A0A087XUJ2_POEFO Loading...

Methyltransferase 23, arginine

AlphaFold DB , UniProt , Accession A0A087XUJ2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 255 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
1M35Very low39.1Very low247 Ų247139.9 Ų139.9100%1.21783%0.826SS**  089.30-87.9170.9175.400105.5
2E30.3Very low42.1Very low194 Ų194134.4 Ų134.491%0.90781%0.808SS**  trans-82.9118175-76.5173.515100107.4S4E2-S4 PolarHBondContact O-N 3.08Å
3E36.7Very low45.5Very low198 Ų198128.5 Ų128.593%0.92578%0.776SS**  trans-73.3101.2164.7-75.9-179.315100108G5E3-G5 PolarHBondContact O-N 3.25Å; E3-G5 VanDerWaalsContact O-N 3.15Å
4S33.8Very low48.8Very low118 Ų118124.6 Ų124.683%0.82574%0.74SS**  trans-76.192.4164.525.30000108.7E2 E6E2-S4 PolarHBondContact O-N 3.08Å; S4-E6 PolarHBondContact O-N 3.18Å
5G32.4Very low51.8Low69 Ų69121.7 Ų121.771%0.71172%0.724SS**  trans-62.8110.4166.400000110.2E3 Q7E3-G5 PolarHBondContact O-N 3.25Å; E3-G5 VanDerWaalsContact O-N 3.15Å; G5-Q7 PolarHBondContact O-N 3.19Å; G5-Q7 VanDerWaalsContact O-N 3.09Å
6E34.1Very low54.5Low194 Ų194114.1 Ų114.191%0.90768%0.679SS**  trans-68.7101.7170.2-160.4162-177.700108S4 A8S4-E6 PolarHBondContact O-N 3.18Å; E6-A8 PolarHBondContact O-N 2.69Å
7Q32.6Very low56.8Low193 Ų193110.2 Ų110.290%0.90266%0.656SS**  trans-64.4102173.3-82.2174.7-7.300108.6G5 G9G5-Q7 PolarHBondContact O-N 3.19Å; G5-Q7 VanDerWaalsContact O-N 3.09Å; Q7-G9 PolarHBondContact O-N 3.39Å
8A41Very low58.9Low98 Ų98104.2 Ų104.281%0.8162%0.62SS**  trans-57.2105.7167.100000108.7E6 S10E6-A8 PolarHBondContact O-N 2.69Å; A8-S10 PolarHBondContact O-N 2.89Å
9G44.1Very low60.6Low72 Ų72105.6 Ų105.674%0.74262%0.617SS**  trans-54.2127.1172.800000109.6Q7 A11Q7-G9 PolarHBondContact O-N 3.39Å; G9-A11 PolarHBondContact O-N 3.31Å
10S48.2Very low61.8Low119 Ų119101.7 Ų101.783%0.83259%0.593SS**  trans-56.6108.9175.31750000109.1A8 A12A8-S10 PolarHBondContact O-N 2.89Å; S10-A12 PolarHBondContact O-N 2.92Å
11A61.8Low62.5Low37 Ų37101.7 Ų101.731%0.30661%0.605SS.*PPolyproline II helixtrans-56.9125.1173.400000108.9G9 C13 P33 V35G9-A11 PolarHBondContact O-N 3.31Å; A11-C13 PolarHBondContact O-N 3.45Å; A11-P33 HydrophobicContact CB-CB 4.18Å; A11-V35 HydrophobicContact CB-CG2 3.96Å
12A75.7Confident64.6Low74 Ų7498.1 Ų98.161%0.61258%0.583SS**EExtended strand (participates in β ladder)trans-73.4120.5176.900000108S10 R14 E34S10-A12 PolarHBondContact O-N 2.92Å; A12-R14 PolarHBondContact O-N 3.05Å; A12-E34 PolarHBondContact N-O 3.16Å; A12-E34 PolarHBondContact O-N 3.45Å
13C85.8Confident67.1Low58 Ų5891.5 Ų91.539%0.39256%0.558SS.*EExtended strand (participates in β ladder)trans-82.9118.4174.7-158.60000109.5A11 C31 I32A11-C13 PolarHBondContact O-N 3.45Å; C13-C31 WeakPolarHBondContact CB-SG 3.49Å; C13-C31 WeakPolarHBondContact SG-CB 3.42Å; C13-C31 CovalentContact SG-SG 2.03Å; C13-C31 PolarHBondContact SG-SG 3.35Å; C13-I32 WeakPolarHBondContact CA-O 3.47Å; C13-I32 VanDerWaalsContact SG-C 3.57Å; C13-I32 PolarHBondContact SG-N 3.03Å; C13-I32 VanDerWaalsContact SG-N 3.4Å
14R91.6Very high69.1Low74 Ų7486.4 Ų86.428%0.27954%0.542SS..EExtended strand (participates in β ladder)trans-91.2132.3173.4-173.3172.1177-163.8-2109.6A12 F16 C31 I32 E34 G210 S211A12-R14 PolarHBondContact O-N 3.05Å; R14-F16 HydrophobicContact CB-CE2 4.05Å; R14-F16 HydrophobicContact CG-CD2 4.49Å; R14-F16 HydrophobicContact CG-CE2 3.8Å; R14-F16 HydrophobicContact CG-CZ 3.92Å; R14-C31 CarbonylContact O-C 3.44Å; R14-I32 PolarHBondContact N-O 3.35Å; R14-I32 PolarHBondContact O-N 3.29Å; R14-E34 HydrophobicContact CB-CG 4.33Å; R14-E34 WeakPolarHBondContact CD-OE2 3.39Å; R14-E34 IonicContact NH1-OE1 3.86Å; R14-G210 PolarHBondContact NH2-O 3.41Å; R14-S211 PolarHBondContact NH2-OG 3.16Å
15V93.9Very high71.5Confident81 Ų8189.5 Ų89.549%0.49154%0.544SS..EExtended strand (participates in β ladder)trans-100.3127.7179.2-178.10000109.8V30 C31V15-V30 WeakPolarHBondContact CA-O 3.22Å; V15-C31 HydrophobicContact CG2-CB 4.43Å
16F94.5Very high74.3Confident0 Ų089.9 Ų89.90%053%0.527CS..EExtended strand (participates in β ladder)trans-109.2124.9173.9-63.2-93.2000109R14 F18 S29 V30 I32 V44 V49 L76 A209R14-F16 HydrophobicContact CB-CE2 4.05Å; R14-F16 HydrophobicContact CG-CD2 4.49Å; R14-F16 HydrophobicContact CG-CE2 3.8Å; R14-F16 HydrophobicContact CG-CZ 3.92Å; F16-F18 HydrophobicContact CB-CE2 3.69Å; F16-F18 HydrophobicContact CB-CZ 4.09Å; F16-S29 CarbonylContact O-C 3.52Å; F16-S29 VanDerWaalsContact O-CA 3.27Å; F16-S29 WeakPolarHBondContact O-CA 3.46Å; F16-V30 PolarHBondContact N-O 3.36Å; F16-V30 PolarHBondContact O-N 2.92Å; F16-I32 HydrophobicContact CD2-CB 4.41Å; F16-I32 HydrophobicContact CD2-CG1 4.02Å; F16-I32 HydrophobicContact CE2-CB 4.08Å; F16-I32 HydrophobicContact CE2-CG1 4.07Å; F16-V44 HydrophobicContact CE1-CB 4.41Å; F16-V44 HydrophobicContact CE1-CG1 4.02Å; F16-V44 HydrophobicContact CE2-CB 4.28Å; F16-V44 HydrophobicContact CE2-CG1 4.47Å; F16-V44 HydrophobicContact CE2-CG2 3.65Å; F16-V44 HydrophobicContact CZ-CB 3.67Å; F16-V44 HydrophobicContact CZ-CG1 3.73Å; F16-V44 HydrophobicContact CZ-CG2 3.57Å; F16-V49 HydrophobicContact CD1-CG2 4.33Å; F16-V49 HydrophobicContact CE1-CG2 3.93Å; F16-L76 HydrophobicContact CB-CD1 4.21Å; F16-L76 HydrophobicContact CD1-CD2 4.1Å; F16-L76 HydrophobicContact CD2-CD1 4.03Å; F16-L76 HydrophobicContact CD2-CD2 4.2Å; F16-L76 HydrophobicContact CE1-CD2 4.26Å; F16-L76 HydrophobicContact CE2-CD2 4.38Å; F16-L76 HydrophobicContact CG-CD1 4.16Å; F16-L76 HydrophobicContact CG-CD2 4.07Å; F16-L76 HydrophobicContact CZ-CD2 4.4Å; F16-A209 WeakPolarHBondContact CA-O 3.44Å; F16-A209 HydrophobicContact CB-CB 4.31Å; F16-A209 HydrophobicContact CD1-CB 4.49Å
17T94.6Very high77.2Confident48 Ų4883.6 Ų83.629%0.29451%0.505SS..EExtended strand (participates in β ladder)trans-115.7114.8-178.5-59.10000110.5K19 L28 S29 A209T17-K19 HydrophobicContact CG2-CG 4.28Å; T17-L28 WeakPolarHBondContact CA-O 3.3Å; T17-S29 WeakPolarHBondContact CG2-OG 3.36Å; T17-S29 PolarHBondContact OG1-OG 2.78Å; T17-A209 VanDerWaalsContact O-CA 3.3Å; T17-A209 WeakPolarHBondContact O-CA 2.87Å
18F93.8Very high80.2Confident1 Ų175.3 Ų75.30%0.00447%0.466CS..EExtended strand (participates in β ladder)trans-97.8134.4177.3-56.9-93.9000108.9F16 S27 L28 A52 Q53 W56 L76 L80 A209F16-F18 HydrophobicContact CB-CE2 3.69Å; F16-F18 HydrophobicContact CB-CZ 4.09Å; F18-S27 CarbonylContact O-C 3.55Å; F18-S27 WeakPolarHBondContact O-CA 3.11Å; F18-S27 VanDerWaalsContact O-CB 3.31Å; F18-S27 WeakPolarHBondContact O-CB 3.32Å; F18-L28 PolarHBondContact N-O 3.46Å; F18-L28 PolarHBondContact O-N 3.24Å; F18-A52 HydrophobicContact CE1-CB 3.63Å; F18-A52 HydrophobicContact CE2-CB 4.37Å; F18-A52 HydrophobicContact CZ-CB 3.44Å; F18-A52 VanDerWaalsContact CZ-CB 3.44Å; F18-Q53 HydrophobicContact CD1-CB 4.32Å; F18-Q53 HydrophobicContact CE1-CB 4.32Å; F18-W56 HydrophobicContact CB-CB 3.99Å; F18-W56 HydrophobicContact CB-CD2 3.88Å; F18-W56 HydrophobicContact CB-CG 3.53Å; F18-W56 HydrophobicContact CD1-CB 4.32Å; F18-W56 HydrophobicContact CG-CB 4.31Å; F18-W56 HydrophobicContact CG-CG 4.37Å; F18-L76 HydrophobicContact CE2-CD1 4.3Å; F18-L76 HydrophobicContact CZ-CD1 4.35Å; F18-L76 HydrophobicContact CZ-CD2 4.47Å; F18-L80 HydrophobicContact CB-CD1 4.45Å; F18-L80 HydrophobicContact CD1-CD1 4.15Å; F18-L80 HydrophobicContact CD2-CD1 3.22Å; F18-L80 HydrophobicContact CE1-CD1 4.23Å; F18-L80 HydrophobicContact CE2-CD1 3.31Å; F18-L80 HydrophobicContact CG-CD1 3.68Å; F18-L80 HydrophobicContact CZ-CD1 3.84Å; F18-A209 HydrophobicContact CD1-CB 3.83Å; F18-A209 HydrophobicContact CD2-CB 4.41Å; F18-A209 HydrophobicContact CE1-CB 3.6Å; F18-A209 HydrophobicContact CE2-CB 4.21Å; F18-A209 HydrophobicContact CG-CB 4.23Å; F18-A209 HydrophobicContact CZ-CB 3.8Å
19K90.9Very high82.8Confident132 Ų13273 Ų7357%0.57444%0.444SS*.EExtended strand (participates in β ladder)trans-126.8143.1-177.3-61.9-175.1179-179.30109.6T17 W56T17-K19 HydrophobicContact CG2-CG 4.28Å; K19-W56 PolarHBondContact O-NE1 3.5Å
20D84.3Confident85.3Confident26 Ų2669.6 Ų69.614%0.13941%0.409CS..  trans-79.1126.6171.8-166.5-30000110K22 S23 P24 E26 R59D20-K22 PolarHBondContact O-N 3.05Å; D20-K22 WeakPolarHBondContact OD1-CB 3.42Å; D20-K22 PolarHBondContact OD1-N 3.41Å; D20-S23 CarbonylContact O-C 3.46Å; D20-S23 PolarHBondContact O-N 3.36Å; D20-P24 WeakPolarHBondContact O-CA 3.38Å; D20-E26 HydrophobicContact CB-CB 4.41Å; D20-E26 PolarHBondContact N-O 2.72Å; D20-E26 VanDerWaalsContact N-O 3.11Å; D20-R59 IonicContact OD2-CZ 3.81Å; D20-R59 IonicContact OD2-NH2 2.72Å; D20-R59 PolarHBondContact OD2-NH2 3.41Å
21A77.4Confident87.5Confident102 Ų10265.4 Ų65.484%0.84338%0.379SS*.SBendtrans-63.6-30.2176.200000112.5
22K79.2Confident89Confident173 Ų17363.6 Ų63.675%0.75237%0.365SS*.SBendtrans-87.1-18.8179.1-61.9178.1-176.8171.50112.5D20D20-K22 PolarHBondContact O-N 3.05Å; D20-K22 WeakPolarHBondContact OD1-CB 3.42Å; D20-K22 PolarHBondContact OD1-N 3.41Å
23S83.1Confident89.8Confident55 Ų5560.8 Ų60.839%0.38534%0.34SS..  trans-144.681.1-179.4-70.60000109.8D20 E25 E26D20-S23 CarbonylContact O-C 3.46Å; D20-S23 PolarHBondContact O-N 3.36Å; S23-E25 PolarHBondContact O-N 3.2Å; S23-E26 WeakPolarHBondContact O-CA 3.26Å; S23-E26 WeakPolarHBondContact O-CB 3.32Å; S23-E26 PolarHBondContact O-N 3.45Å
24P77.7Confident89.7Confident90 Ų9060.2 Ų60.258%0.58433%0.332SS*.THydrogen-bonded Turntrans-60.4-21.2-172.7-25.134.8000114.8D20 E26D20-P24 WeakPolarHBondContact O-CA 3.38Å; P24-E26 VanDerWaalsContact C-N 3.3Å
25E85.3Confident89Confident184 Ų18458.8 Ų58.886%0.8633%0.331SS*.THydrogen-bonded Turntrans-69.1-29.4174.3-46.8-63.216300111.7S23 S27S23-E25 PolarHBondContact O-N 3.2Å; E25-S27 PolarHBondContact O-N 3.32Å
26E91Very high87.6Confident76 Ų7663.8 Ų63.836%0.35535%0.354SS..  trans-82.6113.6176.9-166.6174.2-173.700109.4D20 S23 P24 W56 R59D20-E26 HydrophobicContact CB-CB 4.41Å; D20-E26 PolarHBondContact N-O 2.72Å; D20-E26 VanDerWaalsContact N-O 3.11Å; S23-E26 WeakPolarHBondContact O-CA 3.26Å; S23-E26 WeakPolarHBondContact O-CB 3.32Å; S23-E26 PolarHBondContact O-N 3.45Å; P24-E26 VanDerWaalsContact C-N 3.3Å; E26-W56 HydrophobicContact CG-CH2 3.99Å; E26-W56 HydrophobicContact CG-CZ2 4.01Å; E26-R59 VanDerWaalsContact CD-NH2 3.29Å; E26-R59 IonicContact OE1-CZ 3.56Å; E26-R59 IonicContact OE1-NH1 3.2Å; E26-R59 PolarHBondContact OE1-NH1 2.9Å; E26-R59 IonicContact OE1-NH2 2.68Å; E26-R59 PolarHBondContact OE1-NH2 2.78Å; E26-R59 IonicContact OE2-CZ 3.59Å; E26-R59 IonicContact OE2-NH1 3.7Å; E26-R59 IonicContact OE2-NH2 3.45Å; E26-R59 PolarHBondContact OE2-NH2 3.25Å
27S93.9Very high86.2Confident63 Ų6365 Ų6544%0.44136%0.36SS..EExtended strand (participates in β ladder)trans-145.6153.3178.465.30000111.8F18 E25F18-S27 CarbonylContact O-C 3.55Å; F18-S27 WeakPolarHBondContact O-CA 3.11Å; F18-S27 VanDerWaalsContact O-CB 3.31Å; F18-S27 WeakPolarHBondContact O-CB 3.32Å; E25-S27 PolarHBondContact O-N 3.32Å
28L95.8Very high84.5Confident19 Ų1968.9 Ų68.910%0.09939%0.387CS..EExtended strand (participates in β ladder)trans-130.7129.6174.9178.364.9000109.5T17 F18 V30 W56 L80 R83T17-L28 WeakPolarHBondContact CA-O 3.3Å; F18-L28 PolarHBondContact N-O 3.46Å; F18-L28 PolarHBondContact O-N 3.24Å; L28-V30 HydrophobicContact CG-CG2 4.43Å; L28-W56 HydrophobicContact CB-CE3 3.75Å; L28-W56 HydrophobicContact CB-CH2 3.65Å; L28-W56 HydrophobicContact CB-CZ2 4.4Å; L28-W56 HydrophobicContact CB-CZ3 3.28Å; L28-W56 HydrophobicContact CD2-CE3 3.93Å; L28-W56 HydrophobicContact CD2-CZ3 3.82Å; L28-W56 HydrophobicContact CG-CZ3 4.18Å; L28-L80 HydrophobicContact CD2-CD1 4.24Å; L28-L80 HydrophobicContact CD2-CG 4.03Å; L28-R83 HydrophobicContact CD1-CB 4.08Å; L28-R83 HydrophobicContact CD2-CB 3.81Å; L28-R83 HydrophobicContact CG-CB 4.49Å
29S96.3Very high83Confident49 Ų4972.8 Ų72.834%0.34341%0.405SS..EExtended strand (participates in β ladder)trans-110.5133.1174.1-62.70000111.3F16 T17 R83F16-S29 CarbonylContact O-C 3.52Å; F16-S29 VanDerWaalsContact O-CA 3.27Å; F16-S29 WeakPolarHBondContact O-CA 3.46Å; T17-S29 WeakPolarHBondContact CG2-OG 3.36Å; T17-S29 PolarHBondContact OG1-OG 2.78Å; S29-R83 PolarHBondContact O-NH1 3.42Å; S29-R83 PolarHBondContact O-NH2 2.96Å
30V96Very high81.5Confident0 Ų073 Ų730%040%0.403CS..EExtended strand (participates in β ladder)trans-120.9129178.8178.90000109.1V15 F16 L28 I32 L76 V79 L80 N110V15-V30 WeakPolarHBondContact CA-O 3.22Å; F16-V30 PolarHBondContact N-O 3.36Å; F16-V30 PolarHBondContact O-N 2.92Å; L28-V30 HydrophobicContact CG-CG2 4.43Å; V30-I32 HydrophobicContact CG1-CD1 3.7Å; V30-I32 HydrophobicContact CG1-CG1 4.12Å; V30-L76 HydrophobicContact CB-CD1 4.12Å; V30-L76 HydrophobicContact CG1-CD1 3.88Å; V30-V79 HydrophobicContact CG1-CB 4.2Å; V30-V79 HydrophobicContact CG1-CG1 3.4Å; V30-L80 HydrophobicContact CG2-CB 4.17Å; V30-L80 HydrophobicContact CG2-CD1 4.28Å; V30-L80 HydrophobicContact CG2-CG 4.49Å; V30-N110 WeakPolarHBondContact CA-OD1 3.38Å
31C95.1Very high80.5Confident31 Ų3172.2 Ų72.221%0.20940%0.401CS..EExtended strand (participates in β ladder)trans-98.3122177.2-156.80000109.9C13 R14 V15 A109 N110C13-C31 WeakPolarHBondContact CB-SG 3.49Å; C13-C31 WeakPolarHBondContact SG-CB 3.42Å; C13-C31 CovalentContact SG-SG 2.03Å; C13-C31 PolarHBondContact SG-SG 3.35Å; R14-C31 CarbonylContact O-C 3.44Å; V15-C31 HydrophobicContact CG2-CB 4.43Å; C31-A109 HydrophobicContact CB-CB 4.43Å; C31-N110 PolarHBondContact N-OD1 3.23Å; C31-N110 PolarHBondContact O-ND2 2.84Å
32I94.4Very high80.5Confident0 Ų067.6 Ų67.60%036%0.362CS..EExtended strand (participates in β ladder)trans-117.3114.1179.3-57.9-61.4000109.2C13 R14 F16 V30 E34 V44 V74 L76C13-I32 WeakPolarHBondContact CA-O 3.47Å; C13-I32 VanDerWaalsContact SG-C 3.57Å; C13-I32 PolarHBondContact SG-N 3.03Å; C13-I32 VanDerWaalsContact SG-N 3.4Å; R14-I32 PolarHBondContact N-O 3.35Å; R14-I32 PolarHBondContact O-N 3.29Å; F16-I32 HydrophobicContact CD2-CB 4.41Å; F16-I32 HydrophobicContact CD2-CG1 4.02Å; F16-I32 HydrophobicContact CE2-CB 4.08Å; F16-I32 HydrophobicContact CE2-CG1 4.07Å; V30-I32 HydrophobicContact CG1-CD1 3.7Å; V30-I32 HydrophobicContact CG1-CG1 4.12Å; I32-E34 HydrophobicContact CG2-CG 4.47Å; I32-E34 PolarHBondContact O-N 3.17Å; I32-V44 HydrophobicContact CB-CG2 4.23Å; I32-V44 HydrophobicContact CG1-CG2 4.42Å; I32-V44 HydrophobicContact CG2-CG2 3.78Å; I32-V74 HydrophobicContact CG2-CB 3.59Å; I32-V74 HydrophobicContact CG2-CG1 4.37Å; I32-V74 HydrophobicContact CG2-CG2 3.63Å; I32-L76 HydrophobicContact CD1-CB 4.12Å; I32-L76 HydrophobicContact CD1-CD1 4.11Å; I32-L76 HydrophobicContact CG1-CB 4.08Å; I32-L76 HydrophobicContact CG1-CD1 3.81Å; I32-L76 HydrophobicContact CG1-CG 4.49Å
33P90.9Very high80.6Confident15 Ų1563.7 Ų63.710%0.09734%0.343CS..EExtended strand (participates in β ladder)trans-63.2119.4169.5-19.833.2000110.2A11 R105 A109A11-P33 HydrophobicContact CB-CB 4.18Å; P33-R105 HydrophobicContact CG-CB 4.27Å; P33-A109 HydrophobicContact CG-CB 4.17Å
34E83.4Confident80.7Confident46 Ų4661.7 Ų61.722%0.21533%0.329CS..EExtended strand (participates in β ladder)trans-105.3139.8174.7-63-174.3147.700109.7A12 R14 I32 V44A12-E34 PolarHBondContact N-O 3.16Å; A12-E34 PolarHBondContact O-N 3.45Å; R14-E34 HydrophobicContact CB-CG 4.33Å; R14-E34 WeakPolarHBondContact CD-OE2 3.39Å; R14-E34 IonicContact NH1-OE1 3.86Å; I32-E34 HydrophobicContact CG2-CG 4.47Å; I32-E34 PolarHBondContact O-N 3.17Å; E34-V44 WeakPolarHBondContact OE1-CB 3.29Å; E34-V44 WeakPolarHBondContact OE1-CG2 3.33Å; E34-V44 PolarHBondContact OE1-N 3.41Å; E34-V44 VanDerWaalsContact OE1-N 3.12Å
35V77.7Confident81.3Confident43 Ų4360.5 Ų60.526%0.26131%0.313SS..  trans-123.5125.5174.8-176.90000107.6A11 D37 M42A11-V35 HydrophobicContact CB-CG2 3.96Å; V35-D37 HydrophobicContact CG1-CB 4.28Å; V35-D37 PolarHBondContact O-N 3.18Å; V35-M42 HydrophobicContact CB-CE 4.06Å; V35-M42 HydrophobicContact CG1-CE 4.34Å; V35-M42 HydrophobicContact CG2-CE 4.49Å; V35-M42 PolarHBondContact N-O 3.4Å; V35-M42 WeakPolarHBondContact O-CB 3.5Å
36L65Low81.5Confident187 Ų18753 Ų5398%0.97928%0.28SS*.  trans-70.494.9169.7-76156.3000108.3
37D65.4Low81.6Confident25 Ų2549.4 Ų49.413%0.13426%0.263CS..  trans-135.2140.6177.4-173.9-53.6000107.8V35 Q39 M42 R98V35-D37 HydrophobicContact CG1-CB 4.28Å; V35-D37 PolarHBondContact O-N 3.18Å; D37-Q39 PolarHBondContact O-N 3.34Å; D37-Q39 VanDerWaalsContact OD1-CB 3.27Å; D37-Q39 WeakPolarHBondContact OD1-CB 3.44Å; D37-Q39 VanDerWaalsContact OD1-CG 3.28Å; D37-Q39 WeakPolarHBondContact OD1-CG 3.34Å; D37-Q39 PolarHBondContact OD1-N 2.89Å; D37-M42 HydrophobicContact CB-CB 4.1Å; D37-M42 HydrophobicContact CB-CE 4.13Å; D37-M42 HydrophobicContact CB-CG 3.92Å; D37-R98 IonicContact OD2-NH1 3.65Å; D37-R98 PolarHBondContact OD2-NH1 3.17Å
38P58.9Low81.6Confident130 Ų13046.7 Ų46.784%0.84424%0.244SC*.SBendtrans-64.6-13.6178.526.5-36.1000114
39Q61.5Low81.5Confident82 Ų8245.8 Ų45.838%0.38324%0.24SC..SBendtrans-72.3136.7174.8-66.2172.744.900111.4D37 M42D37-Q39 PolarHBondContact O-N 3.34Å; D37-Q39 VanDerWaalsContact OD1-CB 3.27Å; D37-Q39 WeakPolarHBondContact OD1-CB 3.44Å; D37-Q39 VanDerWaalsContact OD1-CG 3.28Å; D37-Q39 WeakPolarHBondContact OD1-CG 3.34Å; D37-Q39 PolarHBondContact OD1-N 2.89Å; Q39-M42 HydrophobicContact CB-CG 4.24Å; Q39-M42 VanDerWaalsContact O-CG 3.31Å; Q39-M42 WeakPolarHBondContact O-CG 3.45Å
40Y59.6Low81.5Confident136 Ų13643.6 Ų43.653%0.53322%0.224SC..THydrogen-bonded Turntrans-58145169.8-62.7-75000110.7W45 C99Y40-W45 HydrophobicContact CD1-CH2 4.45Å; Y40-W45 AromaticContact CD1-CZ2 3.78Å; Y40-W45 HydrophobicContact CD1-CZ2 3.78Å; Y40-W45 HydrophobicContact CE1-CH2 4.4Å; Y40-W45 HydrophobicContact CE1-CZ2 4.18Å; Y40-C99 PolarHBondContact O-SG 3.33Å
41G62.7Low81.5Confident10 Ų1043.6 Ų43.610%0.10322%0.224CC..THydrogen-bonded Turntrans92.711.2175.500000115.7G73 V74G41-G73 CarbonylContact O-C 3.33Å; G41-G73 WeakPolarHBondContact O-CA 3.47Å; G41-V74 WeakPolarHBondContact O-CG1 3.3Å; G41-V74 PolarHBondContact O-N 2.63Å
42M77.6Confident81.7Confident6 Ų642.1 Ų42.13%0.0321%0.214CC..SBendtrans-103.7-2.9-176.8-55.3-65.3-71.400113.7V35 D37 Q39 V74 R98 N102V35-M42 HydrophobicContact CB-CE 4.06Å; V35-M42 HydrophobicContact CG1-CE 4.34Å; V35-M42 HydrophobicContact CG2-CE 4.49Å; V35-M42 PolarHBondContact N-O 3.4Å; V35-M42 WeakPolarHBondContact O-CB 3.5Å; D37-M42 HydrophobicContact CB-CB 4.1Å; D37-M42 HydrophobicContact CB-CE 4.13Å; D37-M42 HydrophobicContact CB-CG 3.92Å; Q39-M42 HydrophobicContact CB-CG 4.24Å; Q39-M42 VanDerWaalsContact O-CG 3.31Å; Q39-M42 WeakPolarHBondContact O-CG 3.45Å; M42-V74 VanDerWaalsContact C-CG1 3.44Å; M42-R98 HydrophobicContact CE-CB 4.38Å; M42-R98 HydrophobicContact SD-CB 4.39Å; M42-N102 WeakPolarHBondContact CE-ND2 3.3Å; M42-N102 PolarHBondContact SD-ND2 3.39Å
43Y80.8Confident81.7Confident91 Ų9142.9 Ų42.936%0.35722%0.218SC..SBendtrans-145.7165.8176.356.8-89.8000110.9W45Y43-W45 HydrophobicContact CE1-CZ2 4.43Å; Y43-W45 AromaticContact CE2-CD2 3.93Å; Y43-W45 HydrophobicContact CE2-CD2 3.93Å; Y43-W45 AromaticContact CE2-CE2 3.53Å; Y43-W45 HydrophobicContact CE2-CE3 4.37Å; Y43-W45 HydrophobicContact CE2-CG 4.44Å; Y43-W45 HydrophobicContact CE2-CH2 4.11Å; Y43-W45 AromaticContact CE2-CZ2 3.63Å; Y43-W45 HydrophobicContact CE2-CZ2 3.63Å; Y43-W45 HydrophobicContact CE2-CZ3 4.45Å; Y43-W45 AromaticContact CE2-NE1 3.84Å; Y43-W45 AromaticContact CZ-CE2 3.76Å; Y43-W45 AromaticContact CZ-CH2 3.97Å; Y43-W45 AromaticContact CZ-CZ2 3.42Å; Y43-W45 VanDerWaalsContact CZ-CZ2 3.42Å; Y43-W45 WeakPolarHBondContact OH-CH2 3.48Å; Y43-W45 WeakPolarHBondContact OH-CZ2 3.3Å
44V86.9Confident82Confident13 Ų1342.9 Ų42.98%0.07922%0.216CC..  trans-80.3122.5-179.8177.90000111.3F16 I32 E34 A48 V49 V74 L76F16-V44 HydrophobicContact CE1-CB 4.41Å; F16-V44 HydrophobicContact CE1-CG1 4.02Å; F16-V44 HydrophobicContact CE2-CB 4.28Å; F16-V44 HydrophobicContact CE2-CG1 4.47Å; F16-V44 HydrophobicContact CE2-CG2 3.65Å; F16-V44 HydrophobicContact CZ-CB 3.67Å; F16-V44 HydrophobicContact CZ-CG1 3.73Å; F16-V44 HydrophobicContact CZ-CG2 3.57Å; I32-V44 HydrophobicContact CB-CG2 4.23Å; I32-V44 HydrophobicContact CG1-CG2 4.42Å; I32-V44 HydrophobicContact CG2-CG2 3.78Å; E34-V44 WeakPolarHBondContact OE1-CB 3.29Å; E34-V44 WeakPolarHBondContact OE1-CG2 3.33Å; E34-V44 PolarHBondContact OE1-N 3.41Å; E34-V44 VanDerWaalsContact OE1-N 3.12Å; V44-A48 HydrophobicContact CG1-CB 4.08Å; V44-V49 HydrophobicContact CG1-CG2 3.58Å; V44-V74 HydrophobicContact CB-CG2 4.5Å; V44-V74 HydrophobicContact CG2-CG2 3.6Å; V44-L76 HydrophobicContact CG1-CD2 3.55Å; V44-L76 HydrophobicContact CG2-CB 4.29Å; V44-L76 HydrophobicContact CG2-CD2 4.29Å
45W88.6Confident82.7Confident64 Ų6440.7 Ų40.724%0.24221%0.206CC..  trans-81.9152.4172.1-70.188.7000112.2Y40 Y43 C47 A48 V49Y40-W45 HydrophobicContact CD1-CH2 4.45Å; Y40-W45 AromaticContact CD1-CZ2 3.78Å; Y40-W45 HydrophobicContact CD1-CZ2 3.78Å; Y40-W45 HydrophobicContact CE1-CH2 4.4Å; Y40-W45 HydrophobicContact CE1-CZ2 4.18Å; Y43-W45 HydrophobicContact CE1-CZ2 4.43Å; Y43-W45 AromaticContact CE2-CD2 3.93Å; Y43-W45 HydrophobicContact CE2-CD2 3.93Å; Y43-W45 AromaticContact CE2-CE2 3.53Å; Y43-W45 HydrophobicContact CE2-CE3 4.37Å; Y43-W45 HydrophobicContact CE2-CG 4.44Å; Y43-W45 HydrophobicContact CE2-CH2 4.11Å; Y43-W45 AromaticContact CE2-CZ2 3.63Å; Y43-W45 HydrophobicContact CE2-CZ2 3.63Å; Y43-W45 HydrophobicContact CE2-CZ3 4.45Å; Y43-W45 AromaticContact CE2-NE1 3.84Å; Y43-W45 AromaticContact CZ-CE2 3.76Å; Y43-W45 AromaticContact CZ-CH2 3.97Å; Y43-W45 AromaticContact CZ-CZ2 3.42Å; Y43-W45 VanDerWaalsContact CZ-CZ2 3.42Å; Y43-W45 WeakPolarHBondContact OH-CH2 3.48Å; Y43-W45 WeakPolarHBondContact OH-CZ2 3.3Å; W45-C47 PolarHBondContact O-N 2.84Å; W45-A48 WeakPolarHBondContact O-CB 3.28Å; W45-A48 PolarHBondContact O-N 2.86Å; W45-V49 PolarHBondContact O-N 3.4Å
46P89.7Confident83.6Confident27 Ų2739.4 Ų39.418%0.17520%0.196CC..Hα-helixtrans-51.8-41.5176.8-28.836.5000113.7A48 V49 V50 L213 V219P46-A48 VanDerWaalsContact C-N 3.26Å; P46-A48 PolarHBondContact O-N 2.79Å; P46-V49 PolarHBondContact O-N 3.05Å; P46-V49 VanDerWaalsContact O-N 3.12Å; P46-V50 PolarHBondContact O-N 2.87Å; P46-V50 VanDerWaalsContact O-N 3.08Å; P46-L213 HydrophobicContact CB-CD2 3.82Å; P46-V219 HydrophobicContact CB-CG2 4.43Å
47C92.8Very high85.1Confident0 Ų034.3 Ų34.30%017%0.167CC..Hα-helixtrans-56.4-36.8175.6-72.60000113.4W45 V50 L51 D142 T172 Q174W45-C47 PolarHBondContact O-N 2.84Å; C47-V50 PolarHBondContact O-N 2.83Å; C47-L51 WeakPolarHBondContact O-CB 3.49Å; C47-L51 PolarHBondContact O-N 3.01Å; C47-D142 HydrophobicContact CB-CB 3.62Å; C47-D142 PolarHBondContact SG-OD1 3.29Å; C47-T172 VanDerWaalsContact C-OG1 3.3Å; C47-T172 WeakPolarHBondContact CB-OG1 3.45Å; C47-T172 PolarHBondContact O-OG1 3.02Å; C47-Q174 PolarHBondContact SG-N 3.41Å; C47-Q174 VanDerWaalsContact SG-N 3.38Å
48A94.9Very high86.5Confident6 Ų635 Ų355%0.0517%0.169CC..Hα-helixtrans-68.8-37.8178.300000111.5V44 W45 P46 A52 P77V44-A48 HydrophobicContact CG1-CB 4.08Å; W45-A48 WeakPolarHBondContact O-CB 3.28Å; W45-A48 PolarHBondContact O-N 2.86Å; P46-A48 VanDerWaalsContact C-N 3.26Å; P46-A48 PolarHBondContact O-N 2.79Å; A48-A52 WeakPolarHBondContact O-CB 3.35Å; A48-A52 PolarHBondContact O-N 2.97Å; A48-P77 HydrophobicContact CB-CG 4.09Å
49V94.3Very high88.3Confident1 Ų130.3 Ų30.31%0.00613%0.134CC..Hα-helixtrans-66.2-43175.5-170.30000110.8F16 V44 W45 P46 A52 Q53 L76 L208 A209F16-V49 HydrophobicContact CD1-CG2 4.33Å; F16-V49 HydrophobicContact CE1-CG2 3.93Å; V44-V49 HydrophobicContact CG1-CG2 3.58Å; W45-V49 PolarHBondContact O-N 3.4Å; P46-V49 PolarHBondContact O-N 3.05Å; P46-V49 VanDerWaalsContact O-N 3.12Å; V49-A52 PolarHBondContact O-N 2.82Å; V49-Q53 PolarHBondContact O-N 3.11Å; V49-L76 HydrophobicContact CG2-CD2 4.15Å; V49-L208 HydrophobicContact CG1-CB 4.11Å; V49-L208 HydrophobicContact CG1-CD2 3.89Å; V49-L208 HydrophobicContact CG1-CG 3.83Å; V49-A209 HydrophobicContact CG1-CB 4.1Å
50V94.8Very high89.9Confident2 Ų232.1 Ų32.11%0.01215%0.147CC..Hα-helixtrans-63.2-45.4176.81750000111.2P46 C47 A52 Q53 Y54 T172 L198 F201 A203 L208 L213 V219P46-V50 PolarHBondContact O-N 2.87Å; P46-V50 VanDerWaalsContact O-N 3.08Å; C47-V50 PolarHBondContact O-N 2.83Å; V50-A52 VanDerWaalsContact C-N 3.35Å; V50-A52 PolarHBondContact O-N 3.03Å; V50-Q53 PolarHBondContact O-N 3.24Å; V50-Y54 PolarHBondContact O-N 3.03Å; V50-T172 HydrophobicContact CB-CG2 4.15Å; V50-T172 HydrophobicContact CG1-CG2 3.82Å; V50-L198 HydrophobicContact CG1-CD2 3.65Å; V50-F201 HydrophobicContact CG1-CE2 4.03Å; V50-F201 HydrophobicContact CG1-CZ 4.02Å; V50-A203 HydrophobicContact CG1-CB 4.25Å; V50-L208 HydrophobicContact CG2-CD2 4.2Å; V50-L213 HydrophobicContact CG2-CD1 4.45Å; V50-L213 HydrophobicContact CG2-CD2 4.49Å; V50-V219 HydrophobicContact CB-CG1 4.19Å; V50-V219 HydrophobicContact CG1-CG1 4.2Å; V50-V219 HydrophobicContact CG2-CG1 4.04Å
51L97.3Very high91.5Very high0 Ų031 Ų310%015%0.146CC..Hα-helixtrans-65.6-39178-175.458000111.6C47 Q53 Y54 L55 P77 L139 W170 T172 M221C47-L51 WeakPolarHBondContact O-CB 3.49Å; C47-L51 PolarHBondContact O-N 3.01Å; L51-Q53 VanDerWaalsContact C-N 3.35Å; L51-Q53 PolarHBondContact O-N 2.79Å; L51-Y54 WeakPolarHBondContact O-CB 3.35Å; L51-Y54 PolarHBondContact O-N 3.31Å; L51-L55 HydrophobicContact CG-CD1 4.48Å; L51-L55 WeakPolarHBondContact O-CG 3.47Å; L51-L55 PolarHBondContact O-N 2.88Å; L51-P77 HydrophobicContact CB-CB 4.5Å; L51-P77 HydrophobicContact CB-CG 4.29Å; L51-P77 HydrophobicContact CD2-CB 4.04Å; L51-P77 HydrophobicContact CD2-CG 4.12Å; L51-P77 HydrophobicContact CG-CB 4.12Å; L51-P77 HydrophobicContact CG-CG 4.35Å; L51-L139 HydrophobicContact CD2-CB 4.19Å; L51-W170 HydrophobicContact CD1-CB 4.16Å; L51-T172 HydrophobicContact CB-CG2 3.81Å; L51-T172 HydrophobicContact CD1-CG2 4.41Å; L51-M221 HydrophobicContact CD1-CE 4.03Å; L51-M221 HydrophobicContact CD1-SD 3.97Å
52A97.4Very high93.1Very high0 Ų030.5 Ų30.50%014%0.141CC..Hα-helixtrans-64.3-37174.800000112.4F18 A48 V49 V50 L55 W56 L76 L80F18-A52 HydrophobicContact CE1-CB 3.63Å; F18-A52 HydrophobicContact CE2-CB 4.37Å; F18-A52 HydrophobicContact CZ-CB 3.44Å; F18-A52 VanDerWaalsContact CZ-CB 3.44Å; A48-A52 WeakPolarHBondContact O-CB 3.35Å; A48-A52 PolarHBondContact O-N 2.97Å; V49-A52 PolarHBondContact O-N 2.82Å; V50-A52 VanDerWaalsContact C-N 3.35Å; V50-A52 PolarHBondContact O-N 3.03Å; A52-L55 PolarHBondContact O-N 2.85Å; A52-W56 WeakPolarHBondContact O-CB 3.48Å; A52-W56 PolarHBondContact O-N 2.93Å; A52-L76 HydrophobicContact CB-CD2 4.33Å; A52-L76 HydrophobicContact CB-CG 4.06Å; A52-L80 HydrophobicContact CB-CD1 4.27Å; A52-L80 WeakPolarHBondContact O-CD2 3.29Å
53Q95.8Very high94Very high17 Ų1740 Ų408%0.07918%0.177CC..Hα-helixtrans-65.4-41172.3177.464.824.600111.7F18 V49 V50 L51 L55 W56 F57 F201 A203 L208F18-Q53 HydrophobicContact CD1-CB 4.32Å; F18-Q53 HydrophobicContact CE1-CB 4.32Å; V49-Q53 PolarHBondContact O-N 3.11Å; V50-Q53 PolarHBondContact O-N 3.24Å; L51-Q53 VanDerWaalsContact C-N 3.35Å; L51-Q53 PolarHBondContact O-N 2.79Å; Q53-L55 VanDerWaalsContact C-N 3.33Å; Q53-L55 PolarHBondContact O-N 2.84Å; Q53-W56 PolarHBondContact O-N 3.27Å; Q53-F57 WeakPolarHBondContact O-CB 3.47Å; Q53-F57 PolarHBondContact O-N 2.92Å; Q53-F201 HydrophobicContact CB-CD2 4.5Å; Q53-F201 HydrophobicContact CG-CD2 3.99Å; Q53-F201 WeakPolarHBondContact CG-O 3.34Å; Q53-F201 PolarHBondContact NE2-O 3.31Å; Q53-A203 HydrophobicContact CG-CB 4.12Å; Q53-L208 HydrophobicContact CB-CD1 4.07Å; Q53-L208 HydrophobicContact CB-CD2 3.84Å; Q53-L208 HydrophobicContact CB-CG 4.3Å; Q53-L208 HydrophobicContact CG-CD1 3.8Å; Q53-L208 HydrophobicContact CG-CD2 4.28Å
54Y97Very high94.7Very high15 Ų1537.6 Ų37.66%0.05918%0.18CC..Hα-helixtrans-60-44.9175-176.8-98.9000111.6V50 L51 F57 H58 W170 V196 F201 M221 I223V50-Y54 PolarHBondContact O-N 3.03Å; L51-Y54 WeakPolarHBondContact O-CB 3.35Å; L51-Y54 PolarHBondContact O-N 3.31Å; Y54-F57 PolarHBondContact O-N 2.87Å; Y54-H58 AromaticContact CD2-CD2 3.78Å; Y54-H58 AromaticContact CE1-CD2 3.71Å; Y54-H58 AromaticContact CE2-CD2 3.32Å; Y54-H58 WeakPolarHBondContact CE2-CD2 3.47Å; Y54-H58 AromaticContact CE2-NE2 3.26Å; Y54-H58 VanDerWaalsContact CE2-NE2 3.26Å; Y54-H58 WeakPolarHBondContact CE2-NE2 3.46Å; Y54-H58 AromaticContact CZ-CD2 3.27Å; Y54-H58 AromaticContact CZ-NE2 3.44Å; Y54-H58 PolarHBondContact O-CD2 3.48Å; Y54-H58 PolarHBondContact O-N 3.31Å; Y54-H58 PolarHBondContact OH-NE2 3.05Å; Y54-W170 HydrophobicContact CD1-CD2 4.33Å; Y54-W170 AromaticContact CD1-CE3 3.88Å; Y54-W170 HydrophobicContact CD1-CE3 3.88Å; Y54-W170 HydrophobicContact CD1-CZ3 4.24Å; Y54-W170 AromaticContact CE1-CD2 3.74Å; Y54-W170 HydrophobicContact CE1-CD2 3.74Å; Y54-W170 AromaticContact CE1-CE3 3.6Å; Y54-W170 HydrophobicContact CE1-CE3 3.6Å; Y54-W170 HydrophobicContact CE1-CG 4.28Å; Y54-W170 HydrophobicContact CE1-CH2 4.25Å; Y54-W170 HydrophobicContact CE1-CZ2 4.38Å; Y54-W170 AromaticContact CE1-CZ3 3.86Å; Y54-W170 HydrophobicContact CE1-CZ3 3.86Å; Y54-V196 HydrophobicContact CE2-CG1 4Å; Y54-F201 HydrophobicContact CD2-CB 4.44Å; Y54-F201 AromaticContact CD2-CD1 3.79Å; Y54-F201 HydrophobicContact CD2-CD1 3.79Å; Y54-F201 HydrophobicContact CD2-CD2 4.14Å; Y54-F201 AromaticContact CD2-CE1 3.92Å; Y54-F201 HydrophobicContact CD2-CE1 3.92Å; Y54-F201 HydrophobicContact CD2-CE2 4.27Å; Y54-F201 AromaticContact CD2-CG 3.89Å; Y54-F201 HydrophobicContact CD2-CG 3.89Å; Y54-F201 HydrophobicContact CD2-CZ 4.15Å; Y54-F201 HydrophobicContact CE2-CD1 4.41Å; Y54-M221 HydrophobicContact CD1-CE 3.42Å; Y54-M221 VanDerWaalsContact CD1-CE 3.42Å; Y54-M221 HydrophobicContact CD2-CE 4.1Å; Y54-M221 HydrophobicContact CD2-CG 4.39Å; Y54-M221 HydrophobicContact CE1-CE 3.59Å; Y54-M221 HydrophobicContact CE2-CE 4.26Å; Y54-M221 HydrophobicContact CG-CE 3.69Å; Y54-M221 HydrophobicContact CG-SD 4.37Å; Y54-I223 WeakPolarHBondContact OH-CD1 3.37Å
55L97.9Very high95.2Very high0 Ų039.6 Ų39.60%019%0.186CC..Hα-helixtrans-60.8-44.6174.5-72.9165.8000112.1L51 A52 Q53 F57 H58 R59 L62 P77 L80 A81 L139 W170L51-L55 HydrophobicContact CG-CD1 4.48Å; L51-L55 WeakPolarHBondContact O-CG 3.47Å; L51-L55 PolarHBondContact O-N 2.88Å; A52-L55 PolarHBondContact O-N 2.85Å; Q53-L55 VanDerWaalsContact C-N 3.33Å; Q53-L55 PolarHBondContact O-N 2.84Å; L55-F57 VanDerWaalsContact C-N 3.35Å; L55-H58 CarbonylContact O-C 3.54Å; L55-H58 PolarHBondContact O-N 2.97Å; L55-R59 WeakPolarHBondContact O-CA 3.33Å; L55-R59 PolarHBondContact O-N 3.32Å; L55-L62 HydrophobicContact CB-CD1 4.04Å; L55-L62 HydrophobicContact CD2-CD1 3.78Å; L55-L62 HydrophobicContact CD2-CD2 3.81Å; L55-L62 HydrophobicContact CD2-CG 4.44Å; L55-P77 HydrophobicContact CD1-CB 3.74Å; L55-P77 WeakPolarHBondContact CD1-O 3.37Å; L55-L80 HydrophobicContact CB-CD2 3.51Å; L55-L80 HydrophobicContact CD1-CD2 4.48Å; L55-A81 HydrophobicContact CD1-CB 4.33Å; L55-A81 HydrophobicContact CD2-CB 4.38Å; L55-L139 HydrophobicContact CD1-CD1 3.83Å; L55-L139 HydrophobicContact CD1-CD2 4.34Å; L55-L139 HydrophobicContact CD2-CD1 4.4Å; L55-L139 HydrophobicContact CD2-CD2 3.95Å; L55-W170 HydrophobicContact CD2-CE3 3.82Å; L55-W170 HydrophobicContact CD2-CZ3 3.78Å
56W97.1Very high95.7Very high15 Ų1536.6 Ų36.66%0.05718%0.175CC..Hα-helixtrans-62.5-41.5176.8176.2-110.3000112F18 K19 E26 L28 A52 Q53 H58 R59 L80F18-W56 HydrophobicContact CB-CB 3.99Å; F18-W56 HydrophobicContact CB-CD2 3.88Å; F18-W56 HydrophobicContact CB-CG 3.53Å; F18-W56 HydrophobicContact CD1-CB 4.32Å; F18-W56 HydrophobicContact CG-CB 4.31Å; F18-W56 HydrophobicContact CG-CG 4.37Å; K19-W56 PolarHBondContact O-NE1 3.5Å; E26-W56 HydrophobicContact CG-CH2 3.99Å; E26-W56 HydrophobicContact CG-CZ2 4.01Å; L28-W56 HydrophobicContact CB-CE3 3.75Å; L28-W56 HydrophobicContact CB-CH2 3.65Å; L28-W56 HydrophobicContact CB-CZ2 4.4Å; L28-W56 HydrophobicContact CB-CZ3 3.28Å; L28-W56 HydrophobicContact CD2-CE3 3.93Å; L28-W56 HydrophobicContact CD2-CZ3 3.82Å; L28-W56 HydrophobicContact CG-CZ3 4.18Å; A52-W56 WeakPolarHBondContact O-CB 3.48Å; A52-W56 PolarHBondContact O-N 2.93Å; Q53-W56 PolarHBondContact O-N 3.27Å; W56-H58 VanDerWaalsContact C-N 3.29Å; W56-H58 PolarHBondContact O-N 3.41Å; W56-R59 HydrophobicContact CE3-CB 4.39Å; W56-R59 VanDerWaalsContact O-CB 3.25Å; W56-R59 WeakPolarHBondContact O-CB 3.4Å; W56-R59 WeakPolarHBondContact O-CD 3.25Å; W56-R59 VanDerWaalsContact O-CG 3.3Å; W56-R59 WeakPolarHBondContact O-CG 3.37Å; W56-R59 PolarHBondContact O-N 3.33Å; W56-L80 HydrophobicContact CB-CD1 4.4Å; W56-L80 HydrophobicContact CB-CD2 4.26Å
57F95.8Very high96.1Very high81 Ų8135.3 Ų35.336%0.35517%0.167SC..Hα-helixtrans-63.5-36.1176.5-175.2-93000112.1Q53 Y54 L55 D200 F201Q53-F57 WeakPolarHBondContact O-CB 3.47Å; Q53-F57 PolarHBondContact O-N 2.92Å; Y54-F57 PolarHBondContact O-N 2.87Å; L55-F57 VanDerWaalsContact C-N 3.35Å; F57-D200 VanDerWaalsContact CZ-O 3.22Å; F57-D200 WeakPolarHBondContact CZ-O 3.45Å; F57-F201 HydrophobicContact CB-CB 3.86Å; F57-F201 HydrophobicContact CD1-CB 3.83Å; F57-F201 HydrophobicContact CD2-CB 3.96Å; F57-F201 HydrophobicContact CE1-CB 4.33Å; F57-F201 HydrophobicContact CE2-CB 4.45Å; F57-F201 HydrophobicContact CG-CB 3.61Å
58H95.7Very high96.4Very high38 Ų3835.3 Ų35.318%0.17617%0.167CC..THydrogen-bonded Turntrans-99.117.1178.5-68.8-71.2000114.6Y54 L55 W56 D60 Q61Y54-H58 AromaticContact CD2-CD2 3.78Å; Y54-H58 AromaticContact CE1-CD2 3.71Å; Y54-H58 AromaticContact CE2-CD2 3.32Å; Y54-H58 WeakPolarHBondContact CE2-CD2 3.47Å; Y54-H58 AromaticContact CE2-NE2 3.26Å; Y54-H58 VanDerWaalsContact CE2-NE2 3.26Å; Y54-H58 WeakPolarHBondContact CE2-NE2 3.46Å; Y54-H58 AromaticContact CZ-CD2 3.27Å; Y54-H58 AromaticContact CZ-NE2 3.44Å; Y54-H58 PolarHBondContact O-CD2 3.48Å; Y54-H58 PolarHBondContact O-N 3.31Å; Y54-H58 PolarHBondContact OH-NE2 3.05Å; L55-H58 CarbonylContact O-C 3.54Å; L55-H58 PolarHBondContact O-N 2.97Å; W56-H58 VanDerWaalsContact C-N 3.29Å; W56-H58 PolarHBondContact O-N 3.41Å; H58-D60 PolarHBondContact O-N 2.87Å; H58-Q61 PolarHBondContact ND1-NE2 3.08Å; H58-Q61 WeakPolarHBondContact O-CB 3.38Å; H58-Q61 PolarHBondContact O-N 2.89Å
59R96.1Very high96.6Very high32 Ų3235 Ų3512%0.12116%0.164CC..G310 helixtrans-47.8-36.5-173.968.7-42.7-154-60.3-4.9116.2D20 E26 L55 W56 Q61 L62 C84D20-R59 IonicContact OD2-CZ 3.81Å; D20-R59 IonicContact OD2-NH2 2.72Å; D20-R59 PolarHBondContact OD2-NH2 3.41Å; E26-R59 VanDerWaalsContact CD-NH2 3.29Å; E26-R59 IonicContact OE1-CZ 3.56Å; E26-R59 IonicContact OE1-NH1 3.2Å; E26-R59 PolarHBondContact OE1-NH1 2.9Å; E26-R59 IonicContact OE1-NH2 2.68Å; E26-R59 PolarHBondContact OE1-NH2 2.78Å; E26-R59 IonicContact OE2-CZ 3.59Å; E26-R59 IonicContact OE2-NH1 3.7Å; E26-R59 IonicContact OE2-NH2 3.45Å; E26-R59 PolarHBondContact OE2-NH2 3.25Å; L55-R59 WeakPolarHBondContact O-CA 3.33Å; L55-R59 PolarHBondContact O-N 3.32Å; W56-R59 HydrophobicContact CE3-CB 4.39Å; W56-R59 VanDerWaalsContact O-CB 3.25Å; W56-R59 WeakPolarHBondContact O-CB 3.4Å; W56-R59 WeakPolarHBondContact O-CD 3.25Å; W56-R59 VanDerWaalsContact O-CG 3.3Å; W56-R59 WeakPolarHBondContact O-CG 3.37Å; W56-R59 PolarHBondContact O-N 3.33Å; R59-Q61 PolarHBondContact O-N 3.27Å; R59-L62 WeakPolarHBondContact O-CB 3.45Å; R59-L62 PolarHBondContact O-N 3.43Å; R59-C84 HydrophobicContact CB-CB 4.27Å
60D94.3Very high96.7Very high121 Ų12135 Ų3565%0.64716%0.164SC*.G310 helixtrans-65.9-26.1-178.8-61.8-31.1000112.3H58H58-D60 PolarHBondContact O-N 2.87Å
61Q94.4Very high96.8Very high112 Ų11235.7 Ų35.752%0.52317%0.172SC..G310 helixtrans-84.2-12.6178.2-54.1179.533.600112.1H58 R59 R65H58-Q61 PolarHBondContact ND1-NE2 3.08Å; H58-Q61 WeakPolarHBondContact O-CB 3.38Å; H58-Q61 PolarHBondContact O-N 2.89Å; R59-Q61 PolarHBondContact O-N 3.27Å; Q61-R65 WeakPolarHBondContact O-CD 3.5Å; Q61-R65 VanDerWaalsContact O-CG 3.32Å; Q61-R65 WeakPolarHBondContact O-CG 3.41Å
62L95.6Very high96.7Very high0 Ų036.2 Ų36.20%018%0.176CC..THydrogen-bonded Turntrans-82.7-25.3-175.4-65.8-179.2000113.2L55 R59 G64 R65 A81 C84 A86 W170L55-L62 HydrophobicContact CB-CD1 4.04Å; L55-L62 HydrophobicContact CD2-CD1 3.78Å; L55-L62 HydrophobicContact CD2-CD2 3.81Å; L55-L62 HydrophobicContact CD2-CG 4.44Å; R59-L62 WeakPolarHBondContact O-CB 3.45Å; R59-L62 PolarHBondContact O-N 3.43Å; L62-G64 PolarHBondContact O-N 3.23Å; L62-G64 VanDerWaalsContact O-N 3.11Å; L62-R65 WeakPolarHBondContact O-CB 3.15Å; L62-R65 PolarHBondContact O-N 3.06Å; L62-A81 HydrophobicContact CD1-CB 4.28Å; L62-C84 HydrophobicContact CB-CB 4.23Å; L62-C84 HydrophobicContact CD1-CB 3.92Å; L62-A86 HydrophobicContact CB-CB 4.36Å; L62-A86 WeakPolarHBondContact O-CA 3.5Å; L62-A86 WeakPolarHBondContact O-CB 3.42Å; L62-W170 HydrophobicContact CD2-CH2 4.36Å; L62-W170 HydrophobicContact CD2-CZ3 3.97Å
63R96.4Very high96.4Very high205 Ų20536.5 Ų36.577%0.77418%0.179SC*.THydrogen-bonded Turntrans-57119.4-173.4-170.7179.4179.197.10.6111.3R65R63-R65 PolarHBondContact O-N 3.08Å
64G96.1Very high96.2Very high41 Ų4136 Ų3642%0.42318%0.177SC..THydrogen-bonded Turntrans79.6-11.2178.600000115.9L62 G85 R87L62-G64 PolarHBondContact O-N 3.23Å; L62-G64 VanDerWaalsContact O-N 3.11Å; G64-G85 PolarHBondContact N-O 2.91Å; G64-R87 PolarHBondContact O-NE 3.41Å; G64-R87 PolarHBondContact O-NH2 2.83Å
65R97.7Very high96.1Very high55 Ų5535.3 Ų35.321%0.20817%0.174CC..  trans-66.1140.3177.1-69.3-168.476.3-173.94.7111Q61 L62 R63 V67 R87 D136 V137Q61-R65 WeakPolarHBondContact O-CD 3.5Å; Q61-R65 VanDerWaalsContact O-CG 3.32Å; Q61-R65 WeakPolarHBondContact O-CG 3.41Å; L62-R65 WeakPolarHBondContact O-CB 3.15Å; L62-R65 PolarHBondContact O-N 3.06Å; R63-R65 PolarHBondContact O-N 3.08Å; R65-V67 HydrophobicContact CB-CG2 4.46Å; R65-R87 PolarHBondContact O-N 3.33Å; R65-D136 WeakPolarHBondContact CA-OD2 3.17Å; R65-D136 HydrophobicContact CB-CB 4.15Å; R65-D136 HydrophobicContact CG-CB 4.38Å; R65-D136 PolarHBondContact NH2-O 3.33Å; R65-V137 VanDerWaalsContact NH1-CG2 3.26Å; R65-V137 VanDerWaalsContact NH2-CG2 3.26Å
66A98.2Very high96Very high1 Ų135.3 Ų35.31%0.00818%0.175CC..EExtended strand (participates in β ladder)trans-76.8125169.300000109.5R87 P134 D136 V137A66-R87 WeakPolarHBondContact CA-O 3.47Å; A66-P134 WeakPolarHBondContact CB-O 3.16Å; A66-D136 PolarHBondContact N-OD2 2.95Å; A66-D136 PolarHBondContact O-N 3Å; A66-V137 PolarHBondContact O-N 3.2Å; A66-V137 VanDerWaalsContact O-N 3.12Å
67V98.6Very high96.1Very high0 Ų034.7 Ų34.70%017%0.172CC..EExtended strand (participates in β ladder)trans-129.1127.1-176.3-179.70000109.6R65 A86 R87 V88 S89 Q135 V137 L139R65-V67 HydrophobicContact CB-CG2 4.46Å; V67-A86 HydrophobicContact CB-CB 4.45Å; V67-A86 HydrophobicContact CG2-CB 3.74Å; V67-R87 PolarHBondContact N-O 2.94Å; V67-V88 HydrophobicContact CB-CG2 4.18Å; V67-V88 CarbonylContact O-C 3.57Å; V67-V88 VanDerWaalsContact O-CA 3.29Å; V67-V88 WeakPolarHBondContact O-CA 3.4Å; V67-S89 PolarHBondContact O-N 2.8Å; V67-Q135 VanDerWaalsContact C-OE1 3.29Å; V67-V137 VanDerWaalsContact CA-O 3.32Å; V67-V137 WeakPolarHBondContact CA-O 3.17Å; V67-V137 HydrophobicContact CG2-CB 4.25Å; V67-L139 HydrophobicContact CG1-CD1 3.47Å; V67-L139 VanDerWaalsContact CG1-CD1 3.47Å; V67-L139 HydrophobicContact CG1-CD2 4.35Å; V67-L139 HydrophobicContact CG1-CG 3.6Å
68L98.6Very high96.2Very high0 Ų030.8 Ų30.80%016%0.155CC..EExtended strand (participates in β ladder)trans-111.9129.5170.1176.170.6000109.2L70 S89 L118 L120 L132 Q135 V137 V138 L139 L160L68-L70 HydrophobicContact CD2-CD2 3.79Å; L68-L70 HydrophobicContact CG-CD2 4.22Å; L68-S89 CarbonylContact C-O 3.58Å; L68-S89 WeakPolarHBondContact CA-O 3.28Å; L68-L118 HydrophobicContact CD1-CD2 4.28Å; L68-L120 HydrophobicContact CD2-CD1 4.47Å; L68-L132 HydrophobicContact CD1-CD1 3.96Å; L68-L132 HydrophobicContact CD2-CD1 3.79Å; L68-L132 HydrophobicContact CG-CD1 4.48Å; L68-Q135 HydrophobicContact CB-CG 3.91Å; L68-V137 PolarHBondContact N-O 3.05Å; L68-V137 VanDerWaalsContact N-O 3.07Å; L68-V138 CarbonylContact O-C 3.51Å; L68-V138 VanDerWaalsContact O-CA 3.27Å; L68-V138 WeakPolarHBondContact O-CA 3.25Å; L68-L139 PolarHBondContact O-N 2.72Å; L68-L160 HydrophobicContact CD2-CD1 3.58Å; L68-L160 HydrophobicContact CD2-CD2 4.15Å
69E98.6Very high96.3Very high0 Ų029 Ų290%015%0.147CC..EExtended strand (participates in β ladder)trans-101.3121.9169.6-174.3168.7-152.700110.8A72 P77 G78 S89 L90 S91 L139E69-A72 HydrophobicContact CB-CB 4.28Å; E69-A72 HydrophobicContact CG-CB 3.82Å; E69-P77 VanDerWaalsContact OE1-CB 3.32Å; E69-P77 WeakPolarHBondContact OE1-CB 3.5Å; E69-P77 WeakPolarHBondContact OE1-CD 3.49Å; E69-P77 WeakPolarHBondContact OE1-CG 3.48Å; E69-G78 WeakPolarHBondContact OE2-CA 3.38Å; E69-G78 PolarHBondContact OE2-N 3.5Å; E69-S89 PolarHBondContact N-O 3.37Å; E69-L90 HydrophobicContact CB-CD2 4.03Å; E69-L90 WeakPolarHBondContact OE2-CD2 3.36Å; E69-S91 WeakPolarHBondContact O-CA 3.48Å; E69-S91 WeakPolarHBondContact O-CB 3.33Å; E69-S91 PolarHBondContact O-N 2.81Å; E69-S91 PolarHBondContact O-OG 3.48Å; E69-L139 HydrophobicContact CB-CB 4.07Å; E69-L139 HydrophobicContact CG-CB 4Å
70L98.2Very high96.4Very high0 Ų027.5 Ų27.50%014%0.141CC..SBendtrans-90.4132.6173.7-60.8-179.2000109.8L68 L120 V138 L139 V143 T156 F169L68-L70 HydrophobicContact CD2-CD2 3.79Å; L68-L70 HydrophobicContact CG-CD2 4.22Å; L70-L120 HydrophobicContact CD2-CD1 4.25Å; L70-L120 HydrophobicContact CD2-CD2 4.14Å; L70-V138 HydrophobicContact CD1-CG1 3.71Å; L70-V138 HydrophobicContact CG-CG1 3.75Å; L70-L139 PolarHBondContact N-O 2.8Å; L70-V143 WeakPolarHBondContact O-CG1 3.42Å; L70-T156 HydrophobicContact CD1-CG2 4.08Å; L70-T156 HydrophobicContact CD2-CG2 3.98Å; L70-F169 HydrophobicContact CD1-CZ 4.28Å
71G96.1Very high96.6Very high17 Ų1721.7 Ų21.718%0.17511%0.11CC..SBendtrans61.546.7-179.300000112.4G73 S91G71-G73 VanDerWaalsContact C-N 3.28Å; G71-G73 PolarHBondContact O-N 3.11Å; G71-S91 PolarHBondContact N-O 2.75Å
72A95.6Very high96.8Very high11 Ų1117 Ų179%0.0919%0.09CC..  trans-63.5-31.6-171.100000112.8E69 V74 G75 L90 S91 D92E69-A72 HydrophobicContact CB-CB 4.28Å; E69-A72 HydrophobicContact CG-CB 3.82Å; A72-V74 PolarHBondContact O-N 2.93Å; A72-G75 WeakPolarHBondContact O-CA 3.26Å; A72-G75 PolarHBondContact O-N 3.18Å; A72-L90 HydrophobicContact CB-CB 4.03Å; A72-L90 HydrophobicContact CB-CD2 4.41Å; A72-S91 WeakPolarHBondContact CB-O 3.19Å; A72-S91 PolarHBondContact N-O 3.07Å; A72-D92 PolarHBondContact N-OD2 3.44Å
73G91.5Very high96.9Very high6 Ų621.7 Ų21.76%0.06211%0.108CC..THydrogen-bonded Turntrans52.7-112.9-170.800000111.1G41 G71 G75 D92G41-G73 CarbonylContact O-C 3.33Å; G41-G73 WeakPolarHBondContact O-CA 3.47Å; G71-G73 VanDerWaalsContact C-N 3.28Å; G71-G73 PolarHBondContact O-N 3.11Å; G73-G75 VanDerWaalsContact C-N 3.32Å; G73-D92 WeakPolarHBondContact CA-OD2 3.44Å; G73-D92 PolarHBondContact N-OD2 3.12Å
74V90.9Very high97Very high5 Ų513 Ų133%0.038%0.078CC..THydrogen-bonded Turntrans-79.2-9174.8-60.90000114.3I32 G41 M42 V44 A72 S106I32-V74 HydrophobicContact CG2-CB 3.59Å; I32-V74 HydrophobicContact CG2-CG1 4.37Å; I32-V74 HydrophobicContact CG2-CG2 3.63Å; G41-V74 WeakPolarHBondContact O-CG1 3.3Å; G41-V74 PolarHBondContact O-N 2.63Å; M42-V74 VanDerWaalsContact C-CG1 3.44Å; V44-V74 HydrophobicContact CB-CG2 4.5Å; V44-V74 HydrophobicContact CG2-CG2 3.6Å; A72-V74 PolarHBondContact O-N 2.93Å; V74-S106 WeakPolarHBondContact O-CB 3.47Å; V74-S106 PolarHBondContact O-OG 2.64Å
75G94.6Very high97Very high1 Ų112.6 Ų12.61%0.017%0.074CC..  trans75.72616500000116.6A72 G73 G78 V79A72-G75 WeakPolarHBondContact O-CA 3.26Å; A72-G75 PolarHBondContact O-N 3.18Å; G73-G75 VanDerWaalsContact C-N 3.32Å; G75-G78 PolarHBondContact O-N 3.12Å; G75-V79 VanDerWaalsContact O-CB 3.25Å; G75-V79 WeakPolarHBondContact O-CB 3.4Å; G75-V79 WeakPolarHBondContact O-CG2 3.44Å; G75-V79 PolarHBondContact O-N 3.39Å
76L96.9Very high97.1Very high1 Ų110.5 Ų10.51%0.0057%0.069CC..Hα-helixtrans-53.8-50.9-178.4171.764.8000113.3F16 F18 V30 I32 V44 V49 A52 L80F16-L76 HydrophobicContact CB-CD1 4.21Å; F16-L76 HydrophobicContact CD1-CD2 4.1Å; F16-L76 HydrophobicContact CD2-CD1 4.03Å; F16-L76 HydrophobicContact CD2-CD2 4.2Å; F16-L76 HydrophobicContact CE1-CD2 4.26Å; F16-L76 HydrophobicContact CE2-CD2 4.38Å; F16-L76 HydrophobicContact CG-CD1 4.16Å; F16-L76 HydrophobicContact CG-CD2 4.07Å; F16-L76 HydrophobicContact CZ-CD2 4.4Å; F18-L76 HydrophobicContact CE2-CD1 4.3Å; F18-L76 HydrophobicContact CZ-CD1 4.35Å; F18-L76 HydrophobicContact CZ-CD2 4.47Å; V30-L76 HydrophobicContact CB-CD1 4.12Å; V30-L76 HydrophobicContact CG1-CD1 3.88Å; I32-L76 HydrophobicContact CD1-CB 4.12Å; I32-L76 HydrophobicContact CD1-CD1 4.11Å; I32-L76 HydrophobicContact CG1-CB 4.08Å; I32-L76 HydrophobicContact CG1-CD1 3.81Å; I32-L76 HydrophobicContact CG1-CG 4.49Å; V44-L76 HydrophobicContact CG1-CD2 3.55Å; V44-L76 HydrophobicContact CG2-CB 4.29Å; V44-L76 HydrophobicContact CG2-CD2 4.29Å; V49-L76 HydrophobicContact CG2-CD2 4.15Å; A52-L76 HydrophobicContact CB-CD2 4.33Å; A52-L76 HydrophobicContact CB-CG 4.06Å; L76-L80 WeakPolarHBondContact O-CB 3.27Å; L76-L80 PolarHBondContact O-N 2.95Å
77P98.2Very high97Very high1 Ų117.2 Ų17.21%0.0069%0.094CC..Hα-helixtrans-61.4-49179.3-21.232.6000112.7A48 L51 L55 E69 L80 A81 L139A48-P77 HydrophobicContact CB-CG 4.09Å; L51-P77 HydrophobicContact CB-CB 4.5Å; L51-P77 HydrophobicContact CB-CG 4.29Å; L51-P77 HydrophobicContact CD2-CB 4.04Å; L51-P77 HydrophobicContact CD2-CG 4.12Å; L51-P77 HydrophobicContact CG-CB 4.12Å; L51-P77 HydrophobicContact CG-CG 4.35Å; L55-P77 HydrophobicContact CD1-CB 3.74Å; L55-P77 WeakPolarHBondContact CD1-O 3.37Å; E69-P77 VanDerWaalsContact OE1-CB 3.32Å; E69-P77 WeakPolarHBondContact OE1-CB 3.5Å; E69-P77 WeakPolarHBondContact OE1-CD 3.49Å; E69-P77 WeakPolarHBondContact OE1-CG 3.48Å; P77-L80 PolarHBondContact O-N 3.18Å; P77-A81 PolarHBondContact O-N 3.13Å; P77-L139 HydrophobicContact CB-CD1 4.25Å
78G98.3Very high97Very high0 Ų017.5 Ų17.50%010%0.096CC..Hα-helixtrans-65.7-39.4-179.800000113.1E69 G75 L80 A81 A82E69-G78 WeakPolarHBondContact OE2-CA 3.38Å; E69-G78 PolarHBondContact OE2-N 3.5Å; G75-G78 PolarHBondContact O-N 3.12Å; G78-L80 VanDerWaalsContact C-N 3.34Å; G78-L80 PolarHBondContact O-N 3.46Å; G78-A81 PolarHBondContact O-N 3.09Å; G78-A82 WeakPolarHBondContact O-CB 3.27Å; G78-A82 PolarHBondContact O-N 3.24Å
79V98.3Very high97Very high0 Ų018.7 Ų18.70%010%0.104CC..Hα-helixtrans-62.7-41.8174169.60000111V30 G75 A82 R83 L90 N110 L112V30-V79 HydrophobicContact CG1-CB 4.2Å; V30-V79 HydrophobicContact CG1-CG1 3.4Å; G75-V79 VanDerWaalsContact O-CB 3.25Å; G75-V79 WeakPolarHBondContact O-CB 3.4Å; G75-V79 WeakPolarHBondContact O-CG2 3.44Å; G75-V79 PolarHBondContact O-N 3.39Å; V79-A82 PolarHBondContact O-N 2.77Å; V79-R83 WeakPolarHBondContact O-CG 3.47Å; V79-R83 PolarHBondContact O-N 3.09Å; V79-L90 HydrophobicContact CG2-CD1 4.48Å; V79-N110 HydrophobicContact CG1-CB 3.89Å; V79-N110 WeakPolarHBondContact CG1-ND2 3.35Å; V79-L112 HydrophobicContact CB-CD1 4.33Å; V79-L112 HydrophobicContact CG1-CD1 3.82Å; V79-L112 HydrophobicContact CG2-CD1 4.42Å
80L98.3Very high97Very high0 Ų018.7 Ų18.70%010%0.104CC..Hα-helixtrans-63.3-46.1174.8-177.1136.6000111.4F18 L28 V30 A52 L55 W56 L76 P77 G78 A82 R83 C84F18-L80 HydrophobicContact CB-CD1 4.45Å; F18-L80 HydrophobicContact CD1-CD1 4.15Å; F18-L80 HydrophobicContact CD2-CD1 3.22Å; F18-L80 HydrophobicContact CE1-CD1 4.23Å; F18-L80 HydrophobicContact CE2-CD1 3.31Å; F18-L80 HydrophobicContact CG-CD1 3.68Å; F18-L80 HydrophobicContact CZ-CD1 3.84Å; L28-L80 HydrophobicContact CD2-CD1 4.24Å; L28-L80 HydrophobicContact CD2-CG 4.03Å; V30-L80 HydrophobicContact CG2-CB 4.17Å; V30-L80 HydrophobicContact CG2-CD1 4.28Å; V30-L80 HydrophobicContact CG2-CG 4.49Å; A52-L80 HydrophobicContact CB-CD1 4.27Å; A52-L80 WeakPolarHBondContact O-CD2 3.29Å; L55-L80 HydrophobicContact CB-CD2 3.51Å; L55-L80 HydrophobicContact CD1-CD2 4.48Å; W56-L80 HydrophobicContact CB-CD1 4.4Å; W56-L80 HydrophobicContact CB-CD2 4.26Å; L76-L80 WeakPolarHBondContact O-CB 3.27Å; L76-L80 PolarHBondContact O-N 2.95Å; P77-L80 PolarHBondContact O-N 3.18Å; G78-L80 VanDerWaalsContact C-N 3.34Å; G78-L80 PolarHBondContact O-N 3.46Å; L80-A82 VanDerWaalsContact C-N 3.28Å; L80-A82 PolarHBondContact O-N 3.17Å; L80-R83 WeakPolarHBondContact O-CB 3.32Å; L80-R83 PolarHBondContact O-N 3.32Å; L80-R83 VanDerWaalsContact O-N 3.09Å; L80-C84 PolarHBondContact O-N 2.98Å; L80-C84 PolarHBondContact O-SG 3.05Å; L80-C84 VanDerWaalsContact O-SG 3.4Å
81A98.4Very high96.9Very high0 Ų018.8 Ų18.80%010%0.104CC..Hα-helixtrans-58.1-41.3177.100000111.9L55 L62 P77 G78 C84 G85 A86 V88 L139L55-A81 HydrophobicContact CD1-CB 4.33Å; L55-A81 HydrophobicContact CD2-CB 4.38Å; L62-A81 HydrophobicContact CD1-CB 4.28Å; P77-A81 PolarHBondContact O-N 3.13Å; G78-A81 PolarHBondContact O-N 3.09Å; A81-C84 CarbonylContact O-C 3.46Å; A81-C84 WeakPolarHBondContact O-CB 3.34Å; A81-C84 PolarHBondContact O-N 3.24Å; A81-C84 VanDerWaalsContact O-N 3.17Å; A81-G85 PolarHBondContact O-N 3.32Å; A81-A86 HydrophobicContact CB-CB 4.21Å; A81-A86 VanDerWaalsContact O-CB 3.27Å; A81-A86 WeakPolarHBondContact O-CB 3.19Å; A81-A86 PolarHBondContact O-N 3.43Å; A81-V88 HydrophobicContact CB-CG2 4.02Å; A81-L139 HydrophobicContact CB-CD1 4.5Å
82A98.3Very high96.9Very high12 Ų1218.5 Ų18.510%0.09910%0.099CC..Hα-helixtrans-64.1-41.117600000111.8G78 V79 L80 C84 G85 V88 L112 V115G78-A82 WeakPolarHBondContact O-CB 3.27Å; G78-A82 PolarHBondContact O-N 3.24Å; V79-A82 PolarHBondContact O-N 2.77Å; L80-A82 VanDerWaalsContact C-N 3.28Å; L80-A82 PolarHBondContact O-N 3.17Å; A82-C84 PolarHBondContact O-N 3.5Å; A82-G85 WeakPolarHBondContact O-CA 3.28Å; A82-G85 PolarHBondContact O-N 2.83Å; A82-V88 HydrophobicContact CB-CB 4.1Å; A82-V88 HydrophobicContact CB-CG2 3.67Å; A82-L112 HydrophobicContact CB-CD1 3.63Å; A82-L112 HydrophobicContact CB-CD2 3.97Å; A82-L112 HydrophobicContact CB-CG 4.41Å; A82-V115 HydrophobicContact CB-CG2 3.78Å
83R97.8Very high96.9Very high100 Ų10018.4 Ų18.438%0.37710%0.099SC..Hα-helixtrans-65.6-26.2174.3-70.5-70.8-65.1-76.5-2.8112.8L28 S29 V79 L80 G85 N110 L112L28-R83 HydrophobicContact CD1-CB 4.08Å; L28-R83 HydrophobicContact CD2-CB 3.81Å; L28-R83 HydrophobicContact CG-CB 4.49Å; S29-R83 PolarHBondContact O-NH1 3.42Å; S29-R83 PolarHBondContact O-NH2 2.96Å; V79-R83 WeakPolarHBondContact O-CG 3.47Å; V79-R83 PolarHBondContact O-N 3.09Å; L80-R83 WeakPolarHBondContact O-CB 3.32Å; L80-R83 PolarHBondContact O-N 3.32Å; L80-R83 VanDerWaalsContact O-N 3.09Å; R83-G85 PolarHBondContact O-N 3.12Å; R83-N110 PolarHBondContact NH1-OD1 3.35Å; R83-N110 VanDerWaalsContact NH1-OD1 3.14Å; R83-L112 HydrophobicContact CG-CD1 4.35Å; R83-L112 HydrophobicContact CG-CD2 4.38Å
84C97.3Very high96.9Very high22 Ų2221.6 Ų21.615%0.14912%0.12CC..THydrogen-bonded Turntrans-80.51.1169.4-64.30000113.6R59 L62 L80 A81 A82R59-C84 HydrophobicContact CB-CB 4.27Å; L62-C84 HydrophobicContact CB-CB 4.23Å; L62-C84 HydrophobicContact CD1-CB 3.92Å; L80-C84 PolarHBondContact O-N 2.98Å; L80-C84 PolarHBondContact O-SG 3.05Å; L80-C84 VanDerWaalsContact O-SG 3.4Å; A81-C84 CarbonylContact O-C 3.46Å; A81-C84 WeakPolarHBondContact O-CB 3.34Å; A81-C84 PolarHBondContact O-N 3.24Å; A81-C84 VanDerWaalsContact O-N 3.17Å; A82-C84 PolarHBondContact O-N 3.5Å
85G97.4Very high97Very high33 Ų3327 Ų2734%0.3415%0.149SC..THydrogen-bonded Turntrans91.715.5174.800000115.3G64 A81 A82 R83G64-G85 PolarHBondContact N-O 2.91Å; A81-G85 PolarHBondContact O-N 3.32Å; A82-G85 WeakPolarHBondContact O-CA 3.28Å; A82-G85 PolarHBondContact O-N 2.83Å; R83-G85 PolarHBondContact O-N 3.12Å
86A98.1Very high96.8Very high11 Ų1130.7 Ų30.79%0.09116%0.163CC..  trans-72.4156.4168.800000111.8L62 V67 A81 V88L62-A86 HydrophobicContact CB-CB 4.36Å; L62-A86 WeakPolarHBondContact O-CA 3.5Å; L62-A86 WeakPolarHBondContact O-CB 3.42Å; V67-A86 HydrophobicContact CB-CB 4.45Å; V67-A86 HydrophobicContact CG2-CB 3.74Å; A81-A86 HydrophobicContact CB-CB 4.21Å; A81-A86 VanDerWaalsContact O-CB 3.27Å; A81-A86 WeakPolarHBondContact O-CB 3.19Å; A81-A86 PolarHBondContact O-N 3.43Å; A86-V88 HydrophobicContact CB-CG2 3.83Å; A86-V88 PolarHBondContact O-N 3.42Å
87R98.1Very high96.5Very high142 Ų14234.9 Ų34.954%0.53619%0.19SC..EExtended strand (participates in β ladder)trans-91.196.5169.5-65.9-178.3-64.2117.60.3108.5G64 R65 A66 V67G64-R87 PolarHBondContact O-NE 3.41Å; G64-R87 PolarHBondContact O-NH2 2.83Å; R65-R87 PolarHBondContact O-N 3.33Å; A66-R87 WeakPolarHBondContact CA-O 3.47Å; V67-R87 PolarHBondContact N-O 2.94Å
88V98.3Very high96.1Very high6 Ų641.6 Ų41.64%0.03622%0.215CC..EExtended strand (participates in β ladder)trans-99.6141.3-168.3-177.80000112.4V67 A81 A82 A86 L90 V115V67-V88 HydrophobicContact CB-CG2 4.18Å; V67-V88 CarbonylContact O-C 3.57Å; V67-V88 VanDerWaalsContact O-CA 3.29Å; V67-V88 WeakPolarHBondContact O-CA 3.4Å; A81-V88 HydrophobicContact CB-CG2 4.02Å; A82-V88 HydrophobicContact CB-CB 4.1Å; A82-V88 HydrophobicContact CB-CG2 3.67Å; A86-V88 HydrophobicContact CB-CG2 3.83Å; A86-V88 PolarHBondContact O-N 3.42Å; V88-L90 HydrophobicContact CG1-CD2 3.69Å; V88-L90 HydrophobicContact CG1-CG 4.4Å; V88-V115 HydrophobicContact CB-CG1 4.25Å; V88-V115 HydrophobicContact CB-CG2 4.33Å; V88-V115 HydrophobicContact CG1-CG1 4.15Å
89S97.8Very high95.7Very high24 Ų2441.6 Ų41.617%0.16822%0.216CC..EExtended strand (participates in β ladder)trans-122.2130.1160.1-61.20000109.1V67 L68 E69 G116V67-S89 PolarHBondContact O-N 2.8Å; L68-S89 CarbonylContact C-O 3.58Å; L68-S89 WeakPolarHBondContact CA-O 3.28Å; E69-S89 PolarHBondContact N-O 3.37Å; S89-G116 CarbonylContact C-O 3.53Å; S89-G116 WeakPolarHBondContact CA-O 3.34Å
90L98.1Very high95.5Very high1 Ų142.4 Ų42.41%0.00522%0.22CC..EExtended strand (participates in β ladder)trans-97.1141.9173.9-53.6-177.5000109.4E69 A72 V79 V88 C107 V115 G116 V117 L118E69-L90 HydrophobicContact CB-CD2 4.03Å; E69-L90 WeakPolarHBondContact OE2-CD2 3.36Å; A72-L90 HydrophobicContact CB-CB 4.03Å; A72-L90 HydrophobicContact CB-CD2 4.41Å; V79-L90 HydrophobicContact CG2-CD1 4.48Å; V88-L90 HydrophobicContact CG1-CD2 3.69Å; V88-L90 HydrophobicContact CG1-CG 4.4Å; L90-C107 VanDerWaalsContact CD1-SG 3.58Å; L90-V115 HydrophobicContact CD1-CG1 4.26Å; L90-V115 HydrophobicContact CG-CG1 3.86Å; L90-G116 PolarHBondContact N-O 3.17Å; L90-V117 HydrophobicContact CB-CG1 4.43Å; L90-V117 HydrophobicContact CB-CG2 4.24Å; L90-V117 HydrophobicContact CD1-CG2 4.31Å; L90-V117 WeakPolarHBondContact O-CA 3.48Å; L90-L118 WeakPolarHBondContact O-CD2 3.49Å; L90-L118 PolarHBondContact O-N 2.7Å
91S97.6Very high95.2Very high1 Ų145.9 Ų45.91%0.00724%0.236CC..EExtended strand (participates in β ladder)trans-138.8146.8177.1720000112.8E69 G71 A72 L118E69-S91 WeakPolarHBondContact O-CA 3.48Å; E69-S91 WeakPolarHBondContact O-CB 3.33Å; E69-S91 PolarHBondContact O-N 2.81Å; E69-S91 PolarHBondContact O-OG 3.48Å; G71-S91 PolarHBondContact N-O 2.75Å; A72-S91 WeakPolarHBondContact CB-O 3.19Å; A72-S91 PolarHBondContact N-O 3.07Å; S91-L118 VanDerWaalsContact CA-O 3.27Å; S91-L118 WeakPolarHBondContact CA-O 3.41Å
92D96.3Very high94.8Very high11 Ų1146.1 Ų46.16%0.05924%0.237CC..EExtended strand (participates in β ladder)trans-149.3174.2173.2-146.6-68.5000109.3A72 G73 S94 R96 C99 L100 L118 G119 L120A72-D92 PolarHBondContact N-OD2 3.44Å; G73-D92 WeakPolarHBondContact CA-OD2 3.44Å; G73-D92 PolarHBondContact N-OD2 3.12Å; D92-S94 PolarHBondContact O-N 3.15Å; D92-R96 WeakPolarHBondContact OD1-CD 3.42Å; D92-C99 HydrophobicContact CB-CB 4.11Å; D92-L100 HydrophobicContact CB-CD2 3.8Å; D92-L118 PolarHBondContact N-O 2.92Å; D92-G119 CarbonylContact O-C 3.57Å; D92-G119 WeakPolarHBondContact O-CA 3.41Å; D92-L120 CarbonylContact C-O 3.55Å; D92-L120 CarbonylContact O-C 3.54Å; D92-L120 PolarHBondContact O-N 2.78Å
93G94.6Very high94.6Very high10 Ų1045.6 Ų45.610%0.10323%0.233CC..  trans-49.2131.7-177.800000112.1D95 R96G93-D95 PolarHBondContact O-N 3.3Å; G93-R96 WeakPolarHBondContact O-CB 3.44Å; G93-R96 PolarHBondContact O-N 2.94Å
94S92.4Very high94.5Very high72 Ų7246.1 Ų46.150%0.50324%0.235SC..THydrogen-bonded Turntrans-63-24.6-177.960.70000112.8D92 R96 S121D92-S94 PolarHBondContact O-N 3.15Å; S94-R96 VanDerWaalsContact C-N 3.32Å; S94-S121 PolarHBondContact N-OG 3.43Å; S94-S121 PolarHBondContact OG-OG 3.48Å
95D91.9Very high94.3Very high120 Ų12050.6 Ų50.664%0.64225%0.249SC*.THydrogen-bonded Turntrans-84.51.4173.966.2-33.5000113.7G93 P97G93-D95 PolarHBondContact O-N 3.3Å; D95-P97 WeakPolarHBondContact O-CD 3.44Å
96R90.1Very high94.2Very high78 Ų7849 Ų4929%0.29423%0.233SC..  trans-112.564.8-178.3-58.2-173.3179.4-171.52.6112.7D92 G93 S94 R98 C99 L100D92-R96 WeakPolarHBondContact OD1-CD 3.42Å; G93-R96 WeakPolarHBondContact O-CB 3.44Å; G93-R96 PolarHBondContact O-N 2.94Å; S94-R96 VanDerWaalsContact C-N 3.32Å; R96-R98 PolarHBondContact O-N 2.89Å; R96-R98 VanDerWaalsContact O-N 3.11Å; R96-C99 HydrophobicContact CB-CB 4.02Å; R96-C99 WeakPolarHBondContact O-CB 3.42Å; R96-C99 PolarHBondContact O-N 3.37Å; R96-L100 PolarHBondContact O-N 3.39Å
97P91.1Very high94.2Very high89 Ų8948.7 Ų48.758%0.57823%0.23SC*.Hα-helixtrans-61-28.1-175.425.6-35.3000113.7D95 E101D95-P97 WeakPolarHBondContact O-CD 3.44Å; P97-E101 WeakPolarHBondContact O-CB 3.29Å; P97-E101 PolarHBondContact O-N 3.4Å
98R89.7Confident94.1Very high141 Ų14145.4 Ų45.453%0.53223%0.233SC..Hα-helixtrans-67.3-40175.2-69.4-173.6176.7-158.6-2.7112.6D37 M42 R96 E101 N102D37-R98 IonicContact OD2-NH1 3.65Å; D37-R98 PolarHBondContact OD2-NH1 3.17Å; M42-R98 HydrophobicContact CE-CB 4.38Å; M42-R98 HydrophobicContact SD-CB 4.39Å; R96-R98 PolarHBondContact O-N 2.89Å; R96-R98 VanDerWaalsContact O-N 3.11Å; R98-E101 PolarHBondContact O-N 2.83Å; R98-N102 WeakPolarHBondContact O-CB 3.48Å; R98-N102 PolarHBondContact O-N 2.91Å
99C89.6Confident94Very high1 Ų147.5 Ų47.51%0.00725%0.251CS..Hα-helixtrans-64.8-45.3175.6-67.70000110.3Y40 D92 R96 E101 N102 G103Y40-C99 PolarHBondContact O-SG 3.33Å; D92-C99 HydrophobicContact CB-CB 4.11Å; R96-C99 HydrophobicContact CB-CB 4.02Å; R96-C99 WeakPolarHBondContact O-CB 3.42Å; R96-C99 PolarHBondContact O-N 3.37Å; C99-E101 VanDerWaalsContact C-N 3.34Å; C99-E101 PolarHBondContact O-N 2.95Å; C99-N102 PolarHBondContact O-N 3.09Å; C99-G103 PolarHBondContact O-N 3.02Å
100L93.8Very high93.9Very high16 Ų1647.2 Ų47.28%0.08425%0.248CC..Hα-helixtrans-60.2-42.8176.1-58.5178.9000112.1D92 R96 G103 R104 V117 L118D92-L100 HydrophobicContact CB-CD2 3.8Å; R96-L100 PolarHBondContact O-N 3.39Å; L100-G103 PolarHBondContact O-N 2.93Å; L100-R104 WeakPolarHBondContact O-CG 3.28Å; L100-R104 PolarHBondContact O-N 3.24Å; L100-R104 VanDerWaalsContact O-N 3.14Å; L100-V117 HydrophobicContact CB-CG1 4.18Å; L100-V117 HydrophobicContact CD2-CG1 4.01Å; L100-V117 WeakPolarHBondContact O-CG1 3.49Å; L100-L118 VanDerWaalsContact CD2-O 3.28Å; L100-L118 WeakPolarHBondContact CD2-O 3.41Å
101E92.8Very high93.8Very high73 Ų7350 Ų5034%0.34128%0.276SS..Hα-helixtrans-64.8-39.9176.1179.354.6-158.100112.2P97 R98 C99 R104 R105P97-E101 WeakPolarHBondContact O-CB 3.29Å; P97-E101 PolarHBondContact O-N 3.4Å; R98-E101 PolarHBondContact O-N 2.83Å; C99-E101 VanDerWaalsContact C-N 3.34Å; C99-E101 PolarHBondContact O-N 2.95Å; E101-R104 WeakPolarHBondContact O-CB 3.37Å; E101-R104 PolarHBondContact O-N 3.5Å; E101-R104 IonicContact OE2-NH1 3.34Å; E101-R105 WeakPolarHBondContact O-CG 3.31Å; E101-R105 PolarHBondContact O-N 3.47Å; E101-R105 IonicContact OE1-CZ 3.18Å; E101-R105 IonicContact OE1-NE 2.91Å; E101-R105 PolarHBondContact OE1-NE 2.91Å; E101-R105 IonicContact OE1-NH2 3.97Å
102N90.1Very high93.8Very high5 Ų551.5 Ų51.53%0.02728%0.284CS..Hα-helixtrans-63.4-43.2174.2-85.50.2000112.7M42 R98 C99 R104 R105 S106M42-N102 WeakPolarHBondContact CE-ND2 3.3Å; M42-N102 PolarHBondContact SD-ND2 3.39Å; R98-N102 WeakPolarHBondContact O-CB 3.48Å; R98-N102 PolarHBondContact O-N 2.91Å; C99-N102 PolarHBondContact O-N 3.09Å; N102-R104 VanDerWaalsContact C-N 3.26Å; N102-R104 PolarHBondContact O-N 2.94Å; N102-R105 WeakPolarHBondContact O-CB 3.36Å; N102-R105 PolarHBondContact O-N 3.02Å; N102-R105 VanDerWaalsContact O-N 3.07Å; N102-S106 PolarHBondContact O-N 3.27Å; N102-S106 PolarHBondContact O-OG 2.85Å
103G93.5Very high93.6Very high2 Ų261.9 Ų61.92%0.02132%0.323CS..Hα-helixtrans-55.8-41.2173.100000112.3C99 L100 S106 C107C99-G103 PolarHBondContact O-N 3.02Å; L100-G103 PolarHBondContact O-N 2.93Å; G103-S106 PolarHBondContact O-N 3.49Å; G103-C107 PolarHBondContact O-N 2.91Å; G103-C107 PolarHBondContact O-SG 2.83Å
104R95.5Very high93.4Very high111 Ų11169.3 Ų69.342%0.41936%0.36SS..Hα-helixtrans-64.8-41.8174.5-67.1179.5-1661128.4112.1L100 E101 N102 C107 A108 V117L100-R104 WeakPolarHBondContact O-CG 3.28Å; L100-R104 PolarHBondContact O-N 3.24Å; L100-R104 VanDerWaalsContact O-N 3.14Å; E101-R104 WeakPolarHBondContact O-CB 3.37Å; E101-R104 PolarHBondContact O-N 3.5Å; E101-R104 IonicContact OE2-NH1 3.34Å; N102-R104 VanDerWaalsContact C-N 3.26Å; N102-R104 PolarHBondContact O-N 2.94Å; R104-C107 WeakPolarHBondContact O-CB 3.42Å; R104-C107 PolarHBondContact O-N 3.49Å; R104-A108 WeakPolarHBondContact O-CB 3.16Å; R104-A108 PolarHBondContact O-N 3.25Å; R104-V117 HydrophobicContact CG-CB 3.81Å; R104-V117 HydrophobicContact CG-CG1 4.32Å; R104-V117 HydrophobicContact CG-CG2 3.61Å
105R94.3Very high93.6Very high115 Ų11567 Ų6743%0.43434%0.343SS..Hα-helixtrans-63-41.9176.4-69.9170.9-177.4-166.7-1.4111.9P33 E101 N102 A108 A109P33-R105 HydrophobicContact CG-CB 4.27Å; E101-R105 WeakPolarHBondContact O-CG 3.31Å; E101-R105 PolarHBondContact O-N 3.47Å; E101-R105 IonicContact OE1-CZ 3.18Å; E101-R105 IonicContact OE1-NE 2.91Å; E101-R105 PolarHBondContact OE1-NE 2.91Å; E101-R105 IonicContact OE1-NH2 3.97Å; N102-R105 WeakPolarHBondContact O-CB 3.36Å; N102-R105 PolarHBondContact O-N 3.02Å; N102-R105 VanDerWaalsContact O-N 3.07Å; R105-A108 PolarHBondContact O-N 3.2Å; R105-A109 WeakPolarHBondContact O-CB 3.48Å; R105-A109 PolarHBondContact O-N 2.99Å
106S95.6Very high93.7Very high0 Ų062.9 Ų62.90%033%0.329CS..Hα-helixtrans-61.9-42.4174-63.20000111.7V74 N102 G103 A109 N110V74-S106 WeakPolarHBondContact O-CB 3.47Å; V74-S106 PolarHBondContact O-OG 2.64Å; N102-S106 PolarHBondContact O-N 3.27Å; N102-S106 PolarHBondContact O-OG 2.85Å; G103-S106 PolarHBondContact O-N 3.49Å; S106-A109 PolarHBondContact O-N 3.04Å; S106-N110 PolarHBondContact O-N 3.21Å; S106-N110 PolarHBondContact O-ND2 2.93Å
107C96.8Very high94.1Very high4 Ų460.4 Ų60.43%0.02732%0.322CS..Hα-helixtrans-60.6-48.9173.7-66.10000111.5L90 G103 R104 A109 N110 G111 L112 V115L90-C107 VanDerWaalsContact CD1-SG 3.58Å; G103-C107 PolarHBondContact O-N 2.91Å; G103-C107 PolarHBondContact O-SG 2.83Å; R104-C107 WeakPolarHBondContact O-CB 3.42Å; R104-C107 PolarHBondContact O-N 3.49Å; C107-A109 PolarHBondContact O-N 3.01Å; C107-N110 CarbonylContact O-C 3.57Å; C107-N110 PolarHBondContact O-N 3.45Å; C107-N110 VanDerWaalsContact O-N 3.08Å; C107-G111 PolarHBondContact O-N 3.21Å; C107-L112 HydrophobicContact CB-CB 4.11Å; C107-L112 WeakPolarHBondContact O-CB 3.38Å; C107-L112 PolarHBondContact O-N 3.33Å; C107-V115 VanDerWaalsContact SG-CG1 3.58Å
108A96.1Very high94.3Very high73 Ų7357.6 Ų57.660%0.60330%0.302SS*.Hα-helixtrans-61.2-41.8179.900000112.7R104 R105 N110 G111R104-A108 WeakPolarHBondContact O-CB 3.16Å; R104-A108 PolarHBondContact O-N 3.25Å; R105-A108 PolarHBondContact O-N 3.2Å; A108-N110 PolarHBondContact O-N 2.82Å; A108-N110 VanDerWaalsContact O-N 3.13Å; A108-G111 PolarHBondContact O-N 2.91Å
109A95.6Very high94.6Very high50 Ų5051.9 Ų51.941%0.41329%0.287SS..Hα-helixtrans-61.6-19.6176.900000113.2C31 P33 R105 S106 C107C31-A109 HydrophobicContact CB-CB 4.43Å; P33-A109 HydrophobicContact CG-CB 4.17Å; R105-A109 WeakPolarHBondContact O-CB 3.48Å; R105-A109 PolarHBondContact O-N 2.99Å; S106-A109 PolarHBondContact O-N 3.04Å; C107-A109 PolarHBondContact O-N 3.01Å
110N97.1Very high94.9Very high19 Ų1951.9 Ų51.910%0.10229%0.287CS..THydrogen-bonded Turntrans-108.611.3178.4-68.9-82.9000113.3V30 C31 V79 R83 S106 C107 A108 L112V30-N110 WeakPolarHBondContact CA-OD1 3.38Å; C31-N110 PolarHBondContact N-OD1 3.23Å; C31-N110 PolarHBondContact O-ND2 2.84Å; V79-N110 HydrophobicContact CG1-CB 3.89Å; V79-N110 WeakPolarHBondContact CG1-ND2 3.35Å; R83-N110 PolarHBondContact NH1-OD1 3.35Å; R83-N110 VanDerWaalsContact NH1-OD1 3.14Å; S106-N110 PolarHBondContact O-N 3.21Å; S106-N110 PolarHBondContact O-ND2 2.93Å; C107-N110 CarbonylContact O-C 3.57Å; C107-N110 PolarHBondContact O-N 3.45Å; C107-N110 VanDerWaalsContact O-N 3.08Å; A108-N110 PolarHBondContact O-N 2.82Å; A108-N110 VanDerWaalsContact O-N 3.13Å; N110-L112 HydrophobicContact CB-CD1 4.16Å; N110-L112 HydrophobicContact CB-CG 4.16Å; N110-L112 PolarHBondContact O-N 3.4Å
111G96.6Very high95Very high59 Ų5952.2 Ų52.261%0.60829%0.291SS*.THydrogen-bonded Turntrans69.516.6179.500000114.4C107 A108C107-G111 PolarHBondContact O-N 3.21Å; A108-G111 PolarHBondContact O-N 2.91Å
112L96.6Very high95.2Very high32 Ų3250.8 Ų50.817%0.16828%0.282CS..  trans-88.6108.4-178.7-59.8171.9000109.7V79 A82 R83 C107 N110 V115V79-L112 HydrophobicContact CB-CD1 4.33Å; V79-L112 HydrophobicContact CG1-CD1 3.82Å; V79-L112 HydrophobicContact CG2-CD1 4.42Å; A82-L112 HydrophobicContact CB-CD1 3.63Å; A82-L112 HydrophobicContact CB-CD2 3.97Å; A82-L112 HydrophobicContact CB-CG 4.41Å; R83-L112 HydrophobicContact CG-CD1 4.35Å; R83-L112 HydrophobicContact CG-CD2 4.38Å; C107-L112 HydrophobicContact CB-CB 4.11Å; C107-L112 WeakPolarHBondContact O-CB 3.38Å; C107-L112 PolarHBondContact O-N 3.33Å; N110-L112 HydrophobicContact CB-CD1 4.16Å; N110-L112 HydrophobicContact CB-CG 4.16Å; N110-L112 PolarHBondContact O-N 3.4Å; L112-V115 HydrophobicContact CB-CG2 3.96Å; L112-V115 HydrophobicContact CD1-CG2 4.23Å
113R91.1Very high95.5Very high230 Ų23051.4 Ų51.487%0.86829%0.29SS*.  trans-100.1-22.3-178.6-62.9-178.8-178.8169.10.6113.7
114D90.8Very high95.5Very high166 Ų16655.4 Ų55.489%0.88831%0.311SS*.SBendtrans-98.85.5-172.9-54.6-43.7000113.2
115V96.7Very high95.3Very high23 Ų2353.8 Ų53.814%0.13931%0.313CS..  trans-85.1115.2177.31780000109.1A82 V88 L90 C107 L112A82-V115 HydrophobicContact CB-CG2 3.78Å; V88-V115 HydrophobicContact CB-CG1 4.25Å; V88-V115 HydrophobicContact CB-CG2 4.33Å; V88-V115 HydrophobicContact CG1-CG1 4.15Å; L90-V115 HydrophobicContact CD1-CG1 4.26Å; L90-V115 HydrophobicContact CG-CG1 3.86Å; C107-V115 VanDerWaalsContact SG-CG1 3.58Å; L112-V115 HydrophobicContact CB-CG2 3.96Å; L112-V115 HydrophobicContact CD1-CG2 4.23Å
116G95.4Very high95.1Very high34 Ų3449.7 Ų49.735%0.35130%0.301SS..EExtended strand (participates in β ladder)trans-73.2140.4175.100000111.4S89 L90S89-G116 CarbonylContact C-O 3.53Å; S89-G116 WeakPolarHBondContact CA-O 3.34Å; L90-G116 PolarHBondContact N-O 3.17Å
117V96.6Very high94.8Very high26 Ų2653.6 Ų53.616%0.15833%0.326CS..EExtended strand (participates in β ladder)trans-122113.3171.8-173.10000109.1L90 L100 R104L90-V117 HydrophobicContact CB-CG1 4.43Å; L90-V117 HydrophobicContact CB-CG2 4.24Å; L90-V117 HydrophobicContact CD1-CG2 4.31Å; L90-V117 WeakPolarHBondContact O-CA 3.48Å; L100-V117 HydrophobicContact CB-CG1 4.18Å; L100-V117 HydrophobicContact CD2-CG1 4.01Å; L100-V117 WeakPolarHBondContact O-CG1 3.49Å; R104-V117 HydrophobicContact CG-CB 3.81Å; R104-V117 HydrophobicContact CG-CG1 4.32Å; R104-V117 HydrophobicContact CG-CG2 3.61Å
118L95.5Very high94.4Very high29 Ų2958 Ų5815%0.15235%0.347CS..EExtended strand (participates in β ladder)trans-118.1145.3-171.557.4146.5000112.1L68 L90 S91 D92 L100 L120 L132L68-L118 HydrophobicContact CD1-CD2 4.28Å; L90-L118 WeakPolarHBondContact O-CD2 3.49Å; L90-L118 PolarHBondContact O-N 2.7Å; S91-L118 VanDerWaalsContact CA-O 3.27Å; S91-L118 WeakPolarHBondContact CA-O 3.41Å; D92-L118 PolarHBondContact N-O 2.92Å; L100-L118 VanDerWaalsContact CD2-O 3.28Å; L100-L118 WeakPolarHBondContact CD2-O 3.41Å; L118-L120 HydrophobicContact CD1-CB 4.26Å; L118-L120 HydrophobicContact CD1-CD1 3.96Å; L118-L132 HydrophobicContact CD1-CD1 4.07Å; L118-L132 HydrophobicContact CD1-CD2 4.18Å; L118-L132 HydrophobicContact CD1-CG 4.38Å; L118-L132 HydrophobicContact CD2-CD2 4.42Å
119G96.1Very high94.2Very high22 Ų2254.8 Ų54.823%0.22732%0.319CS..EExtended strand (participates in β ladder)trans-78.5120.616800000109.7D92D92-G119 CarbonylContact O-C 3.57Å; D92-G119 WeakPolarHBondContact O-CA 3.41Å
120L95.9Very high94Very high1 Ų156.5 Ų56.51%0.00532%0.321CS..  trans-145.4105.7-179.7-169.1165.3000107.8L68 L70 D92 L118 L129 L132 T156L68-L120 HydrophobicContact CD2-CD1 4.47Å; L70-L120 HydrophobicContact CD2-CD1 4.25Å; L70-L120 HydrophobicContact CD2-CD2 4.14Å; D92-L120 CarbonylContact C-O 3.55Å; D92-L120 CarbonylContact O-C 3.54Å; D92-L120 PolarHBondContact O-N 2.78Å; L118-L120 HydrophobicContact CD1-CB 4.26Å; L118-L120 HydrophobicContact CD1-CD1 3.96Å; L120-L129 HydrophobicContact CD1-CB 4.47Å; L120-L129 HydrophobicContact CD1-CD1 3.83Å; L120-L132 HydrophobicContact CD1-CD1 4.47Å; L120-T156 HydrophobicContact CD2-CG2 3.8Å
121S96.1Very high93.8Very high23 Ų2362.5 Ų62.516%0.16135%0.352CS..  trans-81.3135.8170.6-61.20000109.2S94 D124S94-S121 PolarHBondContact N-OG 3.43Å; S94-S121 PolarHBondContact OG-OG 3.48Å; S121-D124 WeakPolarHBondContact CB-OD2 3.37Å; S121-D124 PolarHBondContact O-N 3.21Å
122W96.9Very high93.6Very high43 Ų4360.4 Ų60.416%0.16333%0.327CS..THydrogen-bonded Turntrans-63.4148.9-179.8-55.7-31.8000110.9D124 V143 Y145 D149 D152 V153 T156W122-D124 PolarHBondContact O-N 3.14Å; W122-D124 VanDerWaalsContact O-N 3.08Å; W122-V143 HydrophobicContact CH2-CB 3.88Å; W122-V143 HydrophobicContact CH2-CG1 4.14Å; W122-V143 HydrophobicContact CZ2-CB 3.87Å; W122-V143 HydrophobicContact CZ2-CG1 3.74Å; W122-Y145 AromaticContact CH2-CE1 3.93Å; W122-Y145 HydrophobicContact CH2-CE1 3.93Å; W122-Y145 HydrophobicContact CZ3-CE1 4.09Å; W122-D149 HydrophobicContact CE3-CB 3.85Å; W122-D149 HydrophobicContact CZ3-CB 3.88Å; W122-D152 HydrophobicContact CB-CB 3.91Å; W122-V153 HydrophobicContact CB-CG2 4.41Å; W122-V153 HydrophobicContact CD2-CG2 3.5Å; W122-V153 VanDerWaalsContact CD2-CG2 3.5Å; W122-V153 HydrophobicContact CE3-CG2 3.45Å; W122-V153 VanDerWaalsContact CE3-CG2 3.45Å; W122-V153 HydrophobicContact CG-CG2 3.95Å; W122-V153 HydrophobicContact CH2-CG2 4.22Å; W122-V153 HydrophobicContact CZ2-CG2 4.3Å; W122-V153 HydrophobicContact CZ3-CG2 3.83Å; W122-T156 WeakPolarHBondContact CA-OG1 3.37Å
123G96.1Very high93.5Very high18 Ų1862 Ų6219%0.18634%0.339CS..THydrogen-bonded Turntrans81.1-27.3-179.400000113.7D152 T156G123-D152 PolarHBondContact N-O 2.9Å; G123-D152 VanDerWaalsContact N-O 3.08Å; G123-T156 PolarHBondContact N-OG1 3.15Å
124D94.4Very high93.8Very high85 Ų8554.4 Ų54.446%0.45532%0.32SS..  trans-77.4126.1-180-70.8-26.3000112.5S121 W122 T126S121-D124 WeakPolarHBondContact CB-OD2 3.37Å; S121-D124 PolarHBondContact O-N 3.21Å; W122-D124 PolarHBondContact O-N 3.14Å; W122-D124 VanDerWaalsContact O-N 3.08Å; D124-T126 HydrophobicContact CB-CG2 3.72Å; D124-T126 PolarHBondContact O-N 3.45Å
125V90.9Very high94.2Very high78 Ų7846.8 Ų46.847%0.47328%0.279SS..  trans-9178.4171.9-173.80000109.3L130V125-L130 HydrophobicContact CG1-CD1 3.99Å; V125-L130 HydrophobicContact CG1-CD2 3.78Å; V125-L130 HydrophobicContact CG1-CG 3.91Å
126T90.2Very high94.2Very high29 Ų2948 Ų4818%0.17828%0.284CS..  trans-87.1160.2-178.180.20000112.7D124 E128 L129 L130D124-T126 HydrophobicContact CB-CG2 3.72Å; D124-T126 PolarHBondContact O-N 3.45Å; T126-E128 WeakPolarHBondContact CB-OE2 3.33Å; T126-E128 PolarHBondContact O-N 3Å; T126-E128 PolarHBondContact OG1-N 3.06Å; T126-E128 PolarHBondContact OG1-OE2 3.36Å; T126-L129 PolarHBondContact O-N 3.41Å; T126-L129 PolarHBondContact OG1-N 2.84Å; T126-L130 WeakPolarHBondContact O-CG 3.44Å; T126-L130 PolarHBondContact O-N 2.85Å
127P89.3Confident94.4Very high81 Ų8146.4 Ų46.453%0.52627%0.268SS..Hα-helixtrans-54.1-36.4171-2736.6000113.4L130 L131P127-L130 CarbonylContact O-C 3.52Å; P127-L130 PolarHBondContact O-N 2.93Å; P127-L131 VanDerWaalsContact O-CB 3.28Å; P127-L131 WeakPolarHBondContact O-CB 3.3Å; P127-L131 WeakPolarHBondContact O-CG 3.32Å; P127-L131 PolarHBondContact O-N 2.69Å
128E87.9Confident94.5Very high98 Ų9845.1 Ų45.146%0.45826%0.26SS..Hα-helixtrans-60.4-49.5178.4-62.670.2-154.700110.8T126 L130 L131 L132T126-E128 WeakPolarHBondContact CB-OE2 3.33Å; T126-E128 PolarHBondContact O-N 3Å; T126-E128 PolarHBondContact OG1-N 3.06Å; T126-E128 PolarHBondContact OG1-OE2 3.36Å; E128-L130 VanDerWaalsContact C-N 3.33Å; E128-L130 PolarHBondContact O-N 3.32Å; E128-L131 PolarHBondContact O-N 3.25Å; E128-L132 PolarHBondContact O-N 3.48Å; E128-L132 VanDerWaalsContact O-N 3.17Å
129L92.6Very high94.6Very high4 Ų443.8 Ų43.82%0.02125%0.253CS..Hα-helixtrans-59.7-44.4174178.770.7000111.2L120 T126 L131 L132 T156 C159 L160L120-L129 HydrophobicContact CD1-CB 4.47Å; L120-L129 HydrophobicContact CD1-CD1 3.83Å; T126-L129 PolarHBondContact O-N 3.41Å; T126-L129 PolarHBondContact OG1-N 2.84Å; L129-L131 VanDerWaalsContact C-N 3.26Å; L129-L131 PolarHBondContact O-N 2.86Å; L129-L132 HydrophobicContact CD1-CD1 4.36Å; L129-L132 PolarHBondContact O-N 3.42Å; L129-T156 HydrophobicContact CD1-CG2 4.19Å; L129-C159 HydrophobicContact CD2-CB 4.03Å; L129-L160 HydrophobicContact CD1-CD1 4.46Å; L129-L160 HydrophobicContact CD1-CD2 3.57Å; L129-L160 HydrophobicContact CD1-CG 3.94Å
130L91.1Very high94.7Very high87 Ų8742.7 Ų42.746%0.45524%0.242SC..Hα-helixtrans-72.1-14.3-179.9-67-179.5000114.1V125 T126 P127 E128 K163V125-L130 HydrophobicContact CG1-CD1 3.99Å; V125-L130 HydrophobicContact CG1-CD2 3.78Å; V125-L130 HydrophobicContact CG1-CG 3.91Å; T126-L130 WeakPolarHBondContact O-CG 3.44Å; T126-L130 PolarHBondContact O-N 2.85Å; P127-L130 CarbonylContact O-C 3.52Å; P127-L130 PolarHBondContact O-N 2.93Å; E128-L130 VanDerWaalsContact C-N 3.33Å; E128-L130 PolarHBondContact O-N 3.32Å; L130-K163 VanDerWaalsContact C-NZ 3.25Å; L130-K163 WeakPolarHBondContact O-CE 3.49Å; L130-K163 PolarHBondContact O-NZ 3.02Å
131L92.5Very high94.7Very high144 Ų14443.4 Ų43.475%0.75425%0.247SC*.Hα-helixtrans-98.5-15.4176.6-73.2170.3000112.9P127 E128 L129P127-L131 VanDerWaalsContact O-CB 3.28Å; P127-L131 WeakPolarHBondContact O-CB 3.3Å; P127-L131 WeakPolarHBondContact O-CG 3.32Å; P127-L131 PolarHBondContact O-N 2.69Å; E128-L131 PolarHBondContact O-N 3.25Å; L129-L131 VanDerWaalsContact C-N 3.26Å; L129-L131 PolarHBondContact O-N 2.86Å
132L93.9Very high94.6Very high16 Ų1642.7 Ų42.78%0.08424%0.242CC..SBendtrans-54.1139.9174.1-75.7173.8000111.2L68 L118 L120 E128 L129 L160 K163L68-L132 HydrophobicContact CD1-CD1 3.96Å; L68-L132 HydrophobicContact CD2-CD1 3.79Å; L68-L132 HydrophobicContact CG-CD1 4.48Å; L118-L132 HydrophobicContact CD1-CD1 4.07Å; L118-L132 HydrophobicContact CD1-CD2 4.18Å; L118-L132 HydrophobicContact CD1-CG 4.38Å; L118-L132 HydrophobicContact CD2-CD2 4.42Å; L120-L132 HydrophobicContact CD1-CD1 4.47Å; E128-L132 PolarHBondContact O-N 3.48Å; E128-L132 VanDerWaalsContact O-N 3.17Å; L129-L132 HydrophobicContact CD1-CD1 4.36Å; L129-L132 PolarHBondContact O-N 3.42Å; L132-L160 HydrophobicContact CD1-CD2 4.41Å; L132-K163 PolarHBondContact O-NZ 2.85Å
133P94.2Very high94.6Very high64 Ų6440.8 Ų40.842%0.41623%0.234SC..PPolyproline II helixtrans-62164.3171.427.1-32.4000110.3Q135P133-Q135 PolarHBondContact O-N 3.27Å; P133-Q135 PolarHBondContact O-NE2 2.86Å
134P97.2Very high94.5Very high72 Ų7240 Ų4047%0.46823%0.226SC..PPolyproline II helixtrans-52.2128.8169.1-23.333.3000110.2A66 K163 N164A66-P134 WeakPolarHBondContact CB-O 3.16Å; P134-K163 HydrophobicContact CB-CB 4.41Å; P134-K163 HydrophobicContact CG-CB 4.4Å; P134-N164 HydrophobicContact CB-CB 4.18Å
135Q97.9Very high94.3Very high5 Ų538 Ų382%0.02321%0.213CC..PPolyproline II helixtrans-96.3138.3178.8-56.6-57.4-46.600109V67 L68 P133 V138 L160 N164 A167V67-Q135 VanDerWaalsContact C-OE1 3.29Å; L68-Q135 HydrophobicContact CB-CG 3.91Å; P133-Q135 PolarHBondContact O-N 3.27Å; P133-Q135 PolarHBondContact O-NE2 2.86Å; Q135-V138 HydrophobicContact CB-CG2 4.47Å; Q135-L160 HydrophobicContact CG-CD2 4.36Å; Q135-N164 PolarHBondContact O-ND2 3.38Å; Q135-A167 VanDerWaalsContact O-CB 3.29Å; Q135-A167 WeakPolarHBondContact O-CB 2.95Å
136D98.3Very high94.4Very high49 Ų4937.1 Ų37.126%0.26221%0.205SC..SBendtrans-88.6-34.7175-57.8-55.1000111R65 A66 Q168R65-D136 WeakPolarHBondContact CA-OD2 3.17Å; R65-D136 HydrophobicContact CB-CB 4.15Å; R65-D136 HydrophobicContact CG-CB 4.38Å; R65-D136 PolarHBondContact NH2-O 3.33Å; A66-D136 PolarHBondContact N-OD2 2.95Å; A66-D136 PolarHBondContact O-N 3Å; D136-Q168 PolarHBondContact O-N 3.04Å
137V98.6Very high94.5Very high0 Ų038.6 Ų38.60%022%0.215CC..EExtended strand (participates in β ladder)trans-133.5137.3176.7-174.80000109.3R65 A66 V67 L68 L139 Q168 W170R65-V137 VanDerWaalsContact NH1-CG2 3.26Å; R65-V137 VanDerWaalsContact NH2-CG2 3.26Å; A66-V137 PolarHBondContact O-N 3.2Å; A66-V137 VanDerWaalsContact O-N 3.12Å; V67-V137 VanDerWaalsContact CA-O 3.32Å; V67-V137 WeakPolarHBondContact CA-O 3.17Å; V67-V137 HydrophobicContact CG2-CB 4.25Å; L68-V137 PolarHBondContact N-O 3.05Å; L68-V137 VanDerWaalsContact N-O 3.07Å; V137-L139 HydrophobicContact CG1-CD2 3.62Å; V137-L139 HydrophobicContact CG1-CG 4.41Å; V137-Q168 CarbonylContact C-O 3.23Å; V137-Q168 WeakPolarHBondContact CA-O 3.22Å; V137-W170 HydrophobicContact CG1-CB 4.25Å; V137-W170 HydrophobicContact CG1-CD2 3.55Å; V137-W170 HydrophobicContact CG1-CE3 3.76Å; V137-W170 HydrophobicContact CG1-CG 3.8Å; V137-W170 HydrophobicContact CG1-CZ3 4.38Å; V137-W170 HydrophobicContact CG2-CH2 4.3Å; V137-W170 HydrophobicContact CG2-CZ2 4.16Å
138V98.7Very high94.8Very high0 Ų042.6 Ų42.60%023%0.226CC..EExtended strand (participates in β ladder)trans-106.4135.1164-176.30000107.4L68 L70 Q135 F157 L160 Q168 F169 W170L68-V138 CarbonylContact O-C 3.51Å; L68-V138 VanDerWaalsContact O-CA 3.27Å; L68-V138 WeakPolarHBondContact O-CA 3.25Å; L70-V138 HydrophobicContact CD1-CG1 3.71Å; L70-V138 HydrophobicContact CG-CG1 3.75Å; Q135-V138 HydrophobicContact CB-CG2 4.47Å; V138-F157 HydrophobicContact CB-CD2 4.14Å; V138-F157 HydrophobicContact CB-CE2 4.31Å; V138-F157 HydrophobicContact CG2-CD2 3.85Å; V138-F157 HydrophobicContact CG2-CE2 3.99Å; V138-L160 HydrophobicContact CG1-CD1 4.41Å; V138-L160 HydrophobicContact CG2-CD1 3.7Å; V138-Q168 PolarHBondContact N-O 2.75Å; V138-F169 HydrophobicContact CB-CB 4.36Å; V138-F169 HydrophobicContact CB-CD2 3.97Å; V138-F169 HydrophobicContact CB-CG 4.36Å; V138-F169 HydrophobicContact CG1-CD2 3.83Å; V138-F169 HydrophobicContact CG1-CE2 3.93Å; V138-F169 HydrophobicContact CG1-CG 4.4Å; V138-F169 CarbonylContact O-C 3.56Å; V138-F169 WeakPolarHBondContact O-CA 3.36Å; V138-F169 WeakPolarHBondContact O-CD2 3.36Å; V138-W170 PolarHBondContact O-N 3.26Å
139L98.8Very high95.1Very high0 Ų039.9 Ų39.90%022%0.215CC..EExtended strand (participates in β ladder)trans-108.8147.6176.2-54.5179.2000109.4L51 L55 V67 L68 E69 L70 P77 A81 V137 W170L51-L139 HydrophobicContact CD2-CB 4.19Å; L55-L139 HydrophobicContact CD1-CD1 3.83Å; L55-L139 HydrophobicContact CD1-CD2 4.34Å; L55-L139 HydrophobicContact CD2-CD1 4.4Å; L55-L139 HydrophobicContact CD2-CD2 3.95Å; V67-L139 HydrophobicContact CG1-CD1 3.47Å; V67-L139 VanDerWaalsContact CG1-CD1 3.47Å; V67-L139 HydrophobicContact CG1-CD2 4.35Å; V67-L139 HydrophobicContact CG1-CG 3.6Å; L68-L139 PolarHBondContact O-N 2.72Å; E69-L139 HydrophobicContact CB-CB 4.07Å; E69-L139 HydrophobicContact CG-CB 4Å; L70-L139 PolarHBondContact N-O 2.8Å; P77-L139 HydrophobicContact CB-CD1 4.25Å; A81-L139 HydrophobicContact CB-CD1 4.5Å; V137-L139 HydrophobicContact CG1-CD2 3.62Å; V137-L139 HydrophobicContact CG1-CG 4.41Å; L139-W170 WeakPolarHBondContact CA-O 3.11Å; L139-W170 HydrophobicContact CD2-CB 4.04Å; L139-W170 HydrophobicContact CD2-CE3 4.21Å
140G98.1Very high95.3Very high0 Ų040.3 Ų40.30%022%0.217CC..EExtended strand (participates in β ladder)trans-161103.7172.400000110.3W170 T171 T172G140-W170 PolarHBondContact N-O 3.43Å; G140-W170 VanDerWaalsContact N-O 3.15Å; G140-T171 WeakPolarHBondContact O-CA 3.01Å; G140-T171 VanDerWaalsContact O-CB 3.3Å; G140-T171 WeakPolarHBondContact O-CB 3.34Å; G140-T171 PolarHBondContact O-OG1 3.32Å; G140-T172 PolarHBondContact O-N 2.94Å
141S95.9Very high95.6Very high15 Ų1539.3 Ų39.311%0.10521%0.21CC..EExtended strand (participates in β ladder)trans-90.6117.1175.458.50000110.5V143S141-V143 VanDerWaalsContact C-N 3.27Å; S141-V143 PolarHBondContact O-N 3.01Å
142D93.7Very high95.9Very high9 Ų935.5 Ų35.55%0.04819%0.19CC..SBendtrans60.227.3178.1-142.823.9000115.8C47 F144 Y145 T172 Q174 R176C47-D142 HydrophobicContact CB-CB 3.62Å; C47-D142 PolarHBondContact SG-OD1 3.29Å; D142-F144 PolarHBondContact O-N 2.83Å; D142-Y145 VanDerWaalsContact O-CD1 3.22Å; D142-Y145 WeakPolarHBondContact O-CD1 3.27Å; D142-T172 WeakPolarHBondContact CA-O 3.14Å; D142-T172 PolarHBondContact N-O 2.64Å; D142-Q174 PolarHBondContact OD1-N 3.46Å; D142-Q174 VanDerWaalsContact OD1-N 3.12Å; D142-R176 IonicContact OD1-CZ 2.88Å; D142-R176 IonicContact OD1-NH1 3.46Å; D142-R176 PolarHBondContact OD1-NH1 3.4Å; D142-R176 IonicContact OD1-NH2 3.61Å; D142-R176 IonicContact OD2-CZ 3.67Å; D142-R176 IonicContact OD2-NH1 2.79Å; D142-R176 PolarHBondContact OD2-NH1 3.13Å; D142-R176 IonicContact OD2-NH2 3.92Å; D142-R176 PolarHBondContact OD2-NH2 3.14Å
143V95.7Very high96.1Very high2 Ų234.7 Ų34.71%0.01219%0.186CC..  trans-70.8-16.6-178.7-62.20000113.8L70 W122 S141 Y145 V153 F169L70-V143 WeakPolarHBondContact O-CG1 3.42Å; W122-V143 HydrophobicContact CH2-CB 3.88Å; W122-V143 HydrophobicContact CH2-CG1 4.14Å; W122-V143 HydrophobicContact CZ2-CB 3.87Å; W122-V143 HydrophobicContact CZ2-CG1 3.74Å; S141-V143 VanDerWaalsContact C-N 3.27Å; S141-V143 PolarHBondContact O-N 3.01Å; V143-Y145 PolarHBondContact O-N 3.05Å; V143-V153 HydrophobicContact CB-CG1 4.44Å; V143-V153 HydrophobicContact CB-CG2 4.31Å; V143-V153 HydrophobicContact CG2-CG1 3.88Å; V143-F169 HydrophobicContact CG2-CZ 4.04Å
144F94.5Very high96.3Very high1 Ų131.7 Ų31.70%0.00417%0.166CC..  trans-95.951.4177-60-69.8000111.4D142 F150 V153 L154 F169 T171 Y173 L182 I224D142-F144 PolarHBondContact O-N 2.83Å; F144-F150 VanDerWaalsContact CA-CE1 3.48Å; F144-F150 HydrophobicContact CB-CD1 4Å; F144-F150 HydrophobicContact CB-CE1 3.74Å; F144-F150 HydrophobicContact CB-CZ 4.15Å; F144-F150 HydrophobicContact CD1-CB 4.27Å; F144-F150 AromaticContact CD1-CD1 3.86Å; F144-F150 HydrophobicContact CD1-CD1 3.86Å; F144-F150 HydrophobicContact CD1-CE1 4.46Å; F144-F150 HydrophobicContact CD1-CG 4.03Å; F144-F150 HydrophobicContact CG-CD1 4.45Å; F144-F150 WeakPolarHBondContact O-CE1 3.2Å; F144-F150 WeakPolarHBondContact O-CZ 3.37Å; F144-V153 HydrophobicContact CD1-CG1 4.47Å; F144-V153 HydrophobicContact CE1-CB 3.89Å; F144-V153 HydrophobicContact CE1-CG1 3.64Å; F144-V153 HydrophobicContact CE2-CG1 4.46Å; F144-V153 HydrophobicContact CZ-CB 4.39Å; F144-V153 HydrophobicContact CZ-CG1 3.63Å; F144-L154 HydrophobicContact CE1-CD2 4.26Å; F144-L154 HydrophobicContact CE1-CG 4.18Å; F144-L154 HydrophobicContact CZ-CD2 3.97Å; F144-L154 HydrophobicContact CZ-CG 4.4Å; F144-F169 HydrophobicContact CE2-CE1 4.3Å; F144-F169 HydrophobicContact CZ-CE1 4.02Å; F144-T171 HydrophobicContact CE2-CG2 4.06Å; F144-Y173 HydrophobicContact CB-CD2 3.93Å; F144-Y173 HydrophobicContact CB-CE2 4.42Å; F144-Y173 VanDerWaalsContact O-CD2 3.27Å; F144-Y173 WeakPolarHBondContact O-CD2 3.45Å; F144-Y173 WeakPolarHBondContact O-CE2 3.1Å; F144-L182 HydrophobicContact CD1-CD1 4.05Å; F144-L182 HydrophobicContact CD1-CD2 3.62Å; F144-L182 HydrophobicContact CD1-CG 4.46Å; F144-L182 HydrophobicContact CD2-CD1 3.92Å; F144-L182 HydrophobicContact CE1-CD1 4.04Å; F144-L182 HydrophobicContact CE1-CD2 3.79Å; F144-L182 HydrophobicContact CE2-CD1 3.92Å; F144-L182 HydrophobicContact CG-CD1 3.98Å; F144-L182 HydrophobicContact CG-CD2 4.21Å; F144-L182 HydrophobicContact CZ-CD1 3.97Å; F144-I224 HydrophobicContact CE2-CD1 4.27Å; F144-I224 HydrophobicContact CZ-CD1 4.25Å
145Y91.1Very high96.3Very high45 Ų4529.6 Ų29.618%0.17615%0.153CC..SBendtrans-97.3-23.7-178.369.5-85.4000114.3W122 D142 V143 R176 W180W122-Y145 AromaticContact CH2-CE1 3.93Å; W122-Y145 HydrophobicContact CH2-CE1 3.93Å; W122-Y145 HydrophobicContact CZ3-CE1 4.09Å; D142-Y145 VanDerWaalsContact O-CD1 3.22Å; D142-Y145 WeakPolarHBondContact O-CD1 3.27Å; V143-Y145 PolarHBondContact O-N 3.05Å; Y145-R176 VanDerWaalsContact CB-CZ 3.44Å; Y145-W180 WeakPolarHBondContact O-CH2 3.22Å; Y145-W180 WeakPolarHBondContact O-CZ3 3.12Å
146D92.5Very high96.3Very high59 Ų5929.4 Ų29.432%0.31615%0.152SC..SBendtrans-120.3119.3175.7-166.1-36.5000109.5E148 D149 F150D146-E148 PolarHBondContact O-N 2.86Å; D146-E148 VanDerWaalsContact O-N 3.16Å; D146-E148 PolarHBondContact OD1-N 3.38Å; D146-D149 PolarHBondContact O-N 3.2Å; D146-F150 WeakPolarHBondContact O-CD1 3.32Å; D146-F150 WeakPolarHBondContact O-CE1 3.35Å
147P92.1Very high96.3Very high59 Ų5927.1 Ų27.138%0.38314%0.139SC..THydrogen-bonded Turntrans-60.2-22.5-177.825.9-36.1000114.1D149 F150 W180P147-D149 VanDerWaalsContact C-N 3.26Å; P147-D149 PolarHBondContact O-N 3.08Å; P147-F150 HydrophobicContact CB-CD2 4.49Å; P147-F150 HydrophobicContact CB-CE2 4.3Å; P147-F150 HydrophobicContact CB-CZ 4.31Å; P147-W180 HydrophobicContact CG-CH2 4.42Å; P147-W180 HydrophobicContact CG-CZ2 3.86Å
148E94.8Very high96.2Very high165 Ų16528.4 Ų28.477%0.77115%0.147SC*.THydrogen-bonded Turntrans-65.5-32.5174.4-62.7-171.3172.400111.5D146D146-E148 PolarHBondContact O-N 2.86Å; D146-E148 VanDerWaalsContact O-N 3.16Å; D146-E148 PolarHBondContact OD1-N 3.38Å
149D95.6Very high96.1Very high42 Ų4228.9 Ų28.923%0.22515%0.15CC..THydrogen-bonded Turntrans-86.3-12.6-177.6-70.7-28.1000113.6W122 D146 P147 E151 D152 V153W122-D149 HydrophobicContact CE3-CB 3.85Å; W122-D149 HydrophobicContact CZ3-CB 3.88Å; D146-D149 PolarHBondContact O-N 3.2Å; P147-D149 VanDerWaalsContact C-N 3.26Å; P147-D149 PolarHBondContact O-N 3.08Å; D149-E151 PolarHBondContact O-N 3.42Å; D149-D152 PolarHBondContact O-N 3.49Å; D149-D152 VanDerWaalsContact O-N 3.14Å; D149-V153 WeakPolarHBondContact O-CG2 3.35Å; D149-V153 PolarHBondContact O-N 3.12Å
150F96.5Very high96.1Very high13 Ų1329.3 Ų29.36%0.05715%0.153CC..Hα-helixtrans-61.2-42.5-169.1-73.99.5000113.1F144 D146 P147 L154 W180 L182 L185F144-F150 VanDerWaalsContact CA-CE1 3.48Å; F144-F150 HydrophobicContact CB-CD1 4Å; F144-F150 HydrophobicContact CB-CE1 3.74Å; F144-F150 HydrophobicContact CB-CZ 4.15Å; F144-F150 HydrophobicContact CD1-CB 4.27Å; F144-F150 AromaticContact CD1-CD1 3.86Å; F144-F150 HydrophobicContact CD1-CD1 3.86Å; F144-F150 HydrophobicContact CD1-CE1 4.46Å; F144-F150 HydrophobicContact CD1-CG 4.03Å; F144-F150 HydrophobicContact CG-CD1 4.45Å; F144-F150 WeakPolarHBondContact O-CE1 3.2Å; F144-F150 WeakPolarHBondContact O-CZ 3.37Å; D146-F150 WeakPolarHBondContact O-CD1 3.32Å; D146-F150 WeakPolarHBondContact O-CE1 3.35Å; P147-F150 HydrophobicContact CB-CD2 4.49Å; P147-F150 HydrophobicContact CB-CE2 4.3Å; P147-F150 HydrophobicContact CB-CZ 4.31Å; F150-L154 WeakPolarHBondContact O-CG 3.36Å; F150-L154 PolarHBondContact O-N 2.85Å; F150-W180 HydrophobicContact CE2-CB 4.14Å; F150-W180 HydrophobicContact CZ-CB 4.45Å; F150-W180 HydrophobicContact CZ-CD2 4.32Å; F150-W180 AromaticContact CZ-CE3 3.84Å; F150-W180 HydrophobicContact CZ-CE3 3.84Å; F150-W180 HydrophobicContact CZ-CZ3 4.47Å; F150-L182 HydrophobicContact CB-CD2 4.02Å; F150-L182 HydrophobicContact CD2-CD2 3.53Å; F150-L182 HydrophobicContact CE2-CD2 4.17Å; F150-L182 HydrophobicContact CG-CD2 3.87Å; F150-L185 HydrophobicContact CB-CD1 3.55Å; F150-L185 HydrophobicContact CD2-CD1 4.4Å
151E97.5Very high96Very high65 Ų6530 Ų3030%0.30416%0.156SC..Hα-helixtrans-66.1-42.8177.5176.9164.5-163.900110.9D149 V153 L154 V155 L185 R188 W189D149-E151 PolarHBondContact O-N 3.42Å; E151-V153 PolarHBondContact O-N 2.87Å; E151-L154 CarbonylContact O-C 3.56Å; E151-L154 PolarHBondContact O-N 2.89Å; E151-V155 HydrophobicContact CG-CG2 3.98Å; E151-V155 WeakPolarHBondContact O-CG2 3.33Å; E151-V155 PolarHBondContact O-N 3.15Å; E151-L185 HydrophobicContact CB-CD2 4.43Å; E151-R188 VanDerWaalsContact CG-NH2 3.34Å; E151-R188 IonicContact OE1-CZ 3.17Å; E151-R188 IonicContact OE1-NE 2.92Å; E151-R188 IonicContact OE1-NH1 2.83Å; E151-R188 PolarHBondContact OE1-NH1 3.4Å; E151-R188 IonicContact OE1-NH2 2.7Å; E151-R188 PolarHBondContact OE1-NH2 2.03Å; E151-R188 IonicContact OE2-CZ 2.78Å; E151-R188 IonicContact OE2-NH1 3.78Å; E151-R188 PolarHBondContact OE2-NH1 2.72Å; E151-R188 IonicContact OE2-NH2 2.95Å; E151-R188 PolarHBondContact OE2-NH2 3.13Å; E151-W189 HydrophobicContact CG-CZ2 4.44Å; E151-W189 WeakPolarHBondContact OE1-CZ2 3.46Å
152D97.9Very high96Very high64 Ų6438.1 Ų38.134%0.34218%0.184SC..Hα-helixtrans-65.2-38.6-176.3-74.5-15.6000112.3W122 G123 D149 L154 V155 T156W122-D152 HydrophobicContact CB-CB 3.91Å; G123-D152 PolarHBondContact N-O 2.9Å; G123-D152 VanDerWaalsContact N-O 3.08Å; D149-D152 PolarHBondContact O-N 3.49Å; D149-D152 VanDerWaalsContact O-N 3.14Å; D152-L154 VanDerWaalsContact C-N 3.34Å; D152-L154 PolarHBondContact O-N 3.03Å; D152-V155 PolarHBondContact O-N 2.94Å; D152-T156 WeakPolarHBondContact O-CB 3.43Å; D152-T156 PolarHBondContact O-N 3Å; D152-T156 PolarHBondContact O-OG1 3.26Å
153V98.1Very high96.1Very high0 Ų041.8 Ų41.80%020%0.2CC..Hα-helixtrans-58.4-47170.5172.70000110.6W122 V143 F144 D149 E151 T156 F157 F169W122-V153 HydrophobicContact CB-CG2 4.41Å; W122-V153 HydrophobicContact CD2-CG2 3.5Å; W122-V153 VanDerWaalsContact CD2-CG2 3.5Å; W122-V153 HydrophobicContact CE3-CG2 3.45Å; W122-V153 VanDerWaalsContact CE3-CG2 3.45Å; W122-V153 HydrophobicContact CG-CG2 3.95Å; W122-V153 HydrophobicContact CH2-CG2 4.22Å; W122-V153 HydrophobicContact CZ2-CG2 4.3Å; W122-V153 HydrophobicContact CZ3-CG2 3.83Å; V143-V153 HydrophobicContact CB-CG1 4.44Å; V143-V153 HydrophobicContact CB-CG2 4.31Å; V143-V153 HydrophobicContact CG2-CG1 3.88Å; F144-V153 HydrophobicContact CD1-CG1 4.47Å; F144-V153 HydrophobicContact CE1-CB 3.89Å; F144-V153 HydrophobicContact CE1-CG1 3.64Å; F144-V153 HydrophobicContact CE2-CG1 4.46Å; F144-V153 HydrophobicContact CZ-CB 4.39Å; F144-V153 HydrophobicContact CZ-CG1 3.63Å; D149-V153 WeakPolarHBondContact O-CG2 3.35Å; D149-V153 PolarHBondContact O-N 3.12Å; E151-V153 PolarHBondContact O-N 2.87Å; V153-T156 WeakPolarHBondContact O-CB 3.27Å; V153-T156 PolarHBondContact O-N 3.19Å; V153-F157 PolarHBondContact O-N 3.28Å; V153-F157 VanDerWaalsContact O-N 3.14Å; V153-F169 HydrophobicContact CG1-CE1 3.75Å; V153-F169 HydrophobicContact CG1-CZ 3.88Å
154L97.9Very high96.2Very high0 Ų043 Ų430%021%0.207CC..Hα-helixtrans-70.3-37.8-179.4-66.5176.1000112.5F144 F150 E151 D152 T156 F157 V158 L185 L186 L191 I224F144-L154 HydrophobicContact CE1-CD2 4.26Å; F144-L154 HydrophobicContact CE1-CG 4.18Å; F144-L154 HydrophobicContact CZ-CD2 3.97Å; F144-L154 HydrophobicContact CZ-CG 4.4Å; F150-L154 WeakPolarHBondContact O-CG 3.36Å; F150-L154 PolarHBondContact O-N 2.85Å; E151-L154 CarbonylContact O-C 3.56Å; E151-L154 PolarHBondContact O-N 2.89Å; D152-L154 VanDerWaalsContact C-N 3.34Å; D152-L154 PolarHBondContact O-N 3.03Å; L154-T156 VanDerWaalsContact C-N 3.29Å; L154-T156 PolarHBondContact O-N 3.04Å; L154-F157 PolarHBondContact O-N 3.37Å; L154-V158 WeakPolarHBondContact O-CB 3.48Å; L154-V158 VanDerWaalsContact O-CG2 3.26Å; L154-V158 WeakPolarHBondContact O-CG2 3.33Å; L154-V158 PolarHBondContact O-N 3.46Å; L154-L185 HydrophobicContact CD1-CB 3.46Å; L154-L185 VanDerWaalsContact CD1-CB 3.46Å; L154-L185 HydrophobicContact CD1-CD1 4.06Å; L154-L185 HydrophobicContact CD1-CG 4.42Å; L154-L186 HydrophobicContact CD2-CD2 4.33Å; L154-L191 HydrophobicContact CD2-CD1 3.96Å; L154-I224 HydrophobicContact CD2-CD1 4.21Å
155V97.4Very high96.3Very high29 Ų2945.5 Ų45.518%0.17622%0.223CC..Hα-helixtrans-59.3-43.6174.4166.50000110.4E151 D152 F157 V158 C159 W189E151-V155 HydrophobicContact CG-CG2 3.98Å; E151-V155 WeakPolarHBondContact O-CG2 3.33Å; E151-V155 PolarHBondContact O-N 3.15Å; D152-V155 PolarHBondContact O-N 2.94Å; V155-F157 PolarHBondContact O-N 3.08Å; V155-V158 PolarHBondContact O-N 3.38Å; V155-C159 WeakPolarHBondContact O-CB 3.48Å; V155-C159 PolarHBondContact O-N 2.83Å; V155-W189 HydrophobicContact CG2-CH2 3.86Å; V155-W189 HydrophobicContact CG2-CZ2 3.38Å
156T98.1Very high96.6Very high1 Ų150.8 Ų50.81%0.00625%0.249CC..Hα-helixtrans-57.6-49.7174.9-52.90000110.7L70 L120 W122 G123 L129 D152 V153 L154 V158 C159 L160L70-T156 HydrophobicContact CD1-CG2 4.08Å; L70-T156 HydrophobicContact CD2-CG2 3.98Å; L120-T156 HydrophobicContact CD2-CG2 3.8Å; W122-T156 WeakPolarHBondContact CA-OG1 3.37Å; G123-T156 PolarHBondContact N-OG1 3.15Å; L129-T156 HydrophobicContact CD1-CG2 4.19Å; D152-T156 WeakPolarHBondContact O-CB 3.43Å; D152-T156 PolarHBondContact O-N 3Å; D152-T156 PolarHBondContact O-OG1 3.26Å; V153-T156 WeakPolarHBondContact O-CB 3.27Å; V153-T156 PolarHBondContact O-N 3.19Å; L154-T156 VanDerWaalsContact C-N 3.29Å; L154-T156 PolarHBondContact O-N 3.04Å; T156-V158 PolarHBondContact O-N 3.23Å; T156-C159 WeakPolarHBondContact O-CB 3.45Å; T156-C159 PolarHBondContact O-N 2.88Å; T156-L160 WeakPolarHBondContact O-CG 3.47Å; T156-L160 PolarHBondContact O-N 3.07Å; T156-L160 VanDerWaalsContact O-N 3.13Å
157F98.3Very high96.8Very high0 Ų048 Ų480%023%0.234CC..Hα-helixtrans-62.7-43.1177.8179.3-125.3000112.8V138 V153 L154 V155 C159 L160 L161 A167 F169 L191 I224V138-F157 HydrophobicContact CB-CD2 4.14Å; V138-F157 HydrophobicContact CB-CE2 4.31Å; V138-F157 HydrophobicContact CG2-CD2 3.85Å; V138-F157 HydrophobicContact CG2-CE2 3.99Å; V153-F157 PolarHBondContact O-N 3.28Å; V153-F157 VanDerWaalsContact O-N 3.14Å; L154-F157 PolarHBondContact O-N 3.37Å; V155-F157 PolarHBondContact O-N 3.08Å; F157-C159 VanDerWaalsContact C-N 3.26Å; F157-C159 PolarHBondContact O-N 3.44Å; F157-L160 WeakPolarHBondContact O-CB 3.32Å; F157-L160 PolarHBondContact O-N 2.73Å; F157-L160 VanDerWaalsContact O-N 3.09Å; F157-L161 HydrophobicContact CD1-CD1 4.09Å; F157-L161 HydrophobicContact CD2-CG 4.48Å; F157-L161 HydrophobicContact CE1-CD1 3.72Å; F157-L161 HydrophobicContact CE1-CD2 4.38Å; F157-L161 HydrophobicContact CE1-CG 4.15Å; F157-L161 HydrophobicContact CE2-CD2 4.08Å; F157-L161 HydrophobicContact CE2-CG 4.09Å; F157-L161 HydrophobicContact CZ-CD1 3.98Å; F157-L161 HydrophobicContact CZ-CD2 3.79Å; F157-L161 HydrophobicContact CZ-CG 3.93Å; F157-L161 WeakPolarHBondContact O-CG 3.11Å; F157-L161 PolarHBondContact O-N 2.98Å; F157-A167 HydrophobicContact CE2-CB 4.42Å; F157-F169 HydrophobicContact CB-CD1 4.15Å; F157-F169 HydrophobicContact CD1-CB 4.02Å; F157-F169 HydrophobicContact CD1-CD1 4.06Å; F157-F169 HydrophobicContact CD2-CB 3.85Å; F157-F169 HydrophobicContact CD2-CD1 4.39Å; F157-F169 HydrophobicContact CD2-CG 4.32Å; F157-F169 HydrophobicContact CE1-CB 3.78Å; F157-F169 HydrophobicContact CE2-CB 3.62Å; F157-F169 HydrophobicContact CG-CB 4.05Å; F157-F169 AromaticContact CG-CD1 3.94Å; F157-F169 HydrophobicContact CG-CD1 3.94Å; F157-F169 HydrophobicContact CG-CG 4.3Å; F157-F169 HydrophobicContact CZ-CB 3.57Å; F157-L191 HydrophobicContact CD1-CD1 4.26Å; F157-L191 HydrophobicContact CD1-CD2 4.3Å; F157-L191 HydrophobicContact CE1-CD2 4.12Å; F157-I224 HydrophobicContact CD1-CG2 4.34Å; F157-I224 HydrophobicContact CE1-CG2 4.02Å
158V97.4Very high97.1Very high27 Ų2748.4 Ų48.416%0.16423%0.231CC..Hα-helixtrans-60.7-36175.61690000111.7L154 V155 T156 L161 R162 W189 L191L154-V158 WeakPolarHBondContact O-CB 3.48Å; L154-V158 VanDerWaalsContact O-CG2 3.26Å; L154-V158 WeakPolarHBondContact O-CG2 3.33Å; L154-V158 PolarHBondContact O-N 3.46Å; V155-V158 PolarHBondContact O-N 3.38Å; T156-V158 PolarHBondContact O-N 3.23Å; V158-L161 PolarHBondContact O-N 3.08Å; V158-R162 PolarHBondContact O-N 3.14Å; V158-W189 HydrophobicContact CG1-CE3 4.19Å; V158-W189 HydrophobicContact CG2-CB 3.95Å; V158-W189 HydrophobicContact CG2-CD2 4.39Å; V158-W189 HydrophobicContact CG2-CE3 4.25Å; V158-W189 HydrophobicContact CG2-CG 4.29Å; V158-L191 HydrophobicContact CG2-CD1 4.09Å; V158-L191 HydrophobicContact CG2-CD2 4.32Å; V158-L191 HydrophobicContact CG2-CG 4.42Å
159C97.1Very high97.3Very high10 Ų1040.5 Ų40.57%0.06819%0.194CC..Hα-helixtrans-64-43174.3-1680000111.3L129 V155 T156 F157 L161 R162L129-C159 HydrophobicContact CD2-CB 4.03Å; V155-C159 WeakPolarHBondContact O-CB 3.48Å; V155-C159 PolarHBondContact O-N 2.83Å; T156-C159 WeakPolarHBondContact O-CB 3.45Å; T156-C159 PolarHBondContact O-N 2.88Å; F157-C159 VanDerWaalsContact C-N 3.26Å; F157-C159 PolarHBondContact O-N 3.44Å; C159-L161 VanDerWaalsContact C-N 3.33Å; C159-L161 PolarHBondContact O-N 3.47Å; C159-R162 VanDerWaalsContact O-CB 3.28Å; C159-R162 WeakPolarHBondContact O-CB 3.42Å; C159-R162 WeakPolarHBondContact O-CG 3.47Å; C159-R162 PolarHBondContact O-N 3.31Å
160L97.4Very high97.4Very high10 Ų1038.7 Ų38.75%0.05218%0.184CC..Hα-helixtrans-63.3-38175.8-65.9167000112.2L68 L129 L132 Q135 V138 T156 F157 R162 K163 N164L68-L160 HydrophobicContact CD2-CD1 3.58Å; L68-L160 HydrophobicContact CD2-CD2 4.15Å; L129-L160 HydrophobicContact CD1-CD1 4.46Å; L129-L160 HydrophobicContact CD1-CD2 3.57Å; L129-L160 HydrophobicContact CD1-CG 3.94Å; L132-L160 HydrophobicContact CD1-CD2 4.41Å; Q135-L160 HydrophobicContact CG-CD2 4.36Å; V138-L160 HydrophobicContact CG1-CD1 4.41Å; V138-L160 HydrophobicContact CG2-CD1 3.7Å; T156-L160 WeakPolarHBondContact O-CG 3.47Å; T156-L160 PolarHBondContact O-N 3.07Å; T156-L160 VanDerWaalsContact O-N 3.13Å; F157-L160 WeakPolarHBondContact O-CB 3.32Å; F157-L160 PolarHBondContact O-N 2.73Å; F157-L160 VanDerWaalsContact O-N 3.09Å; L160-R162 PolarHBondContact O-N 3.01Å; L160-R162 VanDerWaalsContact O-N 3.12Å; L160-K163 PolarHBondContact O-N 2.66Å; L160-N164 PolarHBondContact O-N 2.86Å
161L97.1Very high97.5Very high13 Ų1338 Ų387%0.06818%0.181CC..Hα-helixtrans-60.5-20.7176.1-72.8174.6000113.6F157 V158 C159 K163 N164 P165 A167 L191 R226F157-L161 HydrophobicContact CD1-CD1 4.09Å; F157-L161 HydrophobicContact CD2-CG 4.48Å; F157-L161 HydrophobicContact CE1-CD1 3.72Å; F157-L161 HydrophobicContact CE1-CD2 4.38Å; F157-L161 HydrophobicContact CE1-CG 4.15Å; F157-L161 HydrophobicContact CE2-CD2 4.08Å; F157-L161 HydrophobicContact CE2-CG 4.09Å; F157-L161 HydrophobicContact CZ-CD1 3.98Å; F157-L161 HydrophobicContact CZ-CD2 3.79Å; F157-L161 HydrophobicContact CZ-CG 3.93Å; F157-L161 WeakPolarHBondContact O-CG 3.11Å; F157-L161 PolarHBondContact O-N 2.98Å; V158-L161 PolarHBondContact O-N 3.08Å; C159-L161 VanDerWaalsContact C-N 3.33Å; C159-L161 PolarHBondContact O-N 3.47Å; L161-K163 PolarHBondContact O-N 2.93Å; L161-N164 WeakPolarHBondContact CA-O 3.48Å; L161-N164 WeakPolarHBondContact CD2-O 3.39Å; L161-N164 CarbonylContact O-C 3.34Å; L161-N164 VanDerWaalsContact O-C 3.23Å; L161-N164 PolarHBondContact O-N 2.82Å; L161-P165 WeakPolarHBondContact O-CA 3.18Å; L161-A167 HydrophobicContact CD2-CB 3.98Å; L161-A167 WeakPolarHBondContact CD2-O 3.34Å; L161-L191 HydrophobicContact CD1-CD2 3.63Å; L161-R226 HydrophobicContact CD1-CB 4.33Å
162R95.3Very high97.4Very high186 Ų18635 Ų3570%0.70217%0.167SC*.THydrogen-bonded Turntrans-63.9-29.9175-62.8177.3177.9165.6-0.7112.4V158 C159 L160V158-R162 PolarHBondContact O-N 3.14Å; C159-R162 VanDerWaalsContact O-CB 3.28Å; C159-R162 WeakPolarHBondContact O-CB 3.42Å; C159-R162 WeakPolarHBondContact O-CG 3.47Å; C159-R162 PolarHBondContact O-N 3.31Å; L160-R162 PolarHBondContact O-N 3.01Å; L160-R162 VanDerWaalsContact O-N 3.12Å
163K95.8Very high97.1Very high87 Ų8733.2 Ų33.238%0.37816%0.156SC..THydrogen-bonded Turntrans-91.5-31.6178-67.2-176.2175.2-177.30112.6L130 L132 P134 L160 L161L130-K163 VanDerWaalsContact C-NZ 3.25Å; L130-K163 WeakPolarHBondContact O-CE 3.49Å; L130-K163 PolarHBondContact O-NZ 3.02Å; L132-K163 PolarHBondContact O-NZ 2.85Å; P134-K163 HydrophobicContact CB-CB 4.41Å; P134-K163 HydrophobicContact CG-CB 4.4Å; L160-K163 PolarHBondContact O-N 2.66Å; L161-K163 PolarHBondContact O-N 2.93Å
164N97.3Very high96.8Very high28 Ų2835.6 Ų35.615%0.1517%0.167CC..  trans-14197.4175.3-1758.6000110.9P134 Q135 L160 L161 E166 A167P134-N164 HydrophobicContact CB-CB 4.18Å; Q135-N164 PolarHBondContact O-ND2 3.38Å; L160-N164 PolarHBondContact O-N 2.86Å; L161-N164 WeakPolarHBondContact CA-O 3.48Å; L161-N164 WeakPolarHBondContact CD2-O 3.39Å; L161-N164 CarbonylContact O-C 3.34Å; L161-N164 VanDerWaalsContact O-C 3.23Å; L161-N164 PolarHBondContact O-N 2.82Å; N164-E166 PolarHBondContact O-N 3.2Å; N164-E166 PolarHBondContact OD1-N 3.33Å; N164-A167 HydrophobicContact CB-CB 4.24Å; N164-A167 WeakPolarHBondContact O-CB 3.11Å; N164-A167 PolarHBondContact O-N 3.31Å; N164-A167 VanDerWaalsContact O-N 3.16Å
165P96.8Very high96.2Very high53 Ų5338.3 Ų38.334%0.34418%0.184SC..THydrogen-bonded Turntrans-61.3-21.5178.2-27.137000115L161L161-P165 WeakPolarHBondContact O-CA 3.18Å
166E96.9Very high95.7Very high155 Ų15541.5 Ų41.572%0.72419%0.192SC*.THydrogen-bonded Turntrans-91.31.2-178.9-56.4-56.2127.900112.7N164N164-E166 PolarHBondContact O-N 3.2Å; N164-E166 PolarHBondContact OD1-N 3.33Å
167A98Very high95.1Very high1 Ų143 Ų431%0.00820%0.203CC..  trans-62.5141.1177.600000110.6Q135 F157 L161 N164Q135-A167 VanDerWaalsContact O-CB 3.29Å; Q135-A167 WeakPolarHBondContact O-CB 2.95Å; F157-A167 HydrophobicContact CE2-CB 4.42Å; L161-A167 HydrophobicContact CD2-CB 3.98Å; L161-A167 WeakPolarHBondContact CD2-O 3.34Å; N164-A167 HydrophobicContact CB-CB 4.24Å; N164-A167 WeakPolarHBondContact O-CB 3.11Å; N164-A167 PolarHBondContact O-N 3.31Å; N164-A167 VanDerWaalsContact O-N 3.16Å
168Q98.1Very high94.3Very high67 Ų6748.4 Ų48.431%0.31324%0.241SC..EExtended strand (participates in β ladder)trans-111.4141.2176.2-66.6-178.2-19.800110.1D136 V137 V138 I223D136-Q168 PolarHBondContact O-N 3.04Å; V137-Q168 CarbonylContact C-O 3.23Å; V137-Q168 WeakPolarHBondContact CA-O 3.22Å; V138-Q168 PolarHBondContact N-O 2.75Å; Q168-I223 HydrophobicContact CB-CG2 4.19Å; Q168-I223 HydrophobicContact CG-CG2 4.36Å
169F98.6Very high93.8Very high0 Ų053.8 Ų53.80%027%0.268CS..EExtended strand (participates in β ladder)trans-103.2106172.7-176.2-169.6000109.5L70 V138 V143 F144 V153 F157 I223 I224L70-F169 HydrophobicContact CD1-CZ 4.28Å; V138-F169 HydrophobicContact CB-CB 4.36Å; V138-F169 HydrophobicContact CB-CD2 3.97Å; V138-F169 HydrophobicContact CB-CG 4.36Å; V138-F169 HydrophobicContact CG1-CD2 3.83Å; V138-F169 HydrophobicContact CG1-CE2 3.93Å; V138-F169 HydrophobicContact CG1-CG 4.4Å; V138-F169 CarbonylContact O-C 3.56Å; V138-F169 WeakPolarHBondContact O-CA 3.36Å; V138-F169 WeakPolarHBondContact O-CD2 3.36Å; V143-F169 HydrophobicContact CG2-CZ 4.04Å; F144-F169 HydrophobicContact CE2-CE1 4.3Å; F144-F169 HydrophobicContact CZ-CE1 4.02Å; V153-F169 HydrophobicContact CG1-CE1 3.75Å; V153-F169 HydrophobicContact CG1-CZ 3.88Å; F157-F169 HydrophobicContact CB-CD1 4.15Å; F157-F169 HydrophobicContact CD1-CB 4.02Å; F157-F169 HydrophobicContact CD1-CD1 4.06Å; F157-F169 HydrophobicContact CD2-CB 3.85Å; F157-F169 HydrophobicContact CD2-CD1 4.39Å; F157-F169 HydrophobicContact CD2-CG 4.32Å; F157-F169 HydrophobicContact CE1-CB 3.78Å; F157-F169 HydrophobicContact CE2-CB 3.62Å; F157-F169 HydrophobicContact CG-CB 4.05Å; F157-F169 AromaticContact CG-CD1 3.94Å; F157-F169 HydrophobicContact CG-CD1 3.94Å; F157-F169 HydrophobicContact CG-CG 4.3Å; F157-F169 HydrophobicContact CZ-CB 3.57Å; F169-I223 CarbonylContact O-C 3.52Å; F169-I223 WeakPolarHBondContact O-CA 3.31Å; F169-I224 HydrophobicContact CB-CB 4.12Å; F169-I224 HydrophobicContact CD1-CB 4.46Å; F169-I224 HydrophobicContact CD1-CD1 4.17Å; F169-I224 PolarHBondContact N-O 3.19Å; F169-I224 PolarHBondContact O-N 3.35Å
170W98.6Very high93.5Very high3 Ų357.5 Ų57.51%0.01128%0.281CS..EExtended strand (participates in β ladder)trans-91.6113.5177.6-63.5-2.2000108.5L51 Y54 L55 L62 V137 V138 L139 G140 M221L51-W170 HydrophobicContact CD1-CB 4.16Å; Y54-W170 HydrophobicContact CD1-CD2 4.33Å; Y54-W170 AromaticContact CD1-CE3 3.88Å; Y54-W170 HydrophobicContact CD1-CE3 3.88Å; Y54-W170 HydrophobicContact CD1-CZ3 4.24Å; Y54-W170 AromaticContact CE1-CD2 3.74Å; Y54-W170 HydrophobicContact CE1-CD2 3.74Å; Y54-W170 AromaticContact CE1-CE3 3.6Å; Y54-W170 HydrophobicContact CE1-CE3 3.6Å; Y54-W170 HydrophobicContact CE1-CG 4.28Å; Y54-W170 HydrophobicContact CE1-CH2 4.25Å; Y54-W170 HydrophobicContact CE1-CZ2 4.38Å; Y54-W170 AromaticContact CE1-CZ3 3.86Å; Y54-W170 HydrophobicContact CE1-CZ3 3.86Å; L55-W170 HydrophobicContact CD2-CE3 3.82Å; L55-W170 HydrophobicContact CD2-CZ3 3.78Å; L62-W170 HydrophobicContact CD2-CH2 4.36Å; L62-W170 HydrophobicContact CD2-CZ3 3.97Å; V137-W170 HydrophobicContact CG1-CB 4.25Å; V137-W170 HydrophobicContact CG1-CD2 3.55Å; V137-W170 HydrophobicContact CG1-CE3 3.76Å; V137-W170 HydrophobicContact CG1-CG 3.8Å; V137-W170 HydrophobicContact CG1-CZ3 4.38Å; V137-W170 HydrophobicContact CG2-CH2 4.3Å; V137-W170 HydrophobicContact CG2-CZ2 4.16Å; V138-W170 PolarHBondContact O-N 3.26Å; L139-W170 WeakPolarHBondContact CA-O 3.11Å; L139-W170 HydrophobicContact CD2-CB 4.04Å; L139-W170 HydrophobicContact CD2-CE3 4.21Å; G140-W170 PolarHBondContact N-O 3.43Å; G140-W170 VanDerWaalsContact N-O 3.15Å; W170-M221 HydrophobicContact CB-CE 3.9Å; W170-M221 HydrophobicContact CG-CE 4.37Å
171T98.2Very high93.1Very high0 Ų060.4 Ų60.40%030%0.302CS..EExtended strand (participates in β ladder)trans-137.6143.1-171.1-175.60000111.7G140 F144 M221 M222 I224G140-T171 WeakPolarHBondContact O-CA 3.01Å; G140-T171 VanDerWaalsContact O-CB 3.3Å; G140-T171 WeakPolarHBondContact O-CB 3.34Å; G140-T171 PolarHBondContact O-OG1 3.32Å; F144-T171 HydrophobicContact CE2-CG2 4.06Å; T171-M221 VanDerWaalsContact O-SD 3.37Å; T171-M222 HydrophobicContact CG2-CB 3.95Å; T171-M222 HydrophobicContact CG2-CE 4.09Å; T171-M222 PolarHBondContact N-O 2.83Å; T171-M222 PolarHBondContact O-N 3.12Å; T171-I224 HydrophobicContact CG2-CD1 4.04Å; T171-I224 HydrophobicContact CG2-CG1 4.47Å
172T96.1Very high92.9Very high0 Ų060.8 Ų60.80%030%0.304CS..EExtended strand (participates in β ladder)trans-112.4144.6170.348.60000109.8C47 V50 L51 G140 D142 H220 M221C47-T172 VanDerWaalsContact C-OG1 3.3Å; C47-T172 WeakPolarHBondContact CB-OG1 3.45Å; C47-T172 PolarHBondContact O-OG1 3.02Å; V50-T172 HydrophobicContact CB-CG2 4.15Å; V50-T172 HydrophobicContact CG1-CG2 3.82Å; L51-T172 HydrophobicContact CB-CG2 3.81Å; L51-T172 HydrophobicContact CD1-CG2 4.41Å; G140-T172 PolarHBondContact O-N 2.94Å; D142-T172 WeakPolarHBondContact CA-O 3.14Å; D142-T172 PolarHBondContact N-O 2.64Å; T172-H220 CarbonylContact C-O 3.6Å; T172-H220 WeakPolarHBondContact CA-O 3.5Å; T172-M221 HydrophobicContact CG2-CB 4.29Å; T172-M221 HydrophobicContact CG2-SD 3.6Å
173Y91.4Very high92.8Very high27 Ų2756.1 Ų56.111%0.10629%0.291CS..EExtended strand (participates in β ladder)trans-137.5133.1-178.3164.1-108000110.3F144 V175 R176 V219 H220F144-Y173 HydrophobicContact CB-CD2 3.93Å; F144-Y173 HydrophobicContact CB-CE2 4.42Å; F144-Y173 VanDerWaalsContact O-CD2 3.27Å; F144-Y173 WeakPolarHBondContact O-CD2 3.45Å; F144-Y173 WeakPolarHBondContact O-CE2 3.1Å; Y173-V175 HydrophobicContact CD1-CG2 4.44Å; Y173-V175 HydrophobicContact CE1-CB 4.23Å; Y173-V175 HydrophobicContact CE1-CG2 3.93Å; Y173-R176 PolarHBondContact OH-N 3.26Å; Y173-V219 CarbonylContact O-C 3.6Å; Y173-V219 WeakPolarHBondContact O-CA 3.06Å; Y173-H220 PolarHBondContact N-O 3.29Å; Y173-H220 PolarHBondContact O-N 2.93Å
174Q90.2Very high92.8Very high50 Ų5055.6 Ų55.623%0.23430%0.302CS..EExtended strand (participates in β ladder)trans-94.4123.3169.2-176173.61.300110.8C47 D142 R176 T218 V219C47-Q174 PolarHBondContact SG-N 3.41Å; C47-Q174 VanDerWaalsContact SG-N 3.38Å; D142-Q174 PolarHBondContact OD1-N 3.46Å; D142-Q174 VanDerWaalsContact OD1-N 3.12Å; Q174-R176 PolarHBondContact O-N 3.08Å; Q174-R176 PolarHBondContact O-NH1 3.43Å; Q174-T218 CarbonylContact C-O 3.6Å; Q174-T218 WeakPolarHBondContact CA-O 3.41Å; Q174-V219 HydrophobicContact CB-CG2 4.35Å; Q174-V219 HydrophobicContact CG-CG2 4.49Å
175V86.5Confident92.7Very high58 Ų5855.7 Ų55.735%0.35230%0.302SS..  trans-59.4119.5178-174.80000110.6Y173 T218 H220Y173-V175 HydrophobicContact CD1-CG2 4.44Å; Y173-V175 HydrophobicContact CE1-CB 4.23Å; Y173-V175 HydrophobicContact CE1-CG2 3.93Å; V175-T218 PolarHBondContact N-O 3.07Å; V175-H220 WeakPolarHBondContact CG2-CD2 3.37Å; V175-H220 VanDerWaalsContact CG2-NE2 3.29Å; V175-H220 WeakPolarHBondContact CG2-NE2 3.04Å
176R86.3Confident92.7Very high96 Ų9654 Ų5436%0.36229%0.29SS..  trans-111-31.8176.6-73.7168.6175.381.5-5.2112.7D142 Y145 Y173 Q174 W180D142-R176 IonicContact OD1-CZ 2.88Å; D142-R176 IonicContact OD1-NH1 3.46Å; D142-R176 PolarHBondContact OD1-NH1 3.4Å; D142-R176 IonicContact OD1-NH2 3.61Å; D142-R176 IonicContact OD2-CZ 3.67Å; D142-R176 IonicContact OD2-NH1 2.79Å; D142-R176 PolarHBondContact OD2-NH1 3.13Å; D142-R176 IonicContact OD2-NH2 3.92Å; D142-R176 PolarHBondContact OD2-NH2 3.14Å; Y145-R176 VanDerWaalsContact CB-CZ 3.44Å; Y173-R176 PolarHBondContact OH-N 3.26Å; Q174-R176 PolarHBondContact O-N 3.08Å; Q174-R176 PolarHBondContact O-NH1 3.43Å; R176-W180 HydrophobicContact CB-CE3 4.09Å; R176-W180 HydrophobicContact CB-CH2 4.15Å; R176-W180 HydrophobicContact CB-CZ3 3.58Å; R176-W180 HydrophobicContact CG-CZ3 4.34Å
177S85.4Confident92.7Very high33 Ų3352.7 Ų52.723%0.23128%0.284CS..  trans-147.6140.4175177.90000109.4D179S177-D179 PolarHBondContact O-N 3.48Å; S177-D179 PolarHBondContact OG-N 2.86Å; S177-D179 VanDerWaalsContact OG-N 3.13Å
178S82.4Confident92.6Very high113 Ų11358.3 Ų58.379%0.7931%0.305SS*.THydrogen-bonded Turntrans-70.3-16.5171.652.10000113.1
179D86.3Confident92.5Very high139 Ų13958.9 Ų58.974%0.74331%0.305SS*.THydrogen-bonded Turntrans-86.8-13.3-176.3-58-26.7000112.3S177S177-D179 PolarHBondContact O-N 3.48Å; S177-D179 PolarHBondContact OG-N 2.86Å; S177-D179 VanDerWaalsContact OG-N 3.13Å
180W90.1Very high92.4Very high89 Ų8968 Ų6834%0.33734%0.339SS..  trans-83.6128178.7-66.1-3.5000110.3Y145 P147 F150 R176Y145-W180 WeakPolarHBondContact O-CH2 3.22Å; Y145-W180 WeakPolarHBondContact O-CZ3 3.12Å; P147-W180 HydrophobicContact CG-CH2 4.42Å; P147-W180 HydrophobicContact CG-CZ2 3.86Å; F150-W180 HydrophobicContact CE2-CB 4.14Å; F150-W180 HydrophobicContact CZ-CB 4.45Å; F150-W180 HydrophobicContact CZ-CD2 4.32Å; F150-W180 AromaticContact CZ-CE3 3.84Å; F150-W180 HydrophobicContact CZ-CE3 3.84Å; F150-W180 HydrophobicContact CZ-CZ3 4.47Å; R176-W180 HydrophobicContact CB-CE3 4.09Å; R176-W180 HydrophobicContact CB-CH2 4.15Å; R176-W180 HydrophobicContact CB-CZ3 3.58Å; R176-W180 HydrophobicContact CG-CZ3 4.34Å
181S89.8Confident92.3Very high71 Ų7168 Ų6850%0.49734%0.339SS..  trans-141.9137.9-179.3178.40000111.5E183S181-E183 WeakPolarHBondContact OG-CB 3.39Å; S181-E183 PolarHBondContact OG-N 3.3Å; S181-E183 VanDerWaalsContact OG-N 3.12Å
182L93.3Very high92.2Very high21 Ų2169.1 Ų69.111%0.1135%0.346CS..SBendtrans-86.2-9172-63.1177.4000112.6F144 F150 A184 L185 L186 M222F144-L182 HydrophobicContact CD1-CD1 4.05Å; F144-L182 HydrophobicContact CD1-CD2 3.62Å; F144-L182 HydrophobicContact CD1-CG 4.46Å; F144-L182 HydrophobicContact CD2-CD1 3.92Å; F144-L182 HydrophobicContact CE1-CD1 4.04Å; F144-L182 HydrophobicContact CE1-CD2 3.79Å; F144-L182 HydrophobicContact CE2-CD1 3.92Å; F144-L182 HydrophobicContact CG-CD1 3.98Å; F144-L182 HydrophobicContact CG-CD2 4.21Å; F144-L182 HydrophobicContact CZ-CD1 3.97Å; F150-L182 HydrophobicContact CB-CD2 4.02Å; F150-L182 HydrophobicContact CD2-CD2 3.53Å; F150-L182 HydrophobicContact CE2-CD2 4.17Å; F150-L182 HydrophobicContact CG-CD2 3.87Å; L182-A184 PolarHBondContact O-N 3.18Å; L182-L185 HydrophobicContact CD2-CD1 4.02Å; L182-L185 WeakPolarHBondContact O-CB 3.44Å; L182-L185 PolarHBondContact O-N 2.79Å; L182-L186 HydrophobicContact CB-CD1 4Å; L182-L186 HydrophobicContact CB-CG 4.15Å; L182-L186 WeakPolarHBondContact O-CB 3.27Å; L182-L186 VanDerWaalsContact O-CG 3.28Å; L182-L186 WeakPolarHBondContact O-CG 3.28Å; L182-L186 PolarHBondContact O-N 3.01Å; L182-M222 HydrophobicContact CD1-CE 4.35Å
183E93.2Very high92.2Very high88 Ų8871.4 Ų71.441%0.41136%0.362SS..Hα-helixtrans-57-47.8-168.5-173.9178.2177.700113.2S181 L185 L186 H187S181-E183 WeakPolarHBondContact OG-CB 3.39Å; S181-E183 PolarHBondContact OG-N 3.3Å; S181-E183 VanDerWaalsContact OG-N 3.12Å; E183-L185 VanDerWaalsContact C-N 3.32Å; E183-L185 PolarHBondContact O-N 2.77Å; E183-L186 PolarHBondContact O-N 3.34Å; E183-H187 WeakPolarHBondContact O-CB 3.48Å; E183-H187 PolarHBondContact O-N 3.12Å
184A94.4Very high92.4Very high75 Ų7574.3 Ų74.362%0.6238%0.382SS*.Hα-helixtrans-63.1-39.2178.500000112L182 R188L182-A184 PolarHBondContact O-N 3.18Å; A184-R188 WeakPolarHBondContact O-CB 3.45Å; A184-R188 PolarHBondContact O-N 2.68Å
185L96.6Very high92.7Very high30 Ų3075.6 Ų75.616%0.15740%0.397CS..Hα-helixtrans-69.2-45.9179.1-51.1176.2000110.8F150 E151 L154 L182 E183 H187 R188 W189F150-L185 HydrophobicContact CB-CD1 3.55Å; F150-L185 HydrophobicContact CD2-CD1 4.4Å; E151-L185 HydrophobicContact CB-CD2 4.43Å; L154-L185 HydrophobicContact CD1-CB 3.46Å; L154-L185 VanDerWaalsContact CD1-CB 3.46Å; L154-L185 HydrophobicContact CD1-CD1 4.06Å; L154-L185 HydrophobicContact CD1-CG 4.42Å; L182-L185 HydrophobicContact CD2-CD1 4.02Å; L182-L185 WeakPolarHBondContact O-CB 3.44Å; L182-L185 PolarHBondContact O-N 2.79Å; E183-L185 VanDerWaalsContact C-N 3.32Å; E183-L185 PolarHBondContact O-N 2.77Å; L185-H187 VanDerWaalsContact C-N 3.32Å; L185-H187 PolarHBondContact O-N 3.47Å; L185-R188 PolarHBondContact O-N 2.8Å; L185-W189 WeakPolarHBondContact O-CB 3.43Å; L185-W189 PolarHBondContact O-N 3.41Å
186L96.7Very high93.1Very high17 Ų1773.8 Ų73.89%0.08939%0.386CS..Hα-helixtrans-58.3-45.2176.3-68.8169.5000110.8L154 L182 E183 W189 R190 L191 C193 I224L154-L186 HydrophobicContact CD2-CD2 4.33Å; L182-L186 HydrophobicContact CB-CD1 4Å; L182-L186 HydrophobicContact CB-CG 4.15Å; L182-L186 WeakPolarHBondContact O-CB 3.27Å; L182-L186 VanDerWaalsContact O-CG 3.28Å; L182-L186 WeakPolarHBondContact O-CG 3.28Å; L182-L186 PolarHBondContact O-N 3.01Å; E183-L186 PolarHBondContact O-N 3.34Å; L186-W189 PolarHBondContact O-N 3.19Å; L186-R190 PolarHBondContact O-N 3.37Å; L186-R190 VanDerWaalsContact O-N 3.09Å; L186-L191 HydrophobicContact CB-CB 4.35Å; L186-L191 HydrophobicContact CD2-CB 3.66Å; L186-L191 HydrophobicContact CD2-CD1 4.11Å; L186-L191 PolarHBondContact O-N 3.34Å; L186-C193 HydrophobicContact CD1-CB 3.53Å; L186-C193 HydrophobicContact CD2-CB 4.49Å; L186-I224 HydrophobicContact CD2-CD1 4.24Å; L186-I224 HydrophobicContact CD2-CG1 4.33Å; L186-I224 HydrophobicContact CD2-CG2 3.68Å
187H95.6Very high93.5Very high129 Ų12972.6 Ų72.660%0.59739%0.39SS*.Hα-helixtrans-61-49.2175.6-178.5-87000112E183 L185 W189 R190E183-H187 WeakPolarHBondContact O-CB 3.48Å; E183-H187 PolarHBondContact O-N 3.12Å; L185-H187 VanDerWaalsContact C-N 3.32Å; L185-H187 PolarHBondContact O-N 3.47Å; H187-W189 VanDerWaalsContact C-N 3.27Å; H187-W189 PolarHBondContact O-N 2.97Å; H187-R190 PolarHBondContact O-N 3.33Å; H187-R190 VanDerWaalsContact O-N 3.17Å
188R96.3Very high93.9Very high118 Ų11872.5 Ų72.545%0.44539%0.387SS..Hα-helixtrans-57.6-40.5179.5-179.6176.458177.9-9.8112.2E151 A184 L185E151-R188 VanDerWaalsContact CG-NH2 3.34Å; E151-R188 IonicContact OE1-CZ 3.17Å; E151-R188 IonicContact OE1-NE 2.92Å; E151-R188 IonicContact OE1-NH1 2.83Å; E151-R188 PolarHBondContact OE1-NH1 3.4Å; E151-R188 IonicContact OE1-NH2 2.7Å; E151-R188 PolarHBondContact OE1-NH2 2.03Å; E151-R188 IonicContact OE2-CZ 2.78Å; E151-R188 IonicContact OE2-NH1 3.78Å; E151-R188 PolarHBondContact OE2-NH1 2.72Å; E151-R188 IonicContact OE2-NH2 2.95Å; E151-R188 PolarHBondContact OE2-NH2 3.13Å; A184-R188 WeakPolarHBondContact O-CB 3.45Å; A184-R188 PolarHBondContact O-N 2.68Å; L185-R188 PolarHBondContact O-N 2.8Å
189W96.6Very high94.3Very high80 Ų8070 Ų7030%0.30337%0.373SS..THydrogen-bonded Turntrans-90.87.2-177.8-67.8116.5000114.3E151 V155 V158 L185 L186 H187 L191E151-W189 HydrophobicContact CG-CZ2 4.44Å; E151-W189 WeakPolarHBondContact OE1-CZ2 3.46Å; V155-W189 HydrophobicContact CG2-CH2 3.86Å; V155-W189 HydrophobicContact CG2-CZ2 3.38Å; V158-W189 HydrophobicContact CG1-CE3 4.19Å; V158-W189 HydrophobicContact CG2-CB 3.95Å; V158-W189 HydrophobicContact CG2-CD2 4.39Å; V158-W189 HydrophobicContact CG2-CE3 4.25Å; V158-W189 HydrophobicContact CG2-CG 4.29Å; L185-W189 WeakPolarHBondContact O-CB 3.43Å; L185-W189 PolarHBondContact O-N 3.41Å; L186-W189 PolarHBondContact O-N 3.19Å; H187-W189 VanDerWaalsContact C-N 3.27Å; H187-W189 PolarHBondContact O-N 2.97Å; W189-L191 VanDerWaalsContact C-N 3.29Å; W189-L191 HydrophobicContact CB-CD1 4.03Å; W189-L191 HydrophobicContact CB-CG 4.07Å; W189-L191 PolarHBondContact O-N 2.76Å
190R96.4Very high94.6Very high192 Ų19268.1 Ų68.173%0.72536%0.363SS*.THydrogen-bonded Turntrans54.743.9-178-54.9-178.6179.3-172.8-0.8112.6L186 H187 R227L186-R190 PolarHBondContact O-N 3.37Å; L186-R190 VanDerWaalsContact O-N 3.09Å; H187-R190 PolarHBondContact O-N 3.33Å; H187-R190 VanDerWaalsContact O-N 3.17Å; R190-R227 VanDerWaalsContact O-CB 3.3Å; R190-R227 WeakPolarHBondContact O-CB 3.34Å; R190-R227 PolarHBondContact O-N 3.04Å
191L97.4Very high94.8Very high3 Ų364 Ų642%0.01635%0.348CS..EExtended strand (participates in β ladder)trans-105.6153.5175.1-59.2174.9000110.1L154 F157 V158 L161 L186 W189 I224 S225L154-L191 HydrophobicContact CD2-CD1 3.96Å; F157-L191 HydrophobicContact CD1-CD1 4.26Å; F157-L191 HydrophobicContact CD1-CD2 4.3Å; F157-L191 HydrophobicContact CE1-CD2 4.12Å; V158-L191 HydrophobicContact CG2-CD1 4.09Å; V158-L191 HydrophobicContact CG2-CD2 4.32Å; V158-L191 HydrophobicContact CG2-CG 4.42Å; L161-L191 HydrophobicContact CD1-CD2 3.63Å; L186-L191 HydrophobicContact CB-CB 4.35Å; L186-L191 HydrophobicContact CD2-CB 3.66Å; L186-L191 HydrophobicContact CD2-CD1 4.11Å; L186-L191 PolarHBondContact O-N 3.34Å; W189-L191 VanDerWaalsContact C-N 3.29Å; W189-L191 HydrophobicContact CB-CD1 4.03Å; W189-L191 HydrophobicContact CB-CG 4.07Å; W189-L191 PolarHBondContact O-N 2.76Å; L191-I224 HydrophobicContact CB-CG2 4Å; L191-I224 HydrophobicContact CD1-CG2 4Å; L191-I224 HydrophobicContact CG-CG2 4.41Å; L191-S225 CarbonylContact C-O 3.22Å; L191-S225 VanDerWaalsContact CA-O 3.3Å; L191-S225 WeakPolarHBondContact CA-O 3.28Å
192C96.1Very high94.7Very high22 Ų2262.6 Ų62.615%0.14935%0.345CS..EExtended strand (participates in β ladder)trans-116.4154.5166.859.40000109.3I224 S225 R227C192-I224 VanDerWaalsContact O-CA 3.28Å; C192-I224 WeakPolarHBondContact O-CA 3.44Å; C192-S225 PolarHBondContact N-O 2.9Å; C192-S225 PolarHBondContact O-N 2.91Å; C192-S225 PolarHBondContact SG-OG 3.28Å; C192-R227 HydrophobicContact CB-CB 4.32Å
193C95.9Very high94.6Very high49 Ų4961.8 Ų61.833%0.33134%0.341SS..EExtended strand (participates in β ladder)trans-132.6130.9179.6179.20000108.9L186 I223 I224L186-C193 HydrophobicContact CD1-CB 3.53Å; L186-C193 HydrophobicContact CD2-CB 4.49Å; C193-I223 CarbonylContact C-O 3.55Å; C193-I223 WeakPolarHBondContact CA-O 3.22Å; C193-I224 HydrophobicContact CB-CG1 4.12Å
194V96.1Very high94.3Very high88 Ų8862.1 Ų62.153%0.53335%0.345SS..EExtended strand (participates in β ladder)trans-116.9127.2175.1179.30000108.2M222 I223V194-M222 CarbonylContact O-C 3.6Å; V194-M222 WeakPolarHBondContact O-CA 3.37Å; V194-I223 PolarHBondContact N-O 2.79Å; V194-I223 PolarHBondContact O-N 3.5Å
195S95.2Very high93.7Very high76 Ų7660.1 Ų60.153%0.53133%0.333SS..EExtended strand (participates in β ladder)trans-80.8136.5172.2-174.90000110.2M221S195-M221 WeakPolarHBondContact CA-O 3.36Å; S195-M221 PolarHBondContact OG-O 2.94Å
196V96.1Very high92.7Very high21 Ų2163.3 Ų63.313%0.12736%0.356CS..EExtended strand (participates in β ladder)trans-107.3117.7175.1-174.20000108.6Y54 L198 F201 M221 I223Y54-V196 HydrophobicContact CE2-CG1 4Å; V196-L198 PolarHBondContact O-N 3.34Å; V196-F201 HydrophobicContact CB-CE1 4.49Å; V196-F201 HydrophobicContact CG1-CD1 4Å; V196-F201 HydrophobicContact CG1-CE1 3.87Å; V196-M221 HydrophobicContact CB-CB 4.2Å; V196-M221 HydrophobicContact CB-CG 3.79Å; V196-M221 HydrophobicContact CG2-CG 4.18Å; V196-M221 PolarHBondContact N-O 3.36Å; V196-I223 HydrophobicContact CG2-CD1 3.74Å; V196-I223 HydrophobicContact CG2-CG1 3.91Å
197P94.3Very high91.9Very high70 Ų7069.5 Ų69.546%0.45539%0.385SS..  trans-57.9132.2174.4-2433000112.1A199 D200 F201P197-A199 PolarHBondContact O-N 3.48Å; P197-D200 WeakPolarHBondContact CD-OD2 3.48Å; P197-D200 WeakPolarHBondContact O-CB 3.33Å; P197-D200 PolarHBondContact O-N 3Å; P197-D200 VanDerWaalsContact O-N 3.08Å; P197-F201 WeakPolarHBondContact O-CD1 3.18Å; P197-F201 WeakPolarHBondContact O-CE1 3.41Å
198L92.4Very high91.3Very high32 Ų3263.9 Ų63.917%0.16836%0.359CS..G310 helixtrans-61.7-30.2-179.5-60-170.6000113.2V50 V196 D200 F201 G202 A203 D204 M221V50-L198 HydrophobicContact CG1-CD2 3.65Å; V196-L198 PolarHBondContact O-N 3.34Å; L198-D200 PolarHBondContact O-N 3.18Å; L198-F201 HydrophobicContact CD2-CE1 3.93Å; L198-F201 HydrophobicContact CD2-CE2 4.32Å; L198-F201 HydrophobicContact CD2-CZ 3.41Å; L198-F201 VanDerWaalsContact CD2-CZ 3.41Å; L198-F201 PolarHBondContact O-N 3.23Å; L198-G202 PolarHBondContact O-N 3.23Å; L198-A203 HydrophobicContact CB-CB 4.16Å; L198-A203 HydrophobicContact CD2-CB 4.45Å; L198-A203 PolarHBondContact O-N 3.4Å; L198-D204 HydrophobicContact CB-CB 4.07Å; L198-M221 HydrophobicContact CD2-CB 3.98Å
199A91.7Very high90.6Very high60 Ų6058.9 Ų58.950%0.49634%0.343SS..G310 helixtrans-63.5-26.9177.200000112.8P197 F201 G202 D204P197-A199 PolarHBondContact O-N 3.48Å; A199-F201 PolarHBondContact O-N 3.14Å; A199-G202 PolarHBondContact O-N 2.91Å; A199-D204 HydrophobicContact CB-CB 4.38Å
200D93.3Very high89.6Confident99 Ų9958.2 Ų58.253%0.52936%0.361SS..G310 helixtrans-67.5-20.8-177.7-66.8-6.5000112.2F57 P197 L198F57-D200 VanDerWaalsContact CZ-O 3.22Å; F57-D200 WeakPolarHBondContact CZ-O 3.45Å; P197-D200 WeakPolarHBondContact CD-OD2 3.48Å; P197-D200 WeakPolarHBondContact O-CB 3.33Å; P197-D200 PolarHBondContact O-N 3Å; P197-D200 VanDerWaalsContact O-N 3.08Å; L198-D200 PolarHBondContact O-N 3.18Å
201F92.8Very high88.7Confident3 Ų349.7 Ų49.71%0.01333%0.331CS..G310 helixtrans-130.317.6-179.161.9-86000113.7V50 Q53 Y54 F57 V196 P197 L198 A199 A203 M221V50-F201 HydrophobicContact CG1-CE2 4.03Å; V50-F201 HydrophobicContact CG1-CZ 4.02Å; Q53-F201 HydrophobicContact CB-CD2 4.5Å; Q53-F201 HydrophobicContact CG-CD2 3.99Å; Q53-F201 WeakPolarHBondContact CG-O 3.34Å; Q53-F201 PolarHBondContact NE2-O 3.31Å; Y54-F201 HydrophobicContact CD2-CB 4.44Å; Y54-F201 AromaticContact CD2-CD1 3.79Å; Y54-F201 HydrophobicContact CD2-CD1 3.79Å; Y54-F201 HydrophobicContact CD2-CD2 4.14Å; Y54-F201 AromaticContact CD2-CE1 3.92Å; Y54-F201 HydrophobicContact CD2-CE1 3.92Å; Y54-F201 HydrophobicContact CD2-CE2 4.27Å; Y54-F201 AromaticContact CD2-CG 3.89Å; Y54-F201 HydrophobicContact CD2-CG 3.89Å; Y54-F201 HydrophobicContact CD2-CZ 4.15Å; Y54-F201 HydrophobicContact CE2-CD1 4.41Å; F57-F201 HydrophobicContact CB-CB 3.86Å; F57-F201 HydrophobicContact CD1-CB 3.83Å; F57-F201 HydrophobicContact CD2-CB 3.96Å; F57-F201 HydrophobicContact CE1-CB 4.33Å; F57-F201 HydrophobicContact CE2-CB 4.45Å; F57-F201 HydrophobicContact CG-CB 3.61Å; V196-F201 HydrophobicContact CB-CE1 4.49Å; V196-F201 HydrophobicContact CG1-CD1 4Å; V196-F201 HydrophobicContact CG1-CE1 3.87Å; P197-F201 WeakPolarHBondContact O-CD1 3.18Å; P197-F201 WeakPolarHBondContact O-CE1 3.41Å; L198-F201 HydrophobicContact CD2-CE1 3.93Å; L198-F201 HydrophobicContact CD2-CE2 4.32Å; L198-F201 HydrophobicContact CD2-CZ 3.41Å; L198-F201 VanDerWaalsContact CD2-CZ 3.41Å; L198-F201 PolarHBondContact O-N 3.23Å; A199-F201 PolarHBondContact O-N 3.14Å; F201-A203 HydrophobicContact CD2-CB 3.64Å; F201-A203 HydrophobicContact CE2-CB 3.25Å; F201-A203 HydrophobicContact CZ-CB 3.95Å; F201-M221 HydrophobicContact CE1-CB 4.19Å; F201-M221 HydrophobicContact CE1-CG 4.22Å; F201-M221 HydrophobicContact CZ-CB 3.95Å; F201-M221 HydrophobicContact CZ-CG 4.11Å
202G89.1Confident87.1Confident42 Ų4253.1 Ų53.143%0.43336%0.359SS..THydrogen-bonded Turntrans68.634.8172.600000114.7L198 A199L198-G202 PolarHBondContact O-N 3.23Å; A199-G202 PolarHBondContact O-N 2.91Å
203A89.9Confident85.5Confident4 Ų452.8 Ų52.83%0.03336%0.356CS..  trans-108.910.7179.300000113.8V50 Q53 L198 F201 L208V50-A203 HydrophobicContact CG1-CB 4.25Å; Q53-A203 HydrophobicContact CG-CB 4.12Å; L198-A203 HydrophobicContact CB-CB 4.16Å; L198-A203 HydrophobicContact CD2-CB 4.45Å; L198-A203 PolarHBondContact O-N 3.4Å; F201-A203 HydrophobicContact CD2-CB 3.64Å; F201-A203 HydrophobicContact CE2-CB 3.25Å; F201-A203 HydrophobicContact CZ-CB 3.95Å; A203-L208 HydrophobicContact CB-CD2 3.99Å
204D87.1Confident83.3Confident94 Ų9456.2 Ų56.250%0.50338%0.377SS..  trans-90.7-0.5-178.662.6-41.1000114.2L198 A199L198-D204 HydrophobicContact CB-CB 4.07Å; A199-D204 HydrophobicContact CB-CB 4.38Å
205G81.9Confident80.9Confident34 Ų3452.9 Ų52.935%0.35136%0.361SS..SBendtrans-75.6165.5177.500000114.9E207G205-E207 VanDerWaalsContact C-N 3.33Å
206C75.3Confident78.8Confident97 Ų9752.6 Ų52.666%0.65536%0.359SS*.SBendtrans-75-21175.755.30000113.9L213C206-L213 PolarHBondContact O-N 2.79Å
207E81.5Confident77Confident146 Ų14659.7 Ų59.768%0.68239%0.391SS*.EExtended strand (participates in β ladder)trans-126.5134.3174.8-67.6-175.9-174.800109.3G205 S211G205-E207 VanDerWaalsContact C-N 3.33Å; E207-S211 WeakPolarHBondContact CA-O 3.39Å
208L82.9Confident76.2Confident11 Ų1158.7 Ų58.76%0.05838%0.383CS..EExtended strand (participates in β ladder)trans-138.8124.5176.9-173.262.2000110V49 V50 Q53 A203 G210 S211 L213V49-L208 HydrophobicContact CG1-CB 4.11Å; V49-L208 HydrophobicContact CG1-CD2 3.89Å; V49-L208 HydrophobicContact CG1-CG 3.83Å; V50-L208 HydrophobicContact CG2-CD2 4.2Å; Q53-L208 HydrophobicContact CB-CD1 4.07Å; Q53-L208 HydrophobicContact CB-CD2 3.84Å; Q53-L208 HydrophobicContact CB-CG 4.3Å; Q53-L208 HydrophobicContact CG-CD1 3.8Å; Q53-L208 HydrophobicContact CG-CD2 4.28Å; A203-L208 HydrophobicContact CB-CD2 3.99Å; L208-G210 PolarHBondContact O-N 2.95Å; L208-G210 VanDerWaalsContact O-N 3.15Å; L208-S211 PolarHBondContact N-O 3.28Å; L208-S211 WeakPolarHBondContact O-CA 2.92Å; L208-S211 WeakPolarHBondContact O-CB 3.15Å; L208-S211 PolarHBondContact O-N 2.9Å; L208-L213 HydrophobicContact CB-CD1 3.45Å; L208-L213 VanDerWaalsContact CB-CD1 3.45Å; L208-L213 HydrophobicContact CB-CG 4.01Å; L208-L213 HydrophobicContact CD2-CD1 3.92Å; L208-L213 HydrophobicContact CG-CD1 4.34Å
209A81.2Confident76Confident13 Ų1357.7 Ų57.711%0.10738%0.379CS..THydrogen-bonded Turntrans50.236.8178.600000115.3F16 T17 F18 V49 S211F16-A209 WeakPolarHBondContact CA-O 3.44Å; F16-A209 HydrophobicContact CB-CB 4.31Å; F16-A209 HydrophobicContact CD1-CB 4.49Å; T17-A209 VanDerWaalsContact O-CA 3.3Å; T17-A209 WeakPolarHBondContact O-CA 2.87Å; F18-A209 HydrophobicContact CD1-CB 3.83Å; F18-A209 HydrophobicContact CD2-CB 4.41Å; F18-A209 HydrophobicContact CE1-CB 3.6Å; F18-A209 HydrophobicContact CE2-CB 4.21Å; F18-A209 HydrophobicContact CG-CB 4.23Å; F18-A209 HydrophobicContact CZ-CB 3.8Å; V49-A209 HydrophobicContact CG1-CB 4.1Å; A209-S211 VanDerWaalsContact C-N 3.3Å
210G76.1Confident76.1Confident66 Ų6658.5 Ų58.568%0.6837%0.372SS*.THydrogen-bonded Turntrans7814-177.200000114.1R14 L208R14-G210 PolarHBondContact NH2-O 3.41Å; L208-G210 PolarHBondContact O-N 2.95Å; L208-G210 VanDerWaalsContact O-N 3.15Å
211S75.8Confident76.2Confident14 Ų1453.8 Ų53.810%0.09835%0.347CS..EExtended strand (participates in β ladder)trans-108.7123.1169-162.40000110R14 E207 L208 A209 L213R14-S211 PolarHBondContact NH2-OG 3.16Å; E207-S211 WeakPolarHBondContact CA-O 3.39Å; L208-S211 PolarHBondContact N-O 3.28Å; L208-S211 WeakPolarHBondContact O-CA 2.92Å; L208-S211 WeakPolarHBondContact O-CB 3.15Å; L208-S211 PolarHBondContact O-N 2.9Å; A209-S211 VanDerWaalsContact C-N 3.3Å; S211-L213 PolarHBondContact O-N 3.05Å
212A65.3Low76.3Confident74 Ų7454.9 Ų54.961%0.61235%0.352SS*.EExtended strand (participates in β ladder)trans-64.8105.7161.800000106.3P214A212-P214 WeakPolarHBondContact O-CD 3.5Å
213L62.5Low76.8Confident16 Ų1654 Ų548%0.08434%0.337CS..  trans-75117.2173.2-74.9170.7000106.1P46 V50 C206 L208 S211 G215P46-L213 HydrophobicContact CB-CD2 3.82Å; V50-L213 HydrophobicContact CG2-CD1 4.45Å; V50-L213 HydrophobicContact CG2-CD2 4.49Å; C206-L213 PolarHBondContact O-N 2.79Å; L208-L213 HydrophobicContact CB-CD1 3.45Å; L208-L213 VanDerWaalsContact CB-CD1 3.45Å; L208-L213 HydrophobicContact CB-CG 4.01Å; L208-L213 HydrophobicContact CD2-CD1 3.92Å; L208-L213 HydrophobicContact CG-CD1 4.34Å; S211-L213 PolarHBondContact O-N 3.05Å; L213-G215 PolarHBondContact O-N 3.23Å
214P47.9Very low77.2Confident120 Ų12053.8 Ų53.878%0.77934%0.336SS*.SBendtrans-74.223.1175.830.3-33.9000113.3A212A212-P214 WeakPolarHBondContact O-CD 3.5Å
215G47.1Very low77.7Confident19 Ų1950.8 Ų50.820%0.19632%0.322CS..  trans-161.777.6-16900000114.6L213 H217L213-G215 PolarHBondContact O-N 3.23Å; G215-H217 PolarHBondContact O-N 2.86Å
216S51.4Low78.4Confident69 Ų6956 Ų5648%0.48333%0.331SS..THydrogen-bonded Turntrans-62.1135.5140.669.60000106.1
217H57.3Low79Confident171 Ų17154.6 Ų54.679%0.79231%0.312SS*.THydrogen-bonded Turntrans94.9-12.7177.4-41.390.3000120.2G215G215-H217 PolarHBondContact O-N 2.86Å
218T77.3Confident78.9Confident49 Ų4950.2 Ų50.230%0.30130%0.297SS..THydrogen-bonded Turntrans-112.1-17.4-17557.80000116Q174 V175Q174-T218 CarbonylContact C-O 3.6Å; Q174-T218 WeakPolarHBondContact CA-O 3.41Å; V175-T218 PolarHBondContact N-O 3.07Å
219V89.6Confident77.8Confident11 Ų1159.7 Ų59.77%0.06734%0.341CS..EExtended strand (participates in β ladder)trans-97.9131.6177.9-177.90000110.2P46 V50 Y173 Q174P46-V219 HydrophobicContact CB-CG2 4.43Å; V50-V219 HydrophobicContact CB-CG1 4.19Å; V50-V219 HydrophobicContact CG1-CG1 4.2Å; V50-V219 HydrophobicContact CG2-CG1 4.04Å; Y173-V219 CarbonylContact O-C 3.6Å; Y173-V219 WeakPolarHBondContact O-CA 3.06Å; Q174-V219 HydrophobicContact CB-CG2 4.35Å; Q174-V219 HydrophobicContact CG-CG2 4.49Å
220H91.9Very high76.8Confident77 Ų7765.4 Ų65.436%0.35638%0.375SS..EExtended strand (participates in β ladder)trans-113.5140.5172.9-63.4-83.2000110.2T172 Y173 V175T172-H220 CarbonylContact C-O 3.6Å; T172-H220 WeakPolarHBondContact CA-O 3.5Å; Y173-H220 PolarHBondContact N-O 3.29Å; Y173-H220 PolarHBondContact O-N 2.93Å; V175-H220 WeakPolarHBondContact CG2-CD2 3.37Å; V175-H220 VanDerWaalsContact CG2-NE2 3.29Å; V175-H220 WeakPolarHBondContact CG2-NE2 3.04Å
221M95.4Very high75.7Confident0 Ų065 Ų650%036%0.357CS..EExtended strand (participates in β ladder)trans-100.1134.6166.8175.763.3-172.100109.1L51 Y54 W170 T171 T172 S195 V196 L198 F201 I223L51-M221 HydrophobicContact CD1-CE 4.03Å; L51-M221 HydrophobicContact CD1-SD 3.97Å; Y54-M221 HydrophobicContact CD1-CE 3.42Å; Y54-M221 VanDerWaalsContact CD1-CE 3.42Å; Y54-M221 HydrophobicContact CD2-CE 4.1Å; Y54-M221 HydrophobicContact CD2-CG 4.39Å; Y54-M221 HydrophobicContact CE1-CE 3.59Å; Y54-M221 HydrophobicContact CE2-CE 4.26Å; Y54-M221 HydrophobicContact CG-CE 3.69Å; Y54-M221 HydrophobicContact CG-SD 4.37Å; W170-M221 HydrophobicContact CB-CE 3.9Å; W170-M221 HydrophobicContact CG-CE 4.37Å; T171-M221 VanDerWaalsContact O-SD 3.37Å; T172-M221 HydrophobicContact CG2-CB 4.29Å; T172-M221 HydrophobicContact CG2-SD 3.6Å; S195-M221 WeakPolarHBondContact CA-O 3.36Å; S195-M221 PolarHBondContact OG-O 2.94Å; V196-M221 HydrophobicContact CB-CB 4.2Å; V196-M221 HydrophobicContact CB-CG 3.79Å; V196-M221 HydrophobicContact CG2-CG 4.18Å; V196-M221 PolarHBondContact N-O 3.36Å; L198-M221 HydrophobicContact CD2-CB 3.98Å; F201-M221 HydrophobicContact CE1-CB 4.19Å; F201-M221 HydrophobicContact CE1-CG 4.22Å; F201-M221 HydrophobicContact CZ-CB 3.95Å; F201-M221 HydrophobicContact CZ-CG 4.11Å; M221-I223 HydrophobicContact CE-CG1 4.28Å
222M96.6Very high74.7Confident25 Ų2568.8 Ų68.812%0.12338%0.381CS..EExtended strand (participates in β ladder)trans-137.3145.9-177.8-64.1179.5-62.400110.7T171 L182 V194T171-M222 HydrophobicContact CG2-CB 3.95Å; T171-M222 HydrophobicContact CG2-CE 4.09Å; T171-M222 PolarHBondContact N-O 2.83Å; T171-M222 PolarHBondContact O-N 3.12Å; L182-M222 HydrophobicContact CD1-CE 4.35Å; V194-M222 CarbonylContact O-C 3.6Å; V194-M222 WeakPolarHBondContact O-CA 3.37Å
223I98.1Very high74Confident24 Ų2470.5 Ų70.512%0.12339%0.386CS..EExtended strand (participates in β ladder)trans-116.3117.5169.5-60.1174.8000107.3Y54 Q168 F169 C193 V194 V196 M221Y54-I223 WeakPolarHBondContact OH-CD1 3.37Å; Q168-I223 HydrophobicContact CB-CG2 4.19Å; Q168-I223 HydrophobicContact CG-CG2 4.36Å; F169-I223 CarbonylContact O-C 3.52Å; F169-I223 WeakPolarHBondContact O-CA 3.31Å; C193-I223 CarbonylContact C-O 3.55Å; C193-I223 WeakPolarHBondContact CA-O 3.22Å; V194-I223 PolarHBondContact N-O 2.79Å; V194-I223 PolarHBondContact O-N 3.5Å; V196-I223 HydrophobicContact CG2-CD1 3.74Å; V196-I223 HydrophobicContact CG2-CG1 3.91Å; M221-I223 HydrophobicContact CE-CG1 4.28Å
224I98.3Very high73.4Confident0 Ų072.4 Ų72.40%040%0.404CS..EExtended strand (participates in β ladder)trans-103.6133.8175.7-56.8167.8000108.6F144 L154 F157 F169 T171 L186 L191 C192 C193F144-I224 HydrophobicContact CE2-CD1 4.27Å; F144-I224 HydrophobicContact CZ-CD1 4.25Å; L154-I224 HydrophobicContact CD2-CD1 4.21Å; F157-I224 HydrophobicContact CD1-CG2 4.34Å; F157-I224 HydrophobicContact CE1-CG2 4.02Å; F169-I224 HydrophobicContact CB-CB 4.12Å; F169-I224 HydrophobicContact CD1-CB 4.46Å; F169-I224 HydrophobicContact CD1-CD1 4.17Å; F169-I224 PolarHBondContact N-O 3.19Å; F169-I224 PolarHBondContact O-N 3.35Å; T171-I224 HydrophobicContact CG2-CD1 4.04Å; T171-I224 HydrophobicContact CG2-CG1 4.47Å; L186-I224 HydrophobicContact CD2-CD1 4.24Å; L186-I224 HydrophobicContact CD2-CG1 4.33Å; L186-I224 HydrophobicContact CD2-CG2 3.68Å; L191-I224 HydrophobicContact CB-CG2 4Å; L191-I224 HydrophobicContact CD1-CG2 4Å; L191-I224 HydrophobicContact CG-CG2 4.41Å; C192-I224 VanDerWaalsContact O-CA 3.28Å; C192-I224 WeakPolarHBondContact O-CA 3.44Å; C193-I224 HydrophobicContact CB-CG1 4.12Å
225S97.8Very high73.3Confident30 Ų3075 Ų7521%0.2141%0.406CS..EExtended strand (participates in β ladder)trans-144.5170.417853.50000110.7L191 C192 R227L191-S225 CarbonylContact C-O 3.22Å; L191-S225 VanDerWaalsContact CA-O 3.3Å; L191-S225 WeakPolarHBondContact CA-O 3.28Å; C192-S225 PolarHBondContact N-O 2.9Å; C192-S225 PolarHBondContact O-N 2.91Å; C192-S225 PolarHBondContact SG-OG 3.28Å; S225-R227 PolarHBondContact O-N 3.11Å
226R96.3Very high73Confident143 Ų14377.1 Ų77.154%0.5443%0.427SS..EExtended strand (participates in β ladder)trans-60.7132.7171.5-172.4173.8178.3174.4-2.8109.5L161 S228L161-R226 HydrophobicContact CD1-CB 4.33Å; R226-S228 PolarHBondContact O-N 2.95Å
227R89.5Confident72.3Confident69 Ų6977.9 Ų77.926%0.2643%0.432SS..PPolyproline II helixtrans-67.7125.7173.3178.9174.9-95.4176-3.8109.1R190 C192 S225 D231R190-R227 VanDerWaalsContact O-CB 3.3Å; R190-R227 WeakPolarHBondContact O-CB 3.34Å; R190-R227 PolarHBondContact O-N 3.04Å; C192-R227 HydrophobicContact CB-CB 4.32Å; S225-R227 PolarHBondContact O-N 3.11Å; R227-D231 WeakPolarHBondContact CA-OD2 3.27Å; R227-D231 HydrophobicContact CG-CB 4.08Å
228S77.8Confident71.3Confident53 Ų5375.7 Ų75.737%0.37143%0.433SS..PPolyproline II helixtrans-77.7152.7170.989.70000109.8R226 V230 D231R226-S228 PolarHBondContact O-N 2.95Å; S228-V230 PolarHBondContact O-N 3.1Å; S228-V230 VanDerWaalsContact O-N 3.08Å; S228-V230 PolarHBondContact OG-N 2.97Å; S228-D231 PolarHBondContact N-OD2 3.41Å; S228-D231 PolarHBondContact O-N 3.18Å; S228-D231 PolarHBondContact OG-N 2.98Å; S228-D231 PolarHBondContact OG-OD1 3.44Å
229E61.4Low69.3Low210 Ų21078.7 Ų78.798%0.98146%0.457SS*.THydrogen-bonded Turntrans-63.9-11174.6-70.1-177.1169.900113
230V58.4Low66.6Low134 Ų13482.1 Ų82.181%0.81249%0.486SS*.THydrogen-bonded Turntrans-100.6-7.1-178-164.70000111.9S228S228-V230 PolarHBondContact O-N 3.1Å; S228-V230 VanDerWaalsContact O-N 3.08Å; S228-V230 PolarHBondContact OG-N 2.97Å
231D54.7Low63.9Low58 Ų5883.8 Ų83.831%0.3150%0.504SS..SBendtrans-68.6132.3179.8-67-13.8000110R227 S228R227-D231 WeakPolarHBondContact CA-OD2 3.27Å; R227-D231 HydrophobicContact CG-CB 4.08Å; S228-D231 PolarHBondContact N-OD2 3.41Å; S228-D231 PolarHBondContact O-N 3.18Å; S228-D231 PolarHBondContact OG-N 2.98Å; S228-D231 PolarHBondContact OG-OD1 3.44Å
232P53.8Low60.9Low92 Ų9295.5 Ų95.560%0.59755%0.548SS*.PPolyproline II helixtrans-58.7148.3175.923.6-31.3000110.3A234P232-A234 PolarHBondContact O-N 2.99Å
233P50.4Low58.1Low110 Ų110103 Ų10371%0.71458%0.583SS**PPolyproline II helixtrans-54.9143.2175.423.2-32000109.4Q235P233-Q235 PolarHBondContact O-N 3.24Å
234A51.3Low55Low56 Ų56106.5 Ų106.546%0.46361%0.614SS.*  trans-47.6111.817900000108.8P232 G236P232-A234 PolarHBondContact O-N 2.99Å; A234-G236 PolarHBondContact O-N 3.5Å
235Q44.3Very low51.9Low175 Ų175110.8 Ų110.882%0.81865%0.65SS**  trans-69.7123.9174.7-67.2-169.717.200106.6P233P233-Q235 PolarHBondContact O-N 3.24Å
236G42.3Very low48.7Very low63 Ų63115.5 Ų115.565%0.64968%0.682SS**  trans-49.8146.8-177.200000112.3A234A234-G236 PolarHBondContact O-N 3.5Å
237S35.3Very low45.7Very low85 Ų85119.7 Ų119.759%0.59470%0.697SS**  trans-38136.8-173.9-35.50000113.4S239S237-S239 PolarHBondContact O-N 2.87Å; S237-S239 VanDerWaalsContact O-N 3.08Å
238P37.6Very low43.1Very low125 Ų125121.8 Ų121.881%0.81272%0.723SS**PPolyproline II helixtrans-61.9118163.325.5-29.2000107.5A240P238-A240 PolarHBondContact O-N 2.91Å
239S34.2Very low41.1Very low113 Ų113123.6 Ų123.679%0.7974%0.741SS**PPolyproline II helixtrans-48.3127.6173.251.80000109.9S237S237-S239 PolarHBondContact O-N 2.87Å; S237-S239 VanDerWaalsContact O-N 3.08Å
240A33.2Very low39.9Very low82 Ų82117.8 Ų117.868%0.67873%0.729SS**PPolyproline II helixtrans-47.3142179.300000111.9P238 R242P238-A240 PolarHBondContact O-N 2.91Å; A240-R242 PolarHBondContact O-N 3.2Å
241P34.8Very low38.9Very low113 Ų113120.1 Ų120.173%0.73473%0.731SS**PPolyproline II helixtrans-61.7124.517624.7-30.7000109.2H243P241-H243 PolarHBondContact O-N 3.26Å
242R33.8Very low38Very low245 Ų245120.9 Ų120.993%0.92575%0.753SS**  trans-60.2107.8169.7-73.6-179.8165.4-147.6-3.4108A240 A244A240-R242 PolarHBondContact O-N 3.2Å; R242-A244 PolarHBondContact O-N 2.99Å
243H37.4Very low37.1Very low184 Ų184126.8 Ų126.885%0.85277%0.769SS**  trans-55.2112.6170.5-82-88.4000109.5P241 A245P241-H243 PolarHBondContact O-N 3.26Å; H243-A245 PolarHBondContact O-N 2.97Å
244A33.4Very low36.5Very low96 Ų96127.8 Ų127.879%0.79377%0.773SS**  trans-65.7112.5162.400000107.4R242 C246R242-A244 PolarHBondContact O-N 2.99Å; A244-C246 PolarHBondContact O-N 3.19Å
245A33Very low36Very low90 Ų90136.4 Ų136.474%0.74481%0.812SS**  trans-57.7109.5175.800000110H243 R247H243-A245 PolarHBondContact O-N 2.97Å; A245-R247 PolarHBondContact O-N 3.09Å; A245-R247 VanDerWaalsContact O-N 3.15Å
246C29.9Very low35.6Very low130 Ų130134.5 Ų134.588%0.87881%0.811SS**  trans-69.8106.2165.8-159.70000107.2A244 S248A244-C246 PolarHBondContact O-N 3.19Å; C246-S248 PolarHBondContact O-N 3.15Å
247R33.6Very low35.3Very low230 Ų230138.2 Ų138.287%0.86882%0.82SS**  trans-69.9119175.8-68.1-177.7-169.2-131.51.4108.5A245 A249A245-R247 PolarHBondContact O-N 3.09Å; A245-R247 VanDerWaalsContact O-N 3.15Å; R247-A249 PolarHBondContact O-N 3.28Å
248S34.9Very low35.3Very low114 Ų114141.2 Ų141.280%0.79783%0.832SS**  trans-57.7121.4165177.70000109.8C246C246-S248 PolarHBondContact O-N 3.15Å
249A34.4Very low35.1Very low90 Ų90142.1 Ų142.174%0.74483%0.833SS**  trans-94.692.7162.700000107.8R247R247-A249 PolarHBondContact O-N 3.28Å
250A36.9Very low35.2Very low89 Ų89143.9 Ų143.974%0.73684%0.836SS**  trans-83.1111.3160.900000108.6
251Q37.7Very low35.3Very low182 Ų182148.1 Ų148.185%0.8585%0.847SS**  trans-134.9112.8157.1-89.6137.10.200103.6
252G35.6Very low35.4Very low75 Ų75150.6 Ų150.677%0.77386%0.855SS**  cis103.488.344.500000107
253K34.2Very low35.5Very low215 Ų215143.3 Ų143.394%0.93585%0.849SS**  trans-148.792.8162.7-82.7-166.9177.4177.70109.6
254T38.5Very low35.3Very low132 Ų132139.9 Ų139.981%0.8185%0.849SS**  trans-96.2121145.938.70000106.7
255D41.7Very low35.5Very low236 Ų236143.9 Ų143.9100%1.26285%0.854SS**  trans155.30137.6-76-6.4000110

Retrieved 255 of 255 residues in 195.1 ms (Link to these results)

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