A0A077ZFV5_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077ZFV5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 202 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
1M54.8Low81.8Confident236 Ų236114.6 Ų114.6100%1.16357%0.571SS**  0960-82.2-70.8-102.900110.5
2Q80.6Confident81.9Confident114 Ų114110.2 Ų110.253%0.53354%0.543SS..  trans-100.279.6-178.2-81.2157.8-10.100109.7R4 R5Q2-R4 PolarHBondContact O-N 3.05Å; Q2-R5 HydrophobicContact CB-CB 4.38Å; Q2-R5 HydrophobicContact CB-CG 4.3Å; Q2-R5 PolarHBondContact O-N 3.01Å
3Y85.7Confident82.3Confident164 Ų164101.8 Ų101.864%0.64350%0.502SS*.THydrogen-bonded Turntrans-44.5-31.7176173.8-106.7000113.1R5 P14Y3-R5 VanDerWaalsContact C-N 3.26Å; Y3-R5 PolarHBondContact O-N 2.76Å; Y3-P14 HydrophobicContact CD1-CB 4.41Å; Y3-P14 HydrophobicContact CD1-CG 4.1Å; Y3-P14 HydrophobicContact CE1-CB 3.99Å; Y3-P14 HydrophobicContact CE1-CG 3.65Å; Y3-P14 HydrophobicContact CE2-CG 4.27Å; Y3-P14 VanDerWaalsContact O-CD 3.32Å; Y3-P14 WeakPolarHBondContact O-CD 3.2Å; Y3-P14 WeakPolarHBondContact O-CG 3.07Å
4R84.5Confident82.5Confident176 Ų17696.4 Ų96.466%0.66448%0.478SS*.THydrogen-bonded Turntrans-65.3-18.2177-64.8-172.3176.6-166.1-1.8115.6Q2 S13 G15Q2-R4 PolarHBondContact O-N 3.05Å; R4-S13 VanDerWaalsContact O-CB 3.31Å; R4-S13 WeakPolarHBondContact O-CB 3.27Å; R4-S13 PolarHBondContact O-OG 2.96Å; R4-G15 WeakPolarHBondContact O-CA 3.34Å; R4-G15 PolarHBondContact O-N 3.16Å
5R83.2Confident82.7Confident84 Ų8490.4 Ų90.432%0.31745%0.451SS..THydrogen-bonded Turntrans-110-16.3-176.7-65.5-175.8-179.5168.31.3113.4Q2 Y3 I23 R24Q2-R5 HydrophobicContact CB-CB 4.38Å; Q2-R5 HydrophobicContact CB-CG 4.3Å; Q2-R5 PolarHBondContact O-N 3.01Å; Y3-R5 VanDerWaalsContact C-N 3.26Å; Y3-R5 PolarHBondContact O-N 2.76Å; R5-I23 PolarHBondContact NE-O 2.81Å; R5-I23 PolarHBondContact NH2-O 2.72Å; R5-R24 VanDerWaalsContact NH2-CA 3.3Å; R5-R24 PolarHBondContact NH2-O 3.46Å
6T85.9Confident82.8Confident80 Ų8086.2 Ų86.249%0.49143%0.43SS..SBendtrans-73.8122.7177.4-51.30000108.7S13 P14T6-S13 WeakPolarHBondContact O-CA 3.33Å; T6-P14 VanDerWaalsContact O-CD 3.23Å; T6-P14 WeakPolarHBondContact O-CD 3.19Å
7P85.9Confident82.9Confident82 Ų8284.8 Ų84.853%0.53242%0.424SS..  trans-64.4139.2175.926.5-32.5000110.2G11P7-G11 WeakPolarHBondContact CB-O 3.41Å
8L86.3Confident82.9Confident72 Ų7287.6 Ų87.638%0.37744%0.439SS..  trans-77.2178.8168.7-60.4174.7000109.6C10 G11 Y12 P14 L17L8-C10 PolarHBondContact O-N 2.84Å; L8-G11 PolarHBondContact O-N 2.7Å; L8-Y12 PolarHBondContact N-O 2.78Å; L8-P14 HydrophobicContact CD1-CG 4.37Å; L8-P14 HydrophobicContact CD2-CG 4.33Å; L8-P14 HydrophobicContact CG-CG 4.31Å; L8-L17 HydrophobicContact CD1-CD1 3.94Å
9E86.3Confident82.8Confident162 Ų16286.8 Ų86.876%0.75744%0.437SS*.THydrogen-bonded Turntrans-56.9-21.5175.1-60.7177125.600113.4G11 R54E9-G11 PolarHBondContact O-N 2.99Å; E9-R54 IonicContact OE1-CZ 3.8Å; E9-R54 IonicContact OE1-NH1 2.77Å; E9-R54 PolarHBondContact OE1-NH1 2.98Å; E9-R54 IonicContact OE1-NH2 3.99Å; E9-R54 IonicContact OE2-CZ 3.68Å; E9-R54 IonicContact OE2-NH1 2.63Å; E9-R54 PolarHBondContact OE2-NH1 2.85Å
10C82.2Confident82.6Confident38 Ų3883 Ų8326%0.25742%0.42SS..THydrogen-bonded Turntrans-80.42.7174.465.30000114.3L8 Y12 C50L8-C10 PolarHBondContact O-N 2.84Å; C10-Y12 VanDerWaalsContact O-CD2 3.28Å; C10-Y12 WeakPolarHBondContact O-CD2 3.12Å; C10-Y12 PolarHBondContact O-N 3.31Å; C10-C50 HydrophobicContact CB-CB 3.43Å; C10-C50 VanDerWaalsContact CB-CB 3.43Å
11G84.5Confident82.4Confident53 Ų5380.4 Ų80.455%0.54641%0.405SS..SBendtrans80.9-12.7-179.200000114.9P7 L8 E9P7-G11 WeakPolarHBondContact CB-O 3.41Å; L8-G11 PolarHBondContact O-N 2.7Å; E9-G11 PolarHBondContact O-N 2.99Å
12Y83.2Confident83.6Confident61 Ų6172 Ų7224%0.23936%0.363CS..  trans-101.2141.3178.8-63-80.2000111.7L8 C10 E16 L17 A43 M46L8-Y12 PolarHBondContact N-O 2.78Å; C10-Y12 VanDerWaalsContact O-CD2 3.28Å; C10-Y12 WeakPolarHBondContact O-CD2 3.12Å; C10-Y12 PolarHBondContact O-N 3.31Å; Y12-E16 HydrophobicContact CD1-CB 4.5Å; Y12-L17 HydrophobicContact CG-CD2 4.42Å; Y12-A43 HydrophobicContact CD1-CB 4.12Å; Y12-A43 HydrophobicContact CE1-CB 4.14Å; Y12-M46 HydrophobicContact CD2-CB 4.25Å; Y12-M46 HydrophobicContact CE2-CB 3.41Å; Y12-M46 VanDerWaalsContact CE2-CB 3.41Å; Y12-M46 HydrophobicContact CE2-CG 3.96Å; Y12-M46 WeakPolarHBondContact OH-CG 3.43Å
13S86.9Confident83.4Confident1 Ų168.9 Ų68.91%0.00735%0.35CS..  trans-78.5153.3174.365.40000111.7R4 T6 G15 E16 L17R4-S13 VanDerWaalsContact O-CB 3.31Å; R4-S13 WeakPolarHBondContact O-CB 3.27Å; R4-S13 PolarHBondContact O-OG 2.96Å; T6-S13 WeakPolarHBondContact O-CA 3.33Å; S13-G15 PolarHBondContact O-N 3.05Å; S13-G15 VanDerWaalsContact O-N 3.09Å; S13-E16 WeakPolarHBondContact CB-OE2 3.37Å; S13-E16 PolarHBondContact N-OE2 3.22Å; S13-E16 WeakPolarHBondContact O-CB 3.41Å; S13-E16 PolarHBondContact O-N 2.85Å; S13-E16 VanDerWaalsContact OG-CD 3.23Å; S13-E16 VanDerWaalsContact OG-CG 3.28Å; S13-E16 WeakPolarHBondContact OG-CG 3.5Å; S13-E16 PolarHBondContact OG-N 3.42Å; S13-E16 PolarHBondContact OG-OE2 3.4Å; S13-L17 PolarHBondContact O-N 2.7Å
14P85.6Confident83Confident26 Ų2669.3 Ų69.317%0.16935%0.35CS..Hα-helixtrans-55.5-29.4174.9-26.434.1000113.4Y3 T6 L8 L18Y3-P14 HydrophobicContact CD1-CB 4.41Å; Y3-P14 HydrophobicContact CD1-CG 4.1Å; Y3-P14 HydrophobicContact CE1-CB 3.99Å; Y3-P14 HydrophobicContact CE1-CG 3.65Å; Y3-P14 HydrophobicContact CE2-CG 4.27Å; Y3-P14 VanDerWaalsContact O-CD 3.32Å; Y3-P14 WeakPolarHBondContact O-CD 3.2Å; Y3-P14 WeakPolarHBondContact O-CG 3.07Å; T6-P14 VanDerWaalsContact O-CD 3.23Å; T6-P14 WeakPolarHBondContact O-CD 3.19Å; L8-P14 HydrophobicContact CD1-CG 4.37Å; L8-P14 HydrophobicContact CD2-CG 4.33Å; L8-P14 HydrophobicContact CG-CG 4.31Å; P14-L18 WeakPolarHBondContact O-CB 3.46Å; P14-L18 PolarHBondContact O-N 3.4Å
15G84.4Confident82.5Confident7 Ų767.6 Ų67.67%0.07234%0.344CS..Hα-helixtrans-68.8-38.1174.600000113.2R4 S13 N19R4-G15 WeakPolarHBondContact O-CA 3.34Å; R4-G15 PolarHBondContact O-N 3.16Å; S13-G15 PolarHBondContact O-N 3.05Å; S13-G15 VanDerWaalsContact O-N 3.09Å; G15-N19 WeakPolarHBondContact O-CB 3.43Å; G15-N19 PolarHBondContact O-N 3.01Å; G15-N19 PolarHBondContact O-ND2 2.78Å
16E85.3Confident82Confident23 Ų2373 Ų7311%0.10737%0.37CS..Hα-helixtrans-71.8-40.5176-74.1161.6150.100112Y12 S13 L18 G20 Q22Y12-E16 HydrophobicContact CD1-CB 4.5Å; S13-E16 WeakPolarHBondContact CB-OE2 3.37Å; S13-E16 PolarHBondContact N-OE2 3.22Å; S13-E16 WeakPolarHBondContact O-CB 3.41Å; S13-E16 PolarHBondContact O-N 2.85Å; S13-E16 VanDerWaalsContact OG-CD 3.23Å; S13-E16 VanDerWaalsContact OG-CG 3.28Å; S13-E16 WeakPolarHBondContact OG-CG 3.5Å; S13-E16 PolarHBondContact OG-N 3.42Å; S13-E16 PolarHBondContact OG-OE2 3.4Å; E16-L18 PolarHBondContact O-N 2.89Å; E16-G20 WeakPolarHBondContact O-CA 3.29Å; E16-G20 PolarHBondContact O-N 3.12Å; E16-Q22 HydrophobicContact CG-CB 4.08Å
17L85Confident81.3Confident63 Ų6373.9 Ų73.933%0.3337%0.371SS..Hα-helixtrans-63-32.7176.7-65.4176.3000112.3L8 Y12 S13 A47L8-L17 HydrophobicContact CD1-CD1 3.94Å; Y12-L17 HydrophobicContact CG-CD2 4.42Å; S13-L17 PolarHBondContact O-N 2.7Å; L17-A47 HydrophobicContact CD2-CB 3.63Å
18L82.3Confident80.4Confident134 Ų13471 Ų7170%0.70235%0.351SS*.Hα-helixtrans-84-44.8179.5-174.366000113.2P14 E16P14-L18 WeakPolarHBondContact O-CB 3.46Å; P14-L18 PolarHBondContact O-N 3.4Å; E16-L18 PolarHBondContact O-N 2.89Å
19N81.2Confident79.6Confident73 Ų7370.5 Ų70.539%0.3936%0.357SS..Hα-helixtrans-104-8.2-171.5-55.4-64.1000113.6G15 R21 I23G15-N19 WeakPolarHBondContact O-CB 3.43Å; G15-N19 PolarHBondContact O-N 3.01Å; G15-N19 PolarHBondContact O-ND2 2.78Å; N19-R21 HydrophobicContact CB-CG 4.16Å; N19-R21 PolarHBondContact O-N 3.39Å; N19-I23 HydrophobicContact CB-CD1 4.27Å; N19-I23 WeakPolarHBondContact ND2-CD1 3.34Å
20G78.8Confident79Confident10 Ų1066.1 Ų66.110%0.10334%0.344CS..SBendtrans73.17.7-172.200000115E16 Q39 G40E16-G20 WeakPolarHBondContact O-CA 3.29Å; E16-G20 PolarHBondContact O-N 3.12Å; G20-Q39 CarbonylContact O-C 3.48Å; G20-G40 WeakPolarHBondContact O-CA 3.37Å; G20-G40 PolarHBondContact O-N 2.98Å
21R78Confident78.4Confident30 Ų3070.8 Ų70.811%0.11337%0.366CS..SBendtrans-157.6158.3-174.961-175.6174.8155.21.6112N19 D28 A29 H36N19-R21 HydrophobicContact CB-CG 4.16Å; N19-R21 PolarHBondContact O-N 3.39Å; R21-D28 PolarHBondContact NH1-O 3.48Å; R21-D28 PolarHBondContact NH2-O 3.45Å; R21-A29 PolarHBondContact NH2-O 3.32Å; R21-H36 HydrophobicContact CB-CB 4.15Å
22Q79Confident77.6Confident58 Ų5872.1 Ų72.127%0.27137%0.365SS..  trans-83.8115.8175-158.7-177.434.300110.4E16 R24E16-Q22 HydrophobicContact CG-CB 4.08Å; Q22-R24 HydrophobicContact CG-CG 4.49Å; Q22-R24 PolarHBondContact O-N 2.82Å
23I78.2Confident76.9Confident50 Ų5072.1 Ų72.126%0.25637%0.373SS..  trans-89.3103.5176.5-57.8177.8000109.1R5 N19 W25 D28R5-I23 PolarHBondContact NE-O 2.81Å; R5-I23 PolarHBondContact NH2-O 2.72Å; N19-I23 HydrophobicContact CB-CD1 4.27Å; N19-I23 WeakPolarHBondContact ND2-CD1 3.34Å; I23-W25 WeakPolarHBondContact CG2-O 3.41Å; I23-D28 HydrophobicContact CG2-CB 4.07Å
24R75.4Confident76.2Confident172 Ų17278 Ų7865%0.64941%0.41SS*.  trans-91.2-28.5-179.6-64.2-179.4179.8-176.81.1113R5 Q22 D28R5-R24 VanDerWaalsContact NH2-CA 3.3Å; R5-R24 PolarHBondContact NH2-O 3.46Å; Q22-R24 HydrophobicContact CG-CG 4.49Å; Q22-R24 PolarHBondContact O-N 2.82Å; R24-D28 WeakPolarHBondContact CA-OD2 3.49Å; R24-D28 WeakPolarHBondContact CB-OD2 3.17Å; R24-D28 PolarHBondContact N-OD2 3.18Å
25W74.1Confident75.5Confident140 Ų14080.2 Ų80.253%0.5343%0.431SS..SBendtrans-146.2166.4-178.256.5-58.1000110.6I23 L27 D28I23-W25 WeakPolarHBondContact CG2-O 3.41Å; W25-L27 HydrophobicContact CD2-CB 3.67Å; W25-L27 HydrophobicContact CE3-CB 3.32Å; W25-L27 HydrophobicContact CE3-CD1 3.39Å; W25-L27 HydrophobicContact CE3-CG 3.78Å; W25-L27 HydrophobicContact CH2-CB 3.09Å; W25-L27 HydrophobicContact CH2-CD1 3.74Å; W25-L27 HydrophobicContact CH2-CG 3.92Å; W25-L27 HydrophobicContact CZ2-CB 3.49Å; W25-L27 VanDerWaalsContact CZ2-CB 3.49Å; W25-L27 HydrophobicContact CZ3-CB 3.09Å; W25-L27 HydrophobicContact CZ3-CD1 2.94Å; W25-L27 HydrophobicContact CZ3-CG 3.51Å; W25-L27 PolarHBondContact O-N 3.46Å; W25-D28 PolarHBondContact N-OD2 3.1Å; W25-D28 PolarHBondContact NE1-OD1 2.95Å; W25-D28 PolarHBondContact NE1-OD2 2.77Å; W25-D28 VanDerWaalsContact NE1-OD2 3.15Å; W25-D28 WeakPolarHBondContact O-CB 3.36Å; W25-D28 PolarHBondContact O-N 3.31Å
26K74.4Confident74.8Confident199 Ų19982 Ų8287%0.86544%0.438SS*.G310 helixtrans-61.2-30.9-176.9-73.5-178.5179.4176.90112.7A29K26-A29 WeakPolarHBondContact O-CB 3.39Å; K26-A29 PolarHBondContact O-N 3.38Å
27L70.6Confident74Confident97 Ų9784.1 Ų84.151%0.50846%0.459SS..G310 helixtrans-81.1-19.1-177.5-68.9157000113W25 A29 S30 L31W25-L27 HydrophobicContact CD2-CB 3.67Å; W25-L27 HydrophobicContact CE3-CB 3.32Å; W25-L27 HydrophobicContact CE3-CD1 3.39Å; W25-L27 HydrophobicContact CE3-CG 3.78Å; W25-L27 HydrophobicContact CH2-CB 3.09Å; W25-L27 HydrophobicContact CH2-CD1 3.74Å; W25-L27 HydrophobicContact CH2-CG 3.92Å; W25-L27 HydrophobicContact CZ2-CB 3.49Å; W25-L27 VanDerWaalsContact CZ2-CB 3.49Å; W25-L27 HydrophobicContact CZ3-CB 3.09Å; W25-L27 HydrophobicContact CZ3-CD1 2.94Å; W25-L27 HydrophobicContact CZ3-CG 3.51Å; W25-L27 PolarHBondContact O-N 3.46Å; L27-A29 PolarHBondContact O-N 2.87Å; L27-A29 VanDerWaalsContact O-N 3.17Å; L27-S30 WeakPolarHBondContact CA-OG 3.31Å; L27-S30 PolarHBondContact O-N 3.13Å; L27-S30 PolarHBondContact O-OG 2.75Å; L27-L31 PolarHBondContact O-N 2.99Å
28D67.5Low73.2Confident22 Ų2283.9 Ų83.912%0.11847%0.466CS..G310 helixtrans-56-31.7164.1-80.3-30.5000110.1R21 I23 R24 W25 S30R21-D28 PolarHBondContact NH1-O 3.48Å; R21-D28 PolarHBondContact NH2-O 3.45Å; I23-D28 HydrophobicContact CG2-CB 4.07Å; R24-D28 WeakPolarHBondContact CA-OD2 3.49Å; R24-D28 WeakPolarHBondContact CB-OD2 3.17Å; R24-D28 PolarHBondContact N-OD2 3.18Å; W25-D28 PolarHBondContact N-OD2 3.1Å; W25-D28 PolarHBondContact NE1-OD1 2.95Å; W25-D28 PolarHBondContact NE1-OD2 2.77Å; W25-D28 VanDerWaalsContact NE1-OD2 3.15Å; W25-D28 WeakPolarHBondContact O-CB 3.36Å; W25-D28 PolarHBondContact O-N 3.31Å; D28-S30 VanDerWaalsContact C-N 3.33Å; D28-S30 PolarHBondContact O-N 3.21Å
29A69.6Low72.8Confident61 Ų6181 Ų8150%0.50445%0.449SS..G310 helixtrans-66.9-33.617900000112.6R21 K26 L27R21-A29 PolarHBondContact NH2-O 3.32Å; K26-A29 WeakPolarHBondContact O-CB 3.39Å; K26-A29 PolarHBondContact O-N 3.38Å; L27-A29 PolarHBondContact O-N 2.87Å; L27-A29 VanDerWaalsContact O-N 3.17Å
30S72.3Confident72.3Confident70 Ų7078.3 Ų78.349%0.4944%0.439SS..THydrogen-bonded Turntrans-86.4-32.9-170.649.30000114.7L27 D28L27-S30 WeakPolarHBondContact CA-OG 3.31Å; L27-S30 PolarHBondContact O-N 3.13Å; L27-S30 PolarHBondContact O-OG 2.75Å; D28-S30 VanDerWaalsContact C-N 3.33Å; D28-S30 PolarHBondContact O-N 3.21Å
31L69.5Low72.1Confident136 Ų13685.2 Ų85.271%0.71247%0.466SS*.  trans-137.496.1-174.8-65.7173.4000110.6L27 P33L27-L31 PolarHBondContact O-N 2.99Å; L31-P33 WeakPolarHBondContact O-CD 3.41Å
32P67.9Low72Confident81 Ų8188.3 Ų88.353%0.52648%0.484SS..  trans-73.3123.2172.73.37.8000111.5
33P69.2Low71.7Confident62 Ų6285.7 Ų85.740%0.40347%0.472SS..  trans-55.9145.8159-21.822.8000112L31 A35 H36L31-P33 WeakPolarHBondContact O-CD 3.41Å; P33-A35 PolarHBondContact O-N 2.82Å; P33-A35 VanDerWaalsContact O-N 3.1Å; P33-H36 WeakPolarHBondContact CD-CD2 3.35Å; P33-H36 VanDerWaalsContact CG-CD2 3.44Å; P33-H36 WeakPolarHBondContact CG-CD2 3.26Å; P33-H36 WeakPolarHBondContact O-CB 3.47Å; P33-H36 PolarHBondContact O-CD2 2.96Å; P33-H36 PolarHBondContact O-N 3.09Å
34P71.3Confident71.4Confident123 Ų12386.4 Ų86.480%0.79948%0.482SS*.THydrogen-bonded Turntrans-54.3-31.7179.4-27.534.4000114.4H36 A37P34-H36 PolarHBondContact O-N 3.19Å; P34-A37 WeakPolarHBondContact O-CB 2.99Å; P34-A37 PolarHBondContact O-N 3.22Å; P34-A37 VanDerWaalsContact O-N 3.13Å
35A70.9Confident71.3Confident74 Ų7486.8 Ų86.861%0.61248%0.483SS*.Hα-helixtrans-58.1-29.4176.500000113.4P33 A37 A38 Q39P33-A35 PolarHBondContact O-N 2.82Å; P33-A35 VanDerWaalsContact O-N 3.1Å; A35-A37 VanDerWaalsContact C-N 3.32Å; A35-A37 PolarHBondContact O-N 2.85Å; A35-A38 PolarHBondContact O-N 3Å; A35-Q39 PolarHBondContact O-N 2.77Å; A35-Q39 VanDerWaalsContact O-N 3.16Å
36H70.8Confident71.2Confident45 Ų4584.6 Ų84.621%0.20848%0.48CS..Hα-helixtrans-71.8-24.3179.4-67.9-74.3000113.5R21 P33 P34 A38 Q39 G40R21-H36 HydrophobicContact CB-CB 4.15Å; P33-H36 WeakPolarHBondContact CD-CD2 3.35Å; P33-H36 VanDerWaalsContact CG-CD2 3.44Å; P33-H36 WeakPolarHBondContact CG-CD2 3.26Å; P33-H36 WeakPolarHBondContact O-CB 3.47Å; P33-H36 PolarHBondContact O-CD2 2.96Å; P33-H36 PolarHBondContact O-N 3.09Å; P34-H36 PolarHBondContact O-N 3.19Å; H36-A38 VanDerWaalsContact C-N 3.3Å; H36-A38 PolarHBondContact O-N 3.14Å; H36-Q39 PolarHBondContact ND1-OE1 2.88Å; H36-Q39 PolarHBondContact O-N 2.86Å; H36-G40 PolarHBondContact O-N 2.63Å
37A68.5Low70.9Confident66 Ų6675.8 Ų75.855%0.54545%0.445SS..Hα-helixtrans-66.1-36.5174.400000111.2P34 A35 K41P34-A37 WeakPolarHBondContact O-CB 2.99Å; P34-A37 PolarHBondContact O-N 3.22Å; P34-A37 VanDerWaalsContact O-N 3.13Å; A35-A37 VanDerWaalsContact C-N 3.32Å; A35-A37 PolarHBondContact O-N 2.85Å; A37-K41 WeakPolarHBondContact O-CG 3.42Å; A37-K41 PolarHBondContact O-N 2.86Å
38A68.4Low70.8Confident58 Ų5877.8 Ų77.848%0.47945%0.449SS..Hα-helixtrans-70-43.5173.600000111.3A35 H36 G40 K41 L42A35-A38 PolarHBondContact O-N 3Å; H36-A38 VanDerWaalsContact C-N 3.3Å; H36-A38 PolarHBondContact O-N 3.14Å; A38-G40 VanDerWaalsContact C-N 3.27Å; A38-G40 PolarHBondContact O-N 3.19Å; A38-K41 PolarHBondContact O-N 3.26Å; A38-L42 WeakPolarHBondContact O-CG 3.3Å; A38-L42 PolarHBondContact O-N 2.82Å
39Q72.5Confident70.6Confident74 Ų7480 Ų8035%0.34646%0.464SS..Hα-helixtrans-58.3-40.1176.1-167.8178.121.800111.8G20 A35 H36 L42 A43G20-Q39 CarbonylContact O-C 3.48Å; A35-Q39 PolarHBondContact O-N 2.77Å; A35-Q39 VanDerWaalsContact O-N 3.16Å; H36-Q39 PolarHBondContact ND1-OE1 2.88Å; H36-Q39 PolarHBondContact O-N 2.86Å; Q39-L42 PolarHBondContact O-N 3.22Å; Q39-A43 WeakPolarHBondContact O-CB 3.24Å; Q39-A43 PolarHBondContact O-N 3.35Å
40G72Confident70.1Confident17 Ų1779.3 Ų79.318%0.17546%0.455CS..Hα-helixtrans-68.4-37.2179.600000113.9G20 H36 A38 L42 A43 S44G20-G40 WeakPolarHBondContact O-CA 3.37Å; G20-G40 PolarHBondContact O-N 2.98Å; H36-G40 PolarHBondContact O-N 2.63Å; A38-G40 VanDerWaalsContact C-N 3.27Å; A38-G40 PolarHBondContact O-N 3.19Å; G40-L42 VanDerWaalsContact C-N 3.33Å; G40-A43 PolarHBondContact O-N 3.25Å; G40-S44 WeakPolarHBondContact O-CB 3.33Å; G40-S44 PolarHBondContact O-N 3.32Å
41K74.8Confident69.3Low154 Ų15482.8 Ų82.867%0.6747%0.468SS*.Hα-helixtrans-63.4-41172.4-71.5177.3-178.1-179.20111.2A37 A38 R45A37-K41 WeakPolarHBondContact O-CG 3.42Å; A37-K41 PolarHBondContact O-N 2.86Å; A38-K41 PolarHBondContact O-N 3.26Å; K41-R45 WeakPolarHBondContact O-CB 3.48Å; K41-R45 VanDerWaalsContact O-CG 3.25Å; K41-R45 WeakPolarHBondContact O-CG 3.47Å; K41-R45 PolarHBondContact O-N 2.82Å
42L75.1Confident68.6Low96 Ų9681 Ų8150%0.50347%0.466SS..Hα-helixtrans-66.2-48.8175.9-66.2176.1000111.4A38 Q39 G40 S44 R45 M46A38-L42 WeakPolarHBondContact O-CG 3.3Å; A38-L42 PolarHBondContact O-N 2.82Å; Q39-L42 PolarHBondContact O-N 3.22Å; G40-L42 VanDerWaalsContact C-N 3.33Å; L42-S44 VanDerWaalsContact C-N 3.34Å; L42-S44 PolarHBondContact O-N 2.82Å; L42-R45 PolarHBondContact O-N 2.77Å; L42-R45 VanDerWaalsContact O-N 3.14Å; L42-M46 WeakPolarHBondContact O-CB 3.46Å; L42-M46 VanDerWaalsContact O-CG 3.28Å; L42-M46 WeakPolarHBondContact O-CG 3.34Å; L42-M46 PolarHBondContact O-N 3.13Å
43A72.8Confident67.9Low2 Ų281.9 Ų81.92%0.01747%0.474CS..Hα-helixtrans-58.5-44.3178.300000111.7Y12 Q39 G40 M46 A47Y12-A43 HydrophobicContact CD1-CB 4.12Å; Y12-A43 HydrophobicContact CE1-CB 4.14Å; Q39-A43 WeakPolarHBondContact O-CB 3.24Å; Q39-A43 PolarHBondContact O-N 3.35Å; G40-A43 PolarHBondContact O-N 3.25Å; A43-M46 PolarHBondContact O-N 2.86Å; A43-A47 WeakPolarHBondContact O-CB 3.49Å; A43-A47 PolarHBondContact O-N 2.84Å
44S71.4Confident67.2Low66 Ų6686.8 Ų86.846%0.46248%0.484SS..Hα-helixtrans-65.9-38.3176.4-177.90000112.6G40 L42 A47G40-S44 WeakPolarHBondContact O-CB 3.33Å; G40-S44 PolarHBondContact O-N 3.32Å; L42-S44 VanDerWaalsContact C-N 3.34Å; L42-S44 PolarHBondContact O-N 2.82Å; S44-A47 WeakPolarHBondContact O-CB 3.45Å; S44-A47 PolarHBondContact O-N 2.65Å
45R74.6Confident66.5Low180 Ų18087.2 Ų87.268%0.67948%0.48SS*.Hα-helixtrans-66.7-39.3175.6-79.1178.7171.5-166-3.2112.1K41 L42 P49K41-R45 WeakPolarHBondContact O-CB 3.48Å; K41-R45 VanDerWaalsContact O-CG 3.25Å; K41-R45 WeakPolarHBondContact O-CG 3.47Å; K41-R45 PolarHBondContact O-N 2.82Å; L42-R45 PolarHBondContact O-N 2.77Å; L42-R45 VanDerWaalsContact O-N 3.14Å; R45-P49 WeakPolarHBondContact O-CD 2.96Å
46M71.8Confident65.8Low93 Ų9388.4 Ų88.446%0.45848%0.481SS..Hα-helixtrans-78-22.4178-62.6-56.2-176.300113Y12 L42 A43 K48 P49 C50Y12-M46 HydrophobicContact CD2-CB 4.25Å; Y12-M46 HydrophobicContact CE2-CB 3.41Å; Y12-M46 VanDerWaalsContact CE2-CB 3.41Å; Y12-M46 HydrophobicContact CE2-CG 3.96Å; Y12-M46 WeakPolarHBondContact OH-CG 3.43Å; L42-M46 WeakPolarHBondContact O-CB 3.46Å; L42-M46 VanDerWaalsContact O-CG 3.28Å; L42-M46 WeakPolarHBondContact O-CG 3.34Å; L42-M46 PolarHBondContact O-N 3.13Å; A43-M46 PolarHBondContact O-N 2.86Å; M46-K48 VanDerWaalsContact C-N 3.3Å; M46-K48 PolarHBondContact O-N 3.37Å; M46-P49 WeakPolarHBondContact O-CD 3.48Å; M46-P49 VanDerWaalsContact O-CG 3.3Å; M46-P49 WeakPolarHBondContact O-CG 3.35Å; M46-C50 PolarHBondContact O-N 2.79Å
47A68.4Low65.3Low15 Ų1594.8 Ų94.812%0.12452%0.516CS..Hα-helixtrans-63.4-36.3172.600000112.6L17 A43 S44 C50 L51L17-A47 HydrophobicContact CD2-CB 3.63Å; A43-A47 WeakPolarHBondContact O-CB 3.49Å; A43-A47 PolarHBondContact O-N 2.84Å; S44-A47 WeakPolarHBondContact O-CB 3.45Å; S44-A47 PolarHBondContact O-N 2.65Å; A47-C50 VanDerWaalsContact CA-SG 3.52Å; A47-C50 PolarHBondContact O-N 3.23Å; A47-C50 PolarHBondContact O-SG 2.63Å; A47-L51 WeakPolarHBondContact O-CB 3.34Å; A47-L51 WeakPolarHBondContact O-CD1 3.34Å; A47-L51 WeakPolarHBondContact O-CG 3.32Å; A47-L51 PolarHBondContact O-N 3.42Å; A47-L51 VanDerWaalsContact O-N 3.09Å
48K68Low64.9Low138 Ų13894.2 Ų94.260%0.651%0.506SS*.Hα-helixtrans-61.7-52.1-177.9-66.2176-177-171.30112.9M46 L51 C52M46-K48 VanDerWaalsContact C-N 3.3Å; M46-K48 PolarHBondContact O-N 3.37Å; K48-L51 PolarHBondContact O-N 3.4Å; K48-C52 PolarHBondContact O-N 2.77Å; K48-C52 PolarHBondContact O-SG 3.09Å
49P63.1Low64.7Low68 Ų6896.7 Ų96.744%0.44252%0.517SS..Hα-helixtrans-68.2-34178.126-34000112R45 M46 L51 C52 S53R45-P49 WeakPolarHBondContact O-CD 2.96Å; M46-P49 WeakPolarHBondContact O-CD 3.48Å; M46-P49 VanDerWaalsContact O-CG 3.3Å; M46-P49 WeakPolarHBondContact O-CG 3.35Å; P49-L51 VanDerWaalsContact C-N 3.3Å; P49-L51 PolarHBondContact O-N 2.76Å; P49-C52 PolarHBondContact O-N 2.89Å; P49-S53 WeakPolarHBondContact O-CA 3.4Å; P49-S53 WeakPolarHBondContact O-CB 3.23Å; P49-S53 PolarHBondContact O-N 3.2Å
50C58.7Low64.4Low47 Ų47102.4 Ų102.432%0.31854%0.54SS..Hα-helixtrans-70.6-27.1179.972.30000113.3C10 M46 A47C10-C50 HydrophobicContact CB-CB 3.43Å; C10-C50 VanDerWaalsContact CB-CB 3.43Å; M46-C50 PolarHBondContact O-N 2.79Å; A47-C50 VanDerWaalsContact CA-SG 3.52Å; A47-C50 PolarHBondContact O-N 3.23Å; A47-C50 PolarHBondContact O-SG 2.63Å
51L56.5Low64.1Low143 Ų143106.5 Ų106.575%0.74955%0.551SS**Hα-helixtrans-77.2-33.7174.1-74.8162.8000112.5A47 K48 P49A47-L51 WeakPolarHBondContact O-CB 3.34Å; A47-L51 WeakPolarHBondContact O-CD1 3.34Å; A47-L51 WeakPolarHBondContact O-CG 3.32Å; A47-L51 PolarHBondContact O-N 3.42Å; A47-L51 VanDerWaalsContact O-N 3.09Å; K48-L51 PolarHBondContact O-N 3.4Å; P49-L51 VanDerWaalsContact C-N 3.3Å; P49-L51 PolarHBondContact O-N 2.76Å
52C54.4Low63.8Low100 Ų100104.8 Ų104.868%0.67655%0.553SS**Hα-helixtrans-94.5-24.3-175.2-640000114.1K48 P49K48-C52 PolarHBondContact O-N 2.77Å; K48-C52 PolarHBondContact O-SG 3.09Å; P49-C52 PolarHBondContact O-N 2.89Å
53S53.3Low63.8Low98 Ų98104.4 Ų104.469%0.68555%0.548SS*.SBendtrans-90-10.1-167.1-174.10000115.1P49P49-S53 WeakPolarHBondContact O-CA 3.4Å; P49-S53 WeakPolarHBondContact O-CB 3.23Å; P49-S53 PolarHBondContact O-N 3.2Å
54R54.9Low64.3Low166 Ų166109.4 Ų109.463%0.62658%0.583SS**  trans-109.970.2171-84.1-176.7169-159.2-2.9109E9 P56E9-R54 IonicContact OE1-CZ 3.8Å; E9-R54 IonicContact OE1-NH1 2.77Å; E9-R54 PolarHBondContact OE1-NH1 2.98Å; E9-R54 IonicContact OE1-NH2 3.99Å; E9-R54 IonicContact OE2-CZ 3.68Å; E9-R54 IonicContact OE2-NH1 2.63Å; E9-R54 PolarHBondContact OE2-NH1 2.85Å; R54-P56 VanDerWaalsContact C-N 3.3Å; R54-P56 WeakPolarHBondContact O-CD 3.43Å
55N55.3Low65.1Low132 Ų132107.4 Ų107.471%0.70657%0.566SS**  trans-71.5100.8139.7-79.1-53.2000104.1L57N55-L57 PolarHBondContact O-N 3.26Å; N55-L57 VanDerWaalsContact O-N 3.13Å
56P57.8Low65.8Low99 Ų99101.5 Ų101.564%0.64356%0.555SS**  trans-51.1130.5166.225.3-33000105.2R54 V58R54-P56 VanDerWaalsContact C-N 3.3Å; R54-P56 WeakPolarHBondContact O-CD 3.43Å; P56-V58 WeakPolarHBondContact O-CA 3.28Å; P56-V58 VanDerWaalsContact O-CG2 3.24Å; P56-V58 WeakPolarHBondContact O-CG2 3.46Å; P56-V58 PolarHBondContact O-N 2.81Å
57L59.6Low66.8Low178 Ų178102 Ų10293%0.93256%0.564SS**  trans-40.497176-79.7152.1000107.4N55N55-L57 PolarHBondContact O-N 3.26Å; N55-L57 VanDerWaalsContact O-N 3.13Å
58V60.5Low67.9Low55 Ų55103.6 Ų103.633%0.33358%0.581SS.*  trans-68.1126.3-170.2177.90000103.1P56 K60 R98P56-V58 WeakPolarHBondContact O-CA 3.28Å; P56-V58 VanDerWaalsContact O-CG2 3.24Å; P56-V58 WeakPolarHBondContact O-CG2 3.46Å; P56-V58 PolarHBondContact O-N 2.81Å; V58-K60 PolarHBondContact O-N 2.89Å; V58-R98 VanDerWaalsContact CG2-NH2 3.3Å
59P63.6Low68.9Low109 Ų10998.6 Ų98.671%0.70856%0.562SS**  trans-49.3132.9177.819.6-31.3000108.1R61P59-R61 PolarHBondContact O-N 3.26Å
60K66Low70.3Confident194 Ų19496.7 Ų96.784%0.84355%0.55SS**  trans-42.2116-177.4-179.1179.1178.8-1790107.8V58 V62V58-K60 PolarHBondContact O-N 2.89Å; K60-V62 PolarHBondContact O-N 2.93Å
61R65.2Low71.9Confident103 Ų10394.5 Ų94.539%0.38954%0.535SS..  trans-62.5113.6-175.8-64-178.9-175.1-151.67.7107.4P59 H63 T97P59-R61 PolarHBondContact O-N 3.26Å; R61-H63 PolarHBondContact O-N 3.09Å; R61-T97 PolarHBondContact NH1-O 3.45Å; R61-T97 PolarHBondContact NH1-OG1 2.86Å; R61-T97 PolarHBondContact NH2-OG1 3.02Å
62V69.2Low73.7Confident119 Ų11990.5 Ų90.572%0.72151%0.51SS*.  trans-69.9-26.1-174.8-170.50000110.6K60K60-V62 PolarHBondContact O-N 2.93Å
63H75.4Confident75.5Confident87 Ų8785.8 Ų85.840%0.40348%0.478SS..  trans-136.7133-173.2-52108.6000112.6R61 L120R61-H63 PolarHBondContact O-N 3.09Å; H63-L120 HydrophobicContact CB-CD1 3.93Å; H63-L120 HydrophobicContact CB-CG 4.35Å; H63-L120 WeakPolarHBondContact CD2-CD1 3.46Å
64S83.6Confident77.3Confident108 Ų10885 Ų8576%0.75546%0.461SS*.  trans-109.3131.8167.153.90000109.2
65Y87.6Confident78.8Confident23 Ų2382.2 Ų82.29%0.0945%0.451CS..PPolyproline II helixtrans-97.1128.3177.6-64.2-85000109.3C71 V91 V94 V100 I115 L118 L120Y65-C71 HydrophobicContact CE1-CB 4.11Å; Y65-V91 HydrophobicContact CD1-CG2 4.1Å; Y65-V94 WeakPolarHBondContact O-CG2 3.32Å; Y65-V100 HydrophobicContact CD2-CG2 4.27Å; Y65-V100 HydrophobicContact CG-CG2 4.44Å; Y65-I115 HydrophobicContact CD2-CG2 3.83Å; Y65-I115 HydrophobicContact CE2-CB 4.06Å; Y65-I115 HydrophobicContact CE2-CG2 3.87Å; Y65-L118 HydrophobicContact CD1-CD1 4.4Å; Y65-L118 HydrophobicContact CD2-CD1 4.41Å; Y65-L118 HydrophobicContact CE1-CB 3.96Å; Y65-L118 HydrophobicContact CE1-CD1 4.25Å; Y65-L118 HydrophobicContact CE2-CB 4.17Å; Y65-L118 HydrophobicContact CE2-CD1 4.26Å; Y65-L118 HydrophobicContact CG-CD1 4.48Å; Y65-L118 WeakPolarHBondContact OH-CB 3.46Å; Y65-L118 PolarHBondContact OH-O 3.02Å; Y65-L120 HydrophobicContact CD1-CD2 3.83Å; Y65-L120 HydrophobicContact CE1-CD2 3.54Å; Y65-L120 HydrophobicContact CE1-CG 4.09Å
66A89.7Confident79.9Confident56 Ų5679.6 Ų79.646%0.46344%0.442SS..PPolyproline II helixtrans-103.1161.8170.700000110G68 T69 V91A66-G68 PolarHBondContact O-N 3.39Å; A66-T69 PolarHBondContact N-OG1 3.45Å; A66-T69 WeakPolarHBondContact O-CB 3.46Å; A66-T69 PolarHBondContact O-N 3.44Å; A66-T69 VanDerWaalsContact O-N 3.14Å; A66-T69 PolarHBondContact O-OG1 2.83Å; A66-V91 WeakPolarHBondContact O-CB 3.44Å; A66-V91 VanDerWaalsContact O-CG1 3.3Å; A66-V91 WeakPolarHBondContact O-CG1 3.49Å
67V92.3Very high80.9Confident105 Ų10576 Ų7664%0.63642%0.423SS*.THydrogen-bonded Turntrans-61.6131.3172.8179.10000108.8T92V67-T92 WeakPolarHBondContact CG1-O 3.39Å
68G90.5Very high81.5Confident47 Ų4772.9 Ų72.949%0.48541%0.413SS..THydrogen-bonded Turntrans89.3-8.5-176.300000115.1A66 P70 V91A66-G68 PolarHBondContact O-N 3.39Å; G68-P70 WeakPolarHBondContact O-CD 3.29Å; G68-V91 PolarHBondContact N-O 2.84Å
69T90.4Very high81.5Confident34 Ų3480.1 Ų80.121%0.20944%0.44CS..  trans-65.2127178.4-54.30000111A66 V91 L120A66-T69 PolarHBondContact N-OG1 3.45Å; A66-T69 WeakPolarHBondContact O-CB 3.46Å; A66-T69 PolarHBondContact O-N 3.44Å; A66-T69 VanDerWaalsContact O-N 3.14Å; A66-T69 PolarHBondContact O-OG1 2.83Å; T69-V91 WeakPolarHBondContact O-CG2 3.45Å; T69-V91 PolarHBondContact O-N 3.1Å; T69-V91 VanDerWaalsContact O-N 3.09Å; T69-L120 HydrophobicContact CG2-CD2 3.62Å
70P92.8Very high81.3Confident28 Ų2885.9 Ų85.918%0.18245%0.448CS..EExtended strand (participates in β ladder)trans-70.1135.2171.228.1-32.8000111.2G68 L90 R121 V124G68-P70 WeakPolarHBondContact O-CD 3.29Å; P70-L90 HydrophobicContact CB-CD2 4Å; P70-R121 HydrophobicContact CB-CB 4.26Å; P70-R121 WeakPolarHBondContact CG-O 3.07Å; P70-R121 PolarHBondContact O-N 2.84Å; P70-R121 VanDerWaalsContact O-N 3.12Å; P70-V124 HydrophobicContact CB-CG2 4Å; P70-V124 HydrophobicContact CG-CG2 3.92Å
71C92.4Very high81Confident0 Ų083.1 Ų83.10%044%0.442CS..EExtended strand (participates in β ladder)trans-145.7158.4-179.162.70000110.8Y65 A89 R119Y65-C71 HydrophobicContact CE1-CB 4.11Å; C71-A89 PolarHBondContact N-O 3.45Å; C71-A89 CarbonylContact O-C 3.54Å; C71-A89 WeakPolarHBondContact O-CA 3.46Å; C71-A89 PolarHBondContact O-N 3.32Å; C71-R119 CarbonylContact C-O 3.41Å; C71-R119 WeakPolarHBondContact CA-O 3.19Å; C71-R119 WeakPolarHBondContact CB-O 3.44Å
72Y92.9Very high80.7Confident60 Ų6088.3 Ų88.324%0.23547%0.467CS..EExtended strand (participates in β ladder)trans-92.2133.5160.4-64.5-76.4000109.1V87 P88 L118 R119 R121 D127Y72-V87 CarbonylContact C-O 3.56Å; Y72-V87 WeakPolarHBondContact CA-O 3.31Å; Y72-P88 HydrophobicContact CD1-CB 4.24Å; Y72-P88 HydrophobicContact CE1-CB 4.13Å; Y72-L118 CarbonylContact O-C 3.52Å; Y72-L118 VanDerWaalsContact O-CA 3.29Å; Y72-L118 WeakPolarHBondContact O-CA 3.46Å; Y72-R119 PolarHBondContact N-O 3.42Å; Y72-R119 PolarHBondContact O-N 2.86Å; Y72-R121 HydrophobicContact CD2-CB 3.94Å; Y72-R121 HydrophobicContact CD2-CG 4.26Å; Y72-R121 HydrophobicContact CE2-CB 3.75Å; Y72-R121 HydrophobicContact CE2-CG 3.59Å; Y72-R121 VanDerWaalsContact CZ-CD 3.5Å; Y72-R121 PolarHBondContact OH-NE 3.46Å; Y72-D127 PolarHBondContact OH-OD2 3.22Å
73A92.6Very high80.4Confident0 Ų090.6 Ų90.60%047%0.47CS..EExtended strand (participates in β ladder)trans-110.2137.7177.100000110.9Y75 V87 A89 V102 W111 L118A73-Y75 PolarHBondContact O-N 2.97Å; A73-V87 PolarHBondContact N-O 2.77Å; A73-V87 PolarHBondContact O-N 3.25Å; A73-A89 HydrophobicContact CB-CB 3.99Å; A73-V102 HydrophobicContact CB-CG2 3.85Å; A73-W111 HydrophobicContact CB-CE3 3.98Å; A73-W111 HydrophobicContact CB-CZ3 4.14Å; A73-L118 HydrophobicContact CB-CD2 3.74Å
74W90.7Very high80.1Confident83 Ų8390.1 Ų90.131%0.31448%0.475SS..EExtended strand (participates in β ladder)trans-69.6129.2176.5-168-84.4000111.8C76 P84 W86 R113 Q117W74-C76 VanDerWaalsContact CD1-SG 3.54Å; W74-P84 HydrophobicContact CD2-CB 4.28Å; W74-P84 HydrophobicContact CE3-CB 4.35Å; W74-P84 HydrophobicContact CH2-CB 3.15Å; W74-P84 HydrophobicContact CH2-CG 3.5Å; W74-P84 HydrophobicContact CZ2-CB 2.98Å; W74-P84 HydrophobicContact CZ2-CG 3.74Å; W74-P84 HydrophobicContact CZ3-CB 3.84Å; W74-P84 HydrophobicContact CZ3-CG 4.29Å; W74-W86 HydrophobicContact CB-CE3 4.49Å; W74-W86 HydrophobicContact CB-CZ3 4.24Å; W74-W86 AromaticContact CE3-CD2 3.88Å; W74-W86 HydrophobicContact CE3-CD2 3.88Å; W74-W86 AromaticContact CE3-CE2 3.32Å; W74-W86 HydrophobicContact CE3-CE3 4.32Å; W74-W86 HydrophobicContact CE3-CG 4.49Å; W74-W86 AromaticContact CE3-CH2 3.79Å; W74-W86 HydrophobicContact CE3-CH2 3.79Å; W74-W86 AromaticContact CE3-CZ2 3.28Å; W74-W86 HydrophobicContact CE3-CZ2 3.28Å; W74-W86 HydrophobicContact CE3-CZ3 4.28Å; W74-W86 AromaticContact CE3-NE1 3.66Å; W74-W86 HydrophobicContact CZ3-CD2 4.44Å; W74-W86 AromaticContact CZ3-CE2 3.54Å; W74-W86 HydrophobicContact CZ3-CH2 4.42Å; W74-W86 AromaticContact CZ3-CZ2 3.53Å; W74-W86 HydrophobicContact CZ3-CZ2 3.53Å; W74-W86 AromaticContact CZ3-NE1 3.46Å; W74-R113 PolarHBondContact O-NE 2.97Å; W74-R113 VanDerWaalsContact O-NE 3.1Å; W74-Q117 HydrophobicContact CB-CB 4.11Å; W74-Q117 PolarHBondContact N-O 2.83Å
75Y87.7Confident80.1Confident107 Ų10793.5 Ų93.542%0.4247%0.471SS..  trans-82.1120.6173.6-178.3-110.9000111.5A73 G77 R85 W111A73-Y75 PolarHBondContact O-N 2.97Å; Y75-G77 VanDerWaalsContact CZ-CA 3.49Å; Y75-R85 WeakPolarHBondContact CB-O 3.18Å; Y75-R85 PolarHBondContact N-O 2.77Å; Y75-W111 AromaticContact CD2-CH2 3.58Å; Y75-W111 HydrophobicContact CD2-CH2 3.58Å; Y75-W111 AromaticContact CD2-CZ2 3.76Å; Y75-W111 HydrophobicContact CD2-CZ2 3.76Å; Y75-W111 HydrophobicContact CE2-CH2 4.4Å; Y75-W111 HydrophobicContact CE2-CZ2 4.19Å; Y75-W111 HydrophobicContact CG-CH2 4.47Å
76C78.3Confident80.2Confident77 Ų7795.3 Ų95.352%0.5248%0.478SS..  trans-112.445.9176.3-62.50000111.9W74W74-C76 VanDerWaalsContact CD1-SG 3.54Å
77G76.9Confident80.2Confident23 Ų2393.7 Ų93.724%0.23746%0.462CS..  trans-85.9173.7178.200000114.3Y75 K79Y75-G77 VanDerWaalsContact CZ-CA 3.49Å; G77-K79 PolarHBondContact O-N 2.94Å
78P72.6Confident80.2Confident113 Ų11390.7 Ų90.773%0.73445%0.445SS*.  trans-53.8120.4173.5-2232.6000110.5R80P78-R80 PolarHBondContact O-N 3.09Å
79K61.5Low80.3Confident207 Ų20788.7 Ų88.790%0.942%0.424SS*.  trans-59.687.7-177.4-71.4-179.1175.1-174.80111.1G77G77-K79 PolarHBondContact O-N 2.94Å
80R58.9Low80.5Confident229 Ų22990.5 Ų90.586%0.86443%0.432SS*.SBendtrans-93.3-30.5162.9-68.7-164.6175.3-164.3-0.7111.3P78P78-R80 PolarHBondContact O-N 3.09Å
81D59.5Low80.5Confident136 Ų13689.3 Ų89.373%0.72742%0.424SS*.SBendtrans-117.8134.2178-52.1-46.9000109.5E83D81-E83 PolarHBondContact O-N 3.33Å
82K58.2Low80.6Confident212 Ų21291.3 Ų91.392%0.92244%0.436SS*.SBendtrans-70.11-170.4-72.4178.5178.3-178.30114.2
83E63.7Low80.7Confident167 Ų16793 Ų9378%0.7845%0.446SS*.SBendtrans-114.9125.9-169.3-69.2174.4-164.500111.5D81 R85D81-E83 PolarHBondContact O-N 3.33Å; E83-R85 PolarHBondContact O-N 3.33Å; E83-R85 VanDerWaalsContact O-N 3.16Å
84P68.6Low80.7Confident77 Ų7796 Ų9650%0.547%0.465SS..PPolyproline II helixtrans-66117.7173.426.6-31.6000110.7W74W74-P84 HydrophobicContact CD2-CB 4.28Å; W74-P84 HydrophobicContact CE3-CB 4.35Å; W74-P84 HydrophobicContact CH2-CB 3.15Å; W74-P84 HydrophobicContact CH2-CG 3.5Å; W74-P84 HydrophobicContact CZ2-CB 2.98Å; W74-P84 HydrophobicContact CZ2-CG 3.74Å; W74-P84 HydrophobicContact CZ3-CB 3.84Å; W74-P84 HydrophobicContact CZ3-CG 4.29Å
85R84.9Confident80.7Confident180 Ų18096 Ų9668%0.67947%0.467SS*.PPolyproline II helixtrans-95.6123.1-179-169.8173.7177.7177.60.7111.2Y75 E83 V87Y75-R85 WeakPolarHBondContact CB-O 3.18Å; Y75-R85 PolarHBondContact N-O 2.77Å; E83-R85 PolarHBondContact O-N 3.33Å; E83-R85 VanDerWaalsContact O-N 3.16Å; R85-V87 HydrophobicContact CG-CG2 4.11Å
86W89.7Confident80.8Confident60 Ų6093.6 Ų93.623%0.22748%0.475CS..EExtended strand (participates in β ladder)trans-78.1124.6163.3-71.9100.5000108.6W74 Q117 R119W74-W86 HydrophobicContact CB-CE3 4.49Å; W74-W86 HydrophobicContact CB-CZ3 4.24Å; W74-W86 AromaticContact CE3-CD2 3.88Å; W74-W86 HydrophobicContact CE3-CD2 3.88Å; W74-W86 AromaticContact CE3-CE2 3.32Å; W74-W86 HydrophobicContact CE3-CE3 4.32Å; W74-W86 HydrophobicContact CE3-CG 4.49Å; W74-W86 AromaticContact CE3-CH2 3.79Å; W74-W86 HydrophobicContact CE3-CH2 3.79Å; W74-W86 AromaticContact CE3-CZ2 3.28Å; W74-W86 HydrophobicContact CE3-CZ2 3.28Å; W74-W86 HydrophobicContact CE3-CZ3 4.28Å; W74-W86 AromaticContact CE3-NE1 3.66Å; W74-W86 HydrophobicContact CZ3-CD2 4.44Å; W74-W86 AromaticContact CZ3-CE2 3.54Å; W74-W86 HydrophobicContact CZ3-CH2 4.42Å; W74-W86 AromaticContact CZ3-CZ2 3.53Å; W74-W86 HydrophobicContact CZ3-CZ2 3.53Å; W74-W86 AromaticContact CZ3-NE1 3.46Å; W86-Q117 WeakPolarHBondContact CZ3-O 3.28Å; W86-R119 HydrophobicContact CE3-CB 4.44Å; W86-R119 HydrophobicContact CE3-CG 4.23Å; W86-R119 HydrophobicContact CH2-CG 3.63Å; W86-R119 HydrophobicContact CZ2-CG 4Å; W86-R119 HydrophobicContact CZ3-CB 4.2Å; W86-R119 HydrophobicContact CZ3-CG 3.74Å
87V89.3Confident81.1Confident22 Ų2294.8 Ų94.813%0.13348%0.48CS..EExtended strand (participates in β ladder)trans-115.9132.9-175.9-177.80000109.3Y72 A73 R85 A89 V104 W111Y72-V87 CarbonylContact C-O 3.56Å; Y72-V87 WeakPolarHBondContact CA-O 3.31Å; A73-V87 PolarHBondContact N-O 2.77Å; A73-V87 PolarHBondContact O-N 3.25Å; R85-V87 HydrophobicContact CG-CG2 4.11Å; V87-A89 PolarHBondContact O-N 3.02Å; V87-V104 HydrophobicContact CG1-CG1 3.53Å; V87-V104 HydrophobicContact CG1-CG2 4.45Å; V87-W111 HydrophobicContact CB-CH2 4.26Å; V87-W111 HydrophobicContact CB-CZ3 4.18Å; V87-W111 HydrophobicContact CG1-CH2 4.4Å; V87-W111 HydrophobicContact CG2-CH2 4.24Å; V87-W111 HydrophobicContact CG2-CZ3 4.49Å
88P92.6Very high81.7Confident43 Ų4397.9 Ų97.928%0.27948%0.484SS..EExtended strand (participates in β ladder)trans-64.2134.3179.426.8-35.1000111.4Y72 A105Y72-P88 HydrophobicContact CD1-CB 4.24Å; Y72-P88 HydrophobicContact CE1-CB 4.13Å; P88-A105 PolarHBondContact O-N 2.95Å
89A93Very high82.6Confident4 Ų494.5 Ų94.53%0.03346%0.463CS..EExtended strand (participates in β ladder)trans-149.3161.6-176.500000112C71 A73 V87 V102 R103C71-A89 PolarHBondContact N-O 3.45Å; C71-A89 CarbonylContact O-C 3.54Å; C71-A89 WeakPolarHBondContact O-CA 3.46Å; C71-A89 PolarHBondContact O-N 3.32Å; A73-A89 HydrophobicContact CB-CB 3.99Å; V87-A89 PolarHBondContact O-N 3.02Å; A89-V102 HydrophobicContact CB-CB 3.96Å; A89-V102 HydrophobicContact CB-CG2 4.15Å; A89-R103 CarbonylContact C-O 3.48Å; A89-R103 WeakPolarHBondContact CA-O 3.43Å; A89-R103 WeakPolarHBondContact CB-O 3.39Å
90L93Very high84.1Confident73 Ų7384.7 Ų84.738%0.38242%0.421SS..EExtended strand (participates in β ladder)trans-118.1134.2176.1-70.8167.1000109.5P70 T92 V102 R103P70-L90 HydrophobicContact CB-CD2 4Å; L90-T92 PolarHBondContact O-N 2.85Å; L90-V102 CarbonylContact O-C 3.59Å; L90-V102 VanDerWaalsContact O-CA 3.26Å; L90-V102 WeakPolarHBondContact O-CA 3.3Å; L90-R103 PolarHBondContact N-O 3.45Å; L90-R103 PolarHBondContact O-N 2.93Å
91V93.7Very high85.9Confident3 Ų375.6 Ų75.62%0.01839%0.388CS..EExtended strand (participates in β ladder)trans-68.8121.3176.2176.30000109.9Y65 A66 G68 T69 V94 V100 V102Y65-V91 HydrophobicContact CD1-CG2 4.1Å; A66-V91 WeakPolarHBondContact O-CB 3.44Å; A66-V91 VanDerWaalsContact O-CG1 3.3Å; A66-V91 WeakPolarHBondContact O-CG1 3.49Å; G68-V91 PolarHBondContact N-O 2.84Å; T69-V91 WeakPolarHBondContact O-CG2 3.45Å; T69-V91 PolarHBondContact O-N 3.1Å; T69-V91 VanDerWaalsContact O-N 3.09Å; V91-V94 HydrophobicContact CG1-CG2 4.01Å; V91-V100 HydrophobicContact CB-CG1 4.16Å; V91-V100 HydrophobicContact CG1-CG1 3.36Å; V91-V100 HydrophobicContact CG2-CG1 3.86Å; V91-V102 HydrophobicContact CG2-CG1 4.1Å
92T94.1Very high87.5Confident41 Ų4169.1 Ų69.125%0.25235%0.354SS..EExtended strand (participates in β ladder)trans-98.2-41177.158.20000111.8V67 L90 Q101 R103 L110V67-T92 WeakPolarHBondContact CG1-O 3.39Å; L90-T92 PolarHBondContact O-N 2.85Å; T92-Q101 PolarHBondContact N-O 2.64Å; T92-Q101 WeakPolarHBondContact OG1-CG 2.99Å; T92-Q101 PolarHBondContact OG1-O 2.73Å; T92-R103 HydrophobicContact CG2-CB 3.61Å; T92-L110 HydrophobicContact CG2-CD2 3.93Å
93E94.8Very high89.2Confident97 Ų9764 Ų6445%0.45333%0.328SS..EExtended strand (participates in β ladder)trans-147.2150.3-176.9-61.6-174.617700110.8F95 V100 Q101E93-F95 HydrophobicContact CB-CZ 4.45Å; E93-F95 VanDerWaalsContact OE2-CZ 3.29Å; E93-F95 WeakPolarHBondContact OE2-CZ 3.48Å; E93-V100 WeakPolarHBondContact O-CG1 3.21Å; E93-Q101 HydrophobicContact CB-CB 4.06Å; E93-Q101 PolarHBondContact N-O 3.45Å; E93-Q101 PolarHBondContact O-N 3.26Å
94V93.4Very high90.5Very high63 Ų6356.7 Ų56.738%0.38230%0.295SS..EExtended strand (participates in β ladder)trans-116.5116.8179.3179.50000109.2Y65 V91 G96 V100Y65-V94 WeakPolarHBondContact O-CG2 3.32Å; V91-V94 HydrophobicContact CG1-CG2 4.01Å; V94-G96 WeakPolarHBondContact CG1-O 3.33Å; V94-V100 HydrophobicContact CG1-CG2 4.46Å; V94-V100 HydrophobicContact CG2-CG1 4.38Å
95F90.8Very high91.2Very high82 Ų8254.8 Ų54.836%0.3629%0.286SS..EExtended strand (participates in β ladder)trans-98.692.6179-66-64.8000111.1E93 S99 Q101 K112E93-F95 HydrophobicContact CB-CZ 4.45Å; E93-F95 VanDerWaalsContact OE2-CZ 3.29Å; E93-F95 WeakPolarHBondContact OE2-CZ 3.48Å; F95-S99 CarbonylContact C-O 3.52Å; F95-S99 WeakPolarHBondContact CA-O 3.48Å; F95-S99 PolarHBondContact N-O 3.38Å; F95-S99 WeakPolarHBondContact O-CB 3.28Å; F95-S99 PolarHBondContact O-N 3.03Å; F95-Q101 HydrophobicContact CD2-CB 4.41Å; F95-Q101 HydrophobicContact CE2-CB 3.85Å; F95-K112 HydrophobicContact CD2-CD 4.32Å; F95-K112 HydrophobicContact CE2-CD 4.45Å
96G88.8Confident90.8Very high57 Ų5752 Ų5259%0.58829%0.292SS*.THydrogen-bonded Turntrans64.5-146.8-177.600000110.9V94V94-G96 WeakPolarHBondContact CG1-O 3.33Å
97T85.7Confident90.4Very high102 Ų10260 Ų6063%0.62632%0.321SS*.THydrogen-bonded Turntrans-89.3-25.8-169.267.70000113.2R61R61-T97 PolarHBondContact NH1-O 3.45Å; R61-T97 PolarHBondContact NH1-OG1 2.86Å; R61-T97 PolarHBondContact NH2-OG1 3.02Å
98R88.3Confident90.2Very high87 Ų8760.1 Ų60.133%0.32833%0.327SS..THydrogen-bonded Turntrans-123.7-8-169.2-61.8-166.9-171.1-165.63.9115.7V58 H114 I115V58-R98 VanDerWaalsContact CG2-NH2 3.3Å; R98-H114 WeakPolarHBondContact CD-NE2 3.43Å; R98-H114 CarbonylContact O-C 3.56Å; R98-H114 WeakPolarHBondContact O-CA 3.09Å; R98-H114 PolarHBondContact O-CD2 3.37Å; R98-I115 HydrophobicContact CB-CD1 4.21Å; R98-I115 HydrophobicContact CB-CG1 4.14Å; R98-I115 HydrophobicContact CG-CD1 3.97Å; R98-I115 HydrophobicContact CG-CG1 4.41Å; R98-I115 PolarHBondContact O-N 3.37Å
99S92.4Very high90.1Very high42 Ų4261.7 Ų61.729%0.29434%0.338SS..EExtended strand (participates in β ladder)trans-114.7135-179.5-64.30000109.2F95 R113F95-S99 CarbonylContact C-O 3.52Å; F95-S99 WeakPolarHBondContact CA-O 3.48Å; F95-S99 PolarHBondContact N-O 3.38Å; F95-S99 WeakPolarHBondContact O-CB 3.28Å; F95-S99 PolarHBondContact O-N 3.03Å; S99-R113 WeakPolarHBondContact CA-O 3.36Å
100V93.5Very high90.1Very high2 Ų266 Ų661%0.01236%0.36CS..EExtended strand (participates in β ladder)trans-135.8142.4-176.8-177.10000108.3Y65 V91 E93 V94 V102 R113 I115 L118Y65-V100 HydrophobicContact CD2-CG2 4.27Å; Y65-V100 HydrophobicContact CG-CG2 4.44Å; V91-V100 HydrophobicContact CB-CG1 4.16Å; V91-V100 HydrophobicContact CG1-CG1 3.36Å; V91-V100 HydrophobicContact CG2-CG1 3.86Å; E93-V100 WeakPolarHBondContact O-CG1 3.21Å; V94-V100 HydrophobicContact CG1-CG2 4.46Å; V94-V100 HydrophobicContact CG2-CG1 4.38Å; V100-V102 HydrophobicContact CG1-CG1 4.04Å; V100-R113 PolarHBondContact N-O 2.92Å; V100-R113 PolarHBondContact O-N 3.33Å; V100-I115 HydrophobicContact CG2-CG2 4.11Å; V100-L118 HydrophobicContact CB-CD1 3.81Å; V100-L118 HydrophobicContact CG1-CD1 4.13Å; V100-L118 HydrophobicContact CG2-CD1 4.21Å
101Q95.2Very high90.1Very high38 Ų3864.4 Ų64.418%0.17835%0.349CS..EExtended strand (participates in β ladder)trans-96.6129.3169.8-166.4164.6-25.100109.3T92 E93 F95 L110 W111T92-Q101 PolarHBondContact N-O 2.64Å; T92-Q101 WeakPolarHBondContact OG1-CG 2.99Å; T92-Q101 PolarHBondContact OG1-O 2.73Å; E93-Q101 HydrophobicContact CB-CB 4.06Å; E93-Q101 PolarHBondContact N-O 3.45Å; E93-Q101 PolarHBondContact O-N 3.26Å; F95-Q101 HydrophobicContact CD2-CB 4.41Å; F95-Q101 HydrophobicContact CE2-CB 3.85Å; Q101-L110 HydrophobicContact CG-CB 4.45Å; Q101-W111 CarbonylContact C-O 3.37Å; Q101-W111 WeakPolarHBondContact CA-O 3.42Å
102V93.6Very high90.1Very high0 Ų070.3 Ų70.30%037%0.374CS..EExtended strand (participates in β ladder)trans-126.5138.9-176.9-59.40000109.7A73 A89 L90 V91 V100 L110 W111 R113 L118A73-V102 HydrophobicContact CB-CG2 3.85Å; A89-V102 HydrophobicContact CB-CB 3.96Å; A89-V102 HydrophobicContact CB-CG2 4.15Å; L90-V102 CarbonylContact O-C 3.59Å; L90-V102 VanDerWaalsContact O-CA 3.26Å; L90-V102 WeakPolarHBondContact O-CA 3.3Å; V91-V102 HydrophobicContact CG2-CG1 4.1Å; V100-V102 HydrophobicContact CG1-CG1 4.04Å; V102-L110 CarbonylContact O-C 3.26Å; V102-L110 WeakPolarHBondContact O-CA 3.45Å; V102-W111 HydrophobicContact CG2-CB 3.95Å; V102-W111 PolarHBondContact N-O 2.91Å; V102-W111 PolarHBondContact O-N 2.75Å; V102-R113 HydrophobicContact CG2-CG 4.18Å; V102-L118 HydrophobicContact CG1-CD1 4.01Å; V102-L118 HydrophobicContact CG1-CD2 3.87Å; V102-L118 HydrophobicContact CG2-CD2 4.34Å
103R93.4Very high90Very high103 Ų10370.2 Ų70.239%0.38937%0.369SS..EExtended strand (participates in β ladder)trans-98.2120.7171.8-174.8174.2179.7-125.8-0.2108.6A89 L90 T92 A105 L110A89-R103 CarbonylContact C-O 3.48Å; A89-R103 WeakPolarHBondContact CA-O 3.43Å; A89-R103 WeakPolarHBondContact CB-O 3.39Å; L90-R103 PolarHBondContact N-O 3.45Å; L90-R103 PolarHBondContact O-N 2.93Å; T92-R103 HydrophobicContact CG2-CB 3.61Å; R103-A105 PolarHBondContact O-N 2.94Å; R103-L110 HydrophobicContact CB-CD2 3.65Å; R103-L110 HydrophobicContact CG-CD2 4.03Å
104V91Very high89.9Confident14 Ų1468 Ų689%0.08536%0.358CS..EExtended strand (participates in β ladder)trans-64.9125.1174.9173.60000109.2V87 G108 P109 W111V87-V104 HydrophobicContact CG1-CG1 3.53Å; V87-V104 HydrophobicContact CG1-CG2 4.45Å; V104-G108 VanDerWaalsContact O-CA 3.31Å; V104-G108 WeakPolarHBondContact O-CA 3.45Å; V104-G108 PolarHBondContact O-N 3.25Å; V104-P109 PolarHBondContact N-O 3.36Å; V104-W111 HydrophobicContact CG2-CD2 3.69Å; V104-W111 HydrophobicContact CG2-CE3 3.53Å; V104-W111 HydrophobicContact CG2-CH2 3.52Å; V104-W111 HydrophobicContact CG2-CZ2 3.71Å; V104-W111 HydrophobicContact CG2-CZ3 3.45Å; V104-W111 VanDerWaalsContact CG2-CZ3 3.45Å
105A82.9Confident89.7Confident38 Ų3866.4 Ų66.431%0.31435%0.348SS..THydrogen-bonded Turntrans-76.6147.7178.700000110.2P88 R103P88-A105 PolarHBondContact O-N 2.95Å; R103-A105 PolarHBondContact O-N 2.94Å
106P77.6Confident89.7Confident122 Ų12269.5 Ų69.579%0.79236%0.363SS*.THydrogen-bonded Turncis-87.2-28.8-2.531.2-33.1000114.3
107R81.1Confident89.8Confident226 Ų22670 Ų7085%0.85335%0.35SS*.THydrogen-bonded Turntrans-141.137.6-175.9-154.3177.3-177.1172.71112.5
108G84.5Confident90.1Very high25 Ų2565.5 Ų65.526%0.25832%0.323SS..  trans-85.9176.5-176.600000114.5V104V104-G108 VanDerWaalsContact O-CA 3.31Å; V104-G108 WeakPolarHBondContact O-CA 3.45Å; V104-G108 PolarHBondContact O-N 3.25Å
109P90.7Very high90.2Very high77 Ų7768.4 Ų68.450%0.533%0.333SS..  trans-64.7158.8178.127.8-35.5000112.3V104 W111V104-P109 PolarHBondContact N-O 3.36Å; P109-W111 HydrophobicContact CG-CZ2 4.4Å
110L92.8Very high90Very high95 Ų9568.1 Ų68.150%0.49733%0.328SS..EExtended strand (participates in β ladder)trans-81.5127.5169.3-65.6168.5000109.5T92 Q101 V102 R103T92-L110 HydrophobicContact CG2-CD2 3.93Å; Q101-L110 HydrophobicContact CG-CB 4.45Å; V102-L110 CarbonylContact O-C 3.26Å; V102-L110 WeakPolarHBondContact O-CA 3.45Å; R103-L110 HydrophobicContact CB-CD2 3.65Å; R103-L110 HydrophobicContact CG-CD2 4.03Å
111W92.8Very high89.6Confident39 Ų3969.9 Ų69.915%0.14834%0.335CS..EExtended strand (participates in β ladder)trans-115.2135.6175.6-68.1-15.7000110.7A73 Y75 V87 Q101 V102 V104 P109 R113A73-W111 HydrophobicContact CB-CE3 3.98Å; A73-W111 HydrophobicContact CB-CZ3 4.14Å; Y75-W111 AromaticContact CD2-CH2 3.58Å; Y75-W111 HydrophobicContact CD2-CH2 3.58Å; Y75-W111 AromaticContact CD2-CZ2 3.76Å; Y75-W111 HydrophobicContact CD2-CZ2 3.76Å; Y75-W111 HydrophobicContact CE2-CH2 4.4Å; Y75-W111 HydrophobicContact CE2-CZ2 4.19Å; Y75-W111 HydrophobicContact CG-CH2 4.47Å; V87-W111 HydrophobicContact CB-CH2 4.26Å; V87-W111 HydrophobicContact CB-CZ3 4.18Å; V87-W111 HydrophobicContact CG1-CH2 4.4Å; V87-W111 HydrophobicContact CG2-CH2 4.24Å; V87-W111 HydrophobicContact CG2-CZ3 4.49Å; Q101-W111 CarbonylContact C-O 3.37Å; Q101-W111 WeakPolarHBondContact CA-O 3.42Å; V102-W111 HydrophobicContact CG2-CB 3.95Å; V102-W111 PolarHBondContact N-O 2.91Å; V102-W111 PolarHBondContact O-N 2.75Å; V104-W111 HydrophobicContact CG2-CD2 3.69Å; V104-W111 HydrophobicContact CG2-CE3 3.53Å; V104-W111 HydrophobicContact CG2-CH2 3.52Å; V104-W111 HydrophobicContact CG2-CZ2 3.71Å; V104-W111 HydrophobicContact CG2-CZ3 3.45Å; V104-W111 VanDerWaalsContact CG2-CZ3 3.45Å; P109-W111 HydrophobicContact CG-CZ2 4.4Å; W111-R113 HydrophobicContact CB-CG 4.18Å; W111-R113 VanDerWaalsContact CD2-NH2 3.28Å
112K94Very high88.6Confident127 Ų12776.5 Ų76.555%0.55236%0.36SS*.EExtended strand (participates in β ladder)trans-90.5124.5164-167.5169.3-177.5166.70108.8F95F95-K112 HydrophobicContact CD2-CD 4.32Å; F95-K112 HydrophobicContact CE2-CD 4.45Å
113R93.2Very high87.1Confident39 Ų3978 Ų7815%0.14738%0.375CS..EExtended strand (participates in β ladder)trans-133.1149.8-176.3-65.9-64.6178.6-107.61.4111.4W74 S99 V100 V102 W111 Q117 L118W74-R113 PolarHBondContact O-NE 2.97Å; W74-R113 VanDerWaalsContact O-NE 3.1Å; S99-R113 WeakPolarHBondContact CA-O 3.36Å; V100-R113 PolarHBondContact N-O 2.92Å; V100-R113 PolarHBondContact O-N 3.33Å; V102-R113 HydrophobicContact CG2-CG 4.18Å; W111-R113 HydrophobicContact CB-CG 4.18Å; W111-R113 VanDerWaalsContact CD2-NH2 3.28Å; R113-Q117 HydrophobicContact CB-CB 4.3Å; R113-L118 HydrophobicContact CB-CD2 3.9Å; R113-L118 HydrophobicContact CB-CG 4.17Å; R113-L118 HydrophobicContact CG-CD2 4.26Å
114H92.6Very high85.4Confident49 Ų4977.4 Ų77.423%0.22738%0.383CS..EExtended strand (participates in β ladder)trans-76.2151.5167.2-173.8-111.3000109.3R98 E116 Q117R98-H114 WeakPolarHBondContact CD-NE2 3.43Å; R98-H114 CarbonylContact O-C 3.56Å; R98-H114 WeakPolarHBondContact O-CA 3.09Å; R98-H114 PolarHBondContact O-CD2 3.37Å; H114-E116 IonicContact CE1-OE1 3.66Å; H114-E116 IonicContact CE1-OE2 3.48Å; H114-E116 PolarHBondContact CE1-OE2 2.99Å; H114-E116 WeakPolarHBondContact ND1-CB 3.33Å; H114-E116 WeakPolarHBondContact ND1-CG 3.25Å; H114-E116 PolarHBondContact ND1-N 3.25Å; H114-E116 IonicContact ND1-OE2 3.45Å; H114-E116 PolarHBondContact ND1-OE2 3.14Å; H114-E116 PolarHBondContact O-N 2.83Å; H114-E116 VanDerWaalsContact O-N 3.13Å; H114-Q117 HydrophobicContact CB-CG 4.34Å; H114-Q117 VanDerWaalsContact N-OE1 3.17Å; H114-Q117 WeakPolarHBondContact O-CA 3.34Å; H114-Q117 WeakPolarHBondContact O-CB 3.47Å; H114-Q117 PolarHBondContact O-N 3.23Å
115I90Very high83.7Confident30 Ų3084.9 Ų84.915%0.15442%0.417CS..G310 helixtrans-55.4-30.5178.353170.2000113.3Y65 R98 V100 Q117 L118Y65-I115 HydrophobicContact CD2-CG2 3.83Å; Y65-I115 HydrophobicContact CE2-CB 4.06Å; Y65-I115 HydrophobicContact CE2-CG2 3.87Å; R98-I115 HydrophobicContact CB-CD1 4.21Å; R98-I115 HydrophobicContact CB-CG1 4.14Å; R98-I115 HydrophobicContact CG-CD1 3.97Å; R98-I115 HydrophobicContact CG-CG1 4.41Å; R98-I115 PolarHBondContact O-N 3.37Å; V100-I115 HydrophobicContact CG2-CG2 4.11Å; I115-Q117 PolarHBondContact O-N 3.48Å; I115-L118 PolarHBondContact O-N 3.47Å
116E89.5Confident82.2Confident147 Ų14790.8 Ų90.869%0.68744%0.438SS*.G310 helixtrans-73-16.2176.6-66.8169.2-178.400113.2H114 L118H114-E116 IonicContact CE1-OE1 3.66Å; H114-E116 IonicContact CE1-OE2 3.48Å; H114-E116 PolarHBondContact CE1-OE2 2.99Å; H114-E116 WeakPolarHBondContact ND1-CB 3.33Å; H114-E116 WeakPolarHBondContact ND1-CG 3.25Å; H114-E116 PolarHBondContact ND1-N 3.25Å; H114-E116 IonicContact ND1-OE2 3.45Å; H114-E116 PolarHBondContact ND1-OE2 3.14Å; H114-E116 PolarHBondContact O-N 2.83Å; H114-E116 VanDerWaalsContact O-N 3.13Å; E116-L118 VanDerWaalsContact C-N 3.29Å
117Q91.2Very high81.2Confident68 Ų6889.5 Ų89.532%0.31842%0.424SS..G310 helixtrans-949.2174.9-60.8176.5-37.400111.9W74 W86 R113 H114 I115W74-Q117 HydrophobicContact CB-CB 4.11Å; W74-Q117 PolarHBondContact N-O 2.83Å; W86-Q117 WeakPolarHBondContact CZ3-O 3.28Å; R113-Q117 HydrophobicContact CB-CB 4.3Å; H114-Q117 HydrophobicContact CB-CG 4.34Å; H114-Q117 VanDerWaalsContact N-OE1 3.17Å; H114-Q117 WeakPolarHBondContact O-CA 3.34Å; H114-Q117 WeakPolarHBondContact O-CB 3.47Å; H114-Q117 PolarHBondContact O-N 3.23Å; I115-Q117 PolarHBondContact O-N 3.48Å
118L91.7Very high79.9Confident8 Ų882.4 Ų82.44%0.04241%0.414CS..EExtended strand (participates in β ladder)trans-120.6149177.7-61.1-178.8000109.7Y65 Y72 A73 V100 V102 R113 I115 E116Y65-L118 HydrophobicContact CD1-CD1 4.4Å; Y65-L118 HydrophobicContact CD2-CD1 4.41Å; Y65-L118 HydrophobicContact CE1-CB 3.96Å; Y65-L118 HydrophobicContact CE1-CD1 4.25Å; Y65-L118 HydrophobicContact CE2-CB 4.17Å; Y65-L118 HydrophobicContact CE2-CD1 4.26Å; Y65-L118 HydrophobicContact CG-CD1 4.48Å; Y65-L118 WeakPolarHBondContact OH-CB 3.46Å; Y65-L118 PolarHBondContact OH-O 3.02Å; Y72-L118 CarbonylContact O-C 3.52Å; Y72-L118 VanDerWaalsContact O-CA 3.29Å; Y72-L118 WeakPolarHBondContact O-CA 3.46Å; A73-L118 HydrophobicContact CB-CD2 3.74Å; V100-L118 HydrophobicContact CB-CD1 3.81Å; V100-L118 HydrophobicContact CG1-CD1 4.13Å; V100-L118 HydrophobicContact CG2-CD1 4.21Å; V102-L118 HydrophobicContact CG1-CD1 4.01Å; V102-L118 HydrophobicContact CG1-CD2 3.87Å; V102-L118 HydrophobicContact CG2-CD2 4.34Å; R113-L118 HydrophobicContact CB-CD2 3.9Å; R113-L118 HydrophobicContact CB-CG 4.17Å; R113-L118 HydrophobicContact CG-CD2 4.26Å; I115-L118 PolarHBondContact O-N 3.47Å; E116-L118 VanDerWaalsContact C-N 3.29Å
119R90.2Very high78Confident147 Ų14787.1 Ų87.156%0.55543%0.433SS*.EExtended strand (participates in β ladder)trans-129.1138.6167.9-74.2179176.3-178.1-0.5108.5C71 Y72 W86C71-R119 CarbonylContact C-O 3.41Å; C71-R119 WeakPolarHBondContact CA-O 3.19Å; C71-R119 WeakPolarHBondContact CB-O 3.44Å; Y72-R119 PolarHBondContact N-O 3.42Å; Y72-R119 PolarHBondContact O-N 2.86Å; W86-R119 HydrophobicContact CE3-CB 4.44Å; W86-R119 HydrophobicContact CE3-CG 4.23Å; W86-R119 HydrophobicContact CH2-CG 3.63Å; W86-R119 HydrophobicContact CZ2-CG 4Å; W86-R119 HydrophobicContact CZ3-CB 4.2Å; W86-R119 HydrophobicContact CZ3-CG 3.74Å
120L89.3Confident76Confident36 Ų3688.4 Ų88.419%0.18844%0.442CS..EExtended strand (participates in β ladder)trans-63.4141.6172.7-71.4175.1000109.3H63 Y65 T69 Y122H63-L120 HydrophobicContact CB-CD1 3.93Å; H63-L120 HydrophobicContact CB-CG 4.35Å; H63-L120 WeakPolarHBondContact CD2-CD1 3.46Å; Y65-L120 HydrophobicContact CD1-CD2 3.83Å; Y65-L120 HydrophobicContact CE1-CD2 3.54Å; Y65-L120 HydrophobicContact CE1-CG 4.09Å; T69-L120 HydrophobicContact CG2-CD2 3.62Å; L120-Y122 HydrophobicContact CB-CD2 4.5Å; L120-Y122 HydrophobicContact CB-CE2 3.89Å; L120-Y122 HydrophobicContact CD1-CE1 4.47Å; L120-Y122 HydrophobicContact CD1-CE2 4.42Å; L120-Y122 WeakPolarHBondContact CD1-OH 3.46Å
121R84.4Confident73.6Confident40 Ų4086.9 Ų86.915%0.15145%0.449CS..  trans-112.1108.5172.6179.4174.4179.7-119.99.1106.3P70 Y72 D127P70-R121 HydrophobicContact CB-CB 4.26Å; P70-R121 WeakPolarHBondContact CG-O 3.07Å; P70-R121 PolarHBondContact O-N 2.84Å; P70-R121 VanDerWaalsContact O-N 3.12Å; Y72-R121 HydrophobicContact CD2-CB 3.94Å; Y72-R121 HydrophobicContact CD2-CG 4.26Å; Y72-R121 HydrophobicContact CE2-CB 3.75Å; Y72-R121 HydrophobicContact CE2-CG 3.59Å; Y72-R121 VanDerWaalsContact CZ-CD 3.5Å; Y72-R121 PolarHBondContact OH-NE 3.46Å; R121-D127 IonicContact CZ-OD2 3.24Å; R121-D127 VanDerWaalsContact CZ-OD2 3.24Å; R121-D127 IonicContact NE-OD2 2.96Å; R121-D127 PolarHBondContact NE-OD2 2.99Å; R121-D127 IonicContact NH2-OD2 2.7Å; R121-D127 PolarHBondContact NH2-OD2 3.09Å
122Y73.5Confident71.2Confident177 Ų17792.3 Ų92.369%0.69448%0.48SS*.  trans-88.6132171-58.1-80.5000106.7L120L120-Y122 HydrophobicContact CB-CD2 4.5Å; L120-Y122 HydrophobicContact CB-CE2 3.89Å; L120-Y122 HydrophobicContact CD1-CE1 4.47Å; L120-Y122 HydrophobicContact CD1-CE2 4.42Å; L120-Y122 WeakPolarHBondContact CD1-OH 3.46Å
123G62.5Low68.7Low32 Ų3293.7 Ų93.733%0.3349%0.493SS..  trans86102.5-17600000113.3E125G123-E125 VanDerWaalsContact C-N 3.32Å
124V58.5Low66.3Low90 Ų9097.4 Ų97.455%0.54552%0.521SS..SBendtrans-81.9-21.5163176.20000110.4P70P70-V124 HydrophobicContact CB-CG2 4Å; P70-V124 HydrophobicContact CG-CG2 3.92Å
125E54Low63.9Low170 Ų170101 Ų10179%0.79455%0.546SS*.SBendtrans-77.5-32.8-178.8-71.8-76.9128.900113.7G123 D127 A128G123-E125 VanDerWaalsContact C-N 3.32Å; E125-D127 PolarHBondContact O-N 3.04Å; E125-A128 PolarHBondContact O-N 2.65Å
126E52.1Low61.5Low162 Ų162108.3 Ų108.376%0.75758%0.579SS**G310 helixtrans-78.3-17.9-168.8-66179.5173.200114.9A128E126-A128 VanDerWaalsContact C-N 3.34Å
127D56.6Low59.4Low96 Ų96105.8 Ų105.851%0.51358%0.578SS.*G310 helixtrans-90.40.6178.4-93.8-21.3000112.7Y72 R121 E125Y72-D127 PolarHBondContact OH-OD2 3.22Å; R121-D127 IonicContact CZ-OD2 3.24Å; R121-D127 VanDerWaalsContact CZ-OD2 3.24Å; R121-D127 IonicContact NE-OD2 2.96Å; R121-D127 PolarHBondContact NE-OD2 2.99Å; R121-D127 IonicContact NH2-OD2 2.7Å; R121-D127 PolarHBondContact NH2-OD2 3.09Å; E125-D127 PolarHBondContact O-N 3.04Å
128A54.7Low56.9Low77 Ų77109.9 Ų109.964%0.63660%0.597SS**G310 helixtrans-100.39.7178.400000113E125 E126 P130E125-A128 PolarHBondContact O-N 2.65Å; E126-A128 VanDerWaalsContact C-N 3.34Å; A128-P130 WeakPolarHBondContact O-CD 3.45Å
129D43.1Very low54.6Low123 Ų123116.6 Ų116.666%0.65863%0.632SS**  trans-89.2101.3172.7-156.99.7000109.2G131D129-G131 PolarHBondContact O-N 3.15Å
130P49.5Very low52.5Low105 Ų105117 Ų11768%0.68264%0.643SS**  trans-63.8107165.728.8-30.4000105.6A128 L132A128-P130 WeakPolarHBondContact O-CD 3.45Å; P130-L132 PolarHBondContact O-N 3.17Å
131G43.1Very low50.2Low63 Ų63121.6 Ų121.665%0.64967%0.673SS**  trans-43.3112.2176.800000108.9D129 D133D129-G131 PolarHBondContact O-N 3.15Å; G131-D133 PolarHBondContact O-N 3.19Å
132L42.3Very low48.1Very low153 Ų153126 Ų12680%0.80170%0.704SS**  trans-46.7115.4179-86.7154.4000107.3P130 T134P130-L132 PolarHBondContact O-N 3.17Å; L132-T134 PolarHBondContact O-N 3.26Å
133D40.9Very low46.6Very low155 Ų155122.4 Ų122.483%0.82971%0.711SS**  trans-53.991.8163.5-71.4-47.2000106.1G131 T135G131-D133 PolarHBondContact O-N 3.19Å; D133-T135 PolarHBondContact O-N 3.26Å
134T43Very low45.4Very low118 Ų118126.9 Ų126.972%0.72473%0.732SS**  trans-7193168.1-60.20000103.6L132 H136L132-T134 PolarHBondContact O-N 3.26Å; T134-H136 VanDerWaalsContact C-N 3.31Å; T134-H136 PolarHBondContact O-N 3.45Å
135T41.2Very low44.9Very low124 Ų124130.6 Ų130.676%0.76175%0.748SS**  trans-37.4100.3162.1-38.50000107.1D133 S137D133-T135 PolarHBondContact O-N 3.26Å; T135-S137 PolarHBondContact O-N 2.97Å
136H40.8Very low44.4Very low184 Ų184128.5 Ų128.585%0.85274%0.742SS**  trans-65.686.4167.1-105-62.5000105.6T134 H138T134-H136 VanDerWaalsContact C-N 3.31Å; T134-H136 PolarHBondContact O-N 3.45Å; H136-H138 PolarHBondContact O-N 3.2Å
137S43.9Very low43.8Very low94 Ų94125.2 Ų125.266%0.65774%0.737SS**  trans-60105.2163.3-170.40000106.1T135 D139T135-S137 PolarHBondContact O-N 2.97Å; S137-D139 PolarHBondContact O-N 2.96Å
138H39.4Very low43Very low154 Ų154131.3 Ų131.371%0.71376%0.759SS**  trans-68.193.3172.5179.9-74.2000107.9H136H136-H138 PolarHBondContact O-N 3.2Å
139D44.1Very low42.5Very low148 Ų148133.3 Ų133.379%0.79177%0.768SS**  trans-118.6123.1162-98-31.9000110.4S137S137-D139 PolarHBondContact O-N 2.96Å
140M45.4Very low42Very low156 Ų156131.4 Ų131.477%0.76877%0.77SS**  trans-55.6136.8175.2-69.1-133.5162.300110.9
141T41.5Very low41.8Very low133 Ų133133 Ų13382%0.81678%0.777SS**  -164.2125.4128.9-66.20000110.2
142T39.4Very low41.6Very low133 Ų133134.2 Ų134.282%0.81678%0.781SS**  trans-39.1133.8167.542.60000117.1
143A42.9Very low41.6Very low101 Ų101133.4 Ų133.484%0.83578%0.783SS**  trans-170.4116.8135.700000112.5
144T37.9Very low41.6Very low125 Ų125134.1 Ų134.177%0.76779%0.787SS**  trans-51.9133.8166.4-52.40000113.7
145L47.6Very low41.5Very low169 Ų169132.1 Ų132.189%0.88579%0.789SS**  trans-165.2143.6135.7-112.7145.7000113.1
146D42.6Very low41.4Very low126 Ų126136.2 Ų136.267%0.67480%0.796SS**  trans-71.7153-160.9-84.2-60.4000117.4
147S40.2Very low41.3Very low92 Ų92132.5 Ų132.564%0.64380%0.798SS**  trans46.5120.8131.6-61.70000120
148F40.6Very low41.3Very low224 Ų224132.8 Ų132.898%0.98281%0.806SS**  -148.4143123.6-84.1-67.8000111.9
149S42.5Very low41.7Very low119 Ų119135 Ų13583%0.83282%0.816SS**  trans-91.3166.6-162-167.10000113.9
150A33.6Very low41.8Very low83 Ų83135.3 Ų135.369%0.68682%0.818SS**  trans-43.6149.7178.500000117.8
151V44Very low41.8Very low138 Ų138131.1 Ų131.184%0.83681%0.808SS**  trans-148.2126.5132.6174.80000109.6
152A40.5Very low42Very low89 Ų89130.2 Ų130.274%0.73681%0.807SS**  trans-85.2143.517000000111.2
153T42.2Very low42.6Very low136 Ų136131.8 Ų131.883%0.83481%0.805SS**  trans-135.8110.4158.546.90000110.6
154N40.3Very low43Very low171 Ų171137.6 Ų137.691%0.91481%0.806SS**  trans-62.2146163.7-80.1-40000111.1
155G40.1Very low43.4Very low75 Ų75137 Ų13777%0.77380%0.804SS**  trans-174.481.5173.200000116.6
156K40.9Very low43.8Very low210 Ų210137 Ų13791%0.91380%0.803SS**  trans67.4109.2153-79.1177.4172173.20119.9
157A38.3Very low44.6Very low107 Ų107136.1 Ų136.188%0.88480%0.802SS**PPolyproline II helixtrans-61.6133.2153.200000111.1
158A43Very low45.6Very low100 Ų100136.6 Ų136.683%0.82680%0.803SS**PPolyproline II helixtrans-103.3130.9164.200000108.3
159E47.6Very low46.6Very low199 Ų199135.2 Ų135.293%0.9379%0.791SS**PPolyproline II helixtrans-57.8142-169.2-74.2174.6122.200114.6
160D46.1Very low47.8Very low156 Ų156136 Ų13683%0.83479%0.786SS**PPolyproline II helixtrans-68.1140.4-179.7-146.3-11.9000111.6S162D160-S162 PolarHBondContact O-N 3.36Å
161A46.4Very low49.5Very low67 Ų67137.9 Ų137.955%0.55478%0.776SS**PPolyproline II helixtrans-67.3127.1-178.200000110.7H163A161-H163 PolarHBondContact O-N 3.16Å
162S45.5Very low50.8Low114 Ų114132.9 Ų132.980%0.79775%0.753SS**  trans-58.481.9168.2161.20000111.3D160 R164D160-S162 PolarHBondContact O-N 3.36Å; S162-R164 PolarHBondContact O-N 3.06Å
163H51.9Low52.3Low167 Ų167134.6 Ų134.677%0.77376%0.757SS**  trans-72.997.5162.7-80.5-76.6000108.7A161A161-H163 PolarHBondContact O-N 3.16Å
164R51.8Low53.8Low223 Ų223136 Ų13684%0.84276%0.759SS**  trans-61129.3162.8-76.1-173.3178.5-164.1-1.1108.3S162 I166S162-R164 PolarHBondContact O-N 3.06Å; R164-I166 PolarHBondContact O-N 3.33Å
165P45.9Very low55.4Low113 Ų113131.4 Ų131.473%0.73473%0.734SS**  trans-61.6124.2175.623.1-30.5000109.2T167P165-T167 PolarHBondContact O-N 3.24Å
166I56.4Low57.1Low167 Ų167128.9 Ų128.986%0.85670%0.704SS**  trans-67.591166.6-61.6170.9000105.7R164 P168R164-I166 PolarHBondContact O-N 3.33Å; I166-P168 WeakPolarHBondContact O-CD 3.48Å
167T59.1Low58.6Low109 Ų109126.2 Ų126.267%0.66969%0.688SS**  trans-60.3123.6169.648.90000107.8P165 R169P165-T167 PolarHBondContact O-N 3.24Å; T167-R169 PolarHBondContact O-N 3.49Å; T167-R169 VanDerWaalsContact O-N 3.09Å
168P61.8Low60.4Low101 Ų101130.6 Ų130.666%0.65668%0.682SS**  trans-57.4121.717123.9-30.8000107.1I166 N170I166-P168 WeakPolarHBondContact O-CD 3.48Å; P168-N170 VanDerWaalsContact C-N 3.3Å; P168-N170 PolarHBondContact O-N 2.91Å
169R61.7Low62.1Low196 Ų196128.9 Ų128.974%0.7466%0.664SS**  trans-61100.2170.4-87-177.3174.8-174.4-1.5106.9T167 Y171T167-R169 PolarHBondContact O-N 3.49Å; T167-R169 VanDerWaalsContact O-N 3.09Å; R169-Y171 HydrophobicContact CB-CE1 4.47Å; R169-Y171 HydrophobicContact CB-CE2 4.08Å; R169-Y171 WeakPolarHBondContact O-CD2 3.49Å; R169-Y171 WeakPolarHBondContact O-CE2 3.26Å; R169-Y171 PolarHBondContact O-N 3.3Å
170N67.2Low63.4Low134 Ų134125.6 Ų125.672%0.71765%0.647SS**  trans-63.3102.8174-71.4-24.1000108P168 G172P168-N170 VanDerWaalsContact C-N 3.3Å; P168-N170 PolarHBondContact O-N 2.91Å; N170-G172 PolarHBondContact O-N 3.42Å
171Y69.5Low65.1Low123 Ų123124.3 Ų124.348%0.48263%0.63SS.*  trans-84100.6172.1-63.4-73000107.6R169 R177R169-Y171 HydrophobicContact CB-CE1 4.47Å; R169-Y171 HydrophobicContact CB-CE2 4.08Å; R169-Y171 WeakPolarHBondContact O-CD2 3.49Å; R169-Y171 WeakPolarHBondContact O-CE2 3.26Å; R169-Y171 PolarHBondContact O-N 3.3Å; Y171-R177 HydrophobicContact CD1-CB 3.73Å; Y171-R177 HydrophobicContact CD1-CG 4.22Å; Y171-R177 HydrophobicContact CE1-CB 3.91Å; Y171-R177 HydrophobicContact CE1-CG 3.92Å; Y171-R177 HydrophobicContact CE2-CG 4.46Å; Y171-R177 HydrophobicContact CG-CB 4.15Å
172G70.3Confident66.5Low33 Ų33125.2 Ų125.234%0.3463%0.625SS.*  trans-104.6178.917300000112.3N170 D174 N175N170-G172 PolarHBondContact O-N 3.42Å; G172-D174 PolarHBondContact O-N 3.3Å; G172-N175 CarbonylContact O-C 3.34Å; G172-N175 VanDerWaalsContact O-C 3.26Å; G172-N175 PolarHBondContact O-N 3.03Å
173P71.6Confident68Low126 Ų126126 Ų12682%0.81862%0.616SS**THydrogen-bonded Turntrans-50.9-38.6171.6-23.132.9000112.3
174D74.4Confident69.1Low164 Ų164123 Ų12388%0.87760%0.602SS**THydrogen-bonded Turntrans-79.8-12.1-179.8-58.9-41.2000114.4G172G172-D174 PolarHBondContact O-N 3.3Å
175N73.8Confident70.3Confident76 Ų76118.7 Ų118.741%0.40659%0.59SS.*SBendtrans-138.470.3177.3-164.86.6000111.6G172 R177 R181G172-N175 CarbonylContact O-C 3.34Å; G172-N175 VanDerWaalsContact O-C 3.26Å; G172-N175 PolarHBondContact O-N 3.03Å; N175-R177 PolarHBondContact O-N 3.39Å; N175-R181 PolarHBondContact OD1-NH2 2.89Å
176P75.2Confident71.7Confident21 Ų21122.9 Ų122.914%0.13659%0.591CS.*  trans-62.9139.5-177.123.6-32.4000111.2K180 R181P176-K180 HydrophobicContact CB-CB 3.91Å; P176-R181 HydrophobicContact CG-CG 4.43Å; P176-R181 PolarHBondContact O-NE 2.65Å; P176-R181 PolarHBondContact O-NH2 2.96Å
177R72.7Confident72.5Confident155 Ų155118.8 Ų118.859%0.58558%0.582SS**  trans-51.4144.9170.8-167.1172.8-177.7-175.40.5109.6Y171 N175 S179 K180 R181Y171-R177 HydrophobicContact CD1-CB 3.73Å; Y171-R177 HydrophobicContact CD1-CG 4.22Å; Y171-R177 HydrophobicContact CE1-CB 3.91Å; Y171-R177 HydrophobicContact CE1-CG 3.92Å; Y171-R177 HydrophobicContact CE2-CG 4.46Å; Y171-R177 HydrophobicContact CG-CB 4.15Å; N175-R177 PolarHBondContact O-N 3.39Å; R177-S179 PolarHBondContact O-N 3.18Å; R177-K180 WeakPolarHBondContact O-CA 3.14Å; R177-K180 PolarHBondContact O-N 3.37Å; R177-R181 PolarHBondContact O-N 3.42Å
178R76.4Confident73Confident199 Ų199119.9 Ų119.975%0.75158%0.584SS**Hα-helixtrans-47.7-37.6-175.1-173.6-179.5-177.5-121.11.4113.5R181 L182R178-R181 PolarHBondContact O-N 3.4Å; R178-L182 PolarHBondContact O-N 3.17Å; R178-L182 VanDerWaalsContact O-N 3.09Å
179S78.7Confident73Confident64 Ų64120.4 Ų120.445%0.44858%0.577SS.*Hα-helixtrans-60.3-47.717550.10000112.8R177 L182 Q183R177-S179 PolarHBondContact O-N 3.18Å; S179-L182 PolarHBondContact O-N 3.1Å; S179-Q183 PolarHBondContact O-N 3.13Å
180K76Confident72.6Confident130 Ų130117.5 Ų117.557%0.56558%0.584SS**Hα-helixtrans-66-37.1175.9-76.7-157.3174.2-170.50112.4P176 R177 L182 Q183 Q184P176-K180 HydrophobicContact CB-CB 3.91Å; R177-K180 WeakPolarHBondContact O-CA 3.14Å; R177-K180 PolarHBondContact O-N 3.37Å; K180-L182 VanDerWaalsContact C-N 3.31Å; K180-L182 PolarHBondContact O-N 2.92Å; K180-Q183 PolarHBondContact O-N 3.06Å; K180-Q184 PolarHBondContact O-N 3.45Å
181R80.6Confident72.2Confident129 Ų129114.7 Ų114.749%0.48759%0.586SS.*Hα-helixtrans-62.8-37.5176.9-148.4179.9-52.4-154-4.1112.3N175 P176 R177 R178 K185N175-R181 PolarHBondContact OD1-NH2 2.89Å; P176-R181 HydrophobicContact CG-CG 4.43Å; P176-R181 PolarHBondContact O-NE 2.65Å; P176-R181 PolarHBondContact O-NH2 2.96Å; R177-R181 PolarHBondContact O-N 3.42Å; R178-R181 PolarHBondContact O-N 3.4Å; R181-K185 WeakPolarHBondContact O-CB 3.47Å; R181-K185 PolarHBondContact O-N 3.32Å
182L76.2Confident71.2Confident85 Ų85112 Ų11245%0.44559%0.59SS.*Hα-helixtrans-67.9-39.1173.4-82.9161.8000112.2R178 S179 K180 K185 R186R178-L182 PolarHBondContact O-N 3.17Å; R178-L182 VanDerWaalsContact O-N 3.09Å; S179-L182 PolarHBondContact O-N 3.1Å; K180-L182 VanDerWaalsContact C-N 3.31Å; K180-L182 PolarHBondContact O-N 2.92Å; L182-K185 PolarHBondContact O-N 2.95Å; L182-R186 WeakPolarHBondContact O-CG 3.4Å; L182-R186 PolarHBondContact O-N 2.98Å
183Q76.6Confident70.4Confident131 Ų131115.8 Ų115.861%0.61261%0.609SS**Hα-helixtrans-65.1-46.1175.1-72.6176-23.700111.8S179 K180 K185 R186 A187S179-Q183 PolarHBondContact O-N 3.13Å; K180-Q183 PolarHBondContact O-N 3.06Å; Q183-K185 VanDerWaalsContact C-N 3.32Å; Q183-K185 PolarHBondContact O-N 3.45Å; Q183-R186 PolarHBondContact O-N 3.46Å; Q183-A187 PolarHBondContact O-N 3.46Å
184Q76.4Confident68.9Low103 Ų103115.1 Ų115.148%0.48161%0.607SS.*Hα-helixtrans-60.1-41.2175.1-77.4176.1-20.700111.9K180 R186 A187 N188K180-Q184 PolarHBondContact O-N 3.45Å; Q184-R186 VanDerWaalsContact C-N 3.34Å; Q184-R186 PolarHBondContact O-N 3.42Å; Q184-A187 PolarHBondContact O-N 3.17Å; Q184-N188 WeakPolarHBondContact O-CB 3.47Å; Q184-N188 PolarHBondContact O-N 3.21Å
185K77Confident68Low134 Ų134113.6 Ų113.658%0.58360%0.603SS**Hα-helixtrans-61.5-43175.3-168.8179.9178.9-172.10111.7R181 L182 Q183 A187 N188 E189R181-K185 WeakPolarHBondContact O-CB 3.47Å; R181-K185 PolarHBondContact O-N 3.32Å; L182-K185 PolarHBondContact O-N 2.95Å; Q183-K185 VanDerWaalsContact C-N 3.32Å; Q183-K185 PolarHBondContact O-N 3.45Å; K185-A187 VanDerWaalsContact C-N 3.3Å; K185-A187 PolarHBondContact O-N 3.05Å; K185-N188 PolarHBondContact O-N 3.35Å; K185-E189 WeakPolarHBondContact CE-OE1 3.25Å; K185-E189 VanDerWaalsContact O-CG 3.25Å; K185-E189 WeakPolarHBondContact O-CG 3.48Å; K185-E189 PolarHBondContact O-N 3.42Å
186R74.2Confident66.6Low201 Ų201114.2 Ų114.276%0.75862%0.619SS**Hα-helixtrans-65.7-31.4176.2-73179.3178.7-171.9-1.8113.1L182 Q183 Q184L182-R186 WeakPolarHBondContact O-CG 3.4Å; L182-R186 PolarHBondContact O-N 2.98Å; Q183-R186 PolarHBondContact O-N 3.46Å; Q184-R186 VanDerWaalsContact C-N 3.34Å; Q184-R186 PolarHBondContact O-N 3.42Å
187A73.7Confident65.2Low80 Ų80116 Ų11666%0.66164%0.641SS**Hα-helixtrans-77.4-29.9178.200000113.3Q183 Q184 K185Q183-A187 PolarHBondContact O-N 3.46Å; Q184-A187 PolarHBondContact O-N 3.17Å; K185-A187 VanDerWaalsContact C-N 3.3Å; K185-A187 PolarHBondContact O-N 3.05Å
188N68.8Low64Low133 Ų133119.8 Ų119.871%0.71166%0.655SS**Hα-helixtrans-92.6-2.1-177.3-74-2.7000114.3Q184 K185 P190Q184-N188 WeakPolarHBondContact O-CB 3.47Å; Q184-N188 PolarHBondContact O-N 3.21Å; K185-N188 PolarHBondContact O-N 3.35Å; N188-P190 VanDerWaalsContact O-CD 3.24Å; N188-P190 WeakPolarHBondContact O-CD 3.24Å
189E62Low62.6Low111 Ų111115.1 Ų115.152%0.51965%0.652SS.*SBendtrans-84.3111172.9-66.1-121.4164.200109.2K185 G191K185-E189 WeakPolarHBondContact CE-OE1 3.25Å; K185-E189 VanDerWaalsContact O-CG 3.25Å; K185-E189 WeakPolarHBondContact O-CG 3.48Å; K185-E189 PolarHBondContact O-N 3.42Å; E189-G191 PolarHBondContact O-N 3.06Å
190P52.6Low61.2Low135 Ų135118 Ų11888%0.87767%0.671SS**THydrogen-bonded Turntrans-70.2106.2173.229.7-30000107.7N188N188-P190 VanDerWaalsContact O-CD 3.24Å; N188-P190 WeakPolarHBondContact O-CD 3.24Å
191G59.3Low59.6Low75 Ų75115.6 Ų115.677%0.77368%0.683SS**THydrogen-bonded Turntrans124.210.5171.600000117.5E189 P193E189-G191 PolarHBondContact O-N 3.06Å; G191-P193 WeakPolarHBondContact O-CD 3.37Å
192A48.9Very low58.1Low68 Ų68119.5 Ų119.556%0.56273%0.728SS**  trans-80.4118.9173.300000111.2S194A192-S194 PolarHBondContact O-N 2.91Å
193P53Low57.2Low112 Ų112121.3 Ų121.373%0.72774%0.742SS**  trans-65.2130.3176.225.8-32.1000110.4G191 V195G191-P193 WeakPolarHBondContact O-CD 3.37Å; P193-V195 PolarHBondContact O-N 3.37Å
194S41.4Very low56.2Low111 Ų111120.7 Ų120.778%0.77675%0.748SS**  trans-59.192.9169.2163.60000110A192 A196A192-S194 PolarHBondContact O-N 2.91Å; S194-A196 PolarHBondContact O-N 3.07Å; S194-A196 VanDerWaalsContact O-N 3.07Å
195V54.1Low55.1Low133 Ų133121.7 Ų121.781%0.80676%0.763SS**  trans-84.274.2165.3-1730000108P193P193-V195 PolarHBondContact O-N 3.37Å
196A44.4Very low53.8Low88 Ų88121 Ų12173%0.72777%0.774SS**  trans-95.3125.8155.700000106.9S194S194-A196 PolarHBondContact O-N 3.07Å; S194-A196 VanDerWaalsContact O-N 3.07Å
197G46.8Very low52.5Low58 Ų58116 Ų11660%0.59878%0.775SS**  trans105.6147.9179.100000112.4
198R47.4Very low51.1Low235 Ų235118.4 Ų118.489%0.88778%0.782SS**  cis-177.4152.6-4.8-131.6179.2-140.7-150.25.4104.1
199C45.9Very low49.8Very low101 Ų101117.4 Ų117.468%0.68279%0.788SS**  trans77.2113.8155.6-53.60000118.2
200C49.8Very low48.9Very low126 Ų126117.8 Ų117.885%0.85181%0.808SS**  80.8119.2100.5-63.50000111.4
201G43.6Very low48.6Very low79 Ų79116.4 Ų116.481%0.81480%0.803SS**  96.29355.200000107.4
202C48.6Very low47.6Very low211 Ų211120.2 Ų120.2100%1.42681%0.805SS**  trans-111.80158.1-68.10000107.2

Retrieved 202 of 202 residues in 247.7 ms (Link to these results)

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