123 HydrophobicContact CD1-CE2 4.44Å; L13-Y139 HydrophobicContact CD1-CD1 3.87Å; L13-Y139 HydrophobicContact CD1-CD2 3.85Å; L13-Y139 HydrophobicContact CD1-CE1 3.69Å; L13-Y139 HydrophobicContact CD1-CE2 3.72Å; L13-Y139 HydrophobicContact CD1-CG 3.97Å; L13-Y139 HydrophobicContact CD2-CD2 4.19Å; L13-Y139 HydrophobicContact CD2-CE2 3.46Å; L13-Y139 VanDerWaalsContact CD2-CE2 3.46Å; L13-Y139 HydrophobicContact CG-CE1 4.49Å; L13-Y139 HydrophobicContact CG-CE2 4.16Å
14K96.6Very high74.2Confident10 Ų1058.6 Ų58.64%0.04335%0.352CS..EExtended strand (participates in β ladder)trans-131.2172.6169.5-65.6-173-173.3-170.10111.2L61 E63 Q113 I114 L116 L119 A121 F122 F123K14-L61 VanDerWaalsContact C-CD1 3.45Å; K14-E63 CarbonylContact C-O 3.57Å; K14-E63 VanDerWaalsContact CA-O 3.27Å; K14-E63 WeakPolarHBondContact CA-O 3.35Å; K14-E63 HydrophobicContact CD-CB 4.07Å; K14-E63 WeakPolarHBondContact CD-OE2 3.17Å; K14-E63 WeakPolarHBondContact CE-OE2 3.49Å; K14-E63 HydrophobicContact CG-CB 3.96Å; K14-E63 IonicContact NZ-OE2 3.17Å; K14-E63 PolarHBondContact NZ-OE2 3.37Å; K14-Q113 PolarHBondContact NZ-O 3.39Å; K14-Q113 VanDerWaalsContact NZ-O 3.16Å; K14-I114 VanDerWaalsContact CD-O 3.26Å; K14-I114 WeakPolarHBondContact CD-O 3.41Å; K14-I114 WeakPolarHBondContact CE-O 3.4Å; K14-I114 PolarHBondContact NZ-O 2.46Å; K14-L116 WeakPolarHBondContact CE-O 3.31Å; K14-L116 PolarHBondContact NZ-O 3.44Å; K14-L119 HydrophobicContact CB-CD1 3.71Å; K14-L119 HydrophobicContact CD-CD1 3.99Å; K14-L119 HydrophobicContact CG-CD1 3.57Å; K14-A121 PolarHBondContact N-O 2.85Å; K14-F122 HydrophobicContact CB-CB 4.2Å; K14-F122 CarbonylContact O-C 3.56Å; K14-F122 WeakPolarHBondContact O-CA 3.46Å; K14-F122 WeakPolarHBondContact O-CB 3.26Å; K14-F123 PolarHBondContact O-N 2.91Å
15A97.8Very high76Confident0 Ų053.6 Ų53.60%033%0.332CS..EExtended strand (participates in β ladder)trans-139.4149.9170.800000111.4L55 L61 E63 I64 L65 F123A15-L55 HydrophobicContact CB-CD1 3.65Å; A15-L55 HydrophobicContact CB-CD2 3.38Å; A15-L55 HydrophobicContact CB-CG 4.12Å; A15-L61 HydrophobicContact CB-CD1 4.06Å; A15-E63 PolarHBondContact N-O 3.15Å; A15-I64 HydrophobicContact CB-CG1 4.36Å; A15-I64 CarbonylContact O-C 3.6Å; A15-I64 WeakPolarHBondContact O-CA 3.27Å; A15-L65 PolarHBondContact O-N 3.04Å; A15-F123 CarbonylContact C-O 3.59Å; A15-F123 VanDerWaalsContact CA-O 3.31Å; A15-F123 WeakPolarHBondContact CA-O 3.33Å; A15-F123 HydrophobicContact CB-CB 3.94Å
16V98.4Very high78Confident0 Ų052.1 Ų52.10%032%0.323CS..EExtended strand (participates in β ladder)trans-119.1125.7170-1760000108.5L65 V67 I107 I114 F122 F123 V124 L125V16-L65 CarbonylContact C-O 3.5Å; V16-L65 VanDerWaalsContact CA-O 3.26Å; V16-L65 WeakPolarHBondContact CA-O 3.41Å; V16-L65 HydrophobicContact CG2-CB 4.37Å; V16-V67 HydrophobicContact CG1-CB 3.86Å; V16-V67 HydrophobicContact CG1-CG2 3.44Å; V16-V67 VanDerWaalsContact CG1-CG2 3.44Å; V16-I107 HydrophobicContact CB-CD1 3.9Å; V16-I107 HydrophobicContact CG1-CD1 3.38Å; V16-I107 HydrophobicContact CG2-CD1 4.23Å; V16-I114 HydrophobicContact CG2-CD1 3.92Å; V16-I114 HydrophobicContact CG2-CG1 4.07Å; V16-F122 HydrophobicContact CG2-CD2 4.14Å; V16-F122 HydrophobicContact CG2-CE2 4.46Å; V16-F123 PolarHBondContact N-O 3.17Å; V16-V124 HydrophobicContact CB-CG2 4.39Å; V16-V124 CarbonylContact O-C 3.5Å; V16-V124 VanDerWaalsContact O-CA 3.27Å; V16-V124 WeakPolarHBondContact O-CA 3.33Å; V16-L125 PolarHBondContact O-N 2.97Å
17I98.2Very high80.3Confident0 Ų053.9 Ų53.90%032%0.32CS..EExtended strand (participates in β ladder)trans-103.6114.2170-55.8175.2000107.3I19 I48 H51 I52 L55 I64 L65 L66 V67 L125 A127I17-I19 HydrophobicContact CB-CG2 4.48Å; I17-I19 HydrophobicContact CG2-CG2 3.96Å; I17-I19 PolarHBondContact O-N 3.1Å; I17-I48 HydrophobicContact CG2-CG2 4.23Å; I17-H51 HydrophobicContact CD1-CB 3.74Å; I17-I52 HydrophobicContact CD1-CG1 3.92Å; I17-L55 HydrophobicContact CD1-CD1 3.89Å; I17-L55 HydrophobicContact CG1-CD1 4Å; I17-I64 HydrophobicContact CD1-CG2 3.81Å; I17-I64 HydrophobicContact CG1-CG2 4.09Å; I17-L65 PolarHBondContact N-O 3.27Å; I17-L66 HydrophobicContact CB-CD2 3.87Å; I17-L66 HydrophobicContact CD1-CD2 3.79Å; I17-L66 HydrophobicContact CG1-CD2 4.22Å; I17-V67 PolarHBondContact O-N 2.73Å; I17-L125 CarbonylContact C-O 3.56Å; I17-L125 WeakPolarHBondContact CA-O 3.47Å; I17-A127 HydrophobicContact CG2-CB 4.01Å
18I97.1Very high83Confident19 Ų1950.5 Ų50.510%0.09728%0.284CS..EExtended strand (participates in β ladder)trans-78.6103.8176.4-59.4163.8000107.6V67 T103 I107 V124 L125 A127 F234I18-V67 CarbonylContact C-O 3.51Å; I18-V67 WeakPolarHBondContact CA-O 3.35Å; I18-T103 WeakPolarHBondContact CD1-O 3.44Å; I18-I107 HydrophobicContact CD1-CD1 4.34Å; I18-I107 HydrophobicContact CD1-CG1 4.48Å; I18-I107 HydrophobicContact CG1-CD1 4.17Å; I18-V124 HydrophobicContact CD1-CG1 3.47Å; I18-V124 VanDerWaalsContact CD1-CG1 3.47Å; I18-V124 HydrophobicContact CG1-CG1 4.04Å; I18-L125 PolarHBondContact N-O 3.05Å; I18-A127 VanDerWaalsContact O-CB 3.27Å; I18-A127 WeakPolarHBondContact O-CB 3.38Å; I18-A127 PolarHBondContact O-N 3.43Å; I18-F234 HydrophobicContact CD1-CE2 4.26Å
19I95.2Very high85.1Confident8 Ų849.2 Ų49.24%0.04127%0.27CS..EExtended strand (participates in β ladder)trans-90.3-12.5-174.768.6166000113.3I17 P38 I48 L66 V67 Y70 L76 Y94 A127I17-I19 HydrophobicContact CB-CG2 4.48Å; I17-I19 HydrophobicContact CG2-CG2 3.96Å; I17-I19 PolarHBondContact O-N 3.1Å; I19-P38 HydrophobicContact CB-CB 4.21Å; I19-P38 HydrophobicContact CB-CG 3.8Å; I19-P38 HydrophobicContact CG2-CB 4.39Å; I19-P38 WeakPolarHBondContact O-CG 3.47Å; I19-I48 HydrophobicContact CG2-CG2 4.44Å; I19-L66 HydrophobicContact CD1-CB 4.48Å; I19-L66 HydrophobicContact CG2-CB 4.2Å; I19-L66 HydrophobicContact CG2-CD2 4.49Å; I19-V67 WeakPolarHBondContact CG1-O 3.4Å; I19-V67 PolarHBondContact N-O 2.6Å; I19-Y70 HydrophobicContact CD1-CD2 3.7Å; I19-Y70 HydrophobicContact CD1-CE2 4.16Å; I19-Y70 HydrophobicContact CG1-CD2 4.04Å; I19-Y70 HydrophobicContact CG1-CE2 4.17Å; I19-L76 HydrophobicContact CD1-CD1 4.23Å; I19-L76 HydrophobicContact CD1-CD2 4.18Å; I19-Y94 HydrophobicContact CD1-CD2 3.93Å; I19-Y94 HydrophobicContact CD1-CE2 3.6Å; I19-Y94 HydrophobicContact CG1-CE2 4.37Å; I19-A127 HydrophobicContact CB-CB 4.37Å; I19-A127 HydrophobicContact CG2-CB 4.19Å
20G91.3Very high86.9Confident24 Ų2445.6 Ų45.625%0.24724%0.239CC..EExtended strand (participates in β ladder)trans75.4-145.2179.200000112.9G68 F69 Y70G20-G68 CarbonylContact O-C 3.5Å; G20-G68 VanDerWaalsContact O-CA 3.24Å; G20-G68 WeakPolarHBondContact O-CA 3.48Å; G20-F69 PolarHBondContact O-N 3.38Å; G20-Y70 WeakPolarHBondContact O-CE2 3.32Å
21G89Confident88Confident5 Ų541.8 Ų41.85%0.05221%0.212CC..  trans-157.8171.9-178.700000112.8Q23 K24 F69G21-Q23 PolarHBondContact O-N 3.02Å; G21-Q23 VanDerWaalsContact O-N 3.12Å; G21-K24 WeakPolarHBondContact O-CB 3.41Å; G21-K24 PolarHBondContact O-N 3.13Å; G21-F69 VanDerWaalsContact CA-O 3.31Å; G21-F69 WeakPolarHBondContact CA-O 3.46Å
22P83.1Confident88.4Confident67 Ų6741.2 Ų41.244%0.43521%0.21SC..THydrogen-bonded Turntrans-66.5-19.3-169.728-35.3000113.9K24 R29 F69 Y70P22-K24 VanDerWaalsContact C-N 3.32Å; P22-R29 PolarHBondContact O-NH2 3.4Å; P22-F69 WeakPolarHBondContact CD-O 3.45Å; P22-Y70 HydrophobicContact CB-CE1 4.22Å
23Q77.7Confident88.3Confident135 Ų13543.2 Ų43.263%0.63122%0.219SC*.THydrogen-bonded Turntrans-79.4-14.6175.6-59.7-177.39.900112.9G21G21-Q23 PolarHBondContact O-N 3.02Å; G21-Q23 VanDerWaalsContact O-N 3.12Å
24K71.7Confident87.8Confident139 Ų13948.1 Ų48.160%0.60425%0.245SC*.SBendtrans-86.5160.7177.3-59.9-65.5-175.6-177.70110.7G21 P22G21-K24 WeakPolarHBondContact O-CB 3.41Å; G21-K24 PolarHBondContact O-N 3.13Å; P22-K24 VanDerWaalsContact C-N 3.32Å
25G69.5Low87.4Confident24 Ų2449.9 Ų49.925%0.24725%0.252CS..  trans75.232.217200000115.3R27 F28G25-R27 PolarHBondContact O-N 2.97Å; G25-R27 VanDerWaalsContact O-N 3.08Å; G25-F28 WeakPolarHBondContact O-CA 3.45Å; G25-F28 VanDerWaalsContact O-CB 3.24Å; G25-F28 WeakPolarHBondContact O-CB 2.97Å; G25-F28 PolarHBondContact O-N 3.04Å
26T77.7Confident87.2Confident85 Ų8550.3 Ų50.352%0.52126%0.255SS..G310 helixtrans-53.3-31.6179.354.20000114.1F28 R29T26-F28 PolarHBondContact O-N 2.63Å; T26-R29 WeakPolarHBondContact O-CB 3.32Å; T26-R29 PolarHBondContact O-N 3.35Å
27R82.7Confident86.9Confident171 Ų17151.4 Ų51.465%0.64526%0.26SS*.G310 helixtrans-71.9-9.5175.5-57.1-177.3-167.5-1791.2114.5G25 K261 T262G25-R27 PolarHBondContact O-N 2.97Å; G25-R27 VanDerWaalsContact O-N 3.08Å; R27-K261 CarbonylContact C-O 3.59Å; R27-T262 HydrophobicContact CB-CG2 4.32Å
28F88.4Confident86.8Confident2 Ų251.7 Ų51.71%0.00926%0.261CS..G310 helixtrans-96.5-1.5175-154.9-98000111.7G25 T26 L31 S32 K37 F40 L260 T262 A266G25-F28 WeakPolarHBondContact O-CA 3.45Å; G25-F28 VanDerWaalsContact O-CB 3.24Å; G25-F28 WeakPolarHBondContact O-CB 2.97Å; G25-F28 PolarHBondContact O-N 3.04Å; T26-F28 PolarHBondContact O-N 2.63Å; F28-L31 HydrophobicContact CD1-CB 3.93Å; F28-L31 HydrophobicContact CE1-CB 3.8Å; F28-L31 HydrophobicContact CE1-CD1 4.21Å; F28-L31 HydrophobicContact CZ-CD1 4.27Å; F28-L31 VanDerWaalsContact O-CB 3.31Å; F28-L31 WeakPolarHBondContact O-CB 3.37Å; F28-L31 PolarHBondContact O-N 3.43Å; F28-L31 VanDerWaalsContact O-N 3.1Å; F28-S32 PolarHBondContact O-OG 3.49Å; F28-K37 HydrophobicContact CB-CD 4.26Å; F28-K37 HydrophobicContact CD1-CD 4.3Å; F28-K37 HydrophobicContact CD1-CG 3.9Å; F28-K37 HydrophobicContact CE1-CG 4.2Å; F28-K37 HydrophobicContact CG-CD 4.2Å; F28-K37 HydrophobicContact CG-CG 4.27Å; F28-F40 HydrophobicContact CE1-CB 3.98Å; F28-F40 HydrophobicContact CE1-CD1 4.11Å; F28-F40 AromaticContact CE1-CD2 3.63Å; F28-F40 HydrophobicContact CE1-CD2 3.63Å; F28-F40 HydrophobicContact CE1-CE2 4.13Å; F28-F40 AromaticContact CE1-CG 3.62Å; F28-F40 HydrophobicContact CE1-CG 3.62Å; F28-F40 HydrophobicContact CZ-CB 4.26Å; F28-F40 AromaticContact CZ-CD1 3.68Å; F28-F40 HydrophobicContact CZ-CD1 3.68Å; F28-F40 HydrophobicContact CZ-CD2 4Å; F28-F40 AromaticContact CZ-CE1 3.98Å; F28-F40 HydrophobicContact CZ-CE1 3.98Å; F28-F40 HydrophobicContact CZ-CE2 4.27Å; F28-F40 AromaticContact CZ-CG 3.69Å; F28-F40 HydrophobicContact CZ-CG 3.69Å; F28-F40 HydrophobicContact CZ-CZ 4.27Å; F28-L260 HydrophobicContact CE2-CD1 3.87Å; F28-L260 HydrophobicContact CE2-CG 4Å; F28-L260 HydrophobicContact CZ-CD1 4.41Å; F28-L260 HydrophobicContact CZ-CG 4.48Å; F28-T262 WeakPolarHBondContact CE2-O 3.34Å; F28-A266 HydrophobicContact CE2-CB 4.11Å; F28-A266 HydrophobicContact CZ-CB 4.23Å
29R88.5Confident86.7Confident105 Ų10550.8 Ų50.840%0.39626%0.257SS..THydrogen-bonded Turntrans-74.1147.2173.4-65.3174.7180174.3-0.1109.6P22 T26 L33P22-R29 PolarHBondContact O-NH2 3.4Å; T26-R29 WeakPolarHBondContact O-CB 3.32Å; T26-R29 PolarHBondContact O-N 3.35Å; R29-L33 HydrophobicContact CB-CD2 4.44Å; R29-L33 HydrophobicContact CB-CG 4.35Å; R29-L33 HydrophobicContact CG-CD2 3.99Å; R29-L33 HydrophobicContact CG-CG 4.19Å
30P91.4Very high86.7Confident8 Ų850.5 Ų50.55%0.05226%0.255CS..THydrogen-bonded Turncis-81.9-5.29.231.8-36.1000115.8S32 L33 V399 I416 L418 P419P30-S32 PolarHBondContact O-N 3.28Å; P30-L33 HydrophobicContact CB-CD1 3.7Å; P30-L33 HydrophobicContact CB-CG 4.42Å; P30-L33 PolarHBondContact O-N 3.12Å; P30-L33 VanDerWaalsContact O-N 3.1Å; P30-V399 HydrophobicContact CG-CG1 4.01Å; P30-I416 VanDerWaalsContact CD-CG2 3.45Å; P30-I416 HydrophobicContact CG-CG2 4.07Å; P30-L418 HydrophobicContact CB-CD2 3.96Å; P30-L418 HydrophobicContact CG-CD2 4.26Å; P30-P419 HydrophobicContact CB-CG 4.29Å
31L91.3Very high87Confident12 Ų1250.3 Ų50.36%0.06325%0.25CC..THydrogen-bonded Turntrans-62.7-13.2-171.6-56.9173.3000115.6F28 F40 A263 V352 A354 V399F28-L31 HydrophobicContact CD1-CB 3.93Å; F28-L31 HydrophobicContact CE1-CB 3.8Å; F28-L31 HydrophobicContact CE1-CD1 4.21Å; F28-L31 HydrophobicContact CZ-CD1 4.27Å; F28-L31 VanDerWaalsContact O-CB 3.31Å; F28-L31 WeakPolarHBondContact O-CB 3.37Å; F28-L31 PolarHBondContact O-N 3.43Å; F28-L31 VanDerWaalsContact O-N 3.1Å; L31-F40 HydrophobicContact CB-CD2 4.18Å; L31-F40 HydrophobicContact CB-CE2 3.89Å; L31-F40 HydrophobicContact CD1-CE2 3.89Å; L31-F40 HydrophobicContact CD1-CZ 4.06Å; L31-F40 HydrophobicContact CD2-CE2 4.19Å; L31-F40 HydrophobicContact CG-CE2 4.21Å; L31-A263 HydrophobicContact CD1-CB 3.76Å; L31-V352 HydrophobicContact CD1-CB 4.21Å; L31-V352 HydrophobicContact CD1-CG1 3.82Å; L31-V352 HydrophobicContact CD1-CG2 4.35Å; L31-V352 HydrophobicContact CD2-CB 4.3Å; L31-V352 HydrophobicContact CD2-CG1 3.55Å; L31-V352 HydrophobicContact CG-CG1 4.34Å; L31-A354 HydrophobicContact CD2-CB 4.07Å; L31-V399 HydrophobicContact CD1-CG1 4.46Å; L31-V399 HydrophobicContact CD2-CG1 3.68Å; L31-V399 HydrophobicContact CG-CG1 3.98Å
32S88.4Confident87.4Confident15 Ų1550 Ų5011%0.10525%0.247CC..THydrogen-bonded Turntrans-124.317.8-178.649.60000113.3F28 P30 Y35F28-S32 PolarHBondContact O-OG 3.49Å; P30-S32 PolarHBondContact O-N 3.28Å; S32-Y35 WeakPolarHBondContact CA-O 3.29Å
33L86.8Confident88.1Confident78 Ų7846.9 Ų46.941%0.40823%0.226SC..SBendtrans-67.3-52.1175.7-75.4171.6000111.1R29 P30 P419R29-L33 HydrophobicContact CB-CD2 4.44Å; R29-L33 HydrophobicContact CB-CG 4.35Å; R29-L33 HydrophobicContact CG-CD2 3.99Å; R29-L33 HydrophobicContact CG-CG 4.19Å; P30-L33 HydrophobicContact CB-CD1 3.7Å; P30-L33 HydrophobicContact CB-CG 4.42Å; P30-L33 PolarHBondContact O-N 3.12Å; P30-L33 VanDerWaalsContact O-N 3.1Å; L33-P419 HydrophobicContact CD1-CG 3.96Å
34D83.3Confident89.1Confident104 Ų10441.4 Ų41.456%0.55621%0.207SC*.SBendtrans-110.16.6-170.9-42.3-31.8000112.2C402D34-C402 PolarHBondContact OD2-SG 3Å
35Y88.4Confident90.3Very high46 Ų4635.7 Ų35.718%0.1818%0.182CC..SBendtrans-143.9135.5-175-158.8-99.9000111.2S32 K37 L39 H75 R355S32-Y35 WeakPolarHBondContact CA-O 3.29Å; Y35-K37 PolarHBondContact O-N 3.4Å; Y35-K37 VanDerWaalsContact O-N 3.14Å; Y35-L39 HydrophobicContact CD1-CB 4.04Å; Y35-L39 HydrophobicContact CE1-CB 3.27Å; Y35-L39 HydrophobicContact CE1-CD1 4.4Å; Y35-L39 HydrophobicContact CE1-CG 4.47Å; Y35-L39 WeakPolarHBondContact CE1-O 3.47Å; Y35-H75 AromaticContact CD2-CD2 3.63Å; Y35-H75 AromaticContact CD2-CE1 3.87Å; Y35-H75 AromaticContact CD2-CG 3.83Å; Y35-H75 AromaticContact CD2-ND1 3.98Å; Y35-H75 AromaticContact CD2-NE2 3.64Å; Y35-H75 HydrophobicContact CE2-CB 4.05Å; Y35-H75 AromaticContact CE2-CD2 3.78Å; Y35-H75 AromaticContact CE2-CE1 3.62Å; Y35-H75 AromaticContact CE2-CG 3.47Å; Y35-H75 VanDerWaalsContact CE2-CG 3.47Å; Y35-H75 AromaticContact CE2-ND1 3.37Å; Y35-H75 WeakPolarHBondContact CE2-ND1 3.4Å; Y35-H75 AromaticContact CE2-NE2 3.85Å; Y35-R355 VanDerWaalsContact CB-NH1 3.31Å
36P92.1Very high91.6Very high9 Ų935.2 Ų35.26%0.05818%0.176CC..  trans-57.6121.5178-24.834.5000111.2P38 L39 F40 Y70 H75 L76P36-P38 VanDerWaalsContact C-N 3.31Å; P36-L39 HydrophobicContact CB-CB 4.46Å; P36-L39 HydrophobicContact CB-CD1 4.12Å; P36-L39 HydrophobicContact CB-CG 4.13Å; P36-L39 HydrophobicContact CG-CD1 4.08Å; P36-L39 WeakPolarHBondContact O-CA 3.36Å; P36-L39 WeakPolarHBondContact O-CB 3.45Å; P36-L39 PolarHBondContact O-N 3.41Å; P36-F40 PolarHBondContact O-N 3.41Å; P36-Y70 HydrophobicContact CB-CD1 4.16Å; P36-Y70 HydrophobicContact CB-CE1 3.83Å; P36-Y70 HydrophobicContact CG-CD1 4.29Å; P36-Y70 HydrophobicContact CG-CE1 4.35Å; P36-H75 HydrophobicContact CG-CB 4.39Å; P36-L76 HydrophobicContact CG-CG 4.32Å
37K93.3Very high92.5Very high24 Ų2431.2 Ų31.210%0.10415%0.152CC..G310 helixtrans-49.5-42.3177179.6-172173.2-157.60114F28 Y35 L39 F40 L260F28-K37 HydrophobicContact CB-CD 4.26Å; F28-K37 HydrophobicContact CD1-CD 4.3Å; F28-K37 HydrophobicContact CD1-CG 3.9Å; F28-K37 HydrophobicContact CE1-CG 4.2Å; F28-K37 HydrophobicContact CG-CD 4.2Å; F28-K37 HydrophobicContact CG-CG 4.27Å; Y35-K37 PolarHBondContact O-N 3.4Å; Y35-K37 VanDerWaalsContact O-N 3.14Å; K37-L39 PolarHBondContact O-N 3.13Å; K37-L39 VanDerWaalsContact O-N 3.11Å; K37-F40 WeakPolarHBondContact O-CB 3.35Å; K37-F40 PolarHBondContact O-N 3.24Å; K37-L260 WeakPolarHBondContact CE-O 3.3Å; K37-L260 PolarHBondContact NZ-O 3.3Å
38P94.8Very high93.2Very high5 Ų523 Ų233%0.03212%0.121CC..G310 helixtrans-58.1-24.3177.2-24.935.1000113.7I19 P36 S47 I48 Y70 A127I19-P38 HydrophobicContact CB-CB 4.21Å; I19-P38 HydrophobicContact CB-CG 3.8Å; I19-P38 HydrophobicContact CG2-CB 4.39Å; I19-P38 WeakPolarHBondContact O-CG 3.47Å; P36-P38 VanDerWaalsContact C-N 3.31Å; P38-S47 VanDerWaalsContact C-OG 3.3Å; P38-S47 PolarHBondContact O-N 3.49Å; P38-S47 PolarHBondContact O-OG 3.07Å; P38-I48 HydrophobicContact CB-CD1 4.15Å; P38-I48 HydrophobicContact CB-CG2 3.58Å; P38-I48 WeakPolarHBondContact O-CG1 3.42Å; P38-I48 PolarHBondContact O-N 2.89Å; P38-I48 VanDerWaalsContact O-N 3.12Å; P38-Y70 WeakPolarHBondContact CD-OH 3.31Å; P38-Y70 HydrophobicContact CG-CE2 4.07Å; P38-A127 HydrophobicContact CB-CB 4.21Å; P38-A127 HydrophobicContact CG-CB 4.38Å
39L95.6Very high93.7Very high1 Ų123.1 Ų23.11%0.00512%0.121CC..G310 helixtrans-91.5-4.4178-58.9-176.9000113.1Y35 P36 K37 P41 A46 I48 H75 L76 F79Y35-L39 HydrophobicContact CD1-CB 4.04Å; Y35-L39 HydrophobicContact CE1-CB 3.27Å; Y35-L39 HydrophobicContact CE1-CD1 4.4Å; Y35-L39 HydrophobicContact CE1-CG 4.47Å; Y35-L39 WeakPolarHBondContact CE1-O 3.47Å; P36-L39 HydrophobicContact CB-CB 4.46Å; P36-L39 HydrophobicContact CB-CD1 4.12Å; P36-L39 HydrophobicContact CB-CG 4.13Å; P36-L39 HydrophobicContact CG-CD1 4.08Å; P36-L39 WeakPolarHBondContact O-CA 3.36Å; P36-L39 WeakPolarHBondContact O-CB 3.45Å; P36-L39 PolarHBondContact O-N 3.41Å; K37-L39 PolarHBondContact O-N 3.13Å; K37-L39 VanDerWaalsContact O-N 3.11Å; L39-P41 WeakPolarHBondContact O-CD 3.31Å; L39-A46 HydrophobicContact CD2-CB 4.29Å; L39-I48 HydrophobicContact CD2-CD1 3.68Å; L39-I48 HydrophobicContact CD2-CG1 4.07Å; L39-H75 HydrophobicContact CD1-CB 3.88Å; L39-L76 HydrophobicContact CD1-CD2 3.91Å; L39-L76 HydrophobicContact CD1-CG 4.11Å; L39-L76 HydrophobicContact CD2-CD2 4.19Å; L39-L76 HydrophobicContact CG-CD2 4.09Å; L39-F79 HydrophobicContact CD1-CB 4.27Å; L39-F79 HydrophobicContact CD2-CB 3.85Å; L39-F79 HydrophobicContact CD2-CD1 3.58Å; L39-F79 HydrophobicContact CD2-CD2 3.77Å; L39-F79 HydrophobicContact CD2-CE1 4.06Å; L39-F79 HydrophobicContact CD2-CE2 4.23Å; L39-F79 HydrophobicContact CD2-CG 3.41Å; L39-F79 VanDerWaalsContact CD2-CG 3.41Å; L39-F79 HydrophobicContact CD2-CZ 4.35Å
40F95.8Very high94.1Very high1 Ų118.6 Ų18.60%0.00410%0.104CC..  trans-56.2126.7178-177.4-89.3000110.3F28 L31 P36 K37 I42 S47 A266 I335 L337 V352F28-F40 HydrophobicContact CE1-CB 3.98Å; F28-F40 HydrophobicContact CE1-CD1 4.11Å; F28-F40 AromaticContact CE1-CD2 3.63Å; F28-F40 HydrophobicContact CE1-CD2 3.63Å; F28-F40 HydrophobicContact CE1-CE2 4.13Å; F28-F40 AromaticContact CE1-CG 3.62Å; F28-F40 HydrophobicContact CE1-CG 3.62Å; F28-F40 HydrophobicContact CZ-CB 4.26Å; F28-F40 AromaticContact CZ-CD1 3.68Å; F28-F40 HydrophobicContact CZ-CD1 3.68Å; F28-F40 HydrophobicContact CZ-CD2 4Å; F28-F40 AromaticContact CZ-CE1 3.98Å; F28-F40 HydrophobicContact CZ-CE1 3.98Å; F28-F40 HydrophobicContact CZ-CE2 4.27Å; F28-F40 AromaticContact CZ-CG 3.69Å; F28-F40 HydrophobicContact CZ-CG 3.69Å; F28-F40 HydrophobicContact CZ-CZ 4.27Å; L31-F40 HydrophobicContact CB-CD2 4.18Å; L31-F40 HydrophobicContact CB-CE2 3.89Å; L31-F40 HydrophobicContact CD1-CE2 3.89Å; L31-F40 HydrophobicContact CD1-CZ 4.06Å; L31-F40 HydrophobicContact CD2-CE2 4.19Å; L31-F40 HydrophobicContact CG-CE2 4.21Å; P36-F40 PolarHBondContact O-N 3.41Å; K37-F40 WeakPolarHBondContact O-CB 3.35Å; K37-F40 PolarHBondContact O-N 3.24Å; F40-I42 HydrophobicContact CD1-CD1 3.62Å; F40-I42 HydrophobicContact CD1-CG1 4.14Å; F40-I42 HydrophobicContact CE1-CD1 3.63Å; F40-I42 PolarHBondContact O-N 2.83Å; F40-S47 PolarHBondContact O-N 2.79Å; F40-A266 HydrophobicContact CE1-CB 3.93Å; F40-I335 HydrophobicContact CE1-CD1 3.97Å; F40-I335 HydrophobicContact CE1-CG2 4.5Å; F40-I335 HydrophobicContact CZ-CD1 4.34Å; F40-I335 HydrophobicContact CZ-CG2 4.26Å; F40-L337 HydrophobicContact CD2-CD1 4.42Å; F40-L337 HydrophobicContact CE2-CD1 3.82Å; F40-L337 HydrophobicContact CE2-CD2 4.29Å; F40-L337 HydrophobicContact CZ-CD2 4.35Å; F40-V352 HydrophobicContact CE2-CG1 4.25Å; F40-V352 HydrophobicContact CZ-CG1 3.82Å
41P97.4Very high94.4Very high20 Ų2018.2 Ų18.213%0.1310%0.102CC..EExtended strand (participates in β ladder)trans-67.6129.1-177.9-23.234.8000113L39 L45 L337L39-P41 WeakPolarHBondContact O-CD 3.31Å; P41-L45 CarbonylContact C-O 3.5Å; P41-L45 VanDerWaalsContact CA-O 3.25Å; P41-L45 WeakPolarHBondContact CA-O 3.39Å; P41-L337 HydrophobicContact CB-CD2 4.26Å; P41-L337 HydrophobicContact CG-CD2 3.96Å
42I97.6Very high94.7Very high0 Ų017.6 Ų17.60%010%0.099CC..EExtended strand (participates in β ladder)trans-128.9125.1170.4-56.2-68.3000107F40 G44 L45 H50 L260 A266 A269 N270 Y273 I335F40-I42 HydrophobicContact CD1-CD1 3.62Å; F40-I42 HydrophobicContact CD1-CG1 4.14Å; F40-I42 HydrophobicContact CE1-CD1 3.63Å; F40-I42 PolarHBondContact O-N 2.83Å; I42-G44 PolarHBondContact O-N 3.2Å; I42-L45 PolarHBondContact N-O 3.42Å; I42-L45 PolarHBondContact O-N 3.41Å; I42-L45 VanDerWaalsContact O-O 3.06Å; I42-H50 PolarHBondContact O-NE2 3.34Å; I42-L260 HydrophobicContact CD1-CD1 4Å; I42-L260 HydrophobicContact CD1-CD2 4.18Å; I42-L260 HydrophobicContact CG1-CD2 4.05Å; I42-A266 HydrophobicContact CD1-CB 3.74Å; I42-A269 HydrophobicContact CG2-CB 3.85Å; I42-N270 HydrophobicContact CG2-CB 4.22Å; I42-Y273 HydrophobicContact CB-CD2 4.44Å; I42-Y273 HydrophobicContact CG2-CD2 3.54Å; I42-Y273 HydrophobicContact CG2-CE2 4.12Å; I42-I335 HydrophobicContact CD1-CD1 4.21Å
43G97.8Very high95.1Very high0 Ų017.1 Ų17.10%010%0.095CC..THydrogen-bonded Turntrans59.834.1-173.200000112.3L45 N270 Y277G43-L45 VanDerWaalsContact C-N 3.27Å; G43-L45 PolarHBondContact O-N 3.17Å; G43-N270 WeakPolarHBondContact CA-OD1 3.39Å; G43-N270 PolarHBondContact N-OD1 3.39Å; G43-Y277 WeakPolarHBondContact O-CE2 3.03Å; G43-Y277 PolarHBondContact O-OH 3.43Å
44G97.6Very high95.5Very high21 Ų2114.1 Ų14.122%0.2168%0.081CC..THydrogen-bonded Turntrans80.4-7.2-179.700000116.4I42I42-G44 PolarHBondContact O-N 3.2Å
45L97.6Very high96.2Very high18 Ų189.1 Ų9.19%0.0946%0.055CC..EExtended strand (participates in β ladder)trans-121.4150.9-177.7-59.4179.4000111.1P41 I42 G43 S47 Q49 Y277P41-L45 CarbonylContact C-O 3.5Å; P41-L45 VanDerWaalsContact CA-O 3.25Å; P41-L45 WeakPolarHBondContact CA-O 3.39Å; I42-L45 PolarHBondContact N-O 3.42Å; I42-L45 PolarHBondContact O-N 3.41Å; I42-L45 VanDerWaalsContact O-O 3.06Å; G43-L45 VanDerWaalsContact C-N 3.27Å; G43-L45 PolarHBondContact O-N 3.17Å; L45-S47 PolarHBondContact O-N 3.43Å; L45-Q49 HydrophobicContact CB-CB 4.33Å; L45-Q49 HydrophobicContact CB-CG 4.44Å; L45-Q49 HydrophobicContact CD1-CG 4.38Å; L45-Y277 WeakPolarHBondContact CD1-OH 3.33Å
46A97.3Very high96.5Very high14 Ų148.8 Ų8.812%0.1166%0.057CC..EExtended strand (participates in β ladder)trans-51.3136.2173.300000110.5L39 I48 Q49 F79L39-A46 HydrophobicContact CD2-CB 4.29Å; A46-I48 PolarHBondContact O-N 2.84Å; A46-I48 VanDerWaalsContact O-N 3.11Å; A46-Q49 HydrophobicContact CB-CB 4.22Å; A46-Q49 WeakPolarHBondContact O-CA 3.38Å; A46-Q49 WeakPolarHBondContact O-CB 3.42Å; A46-Q49 PolarHBondContact O-N 3.45Å; A46-F79 HydrophobicContact CB-CD2 4.05Å; A46-F79 HydrophobicContact CB-CE2 3.54Å; A46-F79 HydrophobicContact CB-CZ 4.21Å
47S96.7Very high96.6Very high1 Ų114 Ų141%0.0078%0.079CC..Hα-helixtrans-54.7-36.2-176.166.60000113.9P38 F40 L45 Q49 H50 H51P38-S47 VanDerWaalsContact C-OG 3.3Å; P38-S47 PolarHBondContact O-N 3.49Å; P38-S47 PolarHBondContact O-OG 3.07Å; F40-S47 PolarHBondContact O-N 2.79Å; L45-S47 PolarHBondContact O-N 3.43Å; S47-Q49 VanDerWaalsContact C-N 3.34Å; S47-H50 PolarHBondContact O-N 3.3Å; S47-H51 PolarHBondContact O-ND1 2.93Å
48I97.2Very high96.5Very high0 Ų013.1 Ų13.10%08%0.076CC..Hα-helixtrans-74.8-17.5174.462.3177.6000114.4I17 I19 P38 L39 A46 H50 H51 I52 L66 F79 A127I17-I48 HydrophobicContact CG2-CG2 4.23Å; I19-I48 HydrophobicContact CG2-CG2 4.44Å; P38-I48 HydrophobicContact CB-CD1 4.15Å; P38-I48 HydrophobicContact CB-CG2 3.58Å; P38-I48 WeakPolarHBondContact O-CG1 3.42Å; P38-I48 PolarHBondContact O-N 2.89Å; P38-I48 VanDerWaalsContact O-N 3.12Å; L39-I48 HydrophobicContact CD2-CD1 3.68Å; L39-I48 HydrophobicContact CD2-CG1 4.07Å; A46-I48 PolarHBondContact O-N 2.84Å; A46-I48 VanDerWaalsContact O-N 3.11Å; I48-H50 VanDerWaalsContact C-N 3.27Å; I48-H50 PolarHBondContact O-N 3.29Å; I48-H51 WeakPolarHBondContact O-CB 3.26Å; I48-H51 PolarHBondContact O-N 3.02Å; I48-H51 VanDerWaalsContact O-N 3.13Å; I48-I52 WeakPolarHBondContact O-CG1 3.33Å; I48-I52 PolarHBondContact O-N 3.46Å; I48-L66 HydrophobicContact CD1-CD1 4.19Å; I48-F79 HydrophobicContact CD1-CD1 4Å; I48-F79 HydrophobicContact CD1-CE1 3.41Å; I48-F79 VanDerWaalsContact CD1-CE1 3.41Å; I48-F79 HydrophobicContact CD1-CZ 3.97Å; I48-F79 HydrophobicContact CG1-CE1 3.63Å; I48-F79 HydrophobicContact CG1-CZ 3.62Å; I48-A127 HydrophobicContact CG2-CB 3.58Å
49Q97.9Very high96.3Very high3 Ų317.4 Ų17.41%0.01410%0.104CC..Hα-helixtrans-63.1-36.5172.6-178162.5-14.400110.8L45 A46 S47 H51 I52 E53 F79 E86L45-Q49 HydrophobicContact CB-CB 4.33Å; L45-Q49 HydrophobicContact CB-CG 4.44Å; L45-Q49 HydrophobicContact CD1-CG 4.38Å; A46-Q49 HydrophobicContact CB-CB 4.22Å; A46-Q49 WeakPolarHBondContact O-CA 3.38Å; A46-Q49 WeakPolarHBondContact O-CB 3.42Å; A46-Q49 PolarHBondContact O-N 3.45Å; S47-Q49 VanDerWaalsContact C-N 3.34Å; Q49-H51 VanDerWaalsContact C-N 3.27Å; Q49-H51 PolarHBondContact O-N 2.92Å; Q49-I52 PolarHBondContact O-N 2.75Å; Q49-E53 HydrophobicContact CG-CG 4.4Å; Q49-E53 PolarHBondContact NE2-OE1 3.25Å; Q49-E53 WeakPolarHBondContact O-CB 3.26Å; Q49-E53 WeakPolarHBondContact O-CG 3.41Å; Q49-E53 PolarHBondContact O-N 2.97Å; Q49-F79 HydrophobicContact CB-CE2 4.18Å; Q49-F79 HydrophobicContact CB-CZ 4.2Å; Q49-E86 PolarHBondContact NE2-OE1 3.2Å; Q49-E86 PolarHBondContact NE2-OE2 3.5Å
50H97.4Very high96Very high10 Ų1018.6 Ų18.65%0.04612%0.116CC..Hα-helixtrans-60.8-35.4172.8-64.3-75000113.1I42 S47 I48 A54 Y273 Y277I42-H50 PolarHBondContact O-NE2 3.34Å; S47-H50 PolarHBondContact O-N 3.3Å; I48-H50 VanDerWaalsContact C-N 3.27Å; I48-H50 PolarHBondContact O-N 3.29Å; H50-A54 WeakPolarHBondContact O-CB 3.11Å; H50-A54 PolarHBondContact O-N 3.46Å; H50-A54 VanDerWaalsContact O-N 3.09Å; H50-Y273 HydrophobicContact CB-CE1 3.69Å; H50-Y273 HydrophobicContact CB-CE2 4.39Å; H50-Y273 WeakPolarHBondContact CB-OH 3.34Å; H50-Y273 AromaticContact CD2-CE2 3.84Å; H50-Y273 AromaticContact CD2-CZ 3.88Å; H50-Y273 AromaticContact CE1-CD1 3.58Å; H50-Y273 AromaticContact CE1-CE1 4Å; H50-Y273 AromaticContact CE1-CG 3.61Å; H50-Y273 AromaticContact CG-CD1 3.9Å; H50-Y273 AromaticContact CG-CE1 3.51Å; H50-Y273 AromaticContact CG-CE2 3.94Å; H50-Y273 AromaticContact CG-CZ 3.5Å; H50-Y273 VanDerWaalsContact CG-CZ 3.5Å; H50-Y273 AromaticContact ND1-CD1 3.34Å; H50-Y273 VanDerWaalsContact ND1-CD1 3.34Å; H50-Y273 WeakPolarHBondContact ND1-CD1 3.2Å; H50-Y273 AromaticContact ND1-CE1 3.38Å; H50-Y273 WeakPolarHBondContact ND1-CE1 3.37Å; H50-Y273 AromaticContact ND1-CG 3.85Å; H50-Y273 AromaticContact ND1-CZ 3.86Å; H50-Y273 AromaticContact NE2-CD2 3.95Å; H50-Y273 AromaticContact NE2-CG 3.98Å; H50-Y277 AromaticContact CE1-CE1 3.95Å; H50-Y277 AromaticContact CE1-CZ 3.91Å; H50-Y277 PolarHBondContact CE1-OH 3.04Å
51H97.7Very high96Very high0 Ų019 Ų190%012%0.118CC..Hα-helixtrans-68.8-45.9175.8-6368.7000110.6I17 S47 I48 Q49 A54 L55 L125 N126 V129 F133I17-H51 HydrophobicContact CD1-CB 3.74Å; S47-H51 PolarHBondContact O-ND1 2.93Å; I48-H51 WeakPolarHBondContact O-CB 3.26Å; I48-H51 PolarHBondContact O-N 3.02Å; I48-H51 VanDerWaalsContact O-N 3.13Å; Q49-H51 VanDerWaalsContact C-N 3.27Å; Q49-H51 PolarHBondContact O-N 2.92Å; H51-A54 PolarHBondContact O-N 2.85Å; H51-L55 WeakPolarHBondContact O-CB 3.1Å; H51-L55 WeakPolarHBondContact O-CD1 3.08Å; H51-L55 VanDerWaalsContact O-CG 3.25Å; H51-L55 WeakPolarHBondContact O-CG 3.44Å; H51-L55 PolarHBondContact O-N 3.17Å; H51-L125 HydrophobicContact CB-CD2 4.44Å; H51-N126 PolarHBondContact NE2-O 3.17Å; H51-V129 PolarHBondContact CE1-O 2.69Å; H51-V129 PolarHBondContact NE2-O 3.44Å; H51-V129 VanDerWaalsContact NE2-O 3.15Å; H51-F133 AromaticContact CD2-CE2 3.96Å; H51-F133 AromaticContact CD2-CZ 3.78Å; H51-F133 AromaticContact CE1-CZ 3.95Å; H51-F133 AromaticContact NE2-CZ 3.55Å
52I98.1Very high95.9Very high0 Ų023.3 Ų23.30%014%0.135CC..Hα-helixtrans-59.3-48177-67.8168.3000110I17 I48 Q49 A54 L55 V56 I64 F79 V83 F87 I92I17-I52 HydrophobicContact CD1-CG1 3.92Å; I48-I52 WeakPolarHBondContact O-CG1 3.33Å; I48-I52 PolarHBondContact O-N 3.46Å; Q49-I52 PolarHBondContact O-N 2.75Å; I52-A54 VanDerWaalsContact C-N 3.31Å; I52-A54 PolarHBondContact O-N 3.35Å; I52-L55 WeakPolarHBondContact O-CB 3.37Å; I52-L55 PolarHBondContact O-N 3.09Å; I52-V56 HydrophobicContact CG2-CG1 4.14Å; I52-V56 WeakPolarHBondContact O-CG1 3.47Å; I52-V56 WeakPolarHBondContact O-CG2 3.46Å; I52-V56 PolarHBondContact O-N 3.15Å; I52-I64 HydrophobicContact CB-CD1 4.37Å; I52-I64 HydrophobicContact CG1-CD1 4.3Å; I52-I64 HydrophobicContact CG2-CD1 3.98Å; I52-F79 HydrophobicContact CD1-CE1 3.89Å; I52-F79 HydrophobicContact CD1-CZ 3.88Å; I52-V83 HydrophobicContact CD1-CB 4.36Å; I52-V83 HydrophobicContact CD1-CG1 4.28Å; I52-V83 HydrophobicContact CD1-CG2 4.09Å; I52-F87 HydrophobicContact CG2-CD2 3.71Å; I52-F87 HydrophobicContact CG2-CE2 3.8Å; I52-I92 HydrophobicContact CG2-CD1 3.87Å
53E96.8Very high95.9Very high4 Ų423.9 Ų23.92%0.01914%0.137CC..Hα-helixtrans-62.7-33.9178.8-78-176.8-162.400113.7Q49 V56 K57 F87 Y281 R284Q49-E53 HydrophobicContact CG-CG 4.4Å; Q49-E53 PolarHBondContact NE2-OE1 3.25Å; Q49-E53 WeakPolarHBondContact O-CB 3.26Å; Q49-E53 WeakPolarHBondContact O-CG 3.41Å; Q49-E53 PolarHBondContact O-N 2.97Å; E53-V56 WeakPolarHBondContact O-CG2 3.25Å; E53-K57 WeakPolarHBondContact O-CD 3.42Å; E53-K57 WeakPolarHBondContact O-CE 3.05Å; E53-K57 WeakPolarHBondContact O-CG 3.25Å; E53-F87 HydrophobicContact CG-CE1 4.49Å; E53-F87 HydrophobicContact CG-CE2 4.33Å; E53-F87 HydrophobicContact CG-CZ 3.67Å; E53-Y281 WeakPolarHBondContact OE2-CE2 3.37Å; E53-Y281 PolarHBondContact OE2-OH 3.02Å; E53-R284 VanDerWaalsContact CD-NH2 3.31Å; E53-R284 IonicContact OE1-CZ 3.34Å; E53-R284 IonicContact OE1-NH1 2.85Å; E53-R284 PolarHBondContact OE1-NH1 3.03Å; E53-R284 VanDerWaalsContact OE1-NH1 3.17Å; E53-R284 IonicContact OE1-NH2 2.93Å; E53-R284 PolarHBondContact OE1-NH2 3.15Å; E53-R284 IonicContact OE2-CZ 2.71Å; E53-R284 IonicContact OE2-NH1 3.37Å; E53-R284 PolarHBondContact OE2-NH1 3.35Å; E53-R284 IonicContact OE2-NH2 2.69Å; E53-R284 PolarHBondContact OE2-NH2 3.24Å
54A95.7Very high96Very high15 Ų1523.9 Ų23.912%0.12414%0.137CC..Hα-helixtrans-70.7-37.5172.400000111.9H50 H51 I52 F133 L135H50-A54 WeakPolarHBondContact O-CB 3.11Å; H50-A54 PolarHBondContact O-N 3.46Å; H50-A54 VanDerWaalsContact O-N 3.09Å; H51-A54 PolarHBondContact O-N 2.85Å; I52-A54 VanDerWaalsContact C-N 3.31Å; I52-A54 PolarHBondContact O-N 3.35Å; A54-F133 HydrophobicContact CB-CB 3.66Å; A54-F133 HydrophobicContact CB-CD2 4.07Å; A54-F133 HydrophobicContact CB-CG 4.32Å; A54-L135 HydrophobicContact CB-CD1 4.15Å
55L96.8Very high96Very high0 Ų022.9 Ų22.90%013%0.127CC..Hα-helixtrans-69.4-48.5-179.2-81.3167.6000112.6A15 I17 H51 I52 K57 V58 L61 I64 F123 L125 L135A15-L55 HydrophobicContact CB-CD1 3.65Å; A15-L55 HydrophobicContact CB-CD2 3.38Å; A15-L55 HydrophobicContact CB-CG 4.12Å; I17-L55 HydrophobicContact CD1-CD1 3.89Å; I17-L55 HydrophobicContact CG1-CD1 4Å; H51-L55 WeakPolarHBondContact O-CB 3.1Å; H51-L55 WeakPolarHBondContact O-CD1 3.08Å; H51-L55 VanDerWaalsContact O-CG 3.25Å; H51-L55 WeakPolarHBondContact O-CG 3.44Å; H51-L55 PolarHBondContact O-N 3.17Å; I52-L55 WeakPolarHBondContact O-CB 3.37Å; I52-L55 PolarHBondContact O-N 3.09Å; L55-K57 PolarHBondContact O-N 3.33Å; L55-V58 VanDerWaalsContact O-CB 3.29Å; L55-V58 WeakPolarHBondContact O-CB 3.26Å; L55-V58 WeakPolarHBondContact O-CG2 3.43Å; L55-V58 PolarHBondContact O-N 3.35Å; L55-L61 VanDerWaalsContact C-CD2 3.41Å; L55-L61 HydrophobicContact CB-CD2 3.71Å; L55-L61 HydrophobicContact CD2-CD2 4.43Å; L55-L61 WeakPolarHBondContact O-CD2 3.41Å; L55-I64 HydrophobicContact CB-CD1 3.83Å; L55-I64 HydrophobicContact CB-CG1 4.45Å; L55-I64 HydrophobicContact CD1-CD1 4.09Å; L55-I64 HydrophobicContact CD1-CG1 4.26Å; L55-I64 HydrophobicContact CD1-CG2 4.21Å; L55-F123 HydrophobicContact CD2-CB 3.99Å; L55-F123 HydrophobicContact CD2-CD2 4.16Å; L55-F123 HydrophobicContact CD2-CG 4.14Å; L55-L125 HydrophobicContact CD1-CD1 4.3Å; L55-L125 HydrophobicContact CD2-CD1 4.07Å; L55-L125 HydrophobicContact CG-CD1 4.44Å; L55-L135 HydrophobicContact CB-CD1 4.48Å; L55-L135 HydrophobicContact CD2-CD1 3.49Å; L55-L135 VanDerWaalsContact CD2-CD1 3.49Å; L55-L135 HydrophobicContact CG-CD1 3.72Å
56V95.7Very high96Very high38 Ų3822 Ų2223%0.2312%0.122CC..Hα-helixtrans-61.9-18.7-178-61.20000113.3I52 E53 V58 I64 F87 V90I52-V56 HydrophobicContact CG2-CG1 4.14Å; I52-V56 WeakPolarHBondContact O-CG1 3.47Å; I52-V56 WeakPolarHBondContact O-CG2 3.46Å; I52-V56 PolarHBondContact O-N 3.15Å; E53-V56 WeakPolarHBondContact O-CG2 3.25Å; V56-V58 VanDerWaalsContact C-N 3.26Å; V56-V58 PolarHBondContact O-N 3.14Å; V56-I64 HydrophobicContact CG1-CD1 4.14Å; V56-F87 HydrophobicContact CB-CD1 4.33Å; V56-F87 HydrophobicContact CG1-CB 4.1Å; V56-F87 HydrophobicContact CG1-CD1 4.07Å; V56-F87 HydrophobicContact CG1-CD2 4.46Å; V56-F87 HydrophobicContact CG1-CG 3.94Å; V56-F87 HydrophobicContact CG2-CD1 3.92Å; V56-F87 HydrophobicContact CG2-CE1 3.95Å; V56-V90 HydrophobicContact CB-CG2 4.49Å; V56-V90 HydrophobicContact CG1-CB 4.34Å; V56-V90 HydrophobicContact CG1-CG2 4.07Å
57K93.2Very high96Very high119 Ų11921.4 Ų21.452%0.51712%0.117SC..THydrogen-bonded Turntrans-76.4-10.3173.3-67.3170.4-172.7173.70113.3E53 L55 P59 Y281E53-K57 WeakPolarHBondContact O-CD 3.42Å; E53-K57 WeakPolarHBondContact O-CE 3.05Å; E53-K57 WeakPolarHBondContact O-CG 3.25Å; L55-K57 PolarHBondContact O-N 3.33Å; K57-P59 WeakPolarHBondContact O-CD 3.45Å; K57-Y281 VanDerWaalsContact CE-OH 3.32Å; K57-Y281 WeakPolarHBondContact CE-OH 3.34Å; K57-Y281 PolarHBondContact NZ-OH 3.29Å
58V92.7Very high96Very high5 Ų521.3 Ų21.33%0.0312%0.117CC..SBendtrans-80.7119.1178.3-176.30000109.7L13 L55 V56 G60 L61 F123 L135L13-V58 HydrophobicContact CD1-CG1 3.81Å; L55-V58 VanDerWaalsContact O-CB 3.29Å; L55-V58 WeakPolarHBondContact O-CB 3.26Å; L55-V58 WeakPolarHBondContact O-CG2 3.43Å; L55-V58 PolarHBondContact O-N 3.35Å; V56-V58 VanDerWaalsContact C-N 3.26Å; V56-V58 PolarHBondContact O-N 3.14Å; V58-G60 PolarHBondContact O-N 3.35Å; V58-L61 HydrophobicContact CB-CB 4.43Å; V58-L61 WeakPolarHBondContact O-CB 3.43Å; V58-L61 PolarHBondContact O-N 3.43Å; V58-F123 HydrophobicContact CG1-CE2 3.92Å; V58-F123 HydrophobicContact CG1-CZ 4.28Å; V58-F123 HydrophobicContact CG2-CE2 4.26Å; V58-F123 HydrophobicContact CG2-CZ 4.37Å; V58-L135 HydrophobicContact CG2-CB 3.57Å
59P89.3Confident95.8Very high96 Ų9623.2 Ų23.262%0.62313%0.125SC*.THydrogen-bonded Turntrans-59136.3177.3-23.234.2000111.7L13 K57 L61L13-P59 WeakPolarHBondContact CD1-O 3.45Å; K57-P59 WeakPolarHBondContact O-CD 3.45Å; P59-L61 VanDerWaalsContact C-N 3.3Å; P59-L61 PolarHBondContact O-N 2.91Å
60G90.6Very high95.5Very high25 Ų2524 Ų2426%0.25813%0.128SC..THydrogen-bonded Turntrans83.9-3.4179.500000114.9L13 V58 K62L13-G60 PolarHBondContact N-O 2.82Å; V58-G60 PolarHBondContact O-N 3.35Å; G60-K62 PolarHBondContact O-N 3.41Å
61L94.8Very high95Very high9 Ų929.4 Ų29.45%0.04715%0.153CC..EExtended strand (participates in β ladder)trans-66.3124.7172.4-16978.7000110.8L13 K14 A15 L55 V58 P59 I64 V90L13-L61 HydrophobicContact CB-CD1 4.22Å; L13-L61 WeakPolarHBondContact O-CA 3.11Å; K14-L61 VanDerWaalsContact C-CD1 3.45Å; A15-L61 HydrophobicContact CB-CD1 4.06Å; L55-L61 VanDerWaalsContact C-CD2 3.41Å; L55-L61 HydrophobicContact CB-CD2 3.71Å; L55-L61 HydrophobicContact CD2-CD2 4.43Å; L55-L61 WeakPolarHBondContact O-CD2 3.41Å; V58-L61 HydrophobicContact CB-CB 4.43Å; V58-L61 WeakPolarHBondContact O-CB 3.43Å; V58-L61 PolarHBondContact O-N 3.43Å; P59-L61 VanDerWaalsContact C-N 3.3Å; P59-L61 PolarHBondContact O-N 2.91Å; L61-I64 HydrophobicContact CD2-CD1 4.02Å; L61-I64 HydrophobicContact CD2-CG1 3.86Å; L61-V90 HydrophobicContact CD2-CG1 4.27Å
62K95.8Very high94.1Very high111 Ų11133.8 Ų33.848%0.48318%0.182SC..EExtended strand (participates in β ladder)trans-114.1-27-178.4-62.1-54.7-177.5-178.40114.3V12 L13 G60 N91V12-K62 HydrophobicContact CG1-CB 4.47Å; V12-K62 HydrophobicContact CG1-CG 4.04Å; L13-K62 PolarHBondContact O-N 3.5Å; G60-K62 PolarHBondContact O-N 3.41Å; K62-N91 PolarHBondContact O-N 2.96Å
63E97.8Very high93.2Very high12 Ų1235.5 Ų35.56%0.05619%0.194CC..EExtended strand (participates in β ladder)trans-148.4141.1-175.5-177.5173.4-128.800112.3K14 A15 L65 N91 R93K14-E63 CarbonylContact C-O 3.57Å; K14-E63 VanDerWaalsContact CA-O 3.27Å; K14-E63 WeakPolarHBondContact CA-O 3.35Å; K14-E63 HydrophobicContact CD-CB 4.07Å; K14-E63 WeakPolarHBondContact CD-OE2 3.17Å; K14-E63 WeakPolarHBondContact CE-OE2 3.49Å; K14-E63 HydrophobicContact CG-CB 3.96Å; K14-E63 IonicContact NZ-OE2 3.17Å; K14-E63 PolarHBondContact NZ-OE2 3.37Å; A15-E63 PolarHBondContact N-O 3.15Å; E63-L65 HydrophobicContact CG-CD2 3.87Å; E63-L65 HydrophobicContact CG-CG 4.1Å; E63-N91 CarbonylContact C-O 3.58Å; E63-N91 WeakPolarHBondContact CA-O 3.46Å; E63-N91 HydrophobicContact CB-CB 4.3Å; E63-N91 HydrophobicContact CG-CB 4.17Å; E63-N91 WeakPolarHBondContact CG-O 3.43Å; E63-N91 PolarHBondContact OE1-ND2 2.95Å; E63-R93 IonicContact OE1-CZ 3.61Å; E63-R93 VanDerWaalsContact OE1-CZ 3.3Å; E63-R93 IonicContact OE1-NE 2.69Å; E63-R93 PolarHBondContact OE1-NE 2.89Å; E63-R93 VanDerWaalsContact OE1-NE 3.12Å; E63-R93 IonicContact OE1-NH2 3.3Å; E63-R93 PolarHBondContact OE1-NH2 2.78Å
64I98.5Very high92.7Very high0 Ų042 Ų420%023%0.229CC..EExtended strand (participates in β ladder)trans-119.5120.6170.9-57.8171.4000108.2A15 I17 I52 L55 V56 L61 L66 V90 N91 I92 R93A15-I64 HydrophobicContact CB-CG1 4.36Å; A15-I64 CarbonylContact O-C 3.6Å; A15-I64 WeakPolarHBondContact O-CA 3.27Å; I17-I64 HydrophobicContact CD1-CG2 3.81Å; I17-I64 HydrophobicContact CG1-CG2 4.09Å; I52-I64 HydrophobicContact CB-CD1 4.37Å; I52-I64 HydrophobicContact CG1-CD1 4.3Å; I52-I64 HydrophobicContact CG2-CD1 3.98Å; L55-I64 HydrophobicContact CB-CD1 3.83Å; L55-I64 HydrophobicContact CB-CG1 4.45Å; L55-I64 HydrophobicContact CD1-CD1 4.09Å; L55-I64 HydrophobicContact CD1-CG1 4.26Å; L55-I64 HydrophobicContact CD1-CG2 4.21Å; V56-I64 HydrophobicContact CG1-CD1 4.14Å; L61-I64 HydrophobicContact CD2-CD1 4.02Å; L61-I64 HydrophobicContact CD2-CG1 3.86Å; I64-L66 HydrophobicContact CG2-CD2 4.26Å; I64-V90 HydrophobicContact CD1-CG1 3.98Å; I64-V90 HydrophobicContact CG1-CG1 3.82Å; I64-N91 PolarHBondContact N-O 3.16Å; I64-I92 HydrophobicContact CB-CG1 4.31Å; I64-I92 HydrophobicContact CB-CG2 4.49Å; I64-I92 HydrophobicContact CD1-CG1 4.47Å; I64-I92 WeakPolarHBondContact O-CA 3.39Å; I64-R93 PolarHBondContact O-N 3.41Å; I64-R93 VanDerWaalsContact O-N 3.07Å
65L98.2Very high92.4Very high0 Ų044.9 Ų44.90%024%0.24CC..EExtended strand (participates in β ladder)trans-104.1118.2177.2-60.2172.3000109.1A15 V16 I17 E63 V67 R93 L95 I114A15-L65 PolarHBondContact O-N 3.04Å; V16-L65 CarbonylContact C-O 3.5Å; V16-L65 VanDerWaalsContact CA-O 3.26Å; V16-L65 WeakPolarHBondContact CA-O 3.41Å; V16-L65 HydrophobicContact CG2-CB 4.37Å; I17-L65 PolarHBondContact N-O 3.27Å; E63-L65 HydrophobicContact CG-CD2 3.87Å; E63-L65 HydrophobicContact CG-CG 4.1Å; L65-V67 HydrophobicContact CB-CG2 4.43Å; L65-R93 WeakPolarHBondContact CA-O 3.16Å; L65-R93 HydrophobicContact CD2-CB 4.44Å; L65-L95 HydrophobicContact CB-CD1 4.24Å; L65-L95 HydrophobicContact CD1-CD1 4Å; L65-L95 HydrophobicContact CD2-CD1 4.02Å; L65-L95 HydrophobicContact CD2-CG 4.2Å; L65-L95 HydrophobicContact CG-CD1 4.3Å; L65-I114 HydrophobicContact CD1-CB 4.44Å; L65-I114 HydrophobicContact CD1-CG1 3.71Å
66L97.9Very high92.2Very high0 Ų045 Ų450%024%0.24CC..EExtended strand (participates in β ladder)trans-83.6120.4168.7-49.9-177.9000107.1I17 I19 I48 I64 F79 R93 Y94 L95I17-L66 HydrophobicContact CB-CD2 3.87Å; I17-L66 HydrophobicContact CD1-CD2 3.79Å; I17-L66 HydrophobicContact CG1-CD2 4.22Å; I19-L66 HydrophobicContact CD1-CB 4.48Å; I19-L66 HydrophobicContact CG2-CB 4.2Å; I19-L66 HydrophobicContact CG2-CD2 4.49Å; I48-L66 HydrophobicContact CD1-CD1 4.19Å; I64-L66 HydrophobicContact CG2-CD2 4.26Å; L66-F79 HydrophobicContact CD1-CE1 4.43Å; L66-R93 PolarHBondContact N-O 2.86Å; L66-Y94 HydrophobicContact CB-CD2 4.02Å; L66-Y94 WeakPolarHBondContact O-CA 3.02Å; L66-Y94 VanDerWaalsContact O-CD2 3.26Å; L66-Y94 WeakPolarHBondContact O-CD2 3.37Å; L66-L95 PolarHBondContact O-N 3.01Å
67V97.4Very high92.1Very high1 Ų145.8 Ų45.81%0.00625%0.251CS..EExtended strand (participates in β ladder)trans-119.2125.3-177.11750000109.9V16 I17 I18 I19 L65 L95 E97 F110V16-V67 HydrophobicContact CG1-CB 3.86Å; V16-V67 HydrophobicContact CG1-CG2 3.44Å; V16-V67 VanDerWaalsContact CG1-CG2 3.44Å; I17-V67 PolarHBondContact O-N 2.73Å; I18-V67 CarbonylContact C-O 3.51Å; I18-V67 WeakPolarHBondContact CA-O 3.35Å; I19-V67 WeakPolarHBondContact CG1-O 3.4Å; I19-V67 PolarHBondContact N-O 2.6Å; L65-V67 HydrophobicContact CB-CG2 4.43Å; V67-L95 HydrophobicContact CG2-CB 4.17Å; V67-L95 HydrophobicContact CG2-CD1 4.32Å; V67-E97 HydrophobicContact CG1-CG 4.09Å; V67-F110 HydrophobicContact CG1-CD2 3.92Å; V67-F110 HydrophobicContact CG1-CE2 4.06Å; V67-F110 HydrophobicContact CG2-CD2 4.2Å
68G95.6Very high92.2Very high0 Ų043.5 Ų43.50%025%0.25CC..EExtended strand (participates in β ladder)trans175-178.2174.700000113.8G20 Y94 L95 Q96 E97G20-G68 CarbonylContact O-C 3.5Å; G20-G68 VanDerWaalsContact O-CA 3.24Å; G20-G68 WeakPolarHBondContact O-CA 3.48Å; G68-Y94 PolarHBondContact O-OH 2.82Å; G68-L95 PolarHBondContact N-O 2.88Å; G68-Q96 WeakPolarHBondContact O-CA 2.88Å; G68-E97 PolarHBondContact O-N 2.98Å
69F94Very high92.4Very high39 Ų3944 Ų4417%0.17125%0.252CS..  trans-106.166.1-175.2-175.7-122.2000111.3G20 G21 P22 E97 Y98 P100G20-F69 PolarHBondContact O-N 3.38Å; G21-F69 VanDerWaalsContact CA-O 3.31Å; G21-F69 WeakPolarHBondContact CA-O 3.46Å; P22-F69 WeakPolarHBondContact CD-O 3.45Å; F69-E97 HydrophobicContact CB-CB 4.31Å; F69-E97 VanDerWaalsContact CD2-O 3.25Å; F69-E97 WeakPolarHBondContact CD2-O 3.44Å; F69-Y98 WeakPolarHBondContact CE2-O 3.29Å; F69-P100 HydrophobicContact CD1-CG 3.66Å; F69-P100 HydrophobicContact CE1-CG 3.93Å; F69-P100 HydrophobicContact CG-CG 4.32Å
70Y91.9Very high92.7Very high19 Ų1940.4 Ų40.48%0.07523%0.228CC..  trans-111.4141.6168.8-75.1-82.5000109.1I19 G20 P22 P36 P38 L76 Y94 Q96I19-Y70 HydrophobicContact CD1-CD2 3.7Å; I19-Y70 HydrophobicContact CD1-CE2 4.16Å; I19-Y70 HydrophobicContact CG1-CD2 4.04Å; I19-Y70 HydrophobicContact CG1-CE2 4.17Å; G20-Y70 WeakPolarHBondContact O-CE2 3.32Å; P22-Y70 HydrophobicContact CB-CE1 4.22Å; P36-Y70 HydrophobicContact CB-CD1 4.16Å; P36-Y70 HydrophobicContact CB-CE1 3.83Å; P36-Y70 HydrophobicContact CG-CD1 4.29Å; P36-Y70 HydrophobicContact CG-CE1 4.35Å; P38-Y70 WeakPolarHBondContact CD-OH 3.31Å; P38-Y70 HydrophobicContact CG-CE2 4.07Å; Y70-L76 VanDerWaalsContact CB-CD1 3.4Å; Y70-L76 HydrophobicContact CD2-CD1 4.14Å; Y70-L76 HydrophobicContact CG-CD1 3.8Å; Y70-Y94 PolarHBondContact N-OH 2.87Å; Y70-Y94 PolarHBondContact O-OH 2.82Å; Y70-Q96 PolarHBondContact O-NE2 3.42Å
71Q87.5Confident93Very high124 Ų12442.8 Ų42.858%0.57924%0.237SC*.  trans-64.8142.7168.7-64.3-57.6-33.300108.9S73Q71-S73 PolarHBondContact O-N 3.43Å; Q71-S73 PolarHBondContact O-OG 3.08Å
72P77.9Confident93.1Very high92 Ų9247.5 Ų47.560%0.59726%0.257SS*.  trans-56.2108.1171.9-20.933.7000107.4Q96P72-Q96 VanDerWaalsContact CD-OE1 3.23Å
73S79.2Confident93.2Very high37 Ų3742.2 Ų42.226%0.25923%0.234SC..  trans-123.2155.5-176.952.70000108.2Q71 H75 L76 A77Q71-S73 PolarHBondContact O-N 3.43Å; Q71-S73 PolarHBondContact O-OG 3.08Å; S73-H75 PolarHBondContact O-N 3.37Å; S73-L76 PolarHBondContact O-N 2.89Å; S73-A77 WeakPolarHBondContact O-CB 3.44Å; S73-A77 PolarHBondContact O-N 2.81Å
74D85.3Confident93.2Very high141 Ų14144 Ų4475%0.75424%0.243SC*.Hα-helixtrans-54.7-31.3179.3-65.6-17.2000111.9S78D74-S78 WeakPolarHBondContact O-CB 3.35Å; D74-S78 PolarHBondContact O-N 3.39Å; D74-S78 PolarHBondContact O-OG 2.84Å
75H91.2Very high93.1Very high75 Ų7553.6 Ų53.635%0.34728%0.279SS..Hα-helixtrans-67-50.7179-61.5-45.7000113.9Y35 P36 L39 S73 S78 F79Y35-H75 AromaticContact CD2-CD2 3.63Å; Y35-H75 AromaticContact CD2-CE1 3.87Å; Y35-H75 AromaticContact CD2-CG 3.83Å; Y35-H75 AromaticContact CD2-ND1 3.98Å; Y35-H75 AromaticContact CD2-NE2 3.64Å; Y35-H75 HydrophobicContact CE2-CB 4.05Å; Y35-H75 AromaticContact CE2-CD2 3.78Å; Y35-H75 AromaticContact CE2-CE1 3.62Å; Y35-H75 AromaticContact CE2-CG 3.47Å; Y35-H75 VanDerWaalsContact CE2-CG 3.47Å; Y35-H75 AromaticContact CE2-ND1 3.37Å; Y35-H75 WeakPolarHBondContact CE2-ND1 3.4Å; Y35-H75 AromaticContact CE2-NE2 3.85Å; P36-H75 HydrophobicContact CG-CB 4.39Å; L39-H75 HydrophobicContact CD1-CB 3.88Å; S73-H75 PolarHBondContact O-N 3.37Å; H75-S78 PolarHBondContact O-OG 3.31Å; H75-S78 VanDerWaalsContact O-OG 3.12Å; H75-F79 WeakPolarHBondContact O-CB 3.21Å; H75-F79 PolarHBondContact O-N 3.39Å
76L92.4Very high93.1Very high2 Ų257.3 Ų57.31%0.0130%0.296CS..Hα-helixtrans-69.7-40.3177.8-81.2170.1000111I19 P36 L39 Y70 S73 F79 T80 Y94I19-L76 HydrophobicContact CD1-CD1 4.23Å; I19-L76 HydrophobicContact CD1-CD2 4.18Å; P36-L76 HydrophobicContact CG-CG 4.32Å; L39-L76 HydrophobicContact CD1-CD2 3.91Å; L39-L76 HydrophobicContact CD1-CG 4.11Å; L39-L76 HydrophobicContact CD2-CD2 4.19Å; L39-L76 HydrophobicContact CG-CD2 4.09Å; Y70-L76 VanDerWaalsContact CB-CD1 3.4Å; Y70-L76 HydrophobicContact CD2-CD1 4.14Å; Y70-L76 HydrophobicContact CG-CD1 3.8Å; S73-L76 PolarHBondContact O-N 2.89Å; L76-F79 PolarHBondContact O-N 3.13Å; L76-T80 WeakPolarHBondContact O-CB 3.12Å; L76-T80 PolarHBondContact O-N 3.21Å; L76-T80 PolarHBondContact O-OG1 2.84Å; L76-Y94 HydrophobicContact CD1-CE1 4.37Å
77A93.8Very high93Very high55 Ų5559 Ų5946%0.45530%0.304SS..Hα-helixtrans-62.8-50.4178.400000111.9S73 F79 T80 V81S73-A77 WeakPolarHBondContact O-CB 3.44Å; S73-A77 PolarHBondContact O-N 2.81Å; A77-F79 VanDerWaalsContact C-N 3.32Å; A77-F79 PolarHBondContact O-N 3.23Å; A77-T80 PolarHBondContact O-N 2.84Å; A77-V81 WeakPolarHBondContact O-CG2 3.42Å; A77-V81 PolarHBondContact O-N 3.06Å
78S95Very high93Very high71 Ų7163.2 Ų63.250%0.49733%0.331SS..Hα-helixtrans-61.9-40176.860.20000112D74 H75 V81 K82D74-S78 WeakPolarHBondContact O-CB 3.35Å; D74-S78 PolarHBondContact O-N 3.39Å; D74-S78 PolarHBondContact O-OG 2.84Å; H75-S78 PolarHBondContact O-OG 3.31Å; H75-S78 VanDerWaalsContact O-OG 3.12Å; S78-V81 PolarHBondContact O-N 2.79Å; S78-K82 WeakPolarHBondContact O-CB 3.26Å; S78-K82 PolarHBondContact O-N 3.27Å
79F96.2Very high93Very high15 Ų1570.3 Ų70.37%0.06637%0.369CS..Hα-helixtrans-60.5-50.4175176-100.8000111.6L39 A46 I48 Q49 I52 L66 H75 L76 A77 V81 K82 V83L39-F79 HydrophobicContact CD1-CB 4.27Å; L39-F79 HydrophobicContact CD2-CB 3.85Å; L39-F79 HydrophobicContact CD2-CD1 3.58Å; L39-F79 HydrophobicContact CD2-CD2 3.77Å; L39-F79 HydrophobicContact CD2-CE1 4.06Å; L39-F79 HydrophobicContact CD2-CE2 4.23Å; L39-F79 HydrophobicContact CD2-CG 3.41Å; L39-F79 VanDerWaalsContact CD2-CG 3.41Å; L39-F79 HydrophobicContact CD2-CZ 4.35Å; A46-F79 HydrophobicContact CB-CD2 4.05Å; A46-F79 HydrophobicContact CB-CE2 3.54Å; A46-F79 HydrophobicContact CB-CZ 4.21Å; I48-F79 HydrophobicContact CD1-CD1 4Å; I48-F79 HydrophobicContact CD1-CE1 3.41Å; I48-F79 VanDerWaalsContact CD1-CE1 3.41Å; I48-F79 HydrophobicContact CD1-CZ 3.97Å; I48-F79 HydrophobicContact CG1-CE1 3.63Å; I48-F79 HydrophobicContact CG1-CZ 3.62Å; Q49-F79 HydrophobicContact CB-CE2 4.18Å; Q49-F79 HydrophobicContact CB-CZ 4.2Å; I52-F79 HydrophobicContact CD1-CE1 3.89Å; I52-F79 HydrophobicContact CD1-CZ 3.88Å; L66-F79 HydrophobicContact CD1-CE1 4.43Å; H75-F79 WeakPolarHBondContact O-CB 3.21Å; H75-F79 PolarHBondContact O-N 3.39Å; L76-F79 PolarHBondContact O-N 3.13Å; A77-F79 VanDerWaalsContact C-N 3.32Å; A77-F79 PolarHBondContact O-N 3.23Å; F79-V81 VanDerWaalsContact C-N 3.33Å; F79-V81 PolarHBondContact O-N 3.35Å; F79-K82 WeakPolarHBondContact O-CB 3.22Å; F79-K82 PolarHBondContact O-N 2.83Å; F79-K82 VanDerWaalsContact O-N 3.14Å; F79-V83 HydrophobicContact CD2-CG1 4.16Å; F79-V83 HydrophobicContact CE1-CG1 4Å; F79-V83 HydrophobicContact CE1-CG2 4.17Å; F79-V83 HydrophobicContact CE2-CG1 3.53Å; F79-V83 HydrophobicContact CZ-CG1 3.45Å; F79-V83 VanDerWaalsContact CZ-CG1 3.45Å; F79-V83 HydrophobicContact CZ-CG2 4.45Å; F79-V83 WeakPolarHBondContact O-CG2 3.35Å; F79-V83 PolarHBondContact O-N 3.26Å
80T95.8Very high93.2Very high21 Ų2169 Ų6913%0.12936%0.364CS..Hα-helixtrans-59.9-42.3179.2-59.90000111.6L76 A77 K82 V83 Q84 I92L76-T80 WeakPolarHBondContact O-CB 3.12Å; L76-T80 PolarHBondContact O-N 3.21Å; L76-T80 PolarHBondContact O-OG1 2.84Å; A77-T80 PolarHBondContact O-N 2.84Å; T80-K82 PolarHBondContact O-N 3.1Å; T80-V83 WeakPolarHBondContact O-CG2 3.31Å; T80-Q84 VanDerWaalsContact O-CB 3.23Å; T80-Q84 WeakPolarHBondContact O-CB 3.26Å; T80-Q84 PolarHBondContact O-N 3.4Å; T80-I92 VanDerWaalsContact CG2-O 3.26Å; T80-I92 WeakPolarHBondContact CG2-O 3.4Å
81V96.5Very high93.4Very high75 Ų7571 Ų7146%0.45538%0.376SS..Hα-helixtrans-62.2-43.3174.9171.70000111.6A77 S78 F79 R85A77-V81 WeakPolarHBondContact O-CG2 3.42Å; A77-V81 PolarHBondContact O-N 3.06Å; S78-V81 PolarHBondContact O-N 2.79Å; F79-V81 VanDerWaalsContact C-N 3.33Å; F79-V81 PolarHBondContact O-N 3.35Å; V81-R85 WeakPolarHBondContact O-CG 3.49Å; V81-R85 PolarHBondContact O-N 3.28Å
82K96.7Very high93.9Very high107 Ų10765.3 Ų65.347%0.46535%0.35SS..Hα-helixtrans-60-55177.9-178.8-165.4172.1-165.10111S78 F79 T80 Q84 R85 E86S78-K82 WeakPolarHBondContact O-CB 3.26Å; S78-K82 PolarHBondContact O-N 3.27Å; F79-K82 WeakPolarHBondContact O-CB 3.22Å; F79-K82 PolarHBondContact O-N 2.83Å; F79-K82 VanDerWaalsContact O-N 3.14Å; T80-K82 PolarHBondContact O-N 3.1Å; K82-Q84 VanDerWaalsContact C-N 3.3Å; K82-Q84 PolarHBondContact O-N 2.92Å; K82-R85 WeakPolarHBondContact O-CB 3.5Å; K82-R85 PolarHBondContact O-N 3.4Å; K82-R85 VanDerWaalsContact O-N 3.16Å; K82-E86 PolarHBondContact O-N 2.82Å; K82-E86 VanDerWaalsContact O-N 3.13Å
83V97.5Very high94.8Very high0 Ų065.6 Ų65.60%034%0.339CS..Hα-helixtrans-68.6-29.7-176.5-61.50000112.6I52 F79 T80 R85 E86 F87 I92I52-V83 HydrophobicContact CD1-CB 4.36Å; I52-V83 HydrophobicContact CD1-CG1 4.28Å; I52-V83 HydrophobicContact CD1-CG2 4.09Å; F79-V83 HydrophobicContact CD2-CG1 4.16Å; F79-V83 HydrophobicContact CE1-CG1 4Å; F79-V83 HydrophobicContact CE1-CG2 4.17Å; F79-V83 HydrophobicContact CE2-CG1 3.53Å; F79-V83 HydrophobicContact CZ-CG1 3.45Å; F79-V83 VanDerWaalsContact CZ-CG1 3.45Å; F79-V83 HydrophobicContact CZ-CG2 4.45Å; F79-V83 WeakPolarHBondContact O-CG2 3.35Å; F79-V83 PolarHBondContact O-N 3.26Å; T80-V83 WeakPolarHBondContact O-CG2 3.31Å; V83-R85 VanDerWaalsContact C-N 3.3Å; V83-R85 PolarHBondContact O-N 3.18Å; V83-E86 PolarHBondContact O-N 2.78Å; V83-F87 HydrophobicContact CB-CD2 4.41Å; V83-F87 WeakPolarHBondContact O-CD2 3.32Å; V83-F87 PolarHBondContact O-N 3.07Å; V83-I92 HydrophobicContact CB-CD1 4.14Å; V83-I92 HydrophobicContact CG2-CB 4.42Å; V83-I92 HydrophobicContact CG2-CD1 3.84Å; V83-I92 HydrophobicContact CG2-CG2 3.97Å
84Q97.8Very high95.6Very high50 Ų5066 Ų6623%0.23434%0.335CS..Hα-helixtrans-64.7-35173.4-176.359.978.400112.3T80 K82 F87 P88 V90T80-Q84 VanDerWaalsContact O-CB 3.23Å; T80-Q84 WeakPolarHBondContact O-CB 3.26Å; T80-Q84 PolarHBondContact O-N 3.4Å; K82-Q84 VanDerWaalsContact C-N 3.3Å; K82-Q84 PolarHBondContact O-N 2.92Å; Q84-F87 PolarHBondContact NE2-O 2.69Å; Q84-F87 CarbonylContact O-C 2.98Å; Q84-P88 WeakPolarHBondContact O-CA 3.44Å; Q84-V90 PolarHBondContact NE2-O 2.78Å; Q84-V90 PolarHBondContact OE1-O 3.28Å
85R97.7Very high96.1Very high201 Ų20160 Ų6076%0.75830%0.303SS*.Hα-helixtrans-71.6-35.1174.1-69.8175.7-175.1-179.32.1112.1V81 K82 V83V81-R85 WeakPolarHBondContact O-CG 3.49Å; V81-R85 PolarHBondContact O-N 3.28Å; K82-R85 WeakPolarHBondContact O-CB 3.5Å; K82-R85 PolarHBondContact O-N 3.4Å; K82-R85 VanDerWaalsContact O-N 3.16Å; V83-R85 VanDerWaalsContact C-N 3.3Å; V83-R85 PolarHBondContact O-N 3.18Å
86E97Very high96.3Very high79 Ų7959.8 Ų59.837%0.36930%0.302SS..Hα-helixtrans-71.8-34.2178.7-164.2173.3164.600111.9Q49 K82 V83 P88Q49-E86 PolarHBondContact NE2-OE1 3.2Å; Q49-E86 PolarHBondContact NE2-OE2 3.5Å; K82-E86 PolarHBondContact O-N 2.82Å; K82-E86 VanDerWaalsContact O-N 3.13Å; V83-E86 PolarHBondContact O-N 2.78Å; E86-P88 WeakPolarHBondContact O-CD 3.24Å
87F97.5Very high96.4Very high35 Ų3560 Ų6015%0.15430%0.303CS..  trans-125.370.7-179-51.8-67.8000111.5I52 E53 V56 V83 Q84 D89 V90 I92I52-F87 HydrophobicContact CG2-CD2 3.71Å; I52-F87 HydrophobicContact CG2-CE2 3.8Å; E53-F87 HydrophobicContact CG-CE1 4.49Å; E53-F87 HydrophobicContact CG-CE2 4.33Å; E53-F87 HydrophobicContact CG-CZ 3.67Å; V56-F87 HydrophobicContact CB-CD1 4.33Å; V56-F87 HydrophobicContact CG1-CB 4.1Å; V56-F87 HydrophobicContact CG1-CD1 4.07Å; V56-F87 HydrophobicContact CG1-CD2 4.46Å; V56-F87 HydrophobicContact CG1-CG 3.94Å; V56-F87 HydrophobicContact CG2-CD1 3.92Å; V56-F87 HydrophobicContact CG2-CE1 3.95Å; V83-F87 HydrophobicContact CB-CD2 4.41Å; V83-F87 WeakPolarHBondContact O-CD2 3.32Å; V83-F87 PolarHBondContact O-N 3.07Å; Q84-F87 PolarHBondContact NE2-O 2.69Å; Q84-F87 CarbonylContact O-C 2.98Å; F87-D89 VanDerWaalsContact C-N 3.26Å; F87-D89 PolarHBondContact O-N 2.87Å; F87-V90 PolarHBondContact O-N 3.05Å; F87-V90 VanDerWaalsContact O-O 3.07Å; F87-I92 HydrophobicContact CB-CD1 4.34Å; F87-I92 HydrophobicContact CD2-CD1 4.33Å
88P96.8Very high96.4Very high90 Ų9063 Ų6358%0.58430%0.303SS*.THydrogen-bonded Turntrans-66.5-23.4-172.627.2-35.7000114.2Q84 E86 V90Q84-P88 WeakPolarHBondContact O-CA 3.44Å; E86-P88 WeakPolarHBondContact O-CD 3.24Å; P88-V90 VanDerWaalsContact C-N 3.29Å; P88-V90 PolarHBondContact O-N 3.12Å
89D95.8Very high96.2Very high149 Ų14960.6 Ų60.680%0.79729%0.288SS*.THydrogen-bonded Turntrans-80.5-8-177.8-61.6-43.7000113.9F87F87-D89 VanDerWaalsContact C-N 3.26Å; F87-D89 PolarHBondContact O-N 2.87Å
90V97.1Very high95.9Very high10 Ų1062.8 Ų62.86%0.06130%0.303CS..SBendtrans-122.5124.8179.3-178.80000108.6V56 L61 I64 Q84 F87 P88 I92V56-V90 HydrophobicContact CB-CG2 4.49Å; V56-V90 HydrophobicContact CG1-CB 4.34Å; V56-V90 HydrophobicContact CG1-CG2 4.07Å; L61-V90 HydrophobicContact CD2-CG1 4.27Å; I64-V90 HydrophobicContact CD1-CG1 3.98Å; I64-V90 HydrophobicContact CG1-CG1 3.82Å; Q84-V90 PolarHBondContact NE2-O 2.78Å; Q84-V90 PolarHBondContact OE1-O 3.28Å; F87-V90 PolarHBondContact O-N 3.05Å; F87-V90 VanDerWaalsContact O-O 3.07Å; P88-V90 VanDerWaalsContact C-N 3.29Å; P88-V90 PolarHBondContact O-N 3.12Å; V90-I92 HydrophobicContact CG1-CG1 4.41Å; V90-I92 PolarHBondContact O-N 2.96Å
91N97.3Very high95.8Very high63 Ų6361.9 Ų61.934%0.33730%0.298SS..EExtended strand (participates in β ladder)trans-73.7124.3176.6-174.829.8000109.9K62 E63 I64 R93K62-N91 PolarHBondContact O-N 2.96Å; E63-N91 CarbonylContact C-O 3.58Å; E63-N91 WeakPolarHBondContact CA-O 3.46Å; E63-N91 HydrophobicContact CB-CB 4.3Å; E63-N91 HydrophobicContact CG-CB 4.17Å; E63-N91 WeakPolarHBondContact CG-O 3.43Å; E63-N91 PolarHBondContact OE1-ND2 2.95Å; I64-N91 PolarHBondContact N-O 3.16Å; N91-R93 PolarHBondContact ND2-NE 3.5Å
92I98.1Very high95.6Very high3 Ų359.5 Ų59.52%0.01529%0.289CS..EExtended strand (participates in β ladder)trans-121.1117.8-178.4-53.1176.1000109.1I52 I64 T80 V83 F87 V90I52-I92 HydrophobicContact CG2-CD1 3.87Å; I64-I92 HydrophobicContact CB-CG1 4.31Å; I64-I92 HydrophobicContact CB-CG2 4.49Å; I64-I92 HydrophobicContact CD1-CG1 4.47Å; I64-I92 WeakPolarHBondContact O-CA 3.39Å; T80-I92 VanDerWaalsContact CG2-O 3.26Å; T80-I92 WeakPolarHBondContact CG2-O 3.4Å; V83-I92 HydrophobicContact CB-CD1 4.14Å; V83-I92 HydrophobicContact CG2-CB 4.42Å; V83-I92 HydrophobicContact CG2-CD1 3.84Å; V83-I92 HydrophobicContact CG2-CG2 3.97Å; F87-I92 HydrophobicContact CB-CD1 4.34Å; F87-I92 HydrophobicContact CD2-CD1 4.33Å; V90-I92 HydrophobicContact CG1-CG1 4.41Å; V90-I92 PolarHBondContact O-N 2.96Å
93R95.6Very high95.4Very high98 Ų9856 Ų5637%0.3728%0.276SS..EExtended strand (participates in β ladder)trans-138.8151.5-175.7-59.5-172.6-65.2158.61.4112.5E63 I64 L65 L66 N91E63-R93 IonicContact OE1-CZ 3.61Å; E63-R93 VanDerWaalsContact OE1-CZ 3.3Å; E63-R93 IonicContact OE1-NE 2.69Å; E63-R93 PolarHBondContact OE1-NE 2.89Å; E63-R93 VanDerWaalsContact OE1-NE 3.12Å; E63-R93 IonicContact OE1-NH2 3.3Å; E63-R93 PolarHBondContact OE1-NH2 2.78Å; I64-R93 PolarHBondContact O-N 3.41Å; I64-R93 VanDerWaalsContact O-N 3.07Å; L65-R93 WeakPolarHBondContact CA-O 3.16Å; L65-R93 HydrophobicContact CD2-CB 4.44Å; L66-R93 PolarHBondContact N-O 2.86Å; N91-R93 PolarHBondContact ND2-NE 3.5Å
94Y96.1Very high95.3Very high47 Ų4756 Ų5618%0.18428%0.276CS..EExtended strand (participates in β ladder)trans-98.2128.1174.1175.9-128.6000110.9I19 L66 G68 Y70 L76 Q96I19-Y94 HydrophobicContact CD1-CD2 3.93Å; I19-Y94 HydrophobicContact CD1-CE2 3.6Å; I19-Y94 HydrophobicContact CG1-CE2 4.37Å; L66-Y94 HydrophobicContact CB-CD2 4.02Å; L66-Y94 WeakPolarHBondContact O-CA 3.02Å; L66-Y94 VanDerWaalsContact O-CD2 3.26Å; L66-Y94 WeakPolarHBondContact O-CD2 3.37Å; G68-Y94 PolarHBondContact O-OH 2.82Å; Y70-Y94 PolarHBondContact N-OH 2.87Å; Y70-Y94 PolarHBondContact O-OH 2.82Å; L76-Y94 HydrophobicContact CD1-CE1 4.37Å; Y94-Q96 HydrophobicContact CE1-CB 3.79Å; Y94-Q96 HydrophobicContact CE1-CG 4.37Å
95L96.1Very high95.1Very high15 Ų1553.7 Ų53.78%0.07927%0.266CS..EExtended strand (participates in β ladder)trans-110.5110173.4-55.4-172.6000109L65 L66 V67 G68 F110 Q113L65-L95 HydrophobicContact CB-CD1 4.24Å; L65-L95 HydrophobicContact CD1-CD1 4Å; L65-L95 HydrophobicContact CD2-CD1 4.02Å; L65-L95 HydrophobicContact CD2-CG 4.2Å; L65-L95 HydrophobicContact CG-CD1 4.3Å; L66-L95 PolarHBondContact O-N 3.01Å; V67-L95 HydrophobicContact CG2-CB 4.17Å; V67-L95 HydrophobicContact CG2-CD1 4.32Å; G68-L95 PolarHBondContact N-O 2.88Å; L95-F110 HydrophobicContact CB-CD1 4.25Å; L95-F110 HydrophobicContact CB-CD2 3.93Å; L95-F110 HydrophobicContact CB-CE1 4.1Å; L95-F110 HydrophobicContact CB-CE2 3.76Å; L95-F110 HydrophobicContact CB-CG 4.18Å; L95-F110 HydrophobicContact CB-CZ 3.86Å; L95-F110 HydrophobicContact CD1-CB 3.84Å; L95-F110 HydrophobicContact CD1-CD1 3.98Å; L95-F110 HydrophobicContact CD1-CD2 4.13Å; L95-F110 HydrophobicContact CD1-CG 3.72Å; L95-Q113 HydrophobicContact CD1-CB 4.45Å
96Q95.9Very high95Very high70 Ų7044.2 Ų44.233%0.32723%0.231SC..EExtended strand (participates in β ladder)trans-82.9116.8-177.9-179.9-178.64.200111G68 Y70 P72 Y94 F110G68-Q96 WeakPolarHBondContact O-CA 2.88Å; Y70-Q96 PolarHBondContact O-NE2 3.42Å; P72-Q96 VanDerWaalsContact CD-OE1 3.23Å; Y94-Q96 HydrophobicContact CE1-CB 3.79Å; Y94-Q96 HydrophobicContact CE1-CG 4.37Å; Q96-F110 WeakPolarHBondContact O-CZ 3.47Å
97E95.1Very high95Very high7 Ų740.6 Ų40.63%0.03321%0.214CC..  trans-64.1147.7168.3-59.4178.5139.700110.3V67 G68 F69 A99 L101 G106 F110V67-E97 HydrophobicContact CG1-CG 4.09Å; G68-E97 PolarHBondContact O-N 2.98Å; F69-E97 HydrophobicContact CB-CB 4.31Å; F69-E97 VanDerWaalsContact CD2-O 3.25Å; F69-E97 WeakPolarHBondContact CD2-O 3.44Å; E97-A99 VanDerWaalsContact CB-O 3.25Å; E97-A99 WeakPolarHBondContact CB-O 3.31Å; E97-L101 HydrophobicContact CB-CD1 4.29Å; E97-L101 HydrophobicContact CB-CG 4.31Å; E97-L101 HydrophobicContact CG-CD1 4.28Å; E97-L101 HydrophobicContact CG-CG 4.46Å; E97-G106 WeakPolarHBondContact OE1-CA 3.24Å; E97-G106 PolarHBondContact OE1-N 2.9Å; E97-F110 HydrophobicContact CG-CE2 4.06Å
98Y91.9Very high94.9Very high117 Ų11740.5 Ų40.546%0.45921%0.213SC..SBendtrans-80.9-21.2175.958.9-84.4000112.7F69 L101 H109 E230F69-Y98 WeakPolarHBondContact CE2-O 3.29Å; Y98-L101 HydrophobicContact CD1-CD1 4.32Å; Y98-L101 HydrophobicContact CE1-CD1 3.64Å; Y98-L101 HydrophobicContact CE1-CD2 3.97Å; Y98-L101 HydrophobicContact CE1-CG 4.33Å; Y98-L101 HydrophobicContact CE2-CD2 4Å; Y98-L101 WeakPolarHBondContact OH-CD2 3.41Å; Y98-H109 AromaticContact CD1-CE1 3.83Å; Y98-H109 AromaticContact CD1-NE2 3.88Å; Y98-H109 AromaticContact CE1-CE1 3.47Å; Y98-H109 VanDerWaalsContact CE1-CE1 3.47Å; Y98-H109 WeakPolarHBondContact CE1-CE1 3.47Å; Y98-H109 AromaticContact CE1-ND1 3.6Å; Y98-H109 AromaticContact CE1-NE2 3.88Å; Y98-E230 WeakPolarHBondContact CE2-OE2 3.48Å; Y98-E230 VanDerWaalsContact CZ-OE2 3.28Å; Y98-E230 VanDerWaalsContact OH-CD 3.3Å; Y98-E230 PolarHBondContact OH-OE2 3.13Å
99A92Very high94.9Very high21 Ų2140 Ų4017%0.17420%0.203CC..SBendtrans-148.217017600000109.5E97 L101E97-A99 VanDerWaalsContact CB-O 3.25Å; E97-A99 WeakPolarHBondContact CB-O 3.31Å; A99-L101 HydrophobicContact CB-CD2 4.19Å; A99-L101 WeakPolarHBondContact O-CG 3.46Å; A99-L101 PolarHBondContact O-N 3.43Å
100P90.4Very high95Very high60 Ų6033.7 Ų33.739%0.3917%0.168SC..  trans-68.386.9173.4-17.931000112.7F69 G102F69-P100 HydrophobicContact CD1-CG 3.66Å; F69-P100 HydrophobicContact CE1-CG 3.93Å; F69-P100 HydrophobicContact CG-CG 4.32Å; P100-G102 PolarHBondContact O-N 3.13Å; P100-G102 VanDerWaalsContact O-N 3.13Å
101L93.4Very high95Very high3 Ų336.9 Ų36.92%0.01618%0.179CC..  trans-78.87.4-171.9-55.1-179.6000115E97 Y98 A99 G105 H109 E230 A231 M232E97-L101 HydrophobicContact CB-CD1 4.29Å; E97-L101 HydrophobicContact CB-CG 4.31Å; E97-L101 HydrophobicContact CG-CD1 4.28Å; E97-L101 HydrophobicContact CG-CG 4.46Å; Y98-L101 HydrophobicContact CD1-CD1 4.32Å; Y98-L101 HydrophobicContact CE1-CD1 3.64Å; Y98-L101 HydrophobicContact CE1-CD2 3.97Å; Y98-L101 HydrophobicContact CE1-CG 4.33Å; Y98-L101 HydrophobicContact CE2-CD2 4Å; Y98-L101 WeakPolarHBondContact OH-CD2 3.41Å; A99-L101 HydrophobicContact CB-CD2 4.19Å; A99-L101 WeakPolarHBondContact O-CG 3.46Å; A99-L101 PolarHBondContact O-N 3.43Å; L101-G105 WeakPolarHBondContact O-CA 3.17Å; L101-G105 PolarHBondContact O-N 3.2Å; L101-H109 HydrophobicContact CD1-CB 3.81Å; L101-E230 HydrophobicContact CD2-CB 4.48Å; L101-A231 CarbonylContact O-C 3.57Å; L101-A231 WeakPolarHBondContact O-CA 3.39Å; L101-M232 PolarHBondContact O-N 3.04Å
102G91.8Very high95Very high25 Ų2538.6 Ų38.626%0.25819%0.188SC..Hα-helixtrans80.3-164.4-179.100000113.2P100 M232P100-G102 PolarHBondContact O-N 3.13Å; P100-G102 VanDerWaalsContact O-N 3.13Å; G102-M232 CarbonylContact C-O 3.39Å; G102-M232 WeakPolarHBondContact CA-O 3.44Å
103T92.6Very high94.9Very high33 Ų3341.8 Ų41.820%0.20220%0.203CC..Hα-helixtrans-82.6-22.2-176.151.90000113.1I18 M232 C233 F234 E235I18-T103 WeakPolarHBondContact CD1-O 3.44Å; T103-M232 PolarHBondContact N-O 2.85Å; T103-C233 VanDerWaalsContact OG1-CA 3.29Å; T103-C233 WeakPolarHBondContact OG1-CA 3.46Å; T103-F234 WeakPolarHBondContact O-CD2 3.14Å; T103-F234 WeakPolarHBondContact O-CE2 3.44Å; T103-F234 PolarHBondContact OG1-N 3.09Å; T103-E235 PolarHBondContact OG1-OE2 3.4Å
104A94.4Very high95Very high0 Ų037.1 Ų37.10%019%0.185CC..Hα-helixtrans-113.9-22.3-179.600000113.6I107 Y108 L208 M232 F234 V238A104-I107 WeakPolarHBondContact O-CB 3.27Å; A104-I107 PolarHBondContact O-N 3.31Å; A104-Y108 PolarHBondContact O-N 2.82Å; A104-L208 HydrophobicContact CB-CD2 4.19Å; A104-M232 HydrophobicContact CB-CB 3.98Å; A104-M232 PolarHBondContact N-O 3.2Å; A104-F234 HydrophobicContact CB-CD1 3.75Å; A104-F234 HydrophobicContact CB-CD2 3.93Å; A104-F234 HydrophobicContact CB-CE1 3.8Å; A104-F234 HydrophobicContact CB-CE2 3.99Å; A104-F234 HydrophobicContact CB-CG 3.79Å; A104-F234 HydrophobicContact CB-CZ 3.91Å; A104-V238 HydrophobicContact CB-CG2 4.05Å
105G94.9Very high94.9Very high2 Ų237.8 Ų37.82%0.02119%0.192CC..Hα-helixtrans-65.6-43.3-175.300000113L101 I107 Y108 H109 M232L101-G105 WeakPolarHBondContact O-CA 3.17Å; L101-G105 PolarHBondContact O-N 3.2Å; G105-I107 VanDerWaalsContact C-N 3.3Å; G105-I107 PolarHBondContact O-N 2.87Å; G105-Y108 PolarHBondContact O-N 2.87Å; G105-Y108 VanDerWaalsContact O-N 3.15Å; G105-H109 VanDerWaalsContact O-CB 3.31Å; G105-H109 WeakPolarHBondContact O-CB 3.22Å; G105-H109 PolarHBondContact O-N 2.78Å; G105-M232 PolarHBondContact N-O 2.83Å
106G95.5Very high94.8Very high2 Ų242.3 Ų42.32%0.02122%0.215CC..Hα-helixtrans-59.8-38.9173.700000113.2E97 Y108 H109 F110E97-G106 WeakPolarHBondContact OE1-CA 3.24Å; E97-G106 PolarHBondContact OE1-N 2.9Å; G106-Y108 PolarHBondContact O-N 2.66Å; G106-H109 PolarHBondContact O-N 2.76Å; G106-F110 VanDerWaalsContact O-CD2 3.26Å; G106-F110 WeakPolarHBondContact O-CD2 3.49Å; G106-F110 PolarHBondContact O-N 3.37Å
107I95.8Very high94.4Very high2 Ų242.2 Ų42.21%0.0123%0.233CC..Hα-helixtrans-60.9-46.6175.1-53-56.6000110.3V16 I18 A104 G105 R111 I114 F122 V124 F205 L208 F234V16-I107 HydrophobicContact CB-CD1 3.9Å; V16-I107 HydrophobicContact CG1-CD1 3.38Å; V16-I107 HydrophobicContact CG2-CD1 4.23Å; I18-I107 HydrophobicContact CD1-CD1 4.34Å; I18-I107 HydrophobicContact CD1-CG1 4.48Å; I18-I107 HydrophobicContact CG1-CD1 4.17Å; A104-I107 WeakPolarHBondContact O-CB 3.27Å; A104-I107 PolarHBondContact O-N 3.31Å; G105-I107 VanDerWaalsContact C-N 3.3Å; G105-I107 PolarHBondContact O-N 2.87Å; I107-R111 PolarHBondContact O-N 2.9Å; I107-I114 HydrophobicContact CG2-CD1 4.13Å; I107-I114 WeakPolarHBondContact O-CD1 3.37Å; I107-F122 HydrophobicContact CG2-CE2 4.11Å; I107-F122 HydrophobicContact CG2-CZ 4.24Å; I107-V124 HydrophobicContact CD1-CG1 4.21Å; I107-V124 HydrophobicContact CD1-CG2 4.4Å; I107-F205 HydrophobicContact CG2-CE1 3.92Å; I107-F205 HydrophobicContact CG2-CZ 4.45Å; I107-L208 HydrophobicContact CG2-CD1 4.21Å; I107-F234 HydrophobicContact CB-CZ 4.37Å; I107-F234 HydrophobicContact CG1-CE2 3.92Å; I107-F234 HydrophobicContact CG1-CZ 3.95Å; I107-F234 HydrophobicContact CG2-CZ 4.48Å
108Y96.6Very high93.9Very high34 Ų3444.6 Ų44.613%0.13326%0.259CS..Hα-helixtrans-70.5-37.7179.3-177-114.5000113.3A104 G105 G106 R111 L208 A209 F212 M232A104-Y108 PolarHBondContact O-N 2.82Å; G105-Y108 PolarHBondContact O-N 2.87Å; G105-Y108 VanDerWaalsContact O-N 3.15Å; G106-Y108 PolarHBondContact O-N 2.66Å; Y108-R111 WeakPolarHBondContact O-CB 3.39Å; Y108-R111 WeakPolarHBondContact O-CD 3.49Å; Y108-R111 VanDerWaalsContact O-CG 3.29Å; Y108-R111 WeakPolarHBondContact O-CG 3.26Å; Y108-R111 PolarHBondContact O-N 3.12Å; Y108-R111 PolarHBondContact O-NH1 2.66Å; Y108-L208 HydrophobicContact CD2-CB 3.6Å; Y108-L208 HydrophobicContact CE2-CB 4.28Å; Y108-L208 HydrophobicContact CG-CB 4.19Å; Y108-A209 HydrophobicContact CE2-CB 3.79Å; Y108-A209 WeakPolarHBondContact OH-CA 3.03Å; Y108-F212 HydrophobicContact CD1-CB 4.17Å; Y108-F212 AromaticContact CD1-CD2 3.91Å; Y108-F212 HydrophobicContact CD1-CD2 3.91Å; Y108-F212 HydrophobicContact CD1-CE2 4.48Å; Y108-F212 HydrophobicContact CD1-CG 4.02Å; Y108-F212 HydrophobicContact CE1-CB 3.72Å; Y108-F212 AromaticContact CE1-CD1 3.84Å; Y108-F212 HydrophobicContact CE1-CD1 3.84Å; Y108-F212 AromaticContact CE1-CD2 3.82Å; Y108-F212 HydrophobicContact CE1-CD2 3.82Å; Y108-F212 HydrophobicContact CE1-CE1 4.4Å; Y108-F212 HydrophobicContact CE1-CE2 4.37Å; Y108-F212 AromaticContact CE1-CG 3.51Å; Y108-F212 HydrophobicContact CE1-CG 3.51Å; Y108-M232 VanDerWaalsContact CB-CE 3.49Å; Y108-M232 HydrophobicContact CD1-CE 3.64Å; Y108-M232 HydrophobicContact CG-CE 3.67Å
109H96.6Very high93.8Very high80 Ų8039.8 Ų39.837%0.3724%0.241SC..Hα-helixtrans-63.9-46.5178.7179.572.6000111.3Y98 L101 G105 G106 R111Y98-H109 AromaticContact CD1-CE1 3.83Å; Y98-H109 AromaticContact CD1-NE2 3.88Å; Y98-H109 AromaticContact CE1-CE1 3.47Å; Y98-H109 VanDerWaalsContact CE1-CE1 3.47Å; Y98-H109 WeakPolarHBondContact CE1-CE1 3.47Å; Y98-H109 AromaticContact CE1-ND1 3.6Å; Y98-H109 AromaticContact CE1-NE2 3.88Å; L101-H109 HydrophobicContact CD1-CB 3.81Å; G105-H109 VanDerWaalsContact O-CB 3.31Å; G105-H109 WeakPolarHBondContact O-CB 3.22Å; G105-H109 PolarHBondContact O-N 2.78Å; G106-H109 PolarHBondContact O-N 2.76Å; H109-R111 VanDerWaalsContact C-N 3.31Å; H109-R111 PolarHBondContact O-N 2.83Å
110F97.5Very high93.6Very high15 Ų1542.1 Ų42.17%0.06625%0.251CS..THydrogen-bonded Turntrans-88.714.5179.3-63.7-60.6000114.4V67 L95 Q96 E97 G106 D112 Q113 I114V67-F110 HydrophobicContact CG1-CD2 3.92Å; V67-F110 HydrophobicContact CG1-CE2 4.06Å; V67-F110 HydrophobicContact CG2-CD2 4.2Å; L95-F110 HydrophobicContact CB-CD1 4.25Å; L95-F110 HydrophobicContact CB-CD2 3.93Å; L95-F110 HydrophobicContact CB-CE1 4.1Å; L95-F110 HydrophobicContact CB-CE2 3.76Å; L95-F110 HydrophobicContact CB-CG 4.18Å; L95-F110 HydrophobicContact CB-CZ 3.86Å; L95-F110 HydrophobicContact CD1-CB 3.84Å; L95-F110 HydrophobicContact CD1-CD1 3.98Å; L95-F110 HydrophobicContact CD1-CD2 4.13Å; L95-F110 HydrophobicContact CD1-CG 3.72Å; Q96-F110 WeakPolarHBondContact O-CZ 3.47Å; E97-F110 HydrophobicContact CG-CE2 4.06Å; G106-F110 VanDerWaalsContact O-CD2 3.26Å; G106-F110 WeakPolarHBondContact O-CD2 3.49Å; G106-F110 PolarHBondContact O-N 3.37Å; F110-D112 PolarHBondContact O-N 2.92Å; F110-D112 VanDerWaalsContact O-N 3.12Å; F110-Q113 PolarHBondContact O-N 2.98Å; F110-I114 HydrophobicContact CB-CD1 4.4Å; F110-I114 WeakPolarHBondContact O-CG1 3.35Å; F110-I114 PolarHBondContact O-N 2.71Å
111R96.9Very high93.6Very high78 Ų7839.2 Ų39.229%0.29423%0.232SC..Hα-helixtrans-50.3-41.6-175.469.6-171.1178.4-77.6-9.8113.4I107 Y108 H109 Q113 I114 L115 F205I107-R111 PolarHBondContact O-N 2.9Å; Y108-R111 WeakPolarHBondContact O-CB 3.39Å; Y108-R111 WeakPolarHBondContact O-CD 3.49Å; Y108-R111 VanDerWaalsContact O-CG 3.29Å; Y108-R111 WeakPolarHBondContact O-CG 3.26Å; Y108-R111 PolarHBondContact O-N 3.12Å; Y108-R111 PolarHBondContact O-NH1 2.66Å; H109-R111 VanDerWaalsContact C-N 3.31Å; H109-R111 PolarHBondContact O-N 2.83Å; R111-Q113 PolarHBondContact O-N 2.76Å; R111-I114 PolarHBondContact O-N 2.85Å; R111-L115 WeakPolarHBondContact O-CB 3.42Å; R111-L115 VanDerWaalsContact O-CG 3.26Å; R111-L115 WeakPolarHBondContact O-CG 3.27Å; R111-L115 PolarHBondContact O-N 2.93Å; R111-F205 HydrophobicContact CB-CD1 3.37Å; R111-F205 HydrophobicContact CB-CE1 3.46Å; R111-F205 VanDerWaalsContact CB-CE1 3.46Å; R111-F205 HydrophobicContact CB-CG 4.07Å; R111-F205 HydrophobicContact CB-CZ 4.22Å
112D96.8Very high93.6Very high98 Ų9839.1 Ų39.152%0.52423%0.232SC..Hα-helixtrans-64-45.6-177.2-61.8-24.9000109.7F110 I114 L115 L116F110-D112 PolarHBondContact O-N 2.92Å; F110-D112 VanDerWaalsContact O-N 3.12Å; D112-I114 PolarHBondContact O-N 2.91Å; D112-L115 PolarHBondContact O-N 2.84Å; D112-L116 WeakPolarHBondContact O-CG 3.42Å; D112-L116 PolarHBondContact O-N 2.94Å; D112-L116 VanDerWaalsContact O-N 3.09Å
113Q96.9Very high93.8Very high70 Ų7037.9 Ų37.933%0.32722%0.219SC..Hα-helixtrans-65.5-38.4177-58.9-17626.400112.4K14 L95 F110 R111K14-Q113 PolarHBondContact NZ-O 3.39Å; K14-Q113 VanDerWaalsContact NZ-O 3.16Å; L95-Q113 HydrophobicContact CD1-CB 4.45Å; F110-Q113 PolarHBondContact O-N 2.98Å; R111-Q113 PolarHBondContact O-N 2.76Å
114I96.8Very high93.9Very high0 Ų036.3 Ų36.30%021%0.21CC..Hα-helixtrans-62.6-47.5174.9-63164.1000109.4K14 V16 L65 I107 F110 R111 D112 L116 L119 F122 F205K14-I114 VanDerWaalsContact CD-O 3.26Å; K14-I114 WeakPolarHBondContact CD-O 3.41Å; K14-I114 WeakPolarHBondContact CE-O 3.4Å; K14-I114 PolarHBondContact NZ-O 2.46Å; V16-I114 HydrophobicContact CG2-CD1 3.92Å; V16-I114 HydrophobicContact CG2-CG1 4.07Å; L65-I114 HydrophobicContact CD1-CB 4.44Å; L65-I114 HydrophobicContact CD1-CG1 3.71Å; I107-I114 HydrophobicContact CG2-CD1 4.13Å; I107-I114 WeakPolarHBondContact O-CD1 3.37Å; F110-I114 HydrophobicContact CB-CD1 4.4Å; F110-I114 WeakPolarHBondContact O-CG1 3.35Å; F110-I114 PolarHBondContact O-N 2.71Å; R111-I114 PolarHBondContact O-N 2.85Å; D112-I114 PolarHBondContact O-N 2.91Å; I114-L116 VanDerWaalsContact C-N 3.33Å; I114-L116 PolarHBondContact O-N 2.69Å; I114-L119 HydrophobicContact CG2-CD2 3.83Å; I114-F122 HydrophobicContact CG2-CD1 4.38Å; I114-F122 HydrophobicContact CG2-CD2 4.14Å; I114-F122 HydrophobicContact CG2-CE2 4.34Å; I114-F122 HydrophobicContact CG2-CG 4.15Å; I114-F205 HydrophobicContact CB-CZ 4.01Å; I114-F205 HydrophobicContact CD1-CE1 4.29Å; I114-F205 HydrophobicContact CD1-CZ 4.1Å; I114-F205 HydrophobicContact CG2-CE2 4.28Å; I114-F205 HydrophobicContact CG2-CZ 3.77Å
115L95.3Very high94Very high61 Ų6136.3 Ų36.332%0.31921%0.21SC..Hα-helixtrans-71-18.4-176.7-72.8167.9000115R111 D112 G117 L119 T202 F205R111-L115 WeakPolarHBondContact O-CB 3.42Å; R111-L115 VanDerWaalsContact O-CG 3.26Å; R111-L115 WeakPolarHBondContact O-CG 3.27Å; R111-L115 PolarHBondContact O-N 2.93Å; D112-L115 PolarHBondContact O-N 2.84Å; L115-G117 PolarHBondContact O-N 3.48Å; L115-L119 HydrophobicContact CD2-CD2 4.42Å; L115-T202 HydrophobicContact CD2-CG2 3.6Å; L115-F205 HydrophobicContact CD1-CD2 3.83Å; L115-F205 HydrophobicContact CD1-CE2 4.18Å; L115-F205 HydrophobicContact CD1-CG 4.33Å; L115-F205 HydrophobicContact CD2-CD2 3.73Å; L115-F205 HydrophobicContact CD2-CE2 3.67Å; L115-F205 HydrophobicContact CG-CD2 3.85Å; L115-F205 HydrophobicContact CG-CE2 3.71Å; L115-F205 HydrophobicContact CG-CZ 4.49Å
116L93.7Very high94Very high111 Ų11137.1 Ų37.158%0.58121%0.213SC*.THydrogen-bonded Turntrans-53.6137.2179.8-75176.2000112.6K14 D112 I114K14-L116 WeakPolarHBondContact CE-O 3.31Å; K14-L116 PolarHBondContact NZ-O 3.44Å; D112-L116 WeakPolarHBondContact O-CG 3.42Å; D112-L116 PolarHBondContact O-N 2.94Å; D112-L116 VanDerWaalsContact O-N 3.09Å; I114-L116 VanDerWaalsContact C-N 3.33Å; I114-L116 PolarHBondContact O-N 2.69Å
117G87.8Confident94Very high67 Ų6737.2 Ų37.269%0.69121%0.214SC*.THydrogen-bonded Turntrans90.819.8170.300000116L115L115-G117 PolarHBondContact O-N 3.48Å
118G85.2Confident93.8Very high57 Ų5739.4 Ų39.459%0.58823%0.226SC*.THydrogen-bonded Turntrans76.944.417400000113.5
119L88.7Confident93.6Very high16 Ų1637.8 Ų37.88%0.08422%0.22CC..  trans-60.9129-177.8-175.468000112.8K14 I114 L115 A121 F122 T202K14-L119 HydrophobicContact CB-CD1 3.71Å; K14-L119 HydrophobicContact CD-CD1 3.99Å; K14-L119 HydrophobicContact CG-CD1 3.57Å; I114-L119 HydrophobicContact CG2-CD2 3.83Å; L115-L119 HydrophobicContact CD2-CD2 4.42Å; L119-A121 WeakPolarHBondContact CD1-O 3.26Å; L119-F122 HydrophobicContact CD1-CB 4.3Å; L119-F122 HydrophobicContact CD2-CB 4.09Å; L119-F122 HydrophobicContact CD2-CD1 3.83Å; L119-F122 HydrophobicContact CD2-CG 4.22Å; L119-T202 HydrophobicContact CB-CG2 4.34Å; L119-T202 HydrophobicContact CD2-CG2 4.21Å; L119-T202 HydrophobicContact CG-CG2 4.23Å; L119-T202 WeakPolarHBondContact O-CG2 3.34Å
120N87.8Confident93.4Very high70 Ų7034 Ų3437%0.37420%0.202SC..  trans-89.5-45.5172.7-66.591.6000112.5D11 V12D11-N120 VanDerWaalsContact CA-OD1 3.31Å; D11-N120 WeakPolarHBondContact CA-OD1 3.48Å; D11-N120 HydrophobicContact CB-CB 4.14Å; D11-N120 PolarHBondContact OD1-ND2 2.94Å; V12-N120 PolarHBondContact N-OD1 3.35Å; V12-N120 PolarHBondContact O-N 2.81Å
121A89.7Confident93.1Very high0 Ų033.4 Ų33.40%020%0.2CC..EExtended strand (participates in β ladder)trans-159161.2179.300000109.6L13 K14 L119 Y142 L199 M200L13-A121 WeakPolarHBondContact CA-O 3.35Å; L13-A121 HydrophobicContact CD2-CB 3.91Å; L13-A121 WeakPolarHBondContact CD2-O 3.37Å; K14-A121 PolarHBondContact N-O 2.85Å; L119-A121 WeakPolarHBondContact CD1-O 3.26Å; A121-Y142 HydrophobicContact CB-CE1 3.74Å; A121-L199 HydrophobicContact CB-CD1 4.02Å; A121-M200 VanDerWaalsContact CA-O 3.31Å; A121-M200 WeakPolarHBondContact CA-O 3.42Å; A121-M200 WeakPolarHBondContact CB-O 3.39Å
122F94.1Very high92.6Very high0 Ų033.8 Ų33.80%021%0.208CC..EExtended strand (participates in β ladder)trans-141.7147.7177.466.7-73000113K14 V16 I107 I114 L119 V124 M200 I204 F205K14-F122 HydrophobicContact CB-CB 4.2Å; K14-F122 CarbonylContact O-C 3.56Å; K14-F122 WeakPolarHBondContact O-CA 3.46Å; K14-F122 WeakPolarHBondContact O-CB 3.26Å; V16-F122 HydrophobicContact CG2-CD2 4.14Å; V16-F122 HydrophobicContact CG2-CE2 4.46Å; I107-F122 HydrophobicContact CG2-CE2 4.11Å; I107-F122 HydrophobicContact CG2-CZ 4.24Å; I114-F122 HydrophobicContact CG2-CD1 4.38Å; I114-F122 HydrophobicContact CG2-CD2 4.14Å; I114-F122 HydrophobicContact CG2-CE2 4.34Å; I114-F122 HydrophobicContact CG2-CG 4.15Å; L119-F122 HydrophobicContact CD1-CB 4.3Å; L119-F122 HydrophobicContact CD2-CB 4.09Å; L119-F122 HydrophobicContact CD2-CD1 3.83Å; L119-F122 HydrophobicContact CD2-CG 4.22Å; F122-V124 HydrophobicContact CD2-CG2 3.67Å; F122-V124 HydrophobicContact CE2-CG2 3.37Å; F122-V124 HydrophobicContact CZ-CG2 4.42Å; F122-M200 HydrophobicContact CD1-CB 4.17Å; F122-M200 HydrophobicContact CE1-CB 3.7Å; F122-M200 HydrophobicContact CE1-CG 4.47Å; F122-M200 HydrophobicContact CE2-CB 4.34Å; F122-M200 HydrophobicContact CE2-CG 4.25Å; F122-M200 HydrophobicContact CE2-SD 4.25Å; F122-M200 HydrophobicContact CZ-CB 3.8Å; F122-M200 HydrophobicContact CZ-CG 4.1Å; F122-M200 HydrophobicContact CZ-SD 4.03Å; F122-M200 PolarHBondContact N-O 2.96Å; F122-M200 PolarHBondContact O-N 3.45Å; F122-I204 HydrophobicContact CE1-CG2 3.8Å; F122-I204 HydrophobicContact CZ-CG2 3.76Å; F122-F205 HydrophobicContact CD1-CE2 4.5Å; F122-F205 AromaticContact CE1-CE2 3.64Å; F122-F205 HydrophobicContact CE1-CE2 3.64Å; F122-F205 AromaticContact CE1-CZ 3.78Å; F122-F205 HydrophobicContact CE1-CZ 3.78Å; F122-F205 HydrophobicContact CE2-CZ 4.34Å; F122-F205 HydrophobicContact CZ-CE1 4.32Å; F122-F205 AromaticContact CZ-CE2 3.92Å; F122-F205 HydrophobicContact CZ-CE2 3.92Å; F122-F205 AromaticContact CZ-CZ 3.56Å; F122-F205 HydrophobicContact CZ-CZ 3.56Å
123F95.3Very high92.2Very high0 Ų029.6 Ų29.60%019%0.185CC..EExtended strand (participates in β ladder)trans-82.5149171.9-67.9-87.1000111.1L13 K14 A15 V16 L55 V58 L125 L135 M138 Y198 L199L13-F123 HydrophobicContact CD1-CE2 4.44Å; K14-F123 PolarHBondContact O-N 2.91Å; A15-F123 CarbonylContact C-O 3.59Å; A15-F123 VanDerWaalsContact CA-O 3.31Å; A15-F123 WeakPolarHBondContact CA-O 3.33Å; A15-F123 HydrophobicContact CB-CB 3.94Å; V16-F123 PolarHBondContact N-O 3.17Å; L55-F123 HydrophobicContact CD2-CB 3.99Å; L55-F123 HydrophobicContact CD2-CD2 4.16Å; L55-F123 HydrophobicContact CD2-CG 4.14Å; V58-F123 HydrophobicContact CG1-CE2 3.92Å; V58-F123 HydrophobicContact CG1-CZ 4.28Å; V58-F123 HydrophobicContact CG2-CE2 4.26Å; V58-F123 HydrophobicContact CG2-CZ 4.37Å; F123-L125 HydrophobicContact CB-CD1 3.68Å; F123-L135 HydrophobicContact CD1-CD2 4.13Å; F123-L135 HydrophobicContact CE1-CB 3.94Å; F123-L135 HydrophobicContact CE1-CD2 4.15Å; F123-L135 HydrophobicContact CZ-CB 4.11Å; F123-M138 HydrophobicContact CE1-CB 4.34Å; F123-Y198 CarbonylContact C-O 3.5Å; F123-Y198 VanDerWaalsContact CA-O 3.22Å; F123-Y198 WeakPolarHBondContact CA-O 3.21Å; F123-L199 HydrophobicContact CD1-CB 4.17Å; F123-L199 HydrophobicContact CD1-CD1 4.14Å; F123-L199 HydrophobicContact CD2-CD1 4.26Å; F123-L199 HydrophobicContact CE1-CB 4.08Å; F123-L199 HydrophobicContact CE1-CD1 3.97Å; F123-L199 HydrophobicContact CE1-CD2 4.39Å; F123-L199 HydrophobicContact CE1-CG 4.38Å; F123-L199 HydrophobicContact CE2-CD1 4.06Å; F123-L199 HydrophobicContact CG-CD1 4.3Å; F123-L199 HydrophobicContact CZ-CD1 3.94Å; F123-L199 HydrophobicContact CZ-CD2 4.46Å
124V95.9Very high91.7Very high0 Ų027.2 Ų27.20%018%0.176CC..EExtended strand (participates in β ladder)trans-129.7123.9167.3-179.70000108.4V16 I18 I107 F122 V197 Y198 M200 F234V16-V124 HydrophobicContact CB-CG2 4.39Å; V16-V124 CarbonylContact O-C 3.5Å; V16-V124 VanDerWaalsContact O-CA 3.27Å; V16-V124 WeakPolarHBondContact O-CA 3.33Å; I18-V124 HydrophobicContact CD1-CG1 3.47Å; I18-V124 VanDerWaalsContact CD1-CG1 3.47Å; I18-V124 HydrophobicContact CG1-CG1 4.04Å; I107-V124 HydrophobicContact CD1-CG1 4.21Å; I107-V124 HydrophobicContact CD1-CG2 4.4Å; F122-V124 HydrophobicContact CD2-CG2 3.67Å; F122-V124 HydrophobicContact CE2-CG2 3.37Å; F122-V124 HydrophobicContact CZ-CG2 4.42Å; V124-V197 WeakPolarHBondContact O-CA 3.27Å; V124-Y198 HydrophobicContact CB-CD2 3.92Å; V124-Y198 HydrophobicContact CG1-CD2 3.99Å; V124-Y198 PolarHBondContact N-O 3.35Å; V124-Y198 WeakPolarHBondContact O-CD2 3.33Å; V124-Y198 PolarHBondContact O-N 3.13Å; V124-M200 HydrophobicContact CB-CE 4.01Å; V124-M200 HydrophobicContact CG2-CE 3.88Å; V124-M200 HydrophobicContact CG2-CG 4.02Å; V124-M200 HydrophobicContact CG2-SD 3.85Å; V124-F234 HydrophobicContact CG1-CE2 4.29Å
125L96.2Very high91.4Very high0 Ų027.3 Ų27.30%018%0.176CC..EExtended strand (participates in β ladder)trans-127134.2-178.8-68.382.3000110.7V16 I17 I18 H51 L55 F123 F133 L135 G196 V197V16-L125 PolarHBondContact O-N 2.97Å; I17-L125 CarbonylContact C-O 3.56Å; I17-L125 WeakPolarHBondContact CA-O 3.47Å; I18-L125 PolarHBondContact N-O 3.05Å; H51-L125 HydrophobicContact CB-CD2 4.44Å; L55-L125 HydrophobicContact CD1-CD1 4.3Å; L55-L125 HydrophobicContact CD2-CD1 4.07Å; L55-L125 HydrophobicContact CG-CD1 4.44Å; F123-L125 HydrophobicContact CB-CD1 3.68Å; L125-F133 HydrophobicContact CD2-CD1 4.28Å; L125-F133 HydrophobicContact CD2-CE1 4.4Å; L125-L135 HydrophobicContact CD2-CD1 4.21Å; L125-G196 CarbonylContact C-O 3.45Å; L125-G196 WeakPolarHBondContact CA-O 3.22Å; L125-V197 HydrophobicContact CD2-CG1 4.49Å; L125-V197 HydrophobicContact CD2-CG2 4.44Å; L125-V197 HydrophobicContact CG-CG1 4.16Å; L125-V197 HydrophobicContact CG-CG2 4.3Å
126N95.1Very high90.9Very high18 Ų1826.7 Ų26.710%0.09618%0.18CC..EExtended strand (participates in β ladder)trans-79.8127.1171.1-68-10.3000110H51 D128 V129 G196H51-N126 PolarHBondContact NE2-O 3.17Å; N126-D128 WeakPolarHBondContact CB-OD1 3.48Å; N126-D128 PolarHBondContact O-N 3Å; N126-D128 VanDerWaalsContact O-N 3.13Å; N126-V129 WeakPolarHBondContact O-CG2 3.27Å; N126-V129 PolarHBondContact O-N 3.31Å; N126-G196 PolarHBondContact N-O 3.43Å; N126-G196 WeakPolarHBondContact ND2-CA 3.35Å
127A95Very high90.4Very high5 Ų528.5 Ų28.54%0.04118%0.183CC..THydrogen-bonded Turntrans-68.6-10.6-179.700000114.4I17 I18 I19 P38 I48 V129I17-A127 HydrophobicContact CG2-CB 4.01Å; I18-A127 VanDerWaalsContact O-CB 3.27Å; I18-A127 WeakPolarHBondContact O-CB 3.38Å; I18-A127 PolarHBondContact O-N 3.43Å; I19-A127 HydrophobicContact CB-CB 4.37Å; I19-A127 HydrophobicContact CG2-CB 4.19Å; P38-A127 HydrophobicContact CB-CB 4.21Å; P38-A127 HydrophobicContact CG-CB 4.38Å; I48-A127 HydrophobicContact CG2-CB 3.58Å; A127-V129 VanDerWaalsContact C-N 3.3Å
128D91.7Very high90.2Very high47 Ų4725.4 Ų25.425%0.25115%0.15SC..THydrogen-bonded Turntrans-91.614.6178.879.2-30.6000113.7N126 L260N126-D128 WeakPolarHBondContact CB-OD1 3.48Å; N126-D128 PolarHBondContact O-N 3Å; N126-D128 VanDerWaalsContact O-N 3.13Å; D128-L260 PolarHBondContact O-N 3.07Å
129V91.8Very high90Very high1 Ų123.6 Ų23.61%0.00613%0.126CC..EExtended strand (participates in β ladder)trans-117153.8171-56.90000111.6H51 N126 A127 F133 C195 V197 W257 S258 Q259H51-V129 PolarHBondContact CE1-O 2.69Å; H51-V129 PolarHBondContact NE2-O 3.44Å; H51-V129 VanDerWaalsContact NE2-O 3.15Å; N126-V129 WeakPolarHBondContact O-CG2 3.27Å; N126-V129 PolarHBondContact O-N 3.31Å; A127-V129 VanDerWaalsContact C-N 3.3Å; V129-F133 HydrophobicContact CG2-CE1 4.06Å; V129-F133 HydrophobicContact CG2-CZ 4.18Å; V129-C195 WeakPolarHBondContact CG1-O 3.48Å; V129-V197 HydrophobicContact CG2-CG2 4.39Å; V129-W257 HydrophobicContact CB-CZ2 4.48Å; V129-W257 HydrophobicContact CG1-CZ2 3.84Å; V129-S258 CarbonylContact C-O 3.51Å; V129-S258 WeakPolarHBondContact CA-O 3.4Å; V129-Q259 HydrophobicContact CG1-CG 4.32Å
130C93.2Very high89.1Confident0 Ų029.8 Ų29.80%015%0.154CC..EExtended strand (participates in β ladder)trans-123.2150.4173.9-66.20000108.6W256 W257 S258 A269 Y273C130-W256 HydrophobicContact CB-CH2 3.81Å; C130-W256 HydrophobicContact CB-CZ2 4.2Å; C130-W256 HydrophobicContact CB-CZ3 4.5Å; C130-W257 CarbonylContact O-C 3.51Å; C130-W257 VanDerWaalsContact O-CA 3.25Å; C130-W257 WeakPolarHBondContact O-CA 3.45Å; C130-S258 PolarHBondContact N-O 3.09Å; C130-S258 PolarHBondContact O-N 2.81Å; C130-A269 HydrophobicContact CB-CB 4.14Å; C130-Y273 WeakPolarHBondContact CA-OH 3.46Å; C130-Y273 HydrophobicContact CB-CE2 3.64Å
131G90.7Very high88Confident2 Ų228.4 Ų28.42%0.02115%0.149CC..EExtended strand (participates in β ladder)trans175.5176176.700000113.8F133 W256 Y273G131-F133 VanDerWaalsContact C-N 3.26Å; G131-F133 WeakPolarHBondContact O-CD2 3.43Å; G131-F133 WeakPolarHBondContact O-CE2 3.19Å; G131-W256 WeakPolarHBondContact CA-O 3.42Å; G131-Y273 PolarHBondContact N-OH 3.34Å; G131-Y273 PolarHBondContact O-OH 2.8Å
132D86.8Confident86.8Confident86 Ų8628.9 Ų28.946%0.4615%0.151SC..  trans-74.5-18.7174.5-173.336.1000112.3A255 W256 L276D132-A255 HydrophobicContact CB-CB 4.28Å; D132-W256 PolarHBondContact N-O 3.47Å; D132-W256 VanDerWaalsContact N-O 3.09Å; D132-L276 HydrophobicContact CB-CD1 4.47Å
133F88.5Confident85.2Confident10 Ų1031.4 Ų31.44%0.04416%0.164CC..  trans44.275.8175.7-56.7-56.3000113.6H51 A54 L125 V129 G131 L135 V197H51-F133 AromaticContact CD2-CE2 3.96Å; H51-F133 AromaticContact CD2-CZ 3.78Å; H51-F133 AromaticContact CE1-CZ 3.95Å; H51-F133 AromaticContact NE2-CZ 3.55Å; A54-F133 HydrophobicContact CB-CB 3.66Å; A54-F133 HydrophobicContact CB-CD2 4.07Å; A54-F133 HydrophobicContact CB-CG 4.32Å; L125-F133 HydrophobicContact CD2-CD1 4.28Å; L125-F133 HydrophobicContact CD2-CE1 4.4Å; V129-F133 HydrophobicContact CG2-CE1 4.06Å; V129-F133 HydrophobicContact CG2-CZ 4.18Å; G131-F133 VanDerWaalsContact C-N 3.26Å; G131-F133 WeakPolarHBondContact O-CD2 3.43Å; G131-F133 WeakPolarHBondContact O-CE2 3.19Å; F133-L135 HydrophobicContact CB-CD1 4.39Å; F133-L135 HydrophobicContact CB-CD2 4.18Å; F133-L135 HydrophobicContact CB-CG 3.99Å; F133-L135 WeakPolarHBondContact O-CG 3.3Å; F133-L135 PolarHBondContact O-N 2.88Å; F133-V197 HydrophobicContact CD1-CG2 3.89Å; F133-V197 HydrophobicContact CE1-CG2 3.74Å
134P86.5Confident83.5Confident20 Ų2035.3 Ų35.313%0.1320%0.196CC..  trans-75.153.3-179.633.2-37.4000112.7A136 K137 M138 F251 A255P134-A136 PolarHBondContact O-N 2.89Å; P134-K137 HydrophobicContact CB-CB 4.35Å; P134-K137 HydrophobicContact CB-CD 4.23Å; P134-K137 WeakPolarHBondContact O-CA 3.49Å; P134-K137 WeakPolarHBondContact O-CB 3.43Å; P134-K137 PolarHBondContact O-N 3.07Å; P134-M138 PolarHBondContact O-N 2.9Å; P134-M138 VanDerWaalsContact O-N 3.13Å; P134-F251 HydrophobicContact CG-CE1 4.36Å; P134-A255 HydrophobicContact CG-CB 4.26Å
135L90.5Very high81.6Confident2 Ų241 Ų411%0.0123%0.226CC..Hα-helixtrans-62.6-38.1-168.3-56.2-178.3000112.8A54 L55 V58 F123 L125 F133 K137 M138 Y139 V197A54-L135 HydrophobicContact CB-CD1 4.15Å; L55-L135 HydrophobicContact CB-CD1 4.48Å; L55-L135 HydrophobicContact CD2-CD1 3.49Å; L55-L135 VanDerWaalsContact CD2-CD1 3.49Å; L55-L135 HydrophobicContact CG-CD1 3.72Å; V58-L135 HydrophobicContact CG2-CB 3.57Å; F123-L135 HydrophobicContact CD1-CD2 4.13Å; F123-L135 HydrophobicContact CE1-CB 3.94Å; F123-L135 HydrophobicContact CE1-CD2 4.15Å; F123-L135 HydrophobicContact CZ-CB 4.11Å; L125-L135 HydrophobicContact CD2-CD1 4.21Å; F133-L135 HydrophobicContact CB-CD1 4.39Å; F133-L135 HydrophobicContact CB-CD2 4.18Å; F133-L135 HydrophobicContact CB-CG 3.99Å; F133-L135 WeakPolarHBondContact O-CG 3.3Å; F133-L135 PolarHBondContact O-N 2.88Å; L135-K137 VanDerWaalsContact C-N 3.27Å; L135-K137 PolarHBondContact O-N 2.89Å; L135-M138 HydrophobicContact CD2-SD 3.82Å; L135-M138 WeakPolarHBondContact O-CB 3.41Å; L135-M138 PolarHBondContact O-N 3.04Å; L135-Y139 PolarHBondContact O-N 3.03Å; L135-V197 HydrophobicContact CD2-CG1 3.7Å
136A85.6Confident79.7Confident48 Ų4841.7 Ų41.740%0.39723%0.229SC..Hα-helixtrans-61.2-36.8174.400000112.1P134 M138 Y139 H140P134-A136 PolarHBondContact O-N 2.89Å; A136-M138 VanDerWaalsContact C-N 3.31Å; A136-Y139 PolarHBondContact O-N 2.89Å; A136-H140 PolarHBondContact O-N 3.39Å
137K83.5Confident77.8Confident150 Ų15047.3 Ų47.365%0.65225%0.249SC*.Hα-helixtrans-73.9-21.8175-61.6-177.3-179.9176.60112.7P134 L135 P141 F251P134-K137 HydrophobicContact CB-CB 4.35Å; P134-K137 HydrophobicContact CB-CD 4.23Å; P134-K137 WeakPolarHBondContact O-CA 3.49Å; P134-K137 WeakPolarHBondContact O-CB 3.43Å; P134-K137 PolarHBondContact O-N 3.07Å; L135-K137 VanDerWaalsContact C-N 3.27Å; L135-K137 PolarHBondContact O-N 2.89Å; K137-P141 WeakPolarHBondContact O-CD 3.47Å; K137-P141 VanDerWaalsContact O-CG 3.31Å; K137-P141 WeakPolarHBondContact O-CG 3.21Å; K137-F251 HydrophobicContact CB-CZ 4.18Å; K137-F251 WeakPolarHBondContact O-CE2 3.41Å
138M82.7Confident75.6Confident1 Ų155.6 Ų55.61%0.00529%0.289CS..Hα-helixtrans-74.2-37.4170.6-65.4176.361.400111.3F123 P134 L135 A136 A154 V197 L199 F251F123-M138 HydrophobicContact CE1-CB 4.34Å; P134-M138 PolarHBondContact O-N 2.9Å; P134-M138 VanDerWaalsContact O-N 3.13Å; L135-M138 HydrophobicContact CD2-SD 3.82Å; L135-M138 WeakPolarHBondContact O-CB 3.41Å; L135-M138 PolarHBondContact O-N 3.04Å; A136-M138 VanDerWaalsContact C-N 3.31Å; M138-A154 HydrophobicContact CE-CB 3.67Å; M138-A154 HydrophobicContact SD-CB 3.79Å; M138-V197 HydrophobicContact CE-CG1 4.2Å; M138-V197 HydrophobicContact SD-CG1 4.01Å; M138-L199 HydrophobicContact CE-CB 4.29Å; M138-F251 HydrophobicContact CG-CD1 3.54Å; M138-F251 HydrophobicContact CG-CD2 4.44Å; M138-F251 HydrophobicContact CG-CE1 3.57Å; M138-F251 HydrophobicContact CG-CE2 4.47Å; M138-F251 HydrophobicContact CG-CG 3.99Å; M138-F251 HydrophobicContact CG-CZ 4.06Å; M138-F251 HydrophobicContact SD-CD1 4.41Å
139Y80.1Confident74.1Confident20 Ų2056.7 Ų56.78%0.07829%0.29CS..Hα-helixtrans-73.2-39.1-177.3-170.7-119.1000113.6D11 L13 L135 A136 Y142 I143 L199D11-Y139 WeakPolarHBondContact CB-OH 3.46Å; D11-Y139 PolarHBondContact OD2-OH 3.5Å; L13-Y139 HydrophobicContact CD1-CD1 3.87Å; L13-Y139 HydrophobicContact CD1-CD2 3.85Å; L13-Y139 HydrophobicContact CD1-CE1 3.69Å; L13-Y139 HydrophobicContact CD1-CE2 3.72Å; L13-Y139 HydrophobicContact CD1-CG 3.97Å; L13-Y139 HydrophobicContact CD2-CD2 4.19Å; L13-Y139 HydrophobicContact CD2-CE2 3.46Å; L13-Y139 VanDerWaalsContact CD2-CE2 3.46Å; L13-Y139 HydrophobicContact CG-CE1 4.49Å; L13-Y139 HydrophobicContact CG-CE2 4.16Å; L135-Y139 PolarHBondContact O-N 3.03Å; A136-Y139 PolarHBondContact O-N 2.89Å; Y139-Y142 HydrophobicContact CD2-CD1 4.27Å; Y139-Y142 HydrophobicContact CE2-CD1 4.02Å; Y139-Y142 WeakPolarHBondContact O-CA 3.48Å; Y139-Y142 VanDerWaalsContact O-CB 3.26Å; Y139-Y142 WeakPolarHBondContact O-CB 3.37Å; Y139-Y142 PolarHBondContact O-N 2.88Å; Y139-Y142 VanDerWaalsContact O-N 3.07Å; Y139-I143 HydrophobicContact CD1-CD1 3.73Å; Y139-I143 HydrophobicContact CD1-CG1 4.32Å; Y139-I143 HydrophobicContact CE1-CD1 3.1Å; Y139-I143 HydrophobicContact CE1-CG1 3.72Å; Y139-I143 HydrophobicContact CE2-CD1 4.31Å; Y139-I143 HydrophobicContact CE2-CG1 3.98Å; Y139-I143 VanDerWaalsContact CZ-CD1 3.43Å; Y139-I143 VanDerWaalsContact CZ-CG1 3.48Å; Y139-I143 PolarHBondContact O-N 2.84Å; Y139-I143 VanDerWaalsContact O-N 3.17Å; Y139-L199 HydrophobicContact CD2-CD1 4.4Å; Y139-L199 HydrophobicContact CD2-CD2 4.01Å
140H70.8Confident72.4Confident146 Ų14658 Ų5868%0.67630%0.297SS*.Hα-helixtrans-61.4-47.5-174.6-162.178.5000113.8A136 Y142A136-H140 PolarHBondContact O-N 3.39Å; H140-Y142 VanDerWaalsContact C-N 3.29Å; H140-Y142 PolarHBondContact O-N 2.83Å
141P63.6Low70.7Confident40 Ų4058.1 Ų58.126%0.2630%0.297SS..Hα-helixtrans-65-32.9172.1-17.731.3000112.4K137 I143 A144 L145 F146K137-P141 WeakPolarHBondContact O-CD 3.47Å; K137-P141 VanDerWaalsContact O-CG 3.31Å; K137-P141 WeakPolarHBondContact O-CG 3.21Å; P141-I143 VanDerWaalsContact C-N 3.35Å; P141-I143 PolarHBondContact O-N 3.31Å; P141-A144 PolarHBondContact O-N 3.22Å; P141-A144 VanDerWaalsContact O-N 3.17Å; P141-L145 HydrophobicContact CB-CD1 4.4Å; P141-L145 WeakPolarHBondContact O-CB 3.33Å; P141-L145 PolarHBondContact O-N 2.76Å; P141-F146 WeakPolarHBondContact O-CD2 3.42Å
142Y64.4Low69Low11 Ų1158.2 Ų58.24%0.04330%0.297CS..Hα-helixtrans-56.3-47178.8-178.9-94.9000112.1A121 Y139 H140 A144 F146 R147 C152 L199 S201A121-Y142 HydrophobicContact CB-CE1 3.74Å; Y139-Y142 HydrophobicContact CD2-CD1 4.27Å; Y139-Y142 HydrophobicContact CE2-CD1 4.02Å; Y139-Y142 WeakPolarHBondContact O-CA 3.48Å; Y139-Y142 VanDerWaalsContact O-CB 3.26Å; Y139-Y142 WeakPolarHBondContact O-CB 3.37Å; Y139-Y142 PolarHBondContact O-N 2.88Å; Y139-Y142 VanDerWaalsContact O-N 3.07Å; H140-Y142 VanDerWaalsContact C-N 3.29Å; H140-Y142 PolarHBondContact O-N 2.83Å; Y142-A144 VanDerWaalsContact C-N 3.34Å; Y142-A144 PolarHBondContact O-N 3.07Å; Y142-F146 HydrophobicContact CD2-CB 3.58Å; Y142-F146 HydrophobicContact CD2-CG 4.32Å; Y142-F146 HydrophobicContact CE2-CB 3.89Å; Y142-F146 HydrophobicContact CG-CB 4.21Å; Y142-F146 CarbonylContact O-C 3.59Å; Y142-F146 VanDerWaalsContact O-CA 3.32Å; Y142-F146 WeakPolarHBondContact O-CA 3.4Å; Y142-F146 WeakPolarHBondContact O-CB 3.26Å; Y142-F146 PolarHBondContact O-N 2.87Å; Y142-R147 PolarHBondContact O-N 2.89Å; Y142-C152 HydrophobicContact CD2-CB 3.88Å; Y142-C152 HydrophobicContact CE2-CB 4.46Å; Y142-L199 VanDerWaalsContact CB-CD2 3.48Å; Y142-L199 HydrophobicContact CD1-CD2 4.06Å; Y142-L199 HydrophobicContact CD2-CD2 3.83Å; Y142-L199 HydrophobicContact CD2-CG 4.17Å; Y142-L199 HydrophobicContact CG-CD2 3.51Å; Y142-L199 HydrophobicContact CG-CG 4.21Å; Y142-S201 WeakPolarHBondContact OH-CA 3.44Å; Y142-S201 WeakPolarHBondContact OH-CB 3.44Å
143I61.3Low67.7Low52 Ų5254.1 Ų54.127%0.26728%0.275SS..Hα-helixtrans-62.6-42.5176.9-60.8164.8000111.5Y139 P141Y139-I143 HydrophobicContact CD1-CD1 3.73Å; Y139-I143 HydrophobicContact CD1-CG1 4.32Å; Y139-I143 HydrophobicContact CE1-CD1 3.1Å; Y139-I143 HydrophobicContact CE1-CG1 3.72Å; Y139-I143 HydrophobicContact CE2-CD1 4.31Å; Y139-I143 HydrophobicContact CE2-CG1 3.98Å; Y139-I143 VanDerWaalsContact CZ-CD1 3.43Å; Y139-I143 VanDerWaalsContact CZ-CG1 3.48Å; Y139-I143 PolarHBondContact O-N 2.84Å; Y139-I143 VanDerWaalsContact O-N 3.17Å; P141-I143 VanDerWaalsContact C-N 3.35Å; P141-I143 PolarHBondContact O-N 3.31Å
144A58.7Low66.2Low82 Ų8253.7 Ų53.768%0.67827%0.274SS*.Hα-helixtrans-74.9-34.5-173.100000113.7P141 Y142P141-A144 PolarHBondContact O-N 3.22Å; P141-A144 VanDerWaalsContact O-N 3.17Å; Y142-A144 VanDerWaalsContact C-N 3.34Å; Y142-A144 PolarHBondContact O-N 3.07Å
145L56.9Low64.8Low121 Ų12152.7 Ų52.763%0.63427%0.267SS*.Hα-helixtrans-117.8-20.1-168.6-66.6167.5000113.7P141P141-L145 HydrophobicContact CB-CD1 4.4Å; P141-L145 WeakPolarHBondContact O-CB 3.33Å; P141-L145 PolarHBondContact O-N 2.76Å
146F56.5Low63.3Low13 Ų1352.8 Ų52.86%0.05727%0.268CS..  trans-128.79.4-160-57.7-89.7000116.1P141 Y142 M148 R149 Y249P141-F146 WeakPolarHBondContact O-CD2 3.42Å; Y142-F146 HydrophobicContact CD2-CB 3.58Å; Y142-F146 HydrophobicContact CD2-CG 4.32Å; Y142-F146 HydrophobicContact CE2-CB 3.89Å; Y142-F146 HydrophobicContact CG-CB 4.21Å; Y142-F146 CarbonylContact O-C 3.59Å; Y142-F146 VanDerWaalsContact O-CA 3.32Å; Y142-F146 WeakPolarHBondContact O-CA 3.4Å; Y142-F146 WeakPolarHBondContact O-CB 3.26Å; Y142-F146 PolarHBondContact O-N 2.87Å; F146-M148 PolarHBondContact O-N 3.22Å; F146-R149 HydrophobicContact CB-CB 4.16Å; F146-R149 HydrophobicContact CD1-CB 4.13Å; F146-R149 HydrophobicContact CD1-CG 4.3Å; F146-R149 PolarHBondContact O-N 2.8Å; F146-Y249 HydrophobicContact CD1-CD1 4.48Å; F146-Y249 AromaticContact CD1-CD2 3.93Å; F146-Y249 HydrophobicContact CD1-CD2 3.93Å; F146-Y249 AromaticContact CD1-CG 3.92Å; F146-Y249 HydrophobicContact CD1-CG 3.92Å; F146-Y249 AromaticContact CE1-CD1 3.69Å; F146-Y249 HydrophobicContact CE1-CD1 3.69Å; F146-Y249 AromaticContact CE1-CD2 3.91Å; F146-Y249 HydrophobicContact CE1-CD2 3.91Å; F146-Y249 HydrophobicContact CE1-CE1 4.42Å; F146-Y249 AromaticContact CE1-CG 3.41Å; F146-Y249 HydrophobicContact CE1-CG 3.41Å; F146-Y249 VanDerWaalsContact CE1-CG 3.41Å; F146-Y249 HydrophobicContact CZ-CG 4.5Å
147R54.9Low61.9Low136 Ų13653.5 Ų53.551%0.51326%0.262SS..THydrogen-bonded Turntrans-53.1-21.5178.4-91-175.2164.3164.4-3114.9D11 Y142D11-R147 IonicContact OD1-NH2 3.55Å; D11-R147 PolarHBondContact OD1-NH2 3.02Å; D11-R147 IonicContact OD2-NH2 3.07Å; Y142-R147 PolarHBondContact O-N 2.89Å
148M49.3Very low60.5Low179 Ų17946.3 Ų46.388%0.88223%0.231SC*.THydrogen-bonded Turntrans-103.614.5177.6-66.2-82.3-71.800114F146F146-M148 PolarHBondContact O-N 3.22Å
149R59.4Low59.3Low71 Ų7147.2 Ų47.227%0.26824%0.236SC..  trans-125.8137.3-168.8-65.6171.5167.5-167.5-2.2111.3F146 L151 Y249F146-R149 HydrophobicContact CB-CB 4.16Å; F146-R149 HydrophobicContact CD1-CB 4.13Å; F146-R149 HydrophobicContact CD1-CG 4.3Å; F146-R149 PolarHBondContact O-N 2.8Å; R149-L151 PolarHBondContact O-N 2.84Å; R149-Y249 HydrophobicContact CB-CD2 4.06Å; R149-Y249 HydrophobicContact CB-CE2 3.77Å; R149-Y249 HydrophobicContact CG-CD2 4.28Å; R149-Y249 HydrophobicContact CG-CE2 3.59Å; R149-Y249 VanDerWaalsContact CZ-OH 3.27Å; R149-Y249 PolarHBondContact NE-OH 3.47Å
150N56.4Low58.5Low29 Ų2952.9 Ų52.916%0.15526%0.257CS..SBendtrans-67.2-34.3-167.9-69.4-28.5000114.8S201 D203 L242 T247N150-S201 WeakPolarHBondContact CA-OG 3.02Å; N150-S201 PolarHBondContact O-N 3.02Å; N150-S201 PolarHBondContact O-OG 3.02Å; N150-D203 WeakPolarHBondContact OD1-CB 3.35Å; N150-L242 HydrophobicContact CB-CD1 4.37Å; N150-T247 WeakPolarHBondContact ND2-CB 3.22Å; N150-T247 PolarHBondContact ND2-OG1 2.84Å
151L57.3Low58.1Low1 Ų151 Ų511%0.00525%0.253CS..EExtended strand (participates in β ladder)trans-155.7130.9-171.5-171.566.1000113.6R149 L199 M200 F239 L242 T247 F248 Y249R149-L151 PolarHBondContact O-N 2.84Å; L151-L199 WeakPolarHBondContact CD1-O 3.47Å; L151-M200 HydrophobicContact CD1-CB 3.69Å; L151-M200 HydrophobicContact CD1-CE 3.81Å; L151-M200 HydrophobicContact CD1-CG 3.29Å; L151-M200 HydrophobicContact CD1-SD 3.84Å; L151-F239 HydrophobicContact CD2-CD1 4.36Å; L151-F239 HydrophobicContact CD2-CE1 3.87Å; L151-L242 HydrophobicContact CB-CD2 3.88Å; L151-L242 HydrophobicContact CD2-CD2 3.32Å; L151-L242 HydrophobicContact CG-CD2 4.21Å; L151-T247 PolarHBondContact N-O 3.05Å; L151-F248 HydrophobicContact CB-CD2 4.06Å; L151-F248 HydrophobicContact CB-CE2 4.47Å; L151-F248 HydrophobicContact CD2-CD2 3.65Å; L151-F248 HydrophobicContact CD2-CE2 3.29Å; L151-F248 HydrophobicContact CD2-CZ 4Å; L151-F248 HydrophobicContact CG-CD2 3.96Å; L151-F248 HydrophobicContact CG-CE2 3.86Å; L151-Y249 PolarHBondContact O-N 3.2Å
152C55.9Low58.3Low4 Ų450.1 Ų50.13%0.02725%0.245CC..EExtended strand (participates in β ladder)trans-115.1127.3167.1-177.30000109.9Y142 L199Y142-C152 HydrophobicContact CD2-CB 3.88Å; Y142-C152 HydrophobicContact CE2-CB 4.46Å; C152-L199 PolarHBondContact N-O 3.39Å; C152-L199 PolarHBondContact O-N 2.85Å
153R58.8Low58.7Low0 Ų049.6 Ų49.60%024%0.243CC..EExtended strand (participates in β ladder)trans-121.8128.9-170.6166.8171160.7-175.4-28.7111.9L155 N194 Y198 F239 F248 Y249 A250 F251R153-L155 HydrophobicContact CG-CD2 4.03Å; R153-L155 HydrophobicContact CG-CG 4.48Å; R153-L155 VanDerWaalsContact NE-CD2 3.32Å; R153-L155 PolarHBondContact O-N 2.85Å; R153-N194 VanDerWaalsContact CZ-CG 3.45Å; R153-Y198 HydrophobicContact CB-CD1 4.24Å; R153-Y198 HydrophobicContact CG-CD1 3.81Å; R153-Y198 HydrophobicContact CG-CE1 4.03Å; R153-F239 VanDerWaalsContact NH1-CD2 3.33Å; R153-F248 HydrophobicContact CB-CE2 3.77Å; R153-F248 HydrophobicContact CB-CZ 4.46Å; R153-F248 HydrophobicContact CG-CE2 4.45Å; R153-Y249 PolarHBondContact N-O 2.69Å; R153-A250 CarbonylContact O-C 3.51Å; R153-F251 PolarHBondContact O-N 2.83Å
154A56.1Low59.3Low1 Ų150.6 Ų50.61%0.00825%0.247CC..EExtended strand (participates in β ladder)trans-65.3132.6169.200000110.2M138 F156 C195 V197 F251M138-A154 HydrophobicContact CE-CB 3.67Å; M138-A154 HydrophobicContact SD-CB 3.79Å; A154-F156 HydrophobicContact CB-CE2 4Å; A154-C195 PolarHBondContact O-SG 3.2Å; A154-V197 HydrophobicContact CB-CB 4.27Å; A154-V197 HydrophobicContact CB-CG1 4.37Å; A154-V197 PolarHBondContact N-O 3.04Å; A154-F251 CarbonylContact C-O 3.57Å; A154-F251 WeakPolarHBondContact CA-O 3.42Å; A154-F251 HydrophobicContact CB-CD1 4.24Å
155L57.8Low60.1Low0 Ų050.5 Ų50.50%024%0.235CC..EExtended strand (participates in β ladder)trans-123.8127.5173.3-63.8-179.8000108R153 V169 I171 W192 I193 A250 F251 K252 T253R153-L155 HydrophobicContact CG-CD2 4.03Å; R153-L155 HydrophobicContact CG-CG 4.48Å; R153-L155 VanDerWaalsContact NE-CD2 3.32Å; R153-L155 PolarHBondContact O-N 2.85Å; L155-V169 HydrophobicContact CD1-CG2 3.39Å; L155-V169 HydrophobicContact CD2-CG2 4Å; L155-V169 HydrophobicContact CG-CG2 4.37Å; L155-I171 HydrophobicContact CD1-CD1 3.34Å; L155-I171 HydrophobicContact CD1-CG1 4.11Å; L155-W192 HydrophobicContact CB-CB 4.38Å; L155-W192 HydrophobicContact CB-CE3 4.04Å; L155-W192 HydrophobicContact CD1-CB 4.19Å; L155-I193 WeakPolarHBondContact CD2-O 3.48Å; L155-A250 HydrophobicContact CD1-CB 3.31Å; L155-A250 HydrophobicContact CG-CB 4.12Å; L155-F251 PolarHBondContact N-O 2.92Å; L155-K252 WeakPolarHBondContact O-CA 3.28Å; L155-T253 PolarHBondContact O-N 3.1Å
156F58.4Low61.2Low3 Ų346 Ų461%0.01321%0.21CC..EExtended strand (participates in β ladder)trans-103.5149.6177.1-71.2-104.1000108.9A154 I193 C195 T253 A255 W257A154-F156 HydrophobicContact CB-CE2 4Å; F156-I193 WeakPolarHBondContact O-CG1 3.37Å; F156-I193 PolarHBondContact O-N 2.64Å; F156-C195 HydrophobicContact CB-CB 4.49Å; F156-C195 HydrophobicContact CD2-CB 3.2Å; F156-C195 WeakPolarHBondContact CD2-SG 3.47Å; F156-C195 HydrophobicContact CE2-CB 3.64Å; F156-C195 WeakPolarHBondContact CE2-SG 3.33Å; F156-C195 HydrophobicContact CG-CB 4.15Å; F156-T253 HydrophobicContact CD1-CG2 3.71Å; F156-T253 HydrophobicContact CD2-CG2 3.96Å; F156-T253 HydrophobicContact CE1-CG2 3.46Å; F156-T253 VanDerWaalsContact CE1-CG2 3.46Å; F156-T253 HydrophobicContact CE2-CG2 3.76Å; F156-T253 HydrophobicContact CG-CG2 3.99Å; F156-T253 HydrophobicContact CZ-CG2 3.51Å; F156-A255 VanDerWaalsContact CD1-O 3.23Å; F156-A255 WeakPolarHBondContact CD1-O 3.22Å; F156-A255 HydrophobicContact CE1-CB 4.05Å; F156-A255 VanDerWaalsContact CE1-O 3.25Å; F156-A255 WeakPolarHBondContact CE1-O 3.42Å; F156-W257 HydrophobicContact CD1-CB 3.42Å; F156-W257 VanDerWaalsContact CD1-CB 3.42Å; F156-W257 HydrophobicContact CD1-CG 4.16Å; F156-W257 HydrophobicContact CD2-CB 4.38Å; F156-W257 HydrophobicContact CD2-CG 4.29Å; F156-W257 HydrophobicContact CE1-CB 3.45Å; F156-W257 VanDerWaalsContact CE1-CB 3.45Å; F156-W257 HydrophobicContact CE1-CG 4.25Å; F156-W257 HydrophobicContact CE2-CB 4.39Å; F156-W257 HydrophobicContact CE2-CG 4.36Å; F156-W257 HydrophobicContact CG-CB 3.89Å; F156-W257 HydrophobicContact CG-CG 4.15Å; F156-W257 HydrophobicContact CZ-CB 3.94Å; F156-W257 HydrophobicContact CZ-CG 4.33Å
157K56.9Low62.3Low63 Ų6345.4 Ų45.427%0.27421%0.208SC..EExtended strand (participates in β ladder)trans-80.4132.4175.8-158167.6177.6-178.70109.9K191 W192 F378K157-K191 HydrophobicContact CG-CB 4.48Å; K157-W192 HydrophobicContact CB-CE3 4.22Å; K157-W192 HydrophobicContact CB-CH2 4.09Å; K157-W192 HydrophobicContact CB-CZ3 3.79Å; K157-W192 HydrophobicContact CD-CH2 4.16Å; K157-W192 HydrophobicContact CD-CZ2 4.35Å; K157-W192 HydrophobicContact CG-CH2 4.37Å; K157-W192 HydrophobicContact CG-CZ3 4.43Å; K157-F378 HydrophobicContact CB-CD1 3.97Å; K157-F378 HydrophobicContact CB-CE1 4.42Å; K157-F378 HydrophobicContact CB-CG 4.16Å; K157-F378 HydrophobicContact CD-CD1 4.07Å; K157-F378 HydrophobicContact CD-CD2 3.91Å; K157-F378 HydrophobicContact CD-CE1 3.91Å; K157-F378 HydrophobicContact CD-CE2 3.77Å; K157-F378 HydrophobicContact CD-CG 4.08Å; K157-F378 HydrophobicContact CD-CZ 3.77Å; K157-F378 HydrophobicContact CG-CD1 4.22Å; K157-F378 HydrophobicContact CG-CD2 4.15Å; K157-F378 HydrophobicContact CG-CG 4.02Å
158A55.1Low63.7Low0 Ų039 Ų390%018%0.184CC..  trans-124.9171.4173.100000110.3E162 K191 I193A158-E162 HydrophobicContact CB-CB 4.26Å; A158-K191 PolarHBondContact N-O 2.66Å; A158-K191 WeakPolarHBondContact O-CB 3.42Å; A158-I193 HydrophobicContact CB-CD1 3.79Å; A158-I193 HydrophobicContact CB-CG1 3.96Å; A158-I193 HydrophobicContact CB-CG2 3.83Å
159T56.6Low65.3Low20 Ų2030.5 Ų30.512%0.12314%0.142CC..  trans-72.4169.5171.271.90000111.3D161 E162 S163 I376 A379T159-D161 VanDerWaalsContact C-N 3.34Å; T159-E162 WeakPolarHBondContact CG2-OE2 3.5Å; T159-E162 PolarHBondContact N-OE2 2.83Å; T159-E162 VanDerWaalsContact N-OE2 3.1Å; T159-E162 WeakPolarHBondContact OG1-CB 3.39Å; T159-E162 WeakPolarHBondContact OG1-CG 3.32Å; T159-E162 PolarHBondContact OG1-N 3.43Å; T159-E162 PolarHBondContact OG1-OE1 2.86Å; T159-E162 PolarHBondContact OG1-OE2 3.35Å; T159-S163 WeakPolarHBondContact O-CB 3.4Å; T159-S163 PolarHBondContact O-N 3.17Å; T159-S163 VanDerWaalsContact O-N 3.1Å; T159-I376 HydrophobicContact CG2-CG2 3.56Å; T159-A379 HydrophobicContact CG2-CB 4.15Å
160R63.9Low66.6Low138 Ų13828.2 Ų28.252%0.52114%0.138SC..Hα-helixtrans-60.7-44.7178.9-171.2-166.5171.392.4-5.5111.2S163 F188R160-S163 PolarHBondContact O-OG 2.81Å; R160-S163 VanDerWaalsContact O-OG 3.09Å; R160-F188 HydrophobicContact CB-CD2 4.2Å; R160-F188 HydrophobicContact CB-CE2 4.07Å; R160-F188 HydrophobicContact CG-CB 4.33Å; R160-F188 HydrophobicContact CG-CD1 4.42Å; R160-F188 HydrophobicContact CG-CD2 3.22Å; R160-F188 HydrophobicContact CG-CE2 3.47Å; R160-F188 VanDerWaalsContact CG-CE2 3.47Å; R160-F188 HydrophobicContact CG-CG 3.73Å; R160-F188 HydrophobicContact CG-CZ 4.16Å; R160-F188 VanDerWaalsContact CZ-CB 3.48Å; R160-F188 VanDerWaalsContact CZ-CG 3.47Å
161D62.2Low68Low108 Ų10827.9 Ų27.958%0.57814%0.136SC*.Hα-helixtrans-78.7-35.8-173.8-58.4-34000111.4T159 S163T159-D161 VanDerWaalsContact C-N 3.34Å; D161-S163 VanDerWaalsContact C-N 3.33Å; D161-S163 PolarHBondContact O-N 3.2Å
162E68.1Low69.5Low21 Ų2130.3 Ų30.310%0.09815%0.148CC..Hα-helixtrans-64.3-39.1174.6-75.6158-164.500112.1A158 T159 M164 N165 Y166 A379 K380A158-E162 HydrophobicContact CB-CB 4.26Å; T159-E162 WeakPolarHBondContact CG2-OE2 3.5Å; T159-E162 PolarHBondContact N-OE2 2.83Å; T159-E162 VanDerWaalsContact N-OE2 3.1Å; T159-E162 WeakPolarHBondContact OG1-CB 3.39Å; T159-E162 WeakPolarHBondContact OG1-CG 3.32Å; T159-E162 PolarHBondContact OG1-N 3.43Å; T159-E162 PolarHBondContact OG1-OE1 2.86Å; T159-E162 PolarHBondContact OG1-OE2 3.35Å; E162-M164 PolarHBondContact O-N 3.5Å; E162-M164 VanDerWaalsContact O-N 3.09Å; E162-N165 WeakPolarHBondContact O-CB 3.23Å; E162-N165 PolarHBondContact O-N 3.24Å; E162-Y166 HydrophobicContact CB-CE2 4.44Å; E162-Y166 WeakPolarHBondContact O-CD2 3.38Å; E162-Y166 WeakPolarHBondContact O-CE2 3.39Å; E162-A379 WeakPolarHBondContact OE1-CA 3.14Å; E162-K380 HydrophobicContact CG-CB 4.38Å; E162-K380 PolarHBondContact OE1-N 2.85Å; E162-K380 WeakPolarHBondContact OE2-CB 3.37Å; E162-K380 WeakPolarHBondContact OE2-CG 3.31Å; E162-K380 PolarHBondContact OE2-N 2.72Å; E162-K380 VanDerWaalsContact OE2-N 3.09Å
163S71.4Confident70.9Confident0 Ų036.3 Ų36.30%018%0.175CC..Hα-helixtrans-59.4-28.6-173.277.60000112.8T159 R160 D161 N165 Y166 C168 S190T159-S163 WeakPolarHBondContact O-CB 3.4Å; T159-S163 PolarHBondContact O-N 3.17Å; T159-S163 VanDerWaalsContact O-N 3.1Å; R160-S163 PolarHBondContact O-OG 2.81Å; R160-S163 VanDerWaalsContact O-OG 3.09Å; D161-S163 VanDerWaalsContact C-N 3.33Å; D161-S163 PolarHBondContact O-N 3.2Å; S163-N165 PolarHBondContact O-N 2.96Å; S163-N165 VanDerWaalsContact O-N 3.16Å; S163-Y166 PolarHBondContact O-N 2.84Å; S163-C168 PolarHBondContact O-SG 3.34Å; S163-S190 WeakPolarHBondContact CB-O 3.49Å; S163-S190 PolarHBondContact OG-O 3.14Å
164M74.2Confident72.1Confident73 Ų7343.4 Ų43.436%0.3621%0.213SC..THydrogen-bonded Turntrans-61.2-22.5174.6-57.1-167.4-66.300113.9E162 Y166 K184E162-M164 PolarHBondContact O-N 3.5Å; E162-M164 VanDerWaalsContact O-N 3.09Å; M164-Y166 VanDerWaalsContact C-N 3.28Å; M164-Y166 PolarHBondContact O-N 3.34Å; M164-K184 WeakPolarHBondContact O-CA 3.42Å
165N76.9Confident73.4Confident80 Ų8046.1 Ų46.143%0.42823%0.23SC..THydrogen-bonded Turntrans-84-2.6178.1-64.4-60.3000113.8E162 S163E162-N165 WeakPolarHBondContact O-CB 3.23Å; E162-N165 PolarHBondContact O-N 3.24Å; S163-N165 PolarHBondContact O-N 2.96Å; S163-N165 VanDerWaalsContact O-N 3.16Å
166Y79.1Confident74.7Confident25 Ų2547.3 Ų47.310%0.09824%0.239CC..SBendtrans-128.5170.6-173.8-57.2-85.3000111.6E162 S163 M164 C168 K184 P185 I193 W257 Q259E162-Y166 HydrophobicContact CB-CE2 4.44Å; E162-Y166 WeakPolarHBondContact O-CD2 3.38Å; E162-Y166 WeakPolarHBondContact O-CE2 3.39Å; S163-Y166 PolarHBondContact O-N 2.84Å; M164-Y166 VanDerWaalsContact C-N 3.28Å; M164-Y166 PolarHBondContact O-N 3.34Å; Y166-C168 PolarHBondContact O-N 3.42Å; Y166-K184 WeakPolarHBondContact O-CA 3.35Å; Y166-K184 PolarHBondContact O-N 3.4Å; Y166-P185 WeakPolarHBondContact O-CD 3.25Å; Y166-I193 HydrophobicContact CD1-CD1 4.11Å; Y166-I193 HydrophobicContact CD2-CB 4.47Å; Y166-I193 HydrophobicContact CD2-CD1 3.8Å; Y166-I193 HydrophobicContact CD2-CG2 4.15Å; Y166-I193 HydrophobicContact CE1-CD1 4.32Å; Y166-I193 HydrophobicContact CE2-CD1 4.09Å; Y166-I193 HydrophobicContact CG-CB 4.19Å; Y166-I193 HydrophobicContact CG-CD1 3.84Å; Y166-I193 HydrophobicContact CG-CG2 4.26Å; Y166-W257 HydrophobicContact CD1-CH2 4.2Å; Y166-W257 AromaticContact CE1-CH2 3.65Å; Y166-W257 HydrophobicContact CE1-CH2 3.65Å; Y166-W257 HydrophobicContact CE1-CZ3 4.23Å; Y166-Q259 HydrophobicContact CE1-CG 4.08Å; Y166-Q259 VanDerWaalsContact CE1-OE1 3.25Å
167G78.8Confident76Confident2 Ų249.4 Ų49.42%0.02125%0.249CC..EExtended strand (participates in β ladder)trans-69117.2164.800000111Y181 V182 E183 I193 N194G167-Y181 WeakPolarHBondContact CA-OH 3.09Å; G167-V182 CarbonylContact C-O 3.58Å; G167-V182 WeakPolarHBondContact CA-O 3.42Å; G167-E183 WeakPolarHBondContact CA-OE2 3.19Å; G167-I193 CarbonylContact O-C 3.54Å; G167-I193 WeakPolarHBondContact O-CA 3.45Å; G167-N194 PolarHBondContact O-N 2.77Å
168C84.3Confident77.5Confident0 Ų046.4 Ų46.40%024%0.236CC..EExtended strand (participates in β ladder)trans-96.8155.3177.1-720000111S163 Y166 V182 P185 L189S163-C168 PolarHBondContact O-SG 3.34Å; Y166-C168 PolarHBondContact O-N 3.42Å; C168-V182 PolarHBondContact N-O 2.62Å; C168-V182 PolarHBondContact O-N 3.44Å; C168-P185 HydrophobicContact CB-CG 4.03Å; C168-L189 HydrophobicContact CB-CB 4.02Å; C168-L189 HydrophobicContact CB-CD2 3.83Å; C168-L189 HydrophobicContact CB-CG 4.39Å
169V84.7Confident79.2Confident1 Ų149.9 Ų49.91%0.00625%0.254CS..EExtended strand (participates in β ladder)trans-127.5144.8175.9-66.70000112.6L155 I171 I178 H180 Y181 S190 W192L155-V169 HydrophobicContact CD1-CG2 3.39Å; L155-V169 HydrophobicContact CD2-CG2 4Å; L155-V169 HydrophobicContact CG-CG2 4.37Å; V169-I171 HydrophobicContact CB-CG1 4.26Å; V169-I171 HydrophobicContact CG2-CD1 3.76Å; V169-I171 HydrophobicContact CG2-CG1 3.6Å; V169-I178 HydrophobicContact CB-CG1 4.46Å; V169-I178 HydrophobicContact CB-CG2 3.93Å; V169-I178 HydrophobicContact CG1-CD1 4.25Å; V169-I178 HydrophobicContact CG1-CG1 4.41Å; V169-I178 HydrophobicContact CG1-CG2 3.72Å; V169-H180 CarbonylContact C-O 3.41Å; V169-H180 VanDerWaalsContact CA-O 3.24Å; V169-H180 WeakPolarHBondContact CA-O 3.31Å; V169-Y181 HydrophobicContact CG1-CD2 3.69Å; V169-Y181 HydrophobicContact CG1-CE2 4.46Å; V169-S190 WeakPolarHBondContact O-CB 3.44Å; V169-S190 PolarHBondContact O-OG 3.03Å; V169-W192 HydrophobicContact CG2-CB 4.01Å; V169-W192 PolarHBondContact N-O 3.4Å
170A86.3Confident80.7Confident23 Ų2354.6 Ų54.619%0.1928%0.275CS..EExtended strand (participates in β ladder)trans-92128.7159.200000108.1I178 L179 H180 L189A170-I178 CarbonylContact O-C 3.54Å; A170-I178 WeakPolarHBondContact O-CA 2.89Å; A170-L179 PolarHBondContact O-N 3.24Å; A170-H180 HydrophobicContact CB-CB 3.99Å; A170-H180 PolarHBondContact N-O 2.93Å; A170-H180 PolarHBondContact O-N 3.35Å; A170-L189 HydrophobicContact CB-CD1 4.39Å
171I86.2Confident81.9Confident22 Ų2248.6 Ų48.611%0.11325%0.252CS..EExtended strand (participates in β ladder)trans-121134-174.1-52.9166.8000108.2L155 V169 E177 W192 A250L155-I171 HydrophobicContact CD1-CD1 3.34Å; L155-I171 HydrophobicContact CD1-CG1 4.11Å; V169-I171 HydrophobicContact CB-CG1 4.26Å; V169-I171 HydrophobicContact CG2-CD1 3.76Å; V169-I171 HydrophobicContact CG2-CG1 3.6Å; I171-E177 CarbonylContact C-O 3.48Å; I171-E177 VanDerWaalsContact CA-O 3.26Å; I171-E177 WeakPolarHBondContact CA-O 3.35Å; I171-W192 HydrophobicContact CD1-CB 3.96Å; I171-W192 HydrophobicContact CD1-CG 3.87Å; I171-A250 HydrophobicContact CD1-CB 3.94Å; I171-A250 HydrophobicContact CG1-CB 4.24Å; I171-A250 HydrophobicContact CG2-CB 4.08Å
172E88.4Confident83.1Confident52 Ų5246.2 Ų46.224%0.24324%0.242CC..  trans-75.3123.3165.9-162.7-70.4148.900108.8N174 T175 A176 E177 L179E172-N174 PolarHBondContact O-N 3.24Å; E172-N174 WeakPolarHBondContact OE1-CB 3.36Å; E172-N174 PolarHBondContact OE1-N 3.45Å; E172-N174 PolarHBondContact OE1-ND2 3.16Å; E172-N174 WeakPolarHBondContact OE2-CA 3.41Å; E172-N174 PolarHBondContact OE2-N 3.43Å; E172-T175 WeakPolarHBondContact OE2-CA 3.38Å; E172-T175 VanDerWaalsContact OE2-CB 3.3Å; E172-T175 WeakPolarHBondContact OE2-CB 3.18Å; E172-T175 WeakPolarHBondContact OE2-CG2 3.39Å; E172-T175 PolarHBondContact OE2-N 3.22Å; E172-T175 PolarHBondContact OE2-OG1 3Å; E172-A176 WeakPolarHBondContact O-CA 3.29Å; E172-A176 PolarHBondContact O-N 3.32Å; E172-E177 HydrophobicContact CB-CB 4.33Å; E172-E177 PolarHBondContact N-O 3.49Å; E172-L179 HydrophobicContact CB-CD1 4.05Å; E172-L179 HydrophobicContact CB-CD2 4.18Å; E172-L179 HydrophobicContact CB-CG 4.12Å
173E84.7Confident84Confident131 Ų13148.2 Ų48.261%0.61225%0.251SS*.THydrogen-bonded Turntrans-70.4-29-166.5-73.9-65153.600114.5K252E173-K252 IonicContact OE1-NZ 2.78Å; E173-K252 PolarHBondContact OE1-NZ 2.98Å; E173-K252 IonicContact OE2-NZ 3.12Å; E173-K252 PolarHBondContact OE2-NZ 3.11Å
174N83.7Confident84.6Confident148 Ų14854 Ų5479%0.79128%0.276SS*.THydrogen-bonded Turntrans-82.5-35.1-175.8-59-57.3000113.1E172E172-N174 PolarHBondContact O-N 3.24Å; E172-N174 WeakPolarHBondContact OE1-CB 3.36Å; E172-N174 PolarHBondContact OE1-N 3.45Å; E172-N174 PolarHBondContact OE1-ND2 3.16Å; E172-N174 WeakPolarHBondContact OE2-CA 3.41Å; E172-N174 PolarHBondContact OE2-N 3.43Å
175T83.3Confident84.9Confident59 Ų5951.1 Ų51.136%0.36226%0.263SS..THydrogen-bonded Turntrans-105.9-16-17263.60000112.4E172 E177E172-T175 WeakPolarHBondContact OE2-CA 3.38Å; E172-T175 VanDerWaalsContact OE2-CB 3.3Å; E172-T175 WeakPolarHBondContact OE2-CB 3.18Å; E172-T175 WeakPolarHBondContact OE2-CG2 3.39Å; E172-T175 PolarHBondContact OE2-N 3.22Å; E172-T175 PolarHBondContact OE2-OG1 3Å; T175-E177 PolarHBondContact O-N 3.45Å; T175-E177 WeakPolarHBondContact OG1-CB 3.41Å; T175-E177 PolarHBondContact OG1-N 3.31Å
176A85.2Confident85.1Confident24 Ų2454 Ų5420%0.19828%0.284CS..  trans59.621-169.600000114E172 Y249 A250E172-A176 WeakPolarHBondContact O-CA 3.29Å; E172-A176 PolarHBondContact O-N 3.32Å; A176-Y249 WeakPolarHBondContact O-CA 3.44Å; A176-A250 HydrophobicContact CB-CB 4.41Å; A176-A250 WeakPolarHBondContact CB-O 3.33Å; A176-A250 WeakPolarHBondContact O-CB 3.46Å; A176-A250 PolarHBondContact O-N 2.85Å
177E87Confident85.3Confident47 Ų4757.8 Ų57.822%0.2231%0.309CS..BIsolated β-bridgetrans-67.2135.4174.6-170.1177143.700111.1I171 E172 T175 L179 G246 Y249I171-E177 CarbonylContact C-O 3.48Å; I171-E177 VanDerWaalsContact CA-O 3.26Å; I171-E177 WeakPolarHBondContact CA-O 3.35Å; E172-E177 HydrophobicContact CB-CB 4.33Å; E172-E177 PolarHBondContact N-O 3.49Å; T175-E177 PolarHBondContact O-N 3.45Å; T175-E177 WeakPolarHBondContact OG1-CB 3.41Å; T175-E177 PolarHBondContact OG1-N 3.31Å; E177-L179 HydrophobicContact CG-CD2 4.47Å; E177-L179 PolarHBondContact O-N 3.44Å; E177-G246 WeakPolarHBondContact OE1-CA 3.45Å; E177-Y249 HydrophobicContact CB-CD1 3.97Å; E177-Y249 HydrophobicContact CB-CE1 3.67Å; E177-Y249 HydrophobicContact CG-CD1 4.41Å; E177-Y249 HydrophobicContact CG-CE1 3.94Å
178I87.9Confident85.4Confident0 Ų060.9 Ų60.90%032%0.322CS..EExtended strand (participates in β ladder)trans-85.8102.1173.3-65.9167.7000108V169 A170 A243 F248 A250V169-I178 HydrophobicContact CB-CG1 4.46Å; V169-I178 HydrophobicContact CB-CG2 3.93Å; V169-I178 HydrophobicContact CG1-CD1 4.25Å; V169-I178 HydrophobicContact CG1-CG1 4.41Å; V169-I178 HydrophobicContact CG1-CG2 3.72Å; A170-I178 CarbonylContact O-C 3.54Å; A170-I178 WeakPolarHBondContact O-CA 2.89Å; I178-A243 HydrophobicContact CG2-CB 4.2Å; I178-F248 HydrophobicContact CB-CB 4.27Å; I178-F248 HydrophobicContact CB-CD1 3.93Å; I178-F248 HydrophobicContact CB-CE1 4.48Å; I178-F248 HydrophobicContact CB-CG 4.05Å; I178-F248 HydrophobicContact CD1-CD1 4.03Å; I178-F248 HydrophobicContact CD1-CD2 3.76Å; I178-F248 HydrophobicContact CD1-CE1 3.96Å; I178-F248 HydrophobicContact CD1-CE2 3.65Å; I178-F248 HydrophobicContact CD1-CG 3.96Å; I178-F248 HydrophobicContact CD1-CZ 3.79Å; I178-F248 HydrophobicContact CG2-CD1 3.8Å; I178-F248 HydrophobicContact CG2-CE1 4.08Å; I178-F248 HydrophobicContact CG2-CG 4.44Å; I178-F248 PolarHBondContact N-O 3.24Å; I178-A250 HydrophobicContact CD1-CB 4.22Å; I178-A250 HydrophobicContact CG1-CB 4.02Å
179L89.9Confident85.2Confident73 Ų7363.9 Ų63.938%0.38234%0.338SS..EExtended strand (participates in β ladder)trans-72.9-39.9-179.5-58.5176.3000111.7A170 E172 E177A170-L179 PolarHBondContact O-N 3.24Å; E172-L179 HydrophobicContact CB-CD1 4.05Å; E172-L179 HydrophobicContact CB-CD2 4.18Å; E172-L179 HydrophobicContact CB-CG 4.12Å; E177-L179 HydrophobicContact CG-CD2 4.47Å; E177-L179 PolarHBondContact O-N 3.44Å
180H88.8Confident85.2Confident119 Ų11964.7 Ų64.755%0.55134%0.344SS*.EExtended strand (participates in β ladder)trans-140.7140.3-179.6-58.1-60.4000110.9V169 A170V169-H180 CarbonylContact C-O 3.41Å; V169-H180 VanDerWaalsContact CA-O 3.24Å; V169-H180 WeakPolarHBondContact CA-O 3.31Å; A170-H180 HydrophobicContact CB-CB 3.99Å; A170-H180 PolarHBondContact N-O 2.93Å; A170-H180 PolarHBondContact O-N 3.35Å
181Y88.8Confident85Confident13 Ų1368.3 Ų68.35%0.05136%0.355CS..EExtended strand (participates in β ladder)trans-117.8129.2168.4178.6-87.3000109.3G167 V169 E183 N194 E235 F239 P240G167-Y181 WeakPolarHBondContact CA-OH 3.09Å; V169-Y181 HydrophobicContact CG1-CD2 3.69Å; V169-Y181 HydrophobicContact CG1-CE2 4.46Å; Y181-E183 HydrophobicContact CE1-CB 4.02Å; Y181-E183 PolarHBondContact OH-OE2 2.96Å; Y181-N194 HydrophobicContact CE2-CB 4.38Å; Y181-N194 PolarHBondContact OH-ND2 3.19Å; Y181-E235 HydrophobicContact CE1-CB 4.37Å; Y181-E235 WeakPolarHBondContact CE1-O 3.25Å; Y181-E235 WeakPolarHBondContact OH-CG 3.5Å; Y181-F239 HydrophobicContact CD1-CB 3.7Å; Y181-F239 HydrophobicContact CD2-CB 4.04Å; Y181-F239 HydrophobicContact CD2-CD2 4.31Å; Y181-F239 HydrophobicContact CE1-CB 4.04Å; Y181-F239 HydrophobicContact CE1-CD2 4.28Å; Y181-F239 HydrophobicContact CE2-CB 4.35Å; Y181-F239 AromaticContact CE2-CD2 3.88Å; Y181-F239 HydrophobicContact CE2-CD2 3.88Å; Y181-F239 HydrophobicContact CG-CB 3.7Å; Y181-F239 AromaticContact CZ-CD2 3.84Å; Y181-P240 HydrophobicContact CD1-CG 4.06Å
182V87.3Confident85Confident58 Ų5869.2 Ų69.235%0.35236%0.357SS..EExtended strand (participates in β ladder)trans-130.5115.2178.3-171.80000109.3G167 C168 K184 P185 L189G167-V182 CarbonylContact C-O 3.58Å; G167-V182 WeakPolarHBondContact CA-O 3.42Å; C168-V182 PolarHBondContact N-O 2.62Å; C168-V182 PolarHBondContact O-N 3.44Å; V182-K184 PolarHBondContact O-N 2.95Å; V182-P185 HydrophobicContact CB-CB 4.3Å; V182-P185 HydrophobicContact CG1-CB 3.72Å; V182-L189 HydrophobicContact CB-CD2 4.08Å; V182-L189 HydrophobicContact CG2-CD2 3.77Å
183E87Confident84.9Confident63 Ų6366.8 Ų66.829%0.29435%0.346SS..EExtended strand (participates in β ladder)trans-74.4116.8175.1-178.659.9-162.700110.3G167 Y181 E235G167-E183 WeakPolarHBondContact CA-OE2 3.19Å; Y181-E183 HydrophobicContact CE1-CB 4.02Å; Y181-E183 PolarHBondContact OH-OE2 2.96Å; E183-E235 HydrophobicContact CG-CB 4.39Å
184K83.7Confident85Confident122 Ų12261.1 Ų61.153%0.5332%0.32SS..SBendtrans50.167176.1-63.6173.3-173.7167.90112.6M164 Y166 V182M164-K184 WeakPolarHBondContact O-CA 3.42Å; Y166-K184 WeakPolarHBondContact O-CA 3.35Å; Y166-K184 PolarHBondContact O-N 3.4Å; V182-K184 PolarHBondContact O-N 2.95Å
185P80.9Confident85Confident11 Ų1154.1 Ų54.17%0.07128%0.282CS..  trans-65.9146.2-172.932.6-38.7000111.2Y166 C168 V182 T187Y166-P185 WeakPolarHBondContact O-CD 3.25Å; C168-P185 HydrophobicContact CB-CG 4.03Å; V182-P185 HydrophobicContact CB-CB 4.3Å; V182-P185 HydrophobicContact CG1-CB 3.72Å; P185-T187 VanDerWaalsContact C-N 3.34Å; P185-T187 VanDerWaalsContact CB-O 3.32Å; P185-T187 WeakPolarHBondContact CB-O 3.47Å
186T82Confident85.3Confident142 Ų14251.4 Ų51.487%0.87127%0.266SS*.SBendtrans-77.6-22.4175.151.50000112.7
187T82.6Confident85.7Confident104 Ų10450.3 Ų50.364%0.63826%0.257SS*.SBendtrans-122.3149.9175.455.60000109.7P185 L189P185-T187 VanDerWaalsContact C-N 3.34Å; P185-T187 VanDerWaalsContact CB-O 3.32Å; P185-T187 WeakPolarHBondContact CB-O 3.47Å; T187-L189 PolarHBondContact O-N 3.5Å
188F81.8Confident85.9Confident66 Ų6648.1 Ų48.129%0.28925%0.247SC..  trans-61.1125.3-179.9173.2-100000111.3R160 S190 K191R160-F188 HydrophobicContact CB-CD2 4.2Å; R160-F188 HydrophobicContact CB-CE2 4.07Å; R160-F188 HydrophobicContact CG-CB 4.33Å; R160-F188 HydrophobicContact CG-CD1 4.42Å; R160-F188 HydrophobicContact CG-CD2 3.22Å; R160-F188 HydrophobicContact CG-CE2 3.47Å; R160-F188 VanDerWaalsContact CG-CE2 3.47Å; R160-F188 HydrophobicContact CG-CG 3.73Å; R160-F188 HydrophobicContact CG-CZ 4.16Å; R160-F188 VanDerWaalsContact CZ-CB 3.48Å; R160-F188 VanDerWaalsContact CZ-CG 3.47Å; F188-S190 VanDerWaalsContact CE2-C 3.4Å; F188-S190 VanDerWaalsContact CE2-O 3.31Å; F188-S190 WeakPolarHBondContact CE2-O 3.37Å; F188-K191 HydrophobicContact CE2-CG 4.08Å; F188-K191 HydrophobicContact CZ-CG 4.05Å
189L79.9Confident86Confident63 Ų6348.1 Ų48.133%0.3325%0.247SC..  trans-104-60.4175.6-178.166.7000111.2C168 A170 V182 T187C168-L189 HydrophobicContact CB-CB 4.02Å; C168-L189 HydrophobicContact CB-CD2 3.83Å; C168-L189 HydrophobicContact CB-CG 4.39Å; A170-L189 HydrophobicContact CB-CD1 4.39Å; V182-L189 HydrophobicContact CB-CD2 4.08Å; V182-L189 HydrophobicContact CG2-CD2 3.77Å; T187-L189 PolarHBondContact O-N 3.5Å
190S83.5Confident86Confident18 Ų1844.6 Ų44.613%0.12623%0.228CC..  trans-156.6171.9179.380.20000111.4S163 V169 F188 W192S163-S190 WeakPolarHBondContact CB-O 3.49Å; S163-S190 PolarHBondContact OG-O 3.14Å; V169-S190 WeakPolarHBondContact O-CB 3.44Å; V169-S190 PolarHBondContact O-OG 3.03Å; F188-S190 VanDerWaalsContact CE2-C 3.4Å; F188-S190 VanDerWaalsContact CE2-O 3.31Å; F188-S190 WeakPolarHBondContact CE2-O 3.37Å; S190-W192 VanDerWaalsContact C-N 3.35Å; S190-W192 PolarHBondContact OG-N 3.41Å; S190-W192 PolarHBondContact OG-O 2.88Å
191K82.9Confident86Confident99 Ų9939.2 Ų39.243%0.4320%0.204SC..SBendtrans-88.1-1.2173.4-71.2-175.8-176.7-179.50113.2K157 A158 F188K157-K191 HydrophobicContact CG-CB 4.48Å; A158-K191 PolarHBondContact N-O 2.66Å; A158-K191 WeakPolarHBondContact O-CB 3.42Å; F188-K191 HydrophobicContact CE2-CG 4.08Å; F188-K191 HydrophobicContact CZ-CG 4.05Å
192W85.7Confident86Confident42 Ų4240.7 Ų40.716%0.15921%0.214CC..EExtended strand (participates in β ladder)trans-97.2114.8-176.6-66.5110.9000109.9L155 K157 V169 I171 S190 K252L155-W192 HydrophobicContact CB-CB 4.38Å; L155-W192 HydrophobicContact CB-CE3 4.04Å; L155-W192 HydrophobicContact CD1-CB 4.19Å; K157-W192 HydrophobicContact CB-CE3 4.22Å; K157-W192 HydrophobicContact CB-CH2 4.09Å; K157-W192 HydrophobicContact CB-CZ3 3.79Å; K157-W192 HydrophobicContact CD-CH2 4.16Å; K157-W192 HydrophobicContact CD-CZ2 4.35Å; K157-W192 HydrophobicContact CG-CH2 4.37Å; K157-W192 HydrophobicContact CG-CZ3 4.43Å; V169-W192 HydrophobicContact CG2-CB 4.01Å; V169-W192 PolarHBondContact N-O 3.4Å; I171-W192 HydrophobicContact CD1-CB 3.96Å; I171-W192 HydrophobicContact CD1-CG 3.87Å; S190-W192 VanDerWaalsContact C-N 3.35Å; S190-W192 PolarHBondContact OG-N 3.41Å; S190-W192 PolarHBondContact OG-O 2.88Å; W192-K252 HydrophobicContact CD2-CD 4.42Å; W192-K252 HydrophobicContact CD2-CG 4.11Å; W192-K252 HydrophobicContact CE3-CB 4.39Å; W192-K252 HydrophobicContact CE3-CG 4.09Å; W192-K252 HydrophobicContact CH2-CB 3.67Å; W192-K252 HydrophobicContact CH2-CD 4.12Å; W192-K252 HydrophobicContact CH2-CG 3.89Å; W192-K252 HydrophobicContact CZ2-CB 4.13Å; W192-K252 HydrophobicContact CZ2-CD 3.65Å; W192-K252 HydrophobicContact CZ2-CG 3.88Å; W192-K252 HydrophobicContact CZ3-CB 3.8Å; W192-K252 HydrophobicContact CZ3-CG 3.98Å
193I85.5Confident86.1Confident0 Ų041.2 Ų41.20%022%0.215CC..EExtended strand (participates in β ladder)trans-111155.4-17160.6161.3000113.2L155 F156 A158 Y166 G167 C195 W257L155-I193 WeakPolarHBondContact CD2-O 3.48Å; F156-I193 WeakPolarHBondContact O-CG1 3.37Å; F156-I193 PolarHBondContact O-N 2.64Å; A158-I193 HydrophobicContact CB-CD1 3.79Å; A158-I193 HydrophobicContact CB-CG1 3.96Å; A158-I193 HydrophobicContact CB-CG2 3.83Å; Y166-I193 HydrophobicContact CD1-CD1 4.11Å; Y166-I193 HydrophobicContact CD2-CB 4.47Å; Y166-I193 HydrophobicContact CD2-CD1 3.8Å; Y166-I193 HydrophobicContact CD2-CG2 4.15Å; Y166-I193 HydrophobicContact CE1-CD1 4.32Å; Y166-I193 HydrophobicContact CE2-CD1 4.09Å; Y166-I193 HydrophobicContact CG-CB 4.19Å; Y166-I193 HydrophobicContact CG-CD1 3.84Å; Y166-I193 HydrophobicContact CG-CG2 4.26Å; G167-I193 CarbonylContact O-C 3.54Å; G167-I193 WeakPolarHBondContact O-CA 3.45Å; I193-C195 PolarHBondContact O-N 3.34Å; I193-W257 HydrophobicContact CD1-CE3 4.39Å; I193-W257 HydrophobicContact CD1-CH2 3.95Å; I193-W257 HydrophobicContact CD1-CZ3 3.64Å
194N86.8Confident86.3Confident12 Ų1238.2 Ų38.26%0.06420%0.201CC..EExtended strand (participates in β ladder)trans-64.1122.8166.5-167.81.2000110.5R153 G167 Y181 G196 Y198R153-N194 VanDerWaalsContact CZ-CG 3.45Å; G167-N194 PolarHBondContact O-N 2.77Å; Y181-N194 HydrophobicContact CE2-CB 4.38Å; Y181-N194 PolarHBondContact OH-ND2 3.19Å; N194-G196 PolarHBondContact OD1-N 3.03Å; N194-Y198 PolarHBondContact ND2-OH 3.12Å; N194-Y198 WeakPolarHBondContact OD1-CE1 3.41Å; N194-Y198 PolarHBondContact OD1-OH 2.62Å
195C85.4Confident86.8Confident1 Ų133 Ų331%0.00718%0.178CC..EExtended strand (participates in β ladder)trans-109.20.6-177.669.50000114.1V129 A154 F156 I193 W257V129-C195 WeakPolarHBondContact CG1-O 3.48Å; A154-C195 PolarHBondContact O-SG 3.2Å; F156-C195 HydrophobicContact CB-CB 4.49Å; F156-C195 HydrophobicContact CD2-CB 3.2Å; F156-C195 WeakPolarHBondContact CD2-SG 3.47Å; F156-C195 HydrophobicContact CE2-CB 3.64Å; F156-C195 WeakPolarHBondContact CE2-SG 3.33Å; F156-C195 HydrophobicContact CG-CB 4.15Å; I193-C195 PolarHBondContact O-N 3.34Å; C195-W257 HydrophobicContact CB-CD2 4.25Å; C195-W257 HydrophobicContact CB-CG 4.36Å; C195-W257 HydrophobicContact CB-CZ2 4.13Å; C195-W257 PolarHBondContact O-NE1 3.1Å
196G89.7Confident87.3Confident2 Ų237.5 Ų37.52%0.02120%0.202CC..EExtended strand (participates in β ladder)trans75.221.2-178.600000114.8L125 N126 N194 Y198L125-G196 CarbonylContact C-O 3.45Å; L125-G196 WeakPolarHBondContact CA-O 3.22Å; N126-G196 PolarHBondContact N-O 3.43Å; N126-G196 WeakPolarHBondContact ND2-CA 3.35Å; N194-G196 PolarHBondContact OD1-N 3.03Å; G196-Y198 WeakPolarHBondContact CA-OH 3.2Å
197V92.3Very high87.8Confident2 Ų232.4 Ų32.41%0.01217%0.168CC..EExtended strand (participates in β ladder)trans-130.4123.6179.4-179.60000110.2V124 L125 V129 F133 L135 M138 A154V124-V197 WeakPolarHBondContact O-CA 3.27Å; L125-V197 HydrophobicContact CD2-CG1 4.49Å; L125-V197 HydrophobicContact CD2-CG2 4.44Å; L125-V197 HydrophobicContact CG-CG1 4.16Å; L125-V197 HydrophobicContact CG-CG2 4.3Å; V129-V197 HydrophobicContact CG2-CG2 4.39Å; F133-V197 HydrophobicContact CD1-CG2 3.89Å; F133-V197 HydrophobicContact CE1-CG2 3.74Å; L135-V197 HydrophobicContact CD2-CG1 3.7Å; M138-V197 HydrophobicContact CE-CG1 4.2Å; M138-V197 HydrophobicContact SD-CG1 4.01Å; A154-V197 HydrophobicContact CB-CB 4.27Å; A154-V197 HydrophobicContact CB-CG1 4.37Å; A154-V197 PolarHBondContact N-O 3.04Å
198Y91.1Very high88.3Confident0 Ų027.4 Ų27.40%014%0.137CC..EExtended strand (participates in β ladder)trans-137.1150.3-169.7-42.7-67.4000111.5F123 V124 R153 N194 G196 M200 F239F123-Y198 CarbonylContact C-O 3.5Å; F123-Y198 VanDerWaalsContact CA-O 3.22Å; F123-Y198 WeakPolarHBondContact CA-O 3.21Å; V124-Y198 HydrophobicContact CB-CD2 3.92Å; V124-Y198 HydrophobicContact CG1-CD2 3.99Å; V124-Y198 PolarHBondContact N-O 3.35Å; V124-Y198 WeakPolarHBondContact O-CD2 3.33Å; V124-Y198 PolarHBondContact O-N 3.13Å; R153-Y198 HydrophobicContact CB-CD1 4.24Å; R153-Y198 HydrophobicContact CG-CD1 3.81Å; R153-Y198 HydrophobicContact CG-CE1 4.03Å; N194-Y198 PolarHBondContact ND2-OH 3.12Å; N194-Y198 WeakPolarHBondContact OD1-CE1 3.41Å; N194-Y198 PolarHBondContact OD1-OH 2.62Å; G196-Y198 WeakPolarHBondContact CA-OH 3.2Å; Y198-M200 HydrophobicContact CD2-CE 3.91Å; Y198-M200 HydrophobicContact CG-CE 3.81Å; Y198-F239 HydrophobicContact CD1-CZ 4.06Å; Y198-F239 AromaticContact CE1-CE2 3.95Å; Y198-F239 HydrophobicContact CE1-CE2 3.95Å; Y198-F239 AromaticContact CE1-CZ 3.55Å; Y198-F239 HydrophobicContact CE1-CZ 3.55Å; Y198-F239 HydrophobicContact CE2-CZ 4.29Å; Y198-F239 AromaticContact CZ-CE2 3.96Å; Y198-F239 AromaticContact CZ-CZ 3.67Å
199L90.4Very high89Confident0 Ų025.7 Ų25.70%014%0.135CC..EExtended strand (participates in β ladder)trans-123.9113167.5173.561.4000108.1A121 F123 M138 Y139 Y142 L151 C152A121-L199 HydrophobicContact CB-CD1 4.02Å; F123-L199 HydrophobicContact CD1-CB 4.17Å; F123-L199 HydrophobicContact CD1-CD1 4.14Å; F123-L199 HydrophobicContact CD2-CD1 4.26Å; F123-L199 HydrophobicContact CE1-CB 4.08Å; F123-L199 HydrophobicContact CE1-CD1 3.97Å; F123-L199 HydrophobicContact CE1-CD2 4.39Å; F123-L199 HydrophobicContact CE1-CG 4.38Å; F123-L199 HydrophobicContact CE2-CD1 4.06Å; F123-L199 HydrophobicContact CG-CD1 4.3Å; F123-L199 HydrophobicContact CZ-CD1 3.94Å; F123-L199 HydrophobicContact CZ-CD2 4.46Å; M138-L199 HydrophobicContact CE-CB 4.29Å; Y139-L199 HydrophobicContact CD2-CD1 4.4Å; Y139-L199 HydrophobicContact CD2-CD2 4.01Å; Y142-L199 VanDerWaalsContact CB-CD2 3.48Å; Y142-L199 HydrophobicContact CD1-CD2 4.06Å; Y142-L199 HydrophobicContact CD2-CD2 3.83Å; Y142-L199 HydrophobicContact CD2-CG 4.17Å; Y142-L199 HydrophobicContact CG-CD2 3.51Å; Y142-L199 HydrophobicContact CG-CG 4.21Å; L151-L199 WeakPolarHBondContact CD1-O 3.47Å; C152-L199 PolarHBondContact N-O 3.39Å; C152-L199 PolarHBondContact O-N 2.85Å
200M89.9Confident89.6Confident0 Ų028 Ų280%015%0.148CC..EExtended strand (participates in β ladder)trans-111.6142-170.4-37.9-154.1158.900111.5A121 F122 V124 L151 Y198 I204 F234A121-M200 VanDerWaalsContact CA-O 3.31Å; A121-M200 WeakPolarHBondContact CA-O 3.42Å; A121-M200 WeakPolarHBondContact CB-O 3.39Å; F122-M200 HydrophobicContact CD1-CB 4.17Å; F122-M200 HydrophobicContact CE1-CB 3.7Å; F122-M200 HydrophobicContact CE1-CG 4.47Å; F122-M200 HydrophobicContact CE2-CB 4.34Å; F122-M200 HydrophobicContact CE2-CG 4.25Å; F122-M200 HydrophobicContact CE2-SD 4.25Å; F122-M200 HydrophobicContact CZ-CB 3.8Å; F122-M200 HydrophobicContact CZ-CG 4.1Å; F122-M200 HydrophobicContact CZ-SD 4.03Å; F122-M200 PolarHBondContact N-O 2.96Å; F122-M200 PolarHBondContact O-N 3.45Å; V124-M200 HydrophobicContact CB-CE 4.01Å; V124-M200 HydrophobicContact CG2-CE 3.88Å; V124-M200 HydrophobicContact CG2-CG 4.02Å; V124-M200 HydrophobicContact CG2-SD 3.85Å; L151-M200 HydrophobicContact CD1-CB 3.69Å; L151-M200 HydrophobicContact CD1-CE 3.81Å; L151-M200 HydrophobicContact CD1-CG 3.29Å; L151-M200 HydrophobicContact CD1-SD 3.84Å; Y198-M200 HydrophobicContact CD2-CE 3.91Å; Y198-M200 HydrophobicContact CG-CE 3.81Å; M200-I204 HydrophobicContact CB-CB 4.42Å; M200-I204 HydrophobicContact CB-CG2 4.1Å; M200-I204 HydrophobicContact SD-CG1 3.96Å; M200-I204 HydrophobicContact SD-CG2 4.32Å; M200-F234 HydrophobicContact CE-CD1 4.48Å; M200-F234 HydrophobicContact CE-CE1 3.77Å; M200-F234 HydrophobicContact CE-CE2 4.1Å; M200-F234 HydrophobicContact CE-CZ 3.57Å; M200-F234 HydrophobicContact SD-CE1 4.3Å; M200-F234 HydrophobicContact SD-CZ 4.1Å
201S88.5Confident90Very high5 Ų527.4 Ų27.44%0.03514%0.143CC..EExtended strand (participates in β ladder)trans-78165.716589.90000110.1Y142 N150 D203 I204Y142-S201 WeakPolarHBondContact OH-CA 3.44Å; Y142-S201 WeakPolarHBondContact OH-CB 3.44Å; N150-S201 WeakPolarHBondContact CA-OG 3.02Å; N150-S201 PolarHBondContact O-N 3.02Å; N150-S201 PolarHBondContact O-OG 3.02Å; S201-D203 PolarHBondContact O-N 3.43Å; S201-D203 WeakPolarHBondContact OG-CB 3.45Å; S201-D203 PolarHBondContact OG-N 3.11Å; S201-D203 VanDerWaalsContact OG-N 3.14Å; S201-I204 WeakPolarHBondContact O-CB 3.34Å; S201-I204 WeakPolarHBondContact O-CG2 3.31Å; S201-I204 PolarHBondContact O-N 2.91Å
202T89.3Confident90.5Very high44 Ų4424.9 Ų24.927%0.2713%0.133SC..THydrogen-bonded Turntrans-65.9-22.7174.852.30000113.3L115 L119 I204 F205L115-T202 HydrophobicContact CD2-CG2 3.6Å; L119-T202 HydrophobicContact CB-CG2 4.34Å; L119-T202 HydrophobicContact CD2-CG2 4.21Å; L119-T202 HydrophobicContact CG-CG2 4.23Å; L119-T202 WeakPolarHBondContact O-CG2 3.34Å; T202-I204 PolarHBondContact O-N 3.2Å; T202-I204 VanDerWaalsContact O-N 3.15Å; T202-F205 VanDerWaalsContact O-CD2 3.26Å; T202-F205 WeakPolarHBondContact O-CD2 3.24Å; T202-F205 PolarHBondContact O-N 3.13Å
203D89Confident90.8Very high70 Ų7028.4 Ų28.437%0.37415%0.149SC..THydrogen-bonded Turntrans-65.7-17.9179.2-61.5-42.3000112.7N150 S201 F205 N206 F207N150-D203 WeakPolarHBondContact OD1-CB 3.35Å; S201-D203 PolarHBondContact O-N 3.43Å; S201-D203 WeakPolarHBondContact OG-CB 3.45Å; S201-D203 PolarHBondContact OG-N 3.11Å; S201-D203 VanDerWaalsContact OG-N 3.14Å; D203-F205 PolarHBondContact O-N 2.66Å; D203-F205 VanDerWaalsContact O-N 3.13Å; D203-N206 WeakPolarHBondContact O-CB 3.19Å; D203-N206 PolarHBondContact O-N 3.25Å; D203-N206 VanDerWaalsContact O-N 3.07Å; D203-F207 PolarHBondContact O-N 3.03Å
204I91Very high90.9Very high0 Ų030.8 Ų30.80%017%0.169CC..Hα-helixtrans-55.4-30.5173.5-163.959.4000112F122 M200 S201 T202 N206 F207 L208 L242F122-I204 HydrophobicContact CE1-CG2 3.8Å; F122-I204 HydrophobicContact CZ-CG2 3.76Å; M200-I204 HydrophobicContact CB-CB 4.42Å; M200-I204 HydrophobicContact CB-CG2 4.1Å; M200-I204 HydrophobicContact SD-CG1 3.96Å; M200-I204 HydrophobicContact SD-CG2 4.32Å; S201-I204 WeakPolarHBondContact O-CB 3.34Å; S201-I204 WeakPolarHBondContact O-CG2 3.31Å; S201-I204 PolarHBondContact O-N 2.91Å; T202-I204 PolarHBondContact O-N 3.2Å; T202-I204 VanDerWaalsContact O-N 3.15Å; I204-N206 PolarHBondContact O-N 3.34Å; I204-F207 HydrophobicContact CD1-CB 4.37Å; I204-F207 WeakPolarHBondContact O-CB 3.08Å; I204-F207 PolarHBondContact O-N 3.12Å; I204-L208 HydrophobicContact CG1-CD1 4.35Å; I204-L208 HydrophobicContact CG1-CG 4.34Å; I204-L208 VanDerWaalsContact O-CG 3.3Å; I204-L208 WeakPolarHBondContact O-CG 3.39Å; I204-L208 PolarHBondContact O-N 3.35Å; I204-L242 HydrophobicContact CD1-CD1 4.4Å; I204-L242 HydrophobicContact CD1-CD2 4.06Å
205F94.1Very high90.9Very high11 Ų1132.9 Ų32.95%0.04818%0.177CC..Hα-helixtrans-69.3-33.5-180-66.1-66000112.7I107 R111 I114 L115 F122 T202 D203 F207 L208 A209I107-F205 HydrophobicContact CG2-CE1 3.92Å; I107-F205 HydrophobicContact CG2-CZ 4.45Å; R111-F205 HydrophobicContact CB-CD1 3.37Å; R111-F205 HydrophobicContact CB-CE1 3.46Å; R111-F205 VanDerWaalsContact CB-CE1 3.46Å; R111-F205 HydrophobicContact CB-CG 4.07Å; R111-F205 HydrophobicContact CB-CZ 4.22Å; I114-F205 HydrophobicContact CB-CZ 4.01Å; I114-F205 HydrophobicContact CD1-CE1 4.29Å; I114-F205 HydrophobicContact CD1-CZ 4.1Å; I114-F205 HydrophobicContact CG2-CE2 4.28Å; I114-F205 HydrophobicContact CG2-CZ 3.77Å; L115-F205 HydrophobicContact CD1-CD2 3.83Å; L115-F205 HydrophobicContact CD1-CE2 4.18Å; L115-F205 HydrophobicContact CD1-CG 4.33Å; L115-F205 HydrophobicContact CD2-CD2 3.73Å; L115-F205 HydrophobicContact CD2-CE2 3.67Å; L115-F205 HydrophobicContact CG-CD2 3.85Å; L115-F205 HydrophobicContact CG-CE2 3.71Å; L115-F205 HydrophobicContact CG-CZ 4.49Å; F122-F205 HydrophobicContact CD1-CE2 4.5Å; F122-F205 AromaticContact CE1-CE2 3.64Å; F122-F205 HydrophobicContact CE1-CE2 3.64Å; F122-F205 AromaticContact CE1-CZ 3.78Å; F122-F205 HydrophobicContact CE1-CZ 3.78Å; F122-F205 HydrophobicContact CE2-CZ 4.34Å; F122-F205 HydrophobicContact CZ-CE1 4.32Å; F122-F205 AromaticContact CZ-CE2 3.92Å; F122-F205 HydrophobicContact CZ-CE2 3.92Å; F122-F205 AromaticContact CZ-CZ 3.56Å; F122-F205 HydrophobicContact CZ-CZ 3.56Å; T202-F205 VanDerWaalsContact O-CD2 3.26Å; T202-F205 WeakPolarHBondContact O-CD2 3.24Å; T202-F205 PolarHBondContact O-N 3.13Å; D203-F205 PolarHBondContact O-N 2.66Å; D203-F205 VanDerWaalsContact O-N 3.13Å; F205-F207 VanDerWaalsContact C-N 3.3Å; F205-L208 HydrophobicContact CD1-CD1 4.26Å; F205-L208 PolarHBondContact O-N 2.98Å; F205-A209 WeakPolarHBondContact O-CB 3.45Å; F205-A209 PolarHBondContact O-N 3Å
206N92.8Very high90.8Very high106 Ų10636 Ų3657%0.56720%0.196SC*.Hα-helixtrans-64.7-40.7171.8-66.4-32000110.3D203 I204 A209 N210D203-N206 WeakPolarHBondContact O-CB 3.19Å; D203-N206 PolarHBondContact O-N 3.25Å; D203-N206 VanDerWaalsContact O-N 3.07Å; I204-N206 PolarHBondContact O-N 3.34Å; N206-A209 PolarHBondContact O-N 3.13Å; N206-N210 PolarHBondContact O-N 3.15Å; N206-N210 PolarHBondContact O-ND2 2.74Å
207F91.4Very high90.6Very high35 Ų3542.1 Ų42.115%0.15422%0.224CC..Hα-helixtrans-63.8-46.7175.8-165.2-87.2000111.8D203 I204 F205 A209 N210 V211 V238 K241 L242D203-F207 PolarHBondContact O-N 3.03Å; I204-F207 HydrophobicContact CD1-CB 4.37Å; I204-F207 WeakPolarHBondContact O-CB 3.08Å; I204-F207 PolarHBondContact O-N 3.12Å; F205-F207 VanDerWaalsContact C-N 3.3Å; F207-A209 VanDerWaalsContact C-N 3.32Å; F207-A209 PolarHBondContact O-N 2.78Å; F207-N210 PolarHBondContact O-N 2.69Å; F207-V211 HydrophobicContact CD1-CG2 3.94Å; F207-V211 HydrophobicContact CE1-CG2 3.71Å; F207-V211 WeakPolarHBondContact O-CG2 3.43Å; F207-V211 PolarHBondContact O-N 3.14Å; F207-V238 HydrophobicContact CD1-CG1 3.88Å; F207-V238 HydrophobicContact CE1-CG1 3.81Å; F207-K241 HydrophobicContact CE1-CB 4.12Å; F207-K241 HydrophobicContact CZ-CB 3.59Å; F207-L242 HydrophobicContact CD1-CD1 4.16Å; F207-L242 HydrophobicContact CD2-CD1 3.84Å; F207-L242 HydrophobicContact CE1-CB 4.06Å; F207-L242 HydrophobicContact CE1-CD1 4.16Å; F207-L242 HydrophobicContact CE2-CD1 3.83Å; F207-L242 HydrophobicContact CG-CD1 4Å; F207-L242 HydrophobicContact CZ-CB 3.94Å; F207-L242 HydrophobicContact CZ-CD1 4Å
208L94Very high89.9Confident0 Ų044.4 Ų44.40%024%0.244CC..Hα-helixtrans-62.5-37.2177-69.5174.5000112.1A104 I107 Y108 I204 F205 N210 V211 F212 F234 V238A104-L208 HydrophobicContact CB-CD2 4.19Å; I107-L208 HydrophobicContact CG2-CD1 4.21Å; Y108-L208 HydrophobicContact CD2-CB 3.6Å; Y108-L208 HydrophobicContact CE2-CB 4.28Å; Y108-L208 HydrophobicContact CG-CB 4.19Å; I204-L208 HydrophobicContact CG1-CD1 4.35Å; I204-L208 HydrophobicContact CG1-CG 4.34Å; I204-L208 VanDerWaalsContact O-CG 3.3Å; I204-L208 WeakPolarHBondContact O-CG 3.39Å; I204-L208 PolarHBondContact O-N 3.35Å; F205-L208 HydrophobicContact CD1-CD1 4.26Å; F205-L208 PolarHBondContact O-N 2.98Å; L208-N210 PolarHBondContact O-N 2.93Å; L208-V211 PolarHBondContact O-N 3.49Å; L208-F212 WeakPolarHBondContact O-CB 3.49Å; L208-F212 PolarHBondContact O-N 2.93Å; L208-F234 HydrophobicContact CD2-CE1 4.28Å; L208-V238 HydrophobicContact CD2-CG1 4.1Å; L208-V238 HydrophobicContact CD2-CG2 3.63Å
209A95Very high88.7Confident30 Ų3049.9 Ų49.925%0.24828%0.279CS..Hα-helixtrans-60.9-44.5174.900000112.1Y108 F205 N206 F207 F212 K213Y108-A209 HydrophobicContact CE2-CB 3.79Å; Y108-A209 WeakPolarHBondContact OH-CA 3.03Å; F205-A209 WeakPolarHBondContact O-CB 3.45Å; F205-A209 PolarHBondContact O-N 3Å; N206-A209 PolarHBondContact O-N 3.13Å; F207-A209 VanDerWaalsContact C-N 3.32Å; F207-A209 PolarHBondContact O-N 2.78Å; A209-F212 PolarHBondContact O-N 2.84Å; A209-K213 WeakPolarHBondContact O-CB 3.44Å; A209-K213 PolarHBondContact O-N 3.43Å
210N93.5Very high87.1Confident111 Ų11157 Ų5759%0.59431%0.314SS*.Hα-helixtrans-64.4-40.9176.2-69-25.9000112N206 F207 L208 A214N206-N210 PolarHBondContact O-N 3.15Å; N206-N210 PolarHBondContact O-ND2 2.74Å; F207-N210 PolarHBondContact O-N 2.69Å; L208-N210 PolarHBondContact O-N 2.93Å; N210-A214 WeakPolarHBondContact O-CB 3.33Å; N210-A214 PolarHBondContact O-N 2.95Å
211V91.7Very high85.4Confident5 Ų562.2 Ų62.23%0.0335%0.346CS..Hα-helixtrans-63.8-45.4176.3173.70000111F207 L208 K215 M232 D237 V238 K241F207-V211 HydrophobicContact CD1-CG2 3.94Å; F207-V211 HydrophobicContact CE1-CG2 3.71Å; F207-V211 WeakPolarHBondContact O-CG2 3.43Å; F207-V211 PolarHBondContact O-N 3.14Å; L208-V211 PolarHBondContact O-N 3.49Å; V211-K215 WeakPolarHBondContact O-CB 3.49Å; V211-K215 PolarHBondContact O-N 3.45Å; V211-K215 VanDerWaalsContact O-N 3.1Å; V211-M232 HydrophobicContact CB-SD 4.43Å; V211-M232 HydrophobicContact CG1-SD 3.93Å; V211-D237 HydrophobicContact CG1-CB 3.97Å; V211-V238 HydrophobicContact CG1-CG2 4.49Å; V211-K241 HydrophobicContact CG2-CD 4.11Å
212F92.6Very high83.5Confident47 Ų4769.9 Ų69.921%0.20639%0.387CS..Hα-helixtrans-60.5-51.6177.8-176.2-94.1000111.1Y108 L208 A209 A214 K215 T216 E230 M232Y108-F212 HydrophobicContact CD1-CB 4.17Å; Y108-F212 AromaticContact CD1-CD2 3.91Å; Y108-F212 HydrophobicContact CD1-CD2 3.91Å; Y108-F212 HydrophobicContact CD1-CE2 4.48Å; Y108-F212 HydrophobicContact CD1-CG 4.02Å; Y108-F212 HydrophobicContact CE1-CB 3.72Å; Y108-F212 AromaticContact CE1-CD1 3.84Å; Y108-F212 HydrophobicContact CE1-CD1 3.84Å; Y108-F212 AromaticContact CE1-CD2 3.82Å; Y108-F212 HydrophobicContact CE1-CD2 3.82Å; Y108-F212 HydrophobicContact CE1-CE1 4.4Å; Y108-F212 HydrophobicContact CE1-CE2 4.37Å; Y108-F212 AromaticContact CE1-CG 3.51Å; Y108-F212 HydrophobicContact CE1-CG 3.51Å; L208-F212 WeakPolarHBondContact O-CB 3.49Å; L208-F212 PolarHBondContact O-N 2.93Å; A209-F212 PolarHBondContact O-N 2.84Å; F212-A214 PolarHBondContact O-N 2.68Å; F212-K215 WeakPolarHBondContact O-CB 3.47Å; F212-K215 PolarHBondContact O-N 3.26Å; F212-T216 HydrophobicContact CD1-CG2 4.22Å; F212-T216 HydrophobicContact CE1-CG2 3.83Å; F212-T216 HydrophobicContact CZ-CG2 3.99Å; F212-T216 PolarHBondContact O-N 3.31Å; F212-T216 PolarHBondContact O-OG1 2.83Å; F212-E230 HydrophobicContact CE2-CB 4.18Å; F212-E230 HydrophobicContact CE2-CG 4.14Å; F212-E230 HydrophobicContact CZ-CG 4.21Å; F212-M232 HydrophobicContact CB-CE 4.01Å; F212-M232 HydrophobicContact CB-SD 3.83Å; F212-M232 HydrophobicContact CD2-CE 3.9Å; F212-M232 HydrophobicContact CD2-SD 4.09Å; F212-M232 HydrophobicContact CG-CE 4.43Å; F212-M232 HydrophobicContact CG-SD 4.49Å
213K92Very high81.8Confident115 Ų11571.9 Ų71.950%0.542%0.416SS..Hα-helixtrans-56.2-48.7178.4-177179.3177.8-177.80112.1A209 K215 T216 E217A209-K213 WeakPolarHBondContact O-CB 3.44Å; A209-K213 PolarHBondContact O-N 3.43Å; K213-K215 PolarHBondContact O-N 3.15Å; K213-T216 WeakPolarHBondContact CA-OG1 3.33Å; K213-T216 PolarHBondContact O-N 3.1Å; K213-T216 PolarHBondContact O-OG1 3.08Å; K213-E217 VanDerWaalsContact CE-CD 3.49Å; K213-E217 WeakPolarHBondContact CE-OE1 3.35Å; K213-E217 HydrophobicContact CG-CG 4.36Å; K213-E217 WeakPolarHBondContact CG-OE1 3.46Å; K213-E217 IonicContact NZ-OE1 3.87Å; K213-E217 WeakPolarHBondContact O-CB 3.39Å; K213-E217 WeakPolarHBondContact O-CG 3.47Å; K213-E217 PolarHBondContact O-N 3.4Å
214A89.1Confident80Confident50 Ų5072.1 Ų72.141%0.41342%0.42SS..Hα-helixtrans-61.6-31.4178.600000112.7N210 F212 A218N210-A214 WeakPolarHBondContact O-CB 3.33Å; N210-A214 PolarHBondContact O-N 2.95Å; F212-A214 PolarHBondContact O-N 2.68Å; A214-A218 PolarHBondContact O-N 3.06Å
215K85.9Confident78.1Confident56 Ų5675.6 Ų75.624%0.24344%0.444CS..Hα-helixtrans-76.1-38.9178-170.6170.2-177.8160.70112.3V211 F212 K213 L229 A231 D237V211-K215 WeakPolarHBondContact O-CB 3.49Å; V211-K215 PolarHBondContact O-N 3.45Å; V211-K215 VanDerWaalsContact O-N 3.1Å; F212-K215 WeakPolarHBondContact O-CB 3.47Å; F212-K215 PolarHBondContact O-N 3.26Å; K213-K215 PolarHBondContact O-N 3.15Å; K215-L229 WeakPolarHBondContact CD-O 3.42Å; K215-A231 PolarHBondContact NZ-O 2.92Å; K215-D237 IonicContact NZ-OD1 3.83Å; K215-D237 IonicContact NZ-OD2 3.44Å; K215-D237 PolarHBondContact NZ-OD2 3.2Å
216T83.7Confident76Confident66 Ų6679.1 Ų79.141%0.40547%0.47SS..Hα-helixtrans-74-28.6177.551.50000113.3F212 K213F212-T216 HydrophobicContact CD1-CG2 4.22Å; F212-T216 HydrophobicContact CE1-CG2 3.83Å; F212-T216 HydrophobicContact CZ-CG2 3.99Å; F212-T216 PolarHBondContact O-N 3.31Å; F212-T216 PolarHBondContact O-OG1 2.83Å; K213-T216 WeakPolarHBondContact CA-OG1 3.33Å; K213-T216 PolarHBondContact O-N 3.1Å; K213-T216 PolarHBondContact O-OG1 3.08Å
217E85.2Confident74.2Confident131 Ų13179.8 Ų79.861%0.61247%0.474SS*.Hα-helixtrans-87.2-12.7177.6-69175.7171.700113.2K213K213-E217 VanDerWaalsContact CE-CD 3.49Å; K213-E217 WeakPolarHBondContact CE-OE1 3.35Å; K213-E217 HydrophobicContact CG-CG 4.36Å; K213-E217 WeakPolarHBondContact CG-OE1 3.46Å; K213-E217 IonicContact NZ-OE1 3.87Å; K213-E217 WeakPolarHBondContact O-CB 3.39Å; K213-E217 WeakPolarHBondContact O-CG 3.47Å; K213-E217 PolarHBondContact O-N 3.4Å
218A77Confident73.1Confident51 Ų5179.7 Ų79.742%0.42148%0.478SS..SBendtrans-61.8136.4177.700000110.4A214 M220A214-A218 PolarHBondContact O-N 3.06Å; A218-M220 PolarHBondContact O-N 3.48Å
219P66.2Low72.1Confident114 Ų11482 Ų8274%0.7449%0.489SS*.  trans-53.5129.1176.9-21.830.3000110.1T221P219-T221 PolarHBondContact O-N 3.16Å
220M58.2Low71.6Confident150 Ų15084.2 Ų84.274%0.73950%0.495SS*.  trans-59.597.8176.2-76.9-136.1-6800109.6A218 N222A218-M220 PolarHBondContact O-N 3.48Å; M220-N222 PolarHBondContact O-N 2.89Å
221T53.9Low71.4Confident110 Ų11079.9 Ų79.968%0.67547%0.474SS*.  trans-79.6105.6171.953.40000108.4P219 V224P219-T221 PolarHBondContact O-N 3.16Å; T221-V224 WeakPolarHBondContact O-CG2 3.4Å
222N48.2Very low71.4Confident166 Ų16679.6 Ų79.689%0.88847%0.473SS*.SBendtrans35.688.7164.6-66-10.9000116.6M220 V224M220-N222 PolarHBondContact O-N 2.89Å; N222-V224 PolarHBondContact O-N 3.09Å
223G52.5Low71.4Confident85 Ų8579.3 Ų79.388%0.87648%0.476SS*.SBendtrans81.413.5154.100000116.8S225G223-S225 PolarHBondContact O-N 3.07Å
224V52.2Low71.4Confident76 Ų7673.9 Ų73.946%0.46145%0.452SS..  trans-73.3119169.4-143.10000108.5T221 N222 S228T221-V224 WeakPolarHBondContact O-CG2 3.4Å; N222-V224 PolarHBondContact O-N 3.09Å; V224-S228 WeakPolarHBondContact CG1-OG 3.44Å
225S50.4Low71.4Confident73 Ų7372.9 Ų72.951%0.5144%0.439SS..  trans-57.7145.7178.651.90000111.3G223 D227 S228G223-S225 PolarHBondContact O-N 3.07Å; S225-D227 PolarHBondContact O-N 3.1Å; S225-D227 VanDerWaalsContact O-N 3.13Å; S225-S228 WeakPolarHBondContact O-CB 3.2Å; S225-S228 PolarHBondContact O-N 2.79Å; S225-S228 PolarHBondContact O-OG 3.21Å
226S51.1Low71.5Confident84 Ų8477.5 Ų77.559%0.58746%0.459SS*.G310 helixtrans-56.7-31.7179.765.70000112.7S228 L229S226-S228 PolarHBondContact O-N 3.48Å; S226-L229 WeakPolarHBondContact O-CB 3.48Å; S226-L229 PolarHBondContact O-N 3.09Å
227D54.3Low71.9Confident121 Ų12176 Ų7665%0.64745%0.449SS*.G310 helixtrans-55.4-24175.2-66.3-7.8000113.3S225S225-D227 PolarHBondContact O-N 3.1Å; S225-D227 VanDerWaalsContact O-N 3.13Å
228S67.6Low72.2Confident33 Ų3369.8 Ų69.823%0.23142%0.42CS..G310 helixtrans-85.2-18.4178.774.80000114.3V224 S225 S226 A231V224-S228 WeakPolarHBondContact CG1-OG 3.44Å; S225-S228 WeakPolarHBondContact O-CB 3.2Å; S225-S228 PolarHBondContact O-N 2.79Å; S225-S228 PolarHBondContact O-OG 3.21Å; S226-S228 PolarHBondContact O-N 3.48Å; S228-A231 PolarHBondContact O-N 3.26Å
229L74.5Confident72.8Confident47 Ų4767.4 Ų67.425%0.24640%0.4CS..THydrogen-bonded Turntrans-70.5-37.8-175.2-69.2171.8000111.1K215 S226K215-L229 WeakPolarHBondContact CD-O 3.42Å; S226-L229 WeakPolarHBondContact O-CB 3.48Å; S226-L229 PolarHBondContact O-N 3.09Å
230E83.6Confident73.9Confident78 Ų7864.5 Ų64.536%0.36438%0.381SS..SBendtrans-80.8-20.3179.3-60.8-175.9150.400113Y98 L101 F212 M232Y98-E230 WeakPolarHBondContact CE2-OE2 3.48Å; Y98-E230 VanDerWaalsContact CZ-OE2 3.28Å; Y98-E230 VanDerWaalsContact OH-CD 3.3Å; Y98-E230 PolarHBondContact OH-OE2 3.13Å; L101-E230 HydrophobicContact CD2-CB 4.48Å; F212-E230 HydrophobicContact CE2-CB 4.18Å; F212-E230 HydrophobicContact CE2-CG 4.14Å; F212-E230 HydrophobicContact CZ-CG 4.21Å; E230-M232 PolarHBondContact O-N 3.47Å
231A89.5Confident75.5Confident19 Ų1962.1 Ų62.116%0.15737%0.367CS..  trans-69.1121.117600000110.5L101 K215 S228L101-A231 CarbonylContact O-C 3.57Å; L101-A231 WeakPolarHBondContact O-CA 3.39Å; K215-A231 PolarHBondContact NZ-O 2.92Å; S228-A231 PolarHBondContact O-N 3.26Å
232M92.9Very high77.2Confident0 Ų056.9 Ų56.90%033%0.334CS..  trans-120.1136.5176.4-68.2-167.8-69.600110.8L101 G102 T103 A104 G105 Y108 V211 F212 E230L101-M232 PolarHBondContact O-N 3.04Å; G102-M232 CarbonylContact C-O 3.39Å; G102-M232 WeakPolarHBondContact CA-O 3.44Å; T103-M232 PolarHBondContact N-O 2.85Å; A104-M232 HydrophobicContact CB-CB 3.98Å; A104-M232 PolarHBondContact N-O 3.2Å; G105-M232 PolarHBondContact N-O 2.83Å; Y108-M232 VanDerWaalsContact CB-CE 3.49Å; Y108-M232 HydrophobicContact CD1-CE 3.64Å; Y108-M232 HydrophobicContact CG-CE 3.67Å; V211-M232 HydrophobicContact CB-SD 4.43Å; V211-M232 HydrophobicContact CG1-SD 3.93Å; F212-M232 HydrophobicContact CB-CE 4.01Å; F212-M232 HydrophobicContact CB-SD 3.83Å; F212-M232 HydrophobicContact CD2-CE 3.9Å; F212-M232 HydrophobicContact CD2-SD 4.09Å; F212-M232 HydrophobicContact CG-CE 4.43Å; F212-M232 HydrophobicContact CG-SD 4.49Å; E230-M232 PolarHBondContact O-N 3.47Å
233C91.9Very high79.2Confident41 Ų4149.2 Ų49.228%0.27729%0.294SS..  trans-110.1128.4173.9-60.60000110.3T103 E235 K236 D237T103-C233 VanDerWaalsContact OG1-CA 3.29Å; T103-C233 WeakPolarHBondContact OG1-CA 3.46Å; C233-E235 VanDerWaalsContact C-N 3.26Å; C233-E235 PolarHBondContact O-N 3.34Å; C233-K236 HydrophobicContact CB-CB 4.24Å; C233-K236 PolarHBondContact O-N 2.94Å; C233-D237 PolarHBondContact N-OD2 3.05Å; C233-D237 WeakPolarHBondContact O-CB 3.48Å; C233-D237 PolarHBondContact O-N 3.29Å
234F91.7Very high80.9Confident1 Ų149.4 Ų49.40%0.00429%0.287CS..Iπ-helixtrans-53.4-46.8173.6-84.3-56.8000111.8I18 T103 A104 I107 V124 M200 L208 K236 V238 F239I18-F234 HydrophobicContact CD1-CE2 4.26Å; T103-F234 WeakPolarHBondContact O-CD2 3.14Å; T103-F234 WeakPolarHBondContact O-CE2 3.44Å; T103-F234 PolarHBondContact OG1-N 3.09Å; A104-F234 HydrophobicContact CB-CD1 3.75Å; A104-F234 HydrophobicContact CB-CD2 3.93Å; A104-F234 HydrophobicContact CB-CE1 3.8Å; A104-F234 HydrophobicContact CB-CE2 3.99Å; A104-F234 HydrophobicContact CB-CG 3.79Å; A104-F234 HydrophobicContact CB-CZ 3.91Å; I107-F234 HydrophobicContact CB-CZ 4.37Å; I107-F234 HydrophobicContact CG1-CE2 3.92Å; I107-F234 HydrophobicContact CG1-CZ 3.95Å; I107-F234 HydrophobicContact CG2-CZ 4.48Å; V124-F234 HydrophobicContact CG1-CE2 4.29Å; M200-F234 HydrophobicContact CE-CD1 4.48Å; M200-F234 HydrophobicContact CE-CE1 3.77Å; M200-F234 HydrophobicContact CE-CE2 4.1Å; M200-F234 HydrophobicContact CE-CZ 3.57Å; M200-F234 HydrophobicContact SD-CE1 4.3Å; M200-F234 HydrophobicContact SD-CZ 4.1Å; L208-F234 HydrophobicContact CD2-CE1 4.28Å; F234-K236 VanDerWaalsContact C-N 3.35Å; F234-K236 PolarHBondContact O-N 3.34Å; F234-V238 HydrophobicContact CD1-CB 3.99Å; F234-V238 HydrophobicContact CD1-CG1 4.05Å; F234-V238 HydrophobicContact CD1-CG2 4.02Å; F234-V238 HydrophobicContact CE1-CG1 4.47Å; F234-V238 PolarHBondContact O-N 3Å; F234-F239 HydrophobicContact CB-CD1 4.39Å; F234-F239 HydrophobicContact CB-CD2 4.15Å; F234-F239 HydrophobicContact CB-CE1 3.91Å; F234-F239 HydrophobicContact CB-CE2 3.64Å; F234-F239 HydrophobicContact CB-CZ 3.51Å; F234-F239 HydrophobicContact CD1-CD1 4.43Å; F234-F239 AromaticContact CD1-CE1 3.77Å; F234-F239 HydrophobicContact CD1-CE1 3.77Å; F234-F239 HydrophobicContact CD1-CZ 4.07Å; F234-F239 HydrophobicContact CG-CE1 4.04Å; F234-F239 HydrophobicContact CG-CE2 4.46Å; F234-F239 AromaticContact CG-CZ 3.86Å; F234-F239 HydrophobicContact CG-CZ 3.86Å; F234-F239 WeakPolarHBondContact O-CB 3.43Å; F234-F239 WeakPolarHBondContact O-CD2 3.13Å; F234-F239 VanDerWaalsContact O-CG 3.27Å; F234-F239 WeakPolarHBondContact O-CG 3.16Å; F234-F239 PolarHBondContact O-N 2.79Å
235E89.9Confident82.7Confident28 Ų2848.2 Ų48.213%0.13128%0.282CS..Iπ-helixtrans-65.8-35-173.9-62.182-179.800113.3T103 Y181 E183 C233 P240T103-E235 PolarHBondContact OG1-OE2 3.4Å; Y181-E235 HydrophobicContact CE1-CB 4.37Å; Y181-E235 WeakPolarHBondContact CE1-O 3.25Å; Y181-E235 WeakPolarHBondContact OH-CG 3.5Å; E183-E235 HydrophobicContact CG-CB 4.39Å; C233-E235 VanDerWaalsContact C-N 3.26Å; C233-E235 PolarHBondContact O-N 3.34Å; E235-P240 WeakPolarHBondContact O-CD 3.42Å
236K88.2Confident84.3Confident153 Ų15345.9 Ų45.967%0.66527%0.27SS*.Iπ-helixtrans-100-45-174.8-64.6-174.4177.5-173.90112.7C233 F234C233-K236 HydrophobicContact CB-CB 4.24Å; C233-K236 PolarHBondContact O-N 2.94Å; F234-K236 VanDerWaalsContact C-N 3.35Å; F234-K236 PolarHBondContact O-N 3.34Å
237D90.3Very high85.9Confident36 Ų3643.4 Ų43.419%0.19325%0.251CS..Iπ-helixtrans-97.2-26.4-166.6-56.1-51.5000112.4V211 K215 C233 K241V211-D237 HydrophobicContact CG1-CB 3.97Å; K215-D237 IonicContact NZ-OD1 3.83Å; K215-D237 IonicContact NZ-OD2 3.44Å; K215-D237 PolarHBondContact NZ-OD2 3.2Å; C233-D237 PolarHBondContact N-OD2 3.05Å; C233-D237 WeakPolarHBondContact O-CB 3.48Å; C233-D237 PolarHBondContact O-N 3.29Å; D237-K241 WeakPolarHBondContact O-CD 3.45Å
238V91.5Very high87.5Confident0 Ų037.7 Ų37.70%022%0.221CC..Iπ-helixtrans-110.6-60.2-169.3-172.60000112.1A104 F207 L208 V211 F234 K241 L242A104-V238 HydrophobicContact CB-CG2 4.05Å; F207-V238 HydrophobicContact CD1-CG1 3.88Å; F207-V238 HydrophobicContact CE1-CG1 3.81Å; L208-V238 HydrophobicContact CD2-CG1 4.1Å; L208-V238 HydrophobicContact CD2-CG2 3.63Å; V211-V238 HydrophobicContact CG1-CG2 4.49Å; F234-V238 HydrophobicContact CD1-CB 3.99Å; F234-V238 HydrophobicContact CD1-CG1 4.05Å; F234-V238 HydrophobicContact CD1-CG2 4.02Å; F234-V238 HydrophobicContact CE1-CG1 4.47Å; F234-V238 PolarHBondContact O-N 3Å; V238-K241 PolarHBondContact O-N 3.34Å; V238-K241 VanDerWaalsContact O-N 3.1Å; V238-L242 WeakPolarHBondContact O-CB 3.25Å; V238-L242 PolarHBondContact O-N 3.46Å
239F91.5Very high88.3Confident0 Ų036.7 Ų36.70%021%0.212CC..Hα-helixtrans-60.2-40.8-170.4-66.5-22.6000114.8L151 R153 Y181 Y198 F234 K241 L242 A243 F248L151-F239 HydrophobicContact CD2-CD1 4.36Å; L151-F239 HydrophobicContact CD2-CE1 3.87Å; R153-F239 VanDerWaalsContact NH1-CD2 3.33Å; Y181-F239 HydrophobicContact CD1-CB 3.7Å; Y181-F239 HydrophobicContact CD2-CB 4.04Å; Y181-F239 HydrophobicContact CD2-CD2 4.31Å; Y181-F239 HydrophobicContact CE1-CB 4.04Å; Y181-F239 HydrophobicContact CE1-CD2 4.28Å; Y181-F239 HydrophobicContact CE2-CB 4.35Å; Y181-F239 AromaticContact CE2-CD2 3.88Å; Y181-F239 HydrophobicContact CE2-CD2 3.88Å; Y181-F239 HydrophobicContact CG-CB 3.7Å; Y181-F239 AromaticContact CZ-CD2 3.84Å; Y198-F239 HydrophobicContact CD1-CZ 4.06Å; Y198-F239 AromaticContact CE1-CE2 3.95Å; Y198-F239 HydrophobicContact CE1-CE2 3.95Å; Y198-F239 AromaticContact CE1-CZ 3.55Å; Y198-F239 HydrophobicContact CE1-CZ 3.55Å; Y198-F239 HydrophobicContact CE2-CZ 4.29Å; Y198-F239 AromaticContact CZ-CE2 3.96Å; Y198-F239 AromaticContact CZ-CZ 3.67Å; F234-F239 HydrophobicContact CB-CD1 4.39Å; F234-F239 HydrophobicContact CB-CD2 4.15Å; F234-F239 HydrophobicContact CB-CE1 3.91Å; F234-F239 HydrophobicContact CB-CE2 3.64Å; F234-F239 HydrophobicContact CB-CZ 3.51Å; F234-F239 HydrophobicContact CD1-CD1 4.43Å; F234-F239 AromaticContact CD1-CE1 3.77Å; F234-F239 HydrophobicContact CD1-CE1 3.77Å; F234-F239 HydrophobicContact CD1-CZ 4.07Å; F234-F239 HydrophobicContact CG-CE1 4.04Å; F234-F239 HydrophobicContact CG-CE2 4.46Å; F234-F239 AromaticContact CG-CZ 3.86Å; F234-F239 HydrophobicContact CG-CZ 3.86Å; F234-F239 WeakPolarHBondContact O-CB 3.43Å; F234-F239 WeakPolarHBondContact O-CD2 3.13Å; F234-F239 VanDerWaalsContact O-CG 3.27Å; F234-F239 WeakPolarHBondContact O-CG 3.16Å; F234-F239 PolarHBondContact O-N 2.79Å; F239-K241 VanDerWaalsContact C-N 3.3Å; F239-K241 PolarHBondContact O-N 2.74Å; F239-L242 PolarHBondContact O-N 3.38Å; F239-A243 WeakPolarHBondContact O-CB 3.23Å; F239-A243 PolarHBondContact O-N 3.18Å; F239-F248 HydrophobicContact CB-CE1 3.99Å; F239-F248 HydrophobicContact CB-CZ 4.46Å; F239-F248 HydrophobicContact CD1-CE1 4.04Å; F239-F248 AromaticContact CD1-CZ 3.78Å; F239-F248 HydrophobicContact CD1-CZ 3.78Å; F239-F248 HydrophobicContact CE1-CZ 4.15Å; F239-F248 HydrophobicContact CG-CE1 4.1Å; F239-F248 HydrophobicContact CG-CZ 4.07Å
240P89.1Confident88.9Confident54 Ų5434.8 Ų34.835%0.35120%0.203SC..Hα-helixtrans-58.2-42.7174-25.234.6000112.6Y181 E235 A244Y181-P240 HydrophobicContact CD1-CG 4.06Å; E235-P240 WeakPolarHBondContact O-CD 3.42Å; P240-A244 PolarHBondContact O-N 3.29Å
241K91.1Very high88.9Confident100 Ų10032.8 Ų32.844%0.43519%0.193SC..Hα-helixtrans-72.8-35.7178.9-61.1179.1-175.8172.50111.6F207 V211 D237 V238 F239 A244 S245F207-K241 HydrophobicContact CE1-CB 4.12Å; F207-K241 HydrophobicContact CZ-CB 3.59Å; V211-K241 HydrophobicContact CG2-CD 4.11Å; D237-K241 WeakPolarHBondContact O-CD 3.45Å; V238-K241 PolarHBondContact O-N 3.34Å; V238-K241 VanDerWaalsContact O-N 3.1Å; F239-K241 VanDerWaalsContact C-N 3.3Å; F239-K241 PolarHBondContact O-N 2.74Å; K241-A244 WeakPolarHBondContact O-CB 3.21Å; K241-A244 PolarHBondContact O-N 2.94Å; K241-S245 PolarHBondContact O-N 3.11Å
242L89.5Confident88.5Confident0 Ų035 Ų350%020%0.199CC..Hα-helixtrans-70.5-37.2-179.2-16765.7000111.2N150 L151 I204 F207 V238 F239 A244 S245 F248N150-L242 HydrophobicContact CB-CD1 4.37Å; L151-L242 HydrophobicContact CB-CD2 3.88Å; L151-L242 HydrophobicContact CD2-CD2 3.32Å; L151-L242 HydrophobicContact CG-CD2 4.21Å; I204-L242 HydrophobicContact CD1-CD1 4.4Å; I204-L242 HydrophobicContact CD1-CD2 4.06Å; F207-L242 HydrophobicContact CD1-CD1 4.16Å; F207-L242 HydrophobicContact CD2-CD1 3.84Å; F207-L242 HydrophobicContact CE1-CB 4.06Å; F207-L242 HydrophobicContact CE1-CD1 4.16Å; F207-L242 HydrophobicContact CE2-CD1 3.83Å; F207-L242 HydrophobicContact CG-CD1 4Å; F207-L242 HydrophobicContact CZ-CB 3.94Å; F207-L242 HydrophobicContact CZ-CD1 4Å; V238-L242 WeakPolarHBondContact O-CB 3.25Å; V238-L242 PolarHBondContact O-N 3.46Å; F239-L242 PolarHBondContact O-N 3.38Å; L242-A244 VanDerWaalsContact C-N 3.28Å; L242-A244 PolarHBondContact O-N 2.98Å; L242-S245 WeakPolarHBondContact O-CB 3.49Å; L242-S245 PolarHBondContact O-N 3.49Å; L242-S245 VanDerWaalsContact O-N 3.08Å; L242-S245 PolarHBondContact O-OG 3.45Å; L242-F248 HydrophobicContact CB-CD1 4.32Å; L242-F248 HydrophobicContact CD2-CB 4.43Å; L242-F248 HydrophobicContact CD2-CD1 4.4Å; L242-F248 HydrophobicContact CD2-CD2 4.14Å; L242-F248 HydrophobicContact CD2-CG 4.09Å; L242-F248 HydrophobicContact CG-CB 4.04Å; L242-F248 HydrophobicContact CG-CD1 4.39Å; L242-F248 HydrophobicContact CG-CG 4.14Å
243A89.4Confident88Confident5 Ų536 Ų364%0.04121%0.205CC..Hα-helixtrans-57.8-42.4170.100000111.3I178 F239 S245 G246 F248I178-A243 HydrophobicContact CG2-CB 4.2Å; F239-A243 WeakPolarHBondContact O-CB 3.23Å; F239-A243 PolarHBondContact O-N 3.18Å; A243-S245 PolarHBondContact O-N 3.05Å; A243-G246 PolarHBondContact O-N 2.91Å; A243-F248 HydrophobicContact CB-CD1 4.11Å
244A89.5Confident87.5Confident88 Ų8839.1 Ų39.173%0.72722%0.219SC*.THydrogen-bonded Turntrans-67.8-13.6177.100000114.5P240 K241 L242P240-A244 PolarHBondContact O-N 3.29Å; K241-A244 WeakPolarHBondContact O-CB 3.21Å; K241-A244 PolarHBondContact O-N 2.94Å; L242-A244 VanDerWaalsContact C-N 3.28Å; L242-A244 PolarHBondContact O-N 2.98Å
245S88.4Confident87.1Confident51 Ų5140 Ų4036%0.35723%0.227SC..THydrogen-bonded Turntrans-83.5-11.7-179.675.50000114.3K241 L242 A243 T247K241-S245 PolarHBondContact O-N 3.11Å; L242-S245 WeakPolarHBondContact O-CB 3.49Å; L242-S245 PolarHBondContact O-N 3.49Å; L242-S245 VanDerWaalsContact O-N 3.08Å; L242-S245 PolarHBondContact O-OG 3.45Å; A243-S245 PolarHBondContact O-N 3.05Å; S245-T247 PolarHBondContact O-N 3.07Å; S245-T247 PolarHBondContact OG-N 2.8Å; S245-T247 PolarHBondContact OG-OG1 3.13Å
246G85.3Confident87Confident25 Ų2540.4 Ų40.426%0.25823%0.227SC..THydrogen-bonded Turntrans69.916.4-174.900000114.8E177 A243 Y249E177-G246 WeakPolarHBondContact OE1-CA 3.45Å; A243-G246 PolarHBondContact O-N 2.91Å; G246-Y249 PolarHBondContact O-OH 3.43Å; G246-Y249 VanDerWaalsContact O-OH 3.13Å
247T84.9Confident87Confident32 Ų3233.1 Ų33.120%0.19620%0.196CC..  trans-119.511.9-177.665.40000113.8N150 L151 S245 Y249N150-T247 WeakPolarHBondContact ND2-CB 3.22Å; N150-T247 PolarHBondContact ND2-OG1 2.84Å; L151-T247 PolarHBondContact N-O 3.05Å; S245-T247 PolarHBondContact O-N 3.07Å; S245-T247 PolarHBondContact OG-N 2.8Å; S245-T247 PolarHBondContact OG-OG1 3.13Å; T247-Y249 VanDerWaalsContact C-CE2 3.41Å; T247-Y249 WeakPolarHBondContact O-CD2 3.31Å
248F86.8Confident86.9Confident0 Ų031.8 Ų31.80%019%0.189CC..EExtended strand (participates in β ladder)trans-106.6123.7-176.4-166.3-169.4000110.7L151 R153 I178 F239 L242 A243L151-F248 HydrophobicContact CB-CD2 4.06Å; L151-F248 HydrophobicContact CB-CE2 4.47Å; L151-F248 HydrophobicContact CD2-CD2 3.65Å; L151-F248 HydrophobicContact CD2-CE2 3.29Å; L151-F248 HydrophobicContact CD2-CZ 4Å; L151-F248 HydrophobicContact CG-CD2 3.96Å; L151-F248 HydrophobicContact CG-CE2 3.86Å; R153-F248 HydrophobicContact CB-CE2 3.77Å; R153-F248 HydrophobicContact CB-CZ 4.46Å; R153-F248 HydrophobicContact CG-CE2 4.45Å; I178-F248 HydrophobicContact CB-CB 4.27Å; I178-F248 HydrophobicContact CB-CD1 3.93Å; I178-F248 HydrophobicContact CB-CE1 4.48Å; I178-F248 HydrophobicContact CB-CG 4.05Å; I178-F248 HydrophobicContact CD1-CD1 4.03Å; I178-F248 HydrophobicContact CD1-CD2 3.76Å; I178-F248 HydrophobicContact CD1-CE1 3.96Å; I178-F248 HydrophobicContact CD1-CE2 3.65Å; I178-F248 HydrophobicContact CD1-CG 3.96Å; I178-F248 HydrophobicContact CD1-CZ 3.79Å; I178-F248 HydrophobicContact CG2-CD1 3.8Å; I178-F248 HydrophobicContact CG2-CE1 4.08Å; I178-F248 HydrophobicContact CG2-CG 4.44Å; I178-F248 PolarHBondContact N-O 3.24Å; F239-F248 HydrophobicContact CB-CE1 3.99Å; F239-F248 HydrophobicContact CB-CZ 4.46Å; F239-F248 HydrophobicContact CD1-CE1 4.04Å; F239-F248 AromaticContact CD1-CZ 3.78Å; F239-F248 HydrophobicContact CD1-CZ 3.78Å; F239-F248 HydrophobicContact CE1-CZ 4.15Å; F239-F248 HydrophobicContact CG-CE1 4.1Å; F239-F248 HydrophobicContact CG-CZ 4.07Å; L242-F248 HydrophobicContact CB-CD1 4.32Å; L242-F248 HydrophobicContact CD2-CB 4.43Å; L242-F248 HydrophobicContact CD2-CD1 4.4Å; L242-F248 HydrophobicContact CD2-CD2 4.14Å; L242-F248 HydrophobicContact CD2-CG 4.09Å; L242-F248 HydrophobicContact CG-CB 4.04Å; L242-F248 HydrophobicContact CG-CD1 4.39Å; L242-F248 HydrophobicContact CG-CG 4.14Å; A243-F248 HydrophobicContact CB-CD1 4.11Å
249Y86.1Confident86.8Confident13 Ų1333.9 Ų33.95%0.05120%0.199CC..EExtended strand (participates in β ladder)trans-129.2154.6-173.2-62.4-89.6000113.7F146 R149 L151 R153 A176 E177 G246 T247F146-Y249 HydrophobicContact CD1-CD1 4.48Å; F146-Y249 AromaticContact CD1-CD2 3.93Å; F146-Y249 HydrophobicContact CD1-CD2 3.93Å; F146-Y249 AromaticContact CD1-CG 3.92Å; F146-Y249 HydrophobicContact CD1-CG 3.92Å; F146-Y249 AromaticContact CE1-CD1 3.69Å; F146-Y249 HydrophobicContact CE1-CD1 3.69Å; F146-Y249 AromaticContact CE1-CD2 3.91Å; F146-Y249 HydrophobicContact CE1-CD2 3.91Å; F146-Y249 HydrophobicContact CE1-CE1 4.42Å; F146-Y249 AromaticContact CE1-CG 3.41Å; F146-Y249 HydrophobicContact CE1-CG 3.41Å; F146-Y249 VanDerWaalsContact CE1-CG 3.41Å; F146-Y249 HydrophobicContact CZ-CG 4.5Å; R149-Y249 HydrophobicContact CB-CD2 4.06Å; R149-Y249 HydrophobicContact CB-CE2 3.77Å; R149-Y249 HydrophobicContact CG-CD2 4.28Å; R149-Y249 HydrophobicContact CG-CE2 3.59Å; R149-Y249 VanDerWaalsContact CZ-OH 3.27Å; R149-Y249 PolarHBondContact NE-OH 3.47Å; L151-Y249 PolarHBondContact O-N 3.2Å; R153-Y249 PolarHBondContact N-O 2.69Å; A176-Y249 WeakPolarHBondContact O-CA 3.44Å; E177-Y249 HydrophobicContact CB-CD1 3.97Å; E177-Y249 HydrophobicContact CB-CE1 3.67Å; E177-Y249 HydrophobicContact CG-CD1 4.41Å; E177-Y249 HydrophobicContact CG-CE1 3.94Å; G246-Y249 PolarHBondContact O-OH 3.43Å; G246-Y249 VanDerWaalsContact O-OH 3.13Å; T247-Y249 VanDerWaalsContact C-CE2 3.41Å; T247-Y249 WeakPolarHBondContact O-CD2 3.31Å
250A85.1Confident86.7Confident7 Ų733.9 Ų33.96%0.05820%0.199CC..EExtended strand (participates in β ladder)trans-102136-178.500000112.4R153 L155 I171 A176 I178R153-A250 CarbonylContact O-C 3.51Å; L155-A250 HydrophobicContact CD1-CB 3.31Å; L155-A250 HydrophobicContact CG-CB 4.12Å; I171-A250 HydrophobicContact CD1-CB 3.94Å; I171-A250 HydrophobicContact CG1-CB 4.24Å; I171-A250 HydrophobicContact CG2-CB 4.08Å; A176-A250 HydrophobicContact CB-CB 4.41Å; A176-A250 WeakPolarHBondContact CB-O 3.33Å; A176-A250 WeakPolarHBondContact O-CB 3.46Å; A176-A250 PolarHBondContact O-N 2.85Å; I178-A250 HydrophobicContact CD1-CB 4.22Å; I178-A250 HydrophobicContact CG1-CB 4.02Å
251F83.6Confident86.6Confident35 Ų3534.9 Ų34.915%0.15420%0.198CC..EExtended strand (participates in β ladder)trans-110.4103163.3175.2-95.4000108.4P134 K137 M138 R153 A154 L155 T253P134-F251 HydrophobicContact CG-CE1 4.36Å; K137-F251 HydrophobicContact CB-CZ 4.18Å; K137-F251 WeakPolarHBondContact O-CE2 3.41Å; M138-F251 HydrophobicContact CG-CD1 3.54Å; M138-F251 HydrophobicContact CG-CD2 4.44Å; M138-F251 HydrophobicContact CG-CE1 3.57Å; M138-F251 HydrophobicContact CG-CE2 4.47Å; M138-F251 HydrophobicContact CG-CG 3.99Å; M138-F251 HydrophobicContact CG-CZ 4.06Å; M138-F251 HydrophobicContact SD-CD1 4.41Å; R153-F251 PolarHBondContact O-N 2.83Å; A154-F251 CarbonylContact C-O 3.57Å; A154-F251 WeakPolarHBondContact CA-O 3.42Å; A154-F251 HydrophobicContact CB-CD1 4.24Å; L155-F251 PolarHBondContact N-O 2.92Å; F251-T253 HydrophobicContact CD1-CG2 4.49Å; F251-T253 HydrophobicContact CE1-CG2 4.28Å
252K82.9Confident86.5Confident65 Ų6532.2 Ų32.228%0.28319%0.19SC..EExtended strand (participates in β ladder)trans-77.3131.8-179.4-68.3172.8176.3176.20110.2L155 E173 W192L155-K252 WeakPolarHBondContact O-CA 3.28Å; E173-K252 IonicContact OE1-NZ 2.78Å; E173-K252 PolarHBondContact OE1-NZ 2.98Å; E173-K252 IonicContact OE2-NZ 3.12Å; E173-K252 PolarHBondContact OE2-NZ 3.11Å; W192-K252 HydrophobicContact CD2-CD 4.42Å; W192-K252 HydrophobicContact CD2-CG 4.11Å; W192-K252 HydrophobicContact CE3-CB 4.39Å; W192-K252 HydrophobicContact CE3-CG 4.09Å; W192-K252 HydrophobicContact CH2-CB 3.67Å; W192-K252 HydrophobicContact CH2-CD 4.12Å; W192-K252 HydrophobicContact CH2-CG 3.89Å; W192-K252 HydrophobicContact CZ2-CB 4.13Å; W192-K252 HydrophobicContact CZ2-CD 3.65Å; W192-K252 HydrophobicContact CZ2-CG 3.88Å; W192-K252 HydrophobicContact CZ3-CB 3.8Å; W192-K252 HydrophobicContact CZ3-CG 3.98Å
253T82.2Confident86.6Confident21 Ų2132.8 Ų32.813%0.12919%0.194CC..EExtended strand (participates in β ladder)trans-144.3145.3174.2-172.50000112.6L155 F156 F251 A255L155-T253 PolarHBondContact O-N 3.1Å; F156-T253 HydrophobicContact CD1-CG2 3.71Å; F156-T253 HydrophobicContact CD2-CG2 3.96Å; F156-T253 HydrophobicContact CE1-CG2 3.46Å; F156-T253 VanDerWaalsContact CE1-CG2 3.46Å; F156-T253 HydrophobicContact CE2-CG2 3.76Å; F156-T253 HydrophobicContact CG-CG2 3.99Å; F156-T253 HydrophobicContact CZ-CG2 3.51Å; F251-T253 HydrophobicContact CD1-CG2 4.49Å; F251-T253 HydrophobicContact CE1-CG2 4.28Å; T253-A255 PolarHBondContact OG1-N 3.2Å
254D79.9Confident86.6Confident107 Ų10733 Ų3357%0.57220%0.196SC*.  trans-101.710.4174.8-64.2-40.2000112.3F378D254-F378 HydrophobicContact CB-CE1 4.43Å
255A84.4Confident86.6Confident20 Ų2029 Ų2917%0.16516%0.163CC..SBendtrans-60.7157.5176.500000111.6D132 P134 F156 T253 W257D132-A255 HydrophobicContact CB-CB 4.28Å; P134-A255 HydrophobicContact CG-CB 4.26Å; F156-A255 VanDerWaalsContact CD1-O 3.23Å; F156-A255 WeakPolarHBondContact CD1-O 3.22Å; F156-A255 HydrophobicContact CE1-CB 4.05Å; F156-A255 VanDerWaalsContact CE1-O 3.25Å; F156-A255 WeakPolarHBondContact CE1-O 3.42Å; T253-A255 PolarHBondContact OG1-N 3.2Å; A255-W257 PolarHBondContact O-N 3.15Å
256W87.6Confident86.9Confident37 Ų3726.6 Ų26.614%0.1415%0.146CC..  trans-63.1137177.4171.467.8000111C130 G131 D132 Y268 A269 H272 Y273 L276C130-W256 HydrophobicContact CB-CH2 3.81Å; C130-W256 HydrophobicContact CB-CZ2 4.2Å; C130-W256 HydrophobicContact CB-CZ3 4.5Å; G131-W256 WeakPolarHBondContact CA-O 3.42Å; D132-W256 PolarHBondContact N-O 3.47Å; D132-W256 VanDerWaalsContact N-O 3.09Å; W256-Y268 AromaticContact NE1-CE1 3.67Å; W256-A269 HydrophobicContact CH2-CB 4.39Å; W256-A269 HydrophobicContact CZ2-CB 4.36Å; W256-H272 AromaticContact CD1-CG 3.96Å; W256-H272 AromaticContact CD1-ND1 3.92Å; W256-H272 HydrophobicContact CD2-CB 3.75Å; W256-H272 AromaticContact CE2-CD2 3.94Å; W256-H272 AromaticContact CE2-CG 3.53Å; W256-H272 HydrophobicContact CE3-CB 4.04Å; W256-H272 HydrophobicContact CG-CB 4.49Å; W256-H272 HydrophobicContact CH2-CB 3.51Å; W256-H272 HydrophobicContact CZ2-CB 3.21Å; W256-H272 AromaticContact CZ2-CG 3.85Å; W256-H272 HydrophobicContact CZ3-CB 3.91Å; W256-H272 AromaticContact NE1-CD2 3.51Å; W256-H272 AromaticContact NE1-CG 3.42Å; W256-H272 AromaticContact NE1-ND1 3.84Å; W256-Y273 HydrophobicContact CH2-CD1 4.41Å; W256-Y273 AromaticContact CH2-CD2 3.69Å; W256-Y273 HydrophobicContact CH2-CD2 3.69Å; W256-Y273 HydrophobicContact CH2-CE1 4.38Å; W256-Y273 AromaticContact CH2-CE2 3.73Å; W256-Y273 HydrophobicContact CH2-CE2 3.73Å; W256-Y273 HydrophobicContact CH2-CG 4.09Å; W256-Y273 AromaticContact CZ3-CD1 3.88Å; W256-Y273 HydrophobicContact CZ3-CD1 3.88Å; W256-Y273 HydrophobicContact CZ3-CD2 4Å; W256-Y273 AromaticContact CZ3-CE1 3.77Å; W256-Y273 HydrophobicContact CZ3-CE1 3.77Å; W256-Y273 AromaticContact CZ3-CE2 3.97Å; W256-Y273 HydrophobicContact CZ3-CE2 3.97Å; W256-Y273 AromaticContact CZ3-CG 4Å; W256-Y273 HydrophobicContact CZ3-CG 4Å; W256-Y273 AromaticContact CZ3-CZ 3.84Å; W256-L276 HydrophobicContact CE3-CD1 3.7Å; W256-L276 HydrophobicContact CZ3-CD1 3.89Å
257W88.6Confident87.4Confident0 Ų025.9 Ų25.90%014%0.136CC..EExtended strand (participates in β ladder)trans-156.3142.4176.7173.794.2000110.6V129 C130 F156 Y166 I193 C195 A255 Q259 K380V129-W257 HydrophobicContact CB-CZ2 4.48Å; V129-W257 HydrophobicContact CG1-CZ2 3.84Å; C130-W257 CarbonylContact O-C 3.51Å; C130-W257 VanDerWaalsContact O-CA 3.25Å; C130-W257 WeakPolarHBondContact O-CA 3.45Å; F156-W257 HydrophobicContact CD1-CB 3.42Å; F156-W257 VanDerWaalsContact CD1-CB 3.42Å; F156-W257 HydrophobicContact CD1-CG 4.16Å; F156-W257 HydrophobicContact CD2-CB 4.38Å; F156-W257 HydrophobicContact CD2-CG 4.29Å; F156-W257 HydrophobicContact CE1-CB 3.45Å; F156-W257 VanDerWaalsContact CE1-CB 3.45Å; F156-W257 HydrophobicContact CE1-CG 4.25Å; F156-W257 HydrophobicContact CE2-CB 4.39Å; F156-W257 HydrophobicContact CE2-CG 4.36Å; F156-W257 HydrophobicContact CG-CB 3.89Å; F156-W257 HydrophobicContact CG-CG 4.15Å; F156-W257 HydrophobicContact CZ-CB 3.94Å; F156-W257 HydrophobicContact CZ-CG 4.33Å; Y166-W257 HydrophobicContact CD1-CH2 4.2Å; Y166-W257 AromaticContact CE1-CH2 3.65Å; Y166-W257 HydrophobicContact CE1-CH2 3.65Å; Y166-W257 HydrophobicContact CE1-CZ3 4.23Å; I193-W257 HydrophobicContact CD1-CE3 4.39Å; I193-W257 HydrophobicContact CD1-CH2 3.95Å; I193-W257 HydrophobicContact CD1-CZ3 3.64Å; C195-W257 HydrophobicContact CB-CD2 4.25Å; C195-W257 HydrophobicContact CB-CG 4.36Å; C195-W257 HydrophobicContact CB-CZ2 4.13Å; C195-W257 PolarHBondContact O-NE1 3.1Å; A255-W257 PolarHBondContact O-N 3.15Å; W257-Q259 HydrophobicContact CH2-CG 3.51Å; W257-Q259 HydrophobicContact CZ2-CG 3.68Å; W257-Q259 HydrophobicContact CZ3-CG 4.4Å; W257-K380 HydrophobicContact CE3-CD 4.48Å; W257-K380 PolarHBondContact O-NZ 3.24Å
258S88.1Confident87.8Confident8 Ų825 Ų256%0.05613%0.129CC..EExtended strand (participates in β ladder)trans-152.5157.3172.966.60000112.6V129 C130V129-S258 CarbonylContact C-O 3.51Å; V129-S258 WeakPolarHBondContact CA-O 3.4Å; C130-S258 PolarHBondContact N-O 3.09Å; C130-S258 PolarHBondContact O-N 2.81Å
259Q88.2Confident88.2Confident43 Ų4325 Ų2520%0.20113%0.129CC..EExtended strand (participates in β ladder)trans-87.1136.6169.8-69.3-170.8-42.700111.2V129 Y166 W257 K261 A265V129-Q259 HydrophobicContact CG1-CG 4.32Å; Y166-Q259 HydrophobicContact CE1-CG 4.08Å; Y166-Q259 VanDerWaalsContact CE1-OE1 3.25Å; W257-Q259 HydrophobicContact CH2-CG 3.51Å; W257-Q259 HydrophobicContact CZ2-CG 3.68Å; W257-Q259 HydrophobicContact CZ3-CG 4.4Å; Q259-K261 HydrophobicContact CB-CD 4.3Å; Q259-K261 HydrophobicContact CB-CG 4.25Å; Q259-K261 VanDerWaalsContact CD-CE 3.49Å; Q259-K261 PolarHBondContact O-N 3.34Å; Q259-K261 VanDerWaalsContact OE1-CE 3.28Å; Q259-A265 VanDerWaalsContact O-CB 3.28Å; Q259-A265 WeakPolarHBondContact O-CB 3.33Å
260L90.3Very high88.7Confident1 Ų124.4 Ų24.41%0.00513%0.127CC..  trans-96.778.4173.4-173.962000109.8F28 K37 I42 D128 A266F28-L260 HydrophobicContact CE2-CD1 3.87Å; F28-L260 HydrophobicContact CE2-CG 4Å; F28-L260 HydrophobicContact CZ-CD1 4.41Å; F28-L260 HydrophobicContact CZ-CG 4.48Å; K37-L260 WeakPolarHBondContact CE-O 3.3Å; K37-L260 PolarHBondContact NZ-O 3.3Å; I42-L260 HydrophobicContact CD1-CD1 4Å; I42-L260 HydrophobicContact CD1-CD2 4.18Å; I42-L260 HydrophobicContact CG1-CD2 4.05Å; D128-L260 PolarHBondContact O-N 3.07Å; L260-A266 VanDerWaalsContact CD1-CA 3.43Å; L260-A266 HydrophobicContact CD1-CB 3.74Å
261K87.2Confident89.3Confident74 Ų7427 Ų2732%0.32214%0.135SC..  trans-110.4-20.6-177.1-76.2178.7177169.10115.1R27 Q259R27-K261 CarbonylContact C-O 3.59Å; Q259-K261 HydrophobicContact CB-CD 4.3Å; Q259-K261 HydrophobicContact CB-CG 4.25Å; Q259-K261 VanDerWaalsContact CD-CE 3.49Å; Q259-K261 PolarHBondContact O-N 3.34Å; Q259-K261 VanDerWaalsContact OE1-CE 3.28Å
262T88.8Confident89.8Confident45 Ų4527.6 Ų27.628%0.27614%0.138SC..SBendtrans-135.8166.4-175.963.20000110R27 F28 S264 A265 A266R27-T262 HydrophobicContact CB-CG2 4.32Å; F28-T262 WeakPolarHBondContact CE2-O 3.34Å; T262-S264 VanDerWaalsContact C-N 3.3Å; T262-S264 PolarHBondContact O-N 2.72Å; T262-A265 WeakPolarHBondContact O-CB 3.25Å; T262-A265 PolarHBondContact O-N 2.69Å; T262-A265 PolarHBondContact OG1-N 2.9Å; T262-A266 PolarHBondContact O-N 3.44Å; T262-A266 VanDerWaalsContact O-N 3.13Å
263A90.4Very high90.5Very high11 Ų1124.9 Ų24.99%0.09113%0.126CC..Hα-helixtrans-63.1-34.917300000112.3L31 A265 A266 I267 V352 V397 V399L31-A263 HydrophobicContact CD1-CB 3.76Å; A263-A265 VanDerWaalsContact C-N 3.3Å; A263-A265 PolarHBondContact O-N 2.83Å; A263-A266 WeakPolarHBondContact O-CA 3.33Å; A263-A266 VanDerWaalsContact O-CB 3.25Å; A263-A266 WeakPolarHBondContact O-CB 3.32Å; A263-A266 PolarHBondContact O-N 3.04Å; A263-I267 PolarHBondContact O-N 2.94Å; A263-I267 VanDerWaalsContact O-N 3.11Å; A263-V352 HydrophobicContact CB-CG2 4.33Å; A263-V397 HydrophobicContact CB-CG1 3.5Å; A263-V399 HydrophobicContact CB-CG2 3.55Å
264S89.8Confident91.3Very high10 Ų1023.9 Ų23.97%0.0712%0.12CC..Hα-helixtrans-61-41.8174-56.80000111.4T262 A266 I267 Y268 D370T262-S264 VanDerWaalsContact C-N 3.3Å; T262-S264 PolarHBondContact O-N 2.72Å; S264-A266 PolarHBondContact O-N 3.39Å; S264-I267 PolarHBondContact O-N 3.33Å; S264-Y268 PolarHBondContact O-N 2.97Å; S264-D370 VanDerWaalsContact CB-OD2 3.26Å; S264-D370 WeakPolarHBondContact CB-OD2 3.42Å; S264-D370 PolarHBondContact OG-OD2 2.7Å
265A90.5Very high92.1Very high4 Ų424 Ų243%0.03312%0.117CC..Hα-helixtrans-64.7-28.817500000112.6Q259 T262 A263 A269 L381Q259-A265 VanDerWaalsContact O-CB 3.28Å; Q259-A265 WeakPolarHBondContact O-CB 3.33Å; T262-A265 WeakPolarHBondContact O-CB 3.25Å; T262-A265 PolarHBondContact O-N 2.69Å; T262-A265 PolarHBondContact OG1-N 2.9Å; A263-A265 VanDerWaalsContact C-N 3.3Å; A263-A265 PolarHBondContact O-N 2.83Å; A265-A269 VanDerWaalsContact O-CB 3.28Å; A265-A269 WeakPolarHBondContact O-CB 3.5Å; A265-A269 PolarHBondContact O-N 2.86Å; A265-L381 HydrophobicContact CB-CD2 3.82Å
266A94.6Very high92.6Very high0 Ų024.9 Ų24.90%012%0.119CC..Hα-helixtrans-66.9-46.3173.300000111.7F28 F40 I42 L260 T262 A263 S264 Y268 A269 N270 I335F28-A266 HydrophobicContact CE2-CB 4.11Å; F28-A266 HydrophobicContact CZ-CB 4.23Å; F40-A266 HydrophobicContact CE1-CB 3.93Å; I42-A266 HydrophobicContact CD1-CB 3.74Å; L260-A266 VanDerWaalsContact CD1-CA 3.43Å; L260-A266 HydrophobicContact CD1-CB 3.74Å; T262-A266 PolarHBondContact O-N 3.44Å; T262-A266 VanDerWaalsContact O-N 3.13Å; A263-A266 WeakPolarHBondContact O-CA 3.33Å; A263-A266 VanDerWaalsContact O-CB 3.25Å; A263-A266 WeakPolarHBondContact O-CB 3.32Å; A263-A266 PolarHBondContact O-N 3.04Å; S264-A266 PolarHBondContact O-N 3.39Å; A266-Y268 VanDerWaalsContact C-N 3.32Å; A266-Y268 PolarHBondContact O-N 2.84Å; A266-A269 PolarHBondContact O-N 3.44Å; A266-N270 VanDerWaalsContact O-CB 3.24Å; A266-N270 WeakPolarHBondContact O-CB 3.19Å; A266-N270 PolarHBondContact O-N 2.71Å; A266-I335 HydrophobicContact CB-CD1 3.97Å
267I95Very high93Very high10 Ų1023.2 Ų23.25%0.05111%0.112CC..Hα-helixtrans-59.3-45.5174.7-60.6-55.4000110.7A263 S264 N270 R271 E333 I335 S351 V352 V397A263-I267 PolarHBondContact O-N 2.94Å; A263-I267 VanDerWaalsContact O-N 3.11Å; S264-I267 PolarHBondContact O-N 3.33Å; I267-N270 WeakPolarHBondContact O-CB 3.34Å; I267-N270 PolarHBondContact O-N 3.36Å; I267-R271 PolarHBondContact O-N 3.3Å; I267-E333 HydrophobicContact CG2-CB 4.38Å; I267-I335 HydrophobicContact CD1-CB 4.43Å; I267-I335 HydrophobicContact CD1-CD1 4.03Å; I267-I335 HydrophobicContact CD1-CG1 3.87Å; I267-S351 WeakPolarHBondContact CD1-O 3.34Å; I267-V352 HydrophobicContact CD1-CG2 3.68Å; I267-V352 HydrophobicContact CG1-CG2 4.19Å; I267-V397 HydrophobicContact CG1-CG2 3.75Å
268Y93.4Very high93.4Very high15 Ų1529.8 Ų29.86%0.05914%0.137CC..Hα-helixtrans-60.1-48.1176.5179.4-102.5000111.9W256 S264 A266 N270 R271 H272 P372W256-Y268 AromaticContact NE1-CE1 3.67Å; S264-Y268 PolarHBondContact O-N 2.97Å; A266-Y268 VanDerWaalsContact C-N 3.32Å; A266-Y268 PolarHBondContact O-N 2.84Å; Y268-N270 VanDerWaalsContact C-N 3.32Å; Y268-N270 PolarHBondContact O-N 2.89Å; Y268-R271 PolarHBondContact O-N 2.85Å; Y268-H272 AromaticContact CD2-CD2 3.88Å; Y268-H272 AromaticContact CD2-NE2 3.89Å; Y268-H272 AromaticContact CE1-CD2 3.68Å; Y268-H272 AromaticContact CE1-NE2 3.93Å; Y268-H272 AromaticContact CE2-CD2 3.44Å; Y268-H272 VanDerWaalsContact CE2-CD2 3.44Å; Y268-H272 WeakPolarHBondContact CE2-CD2 3.17Å; Y268-H272 AromaticContact CE2-NE2 3.06Å; Y268-H272 WeakPolarHBondContact CE2-NE2 2.96Å; Y268-H272 AromaticContact CZ-CD2 3.33Å; Y268-H272 AromaticContact CZ-NE2 3.09Å; Y268-H272 PolarHBondContact O-CD2 3.03Å; Y268-H272 VanDerWaalsContact O-CD2 3.24Å; Y268-H272 PolarHBondContact O-N 3.15Å; Y268-H272 PolarHBondContact OH-NE2 3Å; Y268-P372 HydrophobicContact CE2-CG 3.72Å
269A94.9Very high93.6Very high0 Ų038.7 Ų38.70%018%0.175CC..Hα-helixtrans-63.9-37.4177.400000112.6I42 C130 W256 A265 A266 H272 Y273I42-A269 HydrophobicContact CG2-CB 3.85Å; C130-A269 HydrophobicContact CB-CB 4.14Å; W256-A269 HydrophobicContact CH2-CB 4.39Å; W256-A269 HydrophobicContact CZ2-CB 4.36Å; A265-A269 VanDerWaalsContact O-CB 3.28Å; A265-A269 WeakPolarHBondContact O-CB 3.5Å; A265-A269 PolarHBondContact O-N 2.86Å; A266-A269 PolarHBondContact O-N 3.44Å; A269-H272 PolarHBondContact O-N 3.34Å; A269-Y273 WeakPolarHBondContact O-CD2 3.5Å; A269-Y273 PolarHBondContact O-N 2.77Å
270N97.6Very high93.9Very high0 Ų039.1 Ų39.10%018%0.183CC..Hα-helixtrans-59.5-51.3177.3-175.573.5000111.2I42 G43 A266 I267 Y268 H272 Y273 L274 N316 S318 I335I42-N270 HydrophobicContact CG2-CB 4.22Å; G43-N270 WeakPolarHBondContact CA-OD1 3.39Å; G43-N270 PolarHBondContact N-OD1 3.39Å; A266-N270 VanDerWaalsContact O-CB 3.24Å; A266-N270 WeakPolarHBondContact O-CB 3.19Å; A266-N270 PolarHBondContact O-N 2.71Å; I267-N270 WeakPolarHBondContact O-CB 3.34Å; I267-N270 PolarHBondContact O-N 3.36Å; Y268-N270 VanDerWaalsContact C-N 3.32Å; Y268-N270 PolarHBondContact O-N 2.89Å; N270-H272 VanDerWaalsContact C-N 3.28Å; N270-H272 PolarHBondContact O-N 2.92Å; N270-Y273 PolarHBondContact O-N 3.29Å; N270-L274 WeakPolarHBondContact ND2-CD1 3.34Å; N270-L274 WeakPolarHBondContact O-CB 3.3Å; N270-L274 WeakPolarHBondContact O-CG 3.46Å; N270-L274 PolarHBondContact O-N 3.09Å; N270-N316 PolarHBondContact ND2-O 3.17Å; N270-N316 VanDerWaalsContact ND2-O 3.13Å; N270-S318 VanDerWaalsContact OD1-CB 3.31Å; N270-S318 WeakPolarHBondContact OD1-CB 3.34Å; N270-S318 PolarHBondContact OD1-OG 2.94Å; N270-I335 HydrophobicContact CB-CD1 3.85Å; N270-I335 HydrophobicContact CB-CG1 3.97Å
271R96.7Very high94.1Very high60 Ų6041 Ų4123%0.22619%0.19CC..Hα-helixtrans-51-48.8174.5175.6-178.2-48.8146.17.1111.9I267 Y268 H275 N316 E333I267-R271 PolarHBondContact O-N 3.3Å; Y268-R271 PolarHBondContact O-N 2.85Å; R271-H275 WeakPolarHBondContact O-CB 3.27Å; R271-H275 PolarHBondContact O-N 3.17Å; R271-N316 HydrophobicContact CB-CB 4.02Å; R271-N316 HydrophobicContact CG-CB 4.15Å; R271-N316 PolarHBondContact NE-ND2 2.98Å; R271-E333 IonicContact CZ-OE1 3.34Å; R271-E333 IonicContact CZ-OE2 3.31Å; R271-E333 VanDerWaalsContact CZ-OE2 3.31Å; R271-E333 IonicContact NE-OE1 3.07Å; R271-E333 PolarHBondContact NE-OE1 3.07Å; R271-E333 IonicContact NE-OE2 3.1Å; R271-E333 PolarHBondContact NE-OE2 2.83Å; R271-E333 VanDerWaalsContact NE-OE2 3.1Å; R271-E333 IonicContact NH2-OE1 3.04Å; R271-E333 PolarHBondContact NH2-OE1 3.24Å; R271-E333 IonicContact NH2-OE2 2.7Å; R271-E333 PolarHBondContact NH2-OE2 3.01Å
272H95.3Very high94.6Very high49 Ų4941.1 Ų41.123%0.22720%0.198CC..Hα-helixtrans-72.7-38.9-174.3-81.6-72.6000113.7W256 Y268 A269 N270 H275 L276W256-H272 AromaticContact CD1-CG 3.96Å; W256-H272 AromaticContact CD1-ND1 3.92Å; W256-H272 HydrophobicContact CD2-CB 3.75Å; W256-H272 AromaticContact CE2-CD2 3.94Å; W256-H272 AromaticContact CE2-CG 3.53Å; W256-H272 HydrophobicContact CE3-CB 4.04Å; W256-H272 HydrophobicContact CG-CB 4.49Å; W256-H272 HydrophobicContact CH2-CB 3.51Å; W256-H272 HydrophobicContact CZ2-CB 3.21Å; W256-H272 AromaticContact CZ2-CG 3.85Å; W256-H272 HydrophobicContact CZ3-CB 3.91Å; W256-H272 AromaticContact NE1-CD2 3.51Å; W256-H272 AromaticContact NE1-CG 3.42Å; W256-H272 AromaticContact NE1-ND1 3.84Å; Y268-H272 AromaticContact CD2-CD2 3.88Å; Y268-H272 AromaticContact CD2-NE2 3.89Å; Y268-H272 AromaticContact CE1-CD2 3.68Å; Y268-H272 AromaticContact CE1-NE2 3.93Å; Y268-H272 AromaticContact CE2-CD2 3.44Å; Y268-H272 VanDerWaalsContact CE2-CD2 3.44Å; Y268-H272 WeakPolarHBondContact CE2-CD2 3.17Å; Y268-H272 AromaticContact CE2-NE2 3.06Å; Y268-H272 WeakPolarHBondContact CE2-NE2 2.96Å; Y268-H272 AromaticContact CZ-CD2 3.33Å; Y268-H272 AromaticContact CZ-NE2 3.09Å; Y268-H272 PolarHBondContact O-CD2 3.03Å; Y268-H272 VanDerWaalsContact O-CD2 3.24Å; Y268-H272 PolarHBondContact O-N 3.15Å; Y268-H272 PolarHBondContact OH-NE2 3Å; A269-H272 PolarHBondContact O-N 3.34Å; N270-H272 VanDerWaalsContact C-N 3.28Å; N270-H272 PolarHBondContact O-N 2.92Å; H272-H275 PolarHBondContact O-N 2.72Å; H272-L276 WeakPolarHBondContact O-CG 3.5Å; H272-L276 PolarHBondContact O-N 3.15Å
273Y97.6Very high95Very high8 Ų845.4 Ų45.43%0.03122%0.215CC..Hα-helixtrans-66.8-41.3173.2-81-62.7000112.2I42 H50 C130 G131 W256 A269 N270 H275 L276 Y277I42-Y273 HydrophobicContact CB-CD2 4.44Å; I42-Y273 HydrophobicContact CG2-CD2 3.54Å; I42-Y273 HydrophobicContact CG2-CE2 4.12Å; H50-Y273 HydrophobicContact CB-CE1 3.69Å; H50-Y273 HydrophobicContact CB-CE2 4.39Å; H50-Y273 WeakPolarHBondContact CB-OH 3.34Å; H50-Y273 AromaticContact CD2-CE2 3.84Å; H50-Y273 AromaticContact CD2-CZ 3.88Å; H50-Y273 AromaticContact CE1-CD1 3.58Å; H50-Y273 AromaticContact CE1-CE1 4Å; H50-Y273 AromaticContact CE1-CG 3.61Å; H50-Y273 AromaticContact CG-CD1 3.9Å; H50-Y273 AromaticContact CG-CE1 3.51Å; H50-Y273 AromaticContact CG-CE2 3.94Å; H50-Y273 AromaticContact CG-CZ 3.5Å; H50-Y273 VanDerWaalsContact CG-CZ 3.5Å; H50-Y273 AromaticContact ND1-CD1 3.34Å; H50-Y273 VanDerWaalsContact ND1-CD1 3.34Å; H50-Y273 WeakPolarHBondContact ND1-CD1 3.2Å; H50-Y273 AromaticContact ND1-CE1 3.38Å; H50-Y273 WeakPolarHBondContact ND1-CE1 3.37Å; H50-Y273 AromaticContact ND1-CG 3.85Å; H50-Y273 AromaticContact ND1-CZ 3.86Å; H50-Y273 AromaticContact NE2-CD2 3.95Å; H50-Y273 AromaticContact NE2-CG 3.98Å; C130-Y273 WeakPolarHBondContact CA-OH 3.46Å; C130-Y273 HydrophobicContact CB-CE2 3.64Å; G131-Y273 PolarHBondContact N-OH 3.34Å; G131-Y273 PolarHBondContact O-OH 2.8Å; W256-Y273 HydrophobicContact CH2-CD1 4.41Å; W256-Y273 AromaticContact CH2-CD2 3.69Å; W256-Y273 HydrophobicContact CH2-CD2 3.69Å; W256-Y273 HydrophobicContact CH2-CE1 4.38Å; W256-Y273 AromaticContact CH2-CE2 3.73Å; W256-Y273 HydrophobicContact CH2-CE2 3.73Å; W256-Y273 HydrophobicContact CH2-CG 4.09Å; W256-Y273 AromaticContact CZ3-CD1 3.88Å; W256-Y273 HydrophobicContact CZ3-CD1 3.88Å; W256-Y273 HydrophobicContact CZ3-CD2 4Å; W256-Y273 AromaticContact CZ3-CE1 3.77Å; W256-Y273 HydrophobicContact CZ3-CE1 3.77Å; W256-Y273 AromaticContact CZ3-CE2 3.97Å; W256-Y273 HydrophobicContact CZ3-CE2 3.97Å; W256-Y273 AromaticContact CZ3-CG 4Å; W256-Y273 HydrophobicContact CZ3-CG 4Å; W256-Y273 AromaticContact CZ3-CZ 3.84Å; A269-Y273 WeakPolarHBondContact O-CD2 3.5Å; A269-Y273 PolarHBondContact O-N 2.77Å; N270-Y273 PolarHBondContact O-N 3.29Å; Y273-H275 VanDerWaalsContact C-N 3.27Å; Y273-H275 PolarHBondContact O-N 3.29Å; Y273-L276 HydrophobicContact CD1-CD1 4.15Å; Y273-L276 WeakPolarHBondContact O-CB 3.46Å; Y273-L276 PolarHBondContact O-N 2.8Å; Y273-L276 VanDerWaalsContact O-N 3.11Å; Y273-Y277 VanDerWaalsContact O-CD1 3.23Å; Y273-Y277 WeakPolarHBondContact O-CD1 3.32Å; Y273-Y277 VanDerWaalsContact O-CG 3.31Å; Y273-Y277 PolarHBondContact O-N 2.81Å
274L98Very high95.3Very high0 Ų046.8 Ų46.80%022%0.218CC..Hα-helixtrans-58.3-41.9173.9-71.6174.8000111.4N270 Y277 L285 D298 F300 V317N270-L274 WeakPolarHBondContact ND2-CD1 3.34Å; N270-L274 WeakPolarHBondContact O-CB 3.3Å; N270-L274 WeakPolarHBondContact O-CG 3.46Å; N270-L274 PolarHBondContact O-N 3.09Å; L274-Y277 HydrophobicContact CD2-CD2 4.1Å; L274-Y277 HydrophobicContact CD2-CE2 4.13Å; L274-Y277 WeakPolarHBondContact O-CB 3.46Å; L274-Y277 PolarHBondContact O-N 3.44Å; L274-L285 HydrophobicContact CD2-CD2 4.08Å; L274-D298 HydrophobicContact CB-CB 3.79Å; L274-F300 HydrophobicContact CD2-CB 3.55Å; L274-V317 WeakPolarHBondContact CD1-O 3.36Å
275H96.6Very high95.7Very high108 Ų10847.5 Ų47.550%0.522%0.221SC..Hα-helixtrans-63.2-43.5173.3-177.366.9000112.7R271 H272 Y273 Y277 R278 D298R271-H275 WeakPolarHBondContact O-CB 3.27Å; R271-H275 PolarHBondContact O-N 3.17Å; H272-H275 PolarHBondContact O-N 2.72Å; Y273-H275 VanDerWaalsContact C-N 3.27Å; Y273-H275 PolarHBondContact O-N 3.29Å; H275-Y277 PolarHBondContact O-N 3.28Å; H275-R278 WeakPolarHBondContact O-CB 3.44Å; H275-R278 PolarHBondContact O-N 3.07Å; H275-D298 WeakPolarHBondContact CA-OD2 3.1Å; H275-D298 IonicContact ND1-OD2 3.71Å
276L94.7Very high96.1Very high39 Ų3948.5 Ų48.520%0.20423%0.23CC..Hα-helixtrans-60.8-34.6177.2-75.7174.4000112.2D132 W256 H272 Y273 R278 K279 S280D132-L276 HydrophobicContact CB-CD1 4.47Å; W256-L276 HydrophobicContact CE3-CD1 3.7Å; W256-L276 HydrophobicContact CZ3-CD1 3.89Å; H272-L276 WeakPolarHBondContact O-CG 3.5Å; H272-L276 PolarHBondContact O-N 3.15Å; Y273-L276 HydrophobicContact CD1-CD1 4.15Å; Y273-L276 WeakPolarHBondContact O-CB 3.46Å; Y273-L276 PolarHBondContact O-N 2.8Å; Y273-L276 VanDerWaalsContact O-N 3.11Å; L276-R278 PolarHBondContact O-N 3.02Å; L276-K279 PolarHBondContact O-N 3.3Å; L276-S280 PolarHBondContact O-N 3.33Å; L276-S280 PolarHBondContact O-OG 3.4Å
277Y97.4Very high96Very high2 Ų254.4 Ų54.41%0.00827%0.265CS..Hα-helixtrans-57-31.1177.7-66.7-13.1000113G43 L45 H50 Y273 L274 H275 K279 S280 Y281 P282 R284 L285G43-Y277 WeakPolarHBondContact O-CE2 3.03Å; G43-Y277 PolarHBondContact O-OH 3.43Å; L45-Y277 WeakPolarHBondContact CD1-OH 3.33Å; H50-Y277 AromaticContact CE1-CE1 3.95Å; H50-Y277 AromaticContact CE1-CZ 3.91Å; H50-Y277 PolarHBondContact CE1-OH 3.04Å; Y273-Y277 VanDerWaalsContact O-CD1 3.23Å; Y273-Y277 WeakPolarHBondContact O-CD1 3.32Å; Y273-Y277 VanDerWaalsContact O-CG 3.31Å; Y273-Y277 PolarHBondContact O-N 2.81Å; L274-Y277 HydrophobicContact CD2-CD2 4.1Å; L274-Y277 HydrophobicContact CD2-CE2 4.13Å; L274-Y277 WeakPolarHBondContact O-CB 3.46Å; L274-Y277 PolarHBondContact O-N 3.44Å; H275-Y277 PolarHBondContact O-N 3.28Å; Y277-K279 PolarHBondContact O-N 2.98Å; Y277-S280 PolarHBondContact O-N 2.9Å; Y277-Y281 HydrophobicContact CD1-CD2 4.06Å; Y277-Y281 HydrophobicContact CE1-CD2 4.33Å; Y277-Y281 CarbonylContact O-C 3.59Å; Y277-Y281 WeakPolarHBondContact O-CA 3.46Å; Y277-Y281 PolarHBondContact O-N 3.11Å; Y277-P282 WeakPolarHBondContact O-CA 3.38Å; Y277-R284 HydrophobicContact CD2-CB 3.88Å; Y277-R284 HydrophobicContact CE2-CB 4.13Å; Y277-R284 HydrophobicContact CG-CB 4.41Å; Y277-L285 HydrophobicContact CD2-CD2 4.03Å
278R95.4Very high95.9Very high139 Ų13957.2 Ų57.253%0.52529%0.286SS..Hα-helixtrans-51.6-33.5174.2-70.7-171.2175.8-92.5-16.1113.1H275 L276 L285 D298H275-R278 WeakPolarHBondContact O-CB 3.44Å; H275-R278 PolarHBondContact O-N 3.07Å; L276-R278 PolarHBondContact O-N 3.02Å; R278-L285 HydrophobicContact CB-CD1 4.4Å; R278-L285 HydrophobicContact CG-CD1 3.62Å; R278-D298 IonicContact CZ-OD1 2.98Å; R278-D298 IonicContact NE-OD1 2.66Å; R278-D298 PolarHBondContact NE-OD1 2.74Å; R278-D298 IonicContact NE-OD2 3.28Å; R278-D298 PolarHBondContact NE-OD2 2.98Å; R278-D298 IonicContact NH2-OD1 2.66Å; R278-D298 PolarHBondContact NH2-OD1 2.84Å; R278-D298 IonicContact NH2-OD2 3.93Å
279K93.6Very high95.6Very high194 Ų19458.6 Ų58.684%0.84331%0.305SS*.Hα-helixtrans-96.8-40.4-178.6-174.8-179.5177.6-1760112.4L276 Y277L276-K279 PolarHBondContact O-N 3.3Å; Y277-K279 PolarHBondContact O-N 2.98Å
280S93.1Very high95.2Very high52 Ų5266.7 Ų66.736%0.36435%0.348SS..Hα-helixtrans-95.8-36.8-170.253.10000114.3L276 Y277L276-S280 PolarHBondContact O-N 3.33Å; L276-S280 PolarHBondContact O-OG 3.4Å; Y277-S280 PolarHBondContact O-N 2.9Å
281Y95.9Very high94.8Very high40 Ų4073.7 Ų73.716%0.15739%0.385CS..  trans-149.261-172.1-57.1-71.1000110.8E53 K57 Y277 E283 R284E53-Y281 WeakPolarHBondContact OE2-CE2 3.37Å; E53-Y281 PolarHBondContact OE2-OH 3.02Å; K57-Y281 VanDerWaalsContact CE-OH 3.32Å; K57-Y281 WeakPolarHBondContact CE-OH 3.34Å; K57-Y281 PolarHBondContact NZ-OH 3.29Å; Y277-Y281 HydrophobicContact CD1-CD2 4.06Å; Y277-Y281 HydrophobicContact CE1-CD2 4.33Å; Y277-Y281 CarbonylContact O-C 3.59Å; Y277-Y281 WeakPolarHBondContact O-CA 3.46Å; Y277-Y281 PolarHBondContact O-N 3.11Å; Y281-E283 WeakPolarHBondContact CA-OE2 3.25Å; Y281-E283 WeakPolarHBondContact CB-OE1 3.27Å; Y281-E283 PolarHBondContact O-N 2.86Å; Y281-E283 VanDerWaalsContact O-N 3.11Å; Y281-R284 VanDerWaalsContact CD2-NH1 3.28Å; Y281-R284 WeakPolarHBondContact O-CB 3.2Å; Y281-R284 PolarHBondContact O-N 3.26Å
282P97.1Very high94.7Very high77 Ų7772 Ų7250%0.539%0.387SS..G310 helixtrans-59.9-24.8-174.524.7-34.6000112.5Y277 R284 L285Y277-P282 WeakPolarHBondContact O-CA 3.38Å; P282-R284 PolarHBondContact O-N 3.45Å; P282-L285 PolarHBondContact O-N 3.35Å; P282-L285 VanDerWaalsContact O-N 3.16Å
283E97.1Very high94.8Very high135 Ų13570.7 Ų70.763%0.63138%0.383SS*.G310 helixtrans-65.2-18.3175.576.3-69.5166.100114.2Y281 L285Y281-E283 WeakPolarHBondContact CA-OE2 3.25Å; Y281-E283 WeakPolarHBondContact CB-OE1 3.27Å; Y281-E283 PolarHBondContact O-N 2.86Å; Y281-E283 VanDerWaalsContact O-N 3.11Å; E283-L285 VanDerWaalsContact C-N 3.31Å
284R97.4Very high94.8Very high40 Ų4073.9 Ų73.915%0.15140%0.403CS..G310 helixtrans-79.8-15.4175.4-64.8178.7-174.7178.5-8.5112.8E53 Y277 Y281 P282 F300E53-R284 VanDerWaalsContact CD-NH2 3.31Å; E53-R284 IonicContact OE1-CZ 3.34Å; E53-R284 IonicContact OE1-NH1 2.85Å; E53-R284 PolarHBondContact OE1-NH1 3.03Å; E53-R284 VanDerWaalsContact OE1-NH1 3.17Å; E53-R284 IonicContact OE1-NH2 2.93Å; E53-R284 PolarHBondContact OE1-NH2 3.15Å; E53-R284 IonicContact OE2-CZ 2.71Å; E53-R284 IonicContact OE2-NH1 3.37Å; E53-R284 PolarHBondContact OE2-NH1 3.35Å; E53-R284 IonicContact OE2-NH2 2.69Å; E53-R284 PolarHBondContact OE2-NH2 3.24Å; Y277-R284 HydrophobicContact CD2-CB 3.88Å; Y277-R284 HydrophobicContact CE2-CB 4.13Å; Y277-R284 HydrophobicContact CG-CB 4.41Å; Y281-R284 VanDerWaalsContact CD2-NH1 3.28Å; Y281-R284 WeakPolarHBondContact O-CB 3.2Å; Y281-R284 PolarHBondContact O-N 3.26Å; P282-R284 PolarHBondContact O-N 3.45Å; R284-F300 HydrophobicContact CB-CD2 4.33Å; R284-F300 VanDerWaalsContact O-CD2 3.31Å; R284-F300 WeakPolarHBondContact O-CD2 3.25Å
285L98.3Very high94.8Very high26 Ų2674.9 Ų74.914%0.13641%0.408CS..SBendtrans-88.5130.8-179-64.2176.8000110.2L274 Y277 R278 P282 E283 D298 V299L274-L285 HydrophobicContact CD2-CD2 4.08Å; Y277-L285 HydrophobicContact CD2-CD2 4.03Å; R278-L285 HydrophobicContact CB-CD1 4.4Å; R278-L285 HydrophobicContact CG-CD1 3.62Å; P282-L285 PolarHBondContact O-N 3.35Å; P282-L285 VanDerWaalsContact O-N 3.16Å; E283-L285 VanDerWaalsContact C-N 3.31Å; L285-D298 HydrophobicContact CD2-CB 4.2Å; L285-V299 CarbonylContact C-O 3.54Å; L285-V299 WeakPolarHBondContact CA-O 3.38Å
286A97.4Very high94.9Very high25 Ų2573.6 Ų73.621%0.20740%0.404CS..  trans-68147.6173.300000110.7I295 V299 I301A286-I295 HydrophobicContact CB-CD1 4.37Å; A286-I295 HydrophobicContact CB-CG1 4.31Å; A286-I295 HydrophobicContact CB-CG2 4.47Å; A286-V299 HydrophobicContact CB-CB 4.47Å; A286-V299 HydrophobicContact CB-CG1 4.31Å; A286-V299 PolarHBondContact N-O 3.39Å; A286-I301 HydrophobicContact CB-CB 4.35Å; A286-I301 HydrophobicContact CB-CD1 3.72Å; A286-I301 HydrophobicContact CB-CG1 4.19Å
287V94.1Very high95Very high123 Ų12373.7 Ų73.775%0.74541%0.414SS*.  trans-124.9146.4175.2-65.40000109G289V287-G289 PolarHBondContact O-N 2.86Å
288S91.5Very high95Very high70 Ų7074.1 Ų74.149%0.4942%0.417SS..  trans-64.1131.9172-57.20000109.6I295S288-I295 WeakPolarHBondContact OG-CB 3.24Å; S288-I295 PolarHBondContact OG-N 3.43Å; S288-I295 PolarHBondContact OG-O 3.27Å
289G88.1Confident95.2Very high44 Ų4467.5 Ų67.545%0.45439%0.392SS..  trans-118.7164.7170.700000111V287 N291 G292V287-G289 PolarHBondContact O-N 2.86Å; G289-N291 PolarHBondContact O-N 2.95Å; G289-N291 VanDerWaalsContact O-N 3.1Å; G289-G292 PolarHBondContact O-N 2.96Å
290D86.5Confident95.4Very high169 Ų16959.1 Ų59.190%0.90436%0.355SS*.THydrogen-bonded Turntrans-56.8-31.3-171.9-63.4-25.5000114.4
291N89.8Confident95.7Very high147 Ų14758.5 Ų58.579%0.78635%0.348SS*.THydrogen-bonded Turntrans-117.216.1178.1-62.9-34.9000112.6G289 P309G289-N291 PolarHBondContact O-N 2.95Å; G289-N291 VanDerWaalsContact O-N 3.1Å; N291-P309 WeakPolarHBondContact O-CG 3.45Å
292G93.9Very high95.8Very high26 Ų2659.2 Ų59.227%0.26835%0.352SS..SBendtrans-99.9172.2179.900000112.4G289G289-G292 PolarHBondContact O-N 2.96Å
293P97.4Very high95.8Very high21 Ų2161.3 Ų61.314%0.13637%0.366CS..PPolyproline II helixtrans-60.4158.3169.230-38.1000111.2I295 I307 A311 I313P293-I295 HydrophobicContact CG-CD1 3.97Å; P293-I295 PolarHBondContact O-N 2.87Å; P293-I307 HydrophobicContact CB-CG2 3.66Å; P293-I307 HydrophobicContact CG-CB 4.11Å; P293-I307 HydrophobicContact CG-CG2 3.66Å; P293-A311 HydrophobicContact CB-CB 4.24Å; P293-A311 WeakPolarHBondContact CB-O 3.28Å; P293-I313 HydrophobicContact CB-CG1 4.32Å
294T98.3Very high95.9Very high74 Ų7456.7 Ų56.745%0.45435%0.349SS..EExtended strand (participates in β ladder)trans-74.3117.9170.1-60.20000109.7I296 A311 V312 I313T294-I296 HydrophobicContact CG2-CG1 4.27Å; T294-A311 PolarHBondContact N-O 3.28Å; T294-V312 HydrophobicContact CG2-CG1 4.26Å; T294-V312 WeakPolarHBondContact O-CA 3.25Å; T294-I313 PolarHBondContact O-N 2.87Å
295I98.4Very high95.9Very high21 Ų2155.6 Ų55.611%0.10835%0.348CS..EExtended strand (participates in β ladder)trans-98.1128.4175.1-53.7-55.9000110.2A286 S288 P293 V299 I301 I313A286-I295 HydrophobicContact CB-CD1 4.37Å; A286-I295 HydrophobicContact CB-CG1 4.31Å; A286-I295 HydrophobicContact CB-CG2 4.47Å; S288-I295 WeakPolarHBondContact OG-CB 3.24Å; S288-I295 PolarHBondContact OG-N 3.43Å; S288-I295 PolarHBondContact OG-O 3.27Å; P293-I295 HydrophobicContact CG-CD1 3.97Å; P293-I295 PolarHBondContact O-N 2.87Å; I295-V299 HydrophobicContact CD1-CG1 4.44Å; I295-V299 HydrophobicContact CG2-CB 3.79Å; I295-V299 HydrophobicContact CG2-CG1 4.49Å; I295-V299 HydrophobicContact CG2-CG2 3.83Å; I295-I301 HydrophobicContact CD1-CD1 3.66Å; I295-I313 WeakPolarHBondContact CA-O 3.5Å; I295-I313 HydrophobicContact CD1-CB 3.95Å; I295-I313 HydrophobicContact CD1-CG1 4.31Å
296I98Very high95.9Very high82 Ų8260.4 Ų60.442%0.42137%0.37SS..  trans-116.9121.4177.4-59.1178.3000108.9T294 V312 I313 G314 P315T294-I296 HydrophobicContact CG2-CG1 4.27Å; I296-V312 HydrophobicContact CD1-CG1 3.52Å; I296-V312 HydrophobicContact CG1-CG1 4.11Å; I296-I313 PolarHBondContact N-O 3.01Å; I296-G314 WeakPolarHBondContact O-CA 3.38Å; I296-P315 WeakPolarHBondContact O-CA 3.21Å
297G96.9Very high95.9Very high40 Ų4060.6 Ų60.641%0.41237%0.367SS..SBendtrans68.1-143.2175.200000113.5
298D98.1Very high96.1Very high11 Ų1156.8 Ų56.86%0.05934%0.343CS..SBendtrans-90.2116.2-177.1-60.8-38.9000111.2L274 H275 R278 L285 N316 V317L274-D298 HydrophobicContact CB-CB 3.79Å; H275-D298 WeakPolarHBondContact CA-OD2 3.1Å; H275-D298 IonicContact ND1-OD2 3.71Å; R278-D298 IonicContact CZ-OD1 2.98Å; R278-D298 IonicContact NE-OD1 2.66Å; R278-D298 PolarHBondContact NE-OD1 2.74Å; R278-D298 IonicContact NE-OD2 3.28Å; R278-D298 PolarHBondContact NE-OD2 2.98Å; R278-D298 IonicContact NH2-OD1 2.66Å; R278-D298 PolarHBondContact NH2-OD1 2.84Å; R278-D298 IonicContact NH2-OD2 3.93Å; L285-D298 HydrophobicContact CD2-CB 4.2Å; D298-N316 VanDerWaalsContact O-CA 3.24Å; D298-N316 WeakPolarHBondContact O-CA 3.31Å; D298-N316 PolarHBondContact O-N 3.33Å; D298-V317 PolarHBondContact O-N 3.18Å
299V98.7Very high96.4Very high0 Ų056.8 Ų56.80%034%0.341CS..EExtended strand (participates in β ladder)trans-137.2134.7-178.5174.20000109.5L285 A286 I295 I301 I313 V317L285-V299 CarbonylContact C-O 3.54Å; L285-V299 WeakPolarHBondContact CA-O 3.38Å; A286-V299 HydrophobicContact CB-CB 4.47Å; A286-V299 HydrophobicContact CB-CG1 4.31Å; A286-V299 PolarHBondContact N-O 3.39Å; I295-V299 HydrophobicContact CD1-CG1 4.44Å; I295-V299 HydrophobicContact CG2-CB 3.79Å; I295-V299 HydrophobicContact CG2-CG1 4.49Å; I295-V299 HydrophobicContact CG2-CG2 3.83Å; V299-I301 HydrophobicContact CG1-CD1 3.94Å; V299-I301 HydrophobicContact CG1-CG1 3.85Å; V299-I313 HydrophobicContact CG1-CB 4.42Å; V299-I313 HydrophobicContact CG1-CG2 3.6Å; V299-I313 HydrophobicContact CG2-CG2 4.19Å; V299-V317 CarbonylContact C-O 3.6Å; V299-V317 VanDerWaalsContact CA-O 3.3Å; V299-V317 WeakPolarHBondContact CA-O 3.06Å; V299-V317 HydrophobicContact CG1-CB 4.39Å; V299-V317 HydrophobicContact CG2-CB 4.32Å
300F98.7Very high96.9Very high19 Ų1958.4 Ų58.48%0.08334%0.342CS..EExtended strand (participates in β ladder)trans-105.9131167.2173.4-84.2000109.3L274 R284 H302 V317 S318 I319L274-F300 HydrophobicContact CD2-CB 3.55Å; R284-F300 HydrophobicContact CB-CD2 4.33Å; R284-F300 VanDerWaalsContact O-CD2 3.31Å; R284-F300 WeakPolarHBondContact O-CD2 3.25Å; F300-H302 HydrophobicContact CE1-CB 4.2Å; F300-V317 PolarHBondContact N-O 3.32Å; F300-S318 CarbonylContact O-C 3.53Å; F300-S318 WeakPolarHBondContact O-CA 3.41Å; F300-I319 PolarHBondContact O-N 3.1Å
301I98.5Very high97.5Very high39 Ų3950.3 Ų50.320%0.230%0.299CS..EExtended strand (participates in β ladder)trans-127.4121.8173.1-68.6160.5000107.8A286 I295 V299 A305 I307 I319A286-I301 HydrophobicContact CB-CB 4.35Å; A286-I301 HydrophobicContact CB-CD1 3.72Å; A286-I301 HydrophobicContact CB-CG1 4.19Å; I295-I301 HydrophobicContact CD1-CD1 3.66Å; V299-I301 HydrophobicContact CG1-CD1 3.94Å; V299-I301 HydrophobicContact CG1-CG1 3.85Å; I301-A305 HydrophobicContact CG2-CB 3.96Å; I301-I307 HydrophobicContact CB-CD1 4.32Å; I301-I307 HydrophobicContact CD1-CD1 3.45Å; I301-I307 VanDerWaalsContact CD1-CD1 3.45Å; I301-I307 HydrophobicContact CG1-CD1 3.65Å; I301-I307 HydrophobicContact CG2-CD1 3.64Å; I301-I319 HydrophobicContact CG1-CB 4.33Å; I301-I319 HydrophobicContact CG1-CD1 4.19Å
302H98.4Very high97.9Very high54 Ų5444.9 Ų44.925%0.2527%0.271CS..  trans-61.2139173.6-171.5-99.7000110.4F300 S304 A305 I319 G320 N321F300-H302 HydrophobicContact CE1-CB 4.2Å; H302-S304 PolarHBondContact CE1-OG 3.06Å; H302-S304 PolarHBondContact ND1-N 3.44Å; H302-S304 VanDerWaalsContact ND1-N 3.2Å; H302-S304 PolarHBondContact ND1-OG 2.86Å; H302-S304 PolarHBondContact O-N 3.29Å; H302-A305 VanDerWaalsContact O-CB 3.31Å; H302-A305 WeakPolarHBondContact O-CB 3.46Å; H302-A305 PolarHBondContact O-N 3.14Å; H302-I319 PolarHBondContact N-O 2.83Å; H302-G320 WeakPolarHBondContact CB-O 3.2Å; H302-N321 PolarHBondContact CD2-OD1 3.11Å; H302-N321 PolarHBondContact CE1-OD1 3.39Å; H302-N321 VanDerWaalsContact CE1-OD1 3.28Å; H302-N321 PolarHBondContact ND1-OD1 3.17Å; H302-N321 PolarHBondContact NE2-OD1 3.44Å; H302-N321 VanDerWaalsContact NE2-OD1 3.11Å
303P96.8Very high98.1Very high122 Ų12243.6 Ų43.679%0.79226%0.258SS*.THydrogen-bonded Turntrans-58.2-22.9-176.6-28.936.5000115.8
304S97.9Very high98.1Very high38 Ų3843 Ų4327%0.26626%0.255SS..THydrogen-bonded Turntrans-87.6-8.8177.677.70000114.4H302 D322H302-S304 PolarHBondContact CE1-OG 3.06Å; H302-S304 PolarHBondContact ND1-N 3.44Å; H302-S304 VanDerWaalsContact ND1-N 3.2Å; H302-S304 PolarHBondContact ND1-OG 2.86Å; H302-S304 PolarHBondContact O-N 3.29Å; S304-D322 WeakPolarHBondContact CB-OD1 3.39Å; S304-D322 PolarHBondContact OG-N 3.28Å; S304-D322 PolarHBondContact OG-OD1 2.98Å
305A98.4Very high98.1Very high17 Ų1741.5 Ų41.514%0.1425%0.247CC..  trans-69.3143.8177.300000111I301 H302 I319 V323I301-A305 HydrophobicContact CG2-CB 3.96Å; H302-A305 VanDerWaalsContact O-CB 3.31Å; H302-A305 WeakPolarHBondContact O-CB 3.46Å; H302-A305 PolarHBondContact O-N 3.14Å; A305-I319 HydrophobicContact CB-CG2 3.82Å; A305-V323 CarbonylContact C-O 3.55Å; A305-V323 WeakPolarHBondContact CA-O 3.42Å; A305-V323 HydrophobicContact CB-CB 4.33Å
306Q98.1Very high98.1Very high126 Ų12641.4 Ų41.459%0.58925%0.247SC*.EExtended strand (participates in β ladder)trans-112.6113.3-179.7-63.4171.917.900108V323 K324 V325Q306-V323 PolarHBondContact N-O 3.11Å; Q306-K324 WeakPolarHBondContact O-CA 3.06Å; Q306-V325 PolarHBondContact O-N 2.63Å
307I98.3Very high98.1Very high30 Ų3037.5 Ų37.515%0.15423%0.227CC..EExtended strand (participates in β ladder)trans-123123.7-176.3-53.2179000108.7P293 I301 A311 I313 I319 V325P293-I307 HydrophobicContact CB-CG2 3.66Å; P293-I307 HydrophobicContact CG-CB 4.11Å; P293-I307 HydrophobicContact CG-CG2 3.66Å; I301-I307 HydrophobicContact CB-CD1 4.32Å; I301-I307 HydrophobicContact CD1-CD1 3.45Å; I301-I307 VanDerWaalsContact CD1-CD1 3.45Å; I301-I307 HydrophobicContact CG1-CD1 3.65Å; I301-I307 HydrophobicContact CG2-CD1 3.64Å; I307-A311 HydrophobicContact CG2-CB 3.82Å; I307-I313 HydrophobicContact CG2-CD1 4.26Å; I307-I313 HydrophobicContact CG2-CG1 4.24Å; I307-I319 HydrophobicContact CD1-CD1 3.64Å; I307-V325 HydrophobicContact CB-CB 4.3Å; I307-V325 HydrophobicContact CG1-CB 4.22Å; I307-V325 HydrophobicContact CG1-CG2 4.03Å; I307-V325 HydrophobicContact CG2-CB 3.95Å; I307-V325 HydrophobicContact CG2-CG1 4.11Å; I307-V325 HydrophobicContact CG2-CG2 4.45Å
308D98.3Very high98.2Very high43 Ų4335.8 Ų35.823%0.2321%0.208CC..  trans-60.9139.8177.9-172.5-92.8000111.7T310 A311 V325 P327D308-T310 PolarHBondContact O-N 2.97Å; D308-T310 VanDerWaalsContact O-N 3.1Å; D308-T310 VanDerWaalsContact OD1-CB 3.31Å; D308-T310 WeakPolarHBondContact OD1-CB 3.15Å; D308-T310 WeakPolarHBondContact OD1-CG2 3.3Å; D308-T310 PolarHBondContact OD1-N 3.42Å; D308-T310 PolarHBondContact OD1-OG1 2.89Å; D308-A311 VanDerWaalsContact O-CB 3.28Å; D308-A311 WeakPolarHBondContact O-CB 3.26Å; D308-A311 PolarHBondContact O-N 3.11Å; D308-V325 WeakPolarHBondContact CB-O 3.37Å; D308-V325 PolarHBondContact N-O 3.4Å; D308-P327 HydrophobicContact CB-CG 4.39Å; D308-P327 WeakPolarHBondContact OD1-CA 3.49Å
309P97.8Very high98.3Very high69 Ų6935.2 Ų35.245%0.44821%0.205SC..THydrogen-bonded Turntrans-58.9-23.3-179.5-25.535.1000114.7N291 A311N291-P309 WeakPolarHBondContact O-CG 3.45Å; P309-A311 VanDerWaalsContact C-N 3.32Å
310T97.8Very high98.3Very high78 Ų7835.7 Ų35.748%0.47921%0.21SC..THydrogen-bonded Turntrans-84.9-4.6179.269.60000113.5D308 P327 G328 R330D308-T310 PolarHBondContact O-N 2.97Å; D308-T310 VanDerWaalsContact O-N 3.1Å; D308-T310 VanDerWaalsContact OD1-CB 3.31Å; D308-T310 WeakPolarHBondContact OD1-CB 3.15Å; D308-T310 WeakPolarHBondContact OD1-CG2 3.3Å; D308-T310 PolarHBondContact OD1-N 3.42Å; D308-T310 PolarHBondContact OD1-OG1 2.89Å; T310-P327 VanDerWaalsContact OG1-CA 3.27Å; T310-P327 WeakPolarHBondContact OG1-CA 3.28Å; T310-G328 PolarHBondContact OG1-N 3.03Å; T310-R330 PolarHBondContact O-NH1 3.2Å
311A98.4Very high98.2Very high0 Ų037.8 Ų37.80%022%0.222CC..  trans-73.3152.7177.600000111.9P293 T294 I307 D308 P309 I313 V325 V329P293-A311 HydrophobicContact CB-CB 4.24Å; P293-A311 WeakPolarHBondContact CB-O 3.28Å; T294-A311 PolarHBondContact N-O 3.28Å; I307-A311 HydrophobicContact CG2-CB 3.82Å; D308-A311 VanDerWaalsContact O-CB 3.28Å; D308-A311 WeakPolarHBondContact O-CB 3.26Å; D308-A311 PolarHBondContact O-N 3.11Å; P309-A311 VanDerWaalsContact C-N 3.32Å; A311-I313 HydrophobicContact CB-CD1 4.16Å; A311-V325 HydrophobicContact CB-CG1 4.01Å; A311-V329 WeakPolarHBondContact CA-O 3.43Å
312V98.5Very high98.2Very high32 Ų3239.8 Ų39.819%0.19423%0.233CC..EExtended strand (participates in β ladder)trans-123.1119.3173.5-176.50000108.7T294 I296 V329 R330 I331T294-V312 HydrophobicContact CG2-CG1 4.26Å; T294-V312 WeakPolarHBondContact O-CA 3.25Å; I296-V312 HydrophobicContact CD1-CG1 3.52Å; I296-V312 HydrophobicContact CG1-CG1 4.11Å; V312-V329 PolarHBondContact N-O 3.23Å; V312-R330 WeakPolarHBondContact O-CA 3.09Å; V312-I331 PolarHBondContact O-N 3.12Å
313I98.7Very high98.2Very high0 Ų037.2 Ų37.20%022%0.221CC..EExtended strand (participates in β ladder)trans-119.5124.2-173.3-45.1-61.3000109P293 T294 I295 I296 V299 I307 A311 V317 I319 V325 I331P293-I313 HydrophobicContact CB-CG1 4.32Å; T294-I313 PolarHBondContact O-N 2.87Å; I295-I313 WeakPolarHBondContact CA-O 3.5Å; I295-I313 HydrophobicContact CD1-CB 3.95Å; I295-I313 HydrophobicContact CD1-CG1 4.31Å; I296-I313 PolarHBondContact N-O 3.01Å; V299-I313 HydrophobicContact CG1-CB 4.42Å; V299-I313 HydrophobicContact CG1-CG2 3.6Å; V299-I313 HydrophobicContact CG2-CG2 4.19Å; I307-I313 HydrophobicContact CG2-CD1 4.26Å; I307-I313 HydrophobicContact CG2-CG1 4.24Å; A311-I313 HydrophobicContact CB-CD1 4.16Å; I313-V317 HydrophobicContact CG2-CB 3.86Å; I313-V317 HydrophobicContact CG2-CG1 3.72Å; I313-V317 HydrophobicContact CG2-CG2 4.26Å; I313-I319 HydrophobicContact CD1-CD1 4.35Å; I313-I319 HydrophobicContact CG2-CD1 3.98Å; I313-V325 HydrophobicContact CD1-CG1 4.42Å; I313-I331 HydrophobicContact CD1-CB 4.23Å; I313-I331 HydrophobicContact CD1-CD1 3.81Å; I313-I331 HydrophobicContact CD1-CG1 3.91Å
314G98Very high98.3Very high8 Ų836.5 Ų36.58%0.08221%0.206CC..  trans114.4172.9172.700000115.2I296 I331 K332I296-G314 WeakPolarHBondContact O-CA 3.38Å; G314-I331 PolarHBondContact N-O 3.34Å; G314-K332 WeakPolarHBondContact O-CB 3.2Å
315P97.9Very high98.4Very high43 Ų4335 Ų3528%0.27920%0.195SC..SBendcis-77.6167.70.134.1-37.5000113.7I296 E333I296-P315 WeakPolarHBondContact O-CA 3.21Å; P315-E333 PolarHBondContact O-N 3.06Å
316N97.9Very high98.4Very high19 Ų1935.5 Ų35.510%0.10220%0.197CC..SBendtrans65.744.8166.4-50.6-41.8000113.8N270 R271 D298 E333 A334N270-N316 PolarHBondContact ND2-O 3.17Å; N270-N316 VanDerWaalsContact ND2-O 3.13Å; R271-N316 HydrophobicContact CB-CB 4.02Å; R271-N316 HydrophobicContact CG-CB 4.15Å; R271-N316 PolarHBondContact NE-ND2 2.98Å; D298-N316 VanDerWaalsContact O-CA 3.24Å; D298-N316 WeakPolarHBondContact O-CA 3.31Å; D298-N316 PolarHBondContact O-N 3.33Å; N316-E333 WeakPolarHBondContact CB-OE2 3.39Å; N316-E333 PolarHBondContact ND2-OE1 3.28Å; N316-A334 PolarHBondContact O-N 2.94Å
317V98.7Very high98.4Very high0 Ų031.8 Ų31.80%018%0.184CC..EExtended strand (participates in β ladder)trans-112.5135.9-178.3178.80000110.4L274 D298 V299 F300 I313 I319 I331 A334L274-V317 WeakPolarHBondContact CD1-O 3.36Å; D298-V317 PolarHBondContact O-N 3.18Å; V299-V317 CarbonylContact C-O 3.6Å; V299-V317 VanDerWaalsContact CA-O 3.3Å; V299-V317 WeakPolarHBondContact CA-O 3.06Å; V299-V317 HydrophobicContact CG1-CB 4.39Å; V299-V317 HydrophobicContact CG2-CB 4.32Å; F300-V317 PolarHBondContact N-O 3.32Å; I313-V317 HydrophobicContact CG2-CB 3.86Å; I313-V317 HydrophobicContact CG2-CG1 3.72Å; I313-V317 HydrophobicContact CG2-CG2 4.26Å; V317-I319 HydrophobicContact CG1-CD1 4.26Å; V317-I319 HydrophobicContact CG1-CG1 3.85Å; V317-I331 HydrophobicContact CB-CG2 4.39Å; V317-I331 HydrophobicContact CG1-CB 4.42Å; V317-I331 HydrophobicContact CG1-CG2 3.68Å; V317-I331 HydrophobicContact CG2-CB 4.26Å; V317-I331 HydrophobicContact CG2-CG2 3.71Å; V317-A334 WeakPolarHBondContact CA-O 3.26Å
318S98.8Very high98.4Very high3 Ų330.9 Ų30.92%0.02118%0.182CC..EExtended strand (participates in β ladder)trans-118.5131.5163.955.10000110.6N270 F300 A334 I336N270-S318 VanDerWaalsContact OD1-CB 3.31Å; N270-S318 WeakPolarHBondContact OD1-CB 3.34Å; N270-S318 PolarHBondContact OD1-OG 2.94Å; F300-S318 CarbonylContact O-C 3.53Å; F300-S318 WeakPolarHBondContact O-CA 3.41Å; S318-A334 PolarHBondContact N-O 3.03Å; S318-A334 VanDerWaalsContact N-O 3.12Å; S318-I336 PolarHBondContact O-N 3.08Å
319I98.8Very high98.4Very high0 Ų028.8 Ų28.80%017%0.171CC..EExtended strand (participates in β ladder)trans-116.7121.7179.8-64.1-178.4000108.8F300 I301 H302 A305 I307 I313 V317 V323 V325 I331 I336F300-I319 PolarHBondContact O-N 3.1Å; I301-I319 HydrophobicContact CG1-CB 4.33Å; I301-I319 HydrophobicContact CG1-CD1 4.19Å; H302-I319 PolarHBondContact N-O 2.83Å; A305-I319 HydrophobicContact CB-CG2 3.82Å; I307-I319 HydrophobicContact CD1-CD1 3.64Å; I313-I319 HydrophobicContact CD1-CD1 4.35Å; I313-I319 HydrophobicContact CG2-CD1 3.98Å; V317-I319 HydrophobicContact CG1-CD1 4.26Å; V317-I319 HydrophobicContact CG1-CG1 3.85Å; I319-V323 HydrophobicContact CG2-CB 3.56Å; I319-V323 HydrophobicContact CG2-CG1 3.71Å; I319-V323 HydrophobicContact CG2-CG2 3.89Å; I319-V325 HydrophobicContact CD1-CG2 4.42Å; I319-I331 HydrophobicContact CD1-CD1 4.31Å; I319-I336 HydrophobicContact CG1-CB 4.31Å; I319-I336 HydrophobicContact CG1-CG1 4.24Å
320G98.5Very high98.4Very high10 Ų1030.4 Ų30.410%0.10317%0.168CC..  trans-78.6-169.6-178.800000114.2H302 V323 I336H302-G320 WeakPolarHBondContact CB-O 3.2Å; G320-V323 WeakPolarHBondContact O-CG2 3.21Å; G320-I336 PolarHBondContact N-O 2.81Å
321N97.6Very high98.5Very high63 Ų6326.9 Ų26.934%0.33715%0.147SC..THydrogen-bonded Turntrans-70.2140.8-171.5-52.4-16.2000110.9H302 V323 D338 N339H302-N321 PolarHBondContact CD2-OD1 3.11Å; H302-N321 PolarHBondContact CE1-OD1 3.39Å; H302-N321 VanDerWaalsContact CE1-OD1 3.28Å; H302-N321 PolarHBondContact ND1-OD1 3.17Å; H302-N321 PolarHBondContact NE2-OD1 3.44Å; H302-N321 VanDerWaalsContact NE2-OD1 3.11Å; N321-V323 PolarHBondContact O-N 3.38Å; N321-D338 HydrophobicContact CB-CB 4.33Å; N321-D338 PolarHBondContact N-OD1 2.91Å; N321-D338 CarbonylContact O-C 3.5Å; N321-D338 VanDerWaalsContact O-CA 3.26Å; N321-D338 WeakPolarHBondContact O-CA 3.13Å; N321-N339 PolarHBondContact O-N 2.97Å
322D98.5Very high98.5Very high81 Ų8130.7 Ų30.743%0.43316%0.163SC..THydrogen-bonded Turntrans56.122.4169.8-50.8-38.3000114S304 N339S304-D322 WeakPolarHBondContact CB-OD1 3.39Å; S304-D322 PolarHBondContact OG-N 3.28Å; S304-D322 PolarHBondContact OG-OD1 2.98Å; D322-N339 WeakPolarHBondContact CB-OD1 3.35Å
323V98.8Very high98.4Very high0 Ų030 Ų300%016%0.158CC..  trans-68.5138.1171.9172.80000109A305 Q306 I319 G320 N321 V325 I336 L337 V340A305-V323 CarbonylContact C-O 3.55Å; A305-V323 WeakPolarHBondContact CA-O 3.42Å; A305-V323 HydrophobicContact CB-CB 4.33Å; Q306-V323 PolarHBondContact N-O 3.11Å; I319-V323 HydrophobicContact CG2-CB 3.56Å; I319-V323 HydrophobicContact CG2-CG1 3.71Å; I319-V323 HydrophobicContact CG2-CG2 3.89Å; G320-V323 WeakPolarHBondContact O-CG2 3.21Å; N321-V323 PolarHBondContact O-N 3.38Å; V323-V325 HydrophobicContact CG1-CG2 3.92Å; V323-I336 HydrophobicContact CG1-CG2 3.79Å; V323-I336 HydrophobicContact CG2-CG2 4.03Å; V323-L337 WeakPolarHBondContact CG2-O 3.44Å; V323-V340 CarbonylContact C-O 3.54Å; V323-V340 VanDerWaalsContact CA-O 3.31Å; V323-V340 WeakPolarHBondContact CA-O 3.49Å; V323-V340 HydrophobicContact CG1-CB 4.47Å; V323-V340 WeakPolarHBondContact CG1-O 3.3Å; V323-V340 HydrophobicContact CG2-CB 4.28Å
324K98.8Very high98.4Very high106 Ų10630 Ų3046%0.46116%0.158SC..EExtended strand (participates in β ladder)trans-114.1121.6175.3-63.7178.9-177.7176.30109.5Q306 V340 V341 L342Q306-K324 WeakPolarHBondContact O-CA 3.06Å; K324-V340 PolarHBondContact N-O 3.25Å; K324-V341 HydrophobicContact CB-CG1 4.35Å; K324-V341 HydrophobicContact CB-CG2 4.43Å; K324-V341 WeakPolarHBondContact O-CA 3.44Å; K324-L342 PolarHBondContact O-N 2.93Å
325V98.8Very high98.4Very high7 Ų729.6 Ų29.64%0.04215%0.154CC..EExtended strand (participates in β ladder)trans-116.3112.1178.1-177.10000108.3Q306 I307 D308 A311 I313 I319 V323 V329 I331 L342Q306-V325 PolarHBondContact O-N 2.63Å; I307-V325 HydrophobicContact CB-CB 4.3Å; I307-V325 HydrophobicContact CG1-CB 4.22Å; I307-V325 HydrophobicContact CG1-CG2 4.03Å; I307-V325 HydrophobicContact CG2-CB 3.95Å; I307-V325 HydrophobicContact CG2-CG1 4.11Å; I307-V325 HydrophobicContact CG2-CG2 4.45Å; D308-V325 WeakPolarHBondContact CB-O 3.37Å; D308-V325 PolarHBondContact N-O 3.4Å; A311-V325 HydrophobicContact CB-CG1 4.01Å; I313-V325 HydrophobicContact CD1-CG1 4.42Å; I319-V325 HydrophobicContact CD1-CG2 4.42Å; V323-V325 HydrophobicContact CG1-CG2 3.92Å; V325-V329 HydrophobicContact CG1-CB 3.53Å; V325-V329 HydrophobicContact CG1-CG1 3.63Å; V325-V329 HydrophobicContact CG1-CG2 3.98Å; V325-I331 HydrophobicContact CG2-CD1 4.46Å; V325-L342 HydrophobicContact CG2-CD1 4.34Å
326S98.7Very high98.5Very high27 Ų2727.6 Ų27.619%0.18914%0.141CC..  trans-70173.1179.2-90.20000114.2V329 L342 D344S326-V329 VanDerWaalsContact O-CG2 3.26Å; S326-V329 WeakPolarHBondContact O-CG2 3.2Å; S326-L342 WeakPolarHBondContact CB-O 3.14Å; S326-L342 PolarHBondContact N-O 2.96Å; S326-D344 WeakPolarHBondContact CB-OD1 3.31Å; S326-D344 PolarHBondContact OG-OD1 2.82Å
327P98.6Very high98.5Very high48 Ų4826.9 Ų26.931%0.31214%0.137SC..THydrogen-bonded Turntrans-52143.7174.1-26.933.7000114.7D308 T310 V329 D344 N345D308-P327 HydrophobicContact CB-CG 4.39Å; D308-P327 WeakPolarHBondContact OD1-CA 3.49Å; T310-P327 VanDerWaalsContact OG1-CA 3.27Å; T310-P327 WeakPolarHBondContact OG1-CA 3.28Å; P327-V329 PolarHBondContact O-N 3.38Å; P327-V329 VanDerWaalsContact O-N 3.08Å; P327-D344 CarbonylContact O-C 3.52Å; P327-D344 VanDerWaalsContact O-CA 3.29Å; P327-D344 WeakPolarHBondContact O-CA 3.32Å; P327-N345 PolarHBondContact O-N 2.91Å
328G98.1Very high98.5Very high11 Ų1128.1 Ų28.111%0.11314%0.144CC..THydrogen-bonded Turntrans71.5-0.7171.700000116T310 R330T310-G328 PolarHBondContact OG1-N 3.03Å; G328-R330 PolarHBondContact O-NH1 2.87Å
329V98.8Very high98.4Very high0 Ų031.5 Ų31.50%016%0.161CC..  trans-64.1143.7-179.5175.50000111.6A311 V312 V325 S326 P327 I331 L342 H343 S346A311-V329 WeakPolarHBondContact CA-O 3.43Å; V312-V329 PolarHBondContact N-O 3.23Å; V325-V329 HydrophobicContact CG1-CB 3.53Å; V325-V329 HydrophobicContact CG1-CG1 3.63Å; V325-V329 HydrophobicContact CG1-CG2 3.98Å; S326-V329 VanDerWaalsContact O-CG2 3.26Å; S326-V329 WeakPolarHBondContact O-CG2 3.2Å; P327-V329 PolarHBondContact O-N 3.38Å; P327-V329 VanDerWaalsContact O-N 3.08Å; V329-I331 HydrophobicContact CG1-CD1 4.08Å; V329-I331 HydrophobicContact CG1-CG1 3.77Å; V329-L342 HydrophobicContact CG1-CB 4.34Å; V329-L342 HydrophobicContact CG1-CD1 4.22Å; V329-L342 HydrophobicContact CG2-CB 4.41Å; V329-H343 WeakPolarHBondContact CG2-O 3.14Å; V329-S346 WeakPolarHBondContact CA-O 3.47Å
330R98.8Very high98.4Very high102 Ų10231.5 Ų31.539%0.38516%0.161SC..EExtended strand (participates in β ladder)trans-126.6122.6179-55.5-63.7176.7-108.67110.4T310 V312 G328 S346 C347 I348T310-R330 PolarHBondContact O-NH1 3.2Å; V312-R330 WeakPolarHBondContact O-CA 3.09Å; G328-R330 PolarHBondContact O-NH1 2.87Å; R330-S346 PolarHBondContact N-O 3.5Å; R330-C347 CarbonylContact O-C 3.58Å; R330-C347 WeakPolarHBondContact O-CA 3.31Å; R330-I348 PolarHBondContact O-N 2.9Å
331I98.8Very high98.5Very high5 Ų532.6 Ų32.63%0.02617%0.166CC..EExtended strand (participates in β ladder)trans-129.2131.4-177.4-45.8-176.5000110.1V312 I313 G314 V317 I319 V325 V329 A334 I336 L342 I348V312-I331 PolarHBondContact O-N 3.12Å; I313-I331 HydrophobicContact CD1-CB 4.23Å; I313-I331 HydrophobicContact CD1-CD1 3.81Å; I313-I331 HydrophobicContact CD1-CG1 3.91Å; G314-I331 PolarHBondContact N-O 3.34Å; V317-I331 HydrophobicContact CB-CG2 4.39Å; V317-I331 HydrophobicContact CG1-CB 4.42Å; V317-I331 HydrophobicContact CG1-CG2 3.68Å; V317-I331 HydrophobicContact CG2-CB 4.26Å; V317-I331 HydrophobicContact CG2-CG2 3.71Å; I319-I331 HydrophobicContact CD1-CD1 4.31Å; V325-I331 HydrophobicContact CG2-CD1 4.46Å; V329-I331 HydrophobicContact CG1-CD1 4.08Å; V329-I331 HydrophobicContact CG1-CG1 3.77Å; I331-A334 HydrophobicContact CG2-CB 3.67Å; I331-I336 HydrophobicContact CD1-CG1 4.25Å; I331-I336 HydrophobicContact CG2-CD1 4.33Å; I331-I336 HydrophobicContact CG2-CG1 4.42Å; I331-L342 HydrophobicContact CD1-CD1 3.45Å; I331-L342 VanDerWaalsContact CD1-CD1 3.45Å; I331-L342 HydrophobicContact CG1-CD1 4.33Å; I331-I348 VanDerWaalsContact CA-O 3.29Å; I331-I348 WeakPolarHBondContact CA-O 3.42Å; I331-I348 HydrophobicContact CG1-CB 4.41Å; I331-I348 HydrophobicContact CG2-CB 4.19Å
332K98Very high98.5Very high80 Ų8029.6 Ų29.635%0.34815%0.15SC..EExtended strand (participates in β ladder)trans-146.2150.4167.268.9-178.3-178.9-1750111.2G314 A334 I348 M349 Y350G314-K332 WeakPolarHBondContact O-CB 3.2Å; K332-A334 VanDerWaalsContact C-N 3.28Å; K332-A334 PolarHBondContact O-N 2.9Å; K332-I348 PolarHBondContact N-O 2.68Å; K332-M349 HydrophobicContact CG-CB 4.13Å; K332-M349 HydrophobicContact CG-CG 3.93Å; K332-M349 VanDerWaalsContact O-CA 3.28Å; K332-M349 WeakPolarHBondContact O-CA 3.23Å; K332-Y350 PolarHBondContact O-N 3.13Å
333E97.4Very high98.5Very high16 Ų1628.4 Ų28.48%0.07514%0.142CC..EExtended strand (participates in β ladder)trans53.347.1173.6-62.2-75.4-17500112.1I267 R271 P315 N316 Y350 S351I267-E333 HydrophobicContact CG2-CB 4.38Å; R271-E333 IonicContact CZ-OE1 3.34Å; R271-E333 IonicContact CZ-OE2 3.31Å; R271-E333 VanDerWaalsContact CZ-OE2 3.31Å; R271-E333 IonicContact NE-OE1 3.07Å; R271-E333 PolarHBondContact NE-OE1 3.07Å; R271-E333 IonicContact NE-OE2 3.1Å; R271-E333 PolarHBondContact NE-OE2 2.83Å; R271-E333 VanDerWaalsContact NE-OE2 3.1Å; R271-E333 IonicContact NH2-OE1 3.04Å; R271-E333 PolarHBondContact NH2-OE1 3.24Å; R271-E333 IonicContact NH2-OE2 2.7Å; R271-E333 PolarHBondContact NH2-OE2 3.01Å; P315-E333 PolarHBondContact O-N 3.06Å; N316-E333 WeakPolarHBondContact CB-OE2 3.39Å; N316-E333 PolarHBondContact ND2-OE1 3.28Å; E333-Y350 HydrophobicContact CB-CD1 3.48Å; E333-Y350 VanDerWaalsContact CB-CD1 3.48Å; E333-Y350 HydrophobicContact CB-CE1 3.59Å; E333-Y350 HydrophobicContact CB-CG 4.2Å; E333-Y350 HydrophobicContact CG-CD1 3.97Å; E333-Y350 HydrophobicContact CG-CE1 3.51Å; E333-Y350 WeakPolarHBondContact O-CA 3.42Å; E333-Y350 PolarHBondContact O-N 3.45Å; E333-Y350 VanDerWaalsContact O-N 3.08Å; E333-S351 PolarHBondContact O-N 3.3Å
334A98.4Very high98.5Very high0 Ų030.8 Ų30.80%015%0.154CC..EExtended strand (participates in β ladder)trans-140.2153.9-169.100000112.6N316 V317 S318 I331 K332 I336 I348 S351N316-A334 PolarHBondContact O-N 2.94Å; V317-A334 WeakPolarHBondContact CA-O 3.26Å; S318-A334 PolarHBondContact N-O 3.03Å; S318-A334 VanDerWaalsContact N-O 3.12Å; I331-A334 HydrophobicContact CG2-CB 3.67Å; K332-A334 VanDerWaalsContact C-N 3.28Å; K332-A334 PolarHBondContact O-N 2.9Å; A334-I336 HydrophobicContact CB-CD1 4.21Å; A334-I348 HydrophobicContact CB-CG2 4.09Å; A334-S351 WeakPolarHBondContact CA-O 3.16Å; A334-S351 WeakPolarHBondContact CB-O 3.5Å
335I98.7Very high98.5Very high1 Ų128.4 Ų28.41%0.00515%0.147CC..EExtended strand (participates in β ladder)trans-118.7116.4171.1-61.1169.7000106.9F40 I42 A266 I267 N270 L337 S351 V352 I353F40-I335 HydrophobicContact CE1-CD1 3.97Å; F40-I335 HydrophobicContact CE1-CG2 4.5Å; F40-I335 HydrophobicContact CZ-CD1 4.34Å; F40-I335 HydrophobicContact CZ-CG2 4.26Å; I42-I335 HydrophobicContact CD1-CD1 4.21Å; A266-I335 HydrophobicContact CB-CD1 3.97Å; I267-I335 HydrophobicContact CD1-CB 4.43Å; I267-I335 HydrophobicContact CD1-CD1 4.03Å; I267-I335 HydrophobicContact CD1-CG1 3.87Å; N270-I335 HydrophobicContact CB-CD1 3.85Å; N270-I335 HydrophobicContact CB-CG1 3.97Å; I335-L337 HydrophobicContact CG2-CD2 3.64Å; I335-L337 HydrophobicContact CG2-CG 4.44Å; I335-S351 PolarHBondContact N-O 2.91Å; I335-V352 HydrophobicContact CB-CG1 4.32Å; I335-V352 HydrophobicContact CB-CG2 4.39Å; I335-V352 HydrophobicContact CD1-CG2 4.46Å; I335-V352 WeakPolarHBondContact O-CA 3.27Å; I335-I353 PolarHBondContact O-N 3.14Å
336I98.8Very high98.5Very high1 Ų128 Ų281%0.00515%0.145CC..EExtended strand (participates in β ladder)trans-106.6111177.6-46.1-56.6000107.4S318 I319 G320 V323 I331 A334 V340 L342 I348 I353S318-I336 PolarHBondContact O-N 3.08Å; I319-I336 HydrophobicContact CG1-CB 4.31Å; I319-I336 HydrophobicContact CG1-CG1 4.24Å; G320-I336 PolarHBondContact N-O 2.81Å; V323-I336 HydrophobicContact CG1-CG2 3.79Å; V323-I336 HydrophobicContact CG2-CG2 4.03Å; I331-I336 HydrophobicContact CD1-CG1 4.25Å; I331-I336 HydrophobicContact CG2-CD1 4.33Å; I331-I336 HydrophobicContact CG2-CG1 4.42Å; A334-I336 HydrophobicContact CB-CD1 4.21Å; I336-V340 HydrophobicContact CG2-CB 3.69Å; I336-V340 HydrophobicContact CG2-CG1 3.65Å; I336-V340 HydrophobicContact CG2-CG2 4.15Å; I336-L342 HydrophobicContact CD1-CD1 4.38Å; I336-L342 HydrophobicContact CG2-CD1 4.47Å; I336-I348 HydrophobicContact CD1-CG2 3.93Å; I336-I353 HydrophobicContact CD1-CB 4.07Å; I336-I353 HydrophobicContact CD1-CG1 3.56Å
337L98.2Very high98.5Very high3 Ų328.3 Ų28.32%0.01615%0.146CC..  trans-81.6175.1-178-59.3-171.3000112.2F40 P41 V323 I335 V340 I353 A354 R355F40-L337 HydrophobicContact CD2-CD1 4.42Å; F40-L337 HydrophobicContact CE2-CD1 3.82Å; F40-L337 HydrophobicContact CE2-CD2 4.29Å; F40-L337 HydrophobicContact CZ-CD2 4.35Å; P41-L337 HydrophobicContact CB-CD2 4.26Å; P41-L337 HydrophobicContact CG-CD2 3.96Å; V323-L337 WeakPolarHBondContact CG2-O 3.44Å; I335-L337 HydrophobicContact CG2-CD2 3.64Å; I335-L337 HydrophobicContact CG2-CG 4.44Å; L337-V340 WeakPolarHBondContact O-CB 3.33Å; L337-V340 WeakPolarHBondContact O-CG2 3.19Å; L337-V340 PolarHBondContact O-N 2.7Å; L337-I353 WeakPolarHBondContact CB-O 3.43Å; L337-I353 WeakPolarHBondContact CG-O 3.34Å; L337-I353 PolarHBondContact N-O 3.34Å; L337-A354 HydrophobicContact CD1-CB 4.24Å; L337-R355 HydrophobicContact CB-CG 3.79Å; L337-R355 HydrophobicContact CD1-CG 4.27Å
338D97.8Very high98.5Very high27 Ų2726 Ų2614%0.14413%0.131CC..THydrogen-bonded Turntrans-55.4144.1-171.3-41.6-45.8000113.9N321 V340 R355 N356N321-D338 HydrophobicContact CB-CB 4.33Å; N321-D338 PolarHBondContact N-OD1 2.91Å; N321-D338 CarbonylContact O-C 3.5Å; N321-D338 VanDerWaalsContact O-CA 3.26Å; N321-D338 WeakPolarHBondContact O-CA 3.13Å; D338-V340 PolarHBondContact O-N 3.01Å; D338-V340 VanDerWaalsContact O-N 3.15Å; D338-R355 HydrophobicContact CB-CG 4.17Å; D338-R355 WeakPolarHBondContact O-CA 3.47Å; D338-R355 IonicContact OD2-NE 3.03Å; D338-R355 PolarHBondContact OD2-NE 3.38Å; D338-N356 PolarHBondContact O-N 2.85Å
339N98.4Very high98.5Very high73 Ų7326.5 Ų26.539%0.3913%0.131SC..THydrogen-bonded Turntrans5820177.4-50.5-55.5000115.3N321 D322 N356N321-N339 PolarHBondContact O-N 2.97Å; D322-N339 WeakPolarHBondContact CB-OD1 3.35Å; N339-N356 VanDerWaalsContact CB-OD1 3.27Å; N339-N356 WeakPolarHBondContact CB-OD1 3.17Å; N339-N356 PolarHBondContact ND2-OD1 2.72Å; N339-N356 VanDerWaalsContact ND2-OD1 3.17Å
340V98.8Very high98.4Very high0 Ų028.7 Ų28.70%014%0.139CC..  trans-72.1141.6173.9168.70000110.3V323 K324 I336 L337 D338 L342 I353 A354 A357V323-V340 CarbonylContact C-O 3.54Å; V323-V340 VanDerWaalsContact CA-O 3.31Å; V323-V340 WeakPolarHBondContact CA-O 3.49Å; V323-V340 HydrophobicContact CG1-CB 4.47Å; V323-V340 WeakPolarHBondContact CG1-O 3.3Å; V323-V340 HydrophobicContact CG2-CB 4.28Å; K324-V340 PolarHBondContact N-O 3.25Å; I336-V340 HydrophobicContact CG2-CB 3.69Å; I336-V340 HydrophobicContact CG2-CG1 3.65Å; I336-V340 HydrophobicContact CG2-CG2 4.15Å; L337-V340 WeakPolarHBondContact O-CB 3.33Å; L337-V340 WeakPolarHBondContact O-CG2 3.19Å; L337-V340 PolarHBondContact O-N 2.7Å; D338-V340 PolarHBondContact O-N 3.01Å; D338-V340 VanDerWaalsContact O-N 3.15Å; V340-L342 HydrophobicContact CG1-CD2 3.61Å; V340-L342 HydrophobicContact CG1-CG 3.96Å; V340-I353 HydrophobicContact CB-CG2 4.46Å; V340-I353 HydrophobicContact CG1-CB 4.47Å; V340-I353 HydrophobicContact CG1-CG2 3.7Å; V340-I353 HydrophobicContact CG2-CB 4.46Å; V340-I353 HydrophobicContact CG2-CG2 3.84Å; V340-A354 WeakPolarHBondContact CG2-O 3.46Å; V340-A357 VanDerWaalsContact CA-O 3.3Å; V340-A357 WeakPolarHBondContact CA-O 3.31Å; V340-A357 HydrophobicContact CG2-CB 4.37Å
341V98.9Very high98.3Very high34 Ų3423.9 Ų23.921%0.20612%0.121CC..EExtended strand (participates in β ladder)trans-115.4120172-174.40000109K324 A357 Q358 V359K324-V341 HydrophobicContact CB-CG1 4.35Å; K324-V341 HydrophobicContact CB-CG2 4.43Å; K324-V341 WeakPolarHBondContact O-CA 3.44Å; V341-A357 PolarHBondContact N-O 3.28Å; V341-Q358 HydrophobicContact CB-CG 4.24Å; V341-Q358 CarbonylContact O-C 3.59Å; V341-Q358 WeakPolarHBondContact O-CA 3.05Å; V341-V359 PolarHBondContact O-N 3.16Å
342L98.9Very high98.3Very high0 Ų023.6 Ų23.60%012%0.12CC..EExtended strand (participates in β ladder)trans-109.6113.7174.7-55.7-179.4000108.1K324 V325 S326 V329 I331 I336 V340 I348 V359K324-L342 PolarHBondContact O-N 2.93Å; V325-L342 HydrophobicContact CG2-CD1 4.34Å; S326-L342 WeakPolarHBondContact CB-O 3.14Å; S326-L342 PolarHBondContact N-O 2.96Å; V329-L342 HydrophobicContact CG1-CB 4.34Å; V329-L342 HydrophobicContact CG1-CD1 4.22Å; V329-L342 HydrophobicContact CG2-CB 4.41Å; I331-L342 HydrophobicContact CD1-CD1 3.45Å; I331-L342 VanDerWaalsContact CD1-CD1 3.45Å; I331-L342 HydrophobicContact CG1-CD1 4.33Å; I336-L342 HydrophobicContact CD1-CD1 4.38Å; I336-L342 HydrophobicContact CG2-CD1 4.47Å; V340-L342 HydrophobicContact CG1-CD2 3.61Å; V340-L342 HydrophobicContact CG1-CG 3.96Å; L342-I348 HydrophobicContact CD1-CG1 4.03Å; L342-I348 HydrophobicContact CD2-CD1 4.23Å; L342-I348 HydrophobicContact CD2-CG1 4.23Å; L342-V359 HydrophobicContact CD2-CB 3.72Å; L342-V359 HydrophobicContact CD2-CG2 3.68Å
343H98.7Very high98.3Very high56 Ų5619.8 Ų19.826%0.25910%0.103SC..  trans-82.9170.7-178.9-67.2-75.1000112.5V329 S346 V359 Q361V329-H343 WeakPolarHBondContact CG2-O 3.14Å; H343-S346 VanDerWaalsContact O-CB 3.3Å; H343-S346 WeakPolarHBondContact O-CB 3.46Å; H343-S346 PolarHBondContact O-N 3.28Å; H343-S346 PolarHBondContact O-OG 3.06Å; H343-V359 WeakPolarHBondContact CB-O 3.45Å; H343-V359 PolarHBondContact CD2-O 3.11Å; H343-V359 VanDerWaalsContact CD2-O 3.24Å; H343-V359 PolarHBondContact N-O 3.4Å; H343-Q361 HydrophobicContact CB-CG 3.85Å
344D98.7Very high98.3Very high49 Ų4919.3 Ų19.326%0.26210%0.102SC..THydrogen-bonded Turntrans-51136.5-164.4-58.934.7000113.2S326 P327 S346 Q361 W362S326-D344 WeakPolarHBondContact CB-OD1 3.31Å; S326-D344 PolarHBondContact OG-OD1 2.82Å; P327-D344 CarbonylContact O-C 3.52Å; P327-D344 VanDerWaalsContact O-CA 3.29Å; P327-D344 WeakPolarHBondContact O-CA 3.32Å; D344-S346 PolarHBondContact O-N 2.88Å; D344-Q361 HydrophobicContact CB-CG 4.21Å; D344-Q361 CarbonylContact O-C 3.51Å; D344-Q361 VanDerWaalsContact O-CA 3.26Å; D344-Q361 WeakPolarHBondContact O-CA 3.41Å; D344-W362 PolarHBondContact O-N 2.8Å
345N98.5Very high98.2Very high56 Ų5621.3 Ų21.330%0.29911%0.109SC..THydrogen-bonded Turntrans57.816.5176-54-65.1000115.4P327 W362P327-N345 PolarHBondContact O-N 2.91Å; N345-W362 HydrophobicContact CB-CD2 3.7Å; N345-W362 HydrophobicContact CB-CE3 3.7Å; N345-W362 HydrophobicContact CB-CG 4.36Å; N345-W362 HydrophobicContact CB-CH2 3.94Å; N345-W362 HydrophobicContact CB-CZ2 3.94Å; N345-W362 HydrophobicContact CB-CZ3 3.83Å; N345-W362 WeakPolarHBondContact ND2-CZ2 3.48Å
346S98.5Very high98.2Very high0 Ų024.3 Ų24.30%013%0.126CC..  trans-72.9150.3174.262.80000112.5V329 R330 H343 D344 C363V329-S346 WeakPolarHBondContact CA-O 3.47Å; R330-S346 PolarHBondContact N-O 3.5Å; H343-S346 VanDerWaalsContact O-CB 3.3Å; H343-S346 WeakPolarHBondContact O-CB 3.46Å; H343-S346 PolarHBondContact O-N 3.28Å; H343-S346 PolarHBondContact O-OG 3.06Å; D344-S346 PolarHBondContact O-N 2.88Å; S346-C363 CarbonylContact C-O 3.58Å; S346-C363 VanDerWaalsContact CA-O 3.24Å; S346-C363 WeakPolarHBondContact CA-O 3.35Å
347C98.5Very high98.2Very high33 Ų3324.3 Ų24.322%0.22313%0.125CC..EExtended strand (participates in β ladder)trans-121.3119.9-179-72.40000110.7R330 C363 R364 V365R330-C347 CarbonylContact O-C 3.58Å; R330-C347 WeakPolarHBondContact O-CA 3.31Å; C347-C363 PolarHBondContact N-O 2.88Å; C347-R364 HydrophobicContact CB-CG 4.32Å; C347-R364 CarbonylContact O-C 3.54Å; C347-R364 WeakPolarHBondContact O-CA 3.49Å; C347-V365 PolarHBondContact O-N 2.88Å
348I98.6Very high98.2Very high0 Ų028 Ų280%014%0.143CC..EExtended strand (participates in β ladder)trans-120116.9-178.8-47.1-60.7000110R330 I331 K332 A334 I336 L342 I353 V359 V365R330-I348 PolarHBondContact O-N 2.9Å; I331-I348 VanDerWaalsContact CA-O 3.29Å; I331-I348 WeakPolarHBondContact CA-O 3.42Å; I331-I348 HydrophobicContact CG1-CB 4.41Å; I331-I348 HydrophobicContact CG2-CB 4.19Å; K332-I348 PolarHBondContact N-O 2.68Å; A334-I348 HydrophobicContact CB-CG2 4.09Å; I336-I348 HydrophobicContact CD1-CG2 3.93Å; L342-I348 HydrophobicContact CD1-CG1 4.03Å; L342-I348 HydrophobicContact CD2-CD1 4.23Å; L342-I348 HydrophobicContact CD2-CG1 4.23Å; I348-I353 HydrophobicContact CG2-CD1 4.02Å; I348-I353 HydrophobicContact CG2-CG1 3.93Å; I348-V359 HydrophobicContact CD1-CG1 4.06Å; I348-V359 HydrophobicContact CD1-CG2 4.39Å; I348-V365 CarbonylContact C-O 3.48Å; I348-V365 WeakPolarHBondContact CA-O 3.26Å; I348-V365 HydrophobicContact CD1-CB 3.74Å; I348-V365 HydrophobicContact CD1-CG2 3.64Å
349M97.5Very high98.2Very high20 Ų2026.8 Ų26.810%0.09914%0.136CC..EExtended strand (participates in β ladder)trans-141.5136.9-175.4-48.6172.2-73.300111.7K332 S351 R364 V365 E366 G367K332-M349 HydrophobicContact CG-CB 4.13Å; K332-M349 HydrophobicContact CG-CG 3.93Å; K332-M349 VanDerWaalsContact O-CA 3.28Å; K332-M349 WeakPolarHBondContact O-CA 3.23Å; M349-S351 PolarHBondContact O-N 2.67Å; M349-S351 PolarHBondContact O-OG 2.93Å; M349-R364 HydrophobicContact CE-CG 4.4Å; M349-V365 PolarHBondContact N-O 3.01Å; M349-E366 HydrophobicContact CE-CB 3.84Å; M349-E366 VanDerWaalsContact CE-CD 3.5Å; M349-E366 HydrophobicContact CE-CG 3.71Å; M349-E366 CarbonylContact O-C 3.6Å; M349-E366 VanDerWaalsContact O-CA 3.31Å; M349-E366 WeakPolarHBondContact O-CA 3.45Å; M349-G367 PolarHBondContact O-N 2.74Å
350Y96.8Very high98.2Very high47 Ų4723.4 Ų23.418%0.18412%0.118CC..EExtended strand (participates in β ladder)trans50.548.1178.5-52.6-72.4000111.6K332 E333 G367 P369 V397 S398K332-Y350 PolarHBondContact O-N 3.13Å; E333-Y350 HydrophobicContact CB-CD1 3.48Å; E333-Y350 VanDerWaalsContact CB-CD1 3.48Å; E333-Y350 HydrophobicContact CB-CE1 3.59Å; E333-Y350 HydrophobicContact CB-CG 4.2Å; E333-Y350 HydrophobicContact CG-CD1 3.97Å; E333-Y350 HydrophobicContact CG-CE1 3.51Å; E333-Y350 WeakPolarHBondContact O-CA 3.42Å; E333-Y350 PolarHBondContact O-N 3.45Å; E333-Y350 VanDerWaalsContact O-N 3.08Å; Y350-G367 WeakPolarHBondContact CB-O 3.24Å; Y350-G367 WeakPolarHBondContact CD2-O 3.35Å; Y350-G367 WeakPolarHBondContact O-CA 3.06Å; Y350-G367 PolarHBondContact O-N 2.99Å; Y350-P369 HydrophobicContact CD1-CB 4.03Å; Y350-P369 HydrophobicContact CD1-CG 4.26Å; Y350-P369 HydrophobicContact CD2-CG 4.17Å; Y350-P369 HydrophobicContact CE1-CB 3.63Å; Y350-P369 HydrophobicContact CE1-CG 3.81Å; Y350-P369 HydrophobicContact CE2-CB 4.46Å; Y350-P369 HydrophobicContact CE2-CG 3.71Å; Y350-P369 HydrophobicContact CG-CG 4.42Å; Y350-V397 WeakPolarHBondContact O-CA 3.44Å; Y350-V397 WeakPolarHBondContact O-CG2 3.5Å; Y350-S398 PolarHBondContact O-N 2.87Å; Y350-S398 VanDerWaalsContact O-N 3.16Å
351S97.7Very high98.2Very high0 Ų027.1 Ų27.10%014%0.136CC..EExtended strand (participates in β ladder)trans-142.4147.7-165.4-650000113I267 E333 A334 I335 M349 V365 S398I267-S351 WeakPolarHBondContact CD1-O 3.34Å; E333-S351 PolarHBondContact O-N 3.3Å; A334-S351 WeakPolarHBondContact CA-O 3.16Å; A334-S351 WeakPolarHBondContact CB-O 3.5Å; I335-S351 PolarHBondContact N-O 2.91Å; M349-S351 PolarHBondContact O-N 2.67Å; M349-S351 PolarHBondContact O-OG 2.93Å; S351-V365 PolarHBondContact OG-O 2.87Å; S351-S398 CarbonylContact C-O 3.45Å; S351-S398 WeakPolarHBondContact CA-O 3.44Å; S351-S398 WeakPolarHBondContact OG-CB 3.08Å
352V97.9Very high98.2Very high0 Ų033.1 Ų33.10%016%0.155CC..EExtended strand (participates in β ladder)trans-113.4119.8169.2-176.30000108.7L31 F40 A263 I267 I335 V397 S398 V399 I400L31-V352 HydrophobicContact CD1-CB 4.21Å; L31-V352 HydrophobicContact CD1-CG1 3.82Å; L31-V352 HydrophobicContact CD1-CG2 4.35Å; L31-V352 HydrophobicContact CD2-CB 4.3Å; L31-V352 HydrophobicContact CD2-CG1 3.55Å; L31-V352 HydrophobicContact CG-CG1 4.34Å; F40-V352 HydrophobicContact CE2-CG1 4.25Å; F40-V352 HydrophobicContact CZ-CG1 3.82Å; A263-V352 HydrophobicContact CB-CG2 4.33Å; I267-V352 HydrophobicContact CD1-CG2 3.68Å; I267-V352 HydrophobicContact CG1-CG2 4.19Å; I335-V352 HydrophobicContact CB-CG1 4.32Å; I335-V352 HydrophobicContact CB-CG2 4.39Å; I335-V352 HydrophobicContact CD1-CG2 4.46Å; I335-V352 WeakPolarHBondContact O-CA 3.27Å; V352-V397 HydrophobicContact CG2-CG2 4.4Å; V352-S398 PolarHBondContact N-O 3.28Å; V352-V399 WeakPolarHBondContact O-CA 3.2Å; V352-I400 PolarHBondContact O-N 3.03Å
353I98.2Very high98.2Very high0 Ų033.2 Ų33.20%016%0.155CC..EExtended strand (participates in β ladder)trans-105.7111.4177.5-46.1-49.4000108.1I335 I336 L337 V340 I348 A357 V359 V365 I400I335-I353 PolarHBondContact O-N 3.14Å; I336-I353 HydrophobicContact CD1-CB 4.07Å; I336-I353 HydrophobicContact CD1-CG1 3.56Å; L337-I353 WeakPolarHBondContact CB-O 3.43Å; L337-I353 WeakPolarHBondContact CG-O 3.34Å; L337-I353 PolarHBondContact N-O 3.34Å; V340-I353 HydrophobicContact CB-CG2 4.46Å; V340-I353 HydrophobicContact CG1-CB 4.47Å; V340-I353 HydrophobicContact CG1-CG2 3.7Å; V340-I353 HydrophobicContact CG2-CB 4.46Å; V340-I353 HydrophobicContact CG2-CG2 3.84Å; I348-I353 HydrophobicContact CG2-CD1 4.02Å; I348-I353 HydrophobicContact CG2-CG1 3.93Å; I353-A357 HydrophobicContact CG2-CB 3.87Å; I353-V359 HydrophobicContact CG2-CG2 4.47Å; I353-V365 HydrophobicContact CD1-CG1 4.02Å; I353-I400 HydrophobicContact CD1-CB 4.07Å; I353-I400 HydrophobicContact CD1-CD1 3.75Å; I353-I400 HydrophobicContact CD1-CG1 3.82Å; I353-I400 HydrophobicContact CG2-CB 4.25Å; I353-I400 HydrophobicContact CG2-CG2 4.36Å
354A97.3Very high98.2Very high6 Ų634.7 Ų34.75%0.0516%0.159CC..  trans-78.4170.9-175.100000113.1L31 L337 V340 A357 I400 C402L31-A354 HydrophobicContact CD2-CB 4.07Å; L337-A354 HydrophobicContact CD1-CB 4.24Å; V340-A354 WeakPolarHBondContact CG2-O 3.46Å; A354-A357 VanDerWaalsContact O-CB 3.24Å; A354-A357 WeakPolarHBondContact O-CB 3.33Å; A354-A357 PolarHBondContact O-N 3.14Å; A354-I400 WeakPolarHBondContact CB-O 3.19Å; A354-I400 PolarHBondContact N-O 2.95Å; A354-C402 HydrophobicContact CB-CB 4.47Å
355R97.2Very high98.1Very high41 Ų4132.3 Ų32.316%0.15515%0.146CC..THydrogen-bonded Turntrans-57.4144.7-168.6-62.3-176.8-169.8933.8113.5Y35 L337 D338 A357 C402 N403Y35-R355 VanDerWaalsContact CB-NH1 3.31Å; L337-R355 HydrophobicContact CB-CG 3.79Å; L337-R355 HydrophobicContact CD1-CG 4.27Å; D338-R355 HydrophobicContact CB-CG 4.17Å; D338-R355 WeakPolarHBondContact O-CA 3.47Å; D338-R355 IonicContact OD2-NE 3.03Å; D338-R355 PolarHBondContact OD2-NE 3.38Å; R355-A357 PolarHBondContact O-N 3.45Å; R355-C402 WeakPolarHBondContact O-CA 3.42Å; R355-C402 WeakPolarHBondContact O-CB 3.27Å; R355-N403 PolarHBondContact O-N 2.79Å
356N97.8Very high98.1Very high65 Ų6531.6 Ų31.635%0.34814%0.141SC..THydrogen-bonded Turntrans58.413.6177.9-43.4-37.8000114.4D338 N339 N403D338-N356 PolarHBondContact O-N 2.85Å; N339-N356 VanDerWaalsContact CB-OD1 3.27Å; N339-N356 WeakPolarHBondContact CB-OD1 3.17Å; N339-N356 PolarHBondContact ND2-OD1 2.72Å; N339-N356 VanDerWaalsContact ND2-OD1 3.17Å; N356-N403 WeakPolarHBondContact CB-OD1 3.43Å; N356-N403 PolarHBondContact ND2-OD1 2.88Å
357A98.2Very high97.9Very high0 Ų031.7 Ų31.70%014%0.142CC..  trans-75.6152.5175.700000110.8V340 V341 I353 A354 R355 I400 V404V340-A357 VanDerWaalsContact CA-O 3.3Å; V340-A357 WeakPolarHBondContact CA-O 3.31Å; V340-A357 HydrophobicContact CG2-CB 4.37Å; V341-A357 PolarHBondContact N-O 3.28Å; I353-A357 HydrophobicContact CG2-CB 3.87Å; A354-A357 VanDerWaalsContact O-CB 3.24Å; A354-A357 WeakPolarHBondContact O-CB 3.33Å; A354-A357 PolarHBondContact O-N 3.14Å; R355-A357 PolarHBondContact O-N 3.45Å; A357-I400 HydrophobicContact CB-CG2 3.72Å; A357-V404 CarbonylContact C-O 3.6Å; A357-V404 WeakPolarHBondContact CA-O 3.46Å; A357-V404 WeakPolarHBondContact CB-O 3.35Å
358Q98.7Very high97.5Very high82 Ų8232.7 Ų32.738%0.38315%0.147SC..EExtended strand (participates in β ladder)trans-124.1131.9177-58.5-176.542.500109.2V341 V404 V405 M406V341-Q358 HydrophobicContact CB-CG 4.24Å; V341-Q358 CarbonylContact O-C 3.59Å; V341-Q358 WeakPolarHBondContact O-CA 3.05Å; Q358-V404 PolarHBondContact N-O 2.99Å; Q358-V405 HydrophobicContact CB-CG1 4.46Å; Q358-V405 HydrophobicContact CB-CG2 4.44Å; Q358-M406 PolarHBondContact O-N 2.77Å
359V98.7Very high96.8Very high0 Ų036.4 Ų36.40%017%0.171CC..EExtended strand (participates in β ladder)trans-117.5114176.5179.80000108.6V341 L342 H343 I348 I353 C363 V365 I400 M406V341-V359 PolarHBondContact O-N 3.16Å; L342-V359 HydrophobicContact CD2-CB 3.72Å; L342-V359 HydrophobicContact CD2-CG2 3.68Å; H343-V359 WeakPolarHBondContact CB-O 3.45Å; H343-V359 PolarHBondContact CD2-O 3.11Å; H343-V359 VanDerWaalsContact CD2-O 3.24Å; H343-V359 PolarHBondContact N-O 3.4Å; I348-V359 HydrophobicContact CD1-CG1 4.06Å; I348-V359 HydrophobicContact CD1-CG2 4.39Å; I353-V359 HydrophobicContact CG2-CG2 4.47Å; V359-C363 HydrophobicContact CG1-CB 3.39Å; V359-V365 HydrophobicContact CG1-CG2 4.17Å; V359-I400 HydrophobicContact CG2-CD1 3.88Å; V359-M406 HydrophobicContact CG2-SD 4.43Å
360G98.4Very high95.9Very high2 Ų237 Ų372%0.02118%0.175CC..  trans-61.4174.5-177.400000115.2C363 M406 D408G360-C363 VanDerWaalsContact C-SG 3.57Å; G360-C363 VanDerWaalsContact O-CB 3.27Å; G360-C363 WeakPolarHBondContact O-CB 3.44Å; G360-C363 PolarHBondContact O-N 3.11Å; G360-C363 PolarHBondContact O-SG 2.95Å; G360-M406 WeakPolarHBondContact CA-O 3.4Å; G360-M406 PolarHBondContact N-O 2.93Å; G360-D408 VanDerWaalsContact CA-OD1 3.3Å; G360-D408 WeakPolarHBondContact CA-OD1 3.48Å
361Q98.5Very high94.7Very high79 Ų7936.5 Ų36.537%0.36918%0.183SC..THydrogen-bonded Turntrans-63.4145.7-179.3-59.4176.54700110.4H343 D344 C363 D408 E409H343-Q361 HydrophobicContact CB-CG 3.85Å; D344-Q361 HydrophobicContact CB-CG 4.21Å; D344-Q361 CarbonylContact O-C 3.51Å; D344-Q361 VanDerWaalsContact O-CA 3.26Å; D344-Q361 WeakPolarHBondContact O-CA 3.41Å; Q361-C363 PolarHBondContact O-N 3.16Å; Q361-D408 HydrophobicContact CB-CB 4.34Å; Q361-D408 PolarHBondContact N-OD1 2.93Å; Q361-D408 CarbonylContact O-C 3.55Å; Q361-D408 WeakPolarHBondContact O-CA 3.23Å; Q361-E409 PolarHBondContact O-N 2.87Å
362W98.3Very high93.4Very high160 Ų16038 Ų3861%0.60619%0.193SC*.THydrogen-bonded Turntrans54.916.3178-60.498.5000114.8D344 N345 E409D344-W362 PolarHBondContact O-N 2.8Å; N345-W362 HydrophobicContact CB-CD2 3.7Å; N345-W362 HydrophobicContact CB-CE3 3.7Å; N345-W362 HydrophobicContact CB-CG 4.36Å; N345-W362 HydrophobicContact CB-CH2 3.94Å; N345-W362 HydrophobicContact CB-CZ2 3.94Å; N345-W362 HydrophobicContact CB-CZ3 3.83Å; N345-W362 WeakPolarHBondContact ND2-CZ2 3.48Å; W362-E409 HydrophobicContact CB-CG 4.13Å
363C98.6Very high92.1Very high1 Ų141.4 Ų41.41%0.00721%0.212CC..  trans-71.2151.4176.3-78.10000111.4S346 C347 V359 G360 Q361 M407 V410S346-C363 CarbonylContact C-O 3.58Å; S346-C363 VanDerWaalsContact CA-O 3.24Å; S346-C363 WeakPolarHBondContact CA-O 3.35Å; C347-C363 PolarHBondContact N-O 2.88Å; V359-C363 HydrophobicContact CG1-CB 3.39Å; G360-C363 VanDerWaalsContact C-SG 3.57Å; G360-C363 VanDerWaalsContact O-CB 3.27Å; G360-C363 WeakPolarHBondContact O-CB 3.44Å; G360-C363 PolarHBondContact O-N 3.11Å; G360-C363 PolarHBondContact O-SG 2.95Å; Q361-C363 PolarHBondContact O-N 3.16Å; C363-M407 PolarHBondContact SG-O 2.9Å; C363-V410 VanDerWaalsContact CA-O 3.28Å; C363-V410 WeakPolarHBondContact CA-O 3.37Å; C363-V410 WeakPolarHBondContact CB-O 3.48Å
364R98.4Very high90.6Very high87 Ų8747.3 Ų47.333%0.32825%0.25SS..EExtended strand (participates in β ladder)trans-128.7115172-178.7-179.7179.499.6-7.3110.6C347 M349 E366 V410 M411 L412C347-R364 HydrophobicContact CB-CG 4.32Å; C347-R364 CarbonylContact O-C 3.54Å; C347-R364 WeakPolarHBondContact O-CA 3.49Å; M349-R364 HydrophobicContact CE-CG 4.4Å; R364-E366 HydrophobicContact CG-CB 4.44Å; R364-E366 IonicContact CZ-OE2 3.12Å; R364-E366 IonicContact NE-OE2 2.77Å; R364-E366 PolarHBondContact NE-OE2 2.85Å; R364-E366 IonicContact NH2-OE1 3.02Å; R364-E366 PolarHBondContact NH2-OE1 2.83Å; R364-E366 IonicContact NH2-OE2 2.71Å; R364-E366 PolarHBondContact NH2-OE2 2.87Å; R364-V410 PolarHBondContact N-O 2.87Å; R364-M411 HydrophobicContact CB-CG 4.19Å; R364-M411 CarbonylContact O-C 3.53Å; R364-M411 WeakPolarHBondContact O-CA 3.3Å; R364-L412 PolarHBondContact O-N 2.85Å
365V98.4Very high89.3Confident0 Ų053.8 Ų53.80%028%0.284CS..EExtended strand (participates in β ladder)trans-110.8111174.9-170.50000108.2C347 I348 M349 S351 I353 V359 I400 M406 L412C347-V365 PolarHBondContact O-N 2.88Å; I348-V365 CarbonylContact C-O 3.48Å; I348-V365 WeakPolarHBondContact CA-O 3.26Å; I348-V365 HydrophobicContact CD1-CB 3.74Å; I348-V365 HydrophobicContact CD1-CG2 3.64Å; M349-V365 PolarHBondContact N-O 3.01Å; S351-V365 PolarHBondContact OG-O 2.87Å; I353-V365 HydrophobicContact CD1-CG1 4.02Å; V359-V365 HydrophobicContact CG1-CG2 4.17Å; V365-I400 HydrophobicContact CG1-CD1 4.08Å; V365-I400 HydrophobicContact CG1-CG1 4.29Å; V365-I400 HydrophobicContact CG2-CD1 3.84Å; V365-M406 HydrophobicContact CG2-CE 4.15Å; V365-M406 HydrophobicContact CG2-SD 3.8Å; V365-L412 WeakPolarHBondContact CA-O 3.27Å; V365-L412 HydrophobicContact CG1-CB 4.37Å; V365-L412 HydrophobicContact CG1-CD2 4.12Å
366E97.4Very high88Confident41 Ų4155.6 Ų55.619%0.19230%0.296CS..EExtended strand (participates in β ladder)trans-135.6125.7-171.5-177.9173.1-152.900111.5M349 R364 S398 L412 M413 N414M349-E366 HydrophobicContact CE-CB 3.84Å; M349-E366 VanDerWaalsContact CE-CD 3.5Å; M349-E366 HydrophobicContact CE-CG 3.71Å; M349-E366 CarbonylContact O-C 3.6Å; M349-E366 VanDerWaalsContact O-CA 3.31Å; M349-E366 WeakPolarHBondContact O-CA 3.45Å; R364-E366 HydrophobicContact CG-CB 4.44Å; R364-E366 IonicContact CZ-OE2 3.12Å; R364-E366 IonicContact NE-OE2 2.77Å; R364-E366 PolarHBondContact NE-OE2 2.85Å; R364-E366 IonicContact NH2-OE1 3.02Å; R364-E366 PolarHBondContact NH2-OE1 2.83Å; R364-E366 IonicContact NH2-OE2 2.71Å; R364-E366 PolarHBondContact NH2-OE2 2.87Å; E366-S398 VanDerWaalsContact C-OG 3.3Å; E366-S398 PolarHBondContact O-OG 2.84Å; E366-L412 PolarHBondContact N-O 2.75Å; E366-M413 CarbonylContact O-C 3.48Å; E366-M413 VanDerWaalsContact O-CA 3.26Å; E366-M413 WeakPolarHBondContact O-CA 2.9Å; E366-N414 PolarHBondContact O-N 3.22Å
367G94.4Very high86.4Confident2 Ų257 Ų572%0.02131%0.309CS..  trans-99.9174.9166.200000112.8M349 Y350 S396 N414M349-G367 PolarHBondContact O-N 2.74Å; Y350-G367 WeakPolarHBondContact CB-O 3.24Å; Y350-G367 WeakPolarHBondContact CD2-O 3.35Å; Y350-G367 WeakPolarHBondContact O-CA 3.06Å; Y350-G367 PolarHBondContact O-N 2.99Å; G367-S396 CarbonylContact C-O 3.48Å; G367-S396 VanDerWaalsContact CA-O 3.3Å; G367-S396 WeakPolarHBondContact CA-O 3.44Å; G367-N414 VanDerWaalsContact C-OD1 3.27Å; G367-N414 WeakPolarHBondContact CA-OD1 3.48Å
368T90.5Very high84.9Confident54 Ų5461 Ų6133%0.33133%0.326SS..  trans-88.1130.1171.4-59.40000109D370 S396 N414T368-D370 PolarHBondContact O-N 2.88Å; T368-S396 PolarHBondContact N-O 2.94Å; T368-N414 PolarHBondContact N-OD1 3.01Å; T368-N414 VanDerWaalsContact OG1-CG 3.31Å; T368-N414 PolarHBondContact OG1-ND2 3.29Å; T368-N414 PolarHBondContact OG1-OD1 2.86Å
369P84Confident83.3Confident78 Ų7857.7 Ų57.751%0.50631%0.312SS..  trans-53.5129.4173.2-12.416.1000110.6Y350Y350-P369 HydrophobicContact CD1-CB 4.03Å; Y350-P369 HydrophobicContact CD1-CG 4.26Å; Y350-P369 HydrophobicContact CD2-CG 4.17Å; Y350-P369 HydrophobicContact CE1-CB 3.63Å; Y350-P369 HydrophobicContact CE1-CG 3.81Å; Y350-P369 HydrophobicContact CE2-CB 4.46Å; Y350-P369 HydrophobicContact CE2-CG 3.71Å; Y350-P369 HydrophobicContact CG-CG 4.42Å
370D77.5Confident82.1Confident33 Ų3358.7 Ų58.718%0.17632%0.317CS..  trans-128.1130.7177.9-162.218.4000108.7S264 T368 L381S264-D370 VanDerWaalsContact CB-OD2 3.26Å; S264-D370 WeakPolarHBondContact CB-OD2 3.42Å; S264-D370 PolarHBondContact OG-OD2 2.7Å; T368-D370 PolarHBondContact O-N 2.88Å; D370-L381 HydrophobicContact CB-CD1 4.3Å
371G72.6Confident80.9Confident35 Ų3559.9 Ų59.936%0.36132%0.323SS..  trans-174.2157.8-173.100000111.8
372P71Confident79.5Confident31 Ų3162 Ų6220%0.20133%0.332CS..  trans-60.4146.8174.125.5-32.4000111Y268 P374 A379Y268-P372 HydrophobicContact CE2-CG 3.72Å; P372-P374 WeakPolarHBondContact O-CD 3.13Å; P372-P374 VanDerWaalsContact O-N 3.16Å; P372-A379 HydrophobicContact CB-CB 3.65Å; P372-A379 WeakPolarHBondContact CB-O 3.3Å
373N70.3Confident78.1Confident73 Ų7358.2 Ų58.239%0.3933%0.331SS..  trans-61.8116.4177-175.8-21.2000109.8N375 I376N373-N375 PolarHBondContact O-N 2.66Å; N373-N375 VanDerWaalsContact O-N 3.11Å; N373-N375 WeakPolarHBondContact OD1-CB 3.05Å; N373-N375 PolarHBondContact OD1-N 2.66Å; N373-I376 HydrophobicContact CB-CB 4.41Å; N373-I376 HydrophobicContact CB-CD1 3.99Å; N373-I376 HydrophobicContact CB-CG1 4.13Å; N373-I376 PolarHBondContact O-N 3.28Å
374P66.5Low76.9Confident124 Ų12463.5 Ų63.581%0.80535%0.354SS*.THydrogen-bonded Turntrans-66-17.4-174.527.6-35.7000113.3P372 I376P372-P374 WeakPolarHBondContact O-CD 3.13Å; P372-P374 VanDerWaalsContact O-N 3.16Å; P374-I376 VanDerWaalsContact C-N 3.32Å
375N70.6Confident75.8Confident142 Ų14263.7 Ų63.776%0.75937%0.366SS*.THydrogen-bonded Turntrans-84.5-6.5178.2-61.1-40.9000113.2N373N373-N375 PolarHBondContact O-N 2.66Å; N373-N375 VanDerWaalsContact O-N 3.11Å; N373-N375 WeakPolarHBondContact OD1-CB 3.05Å; N373-N375 PolarHBondContact OD1-N 2.66Å
376I68.6Low74.7Confident79 Ų7967.7 Ų67.741%0.40539%0.387SS..SBendtrans-112.7110.1-177.9-57.5178.3000108.7T159 N373 P374 F378 A379T159-I376 HydrophobicContact CG2-CG2 3.56Å; N373-I376 HydrophobicContact CB-CB 4.41Å; N373-I376 HydrophobicContact CB-CD1 3.99Å; N373-I376 HydrophobicContact CB-CG1 4.13Å; N373-I376 PolarHBondContact O-N 3.28Å; P374-I376 VanDerWaalsContact C-N 3.32Å; I376-F378 PolarHBondContact O-N 2.97Å; I376-A379 HydrophobicContact CB-CB 3.96Å; I376-A379 HydrophobicContact CG2-CB 4.13Å; I376-A379 VanDerWaalsContact O-CB 3.25Å; I376-A379 WeakPolarHBondContact O-CB 3.26Å; I376-A379 PolarHBondContact O-N 3.46Å; I376-A379 VanDerWaalsContact O-N 3.15Å
377P63.9Low73.8Confident95 Ų9570.3 Ų70.362%0.61740%0.398SS*.THydrogen-bonded Turntrans-55.8136.5175.4-25.534.4000111.4A379P377-A379 PolarHBondContact O-N 3.36Å
378F67.8Low73.1Confident83 Ų8373.3 Ų73.336%0.36441%0.413SS..THydrogen-bonded Turntrans66.77.7179.9-40.9-76.3000115.7K157 D254 I376 K380K157-F378 HydrophobicContact CB-CD1 3.97Å; K157-F378 HydrophobicContact CB-CE1 4.42Å; K157-F378 HydrophobicContact CB-CG 4.16Å; K157-F378 HydrophobicContact CD-CD1 4.07Å; K157-F378 HydrophobicContact CD-CD2 3.91Å; K157-F378 HydrophobicContact CD-CE1 3.91Å; K157-F378 HydrophobicContact CD-CE2 3.77Å; K157-F378 HydrophobicContact CD-CG 4.08Å; K157-F378 HydrophobicContact CD-CZ 3.77Å; K157-F378 HydrophobicContact CG-CD1 4.22Å; K157-F378 HydrophobicContact CG-CD2 4.15Å; K157-F378 HydrophobicContact CG-CG 4.02Å; D254-F378 HydrophobicContact CB-CE1 4.43Å; I376-F378 PolarHBondContact O-N 2.97Å; F378-K380 PolarHBondContact O-N 2.86Å
379A65.5Low72.6Confident12 Ų1277.6 Ų77.610%0.09944%0.442CS..  trans-52.713417300000110.9T159 E162 P372 I376 P377T159-A379 HydrophobicContact CG2-CB 4.15Å; E162-A379 WeakPolarHBondContact OE1-CA 3.14Å; P372-A379 HydrophobicContact CB-CB 3.65Å; P372-A379 WeakPolarHBondContact CB-O 3.3Å; I376-A379 HydrophobicContact CB-CB 3.96Å; I376-A379 HydrophobicContact CG2-CB 4.13Å; I376-A379 VanDerWaalsContact O-CB 3.25Å; I376-A379 WeakPolarHBondContact O-CB 3.26Å; I376-A379 PolarHBondContact O-N 3.46Å; I376-A379 VanDerWaalsContact O-N 3.15Å; P377-A379 PolarHBondContact O-N 3.36Å
380K73Confident72.6Confident21 Ų2179.1 Ų79.19%0.09145%0.45CS..  trans-107.5168.4174.4-56.6-56.8-179.5177.30108.9E162 W257 F378 E382E162-K380 HydrophobicContact CG-CB 4.38Å; E162-K380 PolarHBondContact OE1-N 2.85Å; E162-K380 WeakPolarHBondContact OE2-CB 3.37Å; E162-K380 WeakPolarHBondContact OE2-CG 3.31Å; E162-K380 PolarHBondContact OE2-N 2.72Å; E162-K380 VanDerWaalsContact OE2-N 3.09Å; W257-K380 HydrophobicContact CE3-CD 4.48Å; W257-K380 PolarHBondContact O-NZ 3.24Å; F378-K380 PolarHBondContact O-N 2.86Å; K380-E382 PolarHBondContact O-N 2.89Å
381L73.9Confident72.7Confident28 Ų2880 Ų8015%0.14747%0.467CS..  trans-63.1125.6177.6-165.174.9000109.5A265 D370 S383A265-L381 HydrophobicContact CB-CD2 3.82Å; D370-L381 HydrophobicContact CB-CD1 4.3Å; L381-S383 PolarHBondContact O-N 2.84Å
382E69.3Low73Confident122 Ų12284.8 Ų84.857%0.5748%0.478SS*.  trans-67.6130.1175.5-72.6-177.6175.200110.6K380 K384K380-E382 PolarHBondContact O-N 2.89Å; E382-K384 VanDerWaalsContact C-N 3.35Å; E382-K384 HydrophobicContact CB-CG 4.46Å; E382-K384 PolarHBondContact O-N 3.28Å; E382-K384 WeakPolarHBondContact OE2-CE 3.38Å
383S67.3Low73.4Confident82 Ų8283.5 Ų83.557%0.57347%0.469SS*.  trans-82.380.9173.460.80000110.7L381L381-S383 PolarHBondContact O-N 2.84Å
384K73.4Confident73.7Confident112 Ų11280.7 Ų80.749%0.48746%0.455SS..  trans-68.7148.3174.6-68174.2-176.3161.90111.3E382 T394E382-K384 VanDerWaalsContact C-N 3.35Å; E382-K384 HydrophobicContact CB-CG 4.46Å; E382-K384 PolarHBondContact O-N 3.28Å; E382-K384 WeakPolarHBondContact OE2-CE 3.38Å; K384-T394 HydrophobicContact CB-CG2 4.43Å
385P75.4Confident74.2Confident91 Ų9177.2 Ų77.259%0.59143%0.432SS*.  trans-63.3145.7172.928-34.1000110.2F387 T394P385-F387 VanDerWaalsContact C-N 3.26Å; P385-F387 PolarHBondContact O-N 3.29Å; P385-T394 VanDerWaalsContact O-CB 3.27Å; P385-T394 WeakPolarHBondContact O-CB 3.4Å; P385-T394 PolarHBondContact O-OG1 3.45Å
386L75.6Confident74.8Confident83 Ų8371.5 Ų71.544%0.43540%0.404SS..SBendtrans-66.1-32.4-178.6-174.161.7000112.2L393 T394 I416L386-L393 HydrophobicContact CD1-CD2 3.88Å; L386-L393 HydrophobicContact CG-CD2 3.88Å; L386-L393 WeakPolarHBondContact O-CD2 3.3Å; L386-T394 PolarHBondContact O-N 2.85Å; L386-I416 HydrophobicContact CD1-CD1 4.25Å
387F78.7Confident75.8Confident97 Ų9768.1 Ų68.143%0.42539%0.387SS..BIsolated β-bridgetrans-115.9140.7178.4-58.7-78.8000110.6P385 G391 K392 L393 I431P385-F387 VanDerWaalsContact C-N 3.26Å; P385-F387 PolarHBondContact O-N 3.29Å; F387-G391 WeakPolarHBondContact CD1-O 3.4Å; F387-K392 CarbonylContact C-O 3.54Å; F387-K392 WeakPolarHBondContact CA-O 3.41Å; F387-L393 HydrophobicContact CD1-CD2 4.14Å; F387-L393 HydrophobicContact CE1-CD2 3.86Å; F387-L393 HydrophobicContact CE1-CG 4.48Å; F387-L393 HydrophobicContact CZ-CD2 4.47Å; F387-I431 HydrophobicContact CE1-CD1 3.69Å; F387-I431 HydrophobicContact CE1-CG1 4.43Å; F387-I431 HydrophobicContact CZ-CD1 3.49Å; F387-I431 VanDerWaalsContact CZ-CD1 3.49Å
388L79.8Confident77.3Confident65 Ų6563.6 Ų63.634%0.3436%0.357SS..  trans-69.7160.5165.9-63.9174.4000109.5T390 G391 K392 T394L388-T390 WeakPolarHBondContact CB-OG1 3.41Å; L388-T390 PolarHBondContact O-N 3.02Å; L388-G391 PolarHBondContact O-N 2.7Å; L388-K392 PolarHBondContact N-O 3.04Å; L388-T394 HydrophobicContact CD2-CG2 4.22Å
389P80.5Confident78.7Confident144 Ų14459.8 Ų59.894%0.93534%0.341SS*.THydrogen-bonded Turntrans-54.5-20.3171.2-26.635.4000114.1G391P389-G391 VanDerWaalsContact C-N 3.25Å; P389-G391 PolarHBondContact O-N 3.1Å
390T83.2Confident80.2Confident109 Ų10959.2 Ų59.267%0.66934%0.336SS*.THydrogen-bonded Turntrans-78.1-2.8175.2600000114.1L388 K392L388-T390 WeakPolarHBondContact CB-OG1 3.41Å; L388-T390 PolarHBondContact O-N 3.02Å; T390-K392 PolarHBondContact O-N 2.73Å
391G79.1Confident81.3Confident53 Ų5358.3 Ų58.355%0.54633%0.332SS..SBendtrans80.8-9-176.700000114.9F387 L388 P389F387-G391 WeakPolarHBondContact CD1-O 3.4Å; L388-G391 PolarHBondContact O-N 2.7Å; P389-G391 VanDerWaalsContact C-N 3.25Å; P389-G391 PolarHBondContact O-N 3.1Å
392K79Confident82.3Confident135 Ų13557.8 Ų57.859%0.58733%0.331SS*.SBendtrans-76.3156.6173.7-66.4-171.5178.6-177.60111.2F387 L388 T390 T394F387-K392 CarbonylContact C-O 3.54Å; F387-K392 WeakPolarHBondContact CA-O 3.41Å; L388-K392 PolarHBondContact N-O 3.04Å; T390-K392 PolarHBondContact O-N 2.73Å; K392-T394 PolarHBondContact O-N 3.07Å
393L79.6Confident83.7Confident3 Ų354.7 Ų54.72%0.01632%0.318CS..BIsolated β-bridgetrans-59.6137.1170.9-79.6179.2000110.6L386 F387 P395 I416 N429 Q430 I431L386-L393 HydrophobicContact CD1-CD2 3.88Å; L386-L393 HydrophobicContact CG-CD2 3.88Å; L386-L393 WeakPolarHBondContact O-CD2 3.3Å; F387-L393 HydrophobicContact CD1-CD2 4.14Å; F387-L393 HydrophobicContact CE1-CD2 3.86Å; F387-L393 HydrophobicContact CE1-CG 4.48Å; F387-L393 HydrophobicContact CZ-CD2 4.47Å; L393-P395 WeakPolarHBondContact O-CD 3.45Å; L393-I416 HydrophobicContact CD1-CD1 4.47Å; L393-I416 HydrophobicContact CD1-CG1 4.28Å; L393-N429 PolarHBondContact N-O 2.99Å; L393-Q430 WeakPolarHBondContact CD1-O 3.47Å; L393-I431 HydrophobicContact CD1-CG1 3.64Å; L393-I431 HydrophobicContact CD2-CD1 3.87Å; L393-I431 HydrophobicContact CD2-CG1 3.64Å; L393-I431 HydrophobicContact CG-CD1 4.45Å; L393-I431 HydrophobicContact CG-CG1 3.73Å
394T76.9Confident85.1Confident15 Ų1550.8 Ų50.89%0.09229%0.291CS..PPolyproline II helixtrans-63.6124166.1-58.80000108.4K384 P385 L386 L388 K392 S396K384-T394 HydrophobicContact CB-CG2 4.43Å; P385-T394 VanDerWaalsContact O-CB 3.27Å; P385-T394 WeakPolarHBondContact O-CB 3.4Å; P385-T394 PolarHBondContact O-OG1 3.45Å; L386-T394 PolarHBondContact O-N 2.85Å; L388-T394 HydrophobicContact CD2-CG2 4.22Å; K392-T394 PolarHBondContact O-N 3.07Å; T394-S396 PolarHBondContact O-N 2.75Å; T394-S396 VanDerWaalsContact O-N 3.11Å; T394-S396 PolarHBondContact O-OG 3.46Å
395P76.9Confident86.3Confident51 Ų5147.5 Ų47.533%0.33128%0.28SS..SBendtrans-50.8120.7177-29.636.5000111.4L393 N414L393-P395 WeakPolarHBondContact O-CD 3.45Å; P395-N414 HydrophobicContact CB-CB 4.38Å
396S83.7Confident87.4Confident22 Ų2243.3 Ų43.315%0.15425%0.253CS..  trans-157-163.5-174.758.90000109.6G367 T368 T394 N414G367-S396 CarbonylContact C-O 3.48Å; G367-S396 VanDerWaalsContact CA-O 3.3Å; G367-S396 WeakPolarHBondContact CA-O 3.44Å; T368-S396 PolarHBondContact N-O 2.94Å; T394-S396 PolarHBondContact O-N 2.75Å; T394-S396 VanDerWaalsContact O-N 3.11Å; T394-S396 PolarHBondContact O-OG 3.46Å; S396-N414 PolarHBondContact O-OD1 2.97Å
397V89.2Confident88.5Confident8 Ų842.9 Ų42.95%0.04825%0.249CC..  trans-51.2144.4175.170.40000112.1A263 I267 Y350 V352 V399A263-V397 HydrophobicContact CB-CG1 3.5Å; I267-V397 HydrophobicContact CG1-CG2 3.75Å; Y350-V397 WeakPolarHBondContact O-CA 3.44Å; Y350-V397 WeakPolarHBondContact O-CG2 3.5Å; V352-V397 HydrophobicContact CG2-CG2 4.4Å; V397-V399 HydrophobicContact CG1-CG2 4.02Å
398S95.8Very high89.4Confident0 Ų042.3 Ų42.30%025%0.251CS..EExtended strand (participates in β ladder)trans-88.5136.8168.4-790000110.6Y350 S351 V352 E366 N414 S415Y350-S398 PolarHBondContact O-N 2.87Å; Y350-S398 VanDerWaalsContact O-N 3.16Å; S351-S398 CarbonylContact C-O 3.45Å; S351-S398 WeakPolarHBondContact CA-O 3.44Å; S351-S398 WeakPolarHBondContact OG-CB 3.08Å; V352-S398 PolarHBondContact N-O 3.28Å; E366-S398 VanDerWaalsContact C-OG 3.3Å; E366-S398 PolarHBondContact O-OG 2.84Å; S398-N414 WeakPolarHBondContact OG-CA 3.24Å; S398-N414 PolarHBondContact OG-N 2.83Å; S398-S415 CarbonylContact C-O 3.56Å; S398-S415 WeakPolarHBondContact CA-O 3.39Å; S398-S415 PolarHBondContact OG-N 2.9Å
399V96Very high90.3Very high3 Ų346.4 Ų46.42%0.01827%0.268CS..EExtended strand (participates in β ladder)trans-127.2123.1-178.1-179.20000109.8P30 L31 A263 V352 V397 S415 I416 V417P30-V399 HydrophobicContact CG-CG1 4.01Å; L31-V399 HydrophobicContact CD1-CG1 4.46Å; L31-V399 HydrophobicContact CD2-CG1 3.68Å; L31-V399 HydrophobicContact CG-CG1 3.98Å; A263-V399 HydrophobicContact CB-CG2 3.55Å; V352-V399 WeakPolarHBondContact O-CA 3.2Å; V397-V399 HydrophobicContact CG1-CG2 4.02Å; V399-S415 PolarHBondContact N-O 2.94Å; V399-I416 HydrophobicContact CB-CG1 4.28Å; V399-I416 HydrophobicContact CB-CG2 4.31Å; V399-I416 HydrophobicContact CG2-CG1 4.41Å; V399-V417 PolarHBondContact O-N 3.02Å
400I97.1Very high91.1Very high0 Ų039.9 Ų39.90%023%0.225CC..EExtended strand (participates in β ladder)trans-101.4122.6169.6-63.1-168.9000108.3V352 I353 A354 A357 V359 V365 V404 M406 L412V352-I400 PolarHBondContact O-N 3.03Å; I353-I400 HydrophobicContact CD1-CB 4.07Å; I353-I400 HydrophobicContact CD1-CD1 3.75Å; I353-I400 HydrophobicContact CD1-CG1 3.82Å; I353-I400 HydrophobicContact CG2-CB 4.25Å; I353-I400 HydrophobicContact CG2-CG2 4.36Å; A354-I400 WeakPolarHBondContact CB-O 3.19Å; A354-I400 PolarHBondContact N-O 2.95Å; A357-I400 HydrophobicContact CB-CG2 3.72Å; V359-I400 HydrophobicContact CG2-CD1 3.88Å; V365-I400 HydrophobicContact CG1-CD1 4.08Å; V365-I400 HydrophobicContact CG1-CG1 4.29Å; V365-I400 HydrophobicContact CG2-CD1 3.84Å; I400-V404 HydrophobicContact CG2-CB 3.58Å; I400-V404 HydrophobicContact CG2-CG1 3.72Å; I400-V404 HydrophobicContact CG2-CG2 4.21Å; I400-M406 HydrophobicContact CD1-CG 4.25Å; I400-M406 HydrophobicContact CD1-SD 3.27Å; I400-M406 WeakPolarHBondContact CD1-SD 3.28Å; I400-M406 HydrophobicContact CG1-SD 4.4Å; I400-L412 HydrophobicContact CD1-CD2 4.15Å; I400-L412 HydrophobicContact CG1-CD2 3.74Å
401G96Very high91.8Very high1 Ų138 Ų381%0.0121%0.21CC..PPolyproline II helixtrans-69.1169.5177.200000113.6V404 V417G401-V404 WeakPolarHBondContact O-CB 3.49Å; G401-V404 VanDerWaalsContact O-CG2 3.3Å; G401-V404 WeakPolarHBondContact O-CG2 3.31Å; G401-V417 WeakPolarHBondContact CA-O 3.3Å; G401-V417 PolarHBondContact N-O 3.14Å
402C96.1Very high92.6Very high18 Ų1835.4 Ų35.412%0.12218%0.184CC..THydrogen-bonded Turntrans-66145.7-179.852.30000111.3D34 A354 R355 V404 P419 H420D34-C402 PolarHBondContact OD2-SG 3Å; A354-C402 HydrophobicContact CB-CB 4.47Å; R355-C402 WeakPolarHBondContact O-CA 3.42Å; R355-C402 WeakPolarHBondContact O-CB 3.27Å; C402-V404 PolarHBondContact O-N 3.03Å; C402-V404 VanDerWaalsContact O-N 3.11Å; C402-P419 VanDerWaalsContact O-CA 3.25Å; C402-P419 WeakPolarHBondContact O-CA 3.34Å; C402-P419 WeakPolarHBondContact SG-CB 3.33Å; C402-P419 WeakPolarHBondContact SG-CG 3.42Å; C402-H420 PolarHBondContact O-N 2.99Å
403N97.4Very high93.4Very high57 Ų5730.7 Ų30.731%0.30516%0.164SC..THydrogen-bonded Turntrans54.827.1-179.9-45.9-69.1000113.9R355 N356 H420R355-N403 PolarHBondContact O-N 2.79Å; N356-N403 WeakPolarHBondContact CB-OD1 3.43Å; N356-N403 PolarHBondContact ND2-OD1 2.88Å; N403-H420 PolarHBondContact ND2-CE1 3.04Å
404V98Very high94.1Very high0 Ų031 Ų310%017%0.166CC..  trans-82.4137.4171.7170.20000109.1A357 Q358 I400 G401 C402 V417 L418 K421 L423A357-V404 CarbonylContact C-O 3.6Å; A357-V404 WeakPolarHBondContact CA-O 3.46Å; A357-V404 WeakPolarHBondContact CB-O 3.35Å; Q358-V404 PolarHBondContact N-O 2.99Å; I400-V404 HydrophobicContact CG2-CB 3.58Å; I400-V404 HydrophobicContact CG2-CG1 3.72Å; I400-V404 HydrophobicContact CG2-CG2 4.21Å; G401-V404 WeakPolarHBondContact O-CB 3.49Å; G401-V404 VanDerWaalsContact O-CG2 3.3Å; G401-V404 WeakPolarHBondContact O-CG2 3.31Å; C402-V404 PolarHBondContact O-N 3.03Å; C402-V404 VanDerWaalsContact O-N 3.11Å; V404-V417 HydrophobicContact CG1-CG1 3.88Å; V404-V417 HydrophobicContact CG2-CB 4.46Å; V404-V417 HydrophobicContact CG2-CG1 3.81Å; V404-L418 WeakPolarHBondContact CG2-O 3.44Å; V404-K421 CarbonylContact C-O 3.59Å; V404-K421 VanDerWaalsContact CA-O 3.28Å; V404-K421 WeakPolarHBondContact CA-O 3.4Å; V404-K421 HydrophobicContact CG2-CB 4.26Å; V404-L423 HydrophobicContact CG1-CD1 4.47Å; V404-L423 HydrophobicContact CG1-CG 4.37Å
405V98.5Very high94.9Very high43 Ų4330.3 Ų30.326%0.26116%0.162SC..EExtended strand (participates in β ladder)trans-114.1118.5173.7-179.90000108.5Q358 M407 K421 E422 L423Q358-V405 HydrophobicContact CB-CG1 4.46Å; Q358-V405 HydrophobicContact CB-CG2 4.44Å; V405-M407 HydrophobicContact CG1-CE 4.18Å; V405-K421 PolarHBondContact N-O 2.71Å; V405-E422 CarbonylContact O-C 3.59Å; V405-E422 VanDerWaalsContact O-CA 3.31Å; V405-E422 WeakPolarHBondContact O-CA 3.26Å; V405-L423 PolarHBondContact O-N 2.91Å
406M98.2Very high95.8Very high3 Ų329 Ų292%0.01515%0.151CC..EExtended strand (participates in β ladder)trans-96.3126.3167-67-176.863.700109.4Q358 V359 G360 V365 I400 V410 L412 L423Q358-M406 PolarHBondContact O-N 2.77Å; V359-M406 HydrophobicContact CG2-SD 4.43Å; G360-M406 WeakPolarHBondContact CA-O 3.4Å; G360-M406 PolarHBondContact N-O 2.93Å; V365-M406 HydrophobicContact CG2-CE 4.15Å; V365-M406 HydrophobicContact CG2-SD 3.8Å; I400-M406 HydrophobicContact CD1-CG 4.25Å; I400-M406 HydrophobicContact CD1-SD 3.27Å; I400-M406 WeakPolarHBondContact CD1-SD 3.28Å; I400-M406 HydrophobicContact CG1-SD 4.4Å; M406-V410 HydrophobicContact CE-CB 3.8Å; M406-V410 HydrophobicContact CE-CG1 3.43Å; M406-V410 VanDerWaalsContact CE-CG1 3.43Å; M406-L412 HydrophobicContact CE-CB 3.84Å; M406-L412 HydrophobicContact SD-CB 4.41Å; M406-L412 HydrophobicContact SD-CD2 4.4Å; M406-L423 HydrophobicContact CG-CB 4.11Å; M406-L423 HydrophobicContact CG-CD1 3.88Å; M406-L423 HydrophobicContact CG-CG 4.29Å; M406-L423 HydrophobicContact SD-CD1 4.4Å
407M98.1Very high96.3Very high73 Ų7327.9 Ų27.936%0.3614%0.144SC..PPolyproline II helixtrans-69.6165.1172-64.3-59.3167.700111.3C363 V405 V410 E422 L423C363-M407 PolarHBondContact SG-O 2.9Å; V405-M407 HydrophobicContact CG1-CE 4.18Å; M407-V410 HydrophobicContact CB-CG2 4.31Å; M407-V410 WeakPolarHBondContact O-CB 3.28Å; M407-V410 VanDerWaalsContact O-CG2 3.23Å; M407-V410 WeakPolarHBondContact O-CG2 3.45Å; M407-E422 HydrophobicContact CE-CG 3.56Å; M407-E422 WeakPolarHBondContact CE-OE1 3.35Å; M407-L423 WeakPolarHBondContact CB-O 3.29Å; M407-L423 PolarHBondContact N-O 2.58Å
408D98.3Very high96.6Very high85 Ų8529.6 Ų29.646%0.45515%0.152SC..THydrogen-bonded Turntrans-57.3149.8-179.7-61.3-18.4000112.1G360 Q361 V410G360-D408 VanDerWaalsContact CA-OD1 3.3Å; G360-D408 WeakPolarHBondContact CA-OD1 3.48Å; Q361-D408 HydrophobicContact CB-CB 4.34Å; Q361-D408 PolarHBondContact N-OD1 2.93Å; Q361-D408 CarbonylContact O-C 3.55Å; Q361-D408 WeakPolarHBondContact O-CA 3.23Å; D408-V410 PolarHBondContact O-N 2.76Å; D408-V410 VanDerWaalsContact O-N 3.14Å
409E97.9Very high96.6Very high152 Ų15230.4 Ų30.471%0.7116%0.158SC*.THydrogen-bonded Turntrans61.419.2176.1-54.8-178.1171.700115Q361 W362Q361-E409 PolarHBondContact O-N 2.87Å; W362-E409 HydrophobicContact CB-CG 4.13Å
410V97.9Very high96.7Very high6 Ų636.5 Ų36.54%0.03619%0.186CC..  trans-86.8133.6177.5178.90000112C363 R364 M406 M407 D408 S425C363-V410 VanDerWaalsContact CA-O 3.28Å; C363-V410 WeakPolarHBondContact CA-O 3.37Å; C363-V410 WeakPolarHBondContact CB-O 3.48Å; R364-V410 PolarHBondContact N-O 2.87Å; M406-V410 HydrophobicContact CE-CB 3.8Å; M406-V410 HydrophobicContact CE-CG1 3.43Å; M406-V410 VanDerWaalsContact CE-CG1 3.43Å; M407-V410 HydrophobicContact CB-CG2 4.31Å; M407-V410 WeakPolarHBondContact O-CB 3.28Å; M407-V410 VanDerWaalsContact O-CG2 3.23Å; M407-V410 WeakPolarHBondContact O-CG2 3.45Å; D408-V410 PolarHBondContact O-N 2.76Å; D408-V410 VanDerWaalsContact O-N 3.14Å; V410-S425 WeakPolarHBondContact CG1-O 3.41Å
411M97.3Very high96.6Very high69 Ų6939.6 Ų39.634%0.3420%0.199SC..EExtended strand (participates in β ladder)trans-104.1126.6173-165.8-168.3-156.200111.3R364 M413 S426 Y427R364-M411 HydrophobicContact CB-CG 4.19Å; R364-M411 CarbonylContact O-C 3.53Å; R364-M411 WeakPolarHBondContact O-CA 3.3Å; M411-M413 HydrophobicContact CE-CG 3.8Å; M411-M413 HydrophobicContact CE-SD 3.34Å; M411-M413 WeakPolarHBondContact CE-SD 3.34Å; M411-M413 HydrophobicContact CG-CG 4.09Å; M411-M413 HydrophobicContact SD-CG 4.03Å; M411-M413 HydrophobicContact SD-SD 3.79Å; M411-S426 WeakPolarHBondContact CB-OG 3.24Å; M411-S426 PolarHBondContact N-OG 2.86Å; M411-S426 CarbonylContact O-C 3.58Å; M411-S426 WeakPolarHBondContact O-CA 3.42Å; M411-S426 VanDerWaalsContact O-CB 3.27Å; M411-S426 WeakPolarHBondContact O-CB 3.26Å; M411-Y427 PolarHBondContact O-N 3.02Å
412L97.3Very high96.7Very high0 Ų045.8 Ų45.80%023%0.228CC..EExtended strand (participates in β ladder)trans-120.1113.1174.3-172.970.5000109.9R364 V365 E366 I400 M406 S415 V417 L423 Y427 I432R364-L412 PolarHBondContact O-N 2.85Å; V365-L412 WeakPolarHBondContact CA-O 3.27Å; V365-L412 HydrophobicContact CG1-CB 4.37Å; V365-L412 HydrophobicContact CG1-CD2 4.12Å; E366-L412 PolarHBondContact N-O 2.75Å; I400-L412 HydrophobicContact CD1-CD2 4.15Å; I400-L412 HydrophobicContact CG1-CD2 3.74Å; M406-L412 HydrophobicContact CE-CB 3.84Å; M406-L412 HydrophobicContact SD-CB 4.41Å; M406-L412 HydrophobicContact SD-CD2 4.4Å; L412-S415 VanDerWaalsContact CD1-CB 3.46Å; L412-V417 HydrophobicContact CD1-CG2 3.94Å; L412-V417 HydrophobicContact CD2-CG2 3.57Å; L412-V417 HydrophobicContact CG-CG2 4.43Å; L412-L423 HydrophobicContact CD1-CD1 4.42Å; L412-Y427 HydrophobicContact CD1-CD2 4.45Å; L412-I432 HydrophobicContact CD1-CD1 4.21Å
413M95.8Very high96.7Very high36 Ų3645 Ų4518%0.17722%0.223CC..EExtended strand (participates in β ladder)trans-119127.2-178.3-72-17272.500112.8E366 M411 S415 Y427 K428 N429E366-M413 CarbonylContact O-C 3.48Å; E366-M413 VanDerWaalsContact O-CA 3.26Å; E366-M413 WeakPolarHBondContact O-CA 2.9Å; M411-M413 HydrophobicContact CE-CG 3.8Å; M411-M413 HydrophobicContact CE-SD 3.34Å; M411-M413 WeakPolarHBondContact CE-SD 3.34Å; M411-M413 HydrophobicContact CG-CG 4.09Å; M411-M413 HydrophobicContact SD-CG 4.03Å; M411-M413 HydrophobicContact SD-SD 3.79Å; M413-S415 PolarHBondContact O-N 3.01Å; M413-S415 VanDerWaalsContact O-N 3.1Å; M413-S415 PolarHBondContact O-OG 2.83Å; M413-Y427 PolarHBondContact N-O 2.88Å; M413-K428 HydrophobicContact CB-CB 4.19Å; M413-K428 HydrophobicContact CB-CD 4.37Å; M413-K428 HydrophobicContact CB-CG 3.91Å; M413-K428 CarbonylContact O-C 3.56Å; M413-K428 VanDerWaalsContact O-CA 3.26Å; M413-K428 WeakPolarHBondContact O-CA 3.45Å; M413-K428 HydrophobicContact SD-CD 4.16Å; M413-N429 PolarHBondContact O-N 2.79Å
414N93.8Very high96.6Very high10 Ų1046.4 Ų46.45%0.05324%0.237CC..SBendtrans42.844.7177.4-49.1-48000113.7E366 G367 T368 P395 S396 S398 N429E366-N414 PolarHBondContact O-N 3.22Å; G367-N414 VanDerWaalsContact C-OD1 3.27Å; G367-N414 WeakPolarHBondContact CA-OD1 3.48Å; T368-N414 PolarHBondContact N-OD1 3.01Å; T368-N414 VanDerWaalsContact OG1-CG 3.31Å; T368-N414 PolarHBondContact OG1-ND2 3.29Å; T368-N414 PolarHBondContact OG1-OD1 2.86Å; P395-N414 HydrophobicContact CB-CB 4.38Å; S396-N414 PolarHBondContact O-OD1 2.97Å; S398-N414 WeakPolarHBondContact OG-CA 3.24Å; S398-N414 PolarHBondContact OG-N 2.83Å; N414-N429 VanDerWaalsContact CB-OD1 3.3Å; N414-N429 WeakPolarHBondContact CB-OD1 3.44Å; N414-N429 PolarHBondContact ND2-OD1 2.96Å; N414-N429 VanDerWaalsContact ND2-OD1 3.14Å; N414-N429 WeakPolarHBondContact O-CA 3.43Å
415S94.5Very high96.5Very high0 Ų049.4 Ų49.40%026%0.258CS..  trans-128.2151.8-169.8-65.20000110.8S398 V399 L412 M413 N429 Q430S398-S415 CarbonylContact C-O 3.56Å; S398-S415 WeakPolarHBondContact CA-O 3.39Å; S398-S415 PolarHBondContact OG-N 2.9Å; V399-S415 PolarHBondContact N-O 2.94Å; L412-S415 VanDerWaalsContact CD1-CB 3.46Å; M413-S415 PolarHBondContact O-N 3.01Å; M413-S415 VanDerWaalsContact O-N 3.1Å; M413-S415 PolarHBondContact O-OG 2.83Å; S415-N429 PolarHBondContact OG-N 3.1Å; S415-N429 VanDerWaalsContact OG-N 3.14Å; S415-Q430 CarbonylContact C-O 3.59Å; S415-Q430 WeakPolarHBondContact CA-O 3.31Å; S415-Q430 WeakPolarHBondContact CB-O 3.38Å; S415-Q430 PolarHBondContact OG-N 2.9Å; S415-Q430 VanDerWaalsContact OG-N 3.17Å
416I94.1Very high96.5Very high22 Ų2250.7 Ų50.711%0.11327%0.269CS..EExtended strand (participates in β ladder)trans-115118.4178.6-61174.3000107.6P30 L386 L393 V399 Q430 I431 I432P30-I416 VanDerWaalsContact CD-CG2 3.45Å; P30-I416 HydrophobicContact CG-CG2 4.07Å; L386-I416 HydrophobicContact CD1-CD1 4.25Å; L393-I416 HydrophobicContact CD1-CD1 4.47Å; L393-I416 HydrophobicContact CD1-CG1 4.28Å; V399-I416 HydrophobicContact CB-CG1 4.28Å; V399-I416 HydrophobicContact CB-CG2 4.31Å; V399-I416 HydrophobicContact CG2-CG1 4.41Å; I416-Q430 PolarHBondContact N-O 2.82Å; I416-I431 CarbonylContact O-C 3.53Å; I416-I431 VanDerWaalsContact O-CA 3.3Å; I416-I431 WeakPolarHBondContact O-CA 3.28Å; I416-I432 PolarHBondContact O-N 2.88Å
417V95.9Very high96.3Very high0 Ų053.4 Ų53.40%028%0.279CS..EExtended strand (participates in β ladder)trans-102.4123.8178.4-169.20000108.5V399 G401 V404 L412 K421 L423 I432V399-V417 PolarHBondContact O-N 3.02Å; G401-V417 WeakPolarHBondContact CA-O 3.3Å; G401-V417 PolarHBondContact N-O 3.14Å; V404-V417 HydrophobicContact CG1-CG1 3.88Å; V404-V417 HydrophobicContact CG2-CB 4.46Å; V404-V417 HydrophobicContact CG2-CG1 3.81Å; L412-V417 HydrophobicContact CD1-CG2 3.94Å; L412-V417 HydrophobicContact CD2-CG2 3.57Å; L412-V417 HydrophobicContact CG-CG2 4.43Å; V417-K421 HydrophobicContact CG1-CB 3.94Å; V417-K421 HydrophobicContact CG1-CG 4.13Å; V417-L423 HydrophobicContact CB-CD1 4.47Å; V417-L423 HydrophobicContact CG1-CD1 3.96Å; V417-L423 HydrophobicContact CG1-CD2 4.1Å; V417-L423 HydrophobicContact CG1-CG 4.31Å; V417-L423 HydrophobicContact CG2-CD1 3.67Å; V417-I432 HydrophobicContact CG1-CB 4.21Å; V417-I432 HydrophobicContact CG1-CG2 4.43Å; V417-I432 HydrophobicContact CG2-CB 4.48Å; V417-I432 HydrophobicContact CG2-CD1 4.03Å; V417-I432 HydrophobicContact CG2-CG1 4.47Å
418L95.1Very high96.1Very high43 Ų4355.5 Ų55.523%0.22529%0.286CS..PPolyproline II helixtrans-69.9162.5174.5-68.9-163.1000111.8P30 V404 K421 I432 L433P30-L418 HydrophobicContact CB-CD2 3.96Å; P30-L418 HydrophobicContact CG-CD2 4.26Å; V404-L418 WeakPolarHBondContact CG2-O 3.44Å; L418-K421 WeakPolarHBondContact O-CG 3.14Å; L418-I432 WeakPolarHBondContact CB-O 3.4Å; L418-I432 WeakPolarHBondContact CG-O 3.4Å; L418-I432 PolarHBondContact N-O 3.1Å; L418-L433 HydrophobicContact CD1-CB 4.43Å; L418-L433 HydrophobicContact CD1-CD2 3.53Å; L418-L433 HydrophobicContact CG-CD2 4.19Å
419P96.3Very high95.8Very high18 Ų1853 Ų5312%0.11727%0.273CS..SBendtrans-55.5155.5178.6-31.840.8000115.1P30 L33 C402 K421P30-P419 HydrophobicContact CB-CG 4.29Å; L33-P419 HydrophobicContact CD1-CG 3.96Å; C402-P419 VanDerWaalsContact O-CA 3.25Å; C402-P419 WeakPolarHBondContact O-CA 3.34Å; C402-P419 WeakPolarHBondContact SG-CB 3.33Å; C402-P419 WeakPolarHBondContact SG-CG 3.42Å; P419-K421 WeakPolarHBondContact O-CE 3.29Å; P419-K421 PolarHBondContact O-N 3.45Å
420H96.1Very high95.4Very high130 Ų13050.2 Ų50.260%0.60226%0.26SS*.SBendtrans58.243.9170.9-52.9-80.7000114C402 N403C402-H420 PolarHBondContact O-N 2.99Å; N403-H420 PolarHBondContact ND2-CE1 3.04Å
421K96.5Very high95Very high65 Ų6552.7 Ų52.728%0.28327%0.273SS..  trans-112.7151.1177.4-56.4-64.7157.6167.90111.2V404 V405 V417 L418 P419 L423 L433V404-K421 CarbonylContact C-O 3.59Å; V404-K421 VanDerWaalsContact CA-O 3.28Å; V404-K421 WeakPolarHBondContact CA-O 3.4Å; V404-K421 HydrophobicContact CG2-CB 4.26Å; V405-K421 PolarHBondContact N-O 2.71Å; V417-K421 HydrophobicContact CG1-CB 3.94Å; V417-K421 HydrophobicContact CG1-CG 4.13Å; L418-K421 WeakPolarHBondContact O-CG 3.14Å; P419-K421 WeakPolarHBondContact O-CE 3.29Å; P419-K421 PolarHBondContact O-N 3.45Å; K421-L423 HydrophobicContact CB-CD2 4.37Å; K421-L433 WeakPolarHBondContact CD-O 3.07Å; K421-L433 WeakPolarHBondContact CE-O 3.3Å; K421-L433 WeakPolarHBondContact CE-OXT 3.22Å; K421-L433 PolarHBondContact NZ-O 3.32Å; K421-L433 PolarHBondContact NZ-OXT 3.32Å
422E97.2Very high94.8Very high132 Ų13250.4 Ų50.462%0.61726%0.262SS*.EExtended strand (participates in β ladder)trans-113.8122.4169.9-165.8-179.3128.400108V405 M407V405-E422 CarbonylContact O-C 3.59Å; V405-E422 VanDerWaalsContact O-CA 3.31Å; V405-E422 WeakPolarHBondContact O-CA 3.26Å; M407-E422 HydrophobicContact CE-CG 3.56Å; M407-E422 WeakPolarHBondContact CE-OE1 3.35Å
423L97.2Very high94.4Very high1 Ų157.3 Ų57.31%0.00530%0.297CS..EExtended strand (participates in β ladder)trans-107.4110.3-179.2-55.2-171.7000109.2V404 V405 M406 M407 L412 V417 K421 Y427 I432V404-L423 HydrophobicContact CG1-CD1 4.47Å; V404-L423 HydrophobicContact CG1-CG 4.37Å; V405-L423 PolarHBondContact O-N 2.91Å; M406-L423 HydrophobicContact CG-CB 4.11Å; M406-L423 HydrophobicContact CG-CD1 3.88Å; M406-L423 HydrophobicContact CG-CG 4.29Å; M406-L423 HydrophobicContact SD-CD1 4.4Å; M407-L423 WeakPolarHBondContact CB-O 3.29Å; M407-L423 PolarHBondContact N-O 2.58Å; L412-L423 HydrophobicContact CD1-CD1 4.42Å; V417-L423 HydrophobicContact CB-CD1 4.47Å; V417-L423 HydrophobicContact CG1-CD1 3.96Å; V417-L423 HydrophobicContact CG1-CD2 4.1Å; V417-L423 HydrophobicContact CG1-CG 4.31Å; V417-L423 HydrophobicContact CG2-CD1 3.67Å; K421-L423 HydrophobicContact CB-CD2 4.37Å; L423-Y427 HydrophobicContact CB-CE2 4.27Å; L423-Y427 HydrophobicContact CD1-CD2 4.4Å; L423-Y427 HydrophobicContact CD1-CE2 4.46Å; L423-Y427 HydrophobicContact CD2-CD2 4.42Å; L423-Y427 HydrophobicContact CD2-CE2 3.8Å; L423-Y427 HydrophobicContact CG-CE2 4.4Å; L423-I432 HydrophobicContact CD2-CG2 3.9Å
424S95.5Very high94.3Very high86 Ų8658.4 Ų58.460%0.60130%0.303SS*.  trans-106.44.1174.357.60000112.9
425S95.7Very high94.3Very high63 Ų6360.9 Ų60.944%0.44132%0.317SS..SBendtrans-139.2156.2-177.2-68.70000110.6V410 Y427V410-S425 WeakPolarHBondContact CG1-O 3.41Å; S425-Y427 WeakPolarHBondContact O-CD2 3.45Å; S425-Y427 WeakPolarHBondContact O-CE2 3.38Å
426S97.1Very high94.3Very high71 Ų7164.3 Ų64.350%0.49733%0.334SS..  trans-80.5143178.7-66.40000112M411M411-S426 WeakPolarHBondContact CB-OG 3.24Å; M411-S426 PolarHBondContact N-OG 2.86Å; M411-S426 CarbonylContact O-C 3.58Å; M411-S426 WeakPolarHBondContact O-CA 3.42Å; M411-S426 VanDerWaalsContact O-CB 3.27Å; M411-S426 WeakPolarHBondContact O-CB 3.26Å
427Y95.1Very high94.3Very high60 Ų6066.8 Ų66.824%0.23535%0.347CS..EExtended strand (participates in β ladder)trans-131.7146.9-178.3-58.5-88.8000112.1M411 L412 M413 L423 S425 I432M411-Y427 PolarHBondContact O-N 3.02Å; L412-Y427 HydrophobicContact CD1-CD2 4.45Å; M413-Y427 PolarHBondContact N-O 2.88Å; L423-Y427 HydrophobicContact CB-CE2 4.27Å; L423-Y427 HydrophobicContact CD1-CD2 4.4Å; L423-Y427 HydrophobicContact CD1-CE2 4.46Å; L423-Y427 HydrophobicContact CD2-CD2 4.42Å; L423-Y427 HydrophobicContact CD2-CE2 3.8Å; L423-Y427 HydrophobicContact CG-CE2 4.4Å; S425-Y427 WeakPolarHBondContact O-CD2 3.45Å; S425-Y427 WeakPolarHBondContact O-CE2 3.38Å; Y427-I432 HydrophobicContact CD1-CD1 4.46Å; Y427-I432 HydrophobicContact CD1-CG1 3.95Å; Y427-I432 HydrophobicContact CD2-CG1 4.22Å; Y427-I432 HydrophobicContact CE1-CG1 4.27Å; Y427-I432 HydrophobicContact CG-CD1 4.15Å; Y427-I432 HydrophobicContact CG-CG1 3.94Å
428K93.8Very high94.2Very high116 Ų11670.9 Ų70.950%0.50437%0.369SS..EExtended strand (participates in β ladder)trans-141.7132.2177.4-177.3171.2-178.9175.40111.7M413 Q430M413-K428 HydrophobicContact CB-CB 4.19Å; M413-K428 HydrophobicContact CB-CD 4.37Å; M413-K428 HydrophobicContact CB-CG 3.91Å; M413-K428 CarbonylContact O-C 3.56Å; M413-K428 VanDerWaalsContact O-CA 3.26Å; M413-K428 WeakPolarHBondContact O-CA 3.45Å; M413-K428 HydrophobicContact SD-CD 4.16Å; K428-Q430 VanDerWaalsContact C-N 3.31Å; K428-Q430 WeakPolarHBondContact O-CG 3.27Å; K428-Q430 PolarHBondContact O-N 3.08Å; K428-Q430 PolarHBondContact O-NE2 3.01Å
429N91.1Very high94.2Very high34 Ų3472.8 Ų72.818%0.18238%0.378CS..SBendtrans53.741.9176.8-55.1-21.1000113.3L393 M413 N414 S415L393-N429 PolarHBondContact N-O 2.99Å; M413-N429 PolarHBondContact O-N 2.79Å; N414-N429 VanDerWaalsContact CB-OD1 3.3Å; N414-N429 WeakPolarHBondContact CB-OD1 3.44Å; N414-N429 PolarHBondContact ND2-OD1 2.96Å; N414-N429 VanDerWaalsContact ND2-OD1 3.14Å; N414-N429 WeakPolarHBondContact O-CA 3.43Å; S415-N429 PolarHBondContact OG-N 3.1Å; S415-N429 VanDerWaalsContact OG-N 3.14Å
430Q90.6Very high94Very high93 Ų9376.7 Ų76.744%0.43540%0.397SS..  trans-130.4150.3-174.3-76.5171.967.900113L393 S415 I416 K428 I432L393-Q430 WeakPolarHBondContact CD1-O 3.47Å; S415-Q430 CarbonylContact C-O 3.59Å; S415-Q430 WeakPolarHBondContact CA-O 3.31Å; S415-Q430 WeakPolarHBondContact CB-O 3.38Å; S415-Q430 PolarHBondContact OG-N 2.9Å; S415-Q430 VanDerWaalsContact OG-N 3.17Å; I416-Q430 PolarHBondContact N-O 2.82Å; K428-Q430 VanDerWaalsContact C-N 3.31Å; K428-Q430 WeakPolarHBondContact O-CG 3.27Å; K428-Q430 PolarHBondContact O-N 3.08Å; K428-Q430 PolarHBondContact O-NE2 3.01Å; Q430-I432 HydrophobicContact CB-CD1 4.16Å
431I90.2Very high93.8Very high58 Ų5872.6 Ų72.630%0.29738%0.381SS..EExtended strand (participates in β ladder)trans-93.3119.5160.2-56.6179.4000106.6F387 L393 I416 L433F387-I431 HydrophobicContact CE1-CD1 3.69Å; F387-I431 HydrophobicContact CE1-CG1 4.43Å; F387-I431 HydrophobicContact CZ-CD1 3.49Å; F387-I431 VanDerWaalsContact CZ-CD1 3.49Å; L393-I431 HydrophobicContact CD1-CG1 3.64Å; L393-I431 HydrophobicContact CD2-CD1 3.87Å; L393-I431 HydrophobicContact CD2-CG1 3.64Å; L393-I431 HydrophobicContact CG-CD1 4.45Å; L393-I431 HydrophobicContact CG-CG1 3.73Å; I416-I431 CarbonylContact O-C 3.53Å; I416-I431 VanDerWaalsContact O-CA 3.3Å; I416-I431 WeakPolarHBondContact O-CA 3.28Å; I431-L433 HydrophobicContact CG2-CD2 3.67Å; I431-L433 HydrophobicContact CG2-CG 4.29Å
432I91.6Very high93.6Very high21 Ų2173.3 Ų73.311%0.10839%0.39CS..EExtended strand (participates in β ladder)trans-94.7110.5175.8-56.873.6000106.5L412 I416 V417 L418 L423 Y427 Q430L412-I432 HydrophobicContact CD1-CD1 4.21Å; I416-I432 PolarHBondContact O-N 2.88Å; V417-I432 HydrophobicContact CG1-CB 4.21Å; V417-I432 HydrophobicContact CG1-CG2 4.43Å; V417-I432 HydrophobicContact CG2-CB 4.48Å; V417-I432 HydrophobicContact CG2-CD1 4.03Å; V417-I432 HydrophobicContact CG2-CG1 4.47Å; L418-I432 WeakPolarHBondContact CB-O 3.4Å; L418-I432 WeakPolarHBondContact CG-O 3.4Å; L418-I432 PolarHBondContact N-O 3.1Å; L423-I432 HydrophobicContact CD2-CG2 3.9Å; Y427-I432 HydrophobicContact CD1-CD1 4.46Å; Y427-I432 HydrophobicContact CD1-CG1 3.95Å; Y427-I432 HydrophobicContact CD2-CG1 4.22Å; Y427-I432 HydrophobicContact CE1-CG1 4.27Å; Y427-I432 HydrophobicContact CG-CD1 4.15Å; Y427-I432 HydrophobicContact CG-CG1 3.94Å; Q430-I432 HydrophobicContact CB-CD1 4.16Å
433L88.5Confident93.3Very high144 Ų14467.9 Ų67.975%0.75437%0.369SS*.  trans-86.30-170.8-67.5178.3000114.1L418 K421 I431L418-L433 HydrophobicContact CD1-CB 4.43Å; L418-L433 HydrophobicContact CD1-CD2 3.53Å; L418-L433 HydrophobicContact CG-CD2 4.19Å; K421-L433 WeakPolarHBondContact CD-O 3.07Å; K421-L433 WeakPolarHBondContact CE-O 3.3Å; K421-L433 WeakPolarHBondContact CE-OXT 3.22Å; K421-L433 PolarHBondContact NZ-O 3.32Å; K421-L433 PolarHBondContact NZ-OXT 3.32Å; I431-L433 HydrophobicContact CG2-CD2 3.67Å; I431-L433 HydrophobicContact CG2-CG 4.29Å

Retrieved 433 of 433 residues in 497.7 ms (Link to these results)

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