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S-(hydroxymethyl)glutathione dehydrogenase

Catalyzes the oxidation of long-chain primary alcohols and the oxidation of S-(hydroxymethyl) glutathione. Also oxidizes long chain omega-hydroxy fatty acids, such as 20-HETE, producing both the intermediate aldehyde, 20-oxoarachidonate and the end product, a dicarboxylic acid, (5Z,8Z,11Z,14Z)-eicosatetraenedioate. Class-III ADH is remarkably ineffective in oxidizing ethanol. Required for clearance of cellular formaldehyde, a cytotoxic and carcinogenic metabolite that induces DNA damage. Also acts as a S-nitroso-glutathione reductase by catalyzing the NADH-dependent reduction of S-nitrosoglutathione, thereby regulating protein S-nitrosylation.

AlphaFold DB , UniProt , Accession A0A061ILB4, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene Adh5, Length 374 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
1M45.3Very low88.3Confident232 Ų23279.3 Ų79.3100%1.14341%0.405SS*.  0141.40-61.6177.9-154.300106.7N3M1-N3 PolarHBondContact O-N 2.84Å
2A58.5Low89.2Confident84 Ų8472.7 Ų72.769%0.69437%0.371SS*.  trans-58.4133.9175.900000109.1Q4A2-Q4 PolarHBondContact O-N 2.98Å
3N81.6Confident90Very high61 Ų6167.1 Ų67.133%0.32634%0.342SS..  trans-63.9100.1178.7-66.2-14.5000108.4M1 P29 S75 V76M1-N3 PolarHBondContact O-N 2.84Å; N3-P29 HydrophobicContact CB-CB 3.38Å; N3-P29 VanDerWaalsContact O-CB 3.25Å; N3-P29 WeakPolarHBondContact O-CB 3.33Å; N3-P29 WeakPolarHBondContact O-CG 3.28Å; N3-S75 VanDerWaalsContact OD1-CB 3.28Å; N3-S75 WeakPolarHBondContact OD1-CB 3.5Å; N3-V76 PolarHBondContact ND2-O 3.12Å
4Q95.6Very high90.6Very high144 Ų14466.9 Ų66.967%0.67334%0.335SS*.PPolyproline II helixtrans-94.1160.4178.5-70.9-177.6-3.200111A2 I6 R36A2-Q4 PolarHBondContact O-N 2.98Å; Q4-I6 PolarHBondContact O-N 2.83Å; Q4-R36 PolarHBondContact O-NH1 3.16Å; Q4-R36 PolarHBondContact O-NH2 3.43Å; Q4-R36 VanDerWaalsContact O-NH2 3.16Å
5V98.3Very high91.1Very high84 Ų8470.3 Ų70.351%0.50935%0.35SS..PPolyproline II helixtrans-60.3133.9168.11770000109.1E26 V27V5-E26 HydrophobicContact CG1-CB 3.89Å; V5-E26 HydrophobicContact CG1-CG 4.22Å; V5-V27 WeakPolarHBondContact CA-O 3.25Å
6I98.6Very high91.5Very high31 Ų3168.6 Ų68.616%0.15935%0.35CS..EExtended strand (participates in β ladder)trans-103.4135.3175.1-70.5177.4000108.8Q4 C8 E26 V27 R36 E74 Y149Q4-I6 PolarHBondContact O-N 2.83Å; I6-C8 HydrophobicContact CG2-CB 4.03Å; I6-E26 CarbonylContact O-C 3.51Å; I6-E26 WeakPolarHBondContact O-CA 3.28Å; I6-V27 HydrophobicContact CB-CB 4.47Å; I6-V27 PolarHBondContact N-O 3.39Å; I6-V27 PolarHBondContact O-N 3.46Å; I6-R36 VanDerWaalsContact CD1-CZ 3.44Å; I6-E74 HydrophobicContact CD1-CG 4.36Å; I6-Y149 HydrophobicContact CD1-CD1 3.86Å; I6-Y149 HydrophobicContact CD1-CE1 3.93Å; I6-Y149 HydrophobicContact CD1-CG 4.21Å; I6-Y149 HydrophobicContact CG2-CD2 3.74Å; I6-Y149 HydrophobicContact CG2-CE2 4.03Å; I6-Y149 HydrophobicContact CG2-CG 4.14Å
7R98.6Very high91.9Very high161 Ų16168.1 Ų68.161%0.60837%0.366SS*.EExtended strand (participates in β ladder)trans-97.8126.2165.4-71.6-178.8175.7-159.6-2.2109.2E24 V25 E26R7-E24 HydrophobicContact CB-CG 4.3Å; R7-E24 IonicContact NH1-OE1 3.52Å; R7-V25 WeakPolarHBondContact CA-O 3.31Å; R7-E26 HydrophobicContact CG-CG 3.96Å; R7-E26 IonicContact CZ-OE1 3.32Å; R7-E26 IonicContact NE-OE1 3.28Å; R7-E26 PolarHBondContact NE-OE1 3.41Å; R7-E26 IonicContact NH2-OE1 3.86Å; R7-E26 PolarHBondContact NH2-OE1 2.83Å
8C98.8Very high92.2Very high6 Ų671.1 Ų71.14%0.04138%0.375CS..EExtended strand (participates in β ladder)trans-153.4168.7-175.9720000112I6 E24 V25 V27 E148 Y149I6-C8 HydrophobicContact CG2-CB 4.03Å; C8-E24 WeakPolarHBondContact O-CA 3.24Å; C8-V25 PolarHBondContact N-O 3.07Å; C8-V25 PolarHBondContact O-N 3.45Å; C8-V27 VanDerWaalsContact SG-CG2 3.53Å; C8-E148 WeakPolarHBondContact CA-OE2 3.29Å; C8-E148 HydrophobicContact CB-CB 3.92Å; C8-E148 VanDerWaalsContact CB-OE2 3.29Å; C8-E148 WeakPolarHBondContact CB-OE2 3.39Å; C8-Y149 HydrophobicContact CB-CD2 3.77Å; C8-Y149 HydrophobicContact CB-CE2 4.39Å
9K98.7Very high92.6Very high69 Ų6972.1 Ų72.130%0.339%0.386SS..EExtended strand (participates in β ladder)trans-77.9137.4177.1-170.1-175.8-72.4-176.90110.9I22 E23 E148 F352 D353K9-I22 HydrophobicContact CD-CG2 3.61Å; K9-I22 HydrophobicContact CG-CG2 3.51Å; K9-E23 WeakPolarHBondContact CA-O 3.31Å; K9-E148 HydrophobicContact CB-CG 4.11Å; K9-E148 PolarHBondContact N-OE2 2.94Å; K9-E148 PolarHBondContact O-N 2.96Å; K9-F352 HydrophobicContact CD-CD1 3.86Å; K9-F352 HydrophobicContact CD-CE1 4.31Å; K9-F352 HydrophobicContact CG-CD1 4.18Å; K9-F352 HydrophobicContact CG-CE1 4.13Å; K9-D353 WeakPolarHBondContact CD-OD1 3.31Å; K9-D353 WeakPolarHBondContact CE-OD1 3.41Å; K9-D353 VanDerWaalsContact NZ-CG 3.31Å; K9-D353 IonicContact NZ-OD1 2.86Å; K9-D353 PolarHBondContact NZ-OD1 3.32Å; K9-D353 IonicContact NZ-OD2 3.37Å; K9-D353 PolarHBondContact NZ-OD2 3.24Å; K9-D353 VanDerWaalsContact NZ-OD2 3.12Å
10A98.9Very high92.9Very high0 Ų068.8 Ų68.80%037%0.369CS..EExtended strand (participates in β ladder)trans-143.3157.2169.500000111.8I22 E23 V25 I64 F146A10-I22 WeakPolarHBondContact O-CA 3.47Å; A10-E23 PolarHBondContact N-O 3.22Å; A10-E23 PolarHBondContact O-N 2.88Å; A10-V25 HydrophobicContact CB-CB 4.4Å; A10-V25 HydrophobicContact CB-CG1 3.83Å; A10-V25 HydrophobicContact CB-CG2 3.62Å; A10-I64 HydrophobicContact CB-CD1 3.76Å; A10-I64 HydrophobicContact CB-CG1 4.29Å; A10-F146 WeakPolarHBondContact CA-O 3.3Å
11A98.8Very high93.1Very high0 Ų067.6 Ų67.60%037%0.365CS..EExtended strand (participates in β ladder)trans-98.9105.6172.600000109.2L20 S21 I22 F146 F352 I355A11-L20 HydrophobicContact CB-CB 4.19Å; A11-L20 HydrophobicContact CB-CD1 4.13Å; A11-S21 CarbonylContact C-O 3.55Å; A11-S21 WeakPolarHBondContact CA-O 3.42Å; A11-I22 HydrophobicContact CB-CD1 3.83Å; A11-F146 HydrophobicContact CB-CB 4.16Å; A11-F146 PolarHBondContact N-O 2.89Å; A11-F352 HydrophobicContact CB-CE1 4.49Å; A11-F352 HydrophobicContact CB-CE2 4.32Å; A11-F352 HydrophobicContact CB-CZ 3.77Å; A11-I355 HydrophobicContact CB-CD1 3.86Å; A11-I355 HydrophobicContact CB-CG2 3.92Å
12V98.9Very high95.7Very high0 Ų059.3 Ų59.30%033%0.325CS..EExtended strand (participates in β ladder)trans-94.8126.5-174.9-175.10000109.9W14 S21 E23 V25 P62 I64 L137V12-W14 HydrophobicContact CG1-CD2 3.86Å; V12-W14 HydrophobicContact CG1-CE3 4.32Å; V12-W14 HydrophobicContact CG1-CG 4.2Å; V12-W14 HydrophobicContact CG1-CH2 4.5Å; V12-W14 HydrophobicContact CG1-CZ2 4.09Å; V12-W14 PolarHBondContact O-N 3.22Å; V12-S21 PolarHBondContact N-O 2.98Å; V12-S21 PolarHBondContact O-N 3.25Å; V12-E23 HydrophobicContact CB-CG 4.23Å; V12-E23 HydrophobicContact CG2-CB 4Å; V12-E23 HydrophobicContact CG2-CG 3.92Å; V12-V25 HydrophobicContact CG2-CG1 3.98Å; V12-P62 HydrophobicContact CG1-CB 4.49Å; V12-I64 HydrophobicContact CG2-CG1 4.25Å; V12-L137 HydrophobicContact CG1-CD1 4.02Å; V12-L137 HydrophobicContact CG1-CD2 3.99Å; V12-L137 HydrophobicContact CG2-CD1 3.73Å
13A98.8Very high97.6Very high0 Ų056.9 Ų56.90%030%0.3CS..EExtended strand (participates in β ladder)trans-86.9100.6164.600000108.3L20 L52 F61 P62 V63 L65A13-L20 HydrophobicContact CB-CD2 3.51Å; A13-L52 HydrophobicContact CB-CD1 3.74Å; A13-F61 HydrophobicContact CB-CD1 3.98Å; A13-F61 HydrophobicContact CB-CE1 3.84Å; A13-P62 CarbonylContact O-C 3.56Å; A13-P62 VanDerWaalsContact O-CA 3.26Å; A13-P62 WeakPolarHBondContact O-CA 3.32Å; A13-V63 HydrophobicContact CB-CG1 3.89Å; A13-V63 PolarHBondContact N-O 3.16Å; A13-V63 PolarHBondContact O-N 3.21Å; A13-L65 HydrophobicContact CB-CD1 4.24Å; A13-L65 HydrophobicContact CB-CG 4.36Å
14W98.7Very high98.4Very high64 Ų6460 Ų6024%0.24231%0.312CS..  trans-73.6-37.4179.3-72.5110.3000112.6V12 E23 P62 C132 K133 L137V12-W14 HydrophobicContact CG1-CD2 3.86Å; V12-W14 HydrophobicContact CG1-CE3 4.32Å; V12-W14 HydrophobicContact CG1-CG 4.2Å; V12-W14 HydrophobicContact CG1-CH2 4.5Å; V12-W14 HydrophobicContact CG1-CZ2 4.09Å; V12-W14 PolarHBondContact O-N 3.22Å; W14-E23 HydrophobicContact CZ2-CG 4.27Å; W14-E23 PolarHBondContact NE1-OE1 3.37Å; W14-P62 HydrophobicContact CD2-CB 4.4Å; W14-P62 HydrophobicContact CE3-CB 3.55Å; W14-P62 HydrophobicContact CE3-CG 4.1Å; W14-P62 HydrophobicContact CZ3-CB 3.95Å; W14-P62 HydrophobicContact CZ3-CG 4.08Å; W14-C132 HydrophobicContact CH2-CB 4.08Å; W14-C132 HydrophobicContact CZ2-CB 4.39Å; W14-K133 HydrophobicContact CZ2-CD 4.27Å; W14-L137 HydrophobicContact CH2-CD2 3.96Å; W14-L137 HydrophobicContact CZ3-CD2 3.87Å
15E98.2Very high98.6Very high119 Ų11953.2 Ų53.256%0.55628%0.28SS*.SBendtrans-147.3154-175.5-63.4178.2175.800109.7K18E15-K18 HydrophobicContact CB-CG 4Å
16A98.1Very high98.6Very high43 Ų4352.2 Ų52.236%0.35527%0.27SS..THydrogen-bonded Turntrans-62.8145.7173.100000112.1K18 L52 F61A16-K18 PolarHBondContact O-N 2.89Å; A16-L52 CarbonylContact C-O 3.33Å; A16-L52 WeakPolarHBondContact CA-O 3.28Å; A16-F61 HydrophobicContact CB-CD2 4.37Å; A16-F61 HydrophobicContact CB-CE1 4.43Å; A16-F61 HydrophobicContact CB-CE2 3.72Å; A16-F61 HydrophobicContact CB-CZ 3.74Å
17G97.4Very high98.6Very high60 Ų6050.8 Ų50.862%0.61926%0.263SS*.THydrogen-bonded Turntrans69.48.5176.500000114.7L52G17-L52 PolarHBondContact N-O 2.66Å
18K98.5Very high98.6Very high121 Ų12144.5 Ų44.553%0.52625%0.246SC..SBendtrans-106.6151.3176.9-61.7-60.9-174.9179.70111.3E15 A16E15-K18 HydrophobicContact CB-CG 4Å; A16-K18 PolarHBondContact O-N 2.89Å
19P98.3Very high98.6Very high91 Ų9146.2 Ų46.259%0.59126%0.256SS*.PPolyproline II helixtrans-57148.5170.4-23.934.3000112.1
20L98.8Very high98.6Very high6 Ų643.3 Ų43.33%0.03125%0.245CC..PPolyproline II helixtrans-65.9139.2173-59179.2000110.1A11 A13 L52 L65 F146 I355 N356 L359A11-L20 HydrophobicContact CB-CB 4.19Å; A11-L20 HydrophobicContact CB-CD1 4.13Å; A13-L20 HydrophobicContact CB-CD2 3.51Å; L20-L52 HydrophobicContact CD2-CD1 3.75Å; L20-L52 HydrophobicContact CD2-CD2 4.05Å; L20-L52 HydrophobicContact CG-CD2 4.17Å; L20-L65 HydrophobicContact CD2-CD1 4.21Å; L20-F146 HydrophobicContact CD1-CD2 4.1Å; L20-F146 HydrophobicContact CD1-CE2 4.3Å; L20-I355 HydrophobicContact CB-CG2 4.32Å; L20-I355 HydrophobicContact CD1-CD1 3.76Å; L20-I355 HydrophobicContact CD1-CG1 3.9Å; L20-I355 HydrophobicContact CD1-CG2 4.15Å; L20-N356 PolarHBondContact N-OD1 3.25Å; L20-N356 PolarHBondContact O-ND2 2.89Å; L20-L359 HydrophobicContact CD1-CD1 3.89Å; L20-L359 HydrophobicContact CG-CD1 4.19Å
21S98.8Very high98.6Very high43 Ų4348.3 Ų48.330%0.30127%0.267SS..EExtended strand (participates in β ladder)trans-99.9125.8175.6-61.40000109.9A11 V12 E23A11-S21 CarbonylContact C-O 3.55Å; A11-S21 WeakPolarHBondContact CA-O 3.42Å; V12-S21 PolarHBondContact N-O 2.98Å; V12-S21 PolarHBondContact O-N 3.25Å; S21-E23 PolarHBondContact O-N 2.85Å
22I98.7Very high98.6Very high58 Ų5850.9 Ų50.930%0.29729%0.288SS..EExtended strand (participates in β ladder)trans-76.2117.9170.5-60.4-61.4000108K9 A10 A11 F352 I355K9-I22 HydrophobicContact CD-CG2 3.61Å; K9-I22 HydrophobicContact CG-CG2 3.51Å; A10-I22 WeakPolarHBondContact O-CA 3.47Å; A11-I22 HydrophobicContact CB-CD1 3.83Å; I22-F352 HydrophobicContact CD1-CE1 4.28Å; I22-I355 HydrophobicContact CD1-CG2 4Å
23E98.8Very high98.6Very high34 Ų3455.5 Ų55.516%0.15931%0.309CS..EExtended strand (participates in β ladder)trans-129.2154.2-175-59-78.6-167.300110.1K9 A10 V12 W14 S21 V25 K133K9-E23 WeakPolarHBondContact CA-O 3.31Å; A10-E23 PolarHBondContact N-O 3.22Å; A10-E23 PolarHBondContact O-N 2.88Å; V12-E23 HydrophobicContact CB-CG 4.23Å; V12-E23 HydrophobicContact CG2-CB 4Å; V12-E23 HydrophobicContact CG2-CG 3.92Å; W14-E23 HydrophobicContact CZ2-CG 4.27Å; W14-E23 PolarHBondContact NE1-OE1 3.37Å; S21-E23 PolarHBondContact O-N 2.85Å; E23-V25 HydrophobicContact CB-CG1 4.2Å; E23-K133 IonicContact OE1-NZ 2.8Å; E23-K133 PolarHBondContact OE1-NZ 3.08Å; E23-K133 WeakPolarHBondContact OE2-CE 3.45Å; E23-K133 IonicContact OE2-NZ 2.7Å; E23-K133 PolarHBondContact OE2-NZ 2.63Å
24E98.8Very high98.6Very high126 Ų12655.6 Ų55.659%0.58931%0.31SS*.EExtended strand (participates in β ladder)trans-81.6121.3159.6-175.3-178.3104.600108.3R7 C8R7-E24 HydrophobicContact CB-CG 4.3Å; R7-E24 IonicContact NH1-OE1 3.52Å; C8-E24 WeakPolarHBondContact O-CA 3.24Å
25V98.8Very high98.6Very high1 Ų152.6 Ų52.61%0.00630%0.298CS..EExtended strand (participates in β ladder)trans-117.3156.3-179.6-53.90000110.9R7 C8 A10 V12 E23 V27 I64 C132 L137R7-V25 WeakPolarHBondContact CA-O 3.31Å; C8-V25 PolarHBondContact N-O 3.07Å; C8-V25 PolarHBondContact O-N 3.45Å; A10-V25 HydrophobicContact CB-CB 4.4Å; A10-V25 HydrophobicContact CB-CG1 3.83Å; A10-V25 HydrophobicContact CB-CG2 3.62Å; V12-V25 HydrophobicContact CG2-CG1 3.98Å; E23-V25 HydrophobicContact CB-CG1 4.2Å; V25-V27 HydrophobicContact CG2-CG2 4.19Å; V25-I64 HydrophobicContact CG2-CD1 4.44Å; V25-C132 HydrophobicContact CB-CB 4.47Å; V25-C132 HydrophobicContact CG1-CB 3.93Å; V25-L137 HydrophobicContact CG1-CD1 4.03Å
26E98.9Very high98.6Very high64 Ų6447 Ų4730%0.29927%0.272SS..EExtended strand (participates in β ladder)trans-99.8123172.5-72.6171.5167.700109.4V5 I6 R7 F130 T131V5-E26 HydrophobicContact CG1-CB 3.89Å; V5-E26 HydrophobicContact CG1-CG 4.22Å; I6-E26 CarbonylContact O-C 3.51Å; I6-E26 WeakPolarHBondContact O-CA 3.28Å; R7-E26 HydrophobicContact CG-CG 3.96Å; R7-E26 IonicContact CZ-OE1 3.32Å; R7-E26 IonicContact NE-OE1 3.28Å; R7-E26 PolarHBondContact NE-OE1 3.41Å; R7-E26 IonicContact NH2-OE1 3.86Å; R7-E26 PolarHBondContact NH2-OE1 2.83Å; E26-F130 WeakPolarHBondContact O-CA 3.46Å; E26-T131 VanDerWaalsContact CB-OG1 3.3Å; E26-T131 WeakPolarHBondContact CB-OG1 3.42Å; E26-T131 PolarHBondContact N-O 3.15Å; E26-T131 PolarHBondContact O-N 3.06Å; E26-T131 PolarHBondContact OE2-OG1 3.36Å
27V98.9Very high98.6Very high0 Ų045 Ų450%026%0.255CS..EExtended strand (participates in β ladder)trans-106.7108.9177.8-170.30000108.9V5 I6 C8 V25 R36 R129 F130 V151V5-V27 WeakPolarHBondContact CA-O 3.25Å; I6-V27 HydrophobicContact CB-CB 4.47Å; I6-V27 PolarHBondContact N-O 3.39Å; I6-V27 PolarHBondContact O-N 3.46Å; C8-V27 VanDerWaalsContact SG-CG2 3.53Å; V25-V27 HydrophobicContact CG2-CG2 4.19Å; V27-R36 PolarHBondContact O-NH1 2.73Å; V27-R129 CarbonylContact C-O 3.56Å; V27-R129 WeakPolarHBondContact CA-O 3.47Å; V27-F130 HydrophobicContact CB-CD1 4.47Å; V27-F130 HydrophobicContact CB-CE1 4.43Å; V27-F130 HydrophobicContact CG1-CD1 4.28Å; V27-F130 HydrophobicContact CG1-CE1 3.93Å; V27-F130 HydrophobicContact CG2-CD1 3.9Å; V27-F130 HydrophobicContact CG2-CE1 3.82Å; V27-V151 HydrophobicContact CG1-CG2 3.79Å
28A98.7Very high98.7Very high30 Ų3046.5 Ų46.525%0.24825%0.245CC..PPolyproline II helixtrans-59153.8176.800000111.7R36 R129A28-R36 PolarHBondContact O-NH1 3.4Å; A28-R129 HydrophobicContact CB-CB 4.3Å; A28-R129 PolarHBondContact N-O 2.85Å
29P98.6Very high98.7Very high41 Ų4140.9 Ų40.927%0.26622%0.221SC..PPolyproline II helixtrans-62.8152.7172.427.8-35.9000112.4N3 K31N3-P29 HydrophobicContact CB-CB 3.38Å; N3-P29 VanDerWaalsContact O-CB 3.25Å; N3-P29 WeakPolarHBondContact O-CB 3.33Å; N3-P29 WeakPolarHBondContact O-CG 3.28Å; P29-K31 PolarHBondContact O-N 2.96Å
30P98.6Very high98.8Very high9 Ų938.9 Ų38.96%0.05821%0.205CC..PPolyproline II helixtrans-66.8132.6174.327.8-31.8000110.6E34 R36 V151P30-E34 HydrophobicContact CB-CB 3.75Å; P30-E34 WeakPolarHBondContact CB-O 3.29Å; P30-R36 HydrophobicContact CB-CB 4.41Å; P30-R36 HydrophobicContact CG-CB 4Å; P30-V151 HydrophobicContact CB-CG1 4.21Å
31K98.6Very high98.8Very high105 Ų10538.7 Ų38.746%0.45720%0.203SC..  trans-84.5-175.7168.6-61.4-167.4-163.4167.50110.7P29 H33 E34 G77 D125P29-K31 PolarHBondContact O-N 2.96Å; K31-H33 PolarHBondContact O-N 2.86Å; K31-E34 PolarHBondContact N-OE2 3.43Å; K31-E34 VanDerWaalsContact O-CB 3.31Å; K31-E34 WeakPolarHBondContact O-CB 3.33Å; K31-E34 PolarHBondContact O-N 2.73Å; K31-E34 VanDerWaalsContact O-N 3.08Å; K31-G77 VanDerWaalsContact O-CA 3.31Å; K31-G77 WeakPolarHBondContact O-CA 3.4Å; K31-D125 VanDerWaalsContact CD-OD2 3.32Å; K31-D125 WeakPolarHBondContact CD-OD2 3.46Å; K31-D125 WeakPolarHBondContact CE-OD2 3.47Å; K31-D125 IonicContact NZ-OD2 3.19Å; K31-D125 PolarHBondContact NZ-OD2 3.22Å
32A98.5Very high98.8Very high54 Ų5436.6 Ų36.645%0.44619%0.189SC..THydrogen-bonded Turntrans-50.3134177.600000112E34 E78A32-E34 VanDerWaalsContact C-N 3.26Å; A32-E34 PolarHBondContact O-N 3.19Å; A32-E78 CarbonylContact C-O 3.51Å; A32-E78 VanDerWaalsContact CA-O 3.24Å; A32-E78 WeakPolarHBondContact CA-O 3.38Å; A32-E78 HydrophobicContact CB-CB 4.09Å
33H98.6Very high98.8Very high96 Ų9633.9 Ų33.944%0.44418%0.175SC..THydrogen-bonded Turntrans6127.4-177.2-62.4-71000115.5K31 E78 D154K31-H33 PolarHBondContact O-N 2.86Å; H33-E78 PolarHBondContact N-O 2.95Å; H33-D154 IonicContact CG-OD2 3.81Å; H33-D154 IonicContact ND1-OD2 2.72Å; H33-D154 PolarHBondContact ND1-OD2 3.23Å; H33-D154 PolarHBondContact O-N 3.29Å
34E98.9Very high98.6Very high3 Ų332.5 Ų32.51%0.01417%0.169CC..EExtended strand (participates in β ladder)trans-121.1152.4175.6-52.4-177.8161.600111.8P30 K31 A32 G77 M123 R129 V151 V152P30-E34 HydrophobicContact CB-CB 3.75Å; P30-E34 WeakPolarHBondContact CB-O 3.29Å; K31-E34 PolarHBondContact N-OE2 3.43Å; K31-E34 VanDerWaalsContact O-CB 3.31Å; K31-E34 WeakPolarHBondContact O-CB 3.33Å; K31-E34 PolarHBondContact O-N 2.73Å; K31-E34 VanDerWaalsContact O-N 3.08Å; A32-E34 VanDerWaalsContact C-N 3.26Å; A32-E34 PolarHBondContact O-N 3.19Å; E34-G77 PolarHBondContact O-N 3.35Å; E34-M123 HydrophobicContact CB-CE 3.95Å; E34-M123 HydrophobicContact CG-CE 3.38Å; E34-M123 WeakPolarHBondContact OE1-CB 3.44Å; E34-M123 WeakPolarHBondContact OE1-CE 3.34Å; E34-R129 IonicContact OE1-CZ 2.72Å; E34-R129 IonicContact OE1-NE 3.44Å; E34-R129 IonicContact OE1-NH2 3.39Å; E34-R129 PolarHBondContact OE1-NH2 2.77Å; E34-R129 IonicContact OE2-CZ 2.92Å; E34-R129 VanDerWaalsContact OE2-CZ 3.29Å; E34-R129 IonicContact OE2-NE 3.12Å; E34-R129 PolarHBondContact OE2-NE 3.47Å; E34-R129 IonicContact OE2-NH2 3.91Å; E34-R129 PolarHBondContact OE2-NH2 3.3Å; E34-V151 HydrophobicContact CB-CG1 3.88Å; E34-V152 CarbonylContact C-O 3.6Å; E34-V152 WeakPolarHBondContact CA-O 3.01Å
35V98.9Very high98.4Very high0 Ų026.9 Ų26.90%014%0.144CC..EExtended strand (participates in β ladder)trans-127.4127.6-178.9-178.40000108.2I37 V73 V76 V80 V83 V151 V152 D154 V157V35-I37 HydrophobicContact CG1-CD1 4.47Å; V35-I37 HydrophobicContact CG1-CG1 3.89Å; V35-V73 HydrophobicContact CG1-CB 4.47Å; V35-V73 HydrophobicContact CG1-CG1 3.81Å; V35-V73 HydrophobicContact CG1-CG2 3.95Å; V35-V76 HydrophobicContact CG1-CG1 4.32Å; V35-V76 HydrophobicContact CG2-CG1 4.34Å; V35-V80 HydrophobicContact CG2-CG1 4.02Å; V35-V80 HydrophobicContact CG2-CG2 4.45Å; V35-V83 HydrophobicContact CG1-CG2 4.16Å; V35-V83 HydrophobicContact CG2-CG2 3.75Å; V35-V151 WeakPolarHBondContact O-CA 3.45Å; V35-V152 HydrophobicContact CB-CG2 4.3Å; V35-V152 PolarHBondContact N-O 3.27Å; V35-V152 PolarHBondContact O-N 2.91Å; V35-D154 HydrophobicContact CG2-CB 3.94Å; V35-V157 HydrophobicContact CB-CG2 4.04Å; V35-V157 HydrophobicContact CG1-CG2 4.31Å; V35-V157 HydrophobicContact CG2-CG2 4.07Å
36R98.9Very high98.1Very high2 Ų232.6 Ų32.61%0.00817%0.17CC..EExtended strand (participates in β ladder)trans-97.1125.7171.1-169.9162.663.4-177.84.6109.8Q4 I6 V27 A28 P30 E74 S75 T150 V151Q4-R36 PolarHBondContact O-NH1 3.16Å; Q4-R36 PolarHBondContact O-NH2 3.43Å; Q4-R36 VanDerWaalsContact O-NH2 3.16Å; I6-R36 VanDerWaalsContact CD1-CZ 3.44Å; V27-R36 PolarHBondContact O-NH1 2.73Å; A28-R36 PolarHBondContact O-NH1 3.4Å; P30-R36 HydrophobicContact CB-CB 4.41Å; P30-R36 HydrophobicContact CG-CB 4Å; R36-E74 IonicContact CZ-OE2 3.86Å; R36-E74 VanDerWaalsContact CZ-OE2 3.25Å; R36-E74 IonicContact NE-OE2 2.96Å; R36-E74 PolarHBondContact NE-OE2 2.82Å; R36-E74 IonicContact NH2-OE1 3.24Å; R36-E74 PolarHBondContact NH2-OE1 2.93Å; R36-E74 IonicContact NH2-OE2 3.4Å; R36-E74 PolarHBondContact NH2-OE2 2.73Å; R36-E74 PolarHBondContact O-N 2.88Å; R36-S75 PolarHBondContact N-O 3.42Å; R36-S75 PolarHBondContact O-N 3.28Å; R36-T150 CarbonylContact C-O 3.51Å; R36-T150 VanDerWaalsContact CA-O 3.29Å; R36-T150 WeakPolarHBondContact CA-O 3.35Å; R36-T150 WeakPolarHBondContact CG-O 3.32Å; R36-V151 HydrophobicContact CB-CG2 4.07Å; R36-V151 HydrophobicContact CG-CG2 3.88Å
37I98.9Very high97.8Very high0 Ų031.8 Ų31.80%017%0.17CC..EExtended strand (participates in β ladder)trans-117.9129.9-172.7-55172.9000108.2V35 I39 V89 P91 Y149 T150 V152 V157V35-I37 HydrophobicContact CG1-CD1 4.47Å; V35-I37 HydrophobicContact CG1-CG1 3.89Å; I37-I39 HydrophobicContact CB-CD1 4.41Å; I37-I39 HydrophobicContact CG2-CD1 3.91Å; I37-I39 PolarHBondContact O-N 2.7Å; I37-V89 HydrophobicContact CD1-CG2 3.87Å; I37-V89 HydrophobicContact CG1-CG2 4.07Å; I37-V89 HydrophobicContact CG2-CG2 3.73Å; I37-P91 HydrophobicContact CD1-CB 4.14Å; I37-Y149 VanDerWaalsContact O-CA 3.3Å; I37-Y149 WeakPolarHBondContact O-CA 3.37Å; I37-T150 HydrophobicContact CB-CG2 4.2Å; I37-T150 PolarHBondContact N-O 2.92Å; I37-T150 PolarHBondContact O-N 3.49Å; I37-V152 HydrophobicContact CD1-CG2 3.61Å; I37-V152 HydrophobicContact CG1-CG2 4.38Å; I37-V157 HydrophobicContact CD1-CG2 4.28Å
38K98.9Very high97.7Very high93 Ų9331.9 Ų31.940%0.40417%0.17SC..EExtended strand (participates in β ladder)trans-78110.8162.3-174.8179.8-178.6176.50108.4I40 G71 I72 E148 Y149K38-I40 HydrophobicContact CD-CD1 4.12Å; K38-I40 HydrophobicContact CG-CD1 4.18Å; K38-G71 CarbonylContact O-C 3.57Å; K38-G71 WeakPolarHBondContact O-CA 3.09Å; K38-I72 PolarHBondContact N-O 3.2Å; K38-I72 PolarHBondContact O-N 2.91Å; K38-E148 CarbonylContact C-O 3.57Å; K38-E148 WeakPolarHBondContact CA-O 3.18Å; K38-Y149 HydrophobicContact CB-CD1 3.94Å; K38-Y149 HydrophobicContact CB-CE1 3.52Å; K38-Y149 HydrophobicContact CD-CE1 4.22Å; K38-Y149 HydrophobicContact CG-CD1 4.36Å; K38-Y149 HydrophobicContact CG-CE1 3.76Å; K38-Y149 HydrophobicContact CG-CE2 4.38Å
39I98.9Very high97.5Very high3 Ų330.8 Ų30.82%0.01516%0.161CC..EExtended strand (participates in β ladder)trans-76.4129.1176.8-57.3-60.3000108.5I37 A41 P91 T145 S147 E148 T150 L374I37-I39 HydrophobicContact CB-CD1 4.41Å; I37-I39 HydrophobicContact CG2-CD1 3.91Å; I37-I39 PolarHBondContact O-N 2.7Å; I39-A41 WeakPolarHBondContact CG2-O 3.35Å; I39-P91 HydrophobicContact CD1-CG 4.34Å; I39-T145 HydrophobicContact CD1-CG2 4.33Å; I39-S147 WeakPolarHBondContact CB-O 3.35Å; I39-S147 WeakPolarHBondContact CG1-O 3.39Å; I39-E148 PolarHBondContact N-O 3.24Å; I39-T150 HydrophobicContact CD1-CG2 3.78Å; I39-T150 HydrophobicContact CG1-CG2 3.96Å; I39-L374 HydrophobicContact CB-CD2 4.18Å; I39-L374 HydrophobicContact CG2-CD1 3.74Å; I39-L374 HydrophobicContact CG2-CD2 4.1Å
40I98.8Very high97.3Very high49 Ų4930.8 Ų30.825%0.25116%0.156SC..EExtended strand (participates in β ladder)trans-101.4-38.2179.5-60.8-59.4000110.4K38 A70 I72 L166 L374K38-I40 HydrophobicContact CD-CD1 4.12Å; K38-I40 HydrophobicContact CG-CD1 4.18Å; I40-A70 PolarHBondContact N-O 2.88Å; I40-I72 HydrophobicContact CG1-CD1 4.45Å; I40-I72 HydrophobicContact CG1-CG1 4.36Å; I40-L166 HydrophobicContact CB-CB 4.27Å; I40-L166 HydrophobicContact CB-CD1 3.81Å; I40-L166 HydrophobicContact CG1-CD1 3.71Å; I40-L166 HydrophobicContact CG2-CB 4.2Å; I40-L166 HydrophobicContact CG2-CD1 4.1Å; I40-L374 PolarHBondContact O-N 3.32Å
41A98.8Very high97.1Very high1 Ų130.5 Ų30.51%0.00815%0.154CC..EExtended strand (participates in β ladder)trans-143.5145.5173.900000110.6I39 G69 A70 D167 V371 L372I39-A41 WeakPolarHBondContact CG2-O 3.35Å; A41-G69 WeakPolarHBondContact O-CA 3.07Å; A41-A70 PolarHBondContact N-O 3.41Å; A41-A70 PolarHBondContact O-N 2.95Å; A41-D167 HydrophobicContact CB-CB 4.22Å; A41-V371 HydrophobicContact CB-CG1 4.05Å; A41-L372 WeakPolarHBondContact CA-O 3.38Å
42T98.9Very high97.1Very high0 Ų026.3 Ų26.30%014%0.137CC..EExtended strand (participates in β ladder)trans-134.9154.5173.4-169.30000110E68 T145 F146 F352 L372 L374T42-E68 CarbonylContact C-O 3.52Å; T42-E68 WeakPolarHBondContact CA-O 3.33Å; T42-E68 PolarHBondContact OG1-O 3.48Å; T42-T145 WeakPolarHBondContact OG1-CB 3.46Å; T42-T145 PolarHBondContact OG1-OG1 3.18Å; T42-F146 HydrophobicContact CG2-CD1 3.81Å; T42-F146 HydrophobicContact CG2-CE1 4.17Å; T42-F352 HydrophobicContact CG2-CD2 4.46Å; T42-F352 HydrophobicContact CG2-CE2 4.43Å; T42-L372 HydrophobicContact CG2-CB 3.87Å; T42-L372 HydrophobicContact CG2-CD1 4.17Å; T42-L372 PolarHBondContact N-O 3.21Å; T42-L372 PolarHBondContact O-N 2.78Å; T42-L374 HydrophobicContact CG2-CD1 3.73Å
43A98.4Very high97Very high0 Ų026.9 Ų26.90%014%0.137CC..EExtended strand (participates in β ladder)trans-121157.1172.300000111.1E68 L171 T370 V371A43-E68 HydrophobicContact CB-CB 3.95Å; A43-E68 PolarHBondContact N-O 2.94Å; A43-L171 HydrophobicContact CB-CD2 3.42Å; A43-L171 VanDerWaalsContact CB-CD2 3.42Å; A43-T370 WeakPolarHBondContact CA-O 3.42Å; A43-V371 HydrophobicContact CB-CG2 4.45Å
44V95.7Very high96.8Very high5 Ų524.4 Ų24.43%0.0314%0.137CC..  trans-96.3137.2174.8178.10000109.6F146 I355 A358 L359 M362 T370 L372V44-F146 HydrophobicContact CB-CZ 4.48Å; V44-F146 HydrophobicContact CG2-CE1 4.24Å; V44-F146 HydrophobicContact CG2-CZ 3.85Å; V44-I355 HydrophobicContact CG2-CG1 4.33Å; V44-A358 HydrophobicContact CG2-CB 3.88Å; V44-L359 HydrophobicContact CG1-CD2 3.45Å; V44-L359 VanDerWaalsContact CG1-CD2 3.45Å; V44-L359 HydrophobicContact CG1-CG 4.03Å; V44-M362 HydrophobicContact CG1-CE 4.02Å; V44-M362 HydrophobicContact CG1-SD 4.15Å; V44-T370 PolarHBondContact N-O 2.84Å; V44-L372 HydrophobicContact CG2-CD1 3.82Å
45C93.6Very high96.3Very high9 Ų926.6 Ų26.66%0.06116%0.156CC..  trans-130.6164175.3-179.10000111.2T47 D48 A49 E68C45-T47 PolarHBondContact O-N 3.06Å; C45-D48 PolarHBondContact N-OD2 2.89Å; C45-D48 WeakPolarHBondContact O-CB 3.31Å; C45-D48 PolarHBondContact O-N 3.38Å; C45-A49 PolarHBondContact O-N 2.84Å; C45-E68 WeakPolarHBondContact CB-OE1 3.34Å
46H92.5Very high95.9Very high120 Ų12028.3 Ų28.356%0.55617%0.165SC*.Hα-helixtrans-59-30.3-179.4-174-84.1000112D48 A49 Y50 M362H46-D48 VanDerWaalsContact C-N 3.31Å; H46-D48 PolarHBondContact O-N 3.09Å; H46-A49 PolarHBondContact O-N 3.37Å; H46-Y50 WeakPolarHBondContact O-CB 3.36Å; H46-Y50 PolarHBondContact O-N 2.8Å; H46-M362 HydrophobicContact CB-SD 4.35Å; H46-M362 PolarHBondContact N-SD 2.87Å
47T93.7Very high95.3Very high48 Ų4832.6 Ų32.629%0.29419%0.193SC..Hα-helixtrans-61-39.7175.6-530000112C45 Y50 T51 F140 M141C45-T47 PolarHBondContact O-N 3.06Å; T47-Y50 PolarHBondContact O-N 2.73Å; T47-T51 PolarHBondContact O-N 3.47Å; T47-T51 PolarHBondContact O-OG1 2.97Å; T47-F140 HydrophobicContact CG2-CZ 4.3Å; T47-M141 HydrophobicContact CG2-CE 4.35Å; T47-M141 HydrophobicContact CG2-SD 3.67Å
48D96.3Very high94.8Very high1 Ų137.2 Ų37.21%0.00522%0.215CC..Hα-helixtrans-65.9-43.4176.9-50.7-70.2000110.6C45 H46 L52 G66 H67 F140 F146C45-D48 PolarHBondContact N-OD2 2.89Å; C45-D48 WeakPolarHBondContact O-CB 3.31Å; C45-D48 PolarHBondContact O-N 3.38Å; H46-D48 VanDerWaalsContact C-N 3.31Å; H46-D48 PolarHBondContact O-N 3.09Å; D48-L52 VanDerWaalsContact O-CB 3.31Å; D48-L52 WeakPolarHBondContact O-CB 3.48Å; D48-L52 PolarHBondContact O-N 2.98Å; D48-G66 WeakPolarHBondContact OD1-CA 3.4Å; D48-G66 PolarHBondContact OD1-N 2.89Å; D48-G66 VanDerWaalsContact OD1-N 3.08Å; D48-H67 IonicContact OD1-CE1 3.48Å; D48-H67 IonicContact OD1-ND1 3.4Å; D48-H67 PolarHBondContact OD1-ND1 3.31Å; D48-H67 IonicContact OD2-CE1 2.69Å; D48-H67 PolarHBondContact OD2-CE1 3Å; D48-H67 VanDerWaalsContact OD2-CE1 3.28Å; D48-H67 IonicContact OD2-ND1 2.85Å; D48-H67 PolarHBondContact OD2-ND1 2.97Å; D48-F140 VanDerWaalsContact OD1-CE1 3.23Å; D48-F140 WeakPolarHBondContact OD1-CE1 3.08Å; D48-F146 HydrophobicContact CB-CE2 4.14Å; D48-F146 HydrophobicContact CB-CZ 4.15Å
49A95.2Very high94.5Very high7 Ų734 Ų346%0.05821%0.208CC..Hα-helixtrans-67.6-35.2177.100000113.3C45 H46 L52 S53 L359 M362 H363C45-A49 PolarHBondContact O-N 2.84Å; H46-A49 PolarHBondContact O-N 3.37Å; A49-L52 PolarHBondContact O-N 3.38Å; A49-S53 WeakPolarHBondContact O-CB 3.46Å; A49-S53 PolarHBondContact O-N 3.41Å; A49-L359 HydrophobicContact CB-CD2 4.05Å; A49-M362 HydrophobicContact CB-CE 3.26Å; A49-H363 WeakPolarHBondContact CB-NE2 3.42Å
50Y93.6Very high94.3Very high42 Ų4236.1 Ų36.117%0.16522%0.223CC..Hα-helixtrans-61.6-48.7176.6179.3-112.8000110.7H46 T47 S53 A55 D56 A296 S297H46-Y50 WeakPolarHBondContact O-CB 3.36Å; H46-Y50 PolarHBondContact O-N 2.8Å; T47-Y50 PolarHBondContact O-N 2.73Å; Y50-S53 PolarHBondContact O-N 2.78Å; Y50-S53 PolarHBondContact O-OG 2.95Å; Y50-A55 HydrophobicContact CD2-CB 3.83Å; Y50-A55 HydrophobicContact CE2-CB 3.37Å; Y50-A55 PolarHBondContact OH-O 3.06Å; Y50-D56 HydrophobicContact CD1-CB 3.78Å; Y50-D56 VanDerWaalsContact CE1-CA 3.48Å; Y50-D56 HydrophobicContact CE1-CB 3.65Å; Y50-A296 HydrophobicContact CE2-CB 4.38Å; Y50-S297 PolarHBondContact OH-N 3.33Å
51T95.8Very high94.2Very high3 Ų336.2 Ų36.22%0.01822%0.221CC..Hα-helixtrans-63.8-46.6173.7-55.40000111T47 S53 G54 D56 F61 L65 F140T47-T51 PolarHBondContact O-N 3.47Å; T47-T51 PolarHBondContact O-OG1 2.97Å; T51-S53 PolarHBondContact O-N 2.69Å; T51-G54 PolarHBondContact O-N 3.45Å; T51-D56 HydrophobicContact CG2-CB 4.3Å; T51-D56 PolarHBondContact OG1-OD2 3.47Å; T51-F61 WeakPolarHBondContact O-CZ 3.4Å; T51-L65 HydrophobicContact CG2-CD2 4.04Å; T51-F140 HydrophobicContact CG2-CD2 4.33Å; T51-F140 HydrophobicContact CG2-CE2 3.84Å; T51-F140 VanDerWaalsContact OG1-CE2 3.31Å; T51-F140 WeakPolarHBondContact OG1-CE2 3.4Å
52L97.8Very high94.2Very high17 Ų1737.5 Ų37.59%0.08923%0.229CC..Hα-helixtrans-56.9-34.5178.5-175.158.8000112.6A13 A16 G17 L20 D48 A49 G54 F61 L65 L359A13-L52 HydrophobicContact CB-CD1 3.74Å; A16-L52 CarbonylContact C-O 3.33Å; A16-L52 WeakPolarHBondContact CA-O 3.28Å; G17-L52 PolarHBondContact N-O 2.66Å; L20-L52 HydrophobicContact CD2-CD1 3.75Å; L20-L52 HydrophobicContact CD2-CD2 4.05Å; L20-L52 HydrophobicContact CG-CD2 4.17Å; D48-L52 VanDerWaalsContact O-CB 3.31Å; D48-L52 WeakPolarHBondContact O-CB 3.48Å; D48-L52 PolarHBondContact O-N 2.98Å; A49-L52 PolarHBondContact O-N 3.38Å; L52-G54 PolarHBondContact O-N 2.85Å; L52-F61 HydrophobicContact CD1-CE1 4.4Å; L52-L65 HydrophobicContact CB-CD1 3.85Å; L52-L65 HydrophobicContact CD1-CD1 4.21Å; L52-L65 HydrophobicContact CG-CD1 4.45Å; L52-L359 HydrophobicContact CD2-CD1 3.67Å
53S95.6Very high94.2Very high66 Ų6637.6 Ų37.646%0.46223%0.23SC..Hα-helixtrans-67.1-18.5178.377.50000114A49 Y50 T51 A55A49-S53 WeakPolarHBondContact O-CB 3.46Å; A49-S53 PolarHBondContact O-N 3.41Å; Y50-S53 PolarHBondContact O-N 2.78Å; Y50-S53 PolarHBondContact O-OG 2.95Å; T51-S53 PolarHBondContact O-N 2.69Å; S53-A55 VanDerWaalsContact C-N 3.33Å; S53-A55 WeakPolarHBondContact OG-CB 3.5Å; S53-A55 PolarHBondContact OG-N 2.88Å
54G94Very high94.3Very high43 Ų4337.6 Ų37.644%0.44323%0.23SC..THydrogen-bonded Turntrans84.13.5-172.300000114.4T51 L52 D56T51-G54 PolarHBondContact O-N 3.45Å; L52-G54 PolarHBondContact O-N 2.85Å; G54-D56 VanDerWaalsContact C-N 3.31Å
55A89.8Confident94.4Very high50 Ų5037.4 Ų37.441%0.41323%0.229SC..  trans-79.3-13.5178.100000113.5Y50 S53 P57Y50-A55 HydrophobicContact CD2-CB 3.83Å; Y50-A55 HydrophobicContact CE2-CB 3.37Å; Y50-A55 PolarHBondContact OH-O 3.06Å; S53-A55 VanDerWaalsContact C-N 3.33Å; S53-A55 WeakPolarHBondContact OG-CB 3.5Å; S53-A55 PolarHBondContact OG-N 2.88Å; A55-P57 WeakPolarHBondContact O-CD 3.26Å
56D89.4Confident94.6Very high36 Ų3637 Ų3719%0.19323%0.226CC..  trans-78.5116.9174.6-178.66.8000111.4Y50 T51 G54 E58 G59Y50-D56 HydrophobicContact CD1-CB 3.78Å; Y50-D56 VanDerWaalsContact CE1-CA 3.48Å; Y50-D56 HydrophobicContact CE1-CB 3.65Å; T51-D56 HydrophobicContact CG2-CB 4.3Å; T51-D56 PolarHBondContact OG1-OD2 3.47Å; G54-D56 VanDerWaalsContact C-N 3.31Å; D56-E58 PolarHBondContact O-N 2.95Å; D56-E58 PolarHBondContact OD1-N 2.66Å; D56-G59 PolarHBondContact O-N 2.97Å
57P86.8Confident94.9Very high91 Ų9131.3 Ų31.359%0.59120%0.2SC*.THydrogen-bonded Turntrans-67.1-22.2177.2-14.427.1000114.2A55 G59 S297A55-P57 WeakPolarHBondContact O-CD 3.26Å; P57-G59 VanDerWaalsContact C-N 3.28Å; P57-S297 WeakPolarHBondContact CG-OG 3.4Å
58E88.9Confident95.2Very high97 Ų9729 Ų2945%0.45319%0.186SC..THydrogen-bonded Turntrans-86.9-3.2172.9-62.4-158.4-161.100111.6D56 C60 R115D56-E58 PolarHBondContact O-N 2.95Å; D56-E58 PolarHBondContact OD1-N 2.66Å; E58-C60 PolarHBondContact O-N 2.63Å; E58-C60 PolarHBondContact O-SG 2.81Å; E58-C60 VanDerWaalsContact O-SG 3.33Å; E58-R115 IonicContact OE1-CZ 2.73Å; E58-R115 IonicContact OE1-NH1 2.66Å; E58-R115 PolarHBondContact OE1-NH1 3.43Å; E58-R115 IonicContact OE1-NH2 2.85Å; E58-R115 IonicContact OE2-CZ 3.43Å; E58-R115 IonicContact OE2-NH1 3.63Å; E58-R115 PolarHBondContact OE2-NH1 2.83Å; E58-R115 IonicContact OE2-NH2 3.75Å; E58-R115 PolarHBondContact OE2-NH2 3.2Å
59G91.4Very high95.3Very high25 Ų2529 Ų2926%0.25819%0.185SC..  trans-62123.8-179.300000112.7D56 P57D56-G59 PolarHBondContact O-N 2.97Å; P57-G59 VanDerWaalsContact C-N 3.28Å
60C94.8Very high95.5Very high48 Ų4828.6 Ų28.632%0.32418%0.183SC..  trans-123.7140178.5-61.10000109.5E58 V63 F138E58-C60 PolarHBondContact O-N 2.63Å; E58-C60 PolarHBondContact O-SG 2.81Å; E58-C60 VanDerWaalsContact O-SG 3.33Å; C60-V63 VanDerWaalsContact O-CB 3.27Å; C60-V63 WeakPolarHBondContact O-CB 3.1Å; C60-V63 VanDerWaalsContact O-CG1 3.24Å; C60-V63 WeakPolarHBondContact O-CG1 3.48Å; C60-F138 HydrophobicContact CB-CD2 4.03Å; C60-F138 HydrophobicContact CB-CE2 4.36Å; C60-F138 HydrophobicContact CB-CG 4.29Å
61F98.4Very high95.7Very high52 Ų5226.6 Ų26.623%0.22818%0.175CC..SBendtrans-131.8148.2179.8-63.2-94.2000110.3A13 A16 T51 L52 V63A13-F61 HydrophobicContact CB-CD1 3.98Å; A13-F61 HydrophobicContact CB-CE1 3.84Å; A16-F61 HydrophobicContact CB-CD2 4.37Å; A16-F61 HydrophobicContact CB-CE1 4.43Å; A16-F61 HydrophobicContact CB-CE2 3.72Å; A16-F61 HydrophobicContact CB-CZ 3.74Å; T51-F61 WeakPolarHBondContact O-CZ 3.4Å; L52-F61 HydrophobicContact CD1-CE1 4.4Å; F61-V63 HydrophobicContact CD1-CG1 3.95Å; F61-V63 HydrophobicContact CE1-CG1 4.18Å
62P98.6Very high95.9Very high27 Ų2729.4 Ų29.418%0.17519%0.189CC..SBendcis-79.7146.20.334.7-37.2000112.7V12 A13 W14 L137 F138V12-P62 HydrophobicContact CG1-CB 4.49Å; A13-P62 CarbonylContact O-C 3.56Å; A13-P62 VanDerWaalsContact O-CA 3.26Å; A13-P62 WeakPolarHBondContact O-CA 3.32Å; W14-P62 HydrophobicContact CD2-CB 4.4Å; W14-P62 HydrophobicContact CE3-CB 3.55Å; W14-P62 HydrophobicContact CE3-CG 4.1Å; W14-P62 HydrophobicContact CZ3-CB 3.95Å; W14-P62 HydrophobicContact CZ3-CG 4.08Å; P62-L137 HydrophobicContact CB-CD2 3.83Å; P62-L137 HydrophobicContact CG-CD2 3.72Å; P62-F138 WeakPolarHBondContact O-CD2 3.38Å; P62-F138 PolarHBondContact O-N 2.97Å
63V98.8Very high95.9Very high3 Ų328.7 Ų28.72%0.01819%0.185CC..EExtended strand (participates in β ladder)trans-143.9150.3-169.962.50000111.9A13 C60 F61 L65 F138 F140A13-V63 HydrophobicContact CB-CG1 3.89Å; A13-V63 PolarHBondContact N-O 3.16Å; A13-V63 PolarHBondContact O-N 3.21Å; C60-V63 VanDerWaalsContact O-CB 3.27Å; C60-V63 WeakPolarHBondContact O-CB 3.1Å; C60-V63 VanDerWaalsContact O-CG1 3.24Å; C60-V63 WeakPolarHBondContact O-CG1 3.48Å; F61-V63 HydrophobicContact CD1-CG1 3.95Å; F61-V63 HydrophobicContact CE1-CG1 4.18Å; V63-L65 HydrophobicContact CG1-CD2 3.81Å; V63-L65 HydrophobicContact CG1-CG 4.21Å; V63-L65 HydrophobicContact CG2-CD2 4.34Å; V63-F138 HydrophobicContact CB-CB 4.16Å; V63-F138 HydrophobicContact CG2-CB 4.12Å; V63-F138 WeakPolarHBondContact CG2-O 3.47Å; V63-F140 HydrophobicContact CG2-CB 3.85Å
64I98.9Very high96.1Very high0 Ų028.8 Ų28.80%018%0.178CC..EExtended strand (participates in β ladder)trans-98.1113.8163.2-64.1168.4000108.1A10 V12 V25 F130 L137 F138 F140 S144 F146A10-I64 HydrophobicContact CB-CD1 3.76Å; A10-I64 HydrophobicContact CB-CG1 4.29Å; V12-I64 HydrophobicContact CG2-CG1 4.25Å; V25-I64 HydrophobicContact CG2-CD1 4.44Å; I64-F130 HydrophobicContact CD1-CB 4.16Å; I64-F130 HydrophobicContact CD1-CD1 3.82Å; I64-F130 HydrophobicContact CD1-CD2 4Å; I64-F130 HydrophobicContact CD1-CE1 4.13Å; I64-F130 HydrophobicContact CD1-CE2 4.28Å; I64-F130 HydrophobicContact CD1-CG 3.74Å; I64-F130 HydrophobicContact CD1-CZ 4.34Å; I64-L137 HydrophobicContact CD1-CD1 3.94Å; I64-L137 HydrophobicContact CG1-CD1 4.06Å; I64-F138 PolarHBondContact N-O 3.01Å; I64-F140 WeakPolarHBondContact O-CB 3.18Å; I64-S144 WeakPolarHBondContact O-CB 3.43Å; I64-S144 PolarHBondContact O-OG 3.1Å; I64-F146 HydrophobicContact CG2-CB 4.14Å; I64-F146 VanDerWaalsContact CG2-O 3.29Å; I64-F146 WeakPolarHBondContact CG2-O 3.26Å
65L98.8Very high96.3Very high1 Ų127.1 Ų27.11%0.00516%0.16CC..  trans-78-167.2179.5-60.4174.8000112.1A13 L20 T51 L52 V63 F140 S144 T145 F146A13-L65 HydrophobicContact CB-CD1 4.24Å; A13-L65 HydrophobicContact CB-CG 4.36Å; L20-L65 HydrophobicContact CD2-CD1 4.21Å; T51-L65 HydrophobicContact CG2-CD2 4.04Å; L52-L65 HydrophobicContact CB-CD1 3.85Å; L52-L65 HydrophobicContact CD1-CD1 4.21Å; L52-L65 HydrophobicContact CG-CD1 4.45Å; V63-L65 HydrophobicContact CG1-CD2 3.81Å; V63-L65 HydrophobicContact CG1-CG 4.21Å; V63-L65 HydrophobicContact CG2-CD2 4.34Å; L65-F140 HydrophobicContact CB-CD1 4.23Å; L65-F140 HydrophobicContact CB-CG 4.46Å; L65-F140 HydrophobicContact CD2-CB 4.21Å; L65-F140 HydrophobicContact CD2-CD1 4.08Å; L65-F140 HydrophobicContact CD2-CD2 3.61Å; L65-F140 HydrophobicContact CD2-CE1 4.32Å; L65-F140 HydrophobicContact CD2-CE2 3.91Å; L65-F140 HydrophobicContact CD2-CG 3.69Å; L65-F140 HydrophobicContact CD2-CZ 4.23Å; L65-S144 CarbonylContact O-C 3.55Å; L65-S144 WeakPolarHBondContact O-CA 3.43Å; L65-T145 PolarHBondContact O-N 2.89Å; L65-F146 HydrophobicContact CB-CD2 3.6Å; L65-F146 HydrophobicContact CB-CE2 3.72Å; L65-F146 WeakPolarHBondContact O-CB 3.4Å; L65-F146 WeakPolarHBondContact O-CG 3.5Å; L65-F146 PolarHBondContact O-N 2.87Å
66G98.6Very high96.7Very high0 Ų026.6 Ų26.60%015%0.152CC..  trans93.2130.8176.600000112.6D48 T143 S144 T145 F146D48-G66 WeakPolarHBondContact OD1-CA 3.4Å; D48-G66 PolarHBondContact OD1-N 2.89Å; D48-G66 VanDerWaalsContact OD1-N 3.08Å; G66-T143 PolarHBondContact O-OG1 3.42Å; G66-S144 WeakPolarHBondContact O-CA 3.31Å; G66-S144 PolarHBondContact O-N 2.69Å; G66-S144 VanDerWaalsContact O-N 3.1Å; G66-T145 WeakPolarHBondContact CA-OG1 3.16Å; G66-T145 PolarHBondContact O-N 2.86Å; G66-T145 PolarHBondContact O-OG1 2.88Å; G66-F146 VanDerWaalsContact CA-CD1 3.49Å
67H98.8Very high97.2Very high0 Ų025.4 Ų25.40%015%0.148CC..  trans-143.1-1.2179.465.3-75.9000114.5D48 F140 M141 T143 T145 C174D48-H67 IonicContact OD1-CE1 3.48Å; D48-H67 IonicContact OD1-ND1 3.4Å; D48-H67 PolarHBondContact OD1-ND1 3.31Å; D48-H67 IonicContact OD2-CE1 2.69Å; D48-H67 PolarHBondContact OD2-CE1 3Å; D48-H67 VanDerWaalsContact OD2-CE1 3.28Å; D48-H67 IonicContact OD2-ND1 2.85Å; D48-H67 PolarHBondContact OD2-ND1 2.97Å; H67-F140 AromaticContact ND1-CE1 3.9Å; H67-M141 HydrophobicContact CB-CB 4.17Å; H67-M141 HydrophobicContact CB-CE 4.05Å; H67-M141 HydrophobicContact CB-SD 3.91Å; H67-T143 VanDerWaalsContact CA-OG1 3.26Å; H67-T143 WeakPolarHBondContact CA-OG1 3.48Å; H67-T143 VanDerWaalsContact CB-OG1 3.3Å; H67-T143 WeakPolarHBondContact CB-OG1 3.42Å; H67-T145 PolarHBondContact N-OG1 3.21Å; H67-C174 PolarHBondContact NE2-SG 3.48Å
68E98.7Very high97.7Very high0 Ų028.7 Ų28.70%016%0.155CC..EExtended strand (participates in β ladder)trans-105.792.4171.6-69.5-169.8-165.100108.1T42 A43 C45 C170 L171 C174 G175 R369T42-E68 CarbonylContact C-O 3.52Å; T42-E68 WeakPolarHBondContact CA-O 3.33Å; T42-E68 PolarHBondContact OG1-O 3.48Å; A43-E68 HydrophobicContact CB-CB 3.95Å; A43-E68 PolarHBondContact N-O 2.94Å; C45-E68 WeakPolarHBondContact CB-OE1 3.34Å; E68-C170 CarbonylContact C-O 3.56Å; E68-L171 WeakPolarHBondContact OE2-CD2 3.41Å; E68-C174 HydrophobicContact CG-CB 3.45Å; E68-C174 VanDerWaalsContact CG-CB 3.45Å; E68-C174 WeakPolarHBondContact OE1-CB 3.49Å; E68-G175 PolarHBondContact OE1-N 2.85Å; E68-R369 IonicContact OE1-CZ 2.77Å; E68-R369 IonicContact OE1-NE 3.74Å; E68-R369 PolarHBondContact OE1-NE 3.24Å; E68-R369 IonicContact OE1-NH2 3.41Å; E68-R369 PolarHBondContact OE1-NH2 3.48Å; E68-R369 IonicContact OE2-NE 3.89Å; E68-R369 PolarHBondContact OE2-NE 2.93Å
69G98.8Very high98.1Very high0 Ų026.2 Ų26.20%016%0.156CC..EExtended strand (participates in β ladder)trans-137.9157.8-17700000113.6A41 P91A41-G69 WeakPolarHBondContact O-CA 3.07Å; G69-P91 WeakPolarHBondContact O-CD 3.37Å
70A98.9Very high98.5Very high0 Ų025.9 Ų25.90%015%0.149CC..EExtended strand (participates in β ladder)trans-141.3143.6168.300000109.9I40 A41 V89 I90 L166 V169 C170I40-A70 PolarHBondContact N-O 2.88Å; A41-A70 PolarHBondContact N-O 3.41Å; A41-A70 PolarHBondContact O-N 2.95Å; A70-V89 WeakPolarHBondContact CA-O 3.48Å; A70-I90 HydrophobicContact CB-CG1 4.13Å; A70-L166 HydrophobicContact CB-CB 3.94Å; A70-L166 HydrophobicContact CB-CD2 3.82Å; A70-L166 HydrophobicContact CB-CG 4.42Å; A70-V169 HydrophobicContact CB-CG2 4.18Å; A70-C170 HydrophobicContact CB-CB 3.86Å
71G98.8Very high98.6Very high0 Ų029.8 Ų29.80%017%0.171CC..EExtended strand (participates in β ladder)trans-163.9-169.3-16900000114.4K38 V89K38-G71 CarbonylContact O-C 3.57Å; K38-G71 WeakPolarHBondContact O-CA 3.09Å; G71-V89 PolarHBondContact N-O 2.56Å; G71-V89 PolarHBondContact O-N 2.86Å
72I98.9Very high98.5Very high62 Ų6233.3 Ų33.332%0.31818%0.183SC..EExtended strand (participates in β ladder)trans-123.5133.5179.9-56.9171.9000107.5K38 I40 E74 D87 L166K38-I72 PolarHBondContact N-O 3.2Å; K38-I72 PolarHBondContact O-N 2.91Å; I40-I72 HydrophobicContact CG1-CD1 4.45Å; I40-I72 HydrophobicContact CG1-CG1 4.36Å; I72-E74 PolarHBondContact O-N 2.93Å; I72-D87 WeakPolarHBondContact CA-O 3Å; I72-L166 HydrophobicContact CG1-CD1 4.27Å
73V98.9Very high98.5Very high2 Ų232.4 Ų32.41%0.01218%0.177CC..EExtended strand (participates in β ladder)trans-62.1122.7174.4178.40000108.9V35 V76 V83 K84 A85 G86 D87 V89V35-V73 HydrophobicContact CG1-CB 4.47Å; V35-V73 HydrophobicContact CG1-CG1 3.81Å; V35-V73 HydrophobicContact CG1-CG2 3.95Å; V73-V76 HydrophobicContact CG1-CG1 3.77Å; V73-V83 HydrophobicContact CG2-CB 4.31Å; V73-V83 HydrophobicContact CG2-CG2 4.42Å; V73-K84 WeakPolarHBondContact CB-O 3.36Å; V73-K84 WeakPolarHBondContact CG1-O 3.46Å; V73-A85 CarbonylContact O-C 3.38Å; V73-A85 WeakPolarHBondContact O-CA 3.3Å; V73-G86 PolarHBondContact O-N 2.96Å; V73-D87 HydrophobicContact CG2-CB 4.27Å; V73-D87 PolarHBondContact N-O 3.44Å; V73-V89 HydrophobicContact CG2-CB 4.36Å; V73-V89 HydrophobicContact CG2-CG1 3.56Å; V73-V89 HydrophobicContact CG2-CG2 3.82Å
74E98.8Very high98.4Very high67 Ų6738.1 Ų38.131%0.31320%0.201SC..EExtended strand (participates in β ladder)trans-87.2-49.7174.8178.9-8516300110.3I6 R36 I72 A85 Y149I6-E74 HydrophobicContact CD1-CG 4.36Å; R36-E74 IonicContact CZ-OE2 3.86Å; R36-E74 VanDerWaalsContact CZ-OE2 3.25Å; R36-E74 IonicContact NE-OE2 2.96Å; R36-E74 PolarHBondContact NE-OE2 2.82Å; R36-E74 IonicContact NH2-OE1 3.24Å; R36-E74 PolarHBondContact NH2-OE1 2.93Å; R36-E74 IonicContact NH2-OE2 3.4Å; R36-E74 PolarHBondContact NH2-OE2 2.73Å; R36-E74 PolarHBondContact O-N 2.88Å; I72-E74 PolarHBondContact O-N 2.93Å; E74-A85 WeakPolarHBondContact O-CB 3.41Å; E74-Y149 HydrophobicContact CB-CD1 4.33Å; E74-Y149 HydrophobicContact CB-CE1 4.03Å; E74-Y149 HydrophobicContact CG-CD1 4.47Å; E74-Y149 HydrophobicContact CG-CE1 3.93Å
75S98.8Very high98.4Very high8 Ų841 Ų416%0.05623%0.225CC..EExtended strand (participates in β ladder)trans-151.5163.8176.859.80000111.5N3 R36N3-S75 VanDerWaalsContact OD1-CB 3.28Å; N3-S75 WeakPolarHBondContact OD1-CB 3.5Å; R36-S75 PolarHBondContact N-O 3.42Å; R36-S75 PolarHBondContact O-N 3.28Å
76V98.8Very high98.4Very high40 Ų4043.4 Ų43.424%0.24225%0.25CS..EExtended strand (participates in β ladder)trans-126.8150.5176.4-59.60000109.4N3 V35 V73 V80 V83N3-V76 PolarHBondContact ND2-O 3.12Å; V35-V76 HydrophobicContact CG1-CG1 4.32Å; V35-V76 HydrophobicContact CG2-CG1 4.34Å; V73-V76 HydrophobicContact CG1-CG1 3.77Å; V76-V80 HydrophobicContact CB-CB 3.89Å; V76-V80 HydrophobicContact CB-CG1 3.92Å; V76-V80 HydrophobicContact CB-CG2 4.34Å; V76-V80 HydrophobicContact CG1-CB 4.45Å; V76-V80 HydrophobicContact CG1-CG1 3.92Å; V76-V80 HydrophobicContact CG2-CB 4.32Å; V76-V83 HydrophobicContact CG1-CG2 4.18Å
77G98.4Very high98.4Very high10 Ų1044.1 Ų44.110%0.10325%0.254CS..  trans-86-179.3171.700000113.2K31 E34 V80K31-G77 VanDerWaalsContact O-CA 3.31Å; K31-G77 WeakPolarHBondContact O-CA 3.4Å; E34-G77 PolarHBondContact O-N 3.35Å; G77-V80 PolarHBondContact O-N 2.78Å
78E98.3Very high98.4Very high161 Ų16144.8 Ų44.875%0.75226%0.258SS*.THydrogen-bonded Turntrans-57142.8179.3-171.7179.7170.100112.1A32 H33 V80A32-E78 CarbonylContact C-O 3.51Å; A32-E78 VanDerWaalsContact CA-O 3.24Å; A32-E78 WeakPolarHBondContact CA-O 3.38Å; A32-E78 HydrophobicContact CB-CB 4.09Å; H33-E78 PolarHBondContact N-O 2.95Å; E78-V80 PolarHBondContact O-N 2.9Å
79G97.8Very high98.5Very high45 Ų4544.8 Ų44.846%0.46426%0.258SS..THydrogen-bonded Turntrans79-9.2176.600000115.7T81G79-T81 PolarHBondContact O-N 2.84Å
80V98.5Very high98.5Very high18 Ų1844.8 Ų44.811%0.10926%0.258CS..  trans-76.6122.6176.5-1790000110.6V35 V76 G77 E78 V83 D154V35-V80 HydrophobicContact CG2-CG1 4.02Å; V35-V80 HydrophobicContact CG2-CG2 4.45Å; V76-V80 HydrophobicContact CB-CB 3.89Å; V76-V80 HydrophobicContact CB-CG1 3.92Å; V76-V80 HydrophobicContact CB-CG2 4.34Å; V76-V80 HydrophobicContact CG1-CB 4.45Å; V76-V80 HydrophobicContact CG1-CG1 3.92Å; V76-V80 HydrophobicContact CG2-CB 4.32Å; G77-V80 PolarHBondContact O-N 2.78Å; E78-V80 PolarHBondContact O-N 2.9Å; V80-V83 HydrophobicContact CG1-CG2 3.9Å; V80-D154 HydrophobicContact CG1-CB 4.17Å; V80-D154 HydrophobicContact CG2-CB 3.88Å
81T96.9Very high98.5Very high130 Ų13044.8 Ų44.880%0.79826%0.258SS*.  trans-126-18.5-177.554.10000114.2G79G79-T81 PolarHBondContact O-N 2.84Å
82R96.1Very high98.5Very high125 Ų12544.9 Ų44.947%0.47226%0.259SS..SBendtrans-79.1-22.5-173.8-61.9178.671.9177.16.5113.6Q96R82-Q96 PolarHBondContact NH1-O 2.98Å
83V98.6Very high98.4Very high9 Ų943.9 Ų43.96%0.05525%0.251CS..  trans-139158.4178.4-650000109.9V35 V73 V76 V80 D87 V89 V157 K159V35-V83 HydrophobicContact CG1-CG2 4.16Å; V35-V83 HydrophobicContact CG2-CG2 3.75Å; V73-V83 HydrophobicContact CG2-CB 4.31Å; V73-V83 HydrophobicContact CG2-CG2 4.42Å; V76-V83 HydrophobicContact CG1-CG2 4.18Å; V80-V83 HydrophobicContact CG1-CG2 3.9Å; V83-D87 WeakPolarHBondContact CA-OD2 3.34Å; V83-V89 HydrophobicContact CG1-CG1 4.28Å; V83-V157 HydrophobicContact CG1-CG1 4.04Å; V83-K159 HydrophobicContact CG1-CB 4.04Å
84K98.6Very high98.4Very high122 Ų12244.4 Ų44.453%0.5326%0.255SS..  trans-141.3167.2175.466.4-176.8-172-57.10110.6V73 G86 D87V73-K84 WeakPolarHBondContact CB-O 3.36Å; V73-K84 WeakPolarHBondContact CG1-O 3.46Å; K84-G86 PolarHBondContact O-N 3.29Å; K84-D87 PolarHBondContact N-OD2 2.94Å; K84-D87 VanDerWaalsContact N-OD2 3.07Å; K84-D87 IonicContact NZ-OD1 2.83Å; K84-D87 PolarHBondContact NZ-OD1 2.77Å; K84-D87 IonicContact NZ-OD2 3.84Å; K84-D87 VanDerWaalsContact O-CB 3.31Å; K84-D87 WeakPolarHBondContact O-CB 3.34Å; K84-D87 PolarHBondContact O-N 2.94Å
85A98.6Very high98.4Very high60 Ų6041.5 Ų41.550%0.49624%0.242SC..THydrogen-bonded Turntrans-48.7135.1173.300000111.9V73 E74 D87V73-A85 CarbonylContact O-C 3.38Å; V73-A85 WeakPolarHBondContact O-CA 3.3Å; E74-A85 WeakPolarHBondContact O-CB 3.41Å; A85-D87 VanDerWaalsContact C-N 3.33Å
86G98.5Very high98.4Very high52 Ų5241.9 Ų41.954%0.53624%0.242SC..THydrogen-bonded Turntrans85.7-10-176.800000115.4V73 K84V73-G86 PolarHBondContact O-N 2.96Å; K84-G86 PolarHBondContact O-N 3.29Å
87D98.9Very high98.4Very high16 Ų1640.8 Ų40.89%0.08624%0.236CC..  trans-69.2136.1173.8-74.5-15.9000110.5I72 V73 V83 K84 A85 V89 K159I72-D87 WeakPolarHBondContact CA-O 3Å; V73-D87 HydrophobicContact CG2-CB 4.27Å; V73-D87 PolarHBondContact N-O 3.44Å; V83-D87 WeakPolarHBondContact CA-OD2 3.34Å; K84-D87 PolarHBondContact N-OD2 2.94Å; K84-D87 VanDerWaalsContact N-OD2 3.07Å; K84-D87 IonicContact NZ-OD1 2.83Å; K84-D87 PolarHBondContact NZ-OD1 2.77Å; K84-D87 IonicContact NZ-OD2 3.84Å; K84-D87 VanDerWaalsContact O-CB 3.31Å; K84-D87 WeakPolarHBondContact O-CB 3.34Å; K84-D87 PolarHBondContact O-N 2.94Å; A85-D87 VanDerWaalsContact C-N 3.33Å; D87-V89 HydrophobicContact CB-CG1 4.49Å; D87-K159 HydrophobicContact CB-CD 4.37Å; D87-K159 HydrophobicContact CB-CG 4.49Å; D87-K159 IonicContact OD1-NZ 2.98Å; D87-K159 PolarHBondContact OD1-NZ 3.27Å; D87-K159 WeakPolarHBondContact OD2-CE 3.38Å; D87-K159 IonicContact OD2-NZ 2.84Å; D87-K159 PolarHBondContact OD2-NZ 2.94Å
88T98.9Very high98.4Very high14 Ų1442.2 Ų42.29%0.08625%0.251CS..EExtended strand (participates in β ladder)trans-80.6129.9174.8-54.90000110.5I160 P162 L166T88-I160 HydrophobicContact CG2-CD1 3.93Å; T88-I160 HydrophobicContact CG2-CG1 3.75Å; T88-I160 WeakPolarHBondContact O-CG1 3.2Å; T88-I160 PolarHBondContact O-N 3.38Å; T88-P162 WeakPolarHBondContact OG1-CA 3.49Å; T88-L166 HydrophobicContact CG2-CD1 4.32Å; T88-L166 HydrophobicContact CG2-CD2 3.31Å; T88-L166 HydrophobicContact CG2-CG 4.3Å
89V98.9Very high98.4Very high0 Ų040 Ų400%024%0.24CC..EExtended strand (participates in β ladder)trans-143.4157.3-167.3-65.50000114.4I37 A70 G71 V73 V83 D87 V157 A158I37-V89 HydrophobicContact CD1-CG2 3.87Å; I37-V89 HydrophobicContact CG1-CG2 4.07Å; I37-V89 HydrophobicContact CG2-CG2 3.73Å; A70-V89 WeakPolarHBondContact CA-O 3.48Å; G71-V89 PolarHBondContact N-O 2.56Å; G71-V89 PolarHBondContact O-N 2.86Å; V73-V89 HydrophobicContact CG2-CB 4.36Å; V73-V89 HydrophobicContact CG2-CG1 3.56Å; V73-V89 HydrophobicContact CG2-CG2 3.82Å; V83-V89 HydrophobicContact CG1-CG1 4.28Å; D87-V89 HydrophobicContact CB-CG1 4.49Å; V89-V157 HydrophobicContact CB-CG1 3.68Å; V89-V157 HydrophobicContact CG1-CG1 3.48Å; V89-V157 VanDerWaalsContact CG1-CG1 3.48Å; V89-V157 HydrophobicContact CG2-CG1 4.27Å; V89-A158 CarbonylContact C-O 3.58Å; V89-A158 WeakPolarHBondContact CA-O 3.44Å; V89-A158 WeakPolarHBondContact CB-O 3.4Å
90I98.9Very high98.4Very high0 Ų039 Ų390%023%0.227CC..EExtended strand (participates in β ladder)trans-117.5120.9165.3-68.6170.6000107.9A70 L92 A158 I160 V169 L172 V328 V332A70-I90 HydrophobicContact CB-CG1 4.13Å; I90-L92 HydrophobicContact CG2-CD2 4.06Å; I90-A158 PolarHBondContact N-O 3.1Å; I90-A158 PolarHBondContact O-N 3.2Å; I90-I160 HydrophobicContact CD1-CD1 4.07Å; I90-I160 HydrophobicContact CD1-CG2 4.16Å; I90-I160 HydrophobicContact CG1-CD1 4.05Å; I90-I160 HydrophobicContact CG1-CG2 4.37Å; I90-V169 HydrophobicContact CD1-CB 4.19Å; I90-V169 HydrophobicContact CD1-CG2 4.25Å; I90-V169 VanDerWaalsContact CD1-O 3.25Å; I90-V169 WeakPolarHBondContact CD1-O 3.28Å; I90-L172 HydrophobicContact CD1-CB 4.26Å; I90-V328 HydrophobicContact CB-CG1 4.29Å; I90-V328 HydrophobicContact CD1-CG1 3.78Å; I90-V328 HydrophobicContact CG2-CG1 4.33Å; I90-V332 HydrophobicContact CD1-CG2 4.11Å
91P98.9Very high98.4Very high0 Ų046 Ų460%026%0.255CS..EExtended strand (participates in β ladder)trans-69.3146.2168.329.5-34.3000111.2I37 I39 G69 T143 T145 V152 S156I37-P91 HydrophobicContact CD1-CB 4.14Å; I39-P91 HydrophobicContact CD1-CG 4.34Å; G69-P91 WeakPolarHBondContact O-CD 3.37Å; P91-T143 HydrophobicContact CB-CG2 4.09Å; P91-T145 HydrophobicContact CG-CG2 3.77Å; P91-V152 HydrophobicContact CB-CG1 4.22Å; P91-S156 CarbonylContact C-O 3.55Å; P91-S156 WeakPolarHBondContact CA-O 3.41Å
92L98.8Very high98.5Very high1 Ų142.6 Ų42.61%0.00523%0.23CC..  trans-127.5123.9-167.6-57.6168.6000111.2I90 V94 S156 A158 V325 V328I90-L92 HydrophobicContact CG2-CD2 4.06Å; L92-V94 VanDerWaalsContact C-N 3.32Å; L92-S156 PolarHBondContact N-O 2.75Å; L92-S156 VanDerWaalsContact O-CB 3.28Å; L92-S156 WeakPolarHBondContact O-CB 3.28Å; L92-S156 PolarHBondContact O-OG 3.01Å; L92-A158 HydrophobicContact CD1-CB 3.73Å; L92-A158 HydrophobicContact CD2-CB 4.2Å; L92-A158 HydrophobicContact CG-CB 4.18Å; L92-V325 HydrophobicContact CD1-CB 4.44Å; L92-V325 HydrophobicContact CD1-CG2 3.71Å; L92-V328 HydrophobicContact CD2-CB 4.35Å; L92-V328 HydrophobicContact CD2-CG1 4.45Å; L92-V328 HydrophobicContact CD2-CG2 3.77Å
93Y98.4Very high98.6Very high42 Ų4237.1 Ų37.117%0.16521%0.211CC..SBendtrans-74.7-22.8174.272.9-87000113.5P95 Q118 M141 G173 C174 F319Y93-P95 WeakPolarHBondContact O-CD 3.27Å; Y93-Q118 PolarHBondContact O-NE2 2.86Å; Y93-M141 WeakPolarHBondContact CA-O 3.29Å; Y93-M141 WeakPolarHBondContact CB-O 3.49Å; Y93-M141 HydrophobicContact CD1-CE 4.01Å; Y93-M141 HydrophobicContact CD2-CE 3.45Å; Y93-M141 VanDerWaalsContact CD2-CE 3.45Å; Y93-M141 HydrophobicContact CE2-CE 4.09Å; Y93-M141 HydrophobicContact CG-CE 3.39Å; Y93-G173 WeakPolarHBondContact CD1-O 3.35Å; Y93-G173 VanDerWaalsContact CE1-O 3.22Å; Y93-G173 WeakPolarHBondContact CE1-O 3.12Å; Y93-C174 HydrophobicContact CE1-CB 4.06Å; Y93-F319 AromaticContact CE1-CD2 3.68Å; Y93-F319 HydrophobicContact CE1-CD2 3.68Å; Y93-F319 HydrophobicContact CE1-CE2 4.15Å; Y93-F319 HydrophobicContact CE1-CG 4.32Å; Y93-F319 AromaticContact CZ-CD2 3.82Å; Y93-F319 WeakPolarHBondContact OH-CB 3.14Å; Y93-F319 WeakPolarHBondContact OH-CD2 3.38Å
94V98.4Very high98.6Very high13 Ų1342.4 Ų42.48%0.07924%0.238CC..SBendtrans-97.8107.3166.7-1780000107.6L92 N109 F319 S324L92-V94 VanDerWaalsContact C-N 3.32Å; V94-N109 WeakPolarHBondContact CG1-O 3.39Å; V94-F319 HydrophobicContact CB-CB 4.45Å; V94-F319 HydrophobicContact CB-CD1 4.4Å; V94-F319 HydrophobicContact CG2-CB 3.7Å; V94-F319 HydrophobicContact CG2-CD1 4.49Å; V94-F319 HydrophobicContact CG2-CG 4.23Å; V94-S324 WeakPolarHBondContact O-CB 3.47Å; V94-S324 PolarHBondContact O-OG 2.77Å
95P98.6Very high98.6Very high6 Ų639.6 Ų39.64%0.03923%0.229CC..  trans-74.1168.4178.426.3-30.8000112.3Y93 C111 I114 I155Y93-P95 WeakPolarHBondContact O-CD 3.27Å; P95-C111 HydrophobicContact CB-CB 4.47Å; P95-C111 HydrophobicContact CG-CB 3.99Å; P95-C111 WeakPolarHBondContact O-CB 3.3Å; P95-I114 HydrophobicContact CB-CD1 4.12Å; P95-I114 HydrophobicContact CB-CG1 4.27Å; P95-I114 HydrophobicContact CG-CD1 4.07Å; P95-I114 HydrophobicContact CG-CG1 3.8Å; P95-I155 CarbonylContact C-O 3.54Å; P95-I155 WeakPolarHBondContact CA-O 3.49Å; P95-I155 HydrophobicContact CB-CB 4.41Å; P95-I155 HydrophobicContact CB-CD1 3.82Å; P95-I155 HydrophobicContact CB-CG1 3.83Å
96Q98.8Very high98.6Very high15 Ų1542.4 Ų42.47%0.0724%0.242CC..  trans-140.896.6169-175.1-174.9-11.200111.1R82 I155 K323 V325 E326R82-Q96 PolarHBondContact NH1-O 2.98Å; Q96-I155 PolarHBondContact N-O 2.58Å; Q96-K323 PolarHBondContact OE1-O 3.31Å; Q96-V325 HydrophobicContact CB-CB 3.97Å; Q96-V325 HydrophobicContact CB-CG2 3.7Å; Q96-E326 PolarHBondContact NE2-OE2 3.35Å
97C98.5Very high98.5Very high17 Ų1749 Ų4912%0.11526%0.256CS..  trans-77.8-21.9178.770.50000114E99 C100 C111 K113 I155C97-E99 HydrophobicContact CB-CG 4.04Å; C97-E99 PolarHBondContact O-N 3.41Å; C97-E99 VanDerWaalsContact SG-CG 3.6Å; C97-C100 PolarHBondContact SG-N 3.28Å; C97-C100 VanDerWaalsContact SG-N 3.38Å; C97-C100 VanDerWaalsContact SG-SG 3.61Å; C97-C111 VanDerWaalsContact SG-SG 3.65Å; C97-K113 HydrophobicContact CB-CB 4.03Å; C97-K113 HydrophobicContact CB-CG 4.08Å; C97-I155 HydrophobicContact CB-CB 4.47Å; C97-I155 HydrophobicContact CB-CD1 4.07Å; C97-I155 HydrophobicContact CB-CG2 3.99Å
98G97.9Very high98.5Very high40 Ų4049.9 Ų49.941%0.41226%0.262SS..SBendtrans78.2-5.9178.400000115.7L104G98-L104 VanDerWaalsContact O-CD2 3.28Å; G98-L104 WeakPolarHBondContact O-CD2 3.38Å
99E98.2Very high98.5Very high114 Ų11449.8 Ų49.853%0.53326%0.261SS..SBendtrans-124.1-22.8-171.358178-155.300114.2C97 L104 K113C97-E99 HydrophobicContact CB-CG 4.04Å; C97-E99 PolarHBondContact O-N 3.41Å; C97-E99 VanDerWaalsContact SG-CG 3.6Å; E99-L104 WeakPolarHBondContact O-CD1 3.31Å; E99-K113 IonicContact OE1-NZ 2.98Å; E99-K113 PolarHBondContact OE1-NZ 3.3Å
100C98.6Very high98.4Very high26 Ų2653.5 Ų53.518%0.17628%0.28CS..SBendtrans-75.3157.5179.679.10000111.3C97 F102 C103 L104C97-C100 PolarHBondContact SG-N 3.28Å; C97-C100 VanDerWaalsContact SG-N 3.38Å; C97-C100 VanDerWaalsContact SG-SG 3.61Å; C100-F102 PolarHBondContact O-N 2.82Å; C100-C103 PolarHBondContact O-N 2.97Å; C100-C103 PolarHBondContact SG-N 3.19Å; C100-C103 VanDerWaalsContact SG-SG 3.68Å; C100-L104 WeakPolarHBondContact O-CG 3.3Å; C100-L104 PolarHBondContact O-N 2.85Å
101K98.5Very high98.4Very high163 Ų16353.7 Ų53.771%0.70928%0.281SS*.THydrogen-bonded Turntrans-52-29.7-179.570.4179-176.71780114.6N105K101-N105 WeakPolarHBondContact O-CB 3.25Å; K101-N105 PolarHBondContact O-N 3.34Å
102F98.6Very high98.4Very high60 Ų6058.4 Ų58.426%0.26330%0.303SS..THydrogen-bonded Turntrans-75.1-48.4176.5-65.3-96.1000111.2C100 L104 N105 T108 L110 Q112C100-F102 PolarHBondContact O-N 2.82Å; F102-L104 VanDerWaalsContact C-N 3.26Å; F102-L104 PolarHBondContact O-N 3.4Å; F102-N105 PolarHBondContact O-N 3.15Å; F102-N105 VanDerWaalsContact O-N 3.09Å; F102-T108 HydrophobicContact CB-CG2 3.99Å; F102-T108 HydrophobicContact CD1-CG2 3.95Å; F102-T108 HydrophobicContact CG-CG2 4.46Å; F102-T108 WeakPolarHBondContact O-CG2 3.38Å; F102-L110 WeakPolarHBondContact CB-O 3.4Å; F102-L110 HydrophobicContact CD1-CB 4.33Å; F102-L110 WeakPolarHBondContact CD1-O 3.35Å; F102-L110 WeakPolarHBondContact CG-O 3.19Å; F102-Q112 HydrophobicContact CD2-CB 4.29Å; F102-Q112 HydrophobicContact CD2-CG 3.63Å; F102-Q112 HydrophobicContact CE1-CG 4.43Å; F102-Q112 HydrophobicContact CE2-CB 4.25Å; F102-Q112 HydrophobicContact CE2-CG 3.39Å; F102-Q112 HydrophobicContact CG-CG 4.26Å; F102-Q112 HydrophobicContact CZ-CG 3.84Å
103C98.6Very high98.4Very high10 Ų1064 Ų647%0.06833%0.327CS..THydrogen-bonded Turntrans-62.6-32.5176.8-71.30000112.8C100 N105 K323C100-C103 PolarHBondContact O-N 2.97Å; C100-C103 PolarHBondContact SG-N 3.19Å; C100-C103 VanDerWaalsContact SG-SG 3.68Å; C103-N105 VanDerWaalsContact C-N 3.3Å; C103-K323 PolarHBondContact O-NZ 3.04Å
104L98.6Very high98.4Very high119 Ų11962.7 Ų62.762%0.62332%0.323SS*.THydrogen-bonded Turntrans-76.2-17.5176.6-64.1178.5000113.1G98 E99 C100 F102G98-L104 VanDerWaalsContact O-CD2 3.28Å; G98-L104 WeakPolarHBondContact O-CD2 3.38Å; E99-L104 WeakPolarHBondContact O-CD1 3.31Å; C100-L104 WeakPolarHBondContact O-CG 3.3Å; C100-L104 PolarHBondContact O-N 2.85Å; F102-L104 VanDerWaalsContact C-N 3.26Å; F102-L104 PolarHBondContact O-N 3.4Å
105N98.4Very high98.3Very high64 Ų6466.5 Ų66.534%0.34234%0.336SS..  trans-91.4129-178.5-164.6-39.5000110.7K101 F102 C103 K107 T108 K323K101-N105 WeakPolarHBondContact O-CB 3.25Å; K101-N105 PolarHBondContact O-N 3.34Å; F102-N105 PolarHBondContact O-N 3.15Å; F102-N105 VanDerWaalsContact O-N 3.09Å; C103-N105 VanDerWaalsContact C-N 3.3Å; N105-K107 PolarHBondContact O-N 3.12Å; N105-K107 VanDerWaalsContact OD1-CB 3.25Å; N105-K107 WeakPolarHBondContact OD1-CB 3.42Å; N105-K107 VanDerWaalsContact OD1-CG 3.31Å; N105-K107 WeakPolarHBondContact OD1-CG 3.12Å; N105-K107 PolarHBondContact OD1-N 3.49Å; N105-T108 HydrophobicContact CB-CG2 4.35Å; N105-K323 PolarHBondContact O-NZ 3.26Å
106P97.6Very high98.2Very high118 Ų11870.8 Ų70.877%0.76636%0.362SS*.THydrogen-bonded Turntrans-71.3-11.7177.129.2-36.1000113.7T108P106-T108 VanDerWaalsContact C-N 3.3Å; P106-T108 PolarHBondContact O-N 2.89Å
107K97.6Very high98.2Very high192 Ų19271.4 Ų71.484%0.83537%0.367SS*.THydrogen-bonded Turntrans-81.6-2.9-176.7-60.5177.9180-1790114N105N105-K107 PolarHBondContact O-N 3.12Å; N105-K107 VanDerWaalsContact OD1-CB 3.25Å; N105-K107 WeakPolarHBondContact OD1-CB 3.42Å; N105-K107 VanDerWaalsContact OD1-CG 3.31Å; N105-K107 WeakPolarHBondContact OD1-CG 3.12Å; N105-K107 PolarHBondContact OD1-N 3.49Å
108T98.4Very high98.2Very high34 Ų3472 Ų7221%0.20937%0.368CS..  trans-155.6159.9-173.6-170.30000112.7F102 N105 P106 L110F102-T108 HydrophobicContact CB-CG2 3.99Å; F102-T108 HydrophobicContact CD1-CG2 3.95Å; F102-T108 HydrophobicContact CG-CG2 4.46Å; F102-T108 WeakPolarHBondContact O-CG2 3.38Å; N105-T108 HydrophobicContact CB-CG2 4.35Å; P106-T108 VanDerWaalsContact C-N 3.3Å; P106-T108 PolarHBondContact O-N 2.89Å; T108-L110 PolarHBondContact OG1-N 3.39Å
109N98.6Very high98Very high12 Ų1271.2 Ų71.26%0.06436%0.36CS..  trans-116.35.8170.265.7-28.6000113.3V94 C111 A318 W322 K323V94-N109 WeakPolarHBondContact CG1-O 3.39Å; N109-C111 PolarHBondContact O-N 2.9Å; N109-A318 PolarHBondContact ND2-O 3.33Å; N109-W322 WeakPolarHBondContact CB-O 3.17Å; N109-W322 PolarHBondContact ND2-N 3.13Å; N109-W322 PolarHBondContact ND2-O 3.44Å; N109-K323 HydrophobicContact CB-CG 4.35Å
110L98.4Very high98Very high77 Ų7771.7 Ų71.740%0.40336%0.36SS..  trans-81.473.9-171.1-62.6176.8000112.7F102 T108 Q112 A318F102-L110 WeakPolarHBondContact CB-O 3.4Å; F102-L110 HydrophobicContact CD1-CB 4.33Å; F102-L110 WeakPolarHBondContact CD1-O 3.35Å; F102-L110 WeakPolarHBondContact CG-O 3.19Å; T108-L110 PolarHBondContact OG1-N 3.39Å; L110-Q112 PolarHBondContact O-N 3.08Å; L110-A318 HydrophobicContact CD2-CB 3.72Å
111C98.6Very high98Very high5 Ų570.7 Ų70.73%0.03435%0.354CS..  trans-61.6125.4174.1-179.40000111.4P95 C97 N109P95-C111 HydrophobicContact CB-CB 4.47Å; P95-C111 HydrophobicContact CG-CB 3.99Å; P95-C111 WeakPolarHBondContact O-CB 3.3Å; C97-C111 VanDerWaalsContact SG-SG 3.65Å; N109-C111 PolarHBondContact O-N 2.9Å
112Q98.3Very high98Very high98 Ų9864.8 Ų64.846%0.45833%0.33SS..  trans-98.5-0.3-178.5-61.4-63.764.500114.3F102 L110 I114 R115F102-Q112 HydrophobicContact CD2-CB 4.29Å; F102-Q112 HydrophobicContact CD2-CG 3.63Å; F102-Q112 HydrophobicContact CE1-CG 4.43Å; F102-Q112 HydrophobicContact CE2-CB 4.25Å; F102-Q112 HydrophobicContact CE2-CG 3.39Å; F102-Q112 HydrophobicContact CG-CG 4.26Å; F102-Q112 HydrophobicContact CZ-CG 3.84Å; L110-Q112 PolarHBondContact O-N 3.08Å; Q112-I114 VanDerWaalsContact C-N 3.28Å; Q112-I114 PolarHBondContact O-N 3.44Å; Q112-I114 VanDerWaalsContact O-N 3.15Å; Q112-R115 PolarHBondContact O-N 3.18Å
113K98.4Very high98Very high118 Ų11862.2 Ų62.251%0.51332%0.319SS..THydrogen-bonded Turntrans-54.5-39.7-167.8-175.174.6-177.3-151.90113.6C97 E99 I155C97-K113 HydrophobicContact CB-CB 4.03Å; C97-K113 HydrophobicContact CB-CG 4.08Å; E99-K113 IonicContact OE1-NZ 2.98Å; E99-K113 PolarHBondContact OE1-NZ 3.3Å; K113-I155 HydrophobicContact CB-CD1 3.81Å; K113-I155 HydrophobicContact CG-CD1 3.81Å
114I98.3Very high98Very high16 Ų1664.8 Ų64.88%0.08234%0.336CS..THydrogen-bonded Turntrans-123.16.2-17762.9171.2000113.4P95 Q112 V116 T117 Q118 P124 A153 I155 S156P95-I114 HydrophobicContact CB-CD1 4.12Å; P95-I114 HydrophobicContact CB-CG1 4.27Å; P95-I114 HydrophobicContact CG-CD1 4.07Å; P95-I114 HydrophobicContact CG-CG1 3.8Å; Q112-I114 VanDerWaalsContact C-N 3.28Å; Q112-I114 PolarHBondContact O-N 3.44Å; Q112-I114 VanDerWaalsContact O-N 3.15Å; I114-V116 VanDerWaalsContact C-N 3.27Å; I114-V116 PolarHBondContact O-N 2.94Å; I114-T117 PolarHBondContact O-N 3.24Å; I114-T117 PolarHBondContact O-OG1 3.34Å; I114-T117 VanDerWaalsContact O-OG1 3.08Å; I114-Q118 WeakPolarHBondContact O-CB 3.42Å; I114-Q118 PolarHBondContact O-N 2.88Å; I114-P124 HydrophobicContact CG2-CB 4.28Å; I114-P124 HydrophobicContact CG2-CG 3.79Å; I114-A153 HydrophobicContact CD1-CB 3.7Å; I114-I155 HydrophobicContact CD1-CD1 4.19Å; I114-I155 HydrophobicContact CD1-CG1 4.24Å; I114-I155 HydrophobicContact CG1-CD1 4.14Å; I114-I155 HydrophobicContact CG2-CD1 3.8Å; I114-S156 WeakPolarHBondContact CD1-OG 3.48Å
115R96.5Very high98Very high92 Ų9262.4 Ų62.435%0.34732%0.323SS..Hα-helixtrans-51-47.3-175.1139.767.9-100.2-146.79.9111.4E58 Q112 T117 Q118 G119E58-R115 IonicContact OE1-CZ 2.73Å; E58-R115 IonicContact OE1-NH1 2.66Å; E58-R115 PolarHBondContact OE1-NH1 3.43Å; E58-R115 IonicContact OE1-NH2 2.85Å; E58-R115 IonicContact OE2-CZ 3.43Å; E58-R115 IonicContact OE2-NH1 3.63Å; E58-R115 PolarHBondContact OE2-NH1 2.83Å; E58-R115 IonicContact OE2-NH2 3.75Å; E58-R115 PolarHBondContact OE2-NH2 3.2Å; Q112-R115 PolarHBondContact O-N 3.18Å; R115-T117 PolarHBondContact O-N 3.39Å; R115-Q118 PolarHBondContact O-N 3.47Å; R115-G119 PolarHBondContact O-N 3.14Å
116V97.5Very high98Very high96 Ų9661 Ų6158%0.58233%0.325SS*.Hα-helixtrans-61.8-45.8-172.6177.30000112I114 K120I114-V116 VanDerWaalsContact C-N 3.27Å; I114-V116 PolarHBondContact O-N 2.94Å; V116-K120 WeakPolarHBondContact O-CG 3.43Å
117T98.3Very high98Very high29 Ų2958.1 Ų58.118%0.17831%0.305CS..Hα-helixtrans-74.3-40.8177.151.40000111.2I114 R115 G119 K120 G121 L122 M123I114-T117 PolarHBondContact O-N 3.24Å; I114-T117 PolarHBondContact O-OG1 3.34Å; I114-T117 VanDerWaalsContact O-OG1 3.08Å; R115-T117 PolarHBondContact O-N 3.39Å; T117-G119 PolarHBondContact O-N 2.72Å; T117-K120 CarbonylContact O-C 3.48Å; T117-K120 WeakPolarHBondContact O-CA 3.46Å; T117-K120 PolarHBondContact O-N 3.26Å; T117-G121 PolarHBondContact O-N 2.82Å; T117-L122 CarbonylContact C-O 3.56Å; T117-L122 PolarHBondContact O-N 3.46Å; T117-M123 WeakPolarHBondContact CB-O 3.26Å
118Q97.5Very high98.1Very high30 Ų3050.4 Ų50.414%0.1427%0.274CS..Hα-helixtrans-56.6-47.9179.5-175.9175.5-59.500112.4Y93 I114 R115 K120 G121 M141Y93-Q118 PolarHBondContact O-NE2 2.86Å; I114-Q118 WeakPolarHBondContact O-CB 3.42Å; I114-Q118 PolarHBondContact O-N 2.88Å; R115-Q118 PolarHBondContact O-N 3.47Å; Q118-K120 PolarHBondContact O-N 3.2Å; Q118-G121 PolarHBondContact O-N 3.44Å; Q118-M141 PolarHBondContact NE2-O 2.86Å
119G94.7Very high98.1Very high23 Ų2349.2 Ų49.224%0.23727%0.265CS..THydrogen-bonded Turntrans-76.8-1.317800000114.6R115 T117R115-G119 PolarHBondContact O-N 3.14Å; T117-G119 PolarHBondContact O-N 2.72Å
120K97.6Very high98.1Very high124 Ų12448.6 Ų48.654%0.53926%0.262SS..THydrogen-bonded Turntrans-98.53.6165.5-67.7178.6179.6-1760112.1V116 T117 Q118 L122V116-K120 WeakPolarHBondContact O-CG 3.43Å; T117-K120 CarbonylContact O-C 3.48Å; T117-K120 WeakPolarHBondContact O-CA 3.46Å; T117-K120 PolarHBondContact O-N 3.26Å; Q118-K120 PolarHBondContact O-N 3.2Å; K120-L122 HydrophobicContact CB-CD1 3.94Å; K120-L122 HydrophobicContact CB-CG 4.17Å
121G98.3Very high98.1Very high5 Ų547.3 Ų47.35%0.05226%0.257CS..THydrogen-bonded Turntrans69.834.8-175.700000114.2T117 Q118 H139T117-G121 PolarHBondContact O-N 2.82Å; Q118-G121 PolarHBondContact O-N 3.44Å; G121-H139 WeakPolarHBondContact CA-O 3.5Å; G121-H139 WeakPolarHBondContact O-CB 3.25Å; G121-H139 PolarHBondContact O-N 2.83Å
122L98.8Very high98.1Very high38 Ų3847.2 Ų47.220%0.19926%0.257CS..  trans-126.1152.3-175-56.6170.9000112T117 K120 T128 F138T117-L122 CarbonylContact C-O 3.56Å; T117-L122 PolarHBondContact O-N 3.46Å; K120-L122 HydrophobicContact CB-CD1 3.94Å; K120-L122 HydrophobicContact CB-CG 4.17Å; L122-T128 HydrophobicContact CD2-CG2 3.73Å; L122-F138 HydrophobicContact CD2-CD1 4.27Å; L122-F138 HydrophobicContact CD2-CE1 4.31Å
123M98.7Very high98.1Very high7 Ų749.5 Ų49.53%0.03427%0.265CS..  trans-66.8166.6166.1-69.2-52.9-68.600111.3E34 T117 D125 G126 T127 R129 V151E34-M123 HydrophobicContact CB-CE 3.95Å; E34-M123 HydrophobicContact CG-CE 3.38Å; E34-M123 WeakPolarHBondContact OE1-CB 3.44Å; E34-M123 WeakPolarHBondContact OE1-CE 3.34Å; T117-M123 WeakPolarHBondContact CB-O 3.26Å; M123-D125 PolarHBondContact O-N 3.47Å; M123-G126 PolarHBondContact O-N 3.13Å; M123-T127 WeakPolarHBondContact CB-O 3.43Å; M123-T127 PolarHBondContact N-O 3.08Å; M123-R129 HydrophobicContact CG-CG 3.77Å; M123-V151 HydrophobicContact CE-CG1 4.05Å
124P98.4Very high97.9Very high63 Ų6347.5 Ų47.541%0.40928%0.278SS..THydrogen-bonded Turntrans-57-23.7-178.8-27.237.2000114.8I114 G126 A153I114-P124 HydrophobicContact CG2-CB 4.28Å; I114-P124 HydrophobicContact CG2-CG 3.79Å; P124-G126 VanDerWaalsContact C-N 3.25Å; P124-G126 PolarHBondContact O-N 2.94Å; P124-A153 HydrophobicContact CG-CB 4.06Å
125D98.3Very high97.9Very high69 Ų6952.9 Ų52.937%0.36930%0.301SS..THydrogen-bonded Turntrans-81.93175.375.6-11.4000114.3K31 M123 T127 R129K31-D125 VanDerWaalsContact CD-OD2 3.32Å; K31-D125 WeakPolarHBondContact CD-OD2 3.46Å; K31-D125 WeakPolarHBondContact CE-OD2 3.47Å; K31-D125 IonicContact NZ-OD2 3.19Å; K31-D125 PolarHBondContact NZ-OD2 3.22Å; M123-D125 PolarHBondContact O-N 3.47Å; D125-T127 PolarHBondContact OD1-N 2.94Å; D125-T127 PolarHBondContact OD1-OG1 2.91Å; D125-T127 PolarHBondContact OD2-OG1 2.93Å; D125-R129 IonicContact OD1-NH1 2.73Å; D125-R129 IonicContact OD1-NH2 3.25Å; D125-R129 PolarHBondContact OD1-NH2 2.82Å; D125-R129 IonicContact OD2-CZ 3.7Å; D125-R129 IonicContact OD2-NH1 2.96Å; D125-R129 IonicContact OD2-NH2 2.63Å; D125-R129 PolarHBondContact OD2-NH2 3.35Å
126G98.4Very high98Very high36 Ų3652.3 Ų52.337%0.37131%0.309SS..SBendtrans7915.217900000114.8M123 P124M123-G126 PolarHBondContact O-N 3.13Å; P124-G126 VanDerWaalsContact C-N 3.25Å; P124-G126 PolarHBondContact O-N 2.94Å
127T98.6Very high98.1Very high57 Ų5747.7 Ų47.735%0.3528%0.281SS..  trans-122.5167.2179.5660000112.5M123 D125 R129M123-T127 WeakPolarHBondContact CB-O 3.43Å; M123-T127 PolarHBondContact N-O 3.08Å; D125-T127 PolarHBondContact OD1-N 2.94Å; D125-T127 PolarHBondContact OD1-OG1 2.91Å; D125-T127 PolarHBondContact OD2-OG1 2.93Å; T127-R129 PolarHBondContact OG1-NH1 3.48Å
128T98.6Very high98.1Very high29 Ų2949.5 Ų49.518%0.17829%0.287CS..  trans-93.2168.9173.770.50000111.1L122 F130 L137 F138L122-T128 HydrophobicContact CD2-CG2 3.73Å; T128-F130 PolarHBondContact OG1-O 2.94Å; T128-L137 WeakPolarHBondContact CB-O 3.43Å; T128-L137 VanDerWaalsContact CG2-O 3.23Å; T128-L137 WeakPolarHBondContact CG2-O 3.28Å; T128-F138 HydrophobicContact CG2-CD1 4.25Å
129R98.8Very high98.2Very high9 Ų948.4 Ų48.43%0.03428%0.282CS..SBendtrans-117.51.4173.8-65.1-74.4173.3-81.6-5.2112.4V27 A28 E34 M123 D125 T127 H139 V151V27-R129 CarbonylContact C-O 3.56Å; V27-R129 WeakPolarHBondContact CA-O 3.47Å; A28-R129 HydrophobicContact CB-CB 4.3Å; A28-R129 PolarHBondContact N-O 2.85Å; E34-R129 IonicContact OE1-CZ 2.72Å; E34-R129 IonicContact OE1-NE 3.44Å; E34-R129 IonicContact OE1-NH2 3.39Å; E34-R129 PolarHBondContact OE1-NH2 2.77Å; E34-R129 IonicContact OE2-CZ 2.92Å; E34-R129 VanDerWaalsContact OE2-CZ 3.29Å; E34-R129 IonicContact OE2-NE 3.12Å; E34-R129 PolarHBondContact OE2-NE 3.47Å; E34-R129 IonicContact OE2-NH2 3.91Å; E34-R129 PolarHBondContact OE2-NH2 3.3Å; M123-R129 HydrophobicContact CG-CG 3.77Å; D125-R129 IonicContact OD1-NH1 2.73Å; D125-R129 IonicContact OD1-NH2 3.25Å; D125-R129 PolarHBondContact OD1-NH2 2.82Å; D125-R129 IonicContact OD2-CZ 3.7Å; D125-R129 IonicContact OD2-NH1 2.96Å; D125-R129 IonicContact OD2-NH2 2.63Å; D125-R129 PolarHBondContact OD2-NH2 3.35Å; T127-R129 PolarHBondContact OG1-NH1 3.48Å; R129-H139 PolarHBondContact N-NE2 2.94Å; R129-H139 VanDerWaalsContact N-NE2 3.12Å; R129-V151 HydrophobicContact CB-CB 3.91Å; R129-V151 HydrophobicContact CB-CG2 3.94Å; R129-V151 HydrophobicContact CG-CB 3.78Å; R129-V151 HydrophobicContact CG-CG1 3.86Å; R129-V151 HydrophobicContact CG-CG2 4.11Å
130F98.9Very high98.3Very high0 Ų048 Ų480%027%0.274CS..EExtended strand (participates in β ladder)trans-115.6131.3-175.9-61.1-60.6000110.1E26 V27 I64 T128 P136 L137 H139E26-F130 WeakPolarHBondContact O-CA 3.46Å; V27-F130 HydrophobicContact CB-CD1 4.47Å; V27-F130 HydrophobicContact CB-CE1 4.43Å; V27-F130 HydrophobicContact CG1-CD1 4.28Å; V27-F130 HydrophobicContact CG1-CE1 3.93Å; V27-F130 HydrophobicContact CG2-CD1 3.9Å; V27-F130 HydrophobicContact CG2-CE1 3.82Å; I64-F130 HydrophobicContact CD1-CB 4.16Å; I64-F130 HydrophobicContact CD1-CD1 3.82Å; I64-F130 HydrophobicContact CD1-CD2 4Å; I64-F130 HydrophobicContact CD1-CE1 4.13Å; I64-F130 HydrophobicContact CD1-CE2 4.28Å; I64-F130 HydrophobicContact CD1-CG 3.74Å; I64-F130 HydrophobicContact CD1-CZ 4.34Å; T128-F130 PolarHBondContact OG1-O 2.94Å; F130-P136 WeakPolarHBondContact O-CA 3.5Å; F130-L137 HydrophobicContact CB-CB 3.8Å; F130-L137 HydrophobicContact CB-CD1 4.38Å; F130-L137 HydrophobicContact CB-CG 4.39Å; F130-L137 PolarHBondContact O-N 3.4Å; F130-H139 AromaticContact CD2-CE1 3.71Å; F130-H139 AromaticContact CD2-ND1 3.91Å; F130-H139 AromaticContact CD2-NE2 3.86Å; F130-H139 AromaticContact CE2-CE1 3.3Å; F130-H139 WeakPolarHBondContact CE2-CE1 3.38Å; F130-H139 AromaticContact CE2-CG 3.97Å; F130-H139 AromaticContact CE2-ND1 3.32Å; F130-H139 VanDerWaalsContact CE2-ND1 3.32Å; F130-H139 WeakPolarHBondContact CE2-ND1 3.21Å; F130-H139 AromaticContact CE2-NE2 3.93Å
131T98.8Very high98.4Very high49 Ų4943.8 Ų43.830%0.30126%0.256SS..EExtended strand (participates in β ladder)trans-128.4142.2167.943.20000110E26 K135E26-T131 VanDerWaalsContact CB-OG1 3.3Å; E26-T131 WeakPolarHBondContact CB-OG1 3.42Å; E26-T131 PolarHBondContact N-O 3.15Å; E26-T131 PolarHBondContact O-N 3.06Å; E26-T131 PolarHBondContact OE2-OG1 3.36Å; T131-K135 CarbonylContact C-O 3.33Å; T131-K135 VanDerWaalsContact CA-O 3.28Å; T131-K135 WeakPolarHBondContact CA-O 3.2Å
132C98.7Very high98.4Very high3 Ų344 Ų442%0.0226%0.259CS..EExtended strand (participates in β ladder)trans-145.2130.6175-179.30000108.9W14 V25 G134 K135 L137W14-C132 HydrophobicContact CH2-CB 4.08Å; W14-C132 HydrophobicContact CZ2-CB 4.39Å; V25-C132 HydrophobicContact CB-CB 4.47Å; V25-C132 HydrophobicContact CG1-CB 3.93Å; C132-G134 PolarHBondContact O-N 2.67Å; C132-G134 VanDerWaalsContact O-N 3.17Å; C132-K135 PolarHBondContact N-O 3.21Å; C132-K135 PolarHBondContact O-N 3.41Å; C132-L137 HydrophobicContact CB-CD1 3.61Å; C132-L137 HydrophobicContact CB-CD2 4.14Å; C132-L137 HydrophobicContact CB-CG 4Å
133K97.6Very high98.4Very high146 Ų14642.2 Ų42.264%0.63525%0.249SC*.THydrogen-bonded Turntrans51.739.4-178.2-60.4169.6-177.5167.70112.4W14 E23 K135W14-K133 HydrophobicContact CZ2-CD 4.27Å; E23-K133 IonicContact OE1-NZ 2.8Å; E23-K133 PolarHBondContact OE1-NZ 3.08Å; E23-K133 WeakPolarHBondContact OE2-CE 3.45Å; E23-K133 IonicContact OE2-NZ 2.7Å; E23-K133 PolarHBondContact OE2-NZ 2.63Å; K133-K135 PolarHBondContact O-N 2.91Å
134G95.6Very high98.4Very high76 Ų7641.9 Ų41.978%0.78425%0.248SC*.THydrogen-bonded Turntrans71.96-178.600000115.7C132C132-G134 PolarHBondContact O-N 2.67Å; C132-G134 VanDerWaalsContact O-N 3.17Å
135K97.5Very high98.4Very high129 Ų12938.9 Ų38.956%0.56123%0.228SC*.EExtended strand (participates in β ladder)trans-108.3140.8178.5-63.1-177.4179.6-179.20111.2T131 C132 K133T131-K135 CarbonylContact C-O 3.33Å; T131-K135 VanDerWaalsContact CA-O 3.28Å; T131-K135 WeakPolarHBondContact CA-O 3.2Å; C132-K135 PolarHBondContact N-O 3.21Å; C132-K135 PolarHBondContact O-N 3.41Å; K133-K135 PolarHBondContact O-N 2.91Å
136P98.4Very high98.4Very high80 Ų8035.6 Ų35.652%0.51921%0.21SC..EExtended strand (participates in β ladder)trans-66.9141.4170.629.2-33.5000110.4F130F130-P136 WeakPolarHBondContact O-CA 3.5Å
137L98.9Very high98.5Very high0 Ų033.9 Ų33.90%019%0.193CC..EExtended strand (participates in β ladder)trans-109.9137.5169.7-50.5179.4000109.3V12 W14 V25 P62 I64 T128 F130 C132V12-L137 HydrophobicContact CG1-CD1 4.02Å; V12-L137 HydrophobicContact CG1-CD2 3.99Å; V12-L137 HydrophobicContact CG2-CD1 3.73Å; W14-L137 HydrophobicContact CH2-CD2 3.96Å; W14-L137 HydrophobicContact CZ3-CD2 3.87Å; V25-L137 HydrophobicContact CG1-CD1 4.03Å; P62-L137 HydrophobicContact CB-CD2 3.83Å; P62-L137 HydrophobicContact CG-CD2 3.72Å; I64-L137 HydrophobicContact CD1-CD1 3.94Å; I64-L137 HydrophobicContact CG1-CD1 4.06Å; T128-L137 WeakPolarHBondContact CB-O 3.43Å; T128-L137 VanDerWaalsContact CG2-O 3.23Å; T128-L137 WeakPolarHBondContact CG2-O 3.28Å; F130-L137 HydrophobicContact CB-CB 3.8Å; F130-L137 HydrophobicContact CB-CD1 4.38Å; F130-L137 HydrophobicContact CB-CG 4.39Å; F130-L137 PolarHBondContact O-N 3.4Å; C132-L137 HydrophobicContact CB-CD1 3.61Å; C132-L137 HydrophobicContact CB-CD2 4.14Å; C132-L137 HydrophobicContact CB-CG 4Å
138F98.9Very high98.5Very high67 Ų6733.9 Ų33.929%0.29419%0.189SC..BIsolated β-bridgetrans-70.9154.4175.7-68.1-71000111.8C60 P62 V63 I64 L122 T128C60-F138 HydrophobicContact CB-CD2 4.03Å; C60-F138 HydrophobicContact CB-CE2 4.36Å; C60-F138 HydrophobicContact CB-CG 4.29Å; P62-F138 WeakPolarHBondContact O-CD2 3.38Å; P62-F138 PolarHBondContact O-N 2.97Å; V63-F138 HydrophobicContact CB-CB 4.16Å; V63-F138 HydrophobicContact CG2-CB 4.12Å; V63-F138 WeakPolarHBondContact CG2-O 3.47Å; I64-F138 PolarHBondContact N-O 3.01Å; L122-F138 HydrophobicContact CD2-CD1 4.27Å; L122-F138 HydrophobicContact CD2-CE1 4.31Å; T128-F138 HydrophobicContact CG2-CD1 4.25Å
139H98.9Very high98.5Very high6 Ų634.6 Ų34.63%0.02819%0.189CC..  trans-82.3160.6165.7-70.5-101.7000111G121 R129 F130 S144 V151G121-H139 WeakPolarHBondContact CA-O 3.5Å; G121-H139 WeakPolarHBondContact O-CB 3.25Å; G121-H139 PolarHBondContact O-N 2.83Å; R129-H139 PolarHBondContact N-NE2 2.94Å; R129-H139 VanDerWaalsContact N-NE2 3.12Å; F130-H139 AromaticContact CD2-CE1 3.71Å; F130-H139 AromaticContact CD2-ND1 3.91Å; F130-H139 AromaticContact CD2-NE2 3.86Å; F130-H139 AromaticContact CE2-CE1 3.3Å; F130-H139 WeakPolarHBondContact CE2-CE1 3.38Å; F130-H139 AromaticContact CE2-CG 3.97Å; F130-H139 AromaticContact CE2-ND1 3.32Å; F130-H139 VanDerWaalsContact CE2-ND1 3.32Å; F130-H139 WeakPolarHBondContact CE2-ND1 3.21Å; F130-H139 AromaticContact CE2-NE2 3.93Å; H139-S144 VanDerWaalsContact CA-OG 3.29Å; H139-S144 WeakPolarHBondContact CA-OG 3.32Å; H139-V151 PolarHBondContact CE1-O 2.97Å; H139-V151 VanDerWaalsContact CE1-O 3.28Å
140F98.7Very high98.5Very high16 Ų1634.2 Ų34.27%0.0719%0.187CC..SBendtrans-126.6126.6177.2-179.3-111.9000110.5T47 D48 T51 V63 I64 L65 H67 G142 T143 S144T47-F140 HydrophobicContact CG2-CZ 4.3Å; D48-F140 VanDerWaalsContact OD1-CE1 3.23Å; D48-F140 WeakPolarHBondContact OD1-CE1 3.08Å; T51-F140 HydrophobicContact CG2-CD2 4.33Å; T51-F140 HydrophobicContact CG2-CE2 3.84Å; T51-F140 VanDerWaalsContact OG1-CE2 3.31Å; T51-F140 WeakPolarHBondContact OG1-CE2 3.4Å; V63-F140 HydrophobicContact CG2-CB 3.85Å; I64-F140 WeakPolarHBondContact O-CB 3.18Å; L65-F140 HydrophobicContact CB-CD1 4.23Å; L65-F140 HydrophobicContact CB-CG 4.46Å; L65-F140 HydrophobicContact CD2-CB 4.21Å; L65-F140 HydrophobicContact CD2-CD1 4.08Å; L65-F140 HydrophobicContact CD2-CD2 3.61Å; L65-F140 HydrophobicContact CD2-CE1 4.32Å; L65-F140 HydrophobicContact CD2-CE2 3.91Å; L65-F140 HydrophobicContact CD2-CG 3.69Å; L65-F140 HydrophobicContact CD2-CZ 4.23Å; H67-F140 AromaticContact ND1-CE1 3.9Å; F140-G142 PolarHBondContact O-N 2.85Å; F140-T143 PolarHBondContact O-N 3.12Å; F140-T143 PolarHBondContact O-OG1 2.82Å; F140-T143 VanDerWaalsContact O-OG1 3.12Å; F140-S144 PolarHBondContact N-OG 2.69Å; F140-S144 PolarHBondContact O-N 3.14Å; F140-S144 VanDerWaalsContact O-N 3.14Å
141M98.2Very high98.5Very high35 Ų3534.2 Ų34.217%0.17219%0.187CC..THydrogen-bonded Turntrans52.119.2178.6-68.218065.100114.5T47 H67 Y93 Q118 T143T47-M141 HydrophobicContact CG2-CE 4.35Å; T47-M141 HydrophobicContact CG2-SD 3.67Å; H67-M141 HydrophobicContact CB-CB 4.17Å; H67-M141 HydrophobicContact CB-CE 4.05Å; H67-M141 HydrophobicContact CB-SD 3.91Å; Y93-M141 WeakPolarHBondContact CA-O 3.29Å; Y93-M141 WeakPolarHBondContact CB-O 3.49Å; Y93-M141 HydrophobicContact CD1-CE 4.01Å; Y93-M141 HydrophobicContact CD2-CE 3.45Å; Y93-M141 VanDerWaalsContact CD2-CE 3.45Å; Y93-M141 HydrophobicContact CE2-CE 4.09Å; Y93-M141 HydrophobicContact CG-CE 3.39Å; Q118-M141 PolarHBondContact NE2-O 2.86Å; M141-T143 PolarHBondContact O-N 3Å
142G98.3Very high98.5Very high10 Ų1031.9 Ų31.910%0.10317%0.173CC..THydrogen-bonded Turntrans67.322.4-175.200000114.2F140 V152F140-G142 PolarHBondContact O-N 2.85Å; G142-V152 VanDerWaalsContact O-CG1 3.27Å; G142-V152 WeakPolarHBondContact O-CG1 3.49Å
143T98.9Very high98.5Very high0 Ų031.9 Ų31.90%017%0.173CC..THydrogen-bonded Turntrans-132.8-53.4-172.3520000112.9G66 H67 P91 F140 M141 T145 T150G66-T143 PolarHBondContact O-OG1 3.42Å; H67-T143 VanDerWaalsContact CA-OG1 3.26Å; H67-T143 WeakPolarHBondContact CA-OG1 3.48Å; H67-T143 VanDerWaalsContact CB-OG1 3.3Å; H67-T143 WeakPolarHBondContact CB-OG1 3.42Å; P91-T143 HydrophobicContact CB-CG2 4.09Å; F140-T143 PolarHBondContact O-N 3.12Å; F140-T143 PolarHBondContact O-OG1 2.82Å; F140-T143 VanDerWaalsContact O-OG1 3.12Å; M141-T143 PolarHBondContact O-N 3Å; T143-T145 PolarHBondContact O-N 2.82Å; T143-T150 WeakPolarHBondContact O-CB 3.38Å; T143-T150 WeakPolarHBondContact O-CG2 3.19Å; T143-T150 PolarHBondContact O-OG1 3.4Å
144S98.9Very high98.6Very high0 Ų026.2 Ų26.20%015%0.15CC..  trans47.954176.9-73.10000114I64 L65 G66 H139 F140 F146I64-S144 WeakPolarHBondContact O-CB 3.43Å; I64-S144 PolarHBondContact O-OG 3.1Å; L65-S144 CarbonylContact O-C 3.55Å; L65-S144 WeakPolarHBondContact O-CA 3.43Å; G66-S144 WeakPolarHBondContact O-CA 3.31Å; G66-S144 PolarHBondContact O-N 2.69Å; G66-S144 VanDerWaalsContact O-N 3.1Å; H139-S144 VanDerWaalsContact CA-OG 3.29Å; H139-S144 WeakPolarHBondContact CA-OG 3.32Å; F140-S144 PolarHBondContact N-OG 2.69Å; F140-S144 PolarHBondContact O-N 3.14Å; F140-S144 VanDerWaalsContact O-N 3.14Å; S144-F146 VanDerWaalsContact C-N 3.26Å; S144-F146 PolarHBondContact O-N 2.9Å
145T98.9Very high98.7Very high0 Ų023.7 Ų23.70%012%0.118CC..  trans-78.4-5.6-172.164.50000114.1I39 T42 L65 G66 H67 P91 T143 S147I39-T145 HydrophobicContact CD1-CG2 4.33Å; T42-T145 WeakPolarHBondContact OG1-CB 3.46Å; T42-T145 PolarHBondContact OG1-OG1 3.18Å; L65-T145 PolarHBondContact O-N 2.89Å; G66-T145 WeakPolarHBondContact CA-OG1 3.16Å; G66-T145 PolarHBondContact O-N 2.86Å; G66-T145 PolarHBondContact O-OG1 2.88Å; H67-T145 PolarHBondContact N-OG1 3.21Å; P91-T145 HydrophobicContact CG-CG2 3.77Å; T143-T145 PolarHBondContact O-N 2.82Å; T145-S147 PolarHBondContact O-N 3.17Å
146F98.9Very high98.8Very high0 Ų017.5 Ų17.50%09%0.091CC..SBendtrans-80.851.9171.4-60.1-12.3000111.8A10 A11 L20 T42 V44 D48 I64 L65 G66 S144 F352 I355A10-F146 WeakPolarHBondContact CA-O 3.3Å; A11-F146 HydrophobicContact CB-CB 4.16Å; A11-F146 PolarHBondContact N-O 2.89Å; L20-F146 HydrophobicContact CD1-CD2 4.1Å; L20-F146 HydrophobicContact CD1-CE2 4.3Å; T42-F146 HydrophobicContact CG2-CD1 3.81Å; T42-F146 HydrophobicContact CG2-CE1 4.17Å; V44-F146 HydrophobicContact CB-CZ 4.48Å; V44-F146 HydrophobicContact CG2-CE1 4.24Å; V44-F146 HydrophobicContact CG2-CZ 3.85Å; D48-F146 HydrophobicContact CB-CE2 4.14Å; D48-F146 HydrophobicContact CB-CZ 4.15Å; I64-F146 HydrophobicContact CG2-CB 4.14Å; I64-F146 VanDerWaalsContact CG2-O 3.29Å; I64-F146 WeakPolarHBondContact CG2-O 3.26Å; L65-F146 HydrophobicContact CB-CD2 3.6Å; L65-F146 HydrophobicContact CB-CE2 3.72Å; L65-F146 WeakPolarHBondContact O-CB 3.4Å; L65-F146 WeakPolarHBondContact O-CG 3.5Å; L65-F146 PolarHBondContact O-N 2.87Å; G66-F146 VanDerWaalsContact CA-CD1 3.49Å; S144-F146 VanDerWaalsContact C-N 3.26Å; S144-F146 PolarHBondContact O-N 2.9Å; F146-F352 VanDerWaalsContact C-CZ 3.43Å; F146-F352 HydrophobicContact CB-CE2 4.13Å; F146-F352 HydrophobicContact CB-CZ 4.21Å; F146-F352 WeakPolarHBondContact O-CZ 3.28Å; F146-I355 HydrophobicContact CB-CD1 4.05Å; F146-I355 HydrophobicContact CD1-CD1 3.84Å; F146-I355 HydrophobicContact CD2-CD1 3.45Å; F146-I355 VanDerWaalsContact CD2-CD1 3.45Å; F146-I355 HydrophobicContact CE1-CD1 4.14Å; F146-I355 HydrophobicContact CE2-CD1 3.79Å; F146-I355 HydrophobicContact CG-CD1 3.51Å; F146-I355 HydrophobicContact CZ-CD1 4.13Å
147S98.9Very high98.8Very high0 Ų013.9 Ų13.90%07%0.068CC..BIsolated β-bridgetrans-156.8143.1177178.20000109.2I39 T145 Y149 L374I39-S147 WeakPolarHBondContact CB-O 3.35Å; I39-S147 WeakPolarHBondContact CG1-O 3.39Å; T145-S147 PolarHBondContact O-N 3.17Å; S147-Y149 VanDerWaalsContact CB-O 3.31Å; S147-Y149 WeakPolarHBondContact CB-O 3.37Å; S147-Y149 PolarHBondContact O-N 3.39Å; S147-Y149 PolarHBondContact OG-N 3.02Å; S147-Y149 PolarHBondContact OG-O 3.29Å; S147-L374 VanDerWaalsContact O-CD2 3.24Å; S147-L374 WeakPolarHBondContact O-CD2 2.85Å
148E98.9Very high98.8Very high56 Ų5613.9 Ų13.926%0.2627%0.068SC..SBendtrans-57.3-31.9175-71.9-179.3136.600112C8 K9 K38 I39 L374C8-E148 WeakPolarHBondContact CA-OE2 3.29Å; C8-E148 HydrophobicContact CB-CB 3.92Å; C8-E148 VanDerWaalsContact CB-OE2 3.29Å; C8-E148 WeakPolarHBondContact CB-OE2 3.39Å; K9-E148 HydrophobicContact CB-CG 4.11Å; K9-E148 PolarHBondContact N-OE2 2.94Å; K9-E148 PolarHBondContact O-N 2.96Å; K38-E148 CarbonylContact C-O 3.57Å; K38-E148 WeakPolarHBondContact CA-O 3.18Å; I39-E148 PolarHBondContact N-O 3.24Å; E148-L374 HydrophobicContact CG-CB 4.37Å; E148-L374 HydrophobicContact CG-CD2 4.31Å
149Y98.9Very high98.8Very high45 Ų4515.1 Ų15.118%0.1767%0.073CC..EExtended strand (participates in β ladder)trans-131.1138.3172.5-66.7-95.8000111.2I6 C8 I37 K38 E74 S147I6-Y149 HydrophobicContact CD1-CD1 3.86Å; I6-Y149 HydrophobicContact CD1-CE1 3.93Å; I6-Y149 HydrophobicContact CD1-CG 4.21Å; I6-Y149 HydrophobicContact CG2-CD2 3.74Å; I6-Y149 HydrophobicContact CG2-CE2 4.03Å; I6-Y149 HydrophobicContact CG2-CG 4.14Å; C8-Y149 HydrophobicContact CB-CD2 3.77Å; C8-Y149 HydrophobicContact CB-CE2 4.39Å; I37-Y149 VanDerWaalsContact O-CA 3.3Å; I37-Y149 WeakPolarHBondContact O-CA 3.37Å; K38-Y149 HydrophobicContact CB-CD1 3.94Å; K38-Y149 HydrophobicContact CB-CE1 3.52Å; K38-Y149 HydrophobicContact CD-CE1 4.22Å; K38-Y149 HydrophobicContact CG-CD1 4.36Å; K38-Y149 HydrophobicContact CG-CE1 3.76Å; K38-Y149 HydrophobicContact CG-CE2 4.38Å; E74-Y149 HydrophobicContact CB-CD1 4.33Å; E74-Y149 HydrophobicContact CB-CE1 4.03Å; E74-Y149 HydrophobicContact CG-CD1 4.47Å; E74-Y149 HydrophobicContact CG-CE1 3.93Å; S147-Y149 VanDerWaalsContact CB-O 3.31Å; S147-Y149 WeakPolarHBondContact CB-O 3.37Å; S147-Y149 PolarHBondContact O-N 3.39Å; S147-Y149 PolarHBondContact OG-N 3.02Å; S147-Y149 PolarHBondContact OG-O 3.29Å
150T98.9Very high98.8Very high0 Ų015.3 Ų15.30%07%0.074CC..EExtended strand (participates in β ladder)trans-131.4158.6173.5-172.30000111.1R36 I37 I39 T143 V152R36-T150 CarbonylContact C-O 3.51Å; R36-T150 VanDerWaalsContact CA-O 3.29Å; R36-T150 WeakPolarHBondContact CA-O 3.35Å; R36-T150 WeakPolarHBondContact CG-O 3.32Å; I37-T150 HydrophobicContact CB-CG2 4.2Å; I37-T150 PolarHBondContact N-O 2.92Å; I37-T150 PolarHBondContact O-N 3.49Å; I39-T150 HydrophobicContact CD1-CG2 3.78Å; I39-T150 HydrophobicContact CG1-CG2 3.96Å; T143-T150 WeakPolarHBondContact O-CB 3.38Å; T143-T150 WeakPolarHBondContact O-CG2 3.19Å; T143-T150 PolarHBondContact O-OG1 3.4Å; T150-V152 HydrophobicContact CG2-CG1 4.15Å
151V98.9Very high98.8Very high0 Ų017.5 Ų17.50%09%0.086CC..EExtended strand (participates in β ladder)trans-119.3127.2172.6-176.70000108.5V27 P30 E34 V35 R36 M123 R129 H139V27-V151 HydrophobicContact CG1-CG2 3.79Å; P30-V151 HydrophobicContact CB-CG1 4.21Å; E34-V151 HydrophobicContact CB-CG1 3.88Å; V35-V151 WeakPolarHBondContact O-CA 3.45Å; R36-V151 HydrophobicContact CB-CG2 4.07Å; R36-V151 HydrophobicContact CG-CG2 3.88Å; M123-V151 HydrophobicContact CE-CG1 4.05Å; R129-V151 HydrophobicContact CB-CB 3.91Å; R129-V151 HydrophobicContact CB-CG2 3.94Å; R129-V151 HydrophobicContact CG-CB 3.78Å; R129-V151 HydrophobicContact CG-CG1 3.86Å; R129-V151 HydrophobicContact CG-CG2 4.11Å; H139-V151 PolarHBondContact CE1-O 2.97Å; H139-V151 VanDerWaalsContact CE1-O 3.28Å
152V98.9Very high98.8Very high0 Ų020.8 Ų20.80%011%0.11CC..EExtended strand (participates in β ladder)trans-129.9161.4-177.2-58.20000110.6E34 V35 I37 P91 G142 T150 V157E34-V152 CarbonylContact C-O 3.6Å; E34-V152 WeakPolarHBondContact CA-O 3.01Å; V35-V152 HydrophobicContact CB-CG2 4.3Å; V35-V152 PolarHBondContact N-O 3.27Å; V35-V152 PolarHBondContact O-N 2.91Å; I37-V152 HydrophobicContact CD1-CG2 3.61Å; I37-V152 HydrophobicContact CG1-CG2 4.38Å; P91-V152 HydrophobicContact CB-CG1 4.22Å; G142-V152 VanDerWaalsContact O-CG1 3.27Å; G142-V152 WeakPolarHBondContact O-CG1 3.49Å; T150-V152 HydrophobicContact CG2-CG1 4.15Å; V152-V157 HydrophobicContact CG2-CG2 3.49Å; V152-V157 VanDerWaalsContact CG2-CG2 3.49Å
153A98.9Very high98.8Very high4 Ų424.1 Ų24.13%0.03313%0.132CC..EExtended strand (participates in β ladder)trans-67.6143.9172.400000109.9I114 P124 I155 S156I114-A153 HydrophobicContact CD1-CB 3.7Å; P124-A153 HydrophobicContact CG-CB 4.06Å; A153-I155 HydrophobicContact CB-CG1 4.13Å; A153-I155 PolarHBondContact O-N 2.92Å; A153-S156 WeakPolarHBondContact O-CA 3.43Å; A153-S156 WeakPolarHBondContact O-CB 3.23Å; A153-S156 PolarHBondContact O-N 2.98Å
154D98.7Very high98.8Very high27 Ų2724.4 Ų24.414%0.14414%0.135CC..G310 helixtrans-59.9-30.2-178.865.2-6.3000113.9H33 V35 V80 S156 V157H33-D154 IonicContact CG-OD2 3.81Å; H33-D154 IonicContact ND1-OD2 2.72Å; H33-D154 PolarHBondContact ND1-OD2 3.23Å; H33-D154 PolarHBondContact O-N 3.29Å; V35-D154 HydrophobicContact CG2-CB 3.94Å; V80-D154 HydrophobicContact CG1-CB 4.17Å; V80-D154 HydrophobicContact CG2-CB 3.88Å; D154-S156 PolarHBondContact O-N 2.87Å; D154-V157 PolarHBondContact O-N 2.86Å
155I98.8Very high98.8Very high22 Ų2226.5 Ų26.511%0.11315%0.148CC..G310 helixtrans-73.2-5.5173.664170.3000114.2P95 Q96 C97 K113 I114 A153 V325P95-I155 CarbonylContact C-O 3.54Å; P95-I155 WeakPolarHBondContact CA-O 3.49Å; P95-I155 HydrophobicContact CB-CB 4.41Å; P95-I155 HydrophobicContact CB-CD1 3.82Å; P95-I155 HydrophobicContact CB-CG1 3.83Å; Q96-I155 PolarHBondContact N-O 2.58Å; C97-I155 HydrophobicContact CB-CB 4.47Å; C97-I155 HydrophobicContact CB-CD1 4.07Å; C97-I155 HydrophobicContact CB-CG2 3.99Å; K113-I155 HydrophobicContact CB-CD1 3.81Å; K113-I155 HydrophobicContact CG-CD1 3.81Å; I114-I155 HydrophobicContact CD1-CD1 4.19Å; I114-I155 HydrophobicContact CD1-CG1 4.24Å; I114-I155 HydrophobicContact CG1-CD1 4.14Å; I114-I155 HydrophobicContact CG2-CD1 3.8Å; A153-I155 HydrophobicContact CB-CG1 4.13Å; A153-I155 PolarHBondContact O-N 2.92Å; I155-V325 WeakPolarHBondContact O-CG2 3.29Å
156S98.9Very high98.8Very high0 Ų027.5 Ų27.50%015%0.153CC..G310 helixtrans-106.523.7177.5-65.40000111.9P91 L92 I114 A153 D154P91-S156 CarbonylContact C-O 3.55Å; P91-S156 WeakPolarHBondContact CA-O 3.41Å; L92-S156 PolarHBondContact N-O 2.75Å; L92-S156 VanDerWaalsContact O-CB 3.28Å; L92-S156 WeakPolarHBondContact O-CB 3.28Å; L92-S156 PolarHBondContact O-OG 3.01Å; I114-S156 WeakPolarHBondContact CD1-OG 3.48Å; A153-S156 WeakPolarHBondContact O-CA 3.43Å; A153-S156 WeakPolarHBondContact O-CB 3.23Å; A153-S156 PolarHBondContact O-N 2.98Å; D154-S156 PolarHBondContact O-N 2.87Å
157V98.9Very high98.8Very high4 Ų430.5 Ų30.52%0.02417%0.169CC..EExtended strand (participates in β ladder)trans-124.3118.6-177.1-173.80000110.7V35 I37 V83 V89 V152 D154 V325V35-V157 HydrophobicContact CB-CG2 4.04Å; V35-V157 HydrophobicContact CG1-CG2 4.31Å; V35-V157 HydrophobicContact CG2-CG2 4.07Å; I37-V157 HydrophobicContact CD1-CG2 4.28Å; V83-V157 HydrophobicContact CG1-CG1 4.04Å; V89-V157 HydrophobicContact CB-CG1 3.68Å; V89-V157 HydrophobicContact CG1-CG1 3.48Å; V89-V157 VanDerWaalsContact CG1-CG1 3.48Å; V89-V157 HydrophobicContact CG2-CG1 4.27Å; V152-V157 HydrophobicContact CG2-CG2 3.49Å; V152-V157 VanDerWaalsContact CG2-CG2 3.49Å; D154-V157 PolarHBondContact O-N 2.86Å; V157-V325 WeakPolarHBondContact O-CG1 3.4Å
158A98.9Very high98.8Very high0 Ų032.1 Ų32.10%018%0.176CC..EExtended strand (participates in β ladder)trans-94.4118167.800000109.5V89 I90 L92 I160 V328 P329V89-A158 CarbonylContact C-O 3.58Å; V89-A158 WeakPolarHBondContact CA-O 3.44Å; V89-A158 WeakPolarHBondContact CB-O 3.4Å; I90-A158 PolarHBondContact N-O 3.1Å; I90-A158 PolarHBondContact O-N 3.2Å; L92-A158 HydrophobicContact CD1-CB 3.73Å; L92-A158 HydrophobicContact CD2-CB 4.2Å; L92-A158 HydrophobicContact CG-CB 4.18Å; A158-I160 HydrophobicContact CB-CG2 4.46Å; A158-V328 HydrophobicContact CB-CB 3.89Å; A158-V328 HydrophobicContact CB-CG1 3.9Å; A158-P329 HydrophobicContact CB-CG 4.25Å
159K98.9Very high98.7Very high92 Ų9229.5 Ų29.540%0.416%0.164SC..EExtended strand (participates in β ladder)trans-78.9126.7168.9179.5175.2177.6160.70110.1V83 D87 P329V83-K159 HydrophobicContact CG1-CB 4.04Å; D87-K159 HydrophobicContact CB-CD 4.37Å; D87-K159 HydrophobicContact CB-CG 4.49Å; D87-K159 IonicContact OD1-NZ 2.98Å; D87-K159 PolarHBondContact OD1-NZ 3.27Å; D87-K159 WeakPolarHBondContact OD2-CE 3.38Å; D87-K159 IonicContact OD2-NZ 2.84Å; D87-K159 PolarHBondContact OD2-NZ 2.94Å; K159-P329 WeakPolarHBondContact O-CB 3.44Å; K159-P329 WeakPolarHBondContact O-CG 3.31Å
160I98.9Very high98.7Very high11 Ų1127.3 Ų27.36%0.05616%0.156CC..  trans-120.9177.4-172.765162.9000111.9T88 I90 A158 A164 L166 V169 V328 P329 V332T88-I160 HydrophobicContact CG2-CD1 3.93Å; T88-I160 HydrophobicContact CG2-CG1 3.75Å; T88-I160 WeakPolarHBondContact O-CG1 3.2Å; T88-I160 PolarHBondContact O-N 3.38Å; I90-I160 HydrophobicContact CD1-CD1 4.07Å; I90-I160 HydrophobicContact CD1-CG2 4.16Å; I90-I160 HydrophobicContact CG1-CD1 4.05Å; I90-I160 HydrophobicContact CG1-CG2 4.37Å; A158-I160 HydrophobicContact CB-CG2 4.46Å; I160-A164 HydrophobicContact CD1-CB 4.28Å; I160-L166 HydrophobicContact CD1-CD2 4.19Å; I160-V169 HydrophobicContact CD1-CG2 3.7Å; I160-V328 HydrophobicContact CG2-CG1 4.49Å; I160-P329 HydrophobicContact CG2-CB 4.5Å; I160-P329 HydrophobicContact CG2-CG 4.39Å; I160-V332 HydrophobicContact CB-CB 4.44Å; I160-V332 HydrophobicContact CB-CG1 4.35Å; I160-V332 HydrophobicContact CB-CG2 4.06Å; I160-V332 HydrophobicContact CD1-CG2 4.19Å; I160-V332 HydrophobicContact CG2-CG2 3.83Å
161D98.5Very high98.7Very high61 Ų6127.3 Ų27.333%0.32616%0.156SC..  trans-58.2124.1173.5-171.4-38.1000110.1S163 A164 V332D161-S163 VanDerWaalsContact CG-OG 3.3Å; D161-S163 PolarHBondContact O-N 3.21Å; D161-S163 WeakPolarHBondContact OD1-CB 3.11Å; D161-S163 PolarHBondContact OD1-N 3.25Å; D161-S163 PolarHBondContact OD1-OG 3.45Å; D161-A164 HydrophobicContact CB-CB 4.39Å; D161-A164 WeakPolarHBondContact O-CB 3.41Å; D161-A164 PolarHBondContact O-N 3.28Å; D161-A164 VanDerWaalsContact O-N 3.16Å; D161-V332 HydrophobicContact CB-CG1 4.16Å
162P98.5Very high98.7Very high105 Ų10527.3 Ų27.368%0.68216%0.156SC*.THydrogen-bonded Turntrans-67-16-178.428.3-35.8000114.2T88T88-P162 WeakPolarHBondContact OG1-CA 3.49Å
163S98.4Very high98.7Very high80 Ų8027.3 Ų27.356%0.55916%0.156SC*.THydrogen-bonded Turntrans-87.4-7.6176.370.80000113.8D161D161-S163 VanDerWaalsContact CG-OG 3.3Å; D161-S163 PolarHBondContact O-N 3.21Å; D161-S163 WeakPolarHBondContact OD1-CB 3.11Å; D161-S163 PolarHBondContact OD1-N 3.25Å; D161-S163 PolarHBondContact OD1-OG 3.45Å
164A98.6Very high98.6Very high6 Ų627.6 Ų27.65%0.0516%0.157CC..SBendtrans-67.6134.1-177.700000111.9I160 D161 L166 V169 V332 M336I160-A164 HydrophobicContact CD1-CB 4.28Å; D161-A164 HydrophobicContact CB-CB 4.39Å; D161-A164 WeakPolarHBondContact O-CB 3.41Å; D161-A164 PolarHBondContact O-N 3.28Å; D161-A164 VanDerWaalsContact O-N 3.16Å; A164-L166 PolarHBondContact O-N 3.26Å; A164-L166 VanDerWaalsContact O-N 3.14Å; A164-V169 HydrophobicContact CB-CG1 4.05Å; A164-V169 HydrophobicContact CB-CG2 4.27Å; A164-V332 HydrophobicContact CB-CG1 3.68Å; A164-M336 HydrophobicContact CB-SD 4.09Å
165P98.6Very high98.5Very high43 Ų4326.3 Ų26.328%0.27915%0.15SC..  trans-68.8109.9178.527.5-34.4000111.2D167 K168 V169 Y335P165-D167 VanDerWaalsContact C-N 3.25Å; P165-D167 PolarHBondContact O-N 3.09Å; P165-K168 HydrophobicContact CB-CB 4.42Å; P165-K168 HydrophobicContact CB-CG 3.95Å; P165-K168 HydrophobicContact CG-CB 4.05Å; P165-K168 HydrophobicContact CG-CG 3.84Å; P165-K168 WeakPolarHBondContact O-CB 3.45Å; P165-K168 PolarHBondContact O-N 3.42Å; P165-V169 WeakPolarHBondContact O-CG2 3.34Å; P165-V169 PolarHBondContact O-N 3.39Å; P165-Y335 HydrophobicContact CG-CE1 3.8Å; P165-Y335 WeakPolarHBondContact CG-OH 3.16Å
166L98.8Very high98.5Very high22 Ų2225.4 Ų25.412%0.11515%0.146CC..Hα-helixtrans-65.3-26.7-173.3-58.6178.4000113.7I40 A70 I72 T88 I160 A164 K168 V169 C170I40-L166 HydrophobicContact CB-CB 4.27Å; I40-L166 HydrophobicContact CB-CD1 3.81Å; I40-L166 HydrophobicContact CG1-CD1 3.71Å; I40-L166 HydrophobicContact CG2-CB 4.2Å; I40-L166 HydrophobicContact CG2-CD1 4.1Å; A70-L166 HydrophobicContact CB-CB 3.94Å; A70-L166 HydrophobicContact CB-CD2 3.82Å; A70-L166 HydrophobicContact CB-CG 4.42Å; I72-L166 HydrophobicContact CG1-CD1 4.27Å; T88-L166 HydrophobicContact CG2-CD1 4.32Å; T88-L166 HydrophobicContact CG2-CD2 3.31Å; T88-L166 HydrophobicContact CG2-CG 4.3Å; I160-L166 HydrophobicContact CD1-CD2 4.19Å; A164-L166 PolarHBondContact O-N 3.26Å; A164-L166 VanDerWaalsContact O-N 3.14Å; L166-K168 PolarHBondContact O-N 3.3Å; L166-V169 HydrophobicContact CD2-CG2 4.12Å; L166-C170 WeakPolarHBondContact O-CB 3.48Å; L166-C170 PolarHBondContact O-N 2.65Å
167D98.4Very high98.5Very high63 Ų6325.4 Ų25.434%0.33715%0.146SC..Hα-helixtrans-73.3-1.8172.567.8-53.6000113.7A41 P165 V371A41-D167 HydrophobicContact CB-CB 4.22Å; P165-D167 VanDerWaalsContact C-N 3.25Å; P165-D167 PolarHBondContact O-N 3.09Å; D167-V371 HydrophobicContact CB-CG1 4.37Å
168K98.6Very high98.5Very high34 Ų3425.8 Ų25.815%0.14815%0.148CC..Hα-helixtrans-114.1-54.7172.6-51-61.6-179.3-120.20110.7P165 L166 C170 L171 Y335 V342 V346P165-K168 HydrophobicContact CB-CB 4.42Å; P165-K168 HydrophobicContact CB-CG 3.95Å; P165-K168 HydrophobicContact CG-CB 4.05Å; P165-K168 HydrophobicContact CG-CG 3.84Å; P165-K168 WeakPolarHBondContact O-CB 3.45Å; P165-K168 PolarHBondContact O-N 3.42Å; L166-K168 PolarHBondContact O-N 3.3Å; K168-C170 PolarHBondContact O-N 3.33Å; K168-C170 VanDerWaalsContact O-N 3.1Å; K168-L171 WeakPolarHBondContact O-CG 3.45Å; K168-L171 PolarHBondContact O-N 2.97Å; K168-Y335 HydrophobicContact CB-CE1 4.41Å; K168-V342 HydrophobicContact CB-CG1 4.04Å; K168-V342 WeakPolarHBondContact O-CG1 3.15Å; K168-V346 HydrophobicContact CD-CG2 4.24Å
169V98.8Very high98.5Very high0 Ų025.8 Ų25.80%015%0.148CC..Hα-helixtrans-70.2-10.3-172.1-59.60000114A70 I90 I160 A164 P165 L166 L171 L172 V332 Y335A70-V169 HydrophobicContact CB-CG2 4.18Å; I90-V169 HydrophobicContact CD1-CB 4.19Å; I90-V169 HydrophobicContact CD1-CG2 4.25Å; I90-V169 VanDerWaalsContact CD1-O 3.25Å; I90-V169 WeakPolarHBondContact CD1-O 3.28Å; I160-V169 HydrophobicContact CD1-CG2 3.7Å; A164-V169 HydrophobicContact CB-CG1 4.05Å; A164-V169 HydrophobicContact CB-CG2 4.27Å; P165-V169 WeakPolarHBondContact O-CG2 3.34Å; P165-V169 PolarHBondContact O-N 3.39Å; L166-V169 HydrophobicContact CD2-CG2 4.12Å; V169-L171 PolarHBondContact O-N 3.39Å; V169-L171 VanDerWaalsContact O-N 3.14Å; V169-L172 HydrophobicContact CB-CD1 4.16Å; V169-L172 HydrophobicContact CG1-CD1 4.18Å; V169-L172 WeakPolarHBondContact O-CB 3.37Å; V169-L172 PolarHBondContact O-N 2.99Å; V169-V332 HydrophobicContact CB-CG2 4.27Å; V169-V332 HydrophobicContact CG1-CG1 4.38Å; V169-V332 HydrophobicContact CG1-CG2 4.24Å; V169-Y335 HydrophobicContact CG1-CD1 3.64Å; V169-Y335 HydrophobicContact CG1-CE1 3.75Å
170C98.6Very high98.5Very high0 Ų021.8 Ų21.80%013%0.131CC..G310 helixtrans-54.1-28.9169.360.90000112.9E68 A70 L166 K168 L172 G173E68-C170 CarbonylContact C-O 3.56Å; A70-C170 HydrophobicContact CB-CB 3.86Å; L166-C170 WeakPolarHBondContact O-CB 3.48Å; L166-C170 PolarHBondContact O-N 2.65Å; K168-C170 PolarHBondContact O-N 3.33Å; K168-C170 VanDerWaalsContact O-N 3.1Å; C170-L172 VanDerWaalsContact C-N 3.28Å; C170-L172 PolarHBondContact O-N 2.9Å; C170-G173 PolarHBondContact O-N 3.15Å
171L98.7Very high98.5Very high0 Ų021.3 Ų21.30%013%0.128CC..G310 helixtrans-71.2-19.6177.2-57.2-172.6000114A43 E68 K168 V169 G173 C174 V176 V342 F345 V346 R369 V371A43-L171 HydrophobicContact CB-CD2 3.42Å; A43-L171 VanDerWaalsContact CB-CD2 3.42Å; E68-L171 WeakPolarHBondContact OE2-CD2 3.41Å; K168-L171 WeakPolarHBondContact O-CG 3.45Å; K168-L171 PolarHBondContact O-N 2.97Å; V169-L171 PolarHBondContact O-N 3.39Å; V169-L171 VanDerWaalsContact O-N 3.14Å; L171-G173 PolarHBondContact O-N 2.84Å; L171-C174 PolarHBondContact O-N 3.14Å; L171-V176 HydrophobicContact CB-CG2 3.92Å; L171-V342 HydrophobicContact CB-CG1 4.3Å; L171-V342 HydrophobicContact CD1-CG1 4.29Å; L171-F345 HydrophobicContact CD1-CB 3.78Å; L171-V346 HydrophobicContact CD1-CG2 3.74Å; L171-R369 HydrophobicContact CD1-CB 4.03Å; L171-R369 HydrophobicContact CD1-CG 4Å; L171-R369 HydrophobicContact CD2-CB 3.9Å; L171-R369 HydrophobicContact CD2-CG 3.81Å; L171-V371 HydrophobicContact CD2-CG2 4.29Å
172L98.8Very high98.5Very high0 Ų018.4 Ų18.40%011%0.112CC..G310 helixtrans-74.9-6177.5-62.4177.3000112.4I90 V169 C170 C174 V176 S177 L331 V332 I340 V342I90-L172 HydrophobicContact CD1-CB 4.26Å; V169-L172 HydrophobicContact CB-CD1 4.16Å; V169-L172 HydrophobicContact CG1-CD1 4.18Å; V169-L172 WeakPolarHBondContact O-CB 3.37Å; V169-L172 PolarHBondContact O-N 2.99Å; C170-L172 VanDerWaalsContact C-N 3.28Å; C170-L172 PolarHBondContact O-N 2.9Å; L172-C174 VanDerWaalsContact C-N 3.33Å; L172-V176 HydrophobicContact CD2-CB 4.16Å; L172-V176 HydrophobicContact CD2-CG1 3.81Å; L172-S177 WeakPolarHBondContact CA-OG 3.24Å; L172-S177 PolarHBondContact O-OG 2.93Å; L172-L331 HydrophobicContact CD1-CB 4.33Å; L172-L331 HydrophobicContact CD2-CB 4.48Å; L172-V332 HydrophobicContact CD1-CB 4.4Å; L172-V332 HydrophobicContact CD1-CG2 3.65Å; L172-I340 HydrophobicContact CD2-CD1 4.22Å; L172-V342 HydrophobicContact CD1-CG2 4.48Å; L172-V342 HydrophobicContact CD2-CG2 3.96Å; L172-V342 HydrophobicContact CG-CG2 4.31Å
173G98Very high98.5Very high0 Ų013.4 Ų13.40%08%0.08CC..G310 helixtrans-73.7-16.2171.500000114.6Y93 C170 L171 F319Y93-G173 WeakPolarHBondContact CD1-O 3.35Å; Y93-G173 VanDerWaalsContact CE1-O 3.22Å; Y93-G173 WeakPolarHBondContact CE1-O 3.12Å; C170-G173 PolarHBondContact O-N 3.15Å; L171-G173 PolarHBondContact O-N 2.84Å; G173-F319 VanDerWaalsContact O-CE2 3.26Å; G173-F319 WeakPolarHBondContact O-CE2 2.98Å
174C98.2Very high98.6Very high10 Ų1011.4 Ų11.47%0.0686%0.064CC..THydrogen-bonded Turntrans-151.5-93-179.8-174.50000114.4H67 E68 Y93 L171 L172 V176 S177 T178H67-C174 PolarHBondContact NE2-SG 3.48Å; E68-C174 HydrophobicContact CG-CB 3.45Å; E68-C174 VanDerWaalsContact CG-CB 3.45Å; E68-C174 WeakPolarHBondContact OE1-CB 3.49Å; Y93-C174 HydrophobicContact CE1-CB 4.06Å; L171-C174 PolarHBondContact O-N 3.14Å; L172-C174 VanDerWaalsContact C-N 3.33Å; C174-V176 PolarHBondContact O-N 3.27Å; C174-S177 PolarHBondContact O-N 3.46Å; C174-T178 WeakPolarHBondContact O-CB 3.35Å; C174-T178 PolarHBondContact O-N 3.08Å; C174-T178 PolarHBondContact O-OG1 3.37Å
175G96.1Very high98.6Very high0 Ų013.6 Ų13.60%08%0.075CC..Hα-helixtrans-63.3-42.9-159.700000115.2E68 T178 G179E68-G175 PolarHBondContact OE1-N 2.85Å; G175-T178 PolarHBondContact O-N 2.76Å; G175-G179 PolarHBondContact O-N 2.93Å
176V98.6Very high98.6Very high2 Ų212.9 Ų12.91%0.0127%0.07CC..Hα-helixtrans-64.6-51-179177.40000110.4L171 L172 C174 T178 G179 Y180 A206 M209 F345L171-V176 HydrophobicContact CB-CG2 3.92Å; L172-V176 HydrophobicContact CD2-CB 4.16Å; L172-V176 HydrophobicContact CD2-CG1 3.81Å; C174-V176 PolarHBondContact O-N 3.27Å; V176-T178 VanDerWaalsContact C-N 3.27Å; V176-T178 PolarHBondContact O-N 2.89Å; V176-G179 PolarHBondContact O-N 3.34Å; V176-Y180 WeakPolarHBondContact O-CB 3.44Å; V176-Y180 PolarHBondContact O-N 2.97Å; V176-A206 WeakPolarHBondContact O-CB 3.39Å; V176-M209 HydrophobicContact CG1-CE 4.15Å; V176-F345 HydrophobicContact CG1-CE2 3.97Å; V176-F345 HydrophobicContact CG1-CZ 4.33Å; V176-F345 HydrophobicContact CG2-CD1 4.15Å; V176-F345 HydrophobicContact CG2-CD2 3.77Å; V176-F345 HydrophobicContact CG2-CE1 4.27Å; V176-F345 HydrophobicContact CG2-CE2 3.87Å; V176-F345 HydrophobicContact CG2-CG 3.9Å; V176-F345 HydrophobicContact CG2-CZ 4.13Å
177S98.8Very high98.6Very high1 Ų112.3 Ų12.31%0.0077%0.069CC..Hα-helixtrans-60.3-38.9177.3-580000111.7L172 C174 G181 W322 L331L172-S177 WeakPolarHBondContact CA-OG 3.24Å; L172-S177 PolarHBondContact O-OG 2.93Å; C174-S177 PolarHBondContact O-N 3.46Å; S177-G181 PolarHBondContact O-N 2.93Å; S177-W322 PolarHBondContact O-NE1 2.95Å; S177-L331 VanDerWaalsContact OG-CD1 3.28Å; S177-L331 WeakPolarHBondContact OG-CD1 3.46Å
178T98.9Very high98.6Very high12 Ų1216.2 Ų16.27%0.0748%0.083CC..Hα-helixtrans-63.4-53.2179.5-60.50000112C174 G175 V176 A182 V292 T317 G320C174-T178 WeakPolarHBondContact O-CB 3.35Å; C174-T178 PolarHBondContact O-N 3.08Å; C174-T178 PolarHBondContact O-OG1 3.37Å; G175-T178 PolarHBondContact O-N 2.76Å; V176-T178 VanDerWaalsContact C-N 3.27Å; V176-T178 PolarHBondContact O-N 2.89Å; T178-A182 WeakPolarHBondContact O-CB 3.25Å; T178-A182 PolarHBondContact O-N 2.96Å; T178-V292 HydrophobicContact CG2-CG1 3.53Å; T178-T317 HydrophobicContact CG2-CG2 4.47Å; T178-G320 WeakPolarHBondContact O-CA 3.43Å
179G98.8Very high98.6Very high0 Ų015.1 Ų15.10%08%0.079CC..Hα-helixtrans-65.7-43.7-179.800000112.5G175 V176 G181 A182 A183 A206 V207G175-G179 PolarHBondContact O-N 2.93Å; V176-G179 PolarHBondContact O-N 3.34Å; G179-G181 PolarHBondContact O-N 3.26Å; G179-A182 WeakPolarHBondContact O-CB 3.41Å; G179-A182 PolarHBondContact O-N 2.93Å; G179-A183 PolarHBondContact O-N 3.05Å; G179-A206 CarbonylContact C-O 3.56Å; G179-V207 WeakPolarHBondContact O-CA 3.15Å; G179-V207 WeakPolarHBondContact O-CG2 3.44Å
180Y98.9Very high98.6Very high8 Ų820 Ų203%0.03110%0.102CC..Hα-helixtrans-59.2-49.4177.2179.4-126.7000111.6V176 A182 A183 V184 A206 M209 V213 W322 L331 E334 I340V176-Y180 WeakPolarHBondContact O-CB 3.44Å; V176-Y180 PolarHBondContact O-N 2.97Å; Y180-A182 VanDerWaalsContact C-N 3.34Å; Y180-A182 PolarHBondContact O-N 2.71Å; Y180-A183 PolarHBondContact O-N 3.18Å; Y180-V184 HydrophobicContact CD2-CG1 4.25Å; Y180-V184 HydrophobicContact CE1-CG2 4.37Å; Y180-V184 HydrophobicContact CE2-CG1 3.84Å; Y180-V184 HydrophobicContact CE2-CG2 4.46Å; Y180-V184 WeakPolarHBondContact O-CG2 3.39Å; Y180-V184 PolarHBondContact O-N 3.42Å; Y180-V184 VanDerWaalsContact O-N 3.09Å; Y180-A206 PolarHBondContact N-O 3.07Å; Y180-M209 HydrophobicContact CD2-CE 4.16Å; Y180-M209 HydrophobicContact CG-CE 4.25Å; Y180-V213 HydrophobicContact CE2-CB 4.27Å; Y180-V213 HydrophobicContact CE2-CG1 4.18Å; Y180-V213 HydrophobicContact CE2-CG2 4.42Å; Y180-W322 HydrophobicContact CD1-CH2 4.46Å; Y180-W322 AromaticContact CD1-CZ2 3.63Å; Y180-W322 HydrophobicContact CD1-CZ2 3.63Å; Y180-W322 HydrophobicContact CE1-CH2 4.26Å; Y180-W322 AromaticContact CE1-CZ2 3.87Å; Y180-W322 HydrophobicContact CE1-CZ2 3.87Å; Y180-L331 HydrophobicContact CD1-CD2 3.68Å; Y180-L331 HydrophobicContact CE1-CD2 3.64Å; Y180-E334 WeakPolarHBondContact CE1-OE2 3.44Å; Y180-E334 PolarHBondContact OH-OE2 3.49Å; Y180-I340 HydrophobicContact CE1-CG2 4.08Å; Y180-I340 HydrophobicContact CE2-CG2 4.05Å
181G98.9Very high98.6Very high0 Ų025.2 Ų25.20%014%0.135CC..Hα-helixtrans-67.4-30.4178.500000113.9S177 G179 A183 V184 N185 T186 G320S177-G181 PolarHBondContact O-N 2.93Å; G179-G181 PolarHBondContact O-N 3.26Å; G181-A183 PolarHBondContact O-N 3.37Å; G181-V184 PolarHBondContact O-N 2.9Å; G181-N185 WeakPolarHBondContact O-CA 3.28Å; G181-N185 VanDerWaalsContact O-CB 3.28Å; G181-N185 WeakPolarHBondContact O-CB 3.42Å; G181-N185 PolarHBondContact O-N 2.95Å; G181-T186 PolarHBondContact O-N 3.36Å; G181-T186 VanDerWaalsContact O-N 3.15Å; G181-G320 CarbonylContact C-O 3.54Å; G181-G320 VanDerWaalsContact C-O 3.23Å; G181-G320 VanDerWaalsContact CA-O 3.23Å; G181-G320 WeakPolarHBondContact CA-O 3.32Å
182A98.9Very high98.6Very high0 Ų027.4 Ų27.40%016%0.158CC..Iπ-helixtrans-55.6-45.2173.200000110.7T178 G179 Y180 T186 A187 V207 F266 V292 T317T178-A182 WeakPolarHBondContact O-CB 3.25Å; T178-A182 PolarHBondContact O-N 2.96Å; G179-A182 WeakPolarHBondContact O-CB 3.41Å; G179-A182 PolarHBondContact O-N 2.93Å; Y180-A182 VanDerWaalsContact C-N 3.34Å; Y180-A182 PolarHBondContact O-N 2.71Å; A182-T186 WeakPolarHBondContact O-CB 3.41Å; A182-A187 WeakPolarHBondContact O-CB 3.27Å; A182-A187 PolarHBondContact O-N 3.34Å; A182-V207 HydrophobicContact CB-CG2 4.24Å; A182-F266 HydrophobicContact CB-CD1 4.13Å; A182-F266 HydrophobicContact CB-CE1 4.2Å; A182-V292 HydrophobicContact CB-CG2 3.83Å; A182-T317 HydrophobicContact CB-CG2 3.87Å
183A98.9Very high98.6Very high0 Ų027.9 Ų27.90%016%0.162CC..Iπ-helixtrans-70.8-55177.400000112.2G179 Y180 G181 K188 V189 F266G179-A183 PolarHBondContact O-N 3.05Å; Y180-A183 PolarHBondContact O-N 3.18Å; G181-A183 PolarHBondContact O-N 3.37Å; A183-K188 WeakPolarHBondContact O-CA 3.26Å; A183-K188 PolarHBondContact O-N 3.1Å; A183-V189 HydrophobicContact CB-CG2 4.27Å; A183-V189 PolarHBondContact O-N 3.08Å; A183-V189 VanDerWaalsContact O-N 3.12Å; A183-F266 HydrophobicContact CB-CZ 4.33Å
184V98.8Very high98.6Very high38 Ų3829.2 Ų29.223%0.2317%0.17CC..Iπ-helixtrans-85.2-26-167.7-54.50000114.6Y180 G181 W322Y180-V184 HydrophobicContact CD2-CG1 4.25Å; Y180-V184 HydrophobicContact CE1-CG2 4.37Å; Y180-V184 HydrophobicContact CE2-CG1 3.84Å; Y180-V184 HydrophobicContact CE2-CG2 4.46Å; Y180-V184 WeakPolarHBondContact O-CG2 3.39Å; Y180-V184 PolarHBondContact O-N 3.42Å; Y180-V184 VanDerWaalsContact O-N 3.09Å; G181-V184 PolarHBondContact O-N 2.9Å; V184-W322 HydrophobicContact CG2-CH2 3.77Å; V184-W322 HydrophobicContact CG2-CZ2 3.73Å
185N98.8Very high98.7Very high52 Ų5228.7 Ų28.728%0.27817%0.166SC..Iπ-helixtrans-105.2-48.6-178.4-60.3-36.2000113G181 K188 G320 W322G181-N185 WeakPolarHBondContact O-CA 3.28Å; G181-N185 VanDerWaalsContact O-CB 3.28Å; G181-N185 WeakPolarHBondContact O-CB 3.42Å; G181-N185 PolarHBondContact O-N 2.95Å; N185-K188 WeakPolarHBondContact O-CE 3.37Å; N185-K188 VanDerWaalsContact O-CG 3.25Å; N185-K188 WeakPolarHBondContact O-CG 3.34Å; N185-G320 WeakPolarHBondContact CB-O 3.23Å; N185-G320 PolarHBondContact ND2-O 2.78Å; N185-W322 WeakPolarHBondContact ND2-CH2 3.34Å; N185-W322 WeakPolarHBondContact ND2-CZ2 3.33Å; N185-W322 WeakPolarHBondContact ND2-CZ3 3.38Å
186T98.8Very high98.8Very high28 Ų2828.7 Ų28.717%0.17217%0.166CC..Iπ-helixtrans-81.9-54.7-172.6-55.90000111.8G181 A182 V290 T317G181-T186 PolarHBondContact O-N 3.36Å; G181-T186 VanDerWaalsContact O-N 3.15Å; A182-T186 WeakPolarHBondContact O-CB 3.41Å; T186-V290 HydrophobicContact CG2-CG1 3.88Å; T186-V290 HydrophobicContact CG2-CG2 4.27Å; T186-T317 WeakPolarHBondContact OG1-CB 3.39Å; T186-T317 PolarHBondContact OG1-OG1 2.98Å
187A98.8Very high98.8Very high11 Ų1128.6 Ų28.69%0.09117%0.166CC..Iπ-helixtrans-73.3-40.6174.600000111.2A182 V189 F264 F266 V290A182-A187 WeakPolarHBondContact O-CB 3.27Å; A182-A187 PolarHBondContact O-N 3.34Å; A187-V189 HydrophobicContact CB-CG2 3.9Å; A187-F264 HydrophobicContact CB-CD1 3.66Å; A187-F264 HydrophobicContact CB-CE1 4Å; A187-F264 HydrophobicContact CB-CG 4.46Å; A187-F264 WeakPolarHBondContact O-CE1 3.4Å; A187-F266 HydrophobicContact CB-CE1 3.68Å; A187-F266 HydrophobicContact CB-CZ 3.55Å; A187-V290 HydrophobicContact CB-CG2 4.02Å
188K98.7Very high98.8Very high144 Ų14428.7 Ų28.763%0.62617%0.166SC*.  trans57.249.8-169.8-56.7-173.7174.9-174.50111.5A183 N185 E190A183-K188 WeakPolarHBondContact O-CA 3.26Å; A183-K188 PolarHBondContact O-N 3.1Å; N185-K188 WeakPolarHBondContact O-CE 3.37Å; N185-K188 VanDerWaalsContact O-CG 3.25Å; N185-K188 WeakPolarHBondContact O-CG 3.34Å; K188-E190 PolarHBondContact O-N 2.86Å
189V98.9Very high98.8Very high11 Ų1128.3 Ų28.37%0.06717%0.165CC..PPolyproline II helixtrans-48.4126.5-179.9177.10000110.3A183 A187 A214 A216 F264 F266A183-V189 HydrophobicContact CB-CG2 4.27Å; A183-V189 PolarHBondContact O-N 3.08Å; A183-V189 VanDerWaalsContact O-N 3.12Å; A187-V189 HydrophobicContact CB-CG2 3.9Å; V189-A214 HydrophobicContact CB-CB 3.95Å; V189-A214 HydrophobicContact CG1-CB 4.04Å; V189-A214 WeakPolarHBondContact O-CB 3.48Å; V189-A216 HydrophobicContact CG1-CB 4.2Å; V189-F264 HydrophobicContact CB-CD2 4.49Å; V189-F264 HydrophobicContact CG1-CD2 4.34Å; V189-F264 HydrophobicContact CG2-CB 4.38Å; V189-F264 HydrophobicContact CG2-CD1 4.39Å; V189-F264 HydrophobicContact CG2-CD2 4.08Å; V189-F264 HydrophobicContact CG2-CG 4.01Å; V189-F266 HydrophobicContact CG2-CE2 4.32Å; V189-F266 HydrophobicContact CG2-CZ 3.83Å
190E98.7Very high98.8Very high104 Ų10428.4 Ų28.449%0.48617%0.165SC..PPolyproline II helixtrans-87.3155.7176.6-56.987.7165.500112.2K188 G192 S193 F264K188-E190 PolarHBondContact O-N 2.86Å; E190-G192 PolarHBondContact O-N 2.97Å; E190-S193 VanDerWaalsContact O-CB 3.31Å; E190-S193 WeakPolarHBondContact O-CB 3.22Å; E190-S193 PolarHBondContact O-N 2.93Å; E190-S193 PolarHBondContact O-OG 3.34Å; E190-F264 WeakPolarHBondContact OE2-CE2 3.44Å; E190-F264 WeakPolarHBondContact OE2-CZ 3.32Å
191P98.8Very high98.6Very high108 Ų10829.4 Ų29.470%0.70118%0.177SC*.THydrogen-bonded Turntrans-57.1137.2169.8-24.333.7000111.7S193 A214 G215P191-S193 VanDerWaalsContact C-N 3.33Å; P191-A214 WeakPolarHBondContact CG-O 3.39Å; P191-G215 WeakPolarHBondContact CA-O 3.34Å
192G98.7Very high98.5Very high47 Ų4729.6 Ų29.649%0.48518%0.179SC..THydrogen-bonded Turntrans90.7-13.7-178.900000114.6E190 G215 S217E190-G192 PolarHBondContact O-N 2.97Å; G192-G215 PolarHBondContact N-O 3.03Å; G192-S217 WeakPolarHBondContact O-CB 3.38Å; G192-S217 PolarHBondContact O-OG 3.28Å
193S98.8Very high98.5Very high10 Ų1031.1 Ų31.17%0.0719%0.189CC..  trans-64.1151.5-177.4-61.90000113.8E190 P191 A216 S217 D263E190-S193 VanDerWaalsContact O-CB 3.31Å; E190-S193 WeakPolarHBondContact O-CB 3.22Å; E190-S193 PolarHBondContact O-N 2.93Å; E190-S193 PolarHBondContact O-OG 3.34Å; P191-S193 VanDerWaalsContact C-N 3.33Å; S193-A216 CarbonylContact O-C 3.52Å; S193-A216 VanDerWaalsContact O-CA 3.31Å; S193-A216 WeakPolarHBondContact O-CA 3.37Å; S193-A216 WeakPolarHBondContact O-CB 3.43Å; S193-S217 PolarHBondContact O-N 3.44Å; S193-S217 PolarHBondContact O-OG 3.33Å; S193-D263 WeakPolarHBondContact CA-OD2 3.35Å
194T98.9Very high98.5Very high27 Ų2731.1 Ų31.117%0.16619%0.189CC..EExtended strand (participates in β ladder)trans-96.7127170.1-61.20000109.8R218 T258 V262 D263 F264T194-R218 CarbonylContact C-O 3.59Å; T194-R218 WeakPolarHBondContact CA-O 3.42Å; T194-R218 HydrophobicContact CG2-CB 4.06Å; T194-R218 HydrophobicContact CG2-CG 4.26Å; T194-T258 HydrophobicContact CG2-CG2 4.09Å; T194-V262 HydrophobicContact CG2-CB 4.23Å; T194-V262 HydrophobicContact CG2-CG1 3.79Å; T194-D263 PolarHBondContact N-OD2 3.17Å; T194-D263 WeakPolarHBondContact O-CB 3.38Å; T194-D263 PolarHBondContact O-N 2.89Å; T194-F264 PolarHBondContact O-N 3.01Å
195C98.9Very high98.5Very high0 Ų029.4 Ų29.40%018%0.178CC..EExtended strand (participates in β ladder)trans-120.1143.7-178.1-56.60000112.6C211 R218 I219 I220 F264 F266C195-C211 HydrophobicContact CB-CB 4.44Å; C195-C211 VanDerWaalsContact SG-SG 3.67Å; C195-R218 PolarHBondContact N-O 3.48Å; C195-I219 WeakPolarHBondContact O-CA 3.37Å; C195-I220 PolarHBondContact O-N 3.28Å; C195-F264 CarbonylContact C-O 3.59Å; C195-F264 WeakPolarHBondContact CA-O 3.44Å; C195-F266 HydrophobicContact CB-CE2 4.48Å
196A98.9Very high98.5Very high0 Ų026.9 Ų26.90%017%0.165CC..EExtended strand (participates in β ladder)trans-115.1134.4166.200000110.9F198 I220 I222 L254 V262 F264 S265 F266A196-F198 HydrophobicContact CB-CE2 3.88Å; A196-I220 CarbonylContact C-O 3.59Å; A196-I220 WeakPolarHBondContact CA-O 3.31Å; A196-I222 HydrophobicContact CB-CD1 3.83Å; A196-L254 HydrophobicContact CB-CD1 4.21Å; A196-V262 HydrophobicContact CB-CB 4.38Å; A196-V262 HydrophobicContact CB-CG1 3.9Å; A196-V262 HydrophobicContact CB-CG2 3.84Å; A196-F264 PolarHBondContact N-O 2.84Å; A196-S265 CarbonylContact O-C 3.59Å; A196-S265 VanDerWaalsContact O-CA 3.3Å; A196-S265 WeakPolarHBondContact O-CA 3.29Å; A196-F266 PolarHBondContact O-N 3.35Å
197V98.9Very high98.5Very high0 Ų025.6 Ų25.60%016%0.157CC..EExtended strand (participates in β ladder)trans-124.1109.8-179.9-174.20000109.9V207 I208 I219 I220 I222 F266V197-V207 HydrophobicContact CG1-CB 4.13Å; V197-V207 HydrophobicContact CG1-CG1 4.16Å; V197-V207 HydrophobicContact CG2-CB 4.36Å; V197-V207 HydrophobicContact CG2-CG1 3.64Å; V197-I208 HydrophobicContact CB-CG1 4.15Å; V197-I208 HydrophobicContact CG1-CG1 4.3Å; V197-I208 HydrophobicContact CG2-CG1 3.85Å; V197-I219 HydrophobicContact CG2-CG2 4.43Å; V197-I220 PolarHBondContact N-O 3.37Å; V197-I222 WeakPolarHBondContact O-CD1 3.45Å; V197-I222 PolarHBondContact O-N 3.11Å; V197-F266 HydrophobicContact CG2-CD2 4.34Å
198F98.9Very high98.5Very high3 Ų325 Ų251%0.01315%0.153CC..EExtended strand (participates in β ladder)trans-92117.3-179.6-62-102000110.3A196 I222 I250 L254 F266 C268 V274 A278 A281A196-F198 HydrophobicContact CB-CE2 3.88Å; F198-I222 HydrophobicContact CD1-CB 4.04Å; F198-I222 HydrophobicContact CD1-CD1 4.35Å; F198-I222 HydrophobicContact CD1-CG1 4.36Å; F198-I222 HydrophobicContact CD1-CG2 3.97Å; F198-I222 HydrophobicContact CD2-CD1 4.29Å; F198-I222 HydrophobicContact CE1-CB 4.48Å; F198-I222 HydrophobicContact CE1-CD1 4.35Å; F198-I222 HydrophobicContact CE1-CG1 4.37Å; F198-I222 HydrophobicContact CE1-CG2 4.33Å; F198-I222 HydrophobicContact CE2-CD1 4.26Å; F198-I222 HydrophobicContact CG-CB 4.42Å; F198-I222 HydrophobicContact CG-CD1 4.34Å; F198-I222 HydrophobicContact CZ-CD1 4.32Å; F198-I250 HydrophobicContact CE1-CG1 4.2Å; F198-I250 HydrophobicContact CE1-CG2 4Å; F198-L254 HydrophobicContact CE1-CD1 3.96Å; F198-L254 HydrophobicContact CE2-CD1 4.16Å; F198-L254 HydrophobicContact CZ-CD1 3.34Å; F198-F266 PolarHBondContact N-O 3.44Å; F198-C268 WeakPolarHBondContact O-CA 3.43Å; F198-C268 WeakPolarHBondContact O-CB 3.21Å; F198-C268 PolarHBondContact O-N 3.41Å; F198-V274 HydrophobicContact CB-CG1 3.67Å; F198-V274 HydrophobicContact CD1-CG1 3.61Å; F198-V274 HydrophobicContact CE1-CG1 4.49Å; F198-V274 HydrophobicContact CG-CG1 3.87Å; F198-A278 HydrophobicContact CD2-CB 3.69Å; F198-A278 HydrophobicContact CE2-CB 3.55Å; F198-A278 HydrophobicContact CG-CB 4.4Å; F198-A278 HydrophobicContact CZ-CB 4.14Å; F198-A281 HydrophobicContact CZ-CB 4.26Å
199G98.3Very high98.5Very high4 Ų418.5 Ų18.54%0.04112%0.124CC..  trans91116.4-173.500000111.7G204 I222G199-G204 WeakPolarHBondContact O-CA 3.37Å; G199-I222 PolarHBondContact N-O 3.33Å
200L97.9Very high98.5Very high2 Ų218 Ų181%0.0112%0.121CC..  trans-107.536.4-174.5-60.9175.8000112.4I208 D223 K228 F229 A232L200-I208 HydrophobicContact CD2-CD1 3.52Å; L200-D223 HydrophobicContact CB-CB 4.01Å; L200-D223 HydrophobicContact CD1-CB 3.76Å; L200-D223 HydrophobicContact CG-CB 3.82Å; L200-D223 PolarHBondContact N-OD2 2.92Å; L200-K228 HydrophobicContact CB-CB 3.98Å; L200-K228 HydrophobicContact CB-CD 4.07Å; L200-F229 HydrophobicContact CD1-CD1 3.72Å; L200-F229 HydrophobicContact CD1-CE1 3.95Å; L200-A232 HydrophobicContact CD1-CB 3.89Å; L200-A232 HydrophobicContact CD2-CB 4.07Å; L200-A232 HydrophobicContact CG-CB 4.44Å
201G95.9Very high98.5Very high28 Ų2813 Ų1329%0.28910%0.098SC..SBendtrans-79.9-171166.400000112.2V203 G204 L205G201-V203 VanDerWaalsContact C-N 3.26Å; G201-V203 PolarHBondContact O-N 2.9Å; G201-V203 VanDerWaalsContact O-N 3.15Å; G201-G204 PolarHBondContact O-N 3.36Å; G201-G204 VanDerWaalsContact O-N 3.1Å; G201-L205 WeakPolarHBondContact O-CG 3.34Å; G201-L205 PolarHBondContact O-N 3.25Å
202G96.6Very high98.5Very high4 Ų413.7 Ų13.74%0.0419%0.09CC..Hα-helixtrans-54.1-37.2-177.500000114.7A206 F345G202-A206 WeakPolarHBondContact O-CB 3.23Å; G202-A206 PolarHBondContact O-N 2.92Å; G202-A206 VanDerWaalsContact O-N 3.14Å; G202-F345 WeakPolarHBondContact O-CE1 3.23Å
203V98.4Very high98.5Very high32 Ų3214.5 Ų14.519%0.1949%0.085CC..Hα-helixtrans-67.7-49.1176.3177.20000111.4G201 L205 A206 V207 C268 V292G201-V203 VanDerWaalsContact C-N 3.26Å; G201-V203 PolarHBondContact O-N 2.9Å; G201-V203 VanDerWaalsContact O-N 3.15Å; V203-L205 PolarHBondContact O-N 3.12Å; V203-A206 WeakPolarHBondContact O-CB 3.21Å; V203-A206 PolarHBondContact O-N 3.03Å; V203-A206 VanDerWaalsContact O-N 3.13Å; V203-V207 PolarHBondContact O-N 3.28Å; V203-C268 HydrophobicContact CB-CB 4.35Å; V203-C268 HydrophobicContact CG1-CB 4.03Å; V203-V292 HydrophobicContact CG1-CB 4.27Å; V203-V292 HydrophobicContact CG1-CG1 3.46Å; V203-V292 VanDerWaalsContact CG1-CG1 3.46Å
204G98.7Very high98.5Very high1 Ų115 Ų151%0.019%0.09CC..Hα-helixtrans-64.8-38.4179.900000113.3G199 G201 A206 V207 I208G199-G204 WeakPolarHBondContact O-CA 3.37Å; G201-G204 PolarHBondContact O-N 3.36Å; G201-G204 VanDerWaalsContact O-N 3.1Å; G204-A206 VanDerWaalsContact C-N 3.27Å; G204-A206 PolarHBondContact O-N 3.25Å; G204-V207 WeakPolarHBondContact O-CB 3.44Å; G204-V207 PolarHBondContact O-N 3.46Å; G204-V207 VanDerWaalsContact O-N 3.16Å; G204-I208 WeakPolarHBondContact O-CG1 3.43Å; G204-I208 PolarHBondContact O-N 3.26Å
205L98.8Very high98.5Very high1 Ų115.4 Ų15.41%0.00510%0.099CC..Hα-helixtrans-62-36.3172.7-67.1176.3000111.9G201 V203 I208 M209 K231 A232 F235 F345 I368G201-L205 WeakPolarHBondContact O-CG 3.34Å; G201-L205 PolarHBondContact O-N 3.25Å; V203-L205 PolarHBondContact O-N 3.12Å; L205-I208 HydrophobicContact CD2-CD1 4.4Å; L205-I208 PolarHBondContact O-N 3.37Å; L205-M209 PolarHBondContact O-N 2.82Å; L205-K231 HydrophobicContact CD1-CG 4.1Å; L205-A232 VanDerWaalsContact CD2-CA 3.49Å; L205-A232 HydrophobicContact CD2-CB 3.94Å; L205-F235 HydrophobicContact CB-CD1 4.26Å; L205-F235 HydrophobicContact CB-CD2 4.19Å; L205-F235 HydrophobicContact CB-CE2 4.44Å; L205-F235 HydrophobicContact CB-CG 4.08Å; L205-F235 HydrophobicContact CD1-CD2 4.19Å; L205-F235 HydrophobicContact CD1-CE2 4.11Å; L205-F235 HydrophobicContact CD2-CB 4.24Å; L205-F235 HydrophobicContact CD2-CD2 3.94Å; L205-F235 HydrophobicContact CD2-CG 4.2Å; L205-F235 HydrophobicContact CG-CD2 4.34Å; L205-F345 HydrophobicContact CB-CD1 4.44Å; L205-F345 HydrophobicContact CB-CE1 3.7Å; L205-F345 HydrophobicContact CB-CZ 4.45Å; L205-I368 HydrophobicContact CD1-CD1 3.48Å; L205-I368 VanDerWaalsContact CD1-CD1 3.48Å; L205-I368 HydrophobicContact CD1-CG1 4.05Å; L205-I368 HydrophobicContact CD1-CG2 4.02Å
206A98.9Very high98.5Very high0 Ų015.7 Ų15.70%010%0.102CC..Hα-helixtrans-71.9-3217400000113.2V176 G179 Y180 G202 V203 G204 M209 G210 F345V176-A206 WeakPolarHBondContact O-CB 3.39Å; G179-A206 CarbonylContact C-O 3.56Å; Y180-A206 PolarHBondContact N-O 3.07Å; G202-A206 WeakPolarHBondContact O-CB 3.23Å; G202-A206 PolarHBondContact O-N 2.92Å; G202-A206 VanDerWaalsContact O-N 3.14Å; V203-A206 WeakPolarHBondContact O-CB 3.21Å; V203-A206 PolarHBondContact O-N 3.03Å; V203-A206 VanDerWaalsContact O-N 3.13Å; G204-A206 VanDerWaalsContact C-N 3.27Å; G204-A206 PolarHBondContact O-N 3.25Å; A206-M209 PolarHBondContact O-N 2.98Å; A206-G210 PolarHBondContact O-N 3.46Å; A206-F345 HydrophobicContact CB-CE1 3.98Å; A206-F345 HydrophobicContact CB-CZ 3.73Å
207V98.9Very high98.5Very high0 Ų019.3 Ų19.30%013%0.127CC..Hα-helixtrans-62.6-48.1168.5173.20000110.4G179 A182 V197 V203 G204 M209 G210 C211 F266G179-V207 WeakPolarHBondContact O-CA 3.15Å; G179-V207 WeakPolarHBondContact O-CG2 3.44Å; A182-V207 HydrophobicContact CB-CG2 4.24Å; V197-V207 HydrophobicContact CG1-CB 4.13Å; V197-V207 HydrophobicContact CG1-CG1 4.16Å; V197-V207 HydrophobicContact CG2-CB 4.36Å; V197-V207 HydrophobicContact CG2-CG1 3.64Å; V203-V207 PolarHBondContact O-N 3.28Å; G204-V207 WeakPolarHBondContact O-CB 3.44Å; G204-V207 PolarHBondContact O-N 3.46Å; G204-V207 VanDerWaalsContact O-N 3.16Å; V207-M209 VanDerWaalsContact C-N 3.29Å; V207-M209 PolarHBondContact O-N 2.93Å; V207-G210 CarbonylContact O-C 3.4Å; V207-G210 WeakPolarHBondContact O-CA 3.31Å; V207-G210 PolarHBondContact O-N 3.48Å; V207-C211 PolarHBondContact O-N 3.45Å; V207-C211 PolarHBondContact O-SG 3.38Å; V207-C211 VanDerWaalsContact O-SG 3.34Å; V207-F266 HydrophobicContact CG1-CB 3.76Å; V207-F266 HydrophobicContact CG1-CD1 3.82Å; V207-F266 HydrophobicContact CG1-CD2 3.46Å; V207-F266 VanDerWaalsContact CG1-CD2 3.46Å; V207-F266 HydrophobicContact CG1-CE1 4.27Å; V207-F266 HydrophobicContact CG1-CE2 3.94Å; V207-F266 HydrophobicContact CG1-CG 3.39Å; V207-F266 HydrophobicContact CG1-CZ 4.32Å; V207-F266 HydrophobicContact CG2-CB 4.34Å; V207-F266 HydrophobicContact CG2-CD1 4.39Å; V207-F266 HydrophobicContact CG2-CG 4.43Å
208I98.9Very high98.4Very high0 Ų022.4 Ų22.40%014%0.139CC..Hα-helixtrans-56-46.7177-70.8167.3000110.5V197 L200 G204 L205 G210 C211 K212 I219 A232 F235 A237V197-I208 HydrophobicContact CB-CG1 4.15Å; V197-I208 HydrophobicContact CG1-CG1 4.3Å; V197-I208 HydrophobicContact CG2-CG1 3.85Å; L200-I208 HydrophobicContact CD2-CD1 3.52Å; G204-I208 WeakPolarHBondContact O-CG1 3.43Å; G204-I208 PolarHBondContact O-N 3.26Å; L205-I208 HydrophobicContact CD2-CD1 4.4Å; L205-I208 PolarHBondContact O-N 3.37Å; I208-G210 VanDerWaalsContact C-N 3.35Å; I208-G210 PolarHBondContact O-N 3.03Å; I208-C211 PolarHBondContact O-N 3.35Å; I208-K212 WeakPolarHBondContact O-CB 3.34Å; I208-K212 PolarHBondContact O-N 2.74Å; I208-I219 HydrophobicContact CB-CG2 4.37Å; I208-I219 HydrophobicContact CG1-CG2 3.92Å; I208-I219 HydrophobicContact CG2-CG2 4.14Å; I208-A232 HydrophobicContact CD1-CB 4Å; I208-F235 HydrophobicContact CB-CB 4.47Å; I208-F235 HydrophobicContact CG2-CB 3.97Å; I208-A237 HydrophobicContact CD1-CB 4.13Å; I208-A237 HydrophobicContact CG2-CB 4.35Å; I208-A237 VanDerWaalsContact CG2-N 3.26Å
209M98.8Very high98.4Very high7 Ų722.3 Ų22.33%0.03414%0.138CC..Hα-helixtrans-57-47.1174.3-179.2-178.869.300111.7V176 Y180 L205 A206 V207 K212 V213 F235 I340 K341 F345V176-M209 HydrophobicContact CG1-CE 4.15Å; Y180-M209 HydrophobicContact CD2-CE 4.16Å; Y180-M209 HydrophobicContact CG-CE 4.25Å; L205-M209 PolarHBondContact O-N 2.82Å; A206-M209 PolarHBondContact O-N 2.98Å; V207-M209 VanDerWaalsContact C-N 3.29Å; V207-M209 PolarHBondContact O-N 2.93Å; M209-K212 PolarHBondContact O-N 3.05Å; M209-V213 WeakPolarHBondContact O-CG2 3.28Å; M209-V213 PolarHBondContact O-N 3.18Å; M209-F235 HydrophobicContact CB-CD1 4.25Å; M209-I340 HydrophobicContact CE-CB 4.03Å; M209-I340 HydrophobicContact CE-CG2 4.32Å; M209-I340 HydrophobicContact SD-CB 3.99Å; M209-K341 HydrophobicContact SD-CB 3.74Å; M209-K341 HydrophobicContact SD-CG 4.3Å; M209-K341 PolarHBondContact SD-N 3.46Å; M209-F345 HydrophobicContact SD-CE2 4.44Å
210G98.9Very high98.5Very high0 Ų022.1 Ų22.10%014%0.136CC..Hα-helixtrans-62-45.117800000113.3A206 V207 I208 K212 V213 A214A206-G210 PolarHBondContact O-N 3.46Å; V207-G210 CarbonylContact O-C 3.4Å; V207-G210 WeakPolarHBondContact O-CA 3.31Å; V207-G210 PolarHBondContact O-N 3.48Å; I208-G210 VanDerWaalsContact C-N 3.35Å; I208-G210 PolarHBondContact O-N 3.03Å; G210-K212 VanDerWaalsContact C-N 3.29Å; G210-K212 PolarHBondContact O-N 2.79Å; G210-V213 PolarHBondContact O-N 3.09Å; G210-A214 VanDerWaalsContact O-CB 3.31Å; G210-A214 WeakPolarHBondContact O-CB 3.49Å; G210-A214 PolarHBondContact O-N 3.17Å
211C98.9Very high98.5Very high0 Ų022 Ų220%014%0.136CC..Hα-helixtrans-60.7-40174.2-650000111.4C195 V207 I208 A214 G215 A216 I219C195-C211 HydrophobicContact CB-CB 4.44Å; C195-C211 VanDerWaalsContact SG-SG 3.67Å; V207-C211 PolarHBondContact O-N 3.45Å; V207-C211 PolarHBondContact O-SG 3.38Å; V207-C211 VanDerWaalsContact O-SG 3.34Å; I208-C211 PolarHBondContact O-N 3.35Å; C211-A214 PolarHBondContact O-N 3.12Å; C211-G215 PolarHBondContact O-N 3.12Å; C211-A216 HydrophobicContact CB-CB 4.04Å; C211-A216 VanDerWaalsContact O-CB 3.3Å; C211-A216 WeakPolarHBondContact O-CB 3.27Å; C211-A216 PolarHBondContact O-N 3.39Å; C211-I219 HydrophobicContact CB-CD1 3.77Å; C211-I219 HydrophobicContact CB-CG1 4.11Å
212K98.8Very high98.7Very high122 Ų12220.9 Ų20.953%0.5312%0.123SC..Hα-helixtrans-66.1-45178.1-175.659.6176.9-1790112I208 M209 G210 A214 G215 I219I208-K212 WeakPolarHBondContact O-CB 3.34Å; I208-K212 PolarHBondContact O-N 2.74Å; M209-K212 PolarHBondContact O-N 3.05Å; G210-K212 VanDerWaalsContact C-N 3.29Å; G210-K212 PolarHBondContact O-N 2.79Å; K212-A214 VanDerWaalsContact C-N 3.27Å; K212-A214 PolarHBondContact O-N 2.72Å; K212-G215 PolarHBondContact O-N 3.39Å; K212-G215 VanDerWaalsContact O-N 3.11Å; K212-I219 HydrophobicContact CB-CD1 4.07Å
213V98.5Very high98.8Very high64 Ų6421.4 Ų21.439%0.38813%0.125SC..Hα-helixtrans-61.8-36.8174.9169.40000111.2Y180 M209 G210 G215Y180-V213 HydrophobicContact CE2-CB 4.27Å; Y180-V213 HydrophobicContact CE2-CG1 4.18Å; Y180-V213 HydrophobicContact CE2-CG2 4.42Å; M209-V213 WeakPolarHBondContact O-CG2 3.28Å; M209-V213 PolarHBondContact O-N 3.18Å; G210-V213 PolarHBondContact O-N 3.09Å; V213-G215 PolarHBondContact O-N 2.88Å
214A98.6Very high98.7Very high20 Ų2025 Ų2517%0.16514%0.142CC..THydrogen-bonded Turntrans-72.2-11176.300000114.2V189 P191 G210 C211 K212V189-A214 HydrophobicContact CB-CB 3.95Å; V189-A214 HydrophobicContact CG1-CB 4.04Å; V189-A214 WeakPolarHBondContact O-CB 3.48Å; P191-A214 WeakPolarHBondContact CG-O 3.39Å; G210-A214 VanDerWaalsContact O-CB 3.31Å; G210-A214 WeakPolarHBondContact O-CB 3.49Å; G210-A214 PolarHBondContact O-N 3.17Å; C211-A214 PolarHBondContact O-N 3.12Å; K212-A214 VanDerWaalsContact C-N 3.27Å; K212-A214 PolarHBondContact O-N 2.72Å
215G98.7Very high98.6Very high35 Ų3527.1 Ų27.136%0.36115%0.153SC..THydrogen-bonded Turntrans87.523.3177.700000114.8P191 G192 C211 K212 V213 S217P191-G215 WeakPolarHBondContact CA-O 3.34Å; G192-G215 PolarHBondContact N-O 3.03Å; C211-G215 PolarHBondContact O-N 3.12Å; K212-G215 PolarHBondContact O-N 3.39Å; K212-G215 VanDerWaalsContact O-N 3.11Å; V213-G215 PolarHBondContact O-N 2.88Å; G215-S217 PolarHBondContact O-N 3.32Å
216A98.8Very high98.5Very high7 Ų731.7 Ų31.76%0.05817%0.173CC..  trans-55.5136.8172.600000111V189 S193 C211 I219V189-A216 HydrophobicContact CG1-CB 4.2Å; S193-A216 CarbonylContact O-C 3.52Å; S193-A216 VanDerWaalsContact O-CA 3.31Å; S193-A216 WeakPolarHBondContact O-CA 3.37Å; S193-A216 WeakPolarHBondContact O-CB 3.43Å; C211-A216 HydrophobicContact CB-CB 4.04Å; C211-A216 VanDerWaalsContact O-CB 3.3Å; C211-A216 WeakPolarHBondContact O-CB 3.27Å; C211-A216 PolarHBondContact O-N 3.39Å; A216-I219 HydrophobicContact CB-CD1 4.11Å; A216-I219 HydrophobicContact CB-CG1 3.87Å
217S98.4Very high98.3Very high75 Ų7538.4 Ų38.452%0.52421%0.209SC..SBendtrans-80.2-35.9-176.863.30000112.3G192 S193 G215G192-S217 WeakPolarHBondContact O-CB 3.38Å; G192-S217 PolarHBondContact O-OG 3.28Å; S193-S217 PolarHBondContact O-N 3.44Å; S193-S217 PolarHBondContact O-OG 3.33Å; G215-S217 PolarHBondContact O-N 3.32Å
218R98.8Very high98.2Very high65 Ų6541.1 Ų41.125%0.24522%0.221CC..EExtended strand (participates in β ladder)trans-136.6128-177.2-171.5177.5-177.8-166.6-2.3109.8T194 C195 I220 E239 M257T194-R218 CarbonylContact C-O 3.59Å; T194-R218 WeakPolarHBondContact CA-O 3.42Å; T194-R218 HydrophobicContact CG2-CB 4.06Å; T194-R218 HydrophobicContact CG2-CG 4.26Å; C195-R218 PolarHBondContact N-O 3.48Å; R218-I220 HydrophobicContact CG-CG1 4.25Å; R218-E239 IonicContact CZ-OE1 3.35Å; R218-E239 IonicContact CZ-OE2 2.74Å; R218-E239 IonicContact NE-OE1 2.89Å; R218-E239 PolarHBondContact NE-OE1 3.47Å; R218-E239 IonicContact NE-OE2 3.45Å; R218-E239 IonicContact NH2-OE1 2.72Å; R218-E239 PolarHBondContact NH2-OE1 3Å; R218-E239 IonicContact NH2-OE2 3.56Å; R218-E239 PolarHBondContact NH2-OE2 2.94Å; R218-M257 PolarHBondContact NH1-O 3.32Å; R218-M257 PolarHBondContact NH2-O 2.92Å
219I98.9Very high98.1Very high1 Ų142.7 Ų42.71%0.00523%0.227CC..EExtended strand (participates in β ladder)trans-130.7105.2-177.4-56.1169.3000108.2C195 V197 I208 C211 K212 A216 A237 T238 E239C195-I219 WeakPolarHBondContact O-CA 3.37Å; V197-I219 HydrophobicContact CG2-CG2 4.43Å; I208-I219 HydrophobicContact CB-CG2 4.37Å; I208-I219 HydrophobicContact CG1-CG2 3.92Å; I208-I219 HydrophobicContact CG2-CG2 4.14Å; C211-I219 HydrophobicContact CB-CD1 3.77Å; C211-I219 HydrophobicContact CB-CG1 4.11Å; K212-I219 HydrophobicContact CB-CD1 4.07Å; A216-I219 HydrophobicContact CB-CD1 4.11Å; A216-I219 HydrophobicContact CB-CG1 3.87Å; I219-A237 CarbonylContact O-C 3.52Å; I219-A237 WeakPolarHBondContact O-CA 3.39Å; I219-T238 PolarHBondContact N-OG1 2.97Å; I219-T238 PolarHBondContact O-N 2.86Å; I219-T238 PolarHBondContact O-OG1 3.11Å; I219-E239 PolarHBondContact O-N 3.23Å
220I98.9Very high98.1Very high0 Ų045.6 Ų45.60%025%0.253CS..EExtended strand (participates in β ladder)trans-94.5114.1-175.8-50.9176.2000108.6C195 A196 V197 R218 I222 E239 I241 L254 T258 V262C195-I220 PolarHBondContact O-N 3.28Å; A196-I220 CarbonylContact C-O 3.59Å; A196-I220 WeakPolarHBondContact CA-O 3.31Å; V197-I220 PolarHBondContact N-O 3.37Å; R218-I220 HydrophobicContact CG-CG1 4.25Å; I220-I222 HydrophobicContact CG2-CD1 4.12Å; I220-I222 HydrophobicContact CG2-CG1 4.37Å; I220-I222 VanDerWaalsContact O-CD1 3.29Å; I220-I222 WeakPolarHBondContact O-CD1 3.47Å; I220-E239 HydrophobicContact CB-CG 4.1Å; I220-E239 HydrophobicContact CG1-CG 3.77Å; I220-E239 HydrophobicContact CG2-CG 3.94Å; I220-I241 HydrophobicContact CG2-CD1 4.16Å; I220-I241 HydrophobicContact CG2-CG1 4.22Å; I220-L254 HydrophobicContact CB-CD2 4.36Å; I220-L254 HydrophobicContact CD1-CD2 3.92Å; I220-L254 HydrophobicContact CG2-CD2 3.73Å; I220-T258 HydrophobicContact CD1-CG2 3.75Å; I220-V262 HydrophobicContact CD1-CG1 4.34Å
221G98.9Very high98Very high0 Ų048.2 Ų48.20%026%0.264CS..EExtended strand (participates in β ladder)trans-87.1134.517300000111.9E239 C240 I241G221-E239 PolarHBondContact N-O 3.15Å; G221-C240 CarbonylContact O-C 3.49Å; G221-C240 WeakPolarHBondContact O-CA 3.45Å; G221-I241 PolarHBondContact O-N 3.45Å
222I98.9Very high97.9Very high5 Ų548.2 Ų48.23%0.02626%0.264CS..EExtended strand (participates in β ladder)trans-125.7117.7179.8-54.994.6000109.2A196 V197 F198 G199 I220 I241 P243 I250 L254A196-I222 HydrophobicContact CB-CD1 3.83Å; V197-I222 WeakPolarHBondContact O-CD1 3.45Å; V197-I222 PolarHBondContact O-N 3.11Å; F198-I222 HydrophobicContact CD1-CB 4.04Å; F198-I222 HydrophobicContact CD1-CD1 4.35Å; F198-I222 HydrophobicContact CD1-CG1 4.36Å; F198-I222 HydrophobicContact CD1-CG2 3.97Å; F198-I222 HydrophobicContact CD2-CD1 4.29Å; F198-I222 HydrophobicContact CE1-CB 4.48Å; F198-I222 HydrophobicContact CE1-CD1 4.35Å; F198-I222 HydrophobicContact CE1-CG1 4.37Å; F198-I222 HydrophobicContact CE1-CG2 4.33Å; F198-I222 HydrophobicContact CE2-CD1 4.26Å; F198-I222 HydrophobicContact CG-CB 4.42Å; F198-I222 HydrophobicContact CG-CD1 4.34Å; F198-I222 HydrophobicContact CZ-CD1 4.32Å; G199-I222 PolarHBondContact N-O 3.33Å; I220-I222 HydrophobicContact CG2-CD1 4.12Å; I220-I222 HydrophobicContact CG2-CG1 4.37Å; I220-I222 VanDerWaalsContact O-CD1 3.29Å; I220-I222 WeakPolarHBondContact O-CD1 3.47Å; I222-I241 WeakPolarHBondContact CA-O 3.31Å; I222-I241 HydrophobicContact CB-CG1 4.44Å; I222-I241 HydrophobicContact CG1-CD1 3.99Å; I222-I241 HydrophobicContact CG1-CG1 3.72Å; I222-I241 HydrophobicContact CG2-CG1 4.45Å; I222-P243 HydrophobicContact CG2-CG 3.54Å; I222-I250 HydrophobicContact CG2-CD1 4.24Å; I222-I250 HydrophobicContact CG2-CG1 3.98Å; I222-L254 HydrophobicContact CD1-CD1 4.27Å; I222-L254 HydrophobicContact CD1-CD2 4.43Å; I222-L254 HydrophobicContact CG1-CD1 4.48Å
223D98.6Very high97.9Very high14 Ų1447 Ų478%0.07526%0.259CS..  trans-151.4150172.6-156.4-63.5000110.1L200 N225 K228 F229 I241 N242L200-D223 HydrophobicContact CB-CB 4.01Å; L200-D223 HydrophobicContact CD1-CB 3.76Å; L200-D223 HydrophobicContact CG-CB 3.82Å; L200-D223 PolarHBondContact N-OD2 2.92Å; D223-N225 VanDerWaalsContact C-N 3.26Å; D223-N225 PolarHBondContact OD1-N 3.43Å; D223-K228 HydrophobicContact CB-CD 4.43Å; D223-K228 IonicContact OD1-NZ 3.75Å; D223-K228 VanDerWaalsContact OD2-CD 3.23Å; D223-K228 WeakPolarHBondContact OD2-CD 3.4Å; D223-K228 IonicContact OD2-NZ 3.53Å; D223-K228 PolarHBondContact OD2-NZ 3.04Å; D223-F229 HydrophobicContact CB-CE1 4.08Å; D223-I241 PolarHBondContact N-O 2.86Å; D223-N242 WeakPolarHBondContact O-CA 3.39Å
224I97.6Very high97.9Very high107 Ų10749 Ų4955%0.54926%0.264SS..SBendtrans-75.3-19.2175.360.2173.1000112.1N242 Q244I224-N242 PolarHBondContact O-ND2 3.44Å; I224-Q244 HydrophobicContact CG2-CG 4.38Å
225N95.8Very high97.9Very high46 Ų4648.4 Ų48.425%0.24626%0.258CS..  trans-99.4107.8175.6-175.7-2.2000110.7D223 D227 K228D223-N225 VanDerWaalsContact C-N 3.26Å; D223-N225 PolarHBondContact OD1-N 3.43Å; N225-D227 PolarHBondContact O-N 2.79Å; N225-D227 VanDerWaalsContact OD1-CB 3.28Å; N225-D227 WeakPolarHBondContact OD1-CB 3.48Å; N225-D227 PolarHBondContact OD1-N 2.89Å; N225-K228 HydrophobicContact CB-CD 4.3Å; N225-K228 HydrophobicContact CB-CG 4.44Å; N225-K228 PolarHBondContact O-N 3.48Å
226K96.9Very high97.9Very high98 Ų9847.4 Ų47.443%0.42625%0.247SC..G310 helixtrans-65.2-23.2179.4-59.6-167.5-169.5-160.60113.5K228 F229 N242 E245K226-K228 PolarHBondContact O-N 2.77Å; K226-K228 VanDerWaalsContact O-N 3.08Å; K226-F229 HydrophobicContact CB-CD2 4.14Å; K226-F229 HydrophobicContact CB-CE2 4.04Å; K226-F229 HydrophobicContact CB-CZ 4.44Å; K226-F229 HydrophobicContact CD-CE2 4.48Å; K226-F229 HydrophobicContact CG-CD2 4.4Å; K226-F229 HydrophobicContact CG-CE2 3.83Å; K226-F229 HydrophobicContact CG-CZ 4.16Å; K226-F229 VanDerWaalsContact O-CB 3.31Å; K226-F229 WeakPolarHBondContact O-CB 3.43Å; K226-F229 VanDerWaalsContact O-CG 3.31Å; K226-F229 WeakPolarHBondContact O-CG 3.36Å; K226-F229 PolarHBondContact O-N 2.98Å; K226-N242 HydrophobicContact CG-CB 4.22Å; K226-E245 VanDerWaalsContact CE-CD 3.45Å; K226-E245 WeakPolarHBondContact CE-OE1 3.3Å; K226-E245 IonicContact NZ-OE1 3.64Å; K226-E245 PolarHBondContact NZ-OE1 3.41Å; K226-E245 IonicContact NZ-OE2 2.68Å; K226-E245 PolarHBondContact NZ-OE2 3.39Å
227D95.2Very high97.9Very high140 Ų14047.4 Ų47.475%0.74925%0.247SC*.G310 helixtrans-62.3-21.4-179.7-61.5-19.7000111.9N225 F229N225-D227 PolarHBondContact O-N 2.79Å; N225-D227 VanDerWaalsContact OD1-CB 3.28Å; N225-D227 WeakPolarHBondContact OD1-CB 3.48Å; N225-D227 PolarHBondContact OD1-N 2.89Å; D227-F229 VanDerWaalsContact C-N 3.33Å
228K95.6Very high97.9Very high58 Ų5846.7 Ų46.725%0.25224%0.24SC..G310 helixtrans-78.4-14.8176.8-63.5177.3177.8175.80113.8L200 D223 N225 K226 A230 K231 A232L200-K228 HydrophobicContact CB-CB 3.98Å; L200-K228 HydrophobicContact CB-CD 4.07Å; D223-K228 HydrophobicContact CB-CD 4.43Å; D223-K228 IonicContact OD1-NZ 3.75Å; D223-K228 VanDerWaalsContact OD2-CD 3.23Å; D223-K228 WeakPolarHBondContact OD2-CD 3.4Å; D223-K228 IonicContact OD2-NZ 3.53Å; D223-K228 PolarHBondContact OD2-NZ 3.04Å; N225-K228 HydrophobicContact CB-CD 4.3Å; N225-K228 HydrophobicContact CB-CG 4.44Å; N225-K228 PolarHBondContact O-N 3.48Å; K226-K228 PolarHBondContact O-N 2.77Å; K226-K228 VanDerWaalsContact O-N 3.08Å; K228-A230 PolarHBondContact O-N 2.85Å; K228-K231 PolarHBondContact O-N 2.87Å; K228-A232 PolarHBondContact O-N 2.87Å
229F98.1Very high97.9Very high32 Ų3245.7 Ų45.714%0.1424%0.238CC..Hα-helixtrans-67.7-41.2-170.1-66.8-4000112.3L200 D223 K226 D227 K231 A232 K233 C240 I241 N242L200-F229 HydrophobicContact CD1-CD1 3.72Å; L200-F229 HydrophobicContact CD1-CE1 3.95Å; D223-F229 HydrophobicContact CB-CE1 4.08Å; K226-F229 HydrophobicContact CB-CD2 4.14Å; K226-F229 HydrophobicContact CB-CE2 4.04Å; K226-F229 HydrophobicContact CB-CZ 4.44Å; K226-F229 HydrophobicContact CD-CE2 4.48Å; K226-F229 HydrophobicContact CG-CD2 4.4Å; K226-F229 HydrophobicContact CG-CE2 3.83Å; K226-F229 HydrophobicContact CG-CZ 4.16Å; K226-F229 VanDerWaalsContact O-CB 3.31Å; K226-F229 WeakPolarHBondContact O-CB 3.43Å; K226-F229 VanDerWaalsContact O-CG 3.31Å; K226-F229 WeakPolarHBondContact O-CG 3.36Å; K226-F229 PolarHBondContact O-N 2.98Å; D227-F229 VanDerWaalsContact C-N 3.33Å; F229-K231 VanDerWaalsContact C-N 3.28Å; F229-K231 PolarHBondContact O-N 2.7Å; F229-A232 WeakPolarHBondContact O-CB 3.46Å; F229-A232 PolarHBondContact O-N 3.06Å; F229-K233 WeakPolarHBondContact O-CG 3.07Å; F229-K233 PolarHBondContact O-N 3.45Å; F229-C240 HydrophobicContact CB-CB 3.8Å; F229-C240 HydrophobicContact CD1-CB 3.6Å; F229-C240 HydrophobicContact CD2-CB 3.57Å; F229-C240 HydrophobicContact CE1-CB 4Å; F229-C240 HydrophobicContact CE2-CB 3.97Å; F229-C240 HydrophobicContact CG-CB 3.37Å; F229-C240 HydrophobicContact CZ-CB 4.17Å; F229-I241 WeakPolarHBondContact CZ-O 3.39Å; F229-N242 HydrophobicContact CE2-CB 4.42Å; F229-N242 HydrophobicContact CZ-CB 3.98Å
230A97.4Very high97.9Very high69 Ų6946.8 Ų46.857%0.5725%0.246SC*.Hα-helixtrans-56.5-46.5177.600000110.9K228 K233 E234K228-A230 PolarHBondContact O-N 2.85Å; A230-K233 WeakPolarHBondContact O-CB 3.05Å; A230-K233 PolarHBondContact O-N 2.74Å; A230-E234 PolarHBondContact O-N 3.19Å; A230-E234 VanDerWaalsContact O-N 3.17Å
231K96.9Very high97.9Very high55 Ų5547.6 Ų47.624%0.23925%0.25CC..Hα-helixtrans-65.1-43177.3-15954.6148.3-174.80112.2L205 K228 F229 K233 E234 F235 E344 I368L205-K231 HydrophobicContact CD1-CG 4.1Å; K228-K231 PolarHBondContact O-N 2.87Å; F229-K231 VanDerWaalsContact C-N 3.28Å; F229-K231 PolarHBondContact O-N 2.7Å; K231-K233 PolarHBondContact O-N 3.41Å; K231-E234 HydrophobicContact CD-CB 4.5Å; K231-E234 WeakPolarHBondContact CD-OE2 3.48Å; K231-E234 IonicContact NZ-OE2 3.55Å; K231-E234 PolarHBondContact NZ-OE2 2.98Å; K231-E234 WeakPolarHBondContact O-CB 3.36Å; K231-E234 PolarHBondContact O-N 2.95Å; K231-F235 HydrophobicContact CD-CD2 4.36Å; K231-F235 HydrophobicContact CD-CE2 4.1Å; K231-F235 HydrophobicContact CG-CD2 4.13Å; K231-F235 HydrophobicContact CG-CE2 4.03Å; K231-F235 WeakPolarHBondContact O-CD2 3.38Å; K231-F235 PolarHBondContact O-N 3.33Å; K231-F235 VanDerWaalsContact O-N 3.1Å; K231-E344 WeakPolarHBondContact CE-O 3.19Å; K231-I368 HydrophobicContact CB-CD1 4.42Å; K231-I368 HydrophobicContact CD-CD1 4.47Å; K231-I368 HydrophobicContact CG-CD1 3.55Å
232A98.4Very high97.8Very high0 Ų047.8 Ų47.80%025%0.251CS..Hα-helixtrans-56.9-38.2175.200000112.8L200 L205 I208 K228 F229 F235 G236 A237L200-A232 HydrophobicContact CD1-CB 3.89Å; L200-A232 HydrophobicContact CD2-CB 4.07Å; L200-A232 HydrophobicContact CG-CB 4.44Å; L205-A232 VanDerWaalsContact CD2-CA 3.49Å; L205-A232 HydrophobicContact CD2-CB 3.94Å; I208-A232 HydrophobicContact CD1-CB 4Å; K228-A232 PolarHBondContact O-N 2.87Å; F229-A232 WeakPolarHBondContact O-CB 3.46Å; F229-A232 PolarHBondContact O-N 3.06Å; A232-F235 PolarHBondContact O-N 2.76Å; A232-G236 PolarHBondContact O-N 3.47Å; A232-G236 VanDerWaalsContact O-N 3.12Å; A232-A237 HydrophobicContact CB-CB 4.08Å; A232-A237 VanDerWaalsContact O-CB 3.32Å; A232-A237 WeakPolarHBondContact O-CB 3.47Å; A232-A237 PolarHBondContact O-N 3Å
233K98.6Very high97.8Very high97 Ų9749.4 Ų49.442%0.42226%0.261SS..Hα-helixtrans-64.3-42.5173.7-63.6-58.2-171.1121.60112.4F229 A230 K231 F235 G236 A237 T238F229-K233 WeakPolarHBondContact O-CG 3.07Å; F229-K233 PolarHBondContact O-N 3.45Å; A230-K233 WeakPolarHBondContact O-CB 3.05Å; A230-K233 PolarHBondContact O-N 2.74Å; K231-K233 PolarHBondContact O-N 3.41Å; K233-F235 PolarHBondContact O-N 3.27Å; K233-G236 PolarHBondContact O-N 2.88Å; K233-G236 VanDerWaalsContact O-N 3.08Å; K233-A237 HydrophobicContact CD-CB 4.15Å; K233-A237 WeakPolarHBondContact CD-O 3.5Å; K233-T238 VanDerWaalsContact NZ-C 3.25Å; K233-T238 PolarHBondContact NZ-O 3.42Å
234E97.8Very high97.8Very high106 Ų10655.4 Ų55.450%0.49529%0.289SS..Hα-helixtrans-58.7-32174-66.7173-155.900112.6A230 K231 K341A230-E234 PolarHBondContact O-N 3.19Å; A230-E234 VanDerWaalsContact O-N 3.17Å; K231-E234 HydrophobicContact CD-CB 4.5Å; K231-E234 WeakPolarHBondContact CD-OE2 3.48Å; K231-E234 IonicContact NZ-OE2 3.55Å; K231-E234 PolarHBondContact NZ-OE2 2.98Å; K231-E234 WeakPolarHBondContact O-CB 3.36Å; K231-E234 PolarHBondContact O-N 2.95Å; E234-K341 PolarHBondContact O-NZ 3.49Å
235F98.5Very high97.8Very high7 Ų755.5 Ų55.53%0.03129%0.287CS..Hα-helixtrans-81.7-18.4177.6-85.7-87.4000114L205 I208 M209 K231 A232 K233 K341 E344 F345L205-F235 HydrophobicContact CB-CD1 4.26Å; L205-F235 HydrophobicContact CB-CD2 4.19Å; L205-F235 HydrophobicContact CB-CE2 4.44Å; L205-F235 HydrophobicContact CB-CG 4.08Å; L205-F235 HydrophobicContact CD1-CD2 4.19Å; L205-F235 HydrophobicContact CD1-CE2 4.11Å; L205-F235 HydrophobicContact CD2-CB 4.24Å; L205-F235 HydrophobicContact CD2-CD2 3.94Å; L205-F235 HydrophobicContact CD2-CG 4.2Å; L205-F235 HydrophobicContact CG-CD2 4.34Å; I208-F235 HydrophobicContact CB-CB 4.47Å; I208-F235 HydrophobicContact CG2-CB 3.97Å; M209-F235 HydrophobicContact CB-CD1 4.25Å; K231-F235 HydrophobicContact CD-CD2 4.36Å; K231-F235 HydrophobicContact CD-CE2 4.1Å; K231-F235 HydrophobicContact CG-CD2 4.13Å; K231-F235 HydrophobicContact CG-CE2 4.03Å; K231-F235 WeakPolarHBondContact O-CD2 3.38Å; K231-F235 PolarHBondContact O-N 3.33Å; K231-F235 VanDerWaalsContact O-N 3.1Å; A232-F235 PolarHBondContact O-N 2.76Å; K233-F235 PolarHBondContact O-N 3.27Å; F235-K341 HydrophobicContact CD1-CD 4.12Å; F235-K341 HydrophobicContact CE1-CB 4.04Å; F235-K341 HydrophobicContact CE1-CD 3.96Å; F235-E344 HydrophobicContact CE1-CB 4.48Å; F235-E344 HydrophobicContact CE2-CB 4.01Å; F235-E344 HydrophobicContact CZ-CB 3.63Å; F235-F345 HydrophobicContact CD1-CE2 4.41Å; F235-F345 HydrophobicContact CD1-CZ 4.02Å; F235-F345 HydrophobicContact CE1-CD1 4.33Å; F235-F345 AromaticContact CE1-CD2 3.91Å; F235-F345 HydrophobicContact CE1-CD2 3.91Å; F235-F345 AromaticContact CE1-CE1 3.79Å; F235-F345 HydrophobicContact CE1-CE1 3.79Å; F235-F345 AromaticContact CE1-CE2 3.34Å; F235-F345 HydrophobicContact CE1-CE2 3.34Å; F235-F345 HydrophobicContact CE1-CG 4.38Å; F235-F345 AromaticContact CE1-CZ 3.26Å; F235-F345 HydrophobicContact CE1-CZ 3.26Å; F235-F345 HydrophobicContact CZ-CD1 4.05Å; F235-F345 AromaticContact CZ-CD2 3.88Å; F235-F345 HydrophobicContact CZ-CD2 3.88Å; F235-F345 AromaticContact CZ-CE1 3.95Å; F235-F345 HydrophobicContact CZ-CE1 3.95Å; F235-F345 AromaticContact CZ-CE2 3.81Å; F235-F345 HydrophobicContact CZ-CE2 3.81Å; F235-F345 HydrophobicContact CZ-CG 4.02Å; F235-F345 AromaticContact CZ-CZ 3.83Å; F235-F345 HydrophobicContact CZ-CZ 3.83Å
236G98.6Very high97.9Very high14 Ų1456.9 Ų56.914%0.14429%0.291CS..THydrogen-bonded Turntrans129.23.3173.800000115.8A232 K233 T238A232-G236 PolarHBondContact O-N 3.47Å; A232-G236 VanDerWaalsContact O-N 3.12Å; K233-G236 PolarHBondContact O-N 2.88Å; K233-G236 VanDerWaalsContact O-N 3.08Å; G236-T238 PolarHBondContact O-N 2.9Å
237A98.8Very high97.9Very high7 Ų760.8 Ų60.86%0.05832%0.317CS..  trans-58.9133.9173.900000110I208 I219 A232 K233I208-A237 HydrophobicContact CD1-CB 4.13Å; I208-A237 HydrophobicContact CG2-CB 4.35Å; I208-A237 VanDerWaalsContact CG2-N 3.26Å; I219-A237 CarbonylContact O-C 3.52Å; I219-A237 WeakPolarHBondContact O-CA 3.39Å; A232-A237 HydrophobicContact CB-CB 4.08Å; A232-A237 VanDerWaalsContact O-CB 3.32Å; A232-A237 WeakPolarHBondContact O-CB 3.47Å; A232-A237 PolarHBondContact O-N 3Å; K233-A237 HydrophobicContact CD-CB 4.15Å; K233-A237 WeakPolarHBondContact CD-O 3.5Å
238T98.8Very high98Very high59 Ų5958.6 Ų58.636%0.36230%0.301SS..SBendtrans-84.9-26.8176.157.70000111.3I219 K233 G236I219-T238 PolarHBondContact N-OG1 2.97Å; I219-T238 PolarHBondContact O-N 2.86Å; I219-T238 PolarHBondContact O-OG1 3.11Å; K233-T238 VanDerWaalsContact NZ-C 3.25Å; K233-T238 PolarHBondContact NZ-O 3.42Å; G236-T238 PolarHBondContact O-N 2.9Å
239E98.1Very high98.2Very high44 Ų4458.7 Ų58.721%0.20631%0.307CS..EExtended strand (participates in β ladder)trans-154.2158.3176.966.7-154.379.100110.3R218 I219 I220 G221 M257R218-E239 IonicContact CZ-OE1 3.35Å; R218-E239 IonicContact CZ-OE2 2.74Å; R218-E239 IonicContact NE-OE1 2.89Å; R218-E239 PolarHBondContact NE-OE1 3.47Å; R218-E239 IonicContact NE-OE2 3.45Å; R218-E239 IonicContact NH2-OE1 2.72Å; R218-E239 PolarHBondContact NH2-OE1 3Å; R218-E239 IonicContact NH2-OE2 3.56Å; R218-E239 PolarHBondContact NH2-OE2 2.94Å; I219-E239 PolarHBondContact O-N 3.23Å; I220-E239 HydrophobicContact CB-CG 4.1Å; I220-E239 HydrophobicContact CG1-CG 3.77Å; I220-E239 HydrophobicContact CG2-CG 3.94Å; G221-E239 PolarHBondContact N-O 3.15Å; E239-M257 WeakPolarHBondContact OE2-CE 3.44Å
240C98.8Very high98.2Very high25 Ų2558.1 Ų58.117%0.16931%0.305CS..EExtended strand (participates in β ladder)trans-134.4142.9175.9-59.60000109.1G221 F229G221-C240 CarbonylContact O-C 3.49Å; G221-C240 WeakPolarHBondContact O-CA 3.45Å; F229-C240 HydrophobicContact CB-CB 3.8Å; F229-C240 HydrophobicContact CD1-CB 3.6Å; F229-C240 HydrophobicContact CD2-CB 3.57Å; F229-C240 HydrophobicContact CE1-CB 4Å; F229-C240 HydrophobicContact CE2-CB 3.97Å; F229-C240 HydrophobicContact CG-CB 3.37Å; F229-C240 HydrophobicContact CZ-CB 4.17Å
241I98.6Very high98.2Very high16 Ų1656.3 Ų56.38%0.08229%0.285CS..EExtended strand (participates in β ladder)trans-134.3143.1178.860.5176.3000110.8I220 G221 I222 D223 F229 F246 I250 V253 L254 M257I220-I241 HydrophobicContact CG2-CD1 4.16Å; I220-I241 HydrophobicContact CG2-CG1 4.22Å; G221-I241 PolarHBondContact O-N 3.45Å; I222-I241 WeakPolarHBondContact CA-O 3.31Å; I222-I241 HydrophobicContact CB-CG1 4.44Å; I222-I241 HydrophobicContact CG1-CD1 3.99Å; I222-I241 HydrophobicContact CG1-CG1 3.72Å; I222-I241 HydrophobicContact CG2-CG1 4.45Å; D223-I241 PolarHBondContact N-O 2.86Å; F229-I241 WeakPolarHBondContact CZ-O 3.39Å; I241-F246 HydrophobicContact CB-CE2 4.06Å; I241-F246 HydrophobicContact CB-CZ 4.34Å; I241-F246 HydrophobicContact CG2-CZ 4.36Å; I241-I250 HydrophobicContact CD1-CD1 3.63Å; I241-I250 HydrophobicContact CG1-CD1 4.27Å; I241-V253 HydrophobicContact CD1-CG1 4.47Å; I241-L254 HydrophobicContact CD1-CD2 3.77Å; I241-L254 HydrophobicContact CD1-CG 4.25Å; I241-M257 HydrophobicContact CD1-SD 4.04Å; I241-M257 HydrophobicContact CG2-CE 3.97Å; I241-M257 HydrophobicContact CG2-SD 4.3Å
242N98.6Very high98.3Very high5 Ų557.8 Ų57.83%0.02729%0.293CS..  trans-101.3120.9171.5-176.5-19.8000109.4D223 I224 K226 F229 Q244 E245 F246D223-N242 WeakPolarHBondContact O-CA 3.39Å; I224-N242 PolarHBondContact O-ND2 3.44Å; K226-N242 HydrophobicContact CG-CB 4.22Å; F229-N242 HydrophobicContact CE2-CB 4.42Å; F229-N242 HydrophobicContact CZ-CB 3.98Å; N242-Q244 PolarHBondContact ND2-OE1 3.34Å; N242-Q244 PolarHBondContact O-N 2.74Å; N242-Q244 VanDerWaalsContact OD1-CB 3.3Å; N242-Q244 WeakPolarHBondContact OD1-CB 3.49Å; N242-Q244 WeakPolarHBondContact OD1-CG 3.46Å; N242-Q244 PolarHBondContact OD1-N 3.36Å; N242-E245 HydrophobicContact CB-CG 4.08Å; N242-E245 VanDerWaalsContact CB-OE1 3.27Å; N242-E245 WeakPolarHBondContact CB-OE1 3.24Å; N242-E245 PolarHBondContact O-N 2.66Å; N242-F246 VanDerWaalsContact O-CD2 3.24Å; N242-F246 WeakPolarHBondContact O-CD2 3.33Å; N242-F246 VanDerWaalsContact O-CE2 3.27Å; N242-F246 WeakPolarHBondContact O-CE2 3.11Å
243P98.3Very high98.4Very high38 Ų3858.2 Ų58.225%0.24730%0.295CS..G310 helixtrans-54.1-26.3177.3-25.934.5000114.9I222 E245 F246 I250I222-P243 HydrophobicContact CG2-CG 3.54Å; P243-E245 PolarHBondContact O-N 2.98Å; P243-F246 PolarHBondContact O-N 2.91Å; P243-I250 HydrophobicContact CB-CB 4.3Å; P243-I250 HydrophobicContact CB-CD1 4.13Å; P243-I250 HydrophobicContact CB-CG1 4.3Å; P243-I250 HydrophobicContact CG-CB 4.46Å; P243-I250 HydrophobicContact CG-CD1 3.99Å; P243-I250 HydrophobicContact CG-CG1 4.02Å
244Q97.7Very high98.4Very high141 Ų14153.6 Ų53.666%0.65928%0.275SS*.G310 helixtrans-72.4-11.8-179.6-60.6176.1-34.400113.7I224 N242 F246I224-Q244 HydrophobicContact CG2-CG 4.38Å; N242-Q244 PolarHBondContact ND2-OE1 3.34Å; N242-Q244 PolarHBondContact O-N 2.74Å; N242-Q244 VanDerWaalsContact OD1-CB 3.3Å; N242-Q244 WeakPolarHBondContact OD1-CB 3.49Å; N242-Q244 WeakPolarHBondContact OD1-CG 3.46Å; N242-Q244 PolarHBondContact OD1-N 3.36Å; Q244-F246 VanDerWaalsContact C-N 3.3Å
245E98Very high98.4Very high108 Ų10851.1 Ų51.151%0.50527%0.265SS..G310 helixtrans-88.1-0.5177.9-63.2-177.9-116.600113.1K226 N242 P243K226-E245 VanDerWaalsContact CE-CD 3.45Å; K226-E245 WeakPolarHBondContact CE-OE1 3.3Å; K226-E245 IonicContact NZ-OE1 3.64Å; K226-E245 PolarHBondContact NZ-OE1 3.41Å; K226-E245 IonicContact NZ-OE2 2.68Å; K226-E245 PolarHBondContact NZ-OE2 3.39Å; N242-E245 HydrophobicContact CB-CG 4.08Å; N242-E245 VanDerWaalsContact CB-OE1 3.27Å; N242-E245 WeakPolarHBondContact CB-OE1 3.24Å; N242-E245 PolarHBondContact O-N 2.66Å; P243-E245 PolarHBondContact O-N 2.98Å
246F97.6Very high98.4Very high75 Ų7556.5 Ų56.533%0.32929%0.29SS..  trans-123.3141.3-175.9-54.8-86.2000110.6I241 N242 P243 Q244 V253I241-F246 HydrophobicContact CB-CE2 4.06Å; I241-F246 HydrophobicContact CB-CZ 4.34Å; I241-F246 HydrophobicContact CG2-CZ 4.36Å; N242-F246 VanDerWaalsContact O-CD2 3.24Å; N242-F246 WeakPolarHBondContact O-CD2 3.33Å; N242-F246 VanDerWaalsContact O-CE2 3.27Å; N242-F246 WeakPolarHBondContact O-CE2 3.11Å; P243-F246 PolarHBondContact O-N 2.91Å; Q244-F246 VanDerWaalsContact C-N 3.3Å; F246-V253 HydrophobicContact CB-CG2 3.75Å; F246-V253 HydrophobicContact CD1-CB 4.49Å; F246-V253 HydrophobicContact CD1-CG1 3.77Å; F246-V253 HydrophobicContact CD1-CG2 3.83Å; F246-V253 HydrophobicContact CD2-CG1 4.34Å; F246-V253 HydrophobicContact CD2-CG2 4.41Å; F246-V253 HydrophobicContact CE1-CG1 3.67Å; F246-V253 HydrophobicContact CE2-CG1 4.27Å; F246-V253 HydrophobicContact CG-CG1 4.12Å; F246-V253 HydrophobicContact CG-CG2 3.73Å; F246-V253 HydrophobicContact CZ-CG1 3.93Å
247N97.1Very high98.4Very high180 Ų18058.5 Ų58.596%0.96330%0.296SS*.SBendtrans-82.7-18.2172.7-64.7-34.1000112.4
248K97.9Very high98.4Very high95 Ų9559.2 Ų59.241%0.41330%0.3SS..SBendtrans-87.8152.7178.4-63.9-177.4-174.1173.60110.6I250 E252 V253 E256K248-I250 PolarHBondContact O-N 3.16Å; K248-E252 HydrophobicContact CB-CB 4.41Å; K248-V253 HydrophobicContact CB-CG2 3.99Å; K248-E256 IonicContact NZ-OE1 2.59Å; K248-E256 PolarHBondContact NZ-OE1 3.1Å; K248-E256 IonicContact NZ-OE2 2.78Å; K248-E256 PolarHBondContact NZ-OE2 3.15Å
249P98.6Very high98.4Very high59 Ų5963.6 Ų63.638%0.38332%0.321SS..  trans-51.6139.6166.6-24.734.3000111.5Q251 E252 V253P249-Q251 HydrophobicContact CB-CG 4.4Å; P249-Q251 VanDerWaalsContact CB-OE1 3.32Å; P249-Q251 PolarHBondContact O-N 3.13Å; P249-Q251 VanDerWaalsContact O-N 3.12Å; P249-E252 HydrophobicContact CB-CG 4.37Å; P249-E252 WeakPolarHBondContact O-CB 3.24Å; P249-E252 PolarHBondContact O-N 3.45Å; P249-V253 PolarHBondContact O-N 3.14Å
250I98.8Very high98.4Very high20 Ų2062.6 Ų62.610%0.10332%0.322CS..Hα-helixtrans-58.8-31.5-173.3-170.458.8000113.2F198 I222 I241 P243 K248 E252 V253 L254 A277F198-I250 HydrophobicContact CE1-CG1 4.2Å; F198-I250 HydrophobicContact CE1-CG2 4Å; I222-I250 HydrophobicContact CG2-CD1 4.24Å; I222-I250 HydrophobicContact CG2-CG1 3.98Å; I241-I250 HydrophobicContact CD1-CD1 3.63Å; I241-I250 HydrophobicContact CG1-CD1 4.27Å; P243-I250 HydrophobicContact CB-CB 4.3Å; P243-I250 HydrophobicContact CB-CD1 4.13Å; P243-I250 HydrophobicContact CB-CG1 4.3Å; P243-I250 HydrophobicContact CG-CB 4.46Å; P243-I250 HydrophobicContact CG-CD1 3.99Å; P243-I250 HydrophobicContact CG-CG1 4.02Å; K248-I250 PolarHBondContact O-N 3.16Å; I250-E252 VanDerWaalsContact C-N 3.34Å; I250-E252 PolarHBondContact O-N 2.93Å; I250-V253 HydrophobicContact CD1-CB 4.44Å; I250-V253 PolarHBondContact O-N 3.39Å; I250-L254 HydrophobicContact CG1-CD1 4.47Å; I250-L254 WeakPolarHBondContact O-CG 3.26Å; I250-L254 PolarHBondContact O-N 3.14Å; I250-A277 HydrophobicContact CG2-CB 3.8Å
251Q98.8Very high98.4Very high31 Ų3161.6 Ų61.615%0.14532%0.316CS..Hα-helixtrans-66-34.9175.864.5-88.834.700112.9P249 L254 I255 A277 E280 A281P249-Q251 HydrophobicContact CB-CG 4.4Å; P249-Q251 VanDerWaalsContact CB-OE1 3.32Å; P249-Q251 PolarHBondContact O-N 3.13Å; P249-Q251 VanDerWaalsContact O-N 3.12Å; Q251-L254 PolarHBondContact O-N 3.47Å; Q251-I255 WeakPolarHBondContact O-CD1 3.26Å; Q251-I255 WeakPolarHBondContact O-CG1 3.32Å; Q251-I255 PolarHBondContact O-N 2.74Å; Q251-A277 HydrophobicContact CB-CB 4.4Å; Q251-A277 WeakPolarHBondContact CB-O 3.3Å; Q251-E280 HydrophobicContact CB-CB 4.08Å; Q251-E280 HydrophobicContact CG-CB 3.88Å; Q251-E280 PolarHBondContact NE2-OE2 2.91Å; Q251-A281 HydrophobicContact CB-CB 3.9Å
252E98.8Very high98.4Very high87 Ų8760.8 Ų60.841%0.40731%0.312SS..Hα-helixtrans-70.6-40.7176.4-66.4178.6-160.700110.5K248 P249 I250 L254 I255 E256K248-E252 HydrophobicContact CB-CB 4.41Å; P249-E252 HydrophobicContact CB-CG 4.37Å; P249-E252 WeakPolarHBondContact O-CB 3.24Å; P249-E252 PolarHBondContact O-N 3.45Å; I250-E252 VanDerWaalsContact C-N 3.34Å; I250-E252 PolarHBondContact O-N 2.93Å; E252-L254 VanDerWaalsContact C-N 3.33Å; E252-L254 PolarHBondContact O-N 2.93Å; E252-I255 PolarHBondContact O-N 2.98Å; E252-E256 WeakPolarHBondContact O-CG 3.19Å; E252-E256 PolarHBondContact O-N 2.85Å
253V98.8Very high98.4Very high9 Ų962.1 Ų62.16%0.05532%0.319CS..Hα-helixtrans-57.5-47.4173.9178.30000110.5I241 F246 K248 P249 I250 E256 M257I241-V253 HydrophobicContact CD1-CG1 4.47Å; F246-V253 HydrophobicContact CB-CG2 3.75Å; F246-V253 HydrophobicContact CD1-CB 4.49Å; F246-V253 HydrophobicContact CD1-CG1 3.77Å; F246-V253 HydrophobicContact CD1-CG2 3.83Å; F246-V253 HydrophobicContact CD2-CG1 4.34Å; F246-V253 HydrophobicContact CD2-CG2 4.41Å; F246-V253 HydrophobicContact CE1-CG1 3.67Å; F246-V253 HydrophobicContact CE2-CG1 4.27Å; F246-V253 HydrophobicContact CG-CG1 4.12Å; F246-V253 HydrophobicContact CG-CG2 3.73Å; F246-V253 HydrophobicContact CZ-CG1 3.93Å; K248-V253 HydrophobicContact CB-CG2 3.99Å; P249-V253 PolarHBondContact O-N 3.14Å; I250-V253 HydrophobicContact CD1-CB 4.44Å; I250-V253 PolarHBondContact O-N 3.39Å; V253-E256 PolarHBondContact O-N 3.17Å; V253-M257 HydrophobicContact CG1-CG 4.39Å; V253-M257 HydrophobicContact CG1-SD 3.72Å; V253-M257 WeakPolarHBondContact O-CB 3.42Å; V253-M257 WeakPolarHBondContact O-CG 3.33Å; V253-M257 PolarHBondContact O-N 3.29Å
254L98.8Very high98.4Very high0 Ų060.9 Ų60.90%031%0.31CS..Hα-helixtrans-64.2-42.8178.2-74169.4000112.4A196 F198 I220 I222 I241 I250 Q251 E252 E256 M257 T258 A281A196-L254 HydrophobicContact CB-CD1 4.21Å; F198-L254 HydrophobicContact CE1-CD1 3.96Å; F198-L254 HydrophobicContact CE2-CD1 4.16Å; F198-L254 HydrophobicContact CZ-CD1 3.34Å; I220-L254 HydrophobicContact CB-CD2 4.36Å; I220-L254 HydrophobicContact CD1-CD2 3.92Å; I220-L254 HydrophobicContact CG2-CD2 3.73Å; I222-L254 HydrophobicContact CD1-CD1 4.27Å; I222-L254 HydrophobicContact CD1-CD2 4.43Å; I222-L254 HydrophobicContact CG1-CD1 4.48Å; I241-L254 HydrophobicContact CD1-CD2 3.77Å; I241-L254 HydrophobicContact CD1-CG 4.25Å; I250-L254 HydrophobicContact CG1-CD1 4.47Å; I250-L254 WeakPolarHBondContact O-CG 3.26Å; I250-L254 PolarHBondContact O-N 3.14Å; Q251-L254 PolarHBondContact O-N 3.47Å; E252-L254 VanDerWaalsContact C-N 3.33Å; E252-L254 PolarHBondContact O-N 2.93Å; L254-E256 VanDerWaalsContact C-N 3.32Å; L254-E256 PolarHBondContact O-N 3.19Å; L254-M257 PolarHBondContact O-N 2.93Å; L254-T258 WeakPolarHBondContact O-CB 3.43Å; L254-T258 WeakPolarHBondContact O-CG2 3.4Å; L254-T258 PolarHBondContact O-N 3.22Å; L254-T258 VanDerWaalsContact O-N 3.08Å; L254-T258 PolarHBondContact O-OG1 2.85Å; L254-A281 HydrophobicContact CB-CB 4.05Å; L254-A281 HydrophobicContact CD1-CB 3.71Å
255I98.8Very high98.5Very high54 Ų5454.2 Ų54.228%0.27728%0.279SS..Hα-helixtrans-58.4-45.9176-72162.6000110.6Q251 E252 T258 D259 G260Q251-I255 WeakPolarHBondContact O-CD1 3.26Å; Q251-I255 WeakPolarHBondContact O-CG1 3.32Å; Q251-I255 PolarHBondContact O-N 2.74Å; E252-I255 PolarHBondContact O-N 2.98Å; I255-T258 CarbonylContact O-C 3.59Å; I255-T258 PolarHBondContact O-N 3.11Å; I255-D259 PolarHBondContact O-N 2.91Å; I255-G260 PolarHBondContact O-N 2.88Å
256E98.6Very high98.5Very high119 Ų11949 Ų4956%0.55626%0.255SS*.Hα-helixtrans-64.2-42.8177.8-72.7177.2179.500111.9K248 E252 V253 L254 T258K248-E256 IonicContact NZ-OE1 2.59Å; K248-E256 PolarHBondContact NZ-OE1 3.1Å; K248-E256 IonicContact NZ-OE2 2.78Å; K248-E256 PolarHBondContact NZ-OE2 3.15Å; E252-E256 WeakPolarHBondContact O-CG 3.19Å; E252-E256 PolarHBondContact O-N 2.85Å; V253-E256 PolarHBondContact O-N 3.17Å; L254-E256 VanDerWaalsContact C-N 3.32Å; L254-E256 PolarHBondContact O-N 3.19Å; E256-T258 PolarHBondContact O-N 3.11Å
257M98.4Very high98.6Very high56 Ų5645.5 Ų45.528%0.27624%0.239SC..Hα-helixtrans-65-22.2178.4-74.2172.565.700113.8R218 E239 I241 V253 L254R218-M257 PolarHBondContact NH1-O 3.32Å; R218-M257 PolarHBondContact NH2-O 2.92Å; E239-M257 WeakPolarHBondContact OE2-CE 3.44Å; I241-M257 HydrophobicContact CD1-SD 4.04Å; I241-M257 HydrophobicContact CG2-CE 3.97Å; I241-M257 HydrophobicContact CG2-SD 4.3Å; V253-M257 HydrophobicContact CG1-CG 4.39Å; V253-M257 HydrophobicContact CG1-SD 3.72Å; V253-M257 WeakPolarHBondContact O-CB 3.42Å; V253-M257 WeakPolarHBondContact O-CG 3.33Å; V253-M257 PolarHBondContact O-N 3.29Å; L254-M257 PolarHBondContact O-N 2.93Å
258T98.6Very high98.6Very high22 Ų2237.9 Ų37.914%0.13520%0.2CC..THydrogen-bonded Turntrans-122.110.2-170.158.70000113.3T194 I220 L254 I255 E256 G260 G261 V262T194-T258 HydrophobicContact CG2-CG2 4.09Å; I220-T258 HydrophobicContact CD1-CG2 3.75Å; L254-T258 WeakPolarHBondContact O-CB 3.43Å; L254-T258 WeakPolarHBondContact O-CG2 3.4Å; L254-T258 PolarHBondContact O-N 3.22Å; L254-T258 VanDerWaalsContact O-N 3.08Å; L254-T258 PolarHBondContact O-OG1 2.85Å; I255-T258 CarbonylContact O-C 3.59Å; I255-T258 PolarHBondContact O-N 3.11Å; E256-T258 PolarHBondContact O-N 3.11Å; T258-G260 VanDerWaalsContact C-N 3.29Å; T258-G260 PolarHBondContact O-N 3.41Å; T258-G261 WeakPolarHBondContact OG1-CA 3.34Å; T258-G261 PolarHBondContact OG1-N 3.47Å; T258-G261 VanDerWaalsContact OG1-N 3.07Å; T258-G261 PolarHBondContact OG1-O 2.88Å; T258-V262 HydrophobicContact CG2-CG1 4.03Å
259D98.2Very high98.5Very high152 Ų15237.7 Ų37.781%0.81320%0.202SC*.THydrogen-bonded Turntrans52.342.6-179.7-166.734.7000113.7I255I255-D259 PolarHBondContact O-N 2.91Å
260G97.8Very high98.3Very high22 Ų2235.6 Ų35.623%0.22719%0.192CC..SBendtrans137.5-11.2175.200000116.4I255 T258I255-G260 PolarHBondContact O-N 2.88Å; T258-G260 VanDerWaalsContact C-N 3.29Å; T258-G260 PolarHBondContact O-N 3.41Å
261G98.8Very high98.2Very high4 Ų438 Ų384%0.04121%0.205CC..  trans122.5171.8178.400000113.2T258 A281 H283T258-G261 WeakPolarHBondContact OG1-CA 3.34Å; T258-G261 PolarHBondContact OG1-N 3.47Å; T258-G261 VanDerWaalsContact OG1-N 3.07Å; T258-G261 PolarHBondContact OG1-O 2.88Å; G261-A281 CarbonylContact C-O 3.5Å; G261-A281 WeakPolarHBondContact CA-O 3.48Å; G261-H283 PolarHBondContact O-CD2 2.83Å
262V98.9Very high98.2Very high0 Ų037.4 Ų37.40%020%0.203CC..BIsolated β-bridgetrans-86.9151.5179.5-61.70000112.5T194 A196 I220 T258 F264 A281 A282 H283T194-V262 HydrophobicContact CG2-CB 4.23Å; T194-V262 HydrophobicContact CG2-CG1 3.79Å; A196-V262 HydrophobicContact CB-CB 4.38Å; A196-V262 HydrophobicContact CB-CG1 3.9Å; A196-V262 HydrophobicContact CB-CG2 3.84Å; I220-V262 HydrophobicContact CD1-CG1 4.34Å; T258-V262 HydrophobicContact CG2-CG1 4.03Å; V262-F264 VanDerWaalsContact C-N 3.34Å; V262-F264 WeakPolarHBondContact CG2-O 3.42Å; V262-A281 PolarHBondContact N-O 3.02Å; V262-A282 CarbonylContact O-C 3.48Å; V262-A282 VanDerWaalsContact O-CA 3.31Å; V262-A282 WeakPolarHBondContact O-CA 3.47Å; V262-H283 PolarHBondContact O-N 3.42Å
263D98.9Very high98.2Very high33 Ų3341.4 Ų41.418%0.17622%0.219CC..SBendtrans-65-41.8174.1-57.2-51.7000110.9S193 T194 W286 G287 V288S193-D263 WeakPolarHBondContact CA-OD2 3.35Å; T194-D263 PolarHBondContact N-OD2 3.17Å; T194-D263 WeakPolarHBondContact O-CB 3.38Å; T194-D263 PolarHBondContact O-N 2.89Å; D263-W286 PolarHBondContact OD1-NE1 2.83Å; D263-G287 WeakPolarHBondContact O-CA 3.43Å; D263-V288 PolarHBondContact O-N 3.38Å
264F98.9Very high98.2Very high12 Ų1242.6 Ų42.65%0.05323%0.226CC..EExtended strand (participates in β ladder)trans-132.9132.9179.3-60.9-86.2000112.1A187 V189 E190 T194 C195 A196 V262 F266 V288A187-F264 HydrophobicContact CB-CD1 3.66Å; A187-F264 HydrophobicContact CB-CE1 4Å; A187-F264 HydrophobicContact CB-CG 4.46Å; A187-F264 WeakPolarHBondContact O-CE1 3.4Å; V189-F264 HydrophobicContact CB-CD2 4.49Å; V189-F264 HydrophobicContact CG1-CD2 4.34Å; V189-F264 HydrophobicContact CG2-CB 4.38Å; V189-F264 HydrophobicContact CG2-CD1 4.39Å; V189-F264 HydrophobicContact CG2-CD2 4.08Å; V189-F264 HydrophobicContact CG2-CG 4.01Å; E190-F264 WeakPolarHBondContact OE2-CE2 3.44Å; E190-F264 WeakPolarHBondContact OE2-CZ 3.32Å; T194-F264 PolarHBondContact O-N 3.01Å; C195-F264 CarbonylContact C-O 3.59Å; C195-F264 WeakPolarHBondContact CA-O 3.44Å; A196-F264 PolarHBondContact N-O 2.84Å; V262-F264 VanDerWaalsContact C-N 3.34Å; V262-F264 WeakPolarHBondContact CG2-O 3.42Å; F264-F266 HydrophobicContact CB-CE2 3.72Å; F264-F266 HydrophobicContact CB-CZ 4.07Å; F264-V288 CarbonylContact C-O 3.57Å; F264-V288 VanDerWaalsContact CA-O 3.3Å; F264-V288 WeakPolarHBondContact CA-O 3.32Å; F264-V288 HydrophobicContact CD1-CB 3.73Å; F264-V288 HydrophobicContact CD1-CG1 4.38Å; F264-V288 HydrophobicContact CD1-CG2 4.29Å; F264-V288 HydrophobicContact CE1-CB 3.87Å; F264-V288 HydrophobicContact CE1-CG2 3.92Å
265S98.9Very high98.2Very high0 Ų042.8 Ų42.80%023%0.228CC..EExtended strand (participates in β ladder)trans-121.6141.4170.964.70000111.2A196 A278 V288 S289 V290A196-S265 CarbonylContact O-C 3.59Å; A196-S265 VanDerWaalsContact O-CA 3.3Å; A196-S265 WeakPolarHBondContact O-CA 3.29Å; S265-A278 WeakPolarHBondContact CB-O 3.36Å; S265-A278 PolarHBondContact OG-O 2.93Å; S265-V288 PolarHBondContact N-O 2.79Å; S265-S289 CarbonylContact O-C 3.23Å; S265-S289 WeakPolarHBondContact O-CA 3.34Å; S265-S289 VanDerWaalsContact OG-CA 3.3Å; S265-S289 WeakPolarHBondContact OG-CA 3.31Å; S265-S289 WeakPolarHBondContact OG-CB 3.48Å; S265-S289 PolarHBondContact OG-OG 3.18Å; S265-V290 PolarHBondContact O-N 3.08Å
266F98.9Very high98.2Very high0 Ų044.4 Ų44.40%023%0.23CC..EExtended strand (participates in β ladder)trans-125.8122.8179.9-58.2-94.3000110.1A182 A183 A187 V189 C195 A196 V197 F198 V207 F264 V290 V292A182-F266 HydrophobicContact CB-CD1 4.13Å; A182-F266 HydrophobicContact CB-CE1 4.2Å; A183-F266 HydrophobicContact CB-CZ 4.33Å; A187-F266 HydrophobicContact CB-CE1 3.68Å; A187-F266 HydrophobicContact CB-CZ 3.55Å; V189-F266 HydrophobicContact CG2-CE2 4.32Å; V189-F266 HydrophobicContact CG2-CZ 3.83Å; C195-F266 HydrophobicContact CB-CE2 4.48Å; A196-F266 PolarHBondContact O-N 3.35Å; V197-F266 HydrophobicContact CG2-CD2 4.34Å; F198-F266 PolarHBondContact N-O 3.44Å; V207-F266 HydrophobicContact CG1-CB 3.76Å; V207-F266 HydrophobicContact CG1-CD1 3.82Å; V207-F266 HydrophobicContact CG1-CD2 3.46Å; V207-F266 VanDerWaalsContact CG1-CD2 3.46Å; V207-F266 HydrophobicContact CG1-CE1 4.27Å; V207-F266 HydrophobicContact CG1-CE2 3.94Å; V207-F266 HydrophobicContact CG1-CG 3.39Å; V207-F266 HydrophobicContact CG1-CZ 4.32Å; V207-F266 HydrophobicContact CG2-CB 4.34Å; V207-F266 HydrophobicContact CG2-CD1 4.39Å; V207-F266 HydrophobicContact CG2-CG 4.43Å; F264-F266 HydrophobicContact CB-CE2 3.72Å; F264-F266 HydrophobicContact CB-CZ 4.07Å; F266-V290 WeakPolarHBondContact CA-O 3.41Å; F266-V290 HydrophobicContact CD1-CB 3.77Å; F266-V290 HydrophobicContact CD1-CG1 4.34Å; F266-V290 HydrophobicContact CD1-CG2 4.25Å; F266-V290 HydrophobicContact CE1-CB 4.03Å; F266-V290 HydrophobicContact CE1-CG2 4Å; F266-V292 HydrophobicContact CD1-CG2 4.41Å
267E98.8Very high98.2Very high0 Ų039 Ų390%021%0.206CC..EExtended strand (participates in β ladder)trans-94.8118.3171.3-159.8-81.9-179.900109.4I269 G270 N271 V274 M275 A278 V290 V292 G293E267-I269 VanDerWaalsContact OE1-CB 3.27Å; E267-I269 WeakPolarHBondContact OE1-CB 3.32Å; E267-I269 PolarHBondContact OE1-N 2.86Å; E267-I269 PolarHBondContact OE2-N 2.75Å; E267-G270 VanDerWaalsContact CD-N 3.33Å; E267-G270 PolarHBondContact OE1-N 3.38Å; E267-G270 PolarHBondContact OE2-N 3.27Å; E267-N271 PolarHBondContact OE1-N 2.87Å; E267-V274 HydrophobicContact CG-CB 4.2Å; E267-V274 HydrophobicContact CG-CG1 3.95Å; E267-M275 HydrophobicContact CB-CG 4.02Å; E267-M275 HydrophobicContact CG-CB 4.3Å; E267-M275 HydrophobicContact CG-CG 3.62Å; E267-A278 HydrophobicContact CB-CB 4.35Å; E267-V290 PolarHBondContact N-O 3.12Å; E267-V292 CarbonylContact O-C 3.53Å; E267-V292 WeakPolarHBondContact O-CA 3.35Å; E267-V292 VanDerWaalsContact O-CB 3.24Å; E267-V292 WeakPolarHBondContact O-CB 3.43Å; E267-V292 PolarHBondContact O-N 3.26Å; E267-G293 PolarHBondContact O-N 2.8Å
268C98.4Very high98.2Very high20 Ų2036.3 Ų36.314%0.13519%0.192CC..  trans-121.629.7-173.6-55.30000112.1F198 V203F198-C268 WeakPolarHBondContact O-CA 3.43Å; F198-C268 WeakPolarHBondContact O-CB 3.21Å; F198-C268 PolarHBondContact O-N 3.41Å; V203-C268 HydrophobicContact CB-CB 4.35Å; V203-C268 HydrophobicContact CG1-CB 4.03Å
269I95.9Very high98.2Very high91 Ų9135.2 Ų35.247%0.46719%0.186SC..SBendtrans-118.8-46.5-175.5-48.4171.1000110.8E267 N271 V274E267-I269 VanDerWaalsContact OE1-CB 3.27Å; E267-I269 WeakPolarHBondContact OE1-CB 3.32Å; E267-I269 PolarHBondContact OE1-N 2.86Å; E267-I269 PolarHBondContact OE2-N 2.75Å; I269-N271 HydrophobicContact CG2-CB 4.37Å; I269-V274 HydrophobicContact CD1-CB 4.49Å; I269-V274 HydrophobicContact CD1-CG1 4.05Å; I269-V274 HydrophobicContact CD1-CG2 4.37Å
270G94.1Very high98.3Very high16 Ų1629 Ų2917%0.16515%0.152CC..  trans97.124.7-169.700000113.1E267 V294 A295E267-G270 VanDerWaalsContact CD-N 3.33Å; E267-G270 PolarHBondContact OE1-N 3.38Å; E267-G270 PolarHBondContact OE2-N 3.27Å; G270-V294 WeakPolarHBondContact CA-O 3.27Å; G270-A295 WeakPolarHBondContact O-CA 3.29Å
271N96.4Very high98.3Very high70 Ų7027.9 Ų27.937%0.37414%0.141SC..  trans-109.6115.5179-173.7-62.9000111.1E267 I269 K273 V274 M275E267-N271 PolarHBondContact OE1-N 2.87Å; I269-N271 HydrophobicContact CG2-CB 4.37Å; N271-K273 PolarHBondContact O-N 3.37Å; N271-K273 VanDerWaalsContact O-N 3.13Å; N271-K273 WeakPolarHBondContact OD1-CB 3.44Å; N271-K273 PolarHBondContact OD1-N 3.34Å; N271-V274 HydrophobicContact CB-CB 4.18Å; N271-V274 HydrophobicContact CB-CG2 3.93Å; N271-V274 CarbonylContact O-C 3.57Å; N271-V274 WeakPolarHBondContact O-CA 3.49Å; N271-V274 PolarHBondContact O-N 2.96Å; N271-V274 PolarHBondContact OD1-N 2.82Å; N271-M275 WeakPolarHBondContact O-CG 3.18Å; N271-M275 PolarHBondContact O-N 3.34Å
272V98Very high98.3Very high19 Ų1927.7 Ų27.712%0.11514%0.139CC..Hα-helixtrans-60.8-28.1-174.6-64.30000114.5M275 R276 A295 E299 I301V272-M275 HydrophobicContact CG1-SD 4.32Å; V272-M275 PolarHBondContact O-N 2.92Å; V272-R276 PolarHBondContact O-N 2.66Å; V272-R276 VanDerWaalsContact O-N 3.1Å; V272-A295 HydrophobicContact CG1-CB 3.89Å; V272-E299 HydrophobicContact CG1-CB 3.74Å; V272-E299 HydrophobicContact CG2-CB 4.46Å; V272-E299 WeakPolarHBondContact CG2-OE2 3.43Å; V272-I301 HydrophobicContact CB-CG2 4.01Å; V272-I301 HydrophobicContact CG1-CG2 3.86Å
273K98.6Very high98.3Very high170 Ų17029.5 Ų29.574%0.73915%0.147SC*.Hα-helixtrans-70.3-38174.4-59.3179.9-179.3175.60111.1N271 A277N271-K273 PolarHBondContact O-N 3.37Å; N271-K273 VanDerWaalsContact O-N 3.13Å; N271-K273 WeakPolarHBondContact OD1-CB 3.44Å; N271-K273 PolarHBondContact OD1-N 3.34Å; K273-A277 PolarHBondContact O-N 2.76Å; K273-A277 VanDerWaalsContact O-N 3.07Å
274V98.8Very high98.3Very high34 Ų3434.2 Ų34.221%0.20617%0.166CC..Hα-helixtrans-74.4-34.6175.9-173.70000111F198 E267 I269 N271 R276 A277 A278F198-V274 HydrophobicContact CB-CG1 3.67Å; F198-V274 HydrophobicContact CD1-CG1 3.61Å; F198-V274 HydrophobicContact CE1-CG1 4.49Å; F198-V274 HydrophobicContact CG-CG1 3.87Å; E267-V274 HydrophobicContact CG-CB 4.2Å; E267-V274 HydrophobicContact CG-CG1 3.95Å; I269-V274 HydrophobicContact CD1-CB 4.49Å; I269-V274 HydrophobicContact CD1-CG1 4.05Å; I269-V274 HydrophobicContact CD1-CG2 4.37Å; N271-V274 HydrophobicContact CB-CB 4.18Å; N271-V274 HydrophobicContact CB-CG2 3.93Å; N271-V274 CarbonylContact O-C 3.57Å; N271-V274 WeakPolarHBondContact O-CA 3.49Å; N271-V274 PolarHBondContact O-N 2.96Å; N271-V274 PolarHBondContact OD1-N 2.82Å; V274-R276 VanDerWaalsContact C-N 3.3Å; V274-R276 PolarHBondContact O-N 3.18Å; V274-A277 PolarHBondContact O-N 3.27Å; V274-A277 VanDerWaalsContact O-N 3.16Å; V274-A278 WeakPolarHBondContact O-CB 3.36Å; V274-A278 PolarHBondContact O-N 3.2Å
275M98.8Very high98.3Very high5 Ų535.8 Ų35.83%0.02519%0.186CC..Hα-helixtrans-59.4-43.6173-65.6178.1-172.500111.1E267 N271 V272 A278 L279 V291 G293 A295 I301 W314E267-M275 HydrophobicContact CB-CG 4.02Å; E267-M275 HydrophobicContact CG-CB 4.3Å; E267-M275 HydrophobicContact CG-CG 3.62Å; N271-M275 WeakPolarHBondContact O-CG 3.18Å; N271-M275 PolarHBondContact O-N 3.34Å; V272-M275 HydrophobicContact CG1-SD 4.32Å; V272-M275 PolarHBondContact O-N 2.92Å; M275-A278 PolarHBondContact O-N 3.28Å; M275-L279 PolarHBondContact O-N 2.96Å; M275-L279 VanDerWaalsContact O-N 3.13Å; M275-V291 HydrophobicContact CB-CG2 4.38Å; M275-V291 HydrophobicContact CE-CG1 3.56Å; M275-V291 HydrophobicContact CG-CG1 4.21Å; M275-V291 HydrophobicContact CG-CG2 4.2Å; M275-V291 HydrophobicContact SD-CG1 3.6Å; M275-V291 HydrophobicContact SD-CG2 4.13Å; M275-G293 WeakPolarHBondContact CE-O 3.35Å; M275-A295 HydrophobicContact CE-CB 4.02Å; M275-I301 HydrophobicContact CB-CG2 3.95Å; M275-I301 HydrophobicContact CG-CG2 4.42Å; M275-I301 HydrophobicContact SD-CG2 3.57Å; M275-I301 VanDerWaalsContact SD-CG2 3.57Å; M275-W314 HydrophobicContact CB-CZ2 4.15Å
276R98.9Very high98.3Very high87 Ų8742.8 Ų42.833%0.32821%0.212SC..Hα-helixtrans-60.4-48.9172.3175.4180-178.8170.1-7.4111.7V272 V274 A278 L279 E280 S302V272-R276 PolarHBondContact O-N 2.66Å; V272-R276 VanDerWaalsContact O-N 3.1Å; V274-R276 VanDerWaalsContact C-N 3.3Å; V274-R276 PolarHBondContact O-N 3.18Å; R276-A278 VanDerWaalsContact C-N 3.3Å; R276-A278 PolarHBondContact O-N 2.92Å; R276-L279 PolarHBondContact O-N 3.2Å; R276-E280 HydrophobicContact CG-CG 4.37Å; R276-E280 IonicContact CZ-OE1 3.23Å; R276-E280 IonicContact NE-OE1 2.84Å; R276-E280 PolarHBondContact NE-OE1 3.33Å; R276-E280 IonicContact NE-OE2 3.45Å; R276-E280 IonicContact NH2-OE1 2.78Å; R276-E280 PolarHBondContact NH2-OE1 3.48Å; R276-E280 WeakPolarHBondContact O-CG 3.35Å; R276-E280 PolarHBondContact O-N 2.94Å; R276-S302 WeakPolarHBondContact CB-O 3.3Å; R276-S302 WeakPolarHBondContact CD-O 3.41Å; R276-S302 WeakPolarHBondContact CG-O 3.46Å
277A98.9Very high98.3Very high5 Ų542.8 Ų42.84%0.04121%0.212CC..Hα-helixtrans-60.2-40.7179.300000111.7I250 Q251 K273 V274 L279 E280 A281I250-A277 HydrophobicContact CG2-CB 3.8Å; Q251-A277 HydrophobicContact CB-CB 4.4Å; Q251-A277 WeakPolarHBondContact CB-O 3.3Å; K273-A277 PolarHBondContact O-N 2.76Å; K273-A277 VanDerWaalsContact O-N 3.07Å; V274-A277 PolarHBondContact O-N 3.27Å; V274-A277 VanDerWaalsContact O-N 3.16Å; A277-L279 PolarHBondContact O-N 3.47Å; A277-E280 PolarHBondContact O-N 3.38Å; A277-A281 VanDerWaalsContact O-CB 3.26Å; A277-A281 WeakPolarHBondContact O-CB 3.41Å; A277-A281 PolarHBondContact O-N 3.3Å
278A98.9Very high98.3Very high0 Ų043.6 Ų43.60%022%0.217CC..Hα-helixtrans-58.9-48.9175.400000111.4F198 S265 E267 V274 M275 R276 E280 A281 A282F198-A278 HydrophobicContact CD2-CB 3.69Å; F198-A278 HydrophobicContact CE2-CB 3.55Å; F198-A278 HydrophobicContact CG-CB 4.4Å; F198-A278 HydrophobicContact CZ-CB 4.14Å; S265-A278 WeakPolarHBondContact CB-O 3.36Å; S265-A278 PolarHBondContact OG-O 2.93Å; E267-A278 HydrophobicContact CB-CB 4.35Å; V274-A278 WeakPolarHBondContact O-CB 3.36Å; V274-A278 PolarHBondContact O-N 3.2Å; M275-A278 PolarHBondContact O-N 3.28Å; R276-A278 VanDerWaalsContact C-N 3.3Å; R276-A278 PolarHBondContact O-N 2.92Å; A278-E280 PolarHBondContact O-N 2.97Å; A278-A281 PolarHBondContact O-N 2.66Å; A278-A282 PolarHBondContact O-N 3.22Å
279L98.9Very high98.3Very high0 Ų042.6 Ų42.60%021%0.211CC..Hα-helixtrans-58.2-49.8174177.669.9000112.3M275 R276 A277 A281 A282 S289 T303 L308 R312 W314M275-L279 PolarHBondContact O-N 2.96Å; M275-L279 VanDerWaalsContact O-N 3.13Å; R276-L279 PolarHBondContact O-N 3.2Å; A277-L279 PolarHBondContact O-N 3.47Å; L279-A281 PolarHBondContact O-N 3.33Å; L279-A282 VanDerWaalsContact O-CB 3.32Å; L279-A282 WeakPolarHBondContact O-CB 3.24Å; L279-A282 PolarHBondContact O-N 2.96Å; L279-A282 VanDerWaalsContact O-N 3.08Å; L279-S289 PolarHBondContact N-OG 2.95Å; L279-T303 HydrophobicContact CD2-CG2 3.67Å; L279-L308 HydrophobicContact CD1-CD2 4.26Å; L279-L308 HydrophobicContact CD2-CD2 4.14Å; L279-R312 HydrophobicContact CD1-CB 3.94Å; L279-R312 VanDerWaalsContact O-CD 3.26Å; L279-R312 WeakPolarHBondContact O-CD 3.32Å; L279-R312 PolarHBondContact O-NE 2.85Å; L279-W314 HydrophobicContact CB-CD2 4.33Å; L279-W314 HydrophobicContact CB-CZ2 4.23Å; L279-W314 HydrophobicContact CD1-CB 4.13Å; L279-W314 HydrophobicContact CD1-CD2 4.43Å; L279-W314 HydrophobicContact CD1-CG 4.15Å; L279-W314 HydrophobicContact CD2-CD2 3.69Å; L279-W314 HydrophobicContact CD2-CE3 3.44Å; L279-W314 VanDerWaalsContact CD2-CE3 3.44Å; L279-W314 HydrophobicContact CD2-CG 4.24Å; L279-W314 HydrophobicContact CD2-CH2 4.13Å; L279-W314 HydrophobicContact CD2-CZ2 4.4Å; L279-W314 HydrophobicContact CD2-CZ3 3.67Å; L279-W314 HydrophobicContact CG-CD2 4.37Å
280E98.9Very high98.5Very high20 Ų2038.3 Ų38.39%0.09319%0.188CC..Hα-helixtrans-66.6-25.5-176.1-70.2178.2177.200112.2Q251 R276 A277 A278 A282 T303 Q307Q251-E280 HydrophobicContact CB-CB 4.08Å; Q251-E280 HydrophobicContact CG-CB 3.88Å; Q251-E280 PolarHBondContact NE2-OE2 2.91Å; R276-E280 HydrophobicContact CG-CG 4.37Å; R276-E280 IonicContact CZ-OE1 3.23Å; R276-E280 IonicContact NE-OE1 2.84Å; R276-E280 PolarHBondContact NE-OE1 3.33Å; R276-E280 IonicContact NE-OE2 3.45Å; R276-E280 IonicContact NH2-OE1 2.78Å; R276-E280 PolarHBondContact NH2-OE1 3.48Å; R276-E280 WeakPolarHBondContact O-CG 3.35Å; R276-E280 PolarHBondContact O-N 2.94Å; A277-E280 PolarHBondContact O-N 3.38Å; A278-E280 PolarHBondContact O-N 2.97Å; E280-A282 VanDerWaalsContact C-N 3.33Å; E280-T303 PolarHBondContact OE1-OG1 3.07Å; E280-Q307 HydrophobicContact CG-CG 4.24Å
281A98.9Very high98.7Very high0 Ų038.8 Ų38.80%019%0.188CC..Hα-helixtrans-76.6-15174.100000114.1F198 Q251 L254 G261 V262 A277 A278 L279F198-A281 HydrophobicContact CZ-CB 4.26Å; Q251-A281 HydrophobicContact CB-CB 3.9Å; L254-A281 HydrophobicContact CB-CB 4.05Å; L254-A281 HydrophobicContact CD1-CB 3.71Å; G261-A281 CarbonylContact C-O 3.5Å; G261-A281 WeakPolarHBondContact CA-O 3.48Å; V262-A281 PolarHBondContact N-O 3.02Å; A277-A281 VanDerWaalsContact O-CB 3.26Å; A277-A281 WeakPolarHBondContact O-CB 3.41Å; A277-A281 PolarHBondContact O-N 3.3Å; A278-A281 PolarHBondContact O-N 2.66Å; L279-A281 PolarHBondContact O-N 3.33Å
282A98.9Very high98.8Very high0 Ų036.2 Ų36.20%018%0.175CC..BIsolated β-bridgetrans-70.5151.9177.900000111.1V262 A278 L279 E280 R312V262-A282 CarbonylContact O-C 3.48Å; V262-A282 VanDerWaalsContact O-CA 3.31Å; V262-A282 WeakPolarHBondContact O-CA 3.47Å; A278-A282 PolarHBondContact O-N 3.22Å; L279-A282 VanDerWaalsContact O-CB 3.32Å; L279-A282 WeakPolarHBondContact O-CB 3.24Å; L279-A282 PolarHBondContact O-N 2.96Å; L279-A282 VanDerWaalsContact O-N 3.08Å; E280-A282 VanDerWaalsContact C-N 3.33Å; A282-R312 HydrophobicContact CB-CG 4.47Å; A282-R312 PolarHBondContact O-NE 2.8Å; A282-R312 PolarHBondContact O-NH2 2.86Å
283H98.9Very high98.6Very high38 Ų3836 Ų3618%0.17618%0.176CC..PPolyproline II helixtrans-67.3139.9-174.9-161.7-75.2000111.7G261 V262 W286 G287G261-H283 PolarHBondContact O-CD2 2.83Å; V262-H283 PolarHBondContact O-N 3.42Å; H283-W286 HydrophobicContact CB-CZ2 4.29Å; H283-W286 AromaticContact CD2-CZ2 3.89Å; H283-W286 AromaticContact CE1-CH2 3.13Å; H283-W286 WeakPolarHBondContact CE1-CH2 3.3Å; H283-W286 AromaticContact CE1-CZ2 3.41Å; H283-W286 VanDerWaalsContact CE1-CZ2 3.41Å; H283-W286 WeakPolarHBondContact CE1-CZ2 3.38Å; H283-W286 AromaticContact CE1-CZ3 3.74Å; H283-W286 AromaticContact CG-CE2 3.81Å; H283-W286 AromaticContact CG-CZ2 3.57Å; H283-W286 AromaticContact ND1-CD2 4Å; H283-W286 AromaticContact ND1-CE2 3.59Å; H283-W286 AromaticContact ND1-CH2 3.3Å; H283-W286 VanDerWaalsContact ND1-CH2 3.3Å; H283-W286 WeakPolarHBondContact ND1-CH2 3.13Å; H283-W286 AromaticContact ND1-CZ2 3.24Å; H283-W286 WeakPolarHBondContact ND1-CZ2 3.32Å; H283-W286 AromaticContact ND1-CZ3 3.69Å; H283-W286 AromaticContact NE2-CH2 3.84Å; H283-W286 AromaticContact NE2-CZ2 3.82Å; H283-G287 WeakPolarHBondContact O-CA 3.4Å; H283-G287 PolarHBondContact O-N 2.88Å
284K98.8Very high98.2Very high132 Ų13233.4 Ų33.457%0.57418%0.175SC*.THydrogen-bonded Turntrans-60.9139.1172.6-171.8-17671.2-173.20110W286 T310K284-W286 PolarHBondContact O-N 2.8Å; K284-T310 WeakPolarHBondContact CG-O 3.45Å
285G98.8Very high97.7Very high45 Ų4533.3 Ų33.346%0.46418%0.177SC..THydrogen-bonded Turntrans97.9-43.2175.500000114T310 G311G285-T310 VanDerWaalsContact CA-O 3.3Å; G285-T310 WeakPolarHBondContact CA-O 3.31Å; G285-T310 PolarHBondContact N-O 3.36Å; G285-G311 CarbonylContact C-O 3.56Å; G285-G311 WeakPolarHBondContact O-CA 3.38Å
286W98.8Very high97Very high147 Ų14735.1 Ų35.156%0.55719%0.193SC*.THydrogen-bonded Turntrans-141.5-9.4-174.362.486000115.9D263 H283 K284D263-W286 PolarHBondContact OD1-NE1 2.83Å; H283-W286 HydrophobicContact CB-CZ2 4.29Å; H283-W286 AromaticContact CD2-CZ2 3.89Å; H283-W286 AromaticContact CE1-CH2 3.13Å; H283-W286 WeakPolarHBondContact CE1-CH2 3.3Å; H283-W286 AromaticContact CE1-CZ2 3.41Å; H283-W286 VanDerWaalsContact CE1-CZ2 3.41Å; H283-W286 WeakPolarHBondContact CE1-CZ2 3.38Å; H283-W286 AromaticContact CE1-CZ3 3.74Å; H283-W286 AromaticContact CG-CE2 3.81Å; H283-W286 AromaticContact CG-CZ2 3.57Å; H283-W286 AromaticContact ND1-CD2 4Å; H283-W286 AromaticContact ND1-CE2 3.59Å; H283-W286 AromaticContact ND1-CH2 3.3Å; H283-W286 VanDerWaalsContact ND1-CH2 3.3Å; H283-W286 WeakPolarHBondContact ND1-CH2 3.13Å; H283-W286 AromaticContact ND1-CZ2 3.24Å; H283-W286 WeakPolarHBondContact ND1-CZ2 3.32Å; H283-W286 AromaticContact ND1-CZ3 3.69Å; H283-W286 AromaticContact NE2-CH2 3.84Å; H283-W286 AromaticContact NE2-CZ2 3.82Å; K284-W286 PolarHBondContact O-N 2.8Å
287G98.9Very high96.3Very high0 Ų035 Ų350%021%0.205CC..  trans-60.5138.2-171.500000113.6D263 H283 R312 T313D263-G287 WeakPolarHBondContact O-CA 3.43Å; H283-G287 WeakPolarHBondContact O-CA 3.4Å; H283-G287 PolarHBondContact O-N 2.88Å; G287-R312 CarbonylContact O-C 3.57Å; G287-R312 VanDerWaalsContact O-CA 3.22Å; G287-R312 WeakPolarHBondContact O-CA 3.48Å; G287-T313 PolarHBondContact O-N 3.17Å
288V98.9Very high95.8Very high16 Ų1638.3 Ų38.310%0.09724%0.241CC..EExtended strand (participates in β ladder)trans-117.8126.6-178.2-176.30000110.7D263 F264 S265 V290 T313 K315D263-V288 PolarHBondContact O-N 3.38Å; F264-V288 CarbonylContact C-O 3.57Å; F264-V288 VanDerWaalsContact CA-O 3.3Å; F264-V288 WeakPolarHBondContact CA-O 3.32Å; F264-V288 HydrophobicContact CD1-CB 3.73Å; F264-V288 HydrophobicContact CD1-CG1 4.38Å; F264-V288 HydrophobicContact CD1-CG2 4.29Å; F264-V288 HydrophobicContact CE1-CB 3.87Å; F264-V288 HydrophobicContact CE1-CG2 3.92Å; S265-V288 PolarHBondContact N-O 2.79Å; V288-V290 HydrophobicContact CG1-CG2 4.25Å; V288-T313 WeakPolarHBondContact CA-O 3.13Å; V288-T313 HydrophobicContact CG1-CG2 4.48Å; V288-K315 HydrophobicContact CG1-CD 4.36Å
289S98.9Very high95.5Very high0 Ų043.9 Ų43.90%027%0.266CS..EExtended strand (participates in β ladder)trans-107.5127.2171.5-173.80000111.5S265 L279 T313 K315S265-S289 CarbonylContact O-C 3.23Å; S265-S289 WeakPolarHBondContact O-CA 3.34Å; S265-S289 VanDerWaalsContact OG-CA 3.3Å; S265-S289 WeakPolarHBondContact OG-CA 3.31Å; S265-S289 WeakPolarHBondContact OG-CB 3.48Å; S265-S289 PolarHBondContact OG-OG 3.18Å; L279-S289 PolarHBondContact N-OG 2.95Å; S289-T313 PolarHBondContact N-O 2.84Å; S289-K315 PolarHBondContact O-N 2.81Å
290V98.9Very high95.4Very high0 Ų051.5 Ų51.50%030%0.302CS..EExtended strand (participates in β ladder)trans-112.2116.7178.9-175.40000109.7T186 A187 S265 F266 E267 V288 V292 K315 T317T186-V290 HydrophobicContact CG2-CG1 3.88Å; T186-V290 HydrophobicContact CG2-CG2 4.27Å; A187-V290 HydrophobicContact CB-CG2 4.02Å; S265-V290 PolarHBondContact O-N 3.08Å; F266-V290 WeakPolarHBondContact CA-O 3.41Å; F266-V290 HydrophobicContact CD1-CB 3.77Å; F266-V290 HydrophobicContact CD1-CG1 4.34Å; F266-V290 HydrophobicContact CD1-CG2 4.25Å; F266-V290 HydrophobicContact CE1-CB 4.03Å; F266-V290 HydrophobicContact CE1-CG2 4Å; E267-V290 PolarHBondContact N-O 3.12Å; V288-V290 HydrophobicContact CG1-CG2 4.25Å; V290-V292 HydrophobicContact CG1-CG2 4.09Å; V290-K315 WeakPolarHBondContact CA-O 3.3Å; V290-T317 HydrophobicContact CG1-CG2 4.27Å
291V98.9Very high95.3Very high27 Ų2754.4 Ų54.416%0.16432%0.317CS..EExtended strand (participates in β ladder)trans-78.4119.4169.2-1790000109M275 G293 K315 G316 T317M275-V291 HydrophobicContact CB-CG2 4.38Å; M275-V291 HydrophobicContact CE-CG1 3.56Å; M275-V291 HydrophobicContact CG-CG1 4.21Å; M275-V291 HydrophobicContact CG-CG2 4.2Å; M275-V291 HydrophobicContact SD-CG1 3.6Å; M275-V291 HydrophobicContact SD-CG2 4.13Å; V291-G293 WeakPolarHBondContact CG1-O 3.34Å; V291-K315 PolarHBondContact N-O 3.35Å; V291-G316 VanDerWaalsContact O-CA 3.26Å; V291-G316 WeakPolarHBondContact O-CA 3.48Å; V291-T317 PolarHBondContact O-N 2.98Å
292V98.5Very high95.3Very high15 Ų1557.6 Ų57.69%0.09134%0.34CS..  trans-113.9-36.9177.1-1650000110.7T178 A182 V203 F266 E267 V290 T317T178-V292 HydrophobicContact CG2-CG1 3.53Å; A182-V292 HydrophobicContact CB-CG2 3.83Å; V203-V292 HydrophobicContact CG1-CB 4.27Å; V203-V292 HydrophobicContact CG1-CG1 3.46Å; V203-V292 VanDerWaalsContact CG1-CG1 3.46Å; F266-V292 HydrophobicContact CD1-CG2 4.41Å; E267-V292 CarbonylContact O-C 3.53Å; E267-V292 WeakPolarHBondContact O-CA 3.35Å; E267-V292 VanDerWaalsContact O-CB 3.24Å; E267-V292 WeakPolarHBondContact O-CB 3.43Å; E267-V292 PolarHBondContact O-N 3.26Å; V290-V292 HydrophobicContact CG1-CG2 4.09Å; V292-T317 HydrophobicContact CB-CG2 4.25Å; V292-T317 HydrophobicContact CG1-CG2 3.85Å; V292-T317 HydrophobicContact CG2-CG2 3.99Å
293G93.4Very high95.3Very high14 Ų1459.3 Ų59.314%0.14435%0.35CS..SBendtrans-65.8147.6173.800000112.8E267 M275 V291E267-G293 PolarHBondContact O-N 2.8Å; M275-G293 WeakPolarHBondContact CE-O 3.35Å; V291-G293 WeakPolarHBondContact CG1-O 3.34Å
294V90.9Very high95.3Very high117 Ų11766.2 Ų66.271%0.70938%0.375SS*.PPolyproline II helixtrans-99.3117.8178.2-1780000108.4G270G270-V294 WeakPolarHBondContact CA-O 3.27Å
295A88.4Confident95.3Very high31 Ų3164.6 Ų64.626%0.25638%0.378SS..PPolyproline II helixtrans-75.2155.517700000111.7G270 V272 M275 E299G270-A295 WeakPolarHBondContact O-CA 3.29Å; V272-A295 HydrophobicContact CG1-CB 3.89Å; M275-A295 HydrophobicContact CE-CB 4.02Å; A295-E299 HydrophobicContact CB-CB 4.29Å
296A84.4Confident95.3Very high44 Ų4469.1 Ų69.136%0.36439%0.385SS..PPolyproline II helixtrans-63.7155.3172.700000111.4Y50 G298 E299Y50-A296 HydrophobicContact CE2-CB 4.38Å; A296-G298 PolarHBondContact O-N 3.24Å; A296-E299 HydrophobicContact CB-CG 4.15Å; A296-E299 WeakPolarHBondContact O-CB 3.48Å; A296-E299 WeakPolarHBondContact O-CG 3.45Å; A296-E299 PolarHBondContact O-N 3.1Å
297S82.9Confident95.3Very high83 Ų8364 Ų6458%0.5837%0.367SS*.THydrogen-bonded Turntrans-58.8137.2179.5-178.50000113.2Y50 P57 E299Y50-S297 PolarHBondContact OH-N 3.33Å; P57-S297 WeakPolarHBondContact CG-OG 3.4Å; S297-E299 PolarHBondContact O-N 3.17Å
298G88.4Confident95.3Very high76 Ų7667.6 Ų67.678%0.78439%0.386SS*.THydrogen-bonded Turntrans81.8-5.9178.500000114.6A296A296-G298 PolarHBondContact O-N 3.24Å
299E92.3Very high95.3Very high116 Ų11672.3 Ų72.354%0.54242%0.415SS..  trans-74.2143.7173.5-68.8-78.3179.700111.3V272 A295 A296 S297V272-E299 HydrophobicContact CG1-CB 3.74Å; V272-E299 HydrophobicContact CG2-CB 4.46Å; V272-E299 WeakPolarHBondContact CG2-OE2 3.43Å; A295-E299 HydrophobicContact CB-CB 4.29Å; A296-E299 HydrophobicContact CB-CG 4.15Å; A296-E299 WeakPolarHBondContact O-CB 3.48Å; A296-E299 WeakPolarHBondContact O-CG 3.45Å; A296-E299 PolarHBondContact O-N 3.1Å; S297-E299 PolarHBondContact O-N 3.17Å
300E97.3Very high95.3Very high161 Ų16173.8 Ų73.875%0.75242%0.424SS*.  trans-123.5137.8-179.7-65.2-173.8156.100111.2
301I98.1Very high95.2Very high80 Ų8075 Ų7541%0.4144%0.436SS..  trans-82.6141.8167.457.1174000110V272 M275 W314V272-I301 HydrophobicContact CB-CG2 4.01Å; V272-I301 HydrophobicContact CG1-CG2 3.86Å; M275-I301 HydrophobicContact CB-CG2 3.95Å; M275-I301 HydrophobicContact CG-CG2 4.42Å; M275-I301 HydrophobicContact SD-CG2 3.57Å; M275-I301 VanDerWaalsContact SD-CG2 3.57Å; I301-W314 HydrophobicContact CB-CH2 3.63Å; I301-W314 HydrophobicContact CB-CZ2 3.96Å; I301-W314 HydrophobicContact CB-CZ3 4.28Å; I301-W314 HydrophobicContact CD1-CD2 4.1Å; I301-W314 HydrophobicContact CD1-CE3 4.03Å; I301-W314 HydrophobicContact CD1-CH2 3.83Å; I301-W314 HydrophobicContact CD1-CZ2 3.8Å; I301-W314 HydrophobicContact CD1-CZ3 3.91Å; I301-W314 HydrophobicContact CG1-CH2 4.06Å; I301-W314 HydrophobicContact CG1-CZ2 4.39Å; I301-W314 HydrophobicContact CG1-CZ3 4.25Å; I301-W314 HydrophobicContact CG2-CH2 4.36Å; I301-W314 HydrophobicContact CG2-CZ2 4.22Å
302S98.4Very high95.2Very high67 Ų6774.8 Ų74.847%0.46943%0.433SS..  trans-137150.1177.360.10000111.2R276R276-S302 WeakPolarHBondContact CB-O 3.3Å; R276-S302 WeakPolarHBondContact CD-O 3.41Å; R276-S302 WeakPolarHBondContact CG-O 3.46Å
303T98.8Very high95.3Very high36 Ų3676.6 Ų76.622%0.22144%0.444CS..  trans-158.7172.9167.8-166.70000109.2L279 E280 Q307 W314L279-T303 HydrophobicContact CD2-CG2 3.67Å; E280-T303 PolarHBondContact OE1-OG1 3.07Å; T303-Q307 WeakPolarHBondContact OG1-CG 3.22Å; T303-W314 HydrophobicContact CG2-CE3 4.38Å; T303-W314 HydrophobicContact CG2-CZ3 3.83Å
304R98.6Very high95.5Very high183 Ų18378.6 Ų78.669%0.69145%0.447SS*.  trans-79.2132.9170.4-66.6-173.1178.4179.11.4109.4F306 Q307R304-F306 PolarHBondContact O-N 2.99Å; R304-Q307 WeakPolarHBondContact O-CB 3.26Å; R304-Q307 WeakPolarHBondContact O-CG 3.43Å; R304-Q307 PolarHBondContact O-N 3.23Å
305P98.7Very high95.9Very high99 Ų9978 Ų7864%0.64344%0.435SS*.THydrogen-bonded Turntrans-53-29.4178.9-28.735000114Q307 L308 V309P305-Q307 PolarHBondContact O-N 3.27Å; P305-Q307 VanDerWaalsContact O-N 3.16Å; P305-L308 PolarHBondContact O-N 3.18Å; P305-V309 WeakPolarHBondContact O-CG2 3.42Å; P305-V309 PolarHBondContact O-N 3.33Å
306F98.5Very high96.4Very high139 Ų13978.8 Ų78.861%0.6145%0.446SS*.Hα-helixtrans-55.4-30.3175.6-167.9-109.3000113.6R304 L308 V309 T310R304-F306 PolarHBondContact O-N 2.99Å; F306-L308 VanDerWaalsContact C-N 3.27Å; F306-L308 PolarHBondContact O-N 3.06Å; F306-V309 PolarHBondContact O-N 2.81Å; F306-T310 HydrophobicContact CD1-CG2 3.89Å; F306-T310 HydrophobicContact CD2-CG2 3.96Å; F306-T310 HydrophobicContact CE1-CG2 3.48Å; F306-T310 VanDerWaalsContact CE1-CG2 3.48Å; F306-T310 HydrophobicContact CE2-CG2 3.55Å; F306-T310 HydrophobicContact CG-CG2 4.13Å; F306-T310 HydrophobicContact CZ-CG2 3.3Å; F306-T310 WeakPolarHBondContact O-CB 3.44Å; F306-T310 WeakPolarHBondContact O-CG2 3.36Å; F306-T310 PolarHBondContact O-N 2.79Å; F306-T310 PolarHBondContact O-OG1 3.39Å
307Q98.8Very high97Very high40 Ų4077.8 Ų77.819%0.18744%0.436CS..Hα-helixtrans-60-39.5175.2-64.2-63.2-1300111.5E280 T303 R304 P305 T310 R312E280-Q307 HydrophobicContact CG-CG 4.24Å; T303-Q307 WeakPolarHBondContact OG1-CG 3.22Å; R304-Q307 WeakPolarHBondContact O-CB 3.26Å; R304-Q307 WeakPolarHBondContact O-CG 3.43Å; R304-Q307 PolarHBondContact O-N 3.23Å; P305-Q307 PolarHBondContact O-N 3.27Å; P305-Q307 VanDerWaalsContact O-N 3.16Å; Q307-T310 PolarHBondContact O-OG1 3Å; Q307-R312 VanDerWaalsContact O-CB 3.26Å; Q307-R312 WeakPolarHBondContact O-CB 3.49Å; Q307-R312 WeakPolarHBondContact O-CG 3.42Å; Q307-R312 PolarHBondContact O-N 2.84Å
308L98.8Very high97.8Very high75 Ų7575.8 Ų75.839%0.39342%0.424SS..Hα-helixtrans-81.9-42.7178-56.4179.3000111.8L279 P305 F306 T310 G311 R312 W314L279-L308 HydrophobicContact CD1-CD2 4.26Å; L279-L308 HydrophobicContact CD2-CD2 4.14Å; P305-L308 PolarHBondContact O-N 3.18Å; F306-L308 VanDerWaalsContact C-N 3.27Å; F306-L308 PolarHBondContact O-N 3.06Å; L308-T310 PolarHBondContact O-N 2.99Å; L308-G311 PolarHBondContact O-N 3.31Å; L308-R312 WeakPolarHBondContact CD2-O 3.35Å; L308-W314 HydrophobicContact CD2-CB 4.33Å
309V98.7Very high98.3Very high116 Ų11672.3 Ų72.370%0.70339%0.387SS*.Hα-helixtrans-56.1-36176.3172.10000111.2P305 F306 G311P305-V309 WeakPolarHBondContact O-CG2 3.42Å; P305-V309 PolarHBondContact O-N 3.33Å; F306-V309 PolarHBondContact O-N 2.81Å; V309-G311 PolarHBondContact O-N 3.37Å
310T98.7Very high98.6Very high30 Ų3066.8 Ų66.818%0.18436%0.361CS..THydrogen-bonded Turntrans-83.918.6177.257.50000114.3K284 G285 F306 Q307 L308K284-T310 WeakPolarHBondContact CG-O 3.45Å; G285-T310 VanDerWaalsContact CA-O 3.3Å; G285-T310 WeakPolarHBondContact CA-O 3.31Å; G285-T310 PolarHBondContact N-O 3.36Å; F306-T310 HydrophobicContact CD1-CG2 3.89Å; F306-T310 HydrophobicContact CD2-CG2 3.96Å; F306-T310 HydrophobicContact CE1-CG2 3.48Å; F306-T310 VanDerWaalsContact CE1-CG2 3.48Å; F306-T310 HydrophobicContact CE2-CG2 3.55Å; F306-T310 HydrophobicContact CG-CG2 4.13Å; F306-T310 HydrophobicContact CZ-CG2 3.3Å; F306-T310 WeakPolarHBondContact O-CB 3.44Å; F306-T310 WeakPolarHBondContact O-CG2 3.36Å; F306-T310 PolarHBondContact O-N 2.79Å; F306-T310 PolarHBondContact O-OG1 3.39Å; Q307-T310 PolarHBondContact O-OG1 3Å; L308-T310 PolarHBondContact O-N 2.99Å
311G98.7Very high98.6Very high26 Ų2660.5 Ų60.527%0.26834%0.34SS..THydrogen-bonded Turntrans101.31.3163.700000116.3G285 L308 V309G285-G311 CarbonylContact C-O 3.56Å; G285-G311 WeakPolarHBondContact O-CA 3.38Å; L308-G311 PolarHBondContact O-N 3.31Å; V309-G311 PolarHBondContact O-N 3.37Å
312R98.9Very high98.7Very high22 Ų2258.4 Ų58.48%0.08333%0.327CS..  trans-74.2149.3171.6-61.7175.8175.976.8-2.2111.3L279 A282 G287 Q307 L308L279-R312 HydrophobicContact CD1-CB 3.94Å; L279-R312 VanDerWaalsContact O-CD 3.26Å; L279-R312 WeakPolarHBondContact O-CD 3.32Å; L279-R312 PolarHBondContact O-NE 2.85Å; A282-R312 HydrophobicContact CB-CG 4.47Å; A282-R312 PolarHBondContact O-NE 2.8Å; A282-R312 PolarHBondContact O-NH2 2.86Å; G287-R312 CarbonylContact O-C 3.57Å; G287-R312 VanDerWaalsContact O-CA 3.22Å; G287-R312 WeakPolarHBondContact O-CA 3.48Å; Q307-R312 VanDerWaalsContact O-CB 3.26Å; Q307-R312 WeakPolarHBondContact O-CB 3.49Å; Q307-R312 WeakPolarHBondContact O-CG 3.42Å; Q307-R312 PolarHBondContact O-N 2.84Å; L308-R312 WeakPolarHBondContact CD2-O 3.35Å
313T98.9Very high98.7Very high54 Ų5457.2 Ų57.233%0.33131%0.313SS..EExtended strand (participates in β ladder)trans-119130.1175.8-63.80000110.7G287 V288 S289 K315G287-T313 PolarHBondContact O-N 3.17Å; V288-T313 WeakPolarHBondContact CA-O 3.13Å; V288-T313 HydrophobicContact CG1-CG2 4.48Å; S289-T313 PolarHBondContact N-O 2.84Å; T313-K315 HydrophobicContact CG2-CD 3.89Å; T313-K315 VanDerWaalsContact CG2-CE 3.49Å; T313-K315 HydrophobicContact CG2-CG 3.9Å
314W98.8Very high98.6Very high56 Ų5655.5 Ų55.521%0.21230%0.303CS..EExtended strand (participates in β ladder)trans-106.9124173.5-148.3-6.5000110.2M275 L279 I301 T303 L308M275-W314 HydrophobicContact CB-CZ2 4.15Å; L279-W314 HydrophobicContact CB-CD2 4.33Å; L279-W314 HydrophobicContact CB-CZ2 4.23Å; L279-W314 HydrophobicContact CD1-CB 4.13Å; L279-W314 HydrophobicContact CD1-CD2 4.43Å; L279-W314 HydrophobicContact CD1-CG 4.15Å; L279-W314 HydrophobicContact CD2-CD2 3.69Å; L279-W314 HydrophobicContact CD2-CE3 3.44Å; L279-W314 VanDerWaalsContact CD2-CE3 3.44Å; L279-W314 HydrophobicContact CD2-CG 4.24Å; L279-W314 HydrophobicContact CD2-CH2 4.13Å; L279-W314 HydrophobicContact CD2-CZ2 4.4Å; L279-W314 HydrophobicContact CD2-CZ3 3.67Å; L279-W314 HydrophobicContact CG-CD2 4.37Å; I301-W314 HydrophobicContact CB-CH2 3.63Å; I301-W314 HydrophobicContact CB-CZ2 3.96Å; I301-W314 HydrophobicContact CB-CZ3 4.28Å; I301-W314 HydrophobicContact CD1-CD2 4.1Å; I301-W314 HydrophobicContact CD1-CE3 4.03Å; I301-W314 HydrophobicContact CD1-CH2 3.83Å; I301-W314 HydrophobicContact CD1-CZ2 3.8Å; I301-W314 HydrophobicContact CD1-CZ3 3.91Å; I301-W314 HydrophobicContact CG1-CH2 4.06Å; I301-W314 HydrophobicContact CG1-CZ2 4.39Å; I301-W314 HydrophobicContact CG1-CZ3 4.25Å; I301-W314 HydrophobicContact CG2-CH2 4.36Å; I301-W314 HydrophobicContact CG2-CZ2 4.22Å; T303-W314 HydrophobicContact CG2-CE3 4.38Å; T303-W314 HydrophobicContact CG2-CZ3 3.83Å; L308-W314 HydrophobicContact CD2-CB 4.33Å
315K98.6Very high98.6Very high104 Ų10447.4 Ų47.445%0.45227%0.274SS..EExtended strand (participates in β ladder)trans-134.8170.2179.7-74168.2177.9166.60110.1V288 S289 V290 V291 T313V288-K315 HydrophobicContact CG1-CD 4.36Å; S289-K315 PolarHBondContact O-N 2.81Å; V290-K315 WeakPolarHBondContact CA-O 3.3Å; V291-K315 PolarHBondContact N-O 3.35Å; T313-K315 HydrophobicContact CG2-CD 3.89Å; T313-K315 VanDerWaalsContact CG2-CE 3.49Å; T313-K315 HydrophobicContact CG2-CG 3.9Å
316G98.5Very high98.6Very high47 Ų4747 Ų4749%0.48526%0.263SS..EExtended strand (participates in β ladder)trans-132.9167.4169.800000111.2V291V291-G316 VanDerWaalsContact O-CA 3.26Å; V291-G316 WeakPolarHBondContact O-CA 3.48Å
317T98.7Very high98.6Very high24 Ų2440.9 Ų40.915%0.14724%0.238CC..  trans-131.2148.3174.9-162.80000111.5T178 A182 T186 V290 V291 V292 G320 G321T178-T317 HydrophobicContact CG2-CG2 4.47Å; A182-T317 HydrophobicContact CB-CG2 3.87Å; T186-T317 WeakPolarHBondContact OG1-CB 3.39Å; T186-T317 PolarHBondContact OG1-OG1 2.98Å; V290-T317 HydrophobicContact CG1-CG2 4.27Å; V291-T317 PolarHBondContact O-N 2.98Å; V292-T317 HydrophobicContact CB-CG2 4.25Å; V292-T317 HydrophobicContact CG1-CG2 3.85Å; V292-T317 HydrophobicContact CG2-CG2 3.99Å; T317-G320 VanDerWaalsContact OG1-CA 3.27Å; T317-G320 WeakPolarHBondContact OG1-CA 3.32Å; T317-G321 PolarHBondContact OG1-N 3.19Å
318A98.1Very high98.6Very high40 Ų4039 Ų3933%0.33123%0.229SC..SBendtrans-125123.1170.900000108N109 L110 G320 G321N109-A318 PolarHBondContact ND2-O 3.33Å; L110-A318 HydrophobicContact CD2-CB 3.72Å; A318-G320 PolarHBondContact O-N 3.39Å; A318-G320 VanDerWaalsContact O-N 3.1Å; A318-G321 PolarHBondContact O-N 3.2Å
319F98.6Very high98.6Very high3 Ų336.9 Ų36.91%0.01322%0.219CC..G310 helixtrans49.236-174.2-166.2-126.2000112.9Y93 V94 G173 G321 W322 V328Y93-F319 AromaticContact CE1-CD2 3.68Å; Y93-F319 HydrophobicContact CE1-CD2 3.68Å; Y93-F319 HydrophobicContact CE1-CE2 4.15Å; Y93-F319 HydrophobicContact CE1-CG 4.32Å; Y93-F319 AromaticContact CZ-CD2 3.82Å; Y93-F319 WeakPolarHBondContact OH-CB 3.14Å; Y93-F319 WeakPolarHBondContact OH-CD2 3.38Å; V94-F319 HydrophobicContact CB-CB 4.45Å; V94-F319 HydrophobicContact CB-CD1 4.4Å; V94-F319 HydrophobicContact CG2-CB 3.7Å; V94-F319 HydrophobicContact CG2-CD1 4.49Å; V94-F319 HydrophobicContact CG2-CG 4.23Å; G173-F319 VanDerWaalsContact O-CE2 3.26Å; G173-F319 WeakPolarHBondContact O-CE2 2.98Å; F319-G321 PolarHBondContact O-N 3.1Å; F319-G321 VanDerWaalsContact O-N 3.08Å; F319-W322 HydrophobicContact CD1-CB 3.92Å; F319-W322 HydrophobicContact CE1-CB 4.03Å; F319-W322 PolarHBondContact O-N 3.41Å; F319-W322 VanDerWaalsContact O-N 3.15Å; F319-V328 HydrophobicContact CE1-CG2 3.76Å; F319-V328 HydrophobicContact CZ-CG2 3.6Å
320G98.6Very high98.7Very high0 Ų037.3 Ų37.30%021%0.212CC..G310 helixtrans63.416.7179.900000114.7T178 G181 N185 T317 A318 W322T178-G320 WeakPolarHBondContact O-CA 3.43Å; G181-G320 CarbonylContact C-O 3.54Å; G181-G320 VanDerWaalsContact C-O 3.23Å; G181-G320 VanDerWaalsContact CA-O 3.23Å; G181-G320 WeakPolarHBondContact CA-O 3.32Å; N185-G320 WeakPolarHBondContact CB-O 3.23Å; N185-G320 PolarHBondContact ND2-O 2.78Å; T317-G320 VanDerWaalsContact OG1-CA 3.27Å; T317-G320 WeakPolarHBondContact OG1-CA 3.32Å; A318-G320 PolarHBondContact O-N 3.39Å; A318-G320 VanDerWaalsContact O-N 3.1Å; G320-W322 PolarHBondContact O-N 3.48Å
321G98.5Very high98.7Very high29 Ų2936 Ų3630%0.29920%0.204SC..G310 helixtrans73.29.6-17600000114.7T317 A318 F319T317-G321 PolarHBondContact OG1-N 3.19Å; A318-G321 PolarHBondContact O-N 3.2Å; F319-G321 PolarHBondContact O-N 3.1Å; F319-G321 VanDerWaalsContact O-N 3.08Å
322W98.8Very high98.7Very high37 Ų3734.8 Ų34.814%0.1419%0.191CC..  trans-73.3128.7179.8-62.3117.3000111.7N109 S177 Y180 V184 N185 F319 G320 S324 L331N109-W322 WeakPolarHBondContact CB-O 3.17Å; N109-W322 PolarHBondContact ND2-N 3.13Å; N109-W322 PolarHBondContact ND2-O 3.44Å; S177-W322 PolarHBondContact O-NE1 2.95Å; Y180-W322 HydrophobicContact CD1-CH2 4.46Å; Y180-W322 AromaticContact CD1-CZ2 3.63Å; Y180-W322 HydrophobicContact CD1-CZ2 3.63Å; Y180-W322 HydrophobicContact CE1-CH2 4.26Å; Y180-W322 AromaticContact CE1-CZ2 3.87Å; Y180-W322 HydrophobicContact CE1-CZ2 3.87Å; V184-W322 HydrophobicContact CG2-CH2 3.77Å; V184-W322 HydrophobicContact CG2-CZ2 3.73Å; N185-W322 WeakPolarHBondContact ND2-CH2 3.34Å; N185-W322 WeakPolarHBondContact ND2-CZ2 3.33Å; N185-W322 WeakPolarHBondContact ND2-CZ3 3.38Å; F319-W322 HydrophobicContact CD1-CB 3.92Å; F319-W322 HydrophobicContact CE1-CB 4.03Å; F319-W322 PolarHBondContact O-N 3.41Å; F319-W322 VanDerWaalsContact O-N 3.15Å; G320-W322 PolarHBondContact O-N 3.48Å; W322-S324 PolarHBondContact O-N 3.44Å; W322-S324 VanDerWaalsContact O-N 3.12Å; W322-L331 HydrophobicContact CD2-CD1 4.4Å; W322-L331 HydrophobicContact CG-CD1 4.42Å; W322-L331 HydrophobicContact CH2-CD2 4.33Å; W322-L331 HydrophobicContact CZ2-CD2 4Å
323K98.8Very high98.7Very high41 Ų4136.9 Ų36.918%0.17821%0.209CC..  trans-70104.5161-72.3-166.6-179-177.70107.6Q96 C103 N105 N109 E326 S327Q96-K323 PolarHBondContact OE1-O 3.31Å; C103-K323 PolarHBondContact O-NZ 3.04Å; N105-K323 PolarHBondContact O-NZ 3.26Å; N109-K323 HydrophobicContact CB-CG 4.35Å; K323-E326 HydrophobicContact CB-CG 3.63Å; K323-E326 WeakPolarHBondContact O-CG 3.3Å; K323-E326 PolarHBondContact O-N 2.95Å; K323-S327 WeakPolarHBondContact O-CB 3.47Å; K323-S327 PolarHBondContact O-N 3.46Å; K323-S327 PolarHBondContact O-OG 2.89Å
324S98.2Very high98.6Very high1 Ų136.2 Ų36.21%0.00720%0.202CC..Hα-helixtrans-58.6-57.1-157550000114V94 W322 E326 S327 V328V94-S324 WeakPolarHBondContact O-CB 3.47Å; V94-S324 PolarHBondContact O-OG 2.77Å; W322-S324 PolarHBondContact O-N 3.44Å; W322-S324 VanDerWaalsContact O-N 3.12Å; S324-E326 VanDerWaalsContact C-N 3.29Å; S324-E326 PolarHBondContact O-N 3.08Å; S324-S327 PolarHBondContact O-N 3.04Å; S324-V328 WeakPolarHBondContact O-CB 3.44Å; S324-V328 WeakPolarHBondContact O-CG2 3.38Å; S324-V328 PolarHBondContact O-N 2.75Å
325V98.7Very high98.6Very high13 Ų1334.9 Ų34.98%0.07920%0.197CC..Hα-helixtrans-62.3-35-174.4-177.70000112.2L92 Q96 I155 V157 P329L92-V325 HydrophobicContact CD1-CB 4.44Å; L92-V325 HydrophobicContact CD1-CG2 3.71Å; Q96-V325 HydrophobicContact CB-CB 3.97Å; Q96-V325 HydrophobicContact CB-CG2 3.7Å; I155-V325 WeakPolarHBondContact O-CG2 3.29Å; V157-V325 WeakPolarHBondContact O-CG1 3.4Å; V325-P329 VanDerWaalsContact O-CD 3.26Å; V325-P329 WeakPolarHBondContact O-CD 3.08Å; V325-P329 WeakPolarHBondContact O-CG 3.35Å
326E98.3Very high98.6Very high90 Ų9033.5 Ų33.542%0.42119%0.193SC..Hα-helixtrans-86.6-23.6177.971.9-175.8-143.200114.4Q96 K323 S324 K330Q96-E326 PolarHBondContact NE2-OE2 3.35Å; K323-E326 HydrophobicContact CB-CG 3.63Å; K323-E326 WeakPolarHBondContact O-CG 3.3Å; K323-E326 PolarHBondContact O-N 2.95Å; S324-E326 VanDerWaalsContact C-N 3.29Å; S324-E326 PolarHBondContact O-N 3.08Å; E326-K330 WeakPolarHBondContact O-CD 3.27Å; E326-K330 VanDerWaalsContact O-CE 3.28Å; E326-K330 WeakPolarHBondContact O-CE 3.26Å
327S98.8Very high98.6Very high11 Ų1135.1 Ų35.18%0.07720%0.197CC..Hα-helixtrans-99.4-38.1-171.8-540000113K323 S324 P329 K330 L331K323-S327 WeakPolarHBondContact O-CB 3.47Å; K323-S327 PolarHBondContact O-N 3.46Å; K323-S327 PolarHBondContact O-OG 2.89Å; S324-S327 PolarHBondContact O-N 3.04Å; S327-P329 VanDerWaalsContact C-N 3.35Å; S327-K330 WeakPolarHBondContact O-CA 3.32Å; S327-K330 VanDerWaalsContact O-CB 3.31Å; S327-K330 WeakPolarHBondContact O-CB 3.41Å; S327-K330 PolarHBondContact O-N 3.33Å; S327-L331 PolarHBondContact O-N 3.5Å
328V98.9Very high98.6Very high0 Ų043.1 Ų43.10%023%0.23CC..Hα-helixtrans-57.9-41179.9170.80000112.5I90 L92 A158 I160 F319 S324 K330 L331 V332I90-V328 HydrophobicContact CB-CG1 4.29Å; I90-V328 HydrophobicContact CD1-CG1 3.78Å; I90-V328 HydrophobicContact CG2-CG1 4.33Å; L92-V328 HydrophobicContact CD2-CB 4.35Å; L92-V328 HydrophobicContact CD2-CG1 4.45Å; L92-V328 HydrophobicContact CD2-CG2 3.77Å; A158-V328 HydrophobicContact CB-CB 3.89Å; A158-V328 HydrophobicContact CB-CG1 3.9Å; I160-V328 HydrophobicContact CG2-CG1 4.49Å; F319-V328 HydrophobicContact CE1-CG2 3.76Å; F319-V328 HydrophobicContact CZ-CG2 3.6Å; S324-V328 WeakPolarHBondContact O-CB 3.44Å; S324-V328 WeakPolarHBondContact O-CG2 3.38Å; S324-V328 PolarHBondContact O-N 2.75Å; V328-K330 VanDerWaalsContact C-N 3.26Å; V328-K330 PolarHBondContact O-N 2.88Å; V328-L331 WeakPolarHBondContact O-CB 3.43Å; V328-L331 PolarHBondContact O-N 3.28Å; V328-L331 VanDerWaalsContact O-N 3.13Å; V328-V332 PolarHBondContact O-N 2.92Å
329P98.9Very high98.5Very high30 Ų3046.2 Ų46.220%0.19524%0.236CC..Hα-helixtrans-62.9-31.7174.1-23.436.1000113.4A158 K159 I160 V325 S327 V332 S333A158-P329 HydrophobicContact CB-CG 4.25Å; K159-P329 WeakPolarHBondContact O-CB 3.44Å; K159-P329 WeakPolarHBondContact O-CG 3.31Å; I160-P329 HydrophobicContact CG2-CB 4.5Å; I160-P329 HydrophobicContact CG2-CG 4.39Å; V325-P329 VanDerWaalsContact O-CD 3.26Å; V325-P329 WeakPolarHBondContact O-CD 3.08Å; V325-P329 WeakPolarHBondContact O-CG 3.35Å; S327-P329 VanDerWaalsContact C-N 3.35Å; P329-V332 PolarHBondContact O-N 3.39Å; P329-S333 PolarHBondContact O-N 3.3Å; P329-S333 PolarHBondContact O-OG 3.07Å
330K98.8Very high98.5Very high125 Ų12546.3 Ų46.354%0.54324%0.237SC..Hα-helixtrans-70.1-40.4174-59174.2-175.2169.90110.8E326 S327 V328 V332 S333 E334E326-K330 WeakPolarHBondContact O-CD 3.27Å; E326-K330 VanDerWaalsContact O-CE 3.28Å; E326-K330 WeakPolarHBondContact O-CE 3.26Å; S327-K330 WeakPolarHBondContact O-CA 3.32Å; S327-K330 VanDerWaalsContact O-CB 3.31Å; S327-K330 WeakPolarHBondContact O-CB 3.41Å; S327-K330 PolarHBondContact O-N 3.33Å; V328-K330 VanDerWaalsContact C-N 3.26Å; V328-K330 PolarHBondContact O-N 2.88Å; K330-V332 VanDerWaalsContact C-N 3.33Å; K330-V332 PolarHBondContact O-N 3.5Å; K330-S333 CarbonylContact O-C 3.58Å; K330-S333 WeakPolarHBondContact O-CA 3.35Å; K330-S333 WeakPolarHBondContact O-CB 3.38Å; K330-S333 PolarHBondContact O-N 3.41Å; K330-S333 VanDerWaalsContact O-N 3.08Å; K330-E334 WeakPolarHBondContact O-CG 3.4Å; K330-E334 PolarHBondContact O-N 3.16Å
331L98.9Very high98.5Very high4 Ų449.6 Ų49.62%0.02125%0.251CS..Hα-helixtrans-62.1-40.3174-63.3177.2000111.7L172 S177 Y180 W322 S327 V328 S333 E334 Y335 I340L172-L331 HydrophobicContact CD1-CB 4.33Å; L172-L331 HydrophobicContact CD2-CB 4.48Å; S177-L331 VanDerWaalsContact OG-CD1 3.28Å; S177-L331 WeakPolarHBondContact OG-CD1 3.46Å; Y180-L331 HydrophobicContact CD1-CD2 3.68Å; Y180-L331 HydrophobicContact CE1-CD2 3.64Å; W322-L331 HydrophobicContact CD2-CD1 4.4Å; W322-L331 HydrophobicContact CG-CD1 4.42Å; W322-L331 HydrophobicContact CH2-CD2 4.33Å; W322-L331 HydrophobicContact CZ2-CD2 4Å; S327-L331 PolarHBondContact O-N 3.5Å; V328-L331 WeakPolarHBondContact O-CB 3.43Å; V328-L331 PolarHBondContact O-N 3.28Å; V328-L331 VanDerWaalsContact O-N 3.13Å; L331-S333 VanDerWaalsContact C-N 3.31Å; L331-S333 PolarHBondContact O-N 3.44Å; L331-E334 PolarHBondContact O-N 2.86Å; L331-Y335 PolarHBondContact O-N 3.41Å; L331-I340 HydrophobicContact CB-CD1 4.38Å; L331-I340 HydrophobicContact CD2-CD1 4.48Å; L331-I340 WeakPolarHBondContact O-CD1 3.33Å
332V98.8Very high98.5Very high0 Ų048.2 Ų48.20%024%0.237CC..Hα-helixtrans-58.9-45170.8172.20000110.4I90 I160 D161 A164 V169 L172 V328 P329 K330 E334 Y335 M336I90-V332 HydrophobicContact CD1-CG2 4.11Å; I160-V332 HydrophobicContact CB-CB 4.44Å; I160-V332 HydrophobicContact CB-CG1 4.35Å; I160-V332 HydrophobicContact CB-CG2 4.06Å; I160-V332 HydrophobicContact CD1-CG2 4.19Å; I160-V332 HydrophobicContact CG2-CG2 3.83Å; D161-V332 HydrophobicContact CB-CG1 4.16Å; A164-V332 HydrophobicContact CB-CG1 3.68Å; V169-V332 HydrophobicContact CB-CG2 4.27Å; V169-V332 HydrophobicContact CG1-CG1 4.38Å; V169-V332 HydrophobicContact CG1-CG2 4.24Å; L172-V332 HydrophobicContact CD1-CB 4.4Å; L172-V332 HydrophobicContact CD1-CG2 3.65Å; V328-V332 PolarHBondContact O-N 2.92Å; P329-V332 PolarHBondContact O-N 3.39Å; K330-V332 VanDerWaalsContact C-N 3.33Å; K330-V332 PolarHBondContact O-N 3.5Å; V332-E334 VanDerWaalsContact C-N 3.35Å; V332-E334 PolarHBondContact O-N 3.24Å; V332-Y335 WeakPolarHBondContact O-CB 3.46Å; V332-Y335 PolarHBondContact O-N 3.13Å; V332-M336 HydrophobicContact CG1-CG 4.23Å; V332-M336 VanDerWaalsContact O-CG 3.26Å; V332-M336 WeakPolarHBondContact O-CG 3.42Å; V332-M336 PolarHBondContact O-N 3.13Å
333S98.8Very high98.5Very high65 Ų6549.8 Ų49.846%0.45525%0.248SC..Hα-helixtrans-61.9-41.4177-53.70000112.1P329 K330 L331 Y335 M336 S337P329-S333 PolarHBondContact O-N 3.3Å; P329-S333 PolarHBondContact O-OG 3.07Å; K330-S333 CarbonylContact O-C 3.58Å; K330-S333 WeakPolarHBondContact O-CA 3.35Å; K330-S333 WeakPolarHBondContact O-CB 3.38Å; K330-S333 PolarHBondContact O-N 3.41Å; K330-S333 VanDerWaalsContact O-N 3.08Å; L331-S333 VanDerWaalsContact C-N 3.31Å; L331-S333 PolarHBondContact O-N 3.44Å; S333-Y335 VanDerWaalsContact C-N 3.33Å; S333-Y335 PolarHBondContact O-N 2.8Å; S333-M336 PolarHBondContact O-N 2.86Å; S333-S337 WeakPolarHBondContact O-CB 3.46Å; S333-S337 PolarHBondContact O-N 2.7Å; S333-S337 PolarHBondContact O-OG 3.1Å
334E98.6Very high98.4Very high41 Ų4151.2 Ų51.219%0.19226%0.255CS..Hα-helixtrans-61.5-41.7174.9-69.3-162.7166.400111.4Y180 K330 L331 V332 S337 K338 K339 I340Y180-E334 WeakPolarHBondContact CE1-OE2 3.44Å; Y180-E334 PolarHBondContact OH-OE2 3.49Å; K330-E334 WeakPolarHBondContact O-CG 3.4Å; K330-E334 PolarHBondContact O-N 3.16Å; L331-E334 PolarHBondContact O-N 2.86Å; V332-E334 VanDerWaalsContact C-N 3.35Å; V332-E334 PolarHBondContact O-N 3.24Å; E334-S337 WeakPolarHBondContact CA-OG 3.13Å; E334-S337 CarbonylContact O-C 3.47Å; E334-S337 PolarHBondContact O-N 3.16Å; E334-S337 PolarHBondContact O-OG 2.97Å; E334-K338 PolarHBondContact O-N 3.39Å; E334-K339 HydrophobicContact CB-CB 4.18Å; E334-K339 HydrophobicContact CB-CD 4.32Å; E334-K339 HydrophobicContact CG-CD 3.97Å; E334-K339 WeakPolarHBondContact O-CB 3.4Å; E334-K339 PolarHBondContact O-N 3.36Å; E334-K339 IonicContact OE1-NZ 3.06Å; E334-K339 PolarHBondContact OE1-NZ 3.35Å; E334-K339 IonicContact OE2-NZ 3.29Å; E334-I340 HydrophobicContact CB-CD1 4.21Å; E334-I340 HydrophobicContact CB-CG1 4.01Å; E334-I340 HydrophobicContact CB-CG2 4.33Å
335Y98.8Very high98.4Very high28 Ų2851.2 Ų51.211%0.1126%0.255CS..Hα-helixtrans-62.8-49.1174.3163.3-113.1000111.9P165 K168 V169 L331 V332 S333 S337 K338 V342 D343P165-Y335 HydrophobicContact CG-CE1 3.8Å; P165-Y335 WeakPolarHBondContact CG-OH 3.16Å; K168-Y335 HydrophobicContact CB-CE1 4.41Å; V169-Y335 HydrophobicContact CG1-CD1 3.64Å; V169-Y335 HydrophobicContact CG1-CE1 3.75Å; L331-Y335 PolarHBondContact O-N 3.41Å; V332-Y335 WeakPolarHBondContact O-CB 3.46Å; V332-Y335 PolarHBondContact O-N 3.13Å; S333-Y335 VanDerWaalsContact C-N 3.33Å; S333-Y335 PolarHBondContact O-N 2.8Å; Y335-S337 PolarHBondContact O-N 2.89Å; Y335-K338 WeakPolarHBondContact O-CA 3.36Å; Y335-K338 PolarHBondContact O-N 2.69Å; Y335-V342 HydrophobicContact CD1-CG2 4.48Å; Y335-V342 HydrophobicContact CD2-CB 3.58Å; Y335-V342 HydrophobicContact CD2-CG2 3.37Å; Y335-V342 HydrophobicContact CE2-CB 3.62Å; Y335-V342 HydrophobicContact CE2-CG2 3.98Å; Y335-V342 HydrophobicContact CG-CB 4.21Å; Y335-V342 HydrophobicContact CG-CG2 3.65Å; Y335-D343 WeakPolarHBondContact CE2-OD1 3.34Å; Y335-D343 VanDerWaalsContact CZ-OD1 3.25Å; Y335-D343 PolarHBondContact OH-OD1 2.93Å
336M98.6Very high98.4Very high74 Ų7451.6 Ų51.637%0.36526%0.257SS..Hα-helixtrans-61.1-32.5178.8-65-60-75.300112A164 V332 S333 K338A164-M336 HydrophobicContact CB-SD 4.09Å; V332-M336 HydrophobicContact CG1-CG 4.23Å; V332-M336 VanDerWaalsContact O-CG 3.26Å; V332-M336 WeakPolarHBondContact O-CG 3.42Å; V332-M336 PolarHBondContact O-N 3.13Å; S333-M336 PolarHBondContact O-N 2.86Å; M336-K338 VanDerWaalsContact C-N 3.26Å; M336-K338 PolarHBondContact O-N 2.89Å
337S98.3Very high98.2Very high82 Ų8250 Ų5057%0.57325%0.254SS*.THydrogen-bonded Turntrans-813173.472.80000114.7S333 E334 Y335 K339S333-S337 WeakPolarHBondContact O-CB 3.46Å; S333-S337 PolarHBondContact O-N 2.7Å; S333-S337 PolarHBondContact O-OG 3.1Å; E334-S337 WeakPolarHBondContact CA-OG 3.13Å; E334-S337 CarbonylContact O-C 3.47Å; E334-S337 PolarHBondContact O-N 3.16Å; E334-S337 PolarHBondContact O-OG 2.97Å; Y335-S337 PolarHBondContact O-N 2.89Å; S337-K339 PolarHBondContact O-N 3.26Å
338K97.8Very high98.1Very high192 Ų19251.7 Ų51.784%0.83526%0.262SS*.THydrogen-bonded Turntrans61.421.2-176.9-53-179.2178.9-179.40114.8E334 Y335 M336E334-K338 PolarHBondContact O-N 3.39Å; Y335-K338 WeakPolarHBondContact O-CA 3.36Å; Y335-K338 PolarHBondContact O-N 2.69Å; M336-K338 VanDerWaalsContact C-N 3.26Å; M336-K338 PolarHBondContact O-N 2.89Å
339K96.9Very high98.1Very high104 Ų10456.4 Ų56.445%0.45229%0.287SS..SBendtrans-73.6-37.5174.5179.1179.8169.8-167.50111.7E334 S337E334-K339 HydrophobicContact CB-CB 4.18Å; E334-K339 HydrophobicContact CB-CD 4.32Å; E334-K339 HydrophobicContact CG-CD 3.97Å; E334-K339 WeakPolarHBondContact O-CB 3.4Å; E334-K339 PolarHBondContact O-N 3.36Å; E334-K339 IonicContact OE1-NZ 3.06Å; E334-K339 PolarHBondContact OE1-NZ 3.35Å; E334-K339 IonicContact OE2-NZ 3.29Å; S337-K339 PolarHBondContact O-N 3.26Å
340I98.1Very high98.1Very high6 Ų656 Ų563%0.03128%0.284CS..SBendtrans-119.5151.3175.465.6172.3000110.9L172 Y180 M209 L331 E334L172-I340 HydrophobicContact CD2-CD1 4.22Å; Y180-I340 HydrophobicContact CE1-CG2 4.08Å; Y180-I340 HydrophobicContact CE2-CG2 4.05Å; M209-I340 HydrophobicContact CE-CB 4.03Å; M209-I340 HydrophobicContact CE-CG2 4.32Å; M209-I340 HydrophobicContact SD-CB 3.99Å; L331-I340 HydrophobicContact CB-CD1 4.38Å; L331-I340 HydrophobicContact CD2-CD1 4.48Å; L331-I340 WeakPolarHBondContact O-CD1 3.33Å; E334-I340 HydrophobicContact CB-CD1 4.21Å; E334-I340 HydrophobicContact CB-CG1 4.01Å; E334-I340 HydrophobicContact CB-CG2 4.33Å
341K98.4Very high98Very high68 Ų6852.7 Ų52.730%0.29628%0.276SS..  trans-85144175.5-64.8-176.3175.7-167.10110.1M209 E234 F235 E344 F345M209-K341 HydrophobicContact SD-CB 3.74Å; M209-K341 HydrophobicContact SD-CG 4.3Å; M209-K341 PolarHBondContact SD-N 3.46Å; E234-K341 PolarHBondContact O-NZ 3.49Å; F235-K341 HydrophobicContact CD1-CD 4.12Å; F235-K341 HydrophobicContact CE1-CB 4.04Å; F235-K341 HydrophobicContact CE1-CD 3.96Å; K341-E344 VanDerWaalsContact CB-OE2 3.28Å; K341-E344 WeakPolarHBondContact CB-OE2 3.13Å; K341-E344 HydrophobicContact CD-CG 4.37Å; K341-E344 WeakPolarHBondContact CD-OE1 3.31Å; K341-E344 WeakPolarHBondContact CG-OE1 3.46Å; K341-F345 HydrophobicContact CB-CE2 4.33Å; K341-F345 WeakPolarHBondContact O-CE2 3.42Å
342V98.6Very high98Very high0 Ų052.7 Ų52.70%028%0.276CS..  trans-140.1-45.5171.5-179.30000109.2K168 L171 L172 Y335 E344 F345K168-V342 HydrophobicContact CB-CG1 4.04Å; K168-V342 WeakPolarHBondContact O-CG1 3.15Å; L171-V342 HydrophobicContact CB-CG1 4.3Å; L171-V342 HydrophobicContact CD1-CG1 4.29Å; L172-V342 HydrophobicContact CD1-CG2 4.48Å; L172-V342 HydrophobicContact CD2-CG2 3.96Å; L172-V342 HydrophobicContact CG-CG2 4.31Å; Y335-V342 HydrophobicContact CD1-CG2 4.48Å; Y335-V342 HydrophobicContact CD2-CB 3.58Å; Y335-V342 HydrophobicContact CD2-CG2 3.37Å; Y335-V342 HydrophobicContact CE2-CB 3.62Å; Y335-V342 HydrophobicContact CE2-CG2 3.98Å; Y335-V342 HydrophobicContact CG-CB 4.21Å; Y335-V342 HydrophobicContact CG-CG2 3.65Å; V342-E344 VanDerWaalsContact C-N 3.28Å; V342-E344 PolarHBondContact O-N 2.74Å; V342-F345 WeakPolarHBondContact O-CB 3.5Å; V342-F345 PolarHBondContact O-N 2.75Å; V342-F345 VanDerWaalsContact O-N 3.12Å
343D98.3Very high98Very high71 Ų7156.9 Ų56.938%0.3830%0.298SS..G310 helixtrans-54.8-42.6179.5-65.423000112.4Y335 F345 V346Y335-D343 WeakPolarHBondContact CE2-OD1 3.34Å; Y335-D343 VanDerWaalsContact CZ-OD1 3.25Å; Y335-D343 PolarHBondContact OH-OD1 2.93Å; D343-F345 PolarHBondContact O-N 3.35Å; D343-F345 VanDerWaalsContact O-N 3.15Å; D343-V346 WeakPolarHBondContact O-CB 2.88Å; D343-V346 PolarHBondContact O-N 2.86Å
344E97.8Very high98Very high71 Ų7157.4 Ų57.433%0.33229%0.293SS..G310 helixtrans-69.1-12.7-176-6195.3139.900114K231 F235 K341 V342K231-E344 WeakPolarHBondContact CE-O 3.19Å; F235-E344 HydrophobicContact CE1-CB 4.48Å; F235-E344 HydrophobicContact CE2-CB 4.01Å; F235-E344 HydrophobicContact CZ-CB 3.63Å; K341-E344 VanDerWaalsContact CB-OE2 3.28Å; K341-E344 WeakPolarHBondContact CB-OE2 3.13Å; K341-E344 HydrophobicContact CD-CG 4.37Å; K341-E344 WeakPolarHBondContact CD-OE1 3.31Å; K341-E344 WeakPolarHBondContact CG-OE1 3.46Å; V342-E344 VanDerWaalsContact C-N 3.28Å; V342-E344 PolarHBondContact O-N 2.74Å
345F97.8Very high98Very high0 Ų055.5 Ų55.50%028%0.284CS..G310 helixtrans-79.4-25.5170.8-68.3-87.3000112.2L171 V176 G202 L205 A206 M209 F235 K341 V342 D343 T347 I368 R369L171-F345 HydrophobicContact CD1-CB 3.78Å; V176-F345 HydrophobicContact CG1-CE2 3.97Å; V176-F345 HydrophobicContact CG1-CZ 4.33Å; V176-F345 HydrophobicContact CG2-CD1 4.15Å; V176-F345 HydrophobicContact CG2-CD2 3.77Å; V176-F345 HydrophobicContact CG2-CE1 4.27Å; V176-F345 HydrophobicContact CG2-CE2 3.87Å; V176-F345 HydrophobicContact CG2-CG 3.9Å; V176-F345 HydrophobicContact CG2-CZ 4.13Å; G202-F345 WeakPolarHBondContact O-CE1 3.23Å; L205-F345 HydrophobicContact CB-CD1 4.44Å; L205-F345 HydrophobicContact CB-CE1 3.7Å; L205-F345 HydrophobicContact CB-CZ 4.45Å; A206-F345 HydrophobicContact CB-CE1 3.98Å; A206-F345 HydrophobicContact CB-CZ 3.73Å; M209-F345 HydrophobicContact SD-CE2 4.44Å; F235-F345 HydrophobicContact CD1-CE2 4.41Å; F235-F345 HydrophobicContact CD1-CZ 4.02Å; F235-F345 HydrophobicContact CE1-CD1 4.33Å; F235-F345 AromaticContact CE1-CD2 3.91Å; F235-F345 HydrophobicContact CE1-CD2 3.91Å; F235-F345 AromaticContact CE1-CE1 3.79Å; F235-F345 HydrophobicContact CE1-CE1 3.79Å; F235-F345 AromaticContact CE1-CE2 3.34Å; F235-F345 HydrophobicContact CE1-CE2 3.34Å; F235-F345 HydrophobicContact CE1-CG 4.38Å; F235-F345 AromaticContact CE1-CZ 3.26Å; F235-F345 HydrophobicContact CE1-CZ 3.26Å; F235-F345 HydrophobicContact CZ-CD1 4.05Å; F235-F345 AromaticContact CZ-CD2 3.88Å; F235-F345 HydrophobicContact CZ-CD2 3.88Å; F235-F345 AromaticContact CZ-CE1 3.95Å; F235-F345 HydrophobicContact CZ-CE1 3.95Å; F235-F345 AromaticContact CZ-CE2 3.81Å; F235-F345 HydrophobicContact CZ-CE2 3.81Å; F235-F345 HydrophobicContact CZ-CG 4.02Å; F235-F345 AromaticContact CZ-CZ 3.83Å; F235-F345 HydrophobicContact CZ-CZ 3.83Å; K341-F345 HydrophobicContact CB-CE2 4.33Å; K341-F345 WeakPolarHBondContact O-CE2 3.42Å; V342-F345 WeakPolarHBondContact O-CB 3.5Å; V342-F345 PolarHBondContact O-N 2.75Å; V342-F345 VanDerWaalsContact O-N 3.12Å; D343-F345 PolarHBondContact O-N 3.35Å; D343-F345 VanDerWaalsContact O-N 3.15Å; F345-T347 PolarHBondContact O-N 2.72Å; F345-I368 HydrophobicContact CB-CG2 4.35Å; F345-I368 HydrophobicContact CD1-CG2 4.03Å; F345-I368 WeakPolarHBondContact O-CB 3.43Å; F345-I368 WeakPolarHBondContact O-CG2 3.41Å; F345-R369 HydrophobicContact CB-CG 4.36Å; F345-R369 WeakPolarHBondContact O-CB 3.47Å; F345-R369 PolarHBondContact O-N 3.31Å; F345-R369 VanDerWaalsContact O-N 3.11Å
346V97.6Very high97.9Very high21 Ų2156.4 Ų56.413%0.12729%0.291CS..EExtended strand (participates in β ladder)trans-78.6104.4-178.6-174.50000108.9K168 L171 D343 V371K168-V346 HydrophobicContact CD-CG2 4.24Å; L171-V346 HydrophobicContact CD1-CG2 3.74Å; D343-V346 WeakPolarHBondContact O-CB 2.88Å; D343-V346 PolarHBondContact O-N 2.86Å; V346-V371 HydrophobicContact CG1-CB 4.32Å; V346-V371 HydrophobicContact CG1-CG2 3.89Å; V346-V371 HydrophobicContact CG2-CG2 3.86Å
347T95.7Very high97.9Very high58 Ų5858 Ų5836%0.35630%0.296SS..EExtended strand (participates in β ladder)trans-92.1-27.917653.30000112.1F345 S367 I368 R369F345-T347 PolarHBondContact O-N 2.72Å; T347-S367 WeakPolarHBondContact OG1-CA 3.19Å; T347-S367 WeakPolarHBondContact OG1-CB 3.26Å; T347-I368 HydrophobicContact CG2-CB 3.82Å; T347-I368 HydrophobicContact CG2-CD1 3.9Å; T347-I368 HydrophobicContact CG2-CG1 3.96Å; T347-I368 PolarHBondContact OG1-N 3.32Å; T347-R369 PolarHBondContact N-O 2.97Å; T347-R369 PolarHBondContact OG1-O 3.08Å
348D96.8Very high97.9Very high46 Ų4654.1 Ų54.125%0.24627%0.269CS..EExtended strand (participates in β ladder)trans-139.7140.8-172.7-61.4-94.9000110.3L361 S367 R369 T370 V371D348-L361 HydrophobicContact CB-CD1 4.22Å; D348-S367 VanDerWaalsContact OD2-CB 3.32Å; D348-S367 WeakPolarHBondContact OD2-CB 3.38Å; D348-R369 PolarHBondContact N-O 3.28Å; D348-T370 HydrophobicContact CB-CG2 3.87Å; D348-T370 WeakPolarHBondContact O-CA 3.44Å; D348-V371 PolarHBondContact O-N 3.25Å
349N97.9Very high97.8Very high98 Ų9845.3 Ų45.352%0.52423%0.231SC..EExtended strand (participates in β ladder)trans-122.3123.6169.9-68.1-90.7000107.9V371N349-V371 WeakPolarHBondContact CA-O 3.39Å
350L98.2Very high97.7Very high23 Ų2345.2 Ų45.212%0.1224%0.235CC..EExtended strand (participates in β ladder)trans-127.1160.4-179.2-65.3-177.9000110.3Q354 K357 A358 L361 T370 V371 L372 K373L350-Q354 HydrophobicContact CB-CB 4.14Å; L350-Q354 HydrophobicContact CD1-CB 4.24Å; L350-K357 HydrophobicContact CD1-CB 4.26Å; L350-K357 HydrophobicContact CD1-CD 4.2Å; L350-K357 HydrophobicContact CD1-CG 4.15Å; L350-K357 HydrophobicContact CD2-CD 4.46Å; L350-A358 HydrophobicContact CD1-CB 4.11Å; L350-L361 HydrophobicContact CD1-CD1 4.07Å; L350-T370 HydrophobicContact CB-CG2 4.36Å; L350-T370 HydrophobicContact CD1-CG2 3.78Å; L350-T370 HydrophobicContact CG-CG2 3.92Å; L350-V371 PolarHBondContact N-O 2.68Å; L350-L372 HydrophobicContact CB-CD2 3.79Å; L350-L372 WeakPolarHBondContact O-CA 3.33Å; L350-K373 PolarHBondContact O-N 2.59Å; L350-K373 VanDerWaalsContact O-N 3.07Å
351S98.1Very high97.6Very high54 Ų5446.4 Ų46.438%0.37824%0.242SC..EExtended strand (participates in β ladder)trans-74.7155.1166.967.10000110.2D353 Q354 L372S351-D353 PolarHBondContact O-N 2.61Å; S351-Q354 WeakPolarHBondContact O-CB 3.5Å; S351-Q354 PolarHBondContact O-N 3.43Å; S351-Q354 PolarHBondContact OG-OE1 3.46Å; S351-L372 VanDerWaalsContact O-CD2 3.27Å; S351-L372 WeakPolarHBondContact O-CD2 3.39Å
352F98.3Very high97.3Very high5 Ų545 Ų452%0.02224%0.236CC..G310 helixtrans-57.3-32179.6-172.3-122.6000113.8K9 A11 I22 T42 F146 Q354 I355 L372 K373 L374K9-F352 HydrophobicContact CD-CD1 3.86Å; K9-F352 HydrophobicContact CD-CE1 4.31Å; K9-F352 HydrophobicContact CG-CD1 4.18Å; K9-F352 HydrophobicContact CG-CE1 4.13Å; A11-F352 HydrophobicContact CB-CE1 4.49Å; A11-F352 HydrophobicContact CB-CE2 4.32Å; A11-F352 HydrophobicContact CB-CZ 3.77Å; I22-F352 HydrophobicContact CD1-CE1 4.28Å; T42-F352 HydrophobicContact CG2-CD2 4.46Å; T42-F352 HydrophobicContact CG2-CE2 4.43Å; F146-F352 VanDerWaalsContact C-CZ 3.43Å; F146-F352 HydrophobicContact CB-CE2 4.13Å; F146-F352 HydrophobicContact CB-CZ 4.21Å; F146-F352 WeakPolarHBondContact O-CZ 3.28Å; F352-Q354 PolarHBondContact O-N 2.99Å; F352-Q354 VanDerWaalsContact O-N 3.09Å; F352-I355 HydrophobicContact CE2-CD1 3.95Å; F352-I355 WeakPolarHBondContact O-CB 3.31Å; F352-I355 PolarHBondContact O-N 3.07Å; F352-I355 VanDerWaalsContact O-N 3.17Å; F352-L372 HydrophobicContact CD2-CB 4.37Å; F352-K373 WeakPolarHBondContact CB-O 3.44Å; F352-K373 PolarHBondContact N-O 3.38Å; F352-L374 HydrophobicContact CB-CG 4.15Å; F352-L374 HydrophobicContact CD1-CD2 4.36Å; F352-L374 HydrophobicContact CD1-CG 4.36Å; F352-L374 HydrophobicContact CD2-CD1 4.4Å; F352-L374 HydrophobicContact CD2-CD2 4.17Å; F352-L374 HydrophobicContact CD2-CG 3.89Å; F352-L374 HydrophobicContact CE1-CD2 4.41Å; F352-L374 HydrophobicContact CE2-CD2 4.22Å; F352-L374 HydrophobicContact CE2-CG 4.42Å; F352-L374 HydrophobicContact CG-CD2 4.27Å; F352-L374 HydrophobicContact CG-CG 3.88Å; F352-L374 HydrophobicContact CZ-CD2 4.36Å
353D98.3Very high96.9Very high87 Ų8750.7 Ų50.747%0.46526%0.263SS..G310 helixtrans-62-17.7175.3-64.7-41.1000113.5K9 S351K9-D353 WeakPolarHBondContact CD-OD1 3.31Å; K9-D353 WeakPolarHBondContact CE-OD1 3.41Å; K9-D353 VanDerWaalsContact NZ-CG 3.31Å; K9-D353 IonicContact NZ-OD1 2.86Å; K9-D353 PolarHBondContact NZ-OD1 3.32Å; K9-D353 IonicContact NZ-OD2 3.37Å; K9-D353 PolarHBondContact NZ-OD2 3.24Å; K9-D353 VanDerWaalsContact NZ-OD2 3.12Å; S351-D353 PolarHBondContact O-N 2.61Å
354Q98.3Very high96.5Very high77 Ų7750.2 Ų50.236%0.3627%0.265SS..G310 helixtrans-98.218.7-179.8-60.4178.3-5700113L350 S351 F352 N356 K357 A358L350-Q354 HydrophobicContact CB-CB 4.14Å; L350-Q354 HydrophobicContact CD1-CB 4.24Å; S351-Q354 WeakPolarHBondContact O-CB 3.5Å; S351-Q354 PolarHBondContact O-N 3.43Å; S351-Q354 PolarHBondContact OG-OE1 3.46Å; F352-Q354 PolarHBondContact O-N 2.99Å; F352-Q354 VanDerWaalsContact O-N 3.09Å; Q354-N356 VanDerWaalsContact C-N 3.28Å; Q354-N356 PolarHBondContact O-N 3.31Å; Q354-K357 HydrophobicContact CB-CB 4.42Å; Q354-K357 WeakPolarHBondContact O-CA 3.19Å; Q354-K357 VanDerWaalsContact O-CB 3.29Å; Q354-K357 WeakPolarHBondContact O-CB 3.42Å; Q354-K357 PolarHBondContact O-N 3.08Å; Q354-A358 PolarHBondContact O-N 3.29Å; Q354-A358 VanDerWaalsContact O-N 3.14Å
355I98.6Very high96Very high0 Ų048.2 Ų48.20%026%0.263CS..Hα-helixtrans-55.4-36.6-176.7-170.4161.3000114.4A11 L20 I22 V44 F146 F352 K357 A358 L359 L372A11-I355 HydrophobicContact CB-CD1 3.86Å; A11-I355 HydrophobicContact CB-CG2 3.92Å; L20-I355 HydrophobicContact CB-CG2 4.32Å; L20-I355 HydrophobicContact CD1-CD1 3.76Å; L20-I355 HydrophobicContact CD1-CG1 3.9Å; L20-I355 HydrophobicContact CD1-CG2 4.15Å; I22-I355 HydrophobicContact CD1-CG2 4Å; V44-I355 HydrophobicContact CG2-CG1 4.33Å; F146-I355 HydrophobicContact CB-CD1 4.05Å; F146-I355 HydrophobicContact CD1-CD1 3.84Å; F146-I355 HydrophobicContact CD2-CD1 3.45Å; F146-I355 VanDerWaalsContact CD2-CD1 3.45Å; F146-I355 HydrophobicContact CE1-CD1 4.14Å; F146-I355 HydrophobicContact CE2-CD1 3.79Å; F146-I355 HydrophobicContact CG-CD1 3.51Å; F146-I355 HydrophobicContact CZ-CD1 4.13Å; F352-I355 HydrophobicContact CE2-CD1 3.95Å; F352-I355 WeakPolarHBondContact O-CB 3.31Å; F352-I355 PolarHBondContact O-N 3.07Å; F352-I355 VanDerWaalsContact O-N 3.17Å; I355-K357 VanDerWaalsContact C-N 3.3Å; I355-K357 PolarHBondContact O-N 3.37Å; I355-A358 WeakPolarHBondContact O-CB 3.3Å; I355-A358 PolarHBondContact O-N 2.89Å; I355-A358 VanDerWaalsContact O-N 3.11Å; I355-L359 PolarHBondContact O-N 3Å; I355-L359 VanDerWaalsContact O-N 3.11Å; I355-L372 HydrophobicContact CB-CD1 3.96Å; I355-L372 HydrophobicContact CD1-CD1 3.8Å; I355-L372 HydrophobicContact CG1-CD1 3.58Å
356N98.4Very high95.5Very high48 Ų4856.2 Ų56.226%0.25730%0.298SS..Hα-helixtrans-64.1-37175.6-72-57000111.8L20 Q354 A358 L359 D360L20-N356 PolarHBondContact N-OD1 3.25Å; L20-N356 PolarHBondContact O-ND2 2.89Å; Q354-N356 VanDerWaalsContact C-N 3.28Å; Q354-N356 PolarHBondContact O-N 3.31Å; N356-A358 VanDerWaalsContact C-N 3.3Å; N356-A358 PolarHBondContact O-N 2.94Å; N356-L359 WeakPolarHBondContact O-CB 3.27Å; N356-L359 PolarHBondContact O-N 2.99Å; N356-D360 PolarHBondContact O-N 3.29Å
357K98Very high95.1Very high108 Ų10856.1 Ų56.147%0.4730%0.299SS..Hα-helixtrans-64.8-35.4173.2-177.3-177.7175.9-174.10111.6L350 Q354 I355 L359 D360 L361L350-K357 HydrophobicContact CD1-CB 4.26Å; L350-K357 HydrophobicContact CD1-CD 4.2Å; L350-K357 HydrophobicContact CD1-CG 4.15Å; L350-K357 HydrophobicContact CD2-CD 4.46Å; Q354-K357 HydrophobicContact CB-CB 4.42Å; Q354-K357 WeakPolarHBondContact O-CA 3.19Å; Q354-K357 VanDerWaalsContact O-CB 3.29Å; Q354-K357 WeakPolarHBondContact O-CB 3.42Å; Q354-K357 PolarHBondContact O-N 3.08Å; I355-K357 VanDerWaalsContact C-N 3.3Å; I355-K357 PolarHBondContact O-N 3.37Å; K357-L359 VanDerWaalsContact C-N 3.34Å; K357-D360 PolarHBondContact O-N 3.47Å; K357-L361 WeakPolarHBondContact O-CG 3.39Å; K357-L361 PolarHBondContact O-N 3.01Å
358A97.4Very high95Very high0 Ų054.8 Ų54.80%029%0.289CS..Hα-helixtrans-62.9-40.4174.400000111.9V44 L350 Q354 I355 N356 L361 M362 T370 L372V44-A358 HydrophobicContact CG2-CB 3.88Å; L350-A358 HydrophobicContact CD1-CB 4.11Å; Q354-A358 PolarHBondContact O-N 3.29Å; Q354-A358 VanDerWaalsContact O-N 3.14Å; I355-A358 WeakPolarHBondContact O-CB 3.3Å; I355-A358 PolarHBondContact O-N 2.89Å; I355-A358 VanDerWaalsContact O-N 3.11Å; N356-A358 VanDerWaalsContact C-N 3.3Å; N356-A358 PolarHBondContact O-N 2.94Å; A358-L361 PolarHBondContact O-N 3.39Å; A358-M362 PolarHBondContact O-N 3.12Å; A358-M362 VanDerWaalsContact O-N 3.13Å; A358-T370 HydrophobicContact CB-CG2 3.55Å; A358-L372 HydrophobicContact CB-CD1 4.37Å; A358-L372 HydrophobicContact CB-CD2 4.19Å; A358-L372 HydrophobicContact CB-CG 4.47Å
359L95.9Very high94.9Very high7 Ų753.4 Ų53.44%0.03728%0.28CS..Hα-helixtrans-62.9-42.9173.2-72.1161.7000111.6L20 V44 A49 L52 I355 N356 K357 L361 M362 H363L20-L359 HydrophobicContact CD1-CD1 3.89Å; L20-L359 HydrophobicContact CG-CD1 4.19Å; V44-L359 HydrophobicContact CG1-CD2 3.45Å; V44-L359 VanDerWaalsContact CG1-CD2 3.45Å; V44-L359 HydrophobicContact CG1-CG 4.03Å; A49-L359 HydrophobicContact CB-CD2 4.05Å; L52-L359 HydrophobicContact CD2-CD1 3.67Å; I355-L359 PolarHBondContact O-N 3Å; I355-L359 VanDerWaalsContact O-N 3.11Å; N356-L359 WeakPolarHBondContact O-CB 3.27Å; N356-L359 PolarHBondContact O-N 2.99Å; K357-L359 VanDerWaalsContact C-N 3.34Å; L359-L361 PolarHBondContact O-N 3.5Å; L359-M362 HydrophobicContact CD2-CE 4.11Å; L359-M362 WeakPolarHBondContact O-CB 3.24Å; L359-M362 PolarHBondContact O-N 3.33Å; L359-H363 PolarHBondContact O-N 2.97Å; L359-H363 PolarHBondContact O-ND1 2.99Å
360D96.1Very high94.9Very high102 Ų10248.9 Ų48.955%0.54526%0.256SS..Hα-helixtrans-63.3-40.6177.1-64.4-26.7000112.7N356 K357 M362 H363 S364N356-D360 PolarHBondContact O-N 3.29Å; K357-D360 PolarHBondContact O-N 3.47Å; D360-M362 VanDerWaalsContact C-N 3.27Å; D360-M362 PolarHBondContact O-N 2.99Å; D360-H363 PolarHBondContact O-N 2.93Å; D360-S364 WeakPolarHBondContact O-CB 3.27Å; D360-S364 PolarHBondContact O-N 2.88Å; D360-S364 PolarHBondContact O-OG 3.04Å
361L94.5Very high94.9Very high31 Ų3147.9 Ų47.916%0.16225%0.251CS..Hα-helixtrans-62.9-34.7175.1-74.9173.3000112.1D348 L350 K357 A358 L359 S364 K366 S367D348-L361 HydrophobicContact CB-CD1 4.22Å; L350-L361 HydrophobicContact CD1-CD1 4.07Å; K357-L361 WeakPolarHBondContact O-CG 3.39Å; K357-L361 PolarHBondContact O-N 3.01Å; A358-L361 PolarHBondContact O-N 3.39Å; L359-L361 PolarHBondContact O-N 3.5Å; L361-S364 PolarHBondContact O-OG 2.99Å; L361-K366 PolarHBondContact O-N 2.91Å; L361-S367 PolarHBondContact O-N 3.35Å; L361-S367 PolarHBondContact O-OG 2.95Å
362M92.8Very high95Very high37 Ų3745.3 Ų45.318%0.18223%0.233CC..Hα-helixtrans-69.5-48.7174.3-178.117867.500111.2V44 H46 A49 A358 L359 D360 S364 G365 S367V44-M362 HydrophobicContact CG1-CE 4.02Å; V44-M362 HydrophobicContact CG1-SD 4.15Å; H46-M362 HydrophobicContact CB-SD 4.35Å; H46-M362 PolarHBondContact N-SD 2.87Å; A49-M362 HydrophobicContact CB-CE 3.26Å; A358-M362 PolarHBondContact O-N 3.12Å; A358-M362 VanDerWaalsContact O-N 3.13Å; L359-M362 HydrophobicContact CD2-CE 4.11Å; L359-M362 WeakPolarHBondContact O-CB 3.24Å; L359-M362 PolarHBondContact O-N 3.33Å; D360-M362 VanDerWaalsContact C-N 3.27Å; D360-M362 PolarHBondContact O-N 2.99Å; M362-S364 VanDerWaalsContact C-N 3.32Å; M362-S364 PolarHBondContact O-N 3.23Å; M362-G365 PolarHBondContact O-N 2.78Å; M362-G365 VanDerWaalsContact O-N 3.1Å; M362-S367 PolarHBondContact N-OG 3.44Å
363H89.7Confident94.9Very high120 Ų12052.4 Ų52.456%0.55626%0.264SS*.Hα-helixtrans-63.1-36.7-179.5-66.7143.7000113.2A49 L359 D360 G365A49-H363 WeakPolarHBondContact CB-NE2 3.42Å; L359-H363 PolarHBondContact O-N 2.97Å; L359-H363 PolarHBondContact O-ND1 2.99Å; D360-H363 PolarHBondContact O-N 2.93Å; H363-G365 PolarHBondContact O-N 3.05Å
364S91Very high94.7Very high61 Ų6151 Ų5143%0.42726%0.256SS..THydrogen-bonded Turntrans-72.3-6.9177.6610000114D360 L361 M362 K366D360-S364 WeakPolarHBondContact O-CB 3.27Å; D360-S364 PolarHBondContact O-N 2.88Å; D360-S364 PolarHBondContact O-OG 3.04Å; L361-S364 PolarHBondContact O-OG 2.99Å; M362-S364 VanDerWaalsContact C-N 3.32Å; M362-S364 PolarHBondContact O-N 3.23Å; S364-K366 PolarHBondContact O-N 3.49Å
365G85.7Confident94.5Very high29 Ų2949.7 Ų49.730%0.29925%0.251SS..THydrogen-bonded Turntrans6814.5-179.100000114.2M362 H363M362-G365 PolarHBondContact O-N 2.78Å; M362-G365 VanDerWaalsContact O-N 3.1Å; H363-G365 PolarHBondContact O-N 3.05Å
366K87.4Confident94.3Very high169 Ų16952.3 Ų52.374%0.73526%0.264SS*.  trans-87.8-12.7-179.3-66.7-178.5-179.9179.40113.5L361 S364L361-K366 PolarHBondContact O-N 2.91Å; S364-K366 PolarHBondContact O-N 3.49Å
367S90.1Very high94Very high19 Ų1952.5 Ų52.513%0.13326%0.264CS..  trans-119.5157.3178.966.90000111.9T347 D348 L361 M362T347-S367 WeakPolarHBondContact OG1-CA 3.19Å; T347-S367 WeakPolarHBondContact OG1-CB 3.26Å; D348-S367 VanDerWaalsContact OD2-CB 3.32Å; D348-S367 WeakPolarHBondContact OD2-CB 3.38Å; L361-S367 PolarHBondContact O-N 3.35Å; L361-S367 PolarHBondContact O-OG 2.95Å; M362-S367 PolarHBondContact N-OG 3.44Å
368I93.2Very high93.8Very high30 Ų3049.2 Ų49.215%0.15425%0.252CS..SBendtrans-102.1-55170.6-67.9164.7000109.5L205 K231 F345 T347L205-I368 HydrophobicContact CD1-CD1 3.48Å; L205-I368 VanDerWaalsContact CD1-CD1 3.48Å; L205-I368 HydrophobicContact CD1-CG1 4.05Å; L205-I368 HydrophobicContact CD1-CG2 4.02Å; K231-I368 HydrophobicContact CB-CD1 4.42Å; K231-I368 HydrophobicContact CD-CD1 4.47Å; K231-I368 HydrophobicContact CG-CD1 3.55Å; F345-I368 HydrophobicContact CB-CG2 4.35Å; F345-I368 HydrophobicContact CD1-CG2 4.03Å; F345-I368 WeakPolarHBondContact O-CB 3.43Å; F345-I368 WeakPolarHBondContact O-CG2 3.41Å; T347-I368 HydrophobicContact CG2-CB 3.82Å; T347-I368 HydrophobicContact CG2-CD1 3.9Å; T347-I368 HydrophobicContact CG2-CG1 3.96Å; T347-I368 PolarHBondContact OG1-N 3.32Å
369R95.9Very high93.6Very high17 Ų1752.3 Ų52.36%0.06427%0.268CS..EExtended strand (participates in β ladder)trans-139.7130.9168.3-70.7-66.3-175.1-91.112.8109.2E68 L171 F345 T347 D348E68-R369 IonicContact OE1-CZ 2.77Å; E68-R369 IonicContact OE1-NE 3.74Å; E68-R369 PolarHBondContact OE1-NE 3.24Å; E68-R369 IonicContact OE1-NH2 3.41Å; E68-R369 PolarHBondContact OE1-NH2 3.48Å; E68-R369 IonicContact OE2-NE 3.89Å; E68-R369 PolarHBondContact OE2-NE 2.93Å; L171-R369 HydrophobicContact CD1-CB 4.03Å; L171-R369 HydrophobicContact CD1-CG 4Å; L171-R369 HydrophobicContact CD2-CB 3.9Å; L171-R369 HydrophobicContact CD2-CG 3.81Å; F345-R369 HydrophobicContact CB-CG 4.36Å; F345-R369 WeakPolarHBondContact O-CB 3.47Å; F345-R369 PolarHBondContact O-N 3.31Å; F345-R369 VanDerWaalsContact O-N 3.11Å; T347-R369 PolarHBondContact N-O 2.97Å; T347-R369 PolarHBondContact OG1-O 3.08Å; D348-R369 PolarHBondContact N-O 3.28Å
370T97.8Very high93.4Very high3 Ų355.3 Ų55.32%0.01828%0.283CS..EExtended strand (participates in β ladder)trans-103.3119.5169.1-59.20000108.1A43 V44 D348 L350 A358A43-T370 WeakPolarHBondContact CA-O 3.42Å; V44-T370 PolarHBondContact N-O 2.84Å; D348-T370 HydrophobicContact CB-CG2 3.87Å; D348-T370 WeakPolarHBondContact O-CA 3.44Å; L350-T370 HydrophobicContact CB-CG2 4.36Å; L350-T370 HydrophobicContact CD1-CG2 3.78Å; L350-T370 HydrophobicContact CG-CG2 3.92Å; A358-T370 HydrophobicContact CB-CG2 3.55Å
371V98.4Very high93.2Very high2 Ų252 Ų521%0.01227%0.265CS..EExtended strand (participates in β ladder)trans-94.2133.8174.71770000109.1A41 A43 D167 L171 V346 D348 N349 L350A41-V371 HydrophobicContact CB-CG1 4.05Å; A43-V371 HydrophobicContact CB-CG2 4.45Å; D167-V371 HydrophobicContact CB-CG1 4.37Å; L171-V371 HydrophobicContact CD2-CG2 4.29Å; V346-V371 HydrophobicContact CG1-CB 4.32Å; V346-V371 HydrophobicContact CG1-CG2 3.89Å; V346-V371 HydrophobicContact CG2-CG2 3.86Å; D348-V371 PolarHBondContact O-N 3.25Å; N349-V371 WeakPolarHBondContact CA-O 3.39Å; L350-V371 PolarHBondContact N-O 2.68Å
372L98.6Very high93.1Very high0 Ų053.6 Ų53.60%027%0.272CS..EExtended strand (participates in β ladder)trans-107.1123.6176.3-64.6160.9000108.3A41 T42 V44 L350 S351 F352 I355 A358A41-L372 WeakPolarHBondContact CA-O 3.38Å; T42-L372 HydrophobicContact CG2-CB 3.87Å; T42-L372 HydrophobicContact CG2-CD1 4.17Å; T42-L372 PolarHBondContact N-O 3.21Å; T42-L372 PolarHBondContact O-N 2.78Å; V44-L372 HydrophobicContact CG2-CD1 3.82Å; L350-L372 HydrophobicContact CB-CD2 3.79Å; L350-L372 WeakPolarHBondContact O-CA 3.33Å; S351-L372 VanDerWaalsContact O-CD2 3.27Å; S351-L372 WeakPolarHBondContact O-CD2 3.39Å; F352-L372 HydrophobicContact CD2-CB 4.37Å; I355-L372 HydrophobicContact CB-CD1 3.96Å; I355-L372 HydrophobicContact CD1-CD1 3.8Å; I355-L372 HydrophobicContact CG1-CD1 3.58Å; A358-L372 HydrophobicContact CB-CD1 4.37Å; A358-L372 HydrophobicContact CB-CD2 4.19Å; A358-L372 HydrophobicContact CB-CG 4.47Å
373K96.8Very high93.2Very high154 Ų15455 Ų5567%0.6728%0.28SS*.EExtended strand (participates in β ladder)trans-88.3127.3171.3-175.2179178.5-177.80109.5L350 F352L350-K373 PolarHBondContact O-N 2.59Å; L350-K373 VanDerWaalsContact O-N 3.07Å; F352-K373 WeakPolarHBondContact CB-O 3.44Å; F352-K373 PolarHBondContact N-O 3.38Å
374L93.6Very high93.5Very high56 Ų5649.1 Ų49.129%0.29326%0.255SS..  trans-90.80176.2-64.484.8000111.7I39 I40 T42 S147 E148 F352I39-L374 HydrophobicContact CB-CD2 4.18Å; I39-L374 HydrophobicContact CG2-CD1 3.74Å; I39-L374 HydrophobicContact CG2-CD2 4.1Å; I40-L374 PolarHBondContact O-N 3.32Å; T42-L374 HydrophobicContact CG2-CD1 3.73Å; S147-L374 VanDerWaalsContact O-CD2 3.24Å; S147-L374 WeakPolarHBondContact O-CD2 2.85Å; E148-L374 HydrophobicContact CG-CB 4.37Å; E148-L374 HydrophobicContact CG-CD2 4.31Å; F352-L374 HydrophobicContact CB-CG 4.15Å; F352-L374 HydrophobicContact CD1-CD2 4.36Å; F352-L374 HydrophobicContact CD1-CG 4.36Å; F352-L374 HydrophobicContact CD2-CD1 4.4Å; F352-L374 HydrophobicContact CD2-CD2 4.17Å; F352-L374 HydrophobicContact CD2-CG 3.89Å; F352-L374 HydrophobicContact CE1-CD2 4.41Å; F352-L374 HydrophobicContact CE2-CD2 4.22Å; F352-L374 HydrophobicContact CE2-CG 4.42Å; F352-L374 HydrophobicContact CG-CD2 4.27Å; F352-L374 HydrophobicContact CG-CG 3.88Å; F352-L374 HydrophobicContact CZ-CD2 4.36Å

Retrieved 374 of 374 residues in 188.9 ms (Link to these results)

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