A0A096NUV5_PAPAN Loading...

BPI fold-containing family B member 1

AlphaFold DB , UniProt , Accession A0A096NUV5, Species PAPAN (Papio anubis, Olive baboon), Gene BPIFB1, Length 484 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
1M40.1Very low44.6Very low250 Ų250120.8 Ų120.8100%1.23267%0.669SS**  093.90-70.9175.1-178.400107.6
2A38.7Very low44.4Very low89 Ų89114.2 Ų114.274%0.73665%0.648SS**  trans-84.2129.4172.600000107.8
3G39.5Very low44.1Very low42 Ų42113.4 Ų113.443%0.43364%0.64SS.*  trans-71.4165.3-168.400000114.6W5 T6G3-W5 PolarHBondContact O-N 3.41Å; G3-T6 PolarHBondContact O-N 3.35Å; G3-T6 PolarHBondContact O-OG1 3.29Å; G3-T6 VanDerWaalsContact O-OG1 3.11Å
4P48.1Very low43.9Very low113 Ų113113.1 Ų113.173%0.73464%0.636SS**Hα-helixtrans-66.9-7.7-172.9-14.428.8000114.6T8P4-T8 PolarHBondContact O-OG1 3.19Å
5W45.5Very low43.4Very low210 Ų210110.3 Ų110.380%0.79563%0.632SS**Hα-helixtrans-88.5-21.1-175.7-96.250.1000114.4G3 T8 L9G3-W5 PolarHBondContact O-N 3.41Å; W5-T8 PolarHBondContact O-OG1 2.91Å; W5-L9 PolarHBondContact O-N 3.19Å
6T46.6Very low42.9Very low87 Ų87110.1 Ų110.153%0.53463%0.633SS.*Hα-helixtrans-78.7-26.2176.945.40000112.3G3 L10G3-T6 PolarHBondContact O-N 3.35Å; G3-T6 PolarHBondContact O-OG1 3.29Å; G3-T6 VanDerWaalsContact O-OG1 3.11Å; T6-L10 PolarHBondContact O-N 3.48Å
7F44.8Very low42.4Very low151 Ų151109 Ų10966%0.66263%0.629SS**Hα-helixtrans-75.9-34.3176.2-94.4-83.7000113.4C11F7-C11 WeakPolarHBondContact O-CB 3.32Å; F7-C11 PolarHBondContact O-N 3.45Å; F7-C11 VanDerWaalsContact O-N 3.08Å; F7-C11 PolarHBondContact O-SG 3.34Å
8T50.1Low41.9Very low93 Ų93111.3 Ų111.357%0.57164%0.638SS**Hα-helixtrans-73-35176.734.60000112.7P4 W5 G12P4-T8 PolarHBondContact O-OG1 3.19Å; W5-T8 PolarHBondContact O-OG1 2.91Å; T8-G12 PolarHBondContact O-N 3.24Å
9L46.6Very low41.6Very low107 Ų107112.7 Ų112.756%0.5664%0.642SS**Hα-helixtrans-70.1-36.8174.2-110144.8000112.5W5 G12 L13W5-L9 PolarHBondContact O-N 3.19Å; L9-G12 PolarHBondContact O-N 3.49Å; L9-L13 HydrophobicContact CD2-CD1 4.17Å; L9-L13 WeakPolarHBondContact O-CB 3.42Å; L9-L13 PolarHBondContact O-N 3.13Å
10L45Very low41.2Very low108 Ų108115.6 Ų115.657%0.56565%0.649SS**Hα-helixtrans-69.6-39175.7-141.879.4000111.9T6 L13 L14T6-L10 PolarHBondContact O-N 3.48Å; L10-L13 PolarHBondContact O-N 3.19Å; L10-L14 WeakPolarHBondContact O-CB 3.34Å; L10-L14 WeakPolarHBondContact O-CD1 3.48Å; L10-L14 WeakPolarHBondContact O-CG 3.36Å; L10-L14 PolarHBondContact O-N 3.1Å
11C45.8Very low40.9Very low79 Ų79113.7 Ų113.753%0.53465%0.648SS.*Hα-helixtrans-71-32.9174.8-66.10000112.7F7 A15F7-C11 WeakPolarHBondContact O-CB 3.32Å; F7-C11 PolarHBondContact O-N 3.45Å; F7-C11 VanDerWaalsContact O-N 3.08Å; F7-C11 PolarHBondContact O-SG 3.34Å; C11-A15 WeakPolarHBondContact O-CB 3.42Å; C11-A15 PolarHBondContact O-N 3.45Å; C11-A15 VanDerWaalsContact O-N 3.12Å
12G41.9Very low41Very low41 Ų41107.5 Ų107.542%0.42363%0.625SS.*Hα-helixtrans-70.5-3117400000114.1T8 L9 T16T8-G12 PolarHBondContact O-N 3.24Å; L9-G12 PolarHBondContact O-N 3.49Å; G12-T16 PolarHBondContact O-OG1 3.02Å
13L41.4Very low41.6Very low104 Ų104108.8 Ų108.855%0.54562%0.619SS.*Hα-helixtrans-83.2-25.7175.4-81.1159.4000113.2L9 L10 T17L9-L13 HydrophobicContact CD2-CD1 4.17Å; L9-L13 WeakPolarHBondContact O-CB 3.42Å; L9-L13 PolarHBondContact O-N 3.13Å; L10-L13 PolarHBondContact O-N 3.19Å; L13-T17 PolarHBondContact O-OG1 3.4Å
14L40.7Very low42.8Very low110 Ų110107.8 Ų107.858%0.57661%0.605SS**Hα-helixtrans-78.1-23.2171.1-76.1164.3000112.7L10L10-L14 WeakPolarHBondContact O-CB 3.34Å; L10-L14 WeakPolarHBondContact O-CD1 3.48Å; L10-L14 WeakPolarHBondContact O-CG 3.36Å; L10-L14 PolarHBondContact O-N 3.1Å
15A36Very low44.1Very low71 Ų71103.3 Ų103.359%0.58758%0.576SS**SBendtrans-77.8-20.8176.300000113.7C11C11-A15 WeakPolarHBondContact O-CB 3.42Å; C11-A15 PolarHBondContact O-N 3.45Å; C11-A15 VanDerWaalsContact O-N 3.12Å
16T36.3Very low46Very low106 Ų10693.3 Ų93.365%0.6554%0.538SS*.SBendtrans-101.21-176.5500000114.3G12G12-T16 PolarHBondContact O-OG1 3.02Å
17T33.8Very low48.1Very low92 Ų9289.1 Ų89.156%0.56451%0.513SS*.  trans-119.99.7176.752.20000114.5L13 I19L13-T17 PolarHBondContact O-OG1 3.4Å; T17-I19 PolarHBondContact O-N 3.28Å
18L33.8Very low50.4Low151 Ų15182 Ų8279%0.79148%0.481SS*.  trans-7260.4153.3-82.8153.3000108.9Q20L18-Q20 PolarHBondContact O-N 3.05Å; L18-Q20 VanDerWaalsContact O-N 3.14Å
19I35.3Very low52.4Low137 Ų13777.5 Ų77.570%0.70345%0.454SS*.  trans-44.8120.6145.1-62.7166.9000103.5T17 A21T17-I19 PolarHBondContact O-N 3.28Å; I19-A21 PolarHBondContact O-N 2.82Å
20Q34.4Very low54.6Low170 Ų17072.5 Ų72.579%0.79443%0.428SS*.  trans-37.6111.9169.7-88166.6-58.100106.5L18 T22L18-Q20 PolarHBondContact O-N 3.05Å; L18-Q20 VanDerWaalsContact O-N 3.14Å; Q20-T22 PolarHBondContact O-N 2.93Å
21A34.5Very low57Low76 Ų7667.4 Ų67.463%0.62840%0.401SS*.  trans-55103.2168.100000103.6I19 L23I19-A21 PolarHBondContact O-N 2.82Å; A21-L23 PolarHBondContact O-N 3.14Å
22T42.5Very low59.2Low120 Ų12063.7 Ų63.774%0.73638%0.376SS*.  trans-63.798.6179.837.70000103.6Q20 S24Q20-T22 PolarHBondContact O-N 2.93Å; T22-S24 PolarHBondContact O-N 3.5Å
23L51.9Low61.6Low116 Ų11663.1 Ų63.161%0.60737%0.365SS*.  trans-59.5113.6-179.1-73.7141000105.8A21 P25 N265A21-L23 PolarHBondContact O-N 3.14Å; L23-P25 WeakPolarHBondContact O-CD 3.25Å; L23-N265 VanDerWaalsContact C-OD1 3.25Å; L23-N265 WeakPolarHBondContact CA-OD1 3.48Å; L23-N265 WeakPolarHBondContact CB-OD1 3.48Å; L23-N265 HydrophobicContact CD2-CB 4.04Å
24S64.9Low64Low22 Ų2262.4 Ų62.415%0.15436%0.357CS..  trans-71116.3174.4-69.10000106.5T22 N265 S266T22-S24 PolarHBondContact O-N 3.5Å; S24-N265 PolarHBondContact N-OD1 2.7Å; S24-N265 PolarHBondContact O-OD1 2.94Å; S24-S266 PolarHBondContact O-N 2.78Å
25P73.3Confident66.5Low18 Ų1857.3 Ų57.312%0.11733%0.331CS..  trans-60.5151.5-177.727.6-35.6000109.8L23 V28 Y247 L270L23-P25 WeakPolarHBondContact O-CD 3.25Å; P25-V28 HydrophobicContact CB-CG2 3.81Å; P25-V28 HydrophobicContact CG-CG2 3.53Å; P25-Y247 HydrophobicContact CB-CD1 3.56Å; P25-Y247 HydrophobicContact CB-CE1 4.47Å; P25-Y247 HydrophobicContact CB-CG 4.13Å; P25-Y247 HydrophobicContact CG-CD1 3.55Å; P25-Y247 HydrophobicContact CG-CE1 3.98Å; P25-Y247 HydrophobicContact CG-CG 4.47Å; P25-L270 HydrophobicContact CG-CB 4.5Å; P25-L270 HydrophobicContact CG-CD1 4.36Å; P25-L270 WeakPolarHBondContact O-CD1 2.87Å
26T87.1Confident69.3Low0 Ų054.2 Ų54.20%030%0.304CS..SBendtrans-95-30.2-178.6-52.10000111.1L248 A250 F263 S285 V288T26-L248 PolarHBondContact N-O 3.28Å; T26-L248 VanDerWaalsContact N-O 3.13Å; T26-A250 HydrophobicContact CG2-CB 4.19Å; T26-F263 HydrophobicContact CG2-CB 3.41Å; T26-F263 VanDerWaalsContact CG2-CB 3.41Å; T26-F263 HydrophobicContact CG2-CG 4.22Å; T26-F263 PolarHBondContact OG1-O 3.48Å; T26-F263 VanDerWaalsContact OG1-O 3.14Å; T26-S285 WeakPolarHBondContact CG2-OG 3.47Å; T26-S285 VanDerWaalsContact O-CB 3.3Å; T26-S285 WeakPolarHBondContact O-CB 3.4Å; T26-S285 PolarHBondContact O-N 2.92Å; T26-S285 PolarHBondContact O-OG 3.31Å; T26-V288 HydrophobicContact CG2-CB 4.31Å; T26-V288 HydrophobicContact CG2-CG2 3.08Å
27A91.1Very high72Confident0 Ų051.5 Ų51.50%028%0.283CS..EExtended strand (participates in β ladder)trans-139.1155.4161.200000110.3F232 L248 F282 I283 V284A27-F232 HydrophobicContact CB-CD1 3.94Å; A27-F232 HydrophobicContact CB-CE1 3.53Å; A27-F232 HydrophobicContact CB-CZ 4.38Å; A27-L248 HydrophobicContact CB-CB 4.18Å; A27-L248 PolarHBondContact N-O 3.27Å; A27-L248 PolarHBondContact O-N 3.42Å; A27-F282 HydrophobicContact CB-CE2 3.86Å; A27-F282 HydrophobicContact CB-CZ 4.19Å; A27-I283 CarbonylContact C-O 3.57Å; A27-I283 WeakPolarHBondContact CA-O 3.4Å; A27-I283 VanDerWaalsContact CB-O 3.25Å; A27-I283 WeakPolarHBondContact CB-O 3.47Å; A27-V284 HydrophobicContact CB-CG2 4.2Å
28V91.6Very high74.9Confident0 Ų049.4 Ų49.40%027%0.267CS..EExtended strand (participates in β ladder)trans-134.3120.8178.6-168.40000109P25 I30 Q245 L246 Y247 L270 V272 F282 I283P25-V28 HydrophobicContact CB-CG2 3.81Å; P25-V28 HydrophobicContact CG-CG2 3.53Å; V28-I30 HydrophobicContact CG1-CG1 3.94Å; V28-Q245 HydrophobicContact CG1-CB 4.46Å; V28-L246 WeakPolarHBondContact CA-O 3.49Å; V28-Y247 HydrophobicContact CB-CD1 4.46Å; V28-Y247 HydrophobicContact CG1-CD1 3.91Å; V28-Y247 HydrophobicContact CG1-CE1 3.9Å; V28-Y247 HydrophobicContact CG2-CD1 3.83Å; V28-Y247 HydrophobicContact CG2-CE1 4.13Å; V28-L270 HydrophobicContact CG2-CD1 3.97Å; V28-V272 HydrophobicContact CG1-CG1 4.47Å; V28-V272 HydrophobicContact CG1-CG2 4.48Å; V28-V272 HydrophobicContact CG2-CG2 4.1Å; V28-F282 WeakPolarHBondContact O-CA 3.23Å; V28-I283 PolarHBondContact N-O 3.08Å; V28-I283 PolarHBondContact O-N 3.1Å
29L93.3Very high77.7Confident0 Ų043.1 Ų43.10%023%0.234CC..EExtended strand (participates in β ladder)trans-98115.6166.7178.461.7000108.8L31 V219 Q245 L246 F280 F282 V450 L454L29-L31 HydrophobicContact CD1-CD2 4.18Å; L29-L31 HydrophobicContact CD2-CD2 4.15Å; L29-L31 HydrophobicContact CG-CD2 3.97Å; L29-L31 HydrophobicContact CG-CG 4.38Å; L29-V219 HydrophobicContact CD2-CG1 3.81Å; L29-Q245 WeakPolarHBondContact O-CA 3.09Å; L29-L246 HydrophobicContact CB-CB 4.32Å; L29-L246 HydrophobicContact CD2-CD1 4.32Å; L29-L246 PolarHBondContact N-O 3.23Å; L29-L246 PolarHBondContact O-N 3.09Å; L29-F280 HydrophobicContact CD1-CD2 4.33Å; L29-F282 HydrophobicContact CB-CD2 3.96Å; L29-F282 HydrophobicContact CB-CE2 4.49Å; L29-F282 HydrophobicContact CD1-CB 3.95Å; L29-F282 HydrophobicContact CD1-CD2 4.25Å; L29-F282 HydrophobicContact CD1-CG 4.39Å; L29-V450 HydrophobicContact CD1-CG1 4.04Å; L29-V450 HydrophobicContact CD2-CG1 4.19Å; L29-L454 HydrophobicContact CD1-CD1 4.34Å
30I92.9Very high80.6Confident2 Ų236.7 Ų36.71%0.0120%0.201CC..EExtended strand (participates in β ladder)trans-104.7125.3178-38.6175.2000108.3V28 T243 I244 Q245 V272 L275 F280 S281 I283V28-I30 HydrophobicContact CG1-CG1 3.94Å; I30-T243 HydrophobicContact CG2-CG2 4.41Å; I30-I244 WeakPolarHBondContact CA-O 3.37Å; I30-Q245 HydrophobicContact CB-CG 4.46Å; I30-Q245 HydrophobicContact CG1-CG 4.34Å; I30-Q245 HydrophobicContact CG2-CG 3.86Å; I30-V272 HydrophobicContact CD1-CG1 3.35Å; I30-V272 HydrophobicContact CG1-CG1 4.12Å; I30-L275 HydrophobicContact CB-CD1 3.8Å; I30-L275 HydrophobicContact CB-CG 4.28Å; I30-L275 HydrophobicContact CG2-CD1 3.2Å; I30-L275 HydrophobicContact CG2-CG 3.81Å; I30-F280 CarbonylContact O-C 3.58Å; I30-F280 WeakPolarHBondContact O-CA 3.35Å; I30-F280 VanDerWaalsContact O-CB 3.31Å; I30-F280 WeakPolarHBondContact O-CB 3.42Å; I30-S281 PolarHBondContact N-O 3.43Å; I30-S281 PolarHBondContact O-N 3.34Å; I30-I283 HydrophobicContact CD1-CD1 3.99Å
31L93.9Very high83.5Confident1 Ų129.9 Ų29.91%0.00517%0.171CC..EExtended strand (participates in β ladder)trans-111.8119.8179-53.5171.1000108.8L29 V35 I36 L215 T243 I244 F280 L454L29-L31 HydrophobicContact CD1-CD2 4.18Å; L29-L31 HydrophobicContact CD2-CD2 4.15Å; L29-L31 HydrophobicContact CG-CD2 3.97Å; L29-L31 HydrophobicContact CG-CG 4.38Å; L31-V35 HydrophobicContact CD2-CG1 4.11Å; L31-I36 HydrophobicContact CB-CG1 4.39Å; L31-L215 HydrophobicContact CD1-CD1 3.51Å; L31-L215 HydrophobicContact CD1-CD2 3.63Å; L31-L215 HydrophobicContact CD1-CG 4.15Å; L31-L215 HydrophobicContact CD2-CD2 4.44Å; L31-T243 WeakPolarHBondContact O-CA 3.37Å; L31-I244 HydrophobicContact CB-CB 4.32Å; L31-I244 HydrophobicContact CD1-CB 4.44Å; L31-I244 HydrophobicContact CD1-CG2 4.33Å; L31-I244 PolarHBondContact N-O 3.36Å; L31-I244 PolarHBondContact O-N 2.85Å; L31-F280 HydrophobicContact CD2-CB 4.39Å; L31-L454 HydrophobicContact CD2-CD1 3.99Å; L31-L454 HydrophobicContact CD2-CD2 3.96Å
32G92.6Very high86.3Confident1 Ų128.7 Ų28.71%0.0115%0.152CC..  trans-85171.3177.300000113K34 V35 I36 P279G32-K34 PolarHBondContact O-N 3.11Å; G32-K34 VanDerWaalsContact O-N 3.09Å; G32-V35 PolarHBondContact O-N 3.37Å; G32-V35 VanDerWaalsContact O-N 3.09Å; G32-I36 WeakPolarHBondContact O-CG1 3.43Å; G32-I36 PolarHBondContact O-N 3.33Å; G32-P279 WeakPolarHBondContact CA-O 3.49Å; G32-P279 PolarHBondContact N-O 3.03Å
33P92.6Very high88.8Confident28 Ų2824.5 Ų24.518%0.18212%0.124CC..Hα-helixtrans-52.9-36.3-178.5-28.233.4000113.9I36 K37 V99 D242P33-I36 PolarHBondContact O-N 2.74Å; P33-K37 WeakPolarHBondContact O-CB 3.49Å; P33-K37 WeakPolarHBondContact O-CD 3.45Å; P33-K37 WeakPolarHBondContact O-CG 3.31Å; P33-K37 PolarHBondContact O-N 3.2Å; P33-V99 HydrophobicContact CB-CB 4.22Å; P33-D242 HydrophobicContact CG-CB 3.86Å; P33-D242 VanDerWaalsContact CG-CG 3.41Å; P33-D242 WeakPolarHBondContact CG-OD2 3.44Å
34K91.9Very high90.9Very high90 Ų9019.1 Ų19.139%0.39110%0.096SC..Hα-helixtrans-61.1-48-179.7-173.1175.5-178.5175.80111.4G32 E38 P279G32-K34 PolarHBondContact O-N 3.11Å; G32-K34 VanDerWaalsContact O-N 3.09Å; K34-E38 WeakPolarHBondContact O-CG 3.46Å; K34-E38 PolarHBondContact O-N 3.42Å; K34-E38 VanDerWaalsContact O-N 3.13Å; K34-P279 HydrophobicContact CB-CB 4.45Å; K34-P279 HydrophobicContact CD-CB 4.31Å; K34-P279 HydrophobicContact CD-CG 4.04Å
35V93.1Very high92.4Very high2 Ų224.9 Ų24.91%0.01212%0.118CC..Hα-helixtrans-67.3-42.9-179.4173.80000111L31 G32 K37 E38 K39 P279 F280 L454 F456L31-V35 HydrophobicContact CD2-CG1 4.11Å; G32-V35 PolarHBondContact O-N 3.37Å; G32-V35 VanDerWaalsContact O-N 3.09Å; V35-K37 PolarHBondContact O-N 3.2Å; V35-E38 PolarHBondContact O-N 2.84Å; V35-K39 HydrophobicContact CG1-CG 4.36Å; V35-K39 WeakPolarHBondContact O-CB 3.35Å; V35-K39 WeakPolarHBondContact O-CG 3.3Å; V35-K39 PolarHBondContact O-N 3.21Å; V35-P279 HydrophobicContact CG2-CB 3.9Å; V35-P279 VanDerWaalsContact CG2-O 3.22Å; V35-P279 WeakPolarHBondContact CG2-O 3.44Å; V35-F280 HydrophobicContact CG2-CB 4.35Å; V35-L454 HydrophobicContact CG1-CD2 3.86Å; V35-F456 HydrophobicContact CG2-CE2 3.92Å; V35-F456 HydrophobicContact CG2-CZ 4.15Å
36I94.1Very high93.4Very high7 Ų727.2 Ų27.24%0.03614%0.139CC..Hα-helixtrans-60.1-47.4178.6-60.3166.9000110.6L31 G32 P33 L40 V99 L108 M211 I244L31-I36 HydrophobicContact CB-CG1 4.39Å; G32-I36 WeakPolarHBondContact O-CG1 3.43Å; G32-I36 PolarHBondContact O-N 3.33Å; P33-I36 PolarHBondContact O-N 2.74Å; I36-L40 VanDerWaalsContact O-CB 3.23Å; I36-L40 WeakPolarHBondContact O-CB 3.23Å; I36-L40 PolarHBondContact O-N 3.43Å; I36-V99 HydrophobicContact CB-CG2 4.36Å; I36-V99 HydrophobicContact CD1-CG1 4.42Å; I36-V99 HydrophobicContact CG2-CG2 3.93Å; I36-L108 HydrophobicContact CD1-CD1 4.38Å; I36-M211 HydrophobicContact CG2-CE 4.47Å; I36-I244 HydrophobicContact CD1-CB 4.39Å; I36-I244 HydrophobicContact CD1-CD1 3.81Å; I36-I244 HydrophobicContact CD1-CG1 3.82Å; I36-I244 HydrophobicContact CG1-CD1 4.05Å
37K94.2Very high93.8Very high48 Ų4830.7 Ų30.721%0.20916%0.155CC..Hα-helixtrans-59-50.3178.3-72.6165.9-172.8-170.10111.9P33 V35 T41 L97 V99P33-K37 WeakPolarHBondContact O-CB 3.49Å; P33-K37 WeakPolarHBondContact O-CD 3.45Å; P33-K37 WeakPolarHBondContact O-CG 3.31Å; P33-K37 PolarHBondContact O-N 3.2Å; V35-K37 PolarHBondContact O-N 3.2Å; K37-T41 VanDerWaalsContact O-CB 3.26Å; K37-T41 WeakPolarHBondContact O-CB 3.37Å; K37-T41 PolarHBondContact O-N 2.77Å; K37-T41 PolarHBondContact O-OG1 2.95Å; K37-L97 HydrophobicContact CB-CB 4.38Å; K37-L97 WeakPolarHBondContact CD-O 3.25Å; K37-L97 VanDerWaalsContact CE-O 3.26Å; K37-L97 WeakPolarHBondContact CE-O 3.35Å; K37-L97 HydrophobicContact CG-CB 4.11Å; K37-L97 WeakPolarHBondContact CG-O 3.38Å; K37-V99 HydrophobicContact CG-CB 4.45Å; K37-V99 HydrophobicContact CG-CG2 3.66Å
38E93.1Very high94Very high48 Ų4835.6 Ų35.622%0.22418%0.182CC..Hα-helixtrans-66.5-46.3-175.1-68.7-60163.900111.7K34 V35 T41 Q42 W476K34-E38 WeakPolarHBondContact O-CG 3.46Å; K34-E38 PolarHBondContact O-N 3.42Å; K34-E38 VanDerWaalsContact O-N 3.13Å; V35-E38 PolarHBondContact O-N 2.84Å; E38-T41 PolarHBondContact O-N 3.49Å; E38-Q42 WeakPolarHBondContact O-CG 3.37Å; E38-Q42 PolarHBondContact O-N 3.04Å; E38-W476 HydrophobicContact CB-CD2 4.3Å; E38-W476 HydrophobicContact CB-CH2 3.86Å; E38-W476 HydrophobicContact CB-CZ2 3.53Å; E38-W476 HydrophobicContact CB-CZ3 4.4Å; E38-W476 HydrophobicContact CG-CD2 3.92Å; E38-W476 HydrophobicContact CG-CE3 4Å; E38-W476 HydrophobicContact CG-CH2 4.01Å; E38-W476 HydrophobicContact CG-CZ2 3.98Å; E38-W476 HydrophobicContact CG-CZ3 4.03Å; E38-W476 VanDerWaalsContact OE2-CH2 3.23Å; E38-W476 WeakPolarHBondContact OE2-CH2 3.49Å; E38-W476 VanDerWaalsContact OE2-CZ3 3.25Å; E38-W476 WeakPolarHBondContact OE2-CZ3 3.42Å
39K93.5Very high94.1Very high20 Ų2035.6 Ų35.69%0.08718%0.182CC..Hα-helixtrans-63.4-45.2178.2-75.3-70.9-173.8177.80112.1V35 T41 Q42 E43 M211 A453V35-K39 HydrophobicContact CG1-CG 4.36Å; V35-K39 WeakPolarHBondContact O-CB 3.35Å; V35-K39 WeakPolarHBondContact O-CG 3.3Å; V35-K39 PolarHBondContact O-N 3.21Å; K39-T41 VanDerWaalsContact C-N 3.3Å; K39-T41 PolarHBondContact O-N 2.77Å; K39-Q42 WeakPolarHBondContact O-CB 3.4Å; K39-Q42 PolarHBondContact O-N 2.62Å; K39-E43 PolarHBondContact O-N 3.13Å; K39-M211 HydrophobicContact CB-CG 3.86Å; K39-M211 HydrophobicContact CB-SD 3.9Å; K39-A453 VanDerWaalsContact CE-O 3.24Å; K39-A453 WeakPolarHBondContact CE-O 3.5Å; K39-A453 PolarHBondContact NZ-O 3.39Å
40L95.4Very high94.2Very high2 Ų237.6 Ų37.61%0.0119%0.194CC..Hα-helixtrans-65.6-35.2176.6-174.657.3000112.1I36 Q42 E43 L44 L97 V110 F208 M211I36-L40 VanDerWaalsContact O-CB 3.23Å; I36-L40 WeakPolarHBondContact O-CB 3.23Å; I36-L40 PolarHBondContact O-N 3.43Å; L40-Q42 VanDerWaalsContact C-N 3.34Å; L40-E43 PolarHBondContact O-N 3.43Å; L40-L44 HydrophobicContact CG-CD1 4.27Å; L40-L44 WeakPolarHBondContact O-CB 3.39Å; L40-L44 VanDerWaalsContact O-CG 3.28Å; L40-L44 WeakPolarHBondContact O-CG 3.36Å; L40-L44 PolarHBondContact O-N 3.43Å; L40-L97 HydrophobicContact CB-CD2 4.14Å; L40-L97 HydrophobicContact CD2-CD2 3.77Å; L40-L97 HydrophobicContact CG-CD2 3.89Å; L40-V110 HydrophobicContact CD2-CG1 3.76Å; L40-F208 HydrophobicContact CD1-CB 4.44Å; L40-M211 HydrophobicContact CB-SD 3.88Å
41T95.3Very high94.3Very high27 Ų2739.5 Ų39.517%0.16621%0.207CC..Hα-helixtrans-64.5-39.5174.7-59.20000111.7K37 E38 K39 K45K37-T41 VanDerWaalsContact O-CB 3.26Å; K37-T41 WeakPolarHBondContact O-CB 3.37Å; K37-T41 PolarHBondContact O-N 2.77Å; K37-T41 PolarHBondContact O-OG1 2.95Å; E38-T41 PolarHBondContact O-N 3.49Å; K39-T41 VanDerWaalsContact C-N 3.3Å; K39-T41 PolarHBondContact O-N 2.77Å; T41-K45 WeakPolarHBondContact O-CG 3.31Å; T41-K45 PolarHBondContact O-N 3.49Å; T41-K45 VanDerWaalsContact O-N 3.15Å
42Q94.3Very high94.3Very high50 Ų5041.4 Ų41.423%0.23422%0.217CC..Hα-helixtrans-62.3-45.8174.1-72.9177.3-21.800111.1E38 K39 L40 K45 A46E38-Q42 WeakPolarHBondContact O-CG 3.37Å; E38-Q42 PolarHBondContact O-N 3.04Å; K39-Q42 WeakPolarHBondContact O-CB 3.4Å; K39-Q42 PolarHBondContact O-N 2.62Å; L40-Q42 VanDerWaalsContact C-N 3.34Å; Q42-K45 WeakPolarHBondContact O-CB 3.29Å; Q42-K45 PolarHBondContact O-N 3.47Å; Q42-A46 PolarHBondContact O-N 3.48Å
43E95.7Very high94.3Very high33 Ų3341.4 Ų41.415%0.15422%0.217CC..Hα-helixtrans-65.3-40178.7-74.9-58.1126.800113.2K39 L40 K45 A46 H47 S207 M211K39-E43 PolarHBondContact O-N 3.13Å; L40-E43 PolarHBondContact O-N 3.43Å; E43-K45 VanDerWaalsContact C-N 3.26Å; E43-K45 PolarHBondContact O-N 2.95Å; E43-A46 PolarHBondContact O-N 2.97Å; E43-H47 PolarHBondContact O-N 3.22Å; E43-H47 PolarHBondContact O-ND1 2.93Å; E43-H47 IonicContact OE2-CE1 3.41Å; E43-H47 PolarHBondContact OE2-CE1 3.07Å; E43-H47 VanDerWaalsContact OE2-CE1 3.31Å; E43-H47 IonicContact OE2-ND1 3.3Å; E43-S207 WeakPolarHBondContact CB-O 3.46Å; E43-S207 WeakPolarHBondContact CG-O 3.36Å; E43-S207 PolarHBondContact O-OG 3.29Å; E43-M211 HydrophobicContact CG-CB 3.97Å
44L96.1Very high94.4Very high3 Ų344 Ų442%0.01623%0.226CC..Hα-helixtrans-60.8-37.4173.7-74.9167.2000111.8L40 N48 A49 I94 L97 I112 V203 I204 S207L40-L44 HydrophobicContact CG-CD1 4.27Å; L40-L44 WeakPolarHBondContact O-CB 3.39Å; L40-L44 VanDerWaalsContact O-CG 3.28Å; L40-L44 WeakPolarHBondContact O-CG 3.36Å; L40-L44 PolarHBondContact O-N 3.43Å; L44-N48 PolarHBondContact O-N 3.5Å; L44-A49 HydrophobicContact CB-CB 4.17Å; L44-A49 HydrophobicContact CD2-CB 4.19Å; L44-A49 WeakPolarHBondContact O-CB 3.41Å; L44-A49 PolarHBondContact O-N 2.89Å; L44-I94 HydrophobicContact CB-CD1 4.41Å; L44-L97 HydrophobicContact CD1-CD1 4.37Å; L44-L97 HydrophobicContact CD1-CD2 4.02Å; L44-I112 HydrophobicContact CD1-CD1 4.37Å; L44-I112 HydrophobicContact CD1-CG2 4.46Å; L44-V203 HydrophobicContact CD2-CG1 4.48Å; L44-I204 HydrophobicContact CD2-CG1 4.02Å; L44-S207 WeakPolarHBondContact CA-OG 3.47Å; L44-S207 PolarHBondContact N-OG 2.98Å
45K94.8Very high94.5Very high142 Ų14246.4 Ų46.462%0.61724%0.239SC*.Hα-helixtrans-68.2-44.2173.9-72171.9-178.5175.60111.3T41 Q42 E43 H47 N48T41-K45 WeakPolarHBondContact O-CG 3.31Å; T41-K45 PolarHBondContact O-N 3.49Å; T41-K45 VanDerWaalsContact O-N 3.15Å; Q42-K45 WeakPolarHBondContact O-CB 3.29Å; Q42-K45 PolarHBondContact O-N 3.47Å; E43-K45 VanDerWaalsContact C-N 3.26Å; E43-K45 PolarHBondContact O-N 2.95Å; K45-H47 VanDerWaalsContact C-N 3.25Å; K45-H47 PolarHBondContact O-N 3.45Å; K45-N48 PolarHBondContact O-N 3.34Å
46A95.3Very high94.5Very high68 Ų6846.6 Ų46.656%0.56224%0.24SC*.Hα-helixtrans-60.2-36.5178.200000112.1Q42 E43 N48Q42-A46 PolarHBondContact O-N 3.48Å; E43-A46 PolarHBondContact O-N 2.97Å; A46-N48 PolarHBondContact O-N 3.23Å
47H94.9Very high94.4Very high72 Ų7248.3 Ų48.333%0.33325%0.252SS..THydrogen-bonded Turntrans-86.317.1175.4-66.684.3000113.9E43 K45 A49 V203E43-H47 PolarHBondContact O-N 3.22Å; E43-H47 PolarHBondContact O-ND1 2.93Å; E43-H47 IonicContact OE2-CE1 3.41Å; E43-H47 PolarHBondContact OE2-CE1 3.07Å; E43-H47 VanDerWaalsContact OE2-CE1 3.31Å; E43-H47 IonicContact OE2-ND1 3.3Å; K45-H47 VanDerWaalsContact C-N 3.25Å; K45-H47 PolarHBondContact O-N 3.45Å; H47-A49 PolarHBondContact O-N 3.44Å; H47-V203 HydrophobicContact CB-CG1 3.77Å
48N94.9Very high94.1Very high104 Ų10446.1 Ų46.156%0.55624%0.242SC*.THydrogen-bonded Turntrans56.331.3174.2-61.9-57.9000114.6L44 K45 A46 T50 S51 I52L44-N48 PolarHBondContact O-N 3.5Å; K45-N48 PolarHBondContact O-N 3.34Å; A46-N48 PolarHBondContact O-N 3.23Å; N48-T50 PolarHBondContact O-N 3.37Å; N48-T50 VanDerWaalsContact O-N 3.15Å; N48-S51 WeakPolarHBondContact O-CA 3.45Å; N48-S51 WeakPolarHBondContact O-CB 3.47Å; N48-S51 PolarHBondContact O-N 3.29Å; N48-I52 PolarHBondContact O-N 3.33Å
49A94.7Very high93.8Very high0 Ų046.5 Ų46.50%025%0.246CC..Hα-helixtrans-53.3-40.8-175.900000112.9L44 H47 S51 I52 L53 I94 L200 V203L44-A49 HydrophobicContact CB-CB 4.17Å; L44-A49 HydrophobicContact CD2-CB 4.19Å; L44-A49 WeakPolarHBondContact O-CB 3.41Å; L44-A49 PolarHBondContact O-N 2.89Å; H47-A49 PolarHBondContact O-N 3.44Å; A49-S51 PolarHBondContact O-N 2.9Å; A49-I52 PolarHBondContact O-N 2.79Å; A49-L53 WeakPolarHBondContact O-CG 3.38Å; A49-L53 PolarHBondContact O-N 2.83Å; A49-I94 HydrophobicContact CB-CD1 3.54Å; A49-L200 HydrophobicContact CB-CD1 3.99Å; A49-V203 HydrophobicContact CB-CG1 3.84Å
50T94.3Very high93.3Very high42 Ų4248 Ų4826%0.25826%0.258SS..Hα-helixtrans-64.1-38.8176.3-52.10000112.9N48 L53 Q54 A92N48-T50 PolarHBondContact O-N 3.37Å; N48-T50 VanDerWaalsContact O-N 3.15Å; T50-L53 PolarHBondContact O-N 3.38Å; T50-Q54 WeakPolarHBondContact O-CG 3.41Å; T50-Q54 PolarHBondContact O-N 2.89Å; T50-A92 HydrophobicContact CG2-CB 4.21Å; T50-A92 WeakPolarHBondContact CG2-O 3.49Å
51S94.7Very high92.7Very high42 Ų4248.9 Ų48.929%0.29426%0.264SS..Hα-helixtrans-67.3-40.4177.3-173.10000110.9N48 A49 L53 Q54 Q55N48-S51 WeakPolarHBondContact O-CA 3.45Å; N48-S51 WeakPolarHBondContact O-CB 3.47Å; N48-S51 PolarHBondContact O-N 3.29Å; A49-S51 PolarHBondContact O-N 2.9Å; S51-L53 VanDerWaalsContact C-N 3.29Å; S51-L53 PolarHBondContact O-N 3.22Å; S51-Q54 WeakPolarHBondContact O-CB 3.35Å; S51-Q54 PolarHBondContact O-N 3.37Å; S51-Q55 WeakPolarHBondContact O-CG 3.3Å; S51-Q55 PolarHBondContact O-N 3.5Å
52I94Very high92.1Very high41 Ų4147.8 Ų47.821%0.2126%0.257CS..Hα-helixtrans-61.1-41.1175.4-66.8169.3000110.4N48 A49 Q54 Q55 L56 Q199 V203N48-I52 PolarHBondContact O-N 3.33Å; A49-I52 PolarHBondContact O-N 2.79Å; I52-Q54 VanDerWaalsContact C-N 3.32Å; I52-Q54 PolarHBondContact O-N 2.9Å; I52-Q55 CarbonylContact O-C 3.54Å; I52-Q55 PolarHBondContact O-N 2.8Å; I52-L56 PolarHBondContact O-N 2.93Å; I52-Q199 HydrophobicContact CG2-CB 4Å; I52-V203 HydrophobicContact CD1-CB 4.49Å; I52-V203 HydrophobicContact CD1-CG1 4.36Å; I52-V203 HydrophobicContact CD1-CG2 3.32Å
53L93.9Very high91.3Very high0 Ų053.2 Ų53.20%028%0.275CS..Hα-helixtrans-65.2-30.9173.2-68.5171.3000113.4A49 T50 S51 Q55 L56 V89 A92 I94 L114 M116 L200A49-L53 WeakPolarHBondContact O-CG 3.38Å; A49-L53 PolarHBondContact O-N 2.83Å; T50-L53 PolarHBondContact O-N 3.38Å; S51-L53 VanDerWaalsContact C-N 3.29Å; S51-L53 PolarHBondContact O-N 3.22Å; L53-Q55 VanDerWaalsContact C-N 3.33Å; L53-L56 HydrophobicContact CD2-CD1 4.11Å; L53-L56 WeakPolarHBondContact O-CG 3.41Å; L53-V89 WeakPolarHBondContact O-CB 3.48Å; L53-V89 WeakPolarHBondContact O-CG1 3.42Å; L53-V89 WeakPolarHBondContact O-CG2 3.3Å; L53-A92 HydrophobicContact CB-CB 3.57Å; L53-I94 HydrophobicContact CD1-CD1 4.49Å; L53-I94 HydrophobicContact CD1-CG1 4.05Å; L53-L114 HydrophobicContact CD1-CD1 4.42Å; L53-L114 HydrophobicContact CD1-CD2 3.99Å; L53-L114 HydrophobicContact CD2-CD1 4.12Å; L53-M116 HydrophobicContact CB-SD 4.41Å; L53-M116 HydrophobicContact CD2-SD 4.13Å; L53-L200 HydrophobicContact CD2-CD1 4.49Å; L53-L200 HydrophobicContact CD2-CD2 4.41Å; L53-L200 HydrophobicContact CG-CD1 4.43Å
54Q94.3Very high90Very high82 Ų8258.9 Ų58.938%0.38330%0.302SS..Hα-helixtrans-74.3-26.7174-70.4173.30.700112.6T50 S51 I52 L56 A92T50-Q54 WeakPolarHBondContact O-CG 3.41Å; T50-Q54 PolarHBondContact O-N 2.89Å; S51-Q54 WeakPolarHBondContact O-CB 3.35Å; S51-Q54 PolarHBondContact O-N 3.37Å; I52-Q54 VanDerWaalsContact C-N 3.32Å; I52-Q54 PolarHBondContact O-N 2.9Å; Q54-L56 VanDerWaalsContact C-N 3.33Å; Q54-A92 HydrophobicContact CG-CB 3.79Å
55Q94Very high88.5Confident142 Ų14263.8 Ų63.866%0.66433%0.325SS*.THydrogen-bonded Turntrans-94.713.5-178.1-65.7177.17.200113.1S51 I52 L53S51-Q55 WeakPolarHBondContact O-CG 3.3Å; S51-Q55 PolarHBondContact O-N 3.5Å; I52-Q55 CarbonylContact O-C 3.54Å; I52-Q55 PolarHBondContact O-N 2.8Å; L53-Q55 VanDerWaalsContact C-N 3.33Å
56L93Very high86.5Confident5 Ų558.6 Ų58.63%0.02631%0.306CS..  trans-54.7126.7179.4-78.1-173.8000111.6I52 L53 Q54 L58 V89 M116 L192 L195 V196 Q199I52-L56 PolarHBondContact O-N 2.93Å; L53-L56 HydrophobicContact CD2-CD1 4.11Å; L53-L56 WeakPolarHBondContact O-CG 3.41Å; Q54-L56 VanDerWaalsContact C-N 3.33Å; L56-L58 HydrophobicContact CB-CD2 4.16Å; L56-L58 HydrophobicContact CB-CG 4.37Å; L56-L58 PolarHBondContact O-N 3.39Å; L56-V89 HydrophobicContact CB-CG2 4.01Å; L56-V89 HydrophobicContact CD1-CG2 4.31Å; L56-M116 HydrophobicContact CD1-SD 3.8Å; L56-L192 HydrophobicContact CD1-CD1 4.43Å; L56-L195 HydrophobicContact CB-CD2 3.58Å; L56-L195 HydrophobicContact CD1-CD2 3.54Å; L56-L195 HydrophobicContact CD2-CD2 3.39Å; L56-L195 HydrophobicContact CG-CD2 3.58Å; L56-V196 HydrophobicContact CD1-CG2 4.16Å; L56-Q199 HydrophobicContact CD2-CB 3.73Å; L56-Q199 HydrophobicContact CD2-CG 3.74Å
57P91.4Very high84.4Confident43 Ų4357.2 Ų57.228%0.27929%0.294SS..  trans-80.456.2-174.333.8-37.6000112.4L59 S60 T61 L195P57-L59 VanDerWaalsContact C-N 3.33Å; P57-L59 PolarHBondContact O-N 2.84Å; P57-S60 WeakPolarHBondContact CB-OG 3.37Å; P57-S60 PolarHBondContact O-N 2.81Å; P57-S60 PolarHBondContact O-OG 2.92Å; P57-T61 PolarHBondContact O-N 3.03Å; P57-T61 VanDerWaalsContact O-N 3.09Å; P57-T61 PolarHBondContact O-OG1 2.68Å; P57-L195 HydrophobicContact CG-CD1 4.04Å
58L89.4Confident82.3Confident3 Ų357.6 Ų57.62%0.01632%0.317CS..Hα-helixtrans-53.1-47.2-172.1-61.9-176.9000112.7L56 I62 L87 V89 A118 L188 L192 L195L56-L58 HydrophobicContact CB-CD2 4.16Å; L56-L58 HydrophobicContact CB-CG 4.37Å; L56-L58 PolarHBondContact O-N 3.39Å; L58-I62 WeakPolarHBondContact O-CD1 3.29Å; L58-I62 VanDerWaalsContact O-CG1 3.32Å; L58-I62 WeakPolarHBondContact O-CG1 3.29Å; L58-I62 PolarHBondContact O-N 2.95Å; L58-I62 VanDerWaalsContact O-N 3.14Å; L58-L87 HydrophobicContact CB-CD2 3.96Å; L58-L87 HydrophobicContact CB-CG 3.87Å; L58-L87 HydrophobicContact CD1-CD1 4.28Å; L58-L87 HydrophobicContact CD1-CG 4.13Å; L58-V89 HydrophobicContact CD1-CG2 3.83Å; L58-V89 HydrophobicContact CG-CG2 4.29Å; L58-A118 HydrophobicContact CD1-CB 3.79Å; L58-L188 HydrophobicContact CB-CD2 4.31Å; L58-L188 HydrophobicContact CD1-CD2 4.23Å; L58-L188 HydrophobicContact CD2-CD2 4.07Å; L58-L188 HydrophobicContact CG-CD2 4.44Å; L58-L192 HydrophobicContact CD2-CD1 3.96Å; L58-L195 HydrophobicContact CD2-CD1 4.25Å; L58-L195 HydrophobicContact CD2-CD2 4.15Å
59L86.3Confident80Confident56 Ų5656 Ų5629%0.29333%0.325SS..Hα-helixtrans-68.6-45.9-174.7-17365.6000113.1P57 R63 L81 V84 L87P57-L59 VanDerWaalsContact C-N 3.33Å; P57-L59 PolarHBondContact O-N 2.84Å; L59-R63 PolarHBondContact O-N 2.87Å; L59-L81 HydrophobicContact CD1-CD1 4.2Å; L59-L81 HydrophobicContact CD1-CD2 3.65Å; L59-L81 HydrophobicContact CD1-CG 4.45Å; L59-V84 HydrophobicContact CD1-CG1 4.39Å; L59-L87 HydrophobicContact CB-CB 4.29Å; L59-L87 HydrophobicContact CD1-CB 4.26Å
60S82.5Confident77.7Confident50 Ų5060.4 Ų60.435%0.3535%0.348SS..Hα-helixtrans-69.4-38.3-17948.70000111.2P57 R63 E64P57-S60 WeakPolarHBondContact CB-OG 3.37Å; P57-S60 PolarHBondContact O-N 2.81Å; P57-S60 PolarHBondContact O-OG 2.92Å; S60-R63 WeakPolarHBondContact O-CB 3.42Å; S60-R63 PolarHBondContact O-N 3.3Å; S60-R63 VanDerWaalsContact O-N 3.12Å; S60-E64 WeakPolarHBondContact O-CB 3.36Å; S60-E64 WeakPolarHBondContact O-CG 3.41Å; S60-E64 PolarHBondContact O-N 2.9Å
61T82.6Confident75.5Confident21 Ų2164.2 Ų64.213%0.12937%0.373CS..Hα-helixtrans-67.6-40.3178.3-60.60000112.7P57 R63 E64 Q65 A191 L195P57-T61 PolarHBondContact O-N 3.03Å; P57-T61 VanDerWaalsContact O-N 3.09Å; P57-T61 PolarHBondContact O-OG1 2.68Å; T61-R63 PolarHBondContact O-N 3.37Å; T61-E64 PolarHBondContact O-N 3.2Å; T61-Q65 PolarHBondContact O-N 3.11Å; T61-A191 HydrophobicContact CG2-CB 4.44Å; T61-L195 HydrophobicContact CG2-CB 4.45Å; T61-L195 HydrophobicContact CG2-CD1 3.89Å; T61-L195 WeakPolarHBondContact OG1-CD1 3.46Å
62I83Confident73.3Confident4 Ų467.6 Ų67.62%0.02139%0.392CS..Hα-helixtrans-60.4-33.9172.4-72.6164.3000111.4L58 V77 L81 L87 L187 L188 A191L58-I62 WeakPolarHBondContact O-CD1 3.29Å; L58-I62 VanDerWaalsContact O-CG1 3.32Å; L58-I62 WeakPolarHBondContact O-CG1 3.29Å; L58-I62 PolarHBondContact O-N 2.95Å; L58-I62 VanDerWaalsContact O-N 3.14Å; I62-V77 HydrophobicContact CG2-CG1 4.07Å; I62-L81 HydrophobicContact CG2-CD1 4.27Å; I62-L81 HydrophobicContact CG2-CD2 4.44Å; I62-L87 HydrophobicContact CD1-CD2 3.62Å; I62-L187 HydrophobicContact CD1-CB 4.23Å; I62-L187 HydrophobicContact CG1-CB 4.28Å; I62-L187 HydrophobicContact CG2-CB 3.8Å; I62-L187 HydrophobicContact CG2-CD1 3.78Å; I62-L187 HydrophobicContact CG2-CG 4.26Å; I62-L188 HydrophobicContact CD1-CD2 3.62Å; I62-L188 HydrophobicContact CD1-CG 3.93Å; I62-A191 HydrophobicContact CG1-CB 4.26Å
63R77.7Confident71.4Confident165 Ų16568.6 Ų68.662%0.62340%0.397SS*.Hα-helixtrans-74.3-36.7-179.8-161.3179-148.7167.56.8112.9L59 S60 T61 L81L59-R63 PolarHBondContact O-N 2.87Å; S60-R63 WeakPolarHBondContact O-CB 3.42Å; S60-R63 PolarHBondContact O-N 3.3Å; S60-R63 VanDerWaalsContact O-N 3.12Å; T61-R63 PolarHBondContact O-N 3.37Å; R63-L81 HydrophobicContact CB-CD1 4.33Å; R63-L81 HydrophobicContact CG-CD1 4.49Å
64E69.2Low69.9Low151 Ų15169.8 Ų69.871%0.70641%0.41SS*.Hα-helixtrans-90.6-28-174-70.8171.9-169.900113.3S60 T61 P66S60-E64 WeakPolarHBondContact O-CB 3.36Å; S60-E64 WeakPolarHBondContact O-CG 3.41Å; S60-E64 PolarHBondContact O-N 2.9Å; T61-E64 PolarHBondContact O-N 3.2Å; E64-P66 WeakPolarHBondContact O-CD 3.36Å
65Q62.7Low68.5Low107 Ų10769.8 Ų69.850%0.542%0.418SS..  trans-124.280.7178.5-72-176.5-25.800111T61 A67T61-Q65 PolarHBondContact O-N 3.11Å; Q65-A67 PolarHBondContact O-N 2.9Å
66P54.6Low67.5Low33 Ų3366 Ų6621%0.21441%0.405CS..  trans-60.3131.6164.1-5.518.6000107.9E64 G68 G69 L73 V77E64-P66 WeakPolarHBondContact O-CD 3.36Å; P66-G68 PolarHBondContact O-N 2.92Å; P66-G68 VanDerWaalsContact O-N 3.08Å; P66-G69 PolarHBondContact O-N 2.81Å; P66-L73 HydrophobicContact CB-CB 3.98Å; P66-V77 HydrophobicContact CB-CG2 4.37Å
67A49.9Very low66.8Low39 Ų3965.9 Ų65.932%0.32241%0.405SS..G310 helixtrans-31.2112.5-176.200000113.4Q65 G69 L73 P190Q65-A67 PolarHBondContact O-N 2.9Å; A67-G69 PolarHBondContact O-N 3.31Å; A67-L73 HydrophobicContact CB-CD1 4.13Å; A67-P190 HydrophobicContact CB-CB 4.03Å; A67-P190 HydrophobicContact CB-CG 3.81Å
68G50.5Low66.3Low79 Ų7968.2 Ų68.281%0.81442%0.415SS*.G310 helixtrans76.117.2168.600000117.7P66 I70P66-G68 PolarHBondContact O-N 2.92Å; P66-G68 VanDerWaalsContact O-N 3.08Å; G68-I70 PolarHBondContact O-N 3.11Å
69G47.1Very low65.9Low70 Ų7072.2 Ų72.272%0.72244%0.439SS*.G310 helixtrans70.218.5174.800000114.2P66 A67 P71P66-G69 PolarHBondContact O-N 2.81Å; A67-G69 PolarHBondContact O-N 3.31Å; G69-P71 WeakPolarHBondContact O-CD 3.28Å
70I46.8Very low65.8Low94 Ų9470 Ų7048%0.48243%0.428SS..  trans-88.4116.5179.6-56.5175.1000109G68 V72 L73G68-I70 PolarHBondContact O-N 3.11Å; I70-V72 HydrophobicContact CG2-CB 4.19Å; I70-V72 HydrophobicContact CG2-CG2 4.08Å; I70-V72 PolarHBondContact O-N 3.07Å; I70-L73 PolarHBondContact O-N 2.73Å
71P47Very low65.9Low121 Ų12168.5 Ų68.579%0.78642%0.416SS*.G310 helixtrans-60.9-18.8-174.8-22.731.6000115.1G69 L73G69-P71 WeakPolarHBondContact O-CD 3.28Å; P71-L73 VanDerWaalsContact C-N 3.29Å; P71-L73 PolarHBondContact O-N 2.86Å
72V48.6Very low66.1Low113 Ų11375.4 Ų75.469%0.68544%0.444SS*.G310 helixtrans-74.4-16.8-170.7-169.30000112.8I70I70-V72 HydrophobicContact CG2-CB 4.19Å; I70-V72 HydrophobicContact CG2-CG2 4.08Å; I70-V72 PolarHBondContact O-N 3.07Å
73L55.6Low66.3Low63 Ų6380.1 Ų80.133%0.3346%0.463SS..G310 helixtrans-89.3-11.8-177.5-72.6166.5000114.8P66 A67 I70 P71 S75 V76 V77P66-L73 HydrophobicContact CB-CB 3.98Å; A67-L73 HydrophobicContact CB-CD1 4.13Å; I70-L73 PolarHBondContact O-N 2.73Å; P71-L73 VanDerWaalsContact C-N 3.29Å; P71-L73 PolarHBondContact O-N 2.86Å; L73-S75 VanDerWaalsContact C-N 3.28Å; L73-S75 PolarHBondContact O-N 3.45Å; L73-V76 PolarHBondContact O-N 3.21Å; L73-V76 VanDerWaalsContact O-N 3.13Å; L73-V77 WeakPolarHBondContact O-CG2 3.23Å; L73-V77 PolarHBondContact O-N 3.49Å
74G60.9Low66.9Low25 Ų2573 Ų7326%0.25844%0.437SS..Hα-helixtrans-62.3-31.1-176.300000114.3N78G74-N78 WeakPolarHBondContact O-CB 3.48Å; G74-N78 PolarHBondContact O-N 3.34Å; G74-N78 VanDerWaalsContact O-N 3.15Å; G74-N78 PolarHBondContact O-ND2 3.18Å
75S65.6Low67.7Low81 Ų8170.7 Ų70.757%0.56643%0.429SS*.Hα-helixtrans-70.3-37.3175.860.20000112.3L73 T79L73-S75 VanDerWaalsContact C-N 3.28Å; L73-S75 PolarHBondContact O-N 3.45Å; S75-T79 WeakPolarHBondContact O-CB 3.14Å; S75-T79 PolarHBondContact O-N 2.86Å; S75-T79 VanDerWaalsContact O-N 3.12Å; S75-T79 PolarHBondContact O-OG1 2.89Å
76V72.1Confident69.1Low62 Ų6268.8 Ų68.838%0.37642%0.417SS..Hα-helixtrans-69.6-47.5177.2-179.70000110.1L73 N78 T79 V80L73-V76 PolarHBondContact O-N 3.21Å; L73-V76 VanDerWaalsContact O-N 3.13Å; V76-N78 PolarHBondContact O-N 2.95Å; V76-T79 WeakPolarHBondContact O-CB 3.43Å; V76-T79 PolarHBondContact O-N 2.65Å; V76-T79 VanDerWaalsContact O-N 3.1Å; V76-V80 HydrophobicContact CG1-CG2 4.33Å; V76-V80 WeakPolarHBondContact O-CG2 3.23Å; V76-V80 PolarHBondContact O-N 3.18Å
77V79.4Confident70.9Confident4 Ų467.7 Ų67.72%0.02441%0.409CS..Hα-helixtrans-55.3-50.4176.7173.70000110.9I62 P66 L73 T79 V80 L81 L187I62-V77 HydrophobicContact CG2-CG1 4.07Å; P66-V77 HydrophobicContact CB-CG2 4.37Å; L73-V77 WeakPolarHBondContact O-CG2 3.23Å; L73-V77 PolarHBondContact O-N 3.49Å; V77-T79 VanDerWaalsContact C-N 3.29Å; V77-T79 PolarHBondContact O-N 2.58Å; V77-V80 PolarHBondContact O-N 2.88Å; V77-L81 HydrophobicContact CG1-CD1 3.68Å; V77-L81 HydrophobicContact CG1-CG 4.14Å; V77-L81 WeakPolarHBondContact O-CB 3.37Å; V77-L81 VanDerWaalsContact O-CG 3.27Å; V77-L81 WeakPolarHBondContact O-CG 3.36Å; V77-L81 PolarHBondContact O-N 3.07Å; V77-L187 HydrophobicContact CG2-CD1 4.38Å; V77-L187 HydrophobicContact CG2-CD2 3.76Å
78N79.9Confident73Confident92 Ų9271.1 Ų71.149%0.49242%0.417SS..Hα-helixtrans-64.3-32.6179.1-80.4-31.9000113.2G74 V76 K82G74-N78 WeakPolarHBondContact O-CB 3.48Å; G74-N78 PolarHBondContact O-N 3.34Å; G74-N78 VanDerWaalsContact O-N 3.15Å; G74-N78 PolarHBondContact O-ND2 3.18Å; V76-N78 PolarHBondContact O-N 2.95Å; N78-K82 WeakPolarHBondContact O-CB 3.37Å; N78-K82 PolarHBondContact O-N 3.49Å; N78-K82 VanDerWaalsContact O-N 3.14Å
79T82.5Confident75.1Confident86 Ų8667.7 Ų67.753%0.52838%0.38SS..Hα-helixtrans-69.6-43.4177.2-59.20000111.5S75 V76 V77 Y83S75-T79 WeakPolarHBondContact O-CB 3.14Å; S75-T79 PolarHBondContact O-N 2.86Å; S75-T79 VanDerWaalsContact O-N 3.12Å; S75-T79 PolarHBondContact O-OG1 2.89Å; V76-T79 WeakPolarHBondContact O-CB 3.43Å; V76-T79 PolarHBondContact O-N 2.65Å; V76-T79 VanDerWaalsContact O-N 3.1Å; V77-T79 VanDerWaalsContact C-N 3.29Å; V77-T79 PolarHBondContact O-N 2.58Å; T79-Y83 WeakPolarHBondContact O-CD2 3.35Å
80V82.6Confident77.3Confident11 Ų1166.7 Ų66.77%0.06736%0.36CS..Hα-helixtrans-66.7-49.9177.31740000110.3V76 V77 K82 Y83 L180 E183 V184 L187V76-V80 HydrophobicContact CG1-CG2 4.33Å; V76-V80 WeakPolarHBondContact O-CG2 3.23Å; V76-V80 PolarHBondContact O-N 3.18Å; V77-V80 PolarHBondContact O-N 2.88Å; V80-K82 PolarHBondContact O-N 2.86Å; V80-Y83 PolarHBondContact O-N 2.8Å; V80-L180 HydrophobicContact CG1-CD1 4.02Å; V80-E183 HydrophobicContact CG1-CB 3.97Å; V80-E183 HydrophobicContact CG2-CB 3.74Å; V80-E183 HydrophobicContact CG2-CG 4.24Å; V80-V184 HydrophobicContact CG1-CG2 3.86Å; V80-L187 HydrophobicContact CB-CD1 4.22Å; V80-L187 HydrophobicContact CG1-CD1 3.98Å
81L84.6Confident79.6Confident18 Ų1865.6 Ų65.69%0.09436%0.358CS..Hα-helixtrans-67.4-20.4-177.2-66.3-174.6000113.6L59 I62 R63 V77 Y83 V84L59-L81 HydrophobicContact CD1-CD1 4.2Å; L59-L81 HydrophobicContact CD1-CD2 3.65Å; L59-L81 HydrophobicContact CD1-CG 4.45Å; I62-L81 HydrophobicContact CG2-CD1 4.27Å; I62-L81 HydrophobicContact CG2-CD2 4.44Å; R63-L81 HydrophobicContact CB-CD1 4.33Å; R63-L81 HydrophobicContact CG-CD1 4.49Å; V77-L81 HydrophobicContact CG1-CD1 3.68Å; V77-L81 HydrophobicContact CG1-CG 4.14Å; V77-L81 WeakPolarHBondContact O-CB 3.37Å; V77-L81 VanDerWaalsContact O-CG 3.27Å; V77-L81 WeakPolarHBondContact O-CG 3.36Å; V77-L81 PolarHBondContact O-N 3.07Å; L81-Y83 PolarHBondContact O-N 3.11Å; L81-Y83 VanDerWaalsContact O-N 3.17Å; L81-V84 HydrophobicContact CD2-CB 4.43Å; L81-V84 HydrophobicContact CD2-CG2 4.48Å; L81-V84 PolarHBondContact O-N 2.78Å; L81-V84 VanDerWaalsContact O-O 3.14Å
82K87.2Confident81.9Confident165 Ų16560.4 Ų60.472%0.71733%0.325SS*.THydrogen-bonded Turntrans-56.8-29.7172.8-175.8179.2177.6-176.60112.7N78 V80N78-K82 WeakPolarHBondContact O-CB 3.37Å; N78-K82 PolarHBondContact O-N 3.49Å; N78-K82 VanDerWaalsContact O-N 3.14Å; V80-K82 PolarHBondContact O-N 2.86Å
83Y88.6Confident84.2Confident104 Ų10457 Ų5741%0.40831%0.307SS..THydrogen-bonded Turntrans-95.95.4179.7-59.1-74.9000113.2T79 V80 L81 T122 P123T79-Y83 WeakPolarHBondContact O-CD2 3.35Å; V80-Y83 PolarHBondContact O-N 2.8Å; L81-Y83 PolarHBondContact O-N 3.11Å; L81-Y83 VanDerWaalsContact O-N 3.17Å; Y83-T122 WeakPolarHBondContact O-CA 3.23Å; Y83-T122 WeakPolarHBondContact O-CB 3.4Å; Y83-T122 PolarHBondContact O-OG1 2.98Å; Y83-P123 WeakPolarHBondContact O-CD 3.47Å
84V89.1Confident86Confident14 Ų1455.8 Ų55.89%0.08530%0.3CS..  trans-112.8113.7-179.3178.20000109.1L59 L81 L87 F120 V184L59-V84 HydrophobicContact CD1-CG1 4.39Å; L81-V84 HydrophobicContact CD2-CB 4.43Å; L81-V84 HydrophobicContact CD2-CG2 4.48Å; L81-V84 PolarHBondContact O-N 2.78Å; L81-V84 VanDerWaalsContact O-O 3.14Å; V84-L87 HydrophobicContact CG1-CB 4.12Å; V84-F120 HydrophobicContact CG1-CB 4.04Å; V84-F120 HydrophobicContact CG1-CD2 4.25Å; V84-F120 HydrophobicContact CG1-CG 4.49Å; V84-F120 HydrophobicContact CG2-CD2 3.95Å; V84-F120 HydrophobicContact CG2-CE2 4.29Å; V84-V184 HydrophobicContact CG2-CG2 3.95Å
85I87.4Confident87.6Confident104 Ų10458.7 Ų58.753%0.53331%0.309SS..SBendtrans-78.4-42.8-179.7-63.7166.1000110.5N121 P123I85-N121 HydrophobicContact CB-CB 4.33Å; I85-N121 WeakPolarHBondContact CD1-ND2 3.5Å; I85-N121 PolarHBondContact N-O 3.41Å; I85-P123 HydrophobicContact CD1-CG 4.2Å
86W91.1Very high88.9Confident66 Ų6662.1 Ų62.125%0.2532%0.316CS..EExtended strand (participates in β ladder)trans-151.7152.9172.961.6-102000109.4K88 T90 G119 F120 N121 I128W86-K88 HydrophobicContact CE3-CB 4.3Å; W86-K88 HydrophobicContact CE3-CD 3.91Å; W86-K88 HydrophobicContact CE3-CG 3.6Å; W86-K88 HydrophobicContact CH2-CG 4.46Å; W86-K88 HydrophobicContact CZ3-CB 4.48Å; W86-K88 HydrophobicContact CZ3-CD 3.96Å; W86-K88 HydrophobicContact CZ3-CG 3.47Å; W86-K88 VanDerWaalsContact CZ3-CG 3.47Å; W86-T90 HydrophobicContact CH2-CG2 4.5Å; W86-G119 VanDerWaalsContact CZ3-C 3.42Å; W86-G119 WeakPolarHBondContact CZ3-O 3.47Å; W86-F120 WeakPolarHBondContact O-CA 3.5Å; W86-F120 WeakPolarHBondContact O-CB 3.48Å; W86-N121 HydrophobicContact CD2-CB 4.17Å; W86-N121 HydrophobicContact CG-CB 4.19Å; W86-N121 HydrophobicContact CZ2-CB 4.09Å; W86-N121 PolarHBondContact O-N 2.94Å; W86-N121 VanDerWaalsContact O-N 3.14Å; W86-I128 HydrophobicContact CH2-CD1 3.94Å; W86-I128 HydrophobicContact CH2-CG1 4.23Å; W86-I128 HydrophobicContact CH2-CG2 3.78Å; W86-I128 HydrophobicContact CZ2-CD1 3.77Å; W86-I128 HydrophobicContact CZ2-CG1 3.93Å; W86-I128 HydrophobicContact CZ2-CG2 4.25Å
87L92.9Very high90Very high10 Ų1059.2 Ų59.25%0.05230%0.299CS..EExtended strand (participates in β ladder)trans-138.5119173.7170.966.6000107.8L58 L59 I62 V84 G119 F120 V184 L188L58-L87 HydrophobicContact CB-CD2 3.96Å; L58-L87 HydrophobicContact CB-CG 3.87Å; L58-L87 HydrophobicContact CD1-CD1 4.28Å; L58-L87 HydrophobicContact CD1-CG 4.13Å; L59-L87 HydrophobicContact CB-CB 4.29Å; L59-L87 HydrophobicContact CD1-CB 4.26Å; I62-L87 HydrophobicContact CD1-CD2 3.62Å; V84-L87 HydrophobicContact CG1-CB 4.12Å; L87-G119 WeakPolarHBondContact CA-O 3.44Å; L87-F120 HydrophobicContact CB-CB 4.24Å; L87-F120 HydrophobicContact CD1-CB 3.93Å; L87-V184 HydrophobicContact CD1-CG1 4.36Å; L87-V184 HydrophobicContact CD2-CG1 4.27Å; L87-L188 HydrophobicContact CD1-CD1 4.48Å; L87-L188 HydrophobicContact CD2-CD2 4.2Å
88K93.6Very high90.7Very high111 Ų11162.3 Ų62.348%0.48331%0.313SS..EExtended strand (participates in β ladder)trans-152.6161.1-179.173.3-169174170.90111.4W86 A118 G119W86-K88 HydrophobicContact CE3-CB 4.3Å; W86-K88 HydrophobicContact CE3-CD 3.91Å; W86-K88 HydrophobicContact CE3-CG 3.6Å; W86-K88 HydrophobicContact CH2-CG 4.46Å; W86-K88 HydrophobicContact CZ3-CB 4.48Å; W86-K88 HydrophobicContact CZ3-CD 3.96Å; W86-K88 HydrophobicContact CZ3-CG 3.47Å; W86-K88 VanDerWaalsContact CZ3-CG 3.47Å; K88-A118 CarbonylContact O-C 3.52Å; K88-A118 WeakPolarHBondContact O-CA 3.26Å; K88-G119 PolarHBondContact N-O 2.8Å; K88-G119 VanDerWaalsContact N-O 3.09Å; K88-G119 PolarHBondContact O-N 2.77Å
89V95.3Very high91.4Very high7 Ų758.3 Ų58.34%0.04229%0.292CS..EExtended strand (participates in β ladder)trans-74.6126.4169.4-178.50000108.8L53 L56 L58 T91 A92 M116 V117 A118 M133L53-V89 WeakPolarHBondContact O-CB 3.48Å; L53-V89 WeakPolarHBondContact O-CG1 3.42Å; L53-V89 WeakPolarHBondContact O-CG2 3.3Å; L56-V89 HydrophobicContact CB-CG2 4.01Å; L56-V89 HydrophobicContact CD1-CG2 4.31Å; L58-V89 HydrophobicContact CD1-CG2 3.83Å; L58-V89 HydrophobicContact CG-CG2 4.29Å; V89-T91 WeakPolarHBondContact CG1-O 3.43Å; V89-A92 HydrophobicContact CG1-CB 4.17Å; V89-M116 HydrophobicContact CG1-CB 4.26Å; V89-M116 HydrophobicContact CG1-CG 4.45Å; V89-V117 CarbonylContact C-O 3.55Å; V89-V117 WeakPolarHBondContact CA-O 3.46Å; V89-V117 WeakPolarHBondContact CG1-O 3.48Å; V89-A118 HydrophobicContact CG2-CB 4.5Å; V89-M133 HydrophobicContact CG2-CE 4.14Å
90T92.6Very high91.8Very high50 Ų5058.6 Ų58.631%0.30729%0.286SS..EExtended strand (participates in β ladder)trans-94-37.9178.552.70000111.2W86 V117W86-T90 HydrophobicContact CH2-CG2 4.5Å; T90-V117 PolarHBondContact N-O 3.11Å; T90-V117 PolarHBondContact OG1-O 3.48Å; T90-V117 VanDerWaalsContact OG1-O 3.06Å
91T95.3Very high92.2Very high71 Ų7160.8 Ų60.844%0.43630%0.3SS..EExtended strand (participates in β ladder)trans-137146.917464.20000110V89 M116 V117V89-T91 WeakPolarHBondContact CG1-O 3.43Å; T91-M116 CarbonylContact O-C 3.57Å; T91-M116 WeakPolarHBondContact O-CA 3.14Å; T91-V117 PolarHBondContact N-O 3.17Å; T91-V117 PolarHBondContact O-N 3.15Å; T91-V117 VanDerWaalsContact OG1-CB 3.27Å; T91-V117 WeakPolarHBondContact OG1-CB 3.37Å; T91-V117 WeakPolarHBondContact OG1-CG2 3.26Å
92A96Very high92.1Very high12 Ų1261.5 Ų61.510%0.09931%0.306CS..EExtended strand (participates in β ladder)trans-142.4146.417300000108.5T50 L53 Q54 V89 D115 M116T50-A92 HydrophobicContact CG2-CB 4.21Å; T50-A92 WeakPolarHBondContact CG2-O 3.49Å; L53-A92 HydrophobicContact CB-CB 3.57Å; Q54-A92 HydrophobicContact CG-CB 3.79Å; V89-A92 HydrophobicContact CG1-CB 4.17Å; A92-D115 CarbonylContact C-O 3.52Å; A92-D115 WeakPolarHBondContact CA-O 3.47Å; A92-M116 HydrophobicContact CB-CG 3.97Å
93S94.9Very high91.5Very high42 Ų4259 Ų5929%0.29432%0.317SS..EExtended strand (participates in β ladder)trans-146.3149.617275.40000110.4D115S93-D115 PolarHBondContact N-O 3.04Å; S93-D115 PolarHBondContact O-N 2.9Å; S93-D115 PolarHBondContact OG-OD2 2.91Å
94I95.1Very high90.8Very high36 Ų3657.8 Ų57.819%0.18532%0.317CS..EExtended strand (participates in β ladder)trans-102118.8171.4-61.6172.6000105.7L44 A49 L53 L97 I112 L114L44-I94 HydrophobicContact CB-CD1 4.41Å; A49-I94 HydrophobicContact CB-CD1 3.54Å; L53-I94 HydrophobicContact CD1-CD1 4.49Å; L53-I94 HydrophobicContact CD1-CG1 4.05Å; I94-L97 HydrophobicContact CG2-CD1 3.82Å; I94-I112 HydrophobicContact CG2-CG2 3.65Å; I94-L114 HydrophobicContact CG1-CD2 3.96Å; I94-L114 HydrophobicContact CG2-CD2 4.49Å
95L94.4Very high90Very high87 Ų8761.6 Ų61.646%0.45534%0.337SS..  trans-77.7-179.5178.3-54.5-177.8000110.2L97 P113 D115L95-L97 WeakPolarHBondContact O-CD1 3.37Å; L95-L97 PolarHBondContact O-N 2.86Å; L95-P113 HydrophobicContact CB-CB 4.09Å; L95-P113 HydrophobicContact CB-CG 4.5Å; L95-P113 HydrophobicContact CD1-CB 4.24Å; L95-P113 PolarHBondContact N-O 2.96Å; L95-D115 HydrophobicContact CD1-CB 4.19Å; L95-D115 HydrophobicContact CD2-CB 4Å; L95-D115 HydrophobicContact CG-CB 4.06Å
96Q93Very high89.8Confident152 Ų15263.8 Ų63.871%0.7134%0.343SS*.  trans-62.7123.4-178.3-168.2176.520.400111.8
97L95.1Very high89.8Confident2 Ų263 Ų631%0.0134%0.342CS..  trans-63148.1178.1-81.964.5000111.7K37 L40 L44 I94 L95 V110 K111 I112K37-L97 HydrophobicContact CB-CB 4.38Å; K37-L97 WeakPolarHBondContact CD-O 3.25Å; K37-L97 VanDerWaalsContact CE-O 3.26Å; K37-L97 WeakPolarHBondContact CE-O 3.35Å; K37-L97 HydrophobicContact CG-CB 4.11Å; K37-L97 WeakPolarHBondContact CG-O 3.38Å; L40-L97 HydrophobicContact CB-CD2 4.14Å; L40-L97 HydrophobicContact CD2-CD2 3.77Å; L40-L97 HydrophobicContact CG-CD2 3.89Å; L44-L97 HydrophobicContact CD1-CD1 4.37Å; L44-L97 HydrophobicContact CD1-CD2 4.02Å; I94-L97 HydrophobicContact CG2-CD1 3.82Å; L95-L97 WeakPolarHBondContact O-CD1 3.37Å; L95-L97 PolarHBondContact O-N 2.86Å; L97-V110 HydrophobicContact CD2-CG1 4.19Å; L97-K111 WeakPolarHBondContact CA-O 3.38Å; L97-I112 HydrophobicContact CD1-CG2 4.28Å; L97-I112 HydrophobicContact CD2-CG1 4.26Å; L97-I112 HydrophobicContact CG-CG1 4.11Å; L97-I112 HydrophobicContact CG-CG2 4.45Å
98Q93.9Very high89.8Confident68 Ų6862.6 Ų62.632%0.31834%0.34SS..EExtended strand (participates in β ladder)trans-114.8135.4170-46175.430.300109.2V110 K111Q98-V110 CarbonylContact O-C 3.56Å; Q98-V110 WeakPolarHBondContact O-CA 3.29Å; Q98-K111 HydrophobicContact CB-CB 4.11Å; Q98-K111 PolarHBondContact N-O 3.03Å; Q98-K111 PolarHBondContact O-N 3.32Å
99V93.6Very high89.8Confident8 Ų859.1 Ų59.15%0.04833%0.326CS..EExtended strand (participates in β ladder)trans-120.8124.5175176.20000105.5P33 I36 K37 L108 V110P33-V99 HydrophobicContact CB-CB 4.22Å; I36-V99 HydrophobicContact CB-CG2 4.36Å; I36-V99 HydrophobicContact CD1-CG1 4.42Å; I36-V99 HydrophobicContact CG2-CG2 3.93Å; K37-V99 HydrophobicContact CG-CB 4.45Å; K37-V99 HydrophobicContact CG-CG2 3.66Å; V99-L108 HydrophobicContact CG1-CD2 4.29Å; V99-V110 HydrophobicContact CG2-CG1 4.49Å; V99-V110 HydrophobicContact CG2-CG2 4.37Å
100K91.7Very high89.8Confident93 Ų9359 Ų5940%0.40433%0.325SS..EExtended strand (participates in β ladder)trans-134.9152-177.1-65.7-173-176.4179.60109.5L109K100-L109 PolarHBondContact N-O 3.5Å; K100-L109 PolarHBondContact O-N 2.81Å
101P90.2Very high89.8Confident57 Ų5758.5 Ų58.537%0.3732%0.319SS..EExtended strand (participates in β ladder)trans-66.9145.9168.326.2-23.8000109.9D105P101-D105 WeakPolarHBondContact CB-OD1 3.31Å
102S82.5Confident89.9Confident32 Ų3255.1 Ų55.122%0.22430%0.298CS..  trans-72.6165.3162.7-176.60000110.4N104 D105 E107S102-N104 PolarHBondContact O-N 2.79Å; S102-D105 PolarHBondContact O-N 3.17Å; S102-E107 WeakPolarHBondContact CB-O 3.37Å; S102-E107 PolarHBondContact N-O 2.71Å; S102-E107 PolarHBondContact OG-OE2 2.7Å
103A74.7Confident89.8Confident113 Ų11355.6 Ų55.693%0.93430%0.3SS*.THydrogen-bonded Turntrans-59.3-14.7-175.200000114.8
104N73.8Confident89.9Confident79 Ų7953.7 Ų53.742%0.42229%0.287SS..THydrogen-bonded Turntrans-105.53.6179.26411000114S102 K106S102-N104 PolarHBondContact O-N 2.79Å; N104-K106 WeakPolarHBondContact O-CG 3.35Å; N104-K106 PolarHBondContact O-N 2.81Å; N104-K106 PolarHBondContact OD1-N 2.74Å
105D73.7Confident89.9Confident93 Ų9353.9 Ų53.950%0.49729%0.288SS..SBendtrans54.315.4-175.9-69.3-40.1000115.7P101 S102 G241P101-D105 WeakPolarHBondContact CB-OD1 3.31Å; S102-D105 PolarHBondContact O-N 3.17Å; D105-G241 PolarHBondContact O-N 3.14Å
106K81.8Confident89.9Confident150 Ų15049.7 Ų49.765%0.65227%0.266SS*.SBendtrans-112.9-3-178.1-71.1178.5-178-176.90113.5N104N104-K106 WeakPolarHBondContact O-CG 3.35Å; N104-K106 PolarHBondContact O-N 2.81Å; N104-K106 PolarHBondContact OD1-N 2.74Å
107E91.1Very high90Very high49 Ų4943.5 Ų43.523%0.22924%0.239CC..EExtended strand (participates in β ladder)trans-134.7151.9179.7-51167.6160.900108.9S102 I140 V141 R142S102-E107 WeakPolarHBondContact CB-O 3.37Å; S102-E107 PolarHBondContact N-O 2.71Å; S102-E107 PolarHBondContact OG-OE2 2.7Å; E107-I140 HydrophobicContact CB-CG2 4.13Å; E107-V141 CarbonylContact C-O 3.46Å; E107-V141 VanDerWaalsContact CA-O 3.24Å; E107-V141 WeakPolarHBondContact CA-O 3.32Å; E107-V141 WeakPolarHBondContact CB-O 3.36Å; E107-R142 HydrophobicContact CG-CB 3.94Å
108L92.8Very high90Very high2 Ų243.4 Ų43.41%0.0124%0.238CC..EExtended strand (participates in β ladder)trans-106.6126.5174.1-61.2168.6000109.1I36 V99 I140 V141 I239 G241 I244I36-L108 HydrophobicContact CD1-CD1 4.38Å; V99-L108 HydrophobicContact CG1-CD2 4.29Å; L108-I140 WeakPolarHBondContact O-CA 3.36Å; L108-V141 HydrophobicContact CB-CB 4.22Å; L108-V141 PolarHBondContact N-O 3.24Å; L108-V141 PolarHBondContact O-N 2.98Å; L108-I239 HydrophobicContact CD1-CD1 4.32Å; L108-I239 HydrophobicContact CD1-CG1 4.22Å; L108-I239 HydrophobicContact CD1-CG2 4.4Å; L108-I239 HydrophobicContact CD2-CG2 3.88Å; L108-I239 HydrophobicContact CG-CD1 4.11Å; L108-I239 HydrophobicContact CG-CG1 4.26Å; L108-I239 HydrophobicContact CG-CG2 3.75Å; L108-G241 VanDerWaalsContact CD2-O 3.28Å; L108-G241 WeakPolarHBondContact CD2-O 3.21Å; L108-I244 HydrophobicContact CD1-CD1 3.9Å; L108-I244 HydrophobicContact CD1-CG1 3.46Å; L108-I244 VanDerWaalsContact CD1-CG1 3.46Å
109L93.7Very high90Very high39 Ų3940.2 Ų40.220%0.20422%0.223CC..EExtended strand (participates in β ladder)trans-92.8114.3168.6179.264.1000108.8K100 K111 Q138 I140K100-L109 PolarHBondContact N-O 3.5Å; K100-L109 PolarHBondContact O-N 2.81Å; L109-K111 HydrophobicContact CD2-CG 4.47Å; L109-K111 HydrophobicContact CG-CG 4.34Å; L109-Q138 HydrophobicContact CD1-CB 4.17Å; L109-I140 HydrophobicContact CD1-CG1 4.17Å
110V94.9Very high90.1Very high4 Ų439.8 Ų39.82%0.02422%0.221CC..EExtended strand (participates in β ladder)trans-99.6116.4173.1-173.40000108.6L40 L97 Q98 V99 I112 Q138 A139 V141L40-V110 HydrophobicContact CD2-CG1 3.76Å; L97-V110 HydrophobicContact CD2-CG1 4.19Å; Q98-V110 CarbonylContact O-C 3.56Å; Q98-V110 WeakPolarHBondContact O-CA 3.29Å; V99-V110 HydrophobicContact CG2-CG1 4.49Å; V99-V110 HydrophobicContact CG2-CG2 4.37Å; V110-I112 HydrophobicContact CG1-CG1 4.06Å; V110-Q138 CarbonylContact O-C 3.56Å; V110-Q138 WeakPolarHBondContact O-CA 3.37Å; V110-A139 HydrophobicContact CB-CB 4.4Å; V110-A139 PolarHBondContact N-O 2.87Å; V110-A139 PolarHBondContact O-N 3.06Å; V110-V141 HydrophobicContact CG2-CG2 4.35Å
111K94.6Very high90.2Very high40 Ų4037.4 Ų37.417%0.17421%0.213CC..EExtended strand (participates in β ladder)trans-99.1131172.3-64.4168.2160.8-95.20109.3L97 Q98 L109 E136 Q138L97-K111 WeakPolarHBondContact CA-O 3.38Å; Q98-K111 HydrophobicContact CB-CB 4.11Å; Q98-K111 PolarHBondContact N-O 3.03Å; Q98-K111 PolarHBondContact O-N 3.32Å; L109-K111 HydrophobicContact CD2-CG 4.47Å; L109-K111 HydrophobicContact CG-CG 4.34Å; K111-E136 HydrophobicContact CB-CG 4.15Å; K111-E136 IonicContact NZ-OE1 2.74Å; K111-E136 PolarHBondContact NZ-OE1 2.74Å; K111-E136 IonicContact NZ-OE2 3.48Å; K111-E136 PolarHBondContact NZ-OE2 2.97Å; K111-Q138 HydrophobicContact CG-CG 4.3Å
112I95.8Very high90.2Very high0 Ų034.8 Ų34.80%020%0.196CC..EExtended strand (participates in β ladder)trans-122.790.1-176.5-51.7172.4000106.4L44 I94 L97 V110 L114 A137 I204L44-I112 HydrophobicContact CD1-CD1 4.37Å; L44-I112 HydrophobicContact CD1-CG2 4.46Å; I94-I112 HydrophobicContact CG2-CG2 3.65Å; L97-I112 HydrophobicContact CD1-CG2 4.28Å; L97-I112 HydrophobicContact CD2-CG1 4.26Å; L97-I112 HydrophobicContact CG-CG1 4.11Å; L97-I112 HydrophobicContact CG-CG2 4.45Å; V110-I112 HydrophobicContact CG1-CG1 4.06Å; I112-L114 HydrophobicContact CG2-CD2 3.88Å; I112-A137 HydrophobicContact CB-CB 4.28Å; I112-A137 PolarHBondContact N-O 3.22Å; I112-A137 PolarHBondContact O-N 2.92Å; I112-I204 HydrophobicContact CD1-CB 4.5Å; I112-I204 HydrophobicContact CD1-CD1 3.6Å; I112-I204 HydrophobicContact CD1-CG1 3.68Å; I112-I204 HydrophobicContact CD1-CG2 3.91Å
113P95.4Very high90.5Very high21 Ų2138 Ų3814%0.13622%0.215CC..EExtended strand (participates in β ladder)trans-72.8133.3179.3-824.3000109.9L95L95-P113 HydrophobicContact CB-CB 4.09Å; L95-P113 HydrophobicContact CB-CG 4.5Å; L95-P113 HydrophobicContact CD1-CB 4.24Å; L95-P113 PolarHBondContact N-O 2.96Å
114L95.3Very high91.2Very high3 Ų336.2 Ų36.22%0.01619%0.19CC..EExtended strand (participates in β ladder)trans-116.5136.8-175.1-50.8-178.9000109.4L53 I94 I112 T135 A137 V196 L200L53-L114 HydrophobicContact CD1-CD1 4.42Å; L53-L114 HydrophobicContact CD1-CD2 3.99Å; L53-L114 HydrophobicContact CD2-CD1 4.12Å; I94-L114 HydrophobicContact CG1-CD2 3.96Å; I94-L114 HydrophobicContact CG2-CD2 4.49Å; I112-L114 HydrophobicContact CG2-CD2 3.88Å; L114-T135 WeakPolarHBondContact CA-O 3.46Å; L114-T135 HydrophobicContact CB-CG2 3.94Å; L114-T135 WeakPolarHBondContact CB-O 3.38Å; L114-T135 HydrophobicContact CD1-CG2 3.95Å; L114-T135 HydrophobicContact CG-CG2 4.36Å; L114-T135 PolarHBondContact N-O 3.37Å; L114-T135 PolarHBondContact O-N 3.44Å; L114-T135 VanDerWaalsContact O-N 3.12Å; L114-A137 HydrophobicContact CD1-CB 4.44Å; L114-V196 HydrophobicContact CD1-CG1 3.53Å; L114-L200 HydrophobicContact CD1-CD2 3.57Å; L114-L200 HydrophobicContact CD2-CD2 3.94Å; L114-L200 HydrophobicContact CG-CD2 4.37Å
115D95.1Very high92Very high39 Ų3934.2 Ų34.221%0.20918%0.181CC..EExtended strand (participates in β ladder)trans-127.3121.1178.5175.159.2000109.2A92 S93 L95 H132A92-D115 CarbonylContact C-O 3.52Å; A92-D115 WeakPolarHBondContact CA-O 3.47Å; S93-D115 PolarHBondContact N-O 3.04Å; S93-D115 PolarHBondContact O-N 2.9Å; S93-D115 PolarHBondContact OG-OD2 2.91Å; L95-D115 HydrophobicContact CD1-CB 4.19Å; L95-D115 HydrophobicContact CD2-CB 4Å; L95-D115 HydrophobicContact CG-CB 4.06Å; D115-H132 IonicContact OD1-CD2 2.7Å; D115-H132 PolarHBondContact OD1-CD2 2.95Å; D115-H132 IonicContact OD1-CE1 3.77Å; D115-H132 IonicContact OD1-NE2 3.9Å; D115-H132 PolarHBondContact OD1-NE2 2.86Å
116M95.3Very high92.6Very high0 Ų040.1 Ų40.10%020%0.202CC..EExtended strand (participates in β ladder)trans-136.6147.3-173.4-64.4174.9-73.500111L53 L56 V89 T91 A92 M133 T135 L192 V196L53-M116 HydrophobicContact CB-SD 4.41Å; L53-M116 HydrophobicContact CD2-SD 4.13Å; L56-M116 HydrophobicContact CD1-SD 3.8Å; V89-M116 HydrophobicContact CG1-CB 4.26Å; V89-M116 HydrophobicContact CG1-CG 4.45Å; T91-M116 CarbonylContact O-C 3.57Å; T91-M116 WeakPolarHBondContact O-CA 3.14Å; A92-M116 HydrophobicContact CB-CG 3.97Å; M116-M133 HydrophobicContact CB-CB 4.24Å; M116-M133 HydrophobicContact CB-CE 3.86Å; M116-M133 HydrophobicContact CE-CE 4.38Å; M116-M133 PolarHBondContact N-O 3.32Å; M116-M133 PolarHBondContact O-N 3.38Å; M116-M133 HydrophobicContact SD-CE 4.43Å; M116-T135 HydrophobicContact CE-CG2 3.78Å; M116-L192 HydrophobicContact CE-CD1 4.4Å; M116-L192 HydrophobicContact CE-CD2 4.24Å; M116-V196 HydrophobicContact CE-CG2 4.28Å
117V95.8Very high93Very high22 Ų2236.6 Ų36.613%0.13319%0.193CC..EExtended strand (participates in β ladder)trans-114.9125164.6-1770000107.9V89 T90 T91 E130 F131 L170V89-V117 CarbonylContact C-O 3.55Å; V89-V117 WeakPolarHBondContact CA-O 3.46Å; V89-V117 WeakPolarHBondContact CG1-O 3.48Å; T90-V117 PolarHBondContact N-O 3.11Å; T90-V117 PolarHBondContact OG1-O 3.48Å; T90-V117 VanDerWaalsContact OG1-O 3.06Å; T91-V117 PolarHBondContact N-O 3.17Å; T91-V117 PolarHBondContact O-N 3.15Å; T91-V117 VanDerWaalsContact OG1-CB 3.27Å; T91-V117 WeakPolarHBondContact OG1-CB 3.37Å; T91-V117 WeakPolarHBondContact OG1-CG2 3.26Å; V117-E130 HydrophobicContact CG1-CB 4.18Å; V117-F131 CarbonylContact C-O 3.53Å; V117-F131 VanDerWaalsContact CA-O 3.28Å; V117-F131 WeakPolarHBondContact CA-O 3.48Å; V117-L170 HydrophobicContact CG1-CD1 3.83Å; V117-L170 HydrophobicContact CG2-CD1 4.49Å
118A94.9Very high93.1Very high0 Ų037.5 Ų37.50%020%0.199CC..EExtended strand (participates in β ladder)trans-110.4141.1171.500000110.5L58 K88 V89 E130 F131 M133L58-A118 HydrophobicContact CD1-CB 3.79Å; K88-A118 CarbonylContact O-C 3.52Å; K88-A118 WeakPolarHBondContact O-CA 3.26Å; V89-A118 HydrophobicContact CG2-CB 4.5Å; A118-E130 CarbonylContact O-C 3.56Å; A118-E130 WeakPolarHBondContact O-CA 3.34Å; A118-F131 PolarHBondContact N-O 3.37Å; A118-F131 PolarHBondContact O-N 3.29Å; A118-M133 HydrophobicContact CB-CE 3.44Å; A118-M133 VanDerWaalsContact CB-CE 3.44Å; A118-M133 HydrophobicContact CB-SD 3.89Å
119G94Very high93.1Very high0 Ų037.4 Ų37.40%020%0.198CC..EExtended strand (participates in β ladder)trans-118.2153.5176.100000111.1W86 L87 K88 V129W86-G119 VanDerWaalsContact CZ3-C 3.42Å; W86-G119 WeakPolarHBondContact CZ3-O 3.47Å; L87-G119 WeakPolarHBondContact CA-O 3.44Å; K88-G119 PolarHBondContact N-O 2.8Å; K88-G119 VanDerWaalsContact N-O 3.09Å; K88-G119 PolarHBondContact O-N 2.77Å; G119-V129 CarbonylContact C-O 3.6Å; G119-V129 WeakPolarHBondContact CA-O 3.29Å
120F94.3Very high93.2Very high0 Ų038.2 Ų38.20%020%0.201CC..EExtended strand (participates in β ladder)trans-132.9150.4160.577.3-85.2000112.2V84 W86 L87 T122 V129 F131 L180 A181 V184V84-F120 HydrophobicContact CG1-CB 4.04Å; V84-F120 HydrophobicContact CG1-CD2 4.25Å; V84-F120 HydrophobicContact CG1-CG 4.49Å; V84-F120 HydrophobicContact CG2-CD2 3.95Å; V84-F120 HydrophobicContact CG2-CE2 4.29Å; W86-F120 WeakPolarHBondContact O-CA 3.5Å; W86-F120 WeakPolarHBondContact O-CB 3.48Å; L87-F120 HydrophobicContact CB-CB 4.24Å; L87-F120 HydrophobicContact CD1-CB 3.93Å; F120-T122 HydrophobicContact CD2-CG2 4.48Å; F120-T122 HydrophobicContact CE2-CG2 3.91Å; F120-V129 HydrophobicContact CD1-CB 3.77Å; F120-V129 HydrophobicContact CD1-CG1 4.04Å; F120-V129 HydrophobicContact CE1-CB 3.36Å; F120-V129 HydrophobicContact CE1-CG1 3.25Å; F120-V129 HydrophobicContact CE1-CG2 4.18Å; F120-V129 HydrophobicContact CE2-CB 4.23Å; F120-V129 HydrophobicContact CE2-CG2 4.28Å; F120-V129 HydrophobicContact CG-CB 4.39Å; F120-V129 HydrophobicContact CZ-CB 3.62Å; F120-V129 HydrophobicContact CZ-CG1 3.67Å; F120-V129 HydrophobicContact CZ-CG2 3.91Å; F120-V129 PolarHBondContact N-O 3.33Å; F120-V129 PolarHBondContact O-N 2.86Å; F120-F131 HydrophobicContact CD1-CD2 4.38Å; F120-F131 AromaticContact CD1-CE2 3.37Å; F120-F131 HydrophobicContact CD1-CE2 3.37Å; F120-F131 AromaticContact CD1-CZ 3.73Å; F120-F131 HydrophobicContact CD1-CZ 3.73Å; F120-F131 HydrophobicContact CE1-CE1 4.38Å; F120-F131 AromaticContact CE1-CE2 3.54Å; F120-F131 HydrophobicContact CE1-CE2 3.54Å; F120-F131 AromaticContact CE1-CZ 3.34Å; F120-F131 HydrophobicContact CE1-CZ 3.34Å; F120-L180 HydrophobicContact CE2-CD2 3.79Å; F120-L180 HydrophobicContact CE2-CG 4.14Å; F120-L180 HydrophobicContact CZ-CD2 4.26Å; F120-L180 HydrophobicContact CZ-CG 4.2Å; F120-A181 HydrophobicContact CE1-CB 4.29Å; F120-A181 HydrophobicContact CZ-CB 4.34Å; F120-V184 HydrophobicContact CD1-CG1 4.45Å; F120-V184 HydrophobicContact CE1-CG2 4.45Å; F120-V184 HydrophobicContact CZ-CG2 4.41Å
121N93.5Very high93.2Very high43 Ų4338 Ų3823%0.2320%0.2CC..EExtended strand (participates in β ladder)trans-102.7138.8174.5-174.238000110.5I85 W86I85-N121 HydrophobicContact CB-CB 4.33Å; I85-N121 WeakPolarHBondContact CD1-ND2 3.5Å; I85-N121 PolarHBondContact N-O 3.41Å; W86-N121 HydrophobicContact CD2-CB 4.17Å; W86-N121 HydrophobicContact CG-CB 4.19Å; W86-N121 HydrophobicContact CZ2-CB 4.09Å; W86-N121 PolarHBondContact O-N 2.94Å; W86-N121 VanDerWaalsContact O-N 3.14Å
122T91.1Very high93.2Very high2 Ų238 Ų381%0.01220%0.2CC..  trans-141145.7-177.6-179.70000110.8Y83 F120 L124 V125 V129 L180Y83-T122 WeakPolarHBondContact O-CA 3.23Å; Y83-T122 WeakPolarHBondContact O-CB 3.4Å; Y83-T122 PolarHBondContact O-OG1 2.98Å; F120-T122 HydrophobicContact CD2-CG2 4.48Å; F120-T122 HydrophobicContact CE2-CG2 3.91Å; T122-L124 HydrophobicContact CG2-CB 4.06Å; T122-L124 PolarHBondContact O-N 3.21Å; T122-L124 VanDerWaalsContact O-N 3.08Å; T122-L124 PolarHBondContact OG1-N 3.24Å; T122-V125 HydrophobicContact CG2-CG1 3.66Å; T122-V125 PolarHBondContact O-N 3.36Å; T122-V129 HydrophobicContact CG2-CG2 4.23Å; T122-L180 HydrophobicContact CG2-CD2 4.43Å; T122-L180 WeakPolarHBondContact OG1-CD2 3.48Å
123P89.4Confident93.1Very high98 Ų9838 Ų3864%0.63620%0.2SC*.THydrogen-bonded Turntrans-61.3-14.8173.2-20.732.1000114.2Y83 I85 V125Y83-P123 WeakPolarHBondContact O-CD 3.47Å; I85-P123 HydrophobicContact CD1-CG 4.2Å; P123-V125 VanDerWaalsContact C-N 3.33Å; P123-V125 PolarHBondContact O-N 3.44Å
124L88.1Confident93.1Very high77 Ų7740 Ų4040%0.40321%0.208SC..THydrogen-bonded Turntrans-75.6-17.9-175-58.4-179.5000113.8T122 V177 L180T122-L124 HydrophobicContact CG2-CB 4.06Å; T122-L124 PolarHBondContact O-N 3.21Å; T122-L124 VanDerWaalsContact O-N 3.08Å; T122-L124 PolarHBondContact OG1-N 3.24Å; L124-V177 HydrophobicContact CB-CG2 3.79Å; L124-L180 HydrophobicContact CD1-CB 4.42Å; L124-L180 HydrophobicContact CD1-CD2 3.72Å
125V90.7Very high93Very high37 Ų3740.1 Ų40.122%0.22421%0.208CC..  trans-151.1149.8-18061.20000110.4T122 P123 T127 V129 F173 V177T122-V125 HydrophobicContact CG2-CG1 3.66Å; T122-V125 PolarHBondContact O-N 3.36Å; P123-V125 VanDerWaalsContact C-N 3.33Å; P123-V125 PolarHBondContact O-N 3.44Å; V125-T127 VanDerWaalsContact C-N 3.33Å; V125-T127 WeakPolarHBondContact CG1-O 3.35Å; V125-T127 WeakPolarHBondContact CG2-OG1 3.49Å; V125-V129 HydrophobicContact CG1-CG2 3.81Å; V125-F173 HydrophobicContact CG2-CD1 4.34Å; V125-V177 HydrophobicContact CB-CG2 4.09Å; V125-V177 HydrophobicContact CG1-CG1 4.06Å; V125-V177 HydrophobicContact CG1-CG2 4.16Å
126K87.7Confident92.9Very high216 Ų21639.4 Ų39.494%0.93920%0.204SC*.SBendtrans-77.5-18.4179.9-67.7-174.1178.1-178.30113.9
127T89.9Confident92.8Very high76 Ų7639.4 Ų39.447%0.46620%0.204SC..SBendtrans-97.9153.8-178.455.90000110.7V125 F173V125-T127 VanDerWaalsContact C-N 3.33Å; V125-T127 WeakPolarHBondContact CG1-O 3.35Å; V125-T127 WeakPolarHBondContact CG2-OG1 3.49Å; T127-F173 WeakPolarHBondContact OG1-CE1 3.49Å
128I92.3Very high92.8Very high69 Ų6940.8 Ų40.835%0.35421%0.209SC..PPolyproline II helixtrans-67.5137.1173.3-60.2167.9000108.5W86 E130W86-I128 HydrophobicContact CH2-CD1 3.94Å; W86-I128 HydrophobicContact CH2-CG1 4.23Å; W86-I128 HydrophobicContact CH2-CG2 3.78Å; W86-I128 HydrophobicContact CZ2-CD1 3.77Å; W86-I128 HydrophobicContact CZ2-CG1 3.93Å; W86-I128 HydrophobicContact CZ2-CG2 4.25Å; I128-E130 HydrophobicContact CB-CG 4.42Å; I128-E130 HydrophobicContact CG2-CG 3.85Å
129V94.1Very high92.7Very high0 Ų040.9 Ų40.90%021%0.21CC..EExtended strand (participates in β ladder)trans-91.9117.7172.4-178.10000107.4G119 F120 T122 V125 L169 F173 V177 A181G119-V129 CarbonylContact C-O 3.6Å; G119-V129 WeakPolarHBondContact CA-O 3.29Å; F120-V129 HydrophobicContact CD1-CB 3.77Å; F120-V129 HydrophobicContact CD1-CG1 4.04Å; F120-V129 HydrophobicContact CE1-CB 3.36Å; F120-V129 HydrophobicContact CE1-CG1 3.25Å; F120-V129 HydrophobicContact CE1-CG2 4.18Å; F120-V129 HydrophobicContact CE2-CB 4.23Å; F120-V129 HydrophobicContact CE2-CG2 4.28Å; F120-V129 HydrophobicContact CG-CB 4.39Å; F120-V129 HydrophobicContact CZ-CB 3.62Å; F120-V129 HydrophobicContact CZ-CG1 3.67Å; F120-V129 HydrophobicContact CZ-CG2 3.91Å; F120-V129 PolarHBondContact N-O 3.33Å; F120-V129 PolarHBondContact O-N 2.86Å; T122-V129 HydrophobicContact CG2-CG2 4.23Å; V125-V129 HydrophobicContact CG1-CG2 3.81Å; V129-L169 HydrophobicContact CG1-CD1 3.64Å; V129-F173 HydrophobicContact CB-CE2 4.18Å; V129-F173 HydrophobicContact CB-CZ 4.48Å; V129-F173 HydrophobicContact CG1-CD2 4.08Å; V129-F173 HydrophobicContact CG1-CE2 3.74Å; V129-F173 HydrophobicContact CG2-CD2 4.36Å; V129-F173 HydrophobicContact CG2-CE2 4.14Å; V129-F173 HydrophobicContact CG2-CZ 4.26Å; V129-V177 HydrophobicContact CG2-CG1 3.59Å; V129-A181 HydrophobicContact CG1-CB 3.97Å
130E95.5Very high92.7Very high56 Ų5643.1 Ų43.126%0.26222%0.221SC..EExtended strand (participates in β ladder)trans-113.5140.5-170.5-60.8178.6124.400112.6V117 A118 I128 L170V117-E130 HydrophobicContact CG1-CB 4.18Å; A118-E130 CarbonylContact O-C 3.56Å; A118-E130 WeakPolarHBondContact O-CA 3.34Å; I128-E130 HydrophobicContact CB-CG 4.42Å; I128-E130 HydrophobicContact CG2-CG 3.85Å; E130-L170 HydrophobicContact CB-CB 4.37Å; E130-L170 HydrophobicContact CB-CD1 3.83Å; E130-L170 HydrophobicContact CB-CG 4.46Å; E130-L170 PolarHBondContact O-N 2.84Å
131F94.4Very high92.6Very high0 Ų043.3 Ų43.30%022%0.222CC..EExtended strand (participates in β ladder)trans-118.2132.9176.7-51.4-70.3000110V117 A118 F120 M133 V167 Q168 L169 A181 V184 M185 L188V117-F131 CarbonylContact C-O 3.53Å; V117-F131 VanDerWaalsContact CA-O 3.28Å; V117-F131 WeakPolarHBondContact CA-O 3.48Å; A118-F131 PolarHBondContact N-O 3.37Å; A118-F131 PolarHBondContact O-N 3.29Å; F120-F131 HydrophobicContact CD1-CD2 4.38Å; F120-F131 AromaticContact CD1-CE2 3.37Å; F120-F131 HydrophobicContact CD1-CE2 3.37Å; F120-F131 AromaticContact CD1-CZ 3.73Å; F120-F131 HydrophobicContact CD1-CZ 3.73Å; F120-F131 HydrophobicContact CE1-CE1 4.38Å; F120-F131 AromaticContact CE1-CE2 3.54Å; F120-F131 HydrophobicContact CE1-CE2 3.54Å; F120-F131 AromaticContact CE1-CZ 3.34Å; F120-F131 HydrophobicContact CE1-CZ 3.34Å; F131-M133 HydrophobicContact CB-CG 4.44Å; F131-V167 HydrophobicContact CB-CG1 4.18Å; F131-Q168 CarbonylContact C-O 3.57Å; F131-Q168 VanDerWaalsContact CA-O 3.24Å; F131-Q168 WeakPolarHBondContact CA-O 3.21Å; F131-L169 HydrophobicContact CD1-CB 4.43Å; F131-L169 HydrophobicContact CD1-CD1 3.86Å; F131-L169 HydrophobicContact CE1-CD1 3.71Å; F131-A181 HydrophobicContact CE1-CB 3.89Å; F131-A181 HydrophobicContact CZ-CB 4.06Å; F131-V184 HydrophobicContact CE2-CB 4.32Å; F131-V184 HydrophobicContact CE2-CG1 3.71Å; F131-V184 HydrophobicContact CZ-CB 4.06Å; F131-V184 HydrophobicContact CZ-CG1 3.96Å; F131-M185 HydrophobicContact CD1-CG 3.57Å; F131-M185 HydrophobicContact CD1-SD 3.76Å; F131-M185 HydrophobicContact CE1-CG 3.29Å; F131-M185 HydrophobicContact CE1-SD 3.61Å; F131-M185 HydrophobicContact CG-CG 4.38Å; F131-M185 HydrophobicContact CZ-CG 3.9Å; F131-L188 HydrophobicContact CD2-CD1 4.14Å; F131-L188 HydrophobicContact CE2-CD1 4.26Å
132H95.5Very high92.5Very high39 Ų3945.5 Ų45.518%0.18123%0.227CC..EExtended strand (participates in β ladder)trans-85.1130.9164.2-177-144.9000109.3D115 E134 V167 Q168 L170D115-H132 IonicContact OD1-CD2 2.7Å; D115-H132 PolarHBondContact OD1-CD2 2.95Å; D115-H132 IonicContact OD1-CE1 3.77Å; D115-H132 IonicContact OD1-NE2 3.9Å; D115-H132 PolarHBondContact OD1-NE2 2.86Å; H132-E134 IonicContact CE1-OE1 3.2Å; H132-E134 PolarHBondContact CE1-OE1 3.06Å; H132-E134 IonicContact NE2-OE1 3.51Å; H132-V167 CarbonylContact O-C 3.54Å; H132-V167 WeakPolarHBondContact O-CA 3.48Å; H132-Q168 PolarHBondContact N-O 3.39Å; H132-Q168 PolarHBondContact O-N 3.23Å; H132-L170 HydrophobicContact CB-CD2 3.71Å; H132-L170 HydrophobicContact CB-CG 4.11Å
133M93.9Very high92.4Very high0 Ų047.7 Ų47.70%024%0.238CC..EExtended strand (participates in β ladder)trans-128.9114.1-176.8-58.8-174.4-52.800109.5V89 M116 A118 F131 R166 V167 L188 L192V89-M133 HydrophobicContact CG2-CE 4.14Å; M116-M133 HydrophobicContact CB-CB 4.24Å; M116-M133 HydrophobicContact CB-CE 3.86Å; M116-M133 HydrophobicContact CE-CE 4.38Å; M116-M133 PolarHBondContact N-O 3.32Å; M116-M133 PolarHBondContact O-N 3.38Å; M116-M133 HydrophobicContact SD-CE 4.43Å; A118-M133 HydrophobicContact CB-CE 3.44Å; A118-M133 VanDerWaalsContact CB-CE 3.44Å; A118-M133 HydrophobicContact CB-SD 3.89Å; F131-M133 HydrophobicContact CB-CG 4.44Å; M133-R166 CarbonylContact C-O 3.49Å; M133-R166 VanDerWaalsContact CA-O 3.29Å; M133-R166 WeakPolarHBondContact CA-O 3.23Å; M133-V167 HydrophobicContact CG-CG1 4.16Å; M133-V167 HydrophobicContact CG-CG2 4.32Å; M133-L188 HydrophobicContact SD-CD1 4.44Å; M133-L192 HydrophobicContact CB-CD2 4.17Å; M133-L192 HydrophobicContact CE-CD1 4.49Å; M133-L192 HydrophobicContact CE-CD2 4.4Å; M133-L192 HydrophobicContact CG-CD2 4.43Å; M133-L192 HydrophobicContact SD-CD2 3.83Å
134E94.1Very high92.3Very high63 Ų6345 Ų4529%0.29422%0.218SC..EExtended strand (participates in β ladder)trans-106.7135.3171.6-55.6178.5158.900108.7H132 L165 R166H132-E134 IonicContact CE1-OE1 3.2Å; H132-E134 PolarHBondContact CE1-OE1 3.06Å; H132-E134 IonicContact NE2-OE1 3.51Å; E134-L165 CarbonylContact O-C 3.5Å; E134-L165 WeakPolarHBondContact O-CA 3.29Å; E134-R166 HydrophobicContact CB-CB 4.24Å; E134-R166 PolarHBondContact N-O 2.99Å; E134-R166 PolarHBondContact O-N 3.27Å; E134-R166 WeakPolarHBondContact OE2-CD 3.45Å; E134-R166 IonicContact OE2-NH1 3.39Å; E134-R166 PolarHBondContact OE2-NH1 3.39Å
135T93Very high91.7Very high5 Ų546.1 Ų46.13%0.03123%0.229CC..EExtended strand (participates in β ladder)trans-154.5164.8173.3-170.50000110.2L114 M116 T160 V196L114-T135 WeakPolarHBondContact CA-O 3.46Å; L114-T135 HydrophobicContact CB-CG2 3.94Å; L114-T135 WeakPolarHBondContact CB-O 3.38Å; L114-T135 HydrophobicContact CD1-CG2 3.95Å; L114-T135 HydrophobicContact CG-CG2 4.36Å; L114-T135 PolarHBondContact N-O 3.37Å; L114-T135 PolarHBondContact O-N 3.44Å; L114-T135 VanDerWaalsContact O-N 3.12Å; M116-T135 HydrophobicContact CE-CG2 3.78Å; T135-T160 WeakPolarHBondContact OG1-CG2 3.4Å; T135-V196 HydrophobicContact CG2-CG2 4.34Å
136E93.9Very high90.7Very high24 Ų2446.8 Ų46.811%0.11224%0.235CC..EExtended strand (participates in β ladder)trans-126.4121.6-179.4-172.5-175.581.900110.3K111 Q138 S161 S164K111-E136 HydrophobicContact CB-CG 4.15Å; K111-E136 IonicContact NZ-OE1 2.74Å; K111-E136 PolarHBondContact NZ-OE1 2.74Å; K111-E136 IonicContact NZ-OE2 3.48Å; K111-E136 PolarHBondContact NZ-OE2 2.97Å; E136-Q138 HydrophobicContact CG-CG 4.34Å; E136-Q138 PolarHBondContact OE1-NE2 2.84Å; E136-S161 PolarHBondContact O-N 3.21Å; E136-S164 WeakPolarHBondContact CB-OG 3.31Å; E136-S164 PolarHBondContact N-OG 2.86Å
137A93.9Very high89.3Confident1 Ų142.1 Ų42.11%0.00824%0.237CC..EExtended strand (participates in β ladder)trans-85.3143164.800000109.8I112 L114 A159 L200 I204I112-A137 HydrophobicContact CB-CB 4.28Å; I112-A137 PolarHBondContact N-O 3.22Å; I112-A137 PolarHBondContact O-N 2.92Å; L114-A137 HydrophobicContact CD1-CB 4.44Å; A137-A159 CarbonylContact C-O 3.55Å; A137-A159 WeakPolarHBondContact CA-O 3.34Å; A137-L200 HydrophobicContact CB-CD2 4Å; A137-I204 HydrophobicContact CB-CD1 4.1Å
138Q93.9Very high87.7Confident50 Ų5044.5 Ų44.523%0.23426%0.256CS..EExtended strand (participates in β ladder)trans-127132.3-179.4-63.9-176.49.600109.1L109 V110 K111 E136 C158 A159L109-Q138 HydrophobicContact CD1-CB 4.17Å; V110-Q138 CarbonylContact O-C 3.56Å; V110-Q138 WeakPolarHBondContact O-CA 3.37Å; K111-Q138 HydrophobicContact CG-CG 4.3Å; E136-Q138 HydrophobicContact CG-CG 4.34Å; E136-Q138 PolarHBondContact OE1-NE2 2.84Å; Q138-C158 CarbonylContact O-C 3.54Å; Q138-C158 VanDerWaalsContact O-CA 3.31Å; Q138-C158 WeakPolarHBondContact O-CA 3.32Å; Q138-A159 PolarHBondContact N-O 3.35Å; Q138-A159 PolarHBondContact O-N 2.88Å
139A93.8Very high86.4Confident2 Ų242.6 Ų42.62%0.01725%0.253CS..EExtended strand (participates in β ladder)trans-123.7136.2174.100000110V110 L155 D157 I204V110-A139 HydrophobicContact CB-CB 4.4Å; V110-A139 PolarHBondContact N-O 2.87Å; V110-A139 PolarHBondContact O-N 3.06Å; A139-L155 HydrophobicContact CB-CD1 3.77Å; A139-L155 HydrophobicContact CB-CG 4.29Å; A139-D157 WeakPolarHBondContact CA-O 3.41Å; A139-I204 HydrophobicContact CB-CG2 3.93Å
140I93.6Very high85.5Confident48 Ų4848.1 Ų48.125%0.24629%0.289CS..EExtended strand (participates in β ladder)trans-105.1122.1175.8-58.2177.5000107.8E107 L108 L109 S156 D157E107-I140 HydrophobicContact CB-CG2 4.13Å; L108-I140 WeakPolarHBondContact O-CA 3.36Å; L109-I140 HydrophobicContact CD1-CG1 4.17Å; I140-S156 PolarHBondContact O-N 2.79Å; I140-S156 PolarHBondContact O-OG 2.8Å; I140-S156 VanDerWaalsContact O-OG 3.1Å; I140-D157 HydrophobicContact CB-CB 4.32Å; I140-D157 HydrophobicContact CD1-CB 4.29Å; I140-D157 HydrophobicContact CG1-CB 4.49Å; I140-D157 PolarHBondContact N-O 2.9Å
141V93.2Very high84.9Confident3 Ų347.3 Ų47.32%0.01829%0.288CS..EExtended strand (participates in β ladder)trans-103.5128.9173.6-179.80000108.4E107 L108 V110 L153 V154 F208 I239E107-V141 CarbonylContact C-O 3.46Å; E107-V141 VanDerWaalsContact CA-O 3.24Å; E107-V141 WeakPolarHBondContact CA-O 3.32Å; E107-V141 WeakPolarHBondContact CB-O 3.36Å; L108-V141 HydrophobicContact CB-CB 4.22Å; L108-V141 PolarHBondContact N-O 3.24Å; L108-V141 PolarHBondContact O-N 2.98Å; V110-V141 HydrophobicContact CG2-CG2 4.35Å; V141-L153 HydrophobicContact CG1-CB 4.42Å; V141-L153 HydrophobicContact CG1-CD2 4.27Å; V141-V154 WeakPolarHBondContact CA-O 3.39Å; V141-F208 HydrophobicContact CB-CE2 4.29Å; V141-F208 HydrophobicContact CB-CZ 4.33Å; V141-F208 HydrophobicContact CG1-CE1 4.2Å; V141-F208 HydrophobicContact CG1-CE2 3.71Å; V141-F208 HydrophobicContact CG1-CZ 3.36Å; V141-F208 HydrophobicContact CG2-CD2 3.93Å; V141-F208 HydrophobicContact CG2-CE2 3.54Å; V141-F208 HydrophobicContact CG2-CZ 3.97Å; V141-I239 HydrophobicContact CG1-CD1 4.37Å
142R91.6Very high84.6Confident90 Ų9053.5 Ų53.534%0.3431%0.312SS..EExtended strand (participates in β ladder)trans-135.9170.6176.970.9179.5166.764.110.3111.7E107 D144 V154E107-R142 HydrophobicContact CG-CB 3.94Å; R142-D144 IonicContact NH1-OD1 2.9Å; R142-V154 HydrophobicContact CG-CG2 4.18Å; R142-V154 PolarHBondContact N-O 2.78Å; R142-V154 PolarHBondContact O-N 3.26Å
143M88.9Confident84.4Confident48 Ų4851.7 Ų51.724%0.23630%0.303CS..EExtended strand (participates in β ladder)trans-77.7129.5170-64.8-63.2-73.700110T151 L153 P237M143-T151 HydrophobicContact CE-CG2 3.22Å; M143-L153 HydrophobicContact SD-CD2 3.46Å; M143-L153 WeakPolarHBondContact SD-CD2 3.15Å; M143-L153 HydrophobicContact SD-CG 4.2Å; M143-P237 VanDerWaalsContact CE-C 3.44Å; M143-P237 HydrophobicContact CE-CB 4.18Å; M143-P237 HydrophobicContact CE-CG 3.84Å; M143-P237 WeakPolarHBondContact CE-O 3.12Å; M143-P237 HydrophobicContact SD-CB 4.27Å; M143-P237 HydrophobicContact SD-CG 4.24Å
144D86.1Confident84.2Confident41 Ų4152.5 Ų52.522%0.21931%0.308CS..EExtended strand (participates in β ladder)trans-107.9105171-171.133.4000109.2R142 R152 V154R142-D144 IonicContact NH1-OD1 2.9Å; D144-R152 HydrophobicContact CB-CG 4.22Å; D144-R152 PolarHBondContact N-O 2.89Å; D144-R152 PolarHBondContact O-N 3.44Å; D144-R152 IonicContact OD2-CZ 2.71Å; D144-R152 IonicContact OD2-NE 2.7Å; D144-R152 IonicContact OD2-NH2 2.64Å; D144-R152 PolarHBondContact OD2-NH2 2.85Å; D144-V154 HydrophobicContact CB-CB 4.31Å; D144-V154 HydrophobicContact CB-CG1 3.61Å; D144-V154 HydrophobicContact CB-CG2 3.69Å
145T76.3Confident84.1Confident101 Ų10150.7 Ų50.762%0.6230%0.3SS*.  trans-102.984.3175.3-44.90000107.8
146S68.9Low83.9Confident51 Ų5152.4 Ų52.436%0.35731%0.313SS..  trans-66.1149173.3720000110.5S148 G149S146-S148 PolarHBondContact O-N 3.5Å; S146-G149 WeakPolarHBondContact OG-CA 3.39Å; S146-G149 PolarHBondContact OG-N 3.38Å
147A58.3Low83.7Confident118 Ų11855.2 Ų55.298%0.97533%0.328SS*.THydrogen-bonded Turntrans-62.7-13.6-176.100000114.8
148S56.8Low83.6Confident126 Ų12655.7 Ų55.788%0.88133%0.331SS*.THydrogen-bonded Turntrans-1377-17660.70000115S146S146-S148 PolarHBondContact O-N 3.5Å
149G65.6Low83.4Confident28 Ų2854.9 Ų54.929%0.28933%0.334SS..SBendtrans-129.7163.3-174.400000113.8S146S146-G149 WeakPolarHBondContact OG-CA 3.39Å; S146-G149 PolarHBondContact OG-N 3.38Å
150P74.1Confident83Confident116 Ų11655.7 Ų55.775%0.75334%0.338SS*.  trans-64.7139.3178.928-33.8000110.5R152P150-R152 PolarHBondContact O-N 3.1Å
151T83.8Confident82.3Confident40 Ų4054.3 Ų54.325%0.24533%0.333CS..  trans-60.4130.5175.9-48.10000110.1M143 P237M143-T151 HydrophobicContact CE-CG2 3.22Å; T151-P237 WeakPolarHBondContact O-CD 3.3Å; T151-P237 WeakPolarHBondContact O-CG 3.48Å
152R88.4Confident81.4Confident129 Ų12959.9 Ų59.949%0.48736%0.363SS..EExtended strand (participates in β ladder)trans-137.2158.6-177.860.2176.4-175.6150.74.6111.7D144 P150 V154 Y212D144-R152 HydrophobicContact CB-CG 4.22Å; D144-R152 PolarHBondContact N-O 2.89Å; D144-R152 PolarHBondContact O-N 3.44Å; D144-R152 IonicContact OD2-CZ 2.71Å; D144-R152 IonicContact OD2-NE 2.7Å; D144-R152 IonicContact OD2-NH2 2.64Å; D144-R152 PolarHBondContact OD2-NH2 2.85Å; P150-R152 PolarHBondContact O-N 3.1Å; R152-V154 HydrophobicContact CG-CG1 3.95Å; R152-Y212 HydrophobicContact CB-CE1 4.27Å
153L90.1Very high80.8Confident2 Ų264.8 Ų64.81%0.0139%0.389CS..EExtended strand (participates in β ladder)trans-79.6134.5168.4-66.4165.7000109.2V141 M143 F208 Y212 P237 I239 I244V141-L153 HydrophobicContact CG1-CB 4.42Å; V141-L153 HydrophobicContact CG1-CD2 4.27Å; M143-L153 HydrophobicContact SD-CD2 3.46Å; M143-L153 WeakPolarHBondContact SD-CD2 3.15Å; M143-L153 HydrophobicContact SD-CG 4.2Å; L153-F208 HydrophobicContact CB-CE1 4.26Å; L153-F208 HydrophobicContact CB-CZ 3.94Å; L153-Y212 HydrophobicContact CB-CD2 4.34Å; L153-Y212 HydrophobicContact CB-CE2 4.17Å; L153-Y212 HydrophobicContact CD1-CD2 3.96Å; L153-Y212 HydrophobicContact CD1-CE2 3.73Å; L153-Y212 HydrophobicContact CG-CE2 4.21Å; L153-P237 HydrophobicContact CD1-CB 4.21Å; L153-P237 HydrophobicContact CG-CB 3.96Å; L153-P237 HydrophobicContact CG-CG 4.34Å; L153-I239 HydrophobicContact CD2-CD1 3.77Å; L153-I239 HydrophobicContact CD2-CG1 3.74Å; L153-I244 HydrophobicContact CD1-CD1 4.1Å; L153-I244 HydrophobicContact CD1-CG1 4.32Å; L153-I244 HydrophobicContact CD1-CG2 3.59Å
154V91Very high80.4Confident17 Ų1764 Ų6410%0.10339%0.389CS..EExtended strand (participates in β ladder)trans-134.8148.8174.7-57.40000110.1V141 R142 D144 R152 S156V141-V154 WeakPolarHBondContact CA-O 3.39Å; R142-V154 HydrophobicContact CG-CG2 4.18Å; R142-V154 PolarHBondContact N-O 2.78Å; R142-V154 PolarHBondContact O-N 3.26Å; D144-V154 HydrophobicContact CB-CB 4.31Å; D144-V154 HydrophobicContact CB-CG1 3.61Å; D144-V154 HydrophobicContact CB-CG2 3.69Å; R152-V154 HydrophobicContact CG-CG1 3.95Å; V154-S156 PolarHBondContact O-N 3.11Å
155L91Very high80.4Confident24 Ų2463.4 Ų63.413%0.12639%0.385CS..EExtended strand (participates in β ladder)trans-74.9117.1160.7-171.8154.3000107.5A139 D157 C158 I204 E205 F208A139-L155 HydrophobicContact CB-CD1 3.77Å; A139-L155 HydrophobicContact CB-CG 4.29Å; L155-D157 WeakPolarHBondContact CD2-O 3.31Å; L155-C158 HydrophobicContact CD2-CB 4.04Å; L155-I204 HydrophobicContact CD1-CB 4.44Å; L155-I204 HydrophobicContact CD1-CG2 3.62Å; L155-E205 HydrophobicContact CD1-CB 4.44Å; L155-F208 HydrophobicContact CB-CD1 4.23Å
156S87.8Confident81.1Confident41 Ų4165.6 Ų65.629%0.28738%0.382SS..EExtended strand (participates in β ladder)trans-97.8-29.3-176.652.40000115.1I140 V154I140-S156 PolarHBondContact O-N 2.79Å; I140-S156 PolarHBondContact O-OG 2.8Å; I140-S156 VanDerWaalsContact O-OG 3.1Å; V154-S156 PolarHBondContact O-N 3.11Å
157D90Very high82.1Confident83 Ų8364 Ų6444%0.44437%0.371SS..EExtended strand (participates in β ladder)trans-147.6147.2178.3-164.69.6000109.5A139 I140 L155A139-D157 WeakPolarHBondContact CA-O 3.41Å; I140-D157 HydrophobicContact CB-CB 4.32Å; I140-D157 HydrophobicContact CD1-CB 4.29Å; I140-D157 HydrophobicContact CG1-CB 4.49Å; I140-D157 PolarHBondContact N-O 2.9Å; L155-D157 WeakPolarHBondContact CD2-O 3.31Å
158C92.1Very high83.8Confident11 Ų1163.6 Ų63.67%0.07435%0.349CS..EExtended strand (participates in β ladder)trans-140.6125.7171.1176.20000109.6Q138 L155 K197 C201Q138-C158 CarbonylContact O-C 3.54Å; Q138-C158 VanDerWaalsContact O-CA 3.31Å; Q138-C158 WeakPolarHBondContact O-CA 3.32Å; L155-C158 HydrophobicContact CD2-CB 4.04Å; C158-K197 WeakPolarHBondContact O-CE 3.39Å; C158-C201 VanDerWaalsContact C-SG 3.53Å; C158-C201 HydrophobicContact CB-CB 3.6Å; C158-C201 WeakPolarHBondContact CB-SG 3.25Å; C158-C201 PolarHBondContact O-SG 2.86Å; C158-C201 WeakPolarHBondContact SG-CA 3.32Å; C158-C201 WeakPolarHBondContact SG-CB 3.35Å; C158-C201 CovalentContact SG-SG 2.04Å; C158-C201 PolarHBondContact SG-SG 2.79Å
159A90.5Very high85.5Confident34 Ų3460 Ų6028%0.28132%0.319SS..EExtended strand (participates in β ladder)trans-136.8168.4-176.900000110.8A137 Q138A137-A159 CarbonylContact C-O 3.55Å; A137-A159 WeakPolarHBondContact CA-O 3.34Å; Q138-A159 PolarHBondContact N-O 3.35Å; Q138-A159 PolarHBondContact O-N 2.88Å
160T86.1Confident86.7Confident18 Ų1862.3 Ų62.311%0.1132%0.324CS..EExtended strand (participates in β ladder)trans-119136.3169.9-52.10000107.7T135 D162 P193 V196 K197T135-T160 WeakPolarHBondContact OG1-CG2 3.4Å; T160-D162 PolarHBondContact O-N 3.37Å; T160-P193 HydrophobicContact CG2-CB 4.2Å; T160-P193 PolarHBondContact OG1-O 3Å; T160-V196 HydrophobicContact CG2-CB 4.29Å; T160-V196 HydrophobicContact CG2-CG1 4.12Å; T160-K197 PolarHBondContact OG1-N 3.37Å
161S77.1Confident87.4Confident20 Ų2061.9 Ų61.914%0.1431%0.312CS..EExtended strand (participates in β ladder)trans-83.2115.1-177.11710000110.8E136 E163 S164E136-S161 PolarHBondContact O-N 3.21Å; S161-E163 VanDerWaalsContact C-N 3.25Å; S161-E163 PolarHBondContact O-N 3.14Å; S161-E163 PolarHBondContact OG-N 3.3Å; S161-S164 WeakPolarHBondContact CB-OG 3.08Å; S161-S164 PolarHBondContact O-N 2.93Å; S161-S164 PolarHBondContact O-OG 2.8Å; S161-S164 PolarHBondContact OG-N 3.21Å
162D74.8Confident87.4Confident120 Ų12069.8 Ų69.864%0.64234%0.343SS*.EExtended strand (participates in β ladder)trans-62.3-34.7172.8-65.6-23.1000111.7T160 S164 L165 P193T160-D162 PolarHBondContact O-N 3.37Å; D162-S164 VanDerWaalsContact C-N 3.29Å; D162-S164 PolarHBondContact O-N 2.97Å; D162-L165 WeakPolarHBondContact O-CB 3.49Å; D162-L165 PolarHBondContact O-N 3.39Å; D162-P193 WeakPolarHBondContact OD1-CB 3.44Å; D162-P193 VanDerWaalsContact OD1-CG 3.22Å; D162-P193 WeakPolarHBondContact OD1-CG 3.17Å
163E78.6Confident87.4Confident192 Ų19265.6 Ų65.690%0.89733%0.328SS*.EExtended strand (participates in β ladder)trans-67.5-28.1-180-63.5-177.2169.900113.3S161 L165S161-E163 VanDerWaalsContact C-N 3.25Å; S161-E163 PolarHBondContact O-N 3.14Å; S161-E163 PolarHBondContact OG-N 3.3Å; E163-L165 VanDerWaalsContact C-N 3.32Å
164S80.6Confident87.4Confident32 Ų3268.8 Ų68.822%0.22435%0.351CS..EExtended strand (participates in β ladder)trans-82.1-11-179.971.90000113.7E136 S161 D162 R166E136-S164 WeakPolarHBondContact CB-OG 3.31Å; E136-S164 PolarHBondContact N-OG 2.86Å; S161-S164 WeakPolarHBondContact CB-OG 3.08Å; S161-S164 PolarHBondContact O-N 2.93Å; S161-S164 PolarHBondContact O-OG 2.8Å; S161-S164 PolarHBondContact OG-N 3.21Å; D162-S164 VanDerWaalsContact C-N 3.29Å; D162-S164 PolarHBondContact O-N 2.97Å; S164-R166 PolarHBondContact O-N 2.77Å
165L87.6Confident87.3Confident28 Ų2876.3 Ų76.315%0.14738%0.383CS..EExtended strand (participates in β ladder)trans-71.4122.3-172.6178.358.7000111.6E134 D162 E163 V167 V189 L192 P193E134-L165 CarbonylContact O-C 3.5Å; E134-L165 WeakPolarHBondContact O-CA 3.29Å; D162-L165 WeakPolarHBondContact O-CB 3.49Å; D162-L165 PolarHBondContact O-N 3.39Å; E163-L165 VanDerWaalsContact C-N 3.32Å; L165-V167 HydrophobicContact CD1-CG2 3.91Å; L165-V167 HydrophobicContact CG-CG2 4.29Å; L165-V189 HydrophobicContact CD2-CB 4.37Å; L165-V189 HydrophobicContact CD2-CG1 4.11Å; L165-V189 WeakPolarHBondContact CD2-O 3.41Å; L165-L192 HydrophobicContact CD1-CD2 3.64Å; L165-P193 HydrophobicContact CD2-CG 3.93Å
166R90.1Very high87.1Confident147 Ų14780.8 Ų80.856%0.55541%0.406SS*.EExtended strand (participates in β ladder)trans-128.1124170.9-64.6169.5174177.60.4109.3M133 E134 S164M133-R166 CarbonylContact C-O 3.49Å; M133-R166 VanDerWaalsContact CA-O 3.29Å; M133-R166 WeakPolarHBondContact CA-O 3.23Å; E134-R166 HydrophobicContact CB-CB 4.24Å; E134-R166 PolarHBondContact N-O 2.99Å; E134-R166 PolarHBondContact O-N 3.27Å; E134-R166 WeakPolarHBondContact OE2-CD 3.45Å; E134-R166 IonicContact OE2-NH1 3.39Å; E134-R166 PolarHBondContact OE2-NH1 3.39Å; S164-R166 PolarHBondContact O-N 2.77Å
167V90.7Very high87.2Confident19 Ų1978.9 Ų78.912%0.11539%0.393CS..EExtended strand (participates in β ladder)trans-118.8123172.6-1730000107.5F131 H132 M133 L165 M185 V189F131-V167 HydrophobicContact CB-CG1 4.18Å; H132-V167 CarbonylContact O-C 3.54Å; H132-V167 WeakPolarHBondContact O-CA 3.48Å; M133-V167 HydrophobicContact CG-CG1 4.16Å; M133-V167 HydrophobicContact CG-CG2 4.32Å; L165-V167 HydrophobicContact CD1-CG2 3.91Å; L165-V167 HydrophobicContact CG-CG2 4.29Å; V167-M185 HydrophobicContact CB-CE 4.17Å; V167-M185 HydrophobicContact CG1-CB 4.34Å; V167-M185 HydrophobicContact CG1-CE 3.95Å; V167-M185 HydrophobicContact CG1-CG 3.82Å; V167-M185 HydrophobicContact CG1-SD 4.49Å; V167-M185 WeakPolarHBondContact O-CE 3.24Å; V167-V189 HydrophobicContact CB-CG2 4.38Å; V167-V189 HydrophobicContact CG2-CG2 4.01Å
168Q92.4Very high87.1Confident109 Ų10977.2 Ų77.251%0.50938%0.384SS..EExtended strand (participates in β ladder)trans-132.1137.8-177.8-59.6-175.725.300110.4F131 H132 L170F131-Q168 CarbonylContact C-O 3.57Å; F131-Q168 VanDerWaalsContact CA-O 3.24Å; F131-Q168 WeakPolarHBondContact CA-O 3.21Å; H132-Q168 PolarHBondContact N-O 3.39Å; H132-Q168 PolarHBondContact O-N 3.23Å; Q168-L170 PolarHBondContact O-N 3.47Å
169L92.7Very high87Confident51 Ų5178.9 Ų78.927%0.26740%0.399SS..EExtended strand (participates in β ladder)trans-75.2123.5173.3-177.967.4000109.5V129 F131 H171 F173 A181 M185V129-L169 HydrophobicContact CG1-CD1 3.64Å; F131-L169 HydrophobicContact CD1-CB 4.43Å; F131-L169 HydrophobicContact CD1-CD1 3.86Å; F131-L169 HydrophobicContact CE1-CD1 3.71Å; L169-H171 VanDerWaalsContact CD2-O 3.27Å; L169-H171 WeakPolarHBondContact CD2-O 3.01Å; L169-H171 VanDerWaalsContact CG-O 3.23Å; L169-H171 WeakPolarHBondContact CG-O 3.46Å; L169-F173 HydrophobicContact CD1-CD2 4.42Å; L169-F173 HydrophobicContact CD1-CE2 4.25Å; L169-F173 HydrophobicContact CD2-CD2 4.43Å; L169-A181 HydrophobicContact CD1-CB 3.97Å; L169-A181 HydrophobicContact CD2-CB 4.25Å; L169-M185 HydrophobicContact CB-SD 4.27Å
170L90.6Very high87Confident76 Ų7678 Ų7840%0.39839%0.389SS..SBendtrans-69.8-34.9-174.7-78.3-179.4000113.4V117 E130 H132 Q168V117-L170 HydrophobicContact CG1-CD1 3.83Å; V117-L170 HydrophobicContact CG2-CD1 4.49Å; E130-L170 HydrophobicContact CB-CB 4.37Å; E130-L170 HydrophobicContact CB-CD1 3.83Å; E130-L170 HydrophobicContact CB-CG 4.46Å; E130-L170 PolarHBondContact O-N 2.84Å; H132-L170 HydrophobicContact CB-CD2 3.71Å; H132-L170 HydrophobicContact CB-CG 4.11Å; Q168-L170 PolarHBondContact O-N 3.47Å
171H89.1Confident87.2Confident107 Ų10777.1 Ų77.150%0.49538%0.384SS..SBendtrans-131.9142.9-175.5-6198.2000111.1L169 F173L169-H171 VanDerWaalsContact CD2-O 3.27Å; L169-H171 WeakPolarHBondContact CD2-O 3.01Å; L169-H171 VanDerWaalsContact CG-O 3.23Å; L169-H171 WeakPolarHBondContact CG-O 3.46Å; H171-F173 HydrophobicContact CB-CE2 3.9Å; H171-F173 HydrophobicContact CB-CZ 3.91Å; H171-F173 WeakPolarHBondContact O-CD2 3.49Å; H171-F173 VanDerWaalsContact O-CE2 3.28Å; H171-F173 WeakPolarHBondContact O-CE2 3.43Å
172K84.7Confident87.9Confident205 Ų20582.6 Ų82.689%0.89141%0.405SS*.  trans-79.3126172.4-69.6-176179.8178.30109.8
173F88.6Confident88.6Confident41 Ų4180.7 Ų80.718%0.1839%0.392CS..  trans-107.1-169.5175.1-63.6-81000111.3V125 T127 V129 L169 H171 V177 N178V125-F173 HydrophobicContact CG2-CD1 4.34Å; T127-F173 WeakPolarHBondContact OG1-CE1 3.49Å; V129-F173 HydrophobicContact CB-CE2 4.18Å; V129-F173 HydrophobicContact CB-CZ 4.48Å; V129-F173 HydrophobicContact CG1-CD2 4.08Å; V129-F173 HydrophobicContact CG1-CE2 3.74Å; V129-F173 HydrophobicContact CG2-CD2 4.36Å; V129-F173 HydrophobicContact CG2-CE2 4.14Å; V129-F173 HydrophobicContact CG2-CZ 4.26Å; L169-F173 HydrophobicContact CD1-CD2 4.42Å; L169-F173 HydrophobicContact CD1-CE2 4.25Å; L169-F173 HydrophobicContact CD2-CD2 4.43Å; H171-F173 HydrophobicContact CB-CE2 3.9Å; H171-F173 HydrophobicContact CB-CZ 3.91Å; H171-F173 WeakPolarHBondContact O-CD2 3.49Å; H171-F173 VanDerWaalsContact O-CE2 3.28Å; H171-F173 WeakPolarHBondContact O-CE2 3.43Å; F173-V177 HydrophobicContact CB-CB 3.6Å; F173-V177 HydrophobicContact CB-CG1 3.44Å; F173-V177 VanDerWaalsContact CB-CG1 3.44Å; F173-V177 HydrophobicContact CB-CG2 4.49Å; F173-V177 HydrophobicContact CD1-CG1 4.3Å; F173-V177 HydrophobicContact CD2-CG1 4.03Å; F173-V177 HydrophobicContact CG-CB 4.36Å; F173-V177 HydrophobicContact CG-CG1 3.67Å; F173-N178 WeakPolarHBondContact CA-OD1 3.48Å; F173-N178 WeakPolarHBondContact CB-OD1 3.32Å; F173-N178 PolarHBondContact N-OD1 2.79Å; F173-N178 PolarHBondContact O-ND2 2.8Å
174S88.4Confident89.2Confident70 Ų7071.6 Ų71.649%0.4935%0.35SS..  trans-62.8160.5171.468.70000111.2L176 V177 N178S174-L176 VanDerWaalsContact C-N 3.27Å; S174-L176 PolarHBondContact O-N 2.88Å; S174-V177 PolarHBondContact O-N 3.44Å; S174-V177 VanDerWaalsContact O-N 3.11Å; S174-V177 WeakPolarHBondContact OG-CG2 3.37Å; S174-N178 PolarHBondContact O-N 2.56Å; S174-N178 PolarHBondContact O-ND2 2.66Å
175F88.9Confident89.6Confident175 Ų17571.9 Ų71.977%0.76835%0.348SS*.Hα-helixtrans-50.7-44.8-177.8178-98.2000113.2N178 A179F175-N178 PolarHBondContact O-N 3.36Å; F175-A179 WeakPolarHBondContact O-CB 3.46Å; F175-A179 PolarHBondContact O-N 2.8Å
176L87.9Confident89.7Confident117 Ų11774.5 Ų74.561%0.61336%0.362SS*.Hα-helixtrans-67.8-40.9-179.8-66.8174.3000112.8S174 A179 L180S174-L176 VanDerWaalsContact C-N 3.27Å; S174-L176 PolarHBondContact O-N 2.88Å; L176-A179 PolarHBondContact O-N 3.15Å; L176-L180 PolarHBondContact O-N 2.8Å
177V89.1Confident89.6Confident1 Ų168.7 Ų68.71%0.00634%0.342CS..Hα-helixtrans-69.6-39.2179178.10000110.4L124 V125 V129 F173 S174 A179 L180 A181L124-V177 HydrophobicContact CB-CG2 3.79Å; V125-V177 HydrophobicContact CB-CG2 4.09Å; V125-V177 HydrophobicContact CG1-CG1 4.06Å; V125-V177 HydrophobicContact CG1-CG2 4.16Å; V129-V177 HydrophobicContact CG2-CG1 3.59Å; F173-V177 HydrophobicContact CB-CB 3.6Å; F173-V177 HydrophobicContact CB-CG1 3.44Å; F173-V177 VanDerWaalsContact CB-CG1 3.44Å; F173-V177 HydrophobicContact CB-CG2 4.49Å; F173-V177 HydrophobicContact CD1-CG1 4.3Å; F173-V177 HydrophobicContact CD2-CG1 4.03Å; F173-V177 HydrophobicContact CG-CB 4.36Å; F173-V177 HydrophobicContact CG-CG1 3.67Å; S174-V177 PolarHBondContact O-N 3.44Å; S174-V177 VanDerWaalsContact O-N 3.11Å; S174-V177 WeakPolarHBondContact OG-CG2 3.37Å; V177-A179 VanDerWaalsContact C-N 3.34Å; V177-A179 PolarHBondContact O-N 2.84Å; V177-L180 PolarHBondContact O-N 3.15Å; V177-A181 VanDerWaalsContact O-CB 3.24Å; V177-A181 WeakPolarHBondContact O-CB 3.22Å; V177-A181 PolarHBondContact O-N 3.1Å
178N89.3Confident89.4Confident48 Ų4867.9 Ų67.926%0.25734%0.337SS..Hα-helixtrans-64.2-39174.3-68.3-23.9000111.9F173 S174 F175 A181 K182F173-N178 WeakPolarHBondContact CA-OD1 3.48Å; F173-N178 WeakPolarHBondContact CB-OD1 3.32Å; F173-N178 PolarHBondContact N-OD1 2.79Å; F173-N178 PolarHBondContact O-ND2 2.8Å; S174-N178 PolarHBondContact O-N 2.56Å; S174-N178 PolarHBondContact O-ND2 2.66Å; F175-N178 PolarHBondContact O-N 3.36Å; N178-A181 PolarHBondContact O-N 3.46Å; N178-K182 WeakPolarHBondContact O-CB 3.43Å; N178-K182 PolarHBondContact O-N 2.8Å
179A89.9Confident89.2Confident47 Ų4765.9 Ų65.939%0.38833%0.332SS..Hα-helixtrans-62.8-47.5175.200000111.2F175 L176 V177 A181 K182 E183F175-A179 WeakPolarHBondContact O-CB 3.46Å; F175-A179 PolarHBondContact O-N 2.8Å; L176-A179 PolarHBondContact O-N 3.15Å; V177-A179 VanDerWaalsContact C-N 3.34Å; V177-A179 PolarHBondContact O-N 2.84Å; A179-A181 PolarHBondContact O-N 3.01Å; A179-K182 PolarHBondContact O-N 3.39Å; A179-E183 PolarHBondContact O-N 2.88Å; A179-E183 VanDerWaalsContact O-N 3.13Å
180L89.9Confident88.9Confident15 Ų1566 Ų668%0.07934%0.336CS..Hα-helixtrans-60.3-45.2174.8178.862.5000111.8V80 F120 T122 L124 L176 V177 K182 E183 V184V80-L180 HydrophobicContact CG1-CD1 4.02Å; F120-L180 HydrophobicContact CE2-CD2 3.79Å; F120-L180 HydrophobicContact CE2-CG 4.14Å; F120-L180 HydrophobicContact CZ-CD2 4.26Å; F120-L180 HydrophobicContact CZ-CG 4.2Å; T122-L180 HydrophobicContact CG2-CD2 4.43Å; T122-L180 WeakPolarHBondContact OG1-CD2 3.48Å; L124-L180 HydrophobicContact CD1-CB 4.42Å; L124-L180 HydrophobicContact CD1-CD2 3.72Å; L176-L180 PolarHBondContact O-N 2.8Å; V177-L180 PolarHBondContact O-N 3.15Å; L180-K182 VanDerWaalsContact C-N 3.3Å; L180-K182 PolarHBondContact O-N 2.82Å; L180-E183 PolarHBondContact O-N 3.4Å; L180-V184 HydrophobicContact CD1-CG2 4.47Å; L180-V184 WeakPolarHBondContact O-CG2 3.5Å; L180-V184 PolarHBondContact O-N 3.22Å
181A91.3Very high88.7Confident0 Ų062.8 Ų62.80%032%0.321CS..Hα-helixtrans-59.8-41.417900000111.7F120 V129 F131 L169 V177 N178 A179 V184 M185F120-A181 HydrophobicContact CE1-CB 4.29Å; F120-A181 HydrophobicContact CZ-CB 4.34Å; V129-A181 HydrophobicContact CG1-CB 3.97Å; F131-A181 HydrophobicContact CE1-CB 3.89Å; F131-A181 HydrophobicContact CZ-CB 4.06Å; L169-A181 HydrophobicContact CD1-CB 3.97Å; L169-A181 HydrophobicContact CD2-CB 4.25Å; V177-A181 VanDerWaalsContact O-CB 3.24Å; V177-A181 WeakPolarHBondContact O-CB 3.22Å; V177-A181 PolarHBondContact O-N 3.1Å; N178-A181 PolarHBondContact O-N 3.46Å; A179-A181 PolarHBondContact O-N 3.01Å; A181-V184 PolarHBondContact O-N 3.04Å; A181-M185 VanDerWaalsContact O-CG 3.26Å; A181-M185 WeakPolarHBondContact O-CG 3.34Å; A181-M185 PolarHBondContact O-N 2.87Å
182K90.8Very high88.6Confident134 Ų13457.8 Ų57.858%0.58330%0.297SS*.Hα-helixtrans-62.2-42.1175.5-171.9178.7-179-177.50112.1N178 A179 L180 M185 N186N178-K182 WeakPolarHBondContact O-CB 3.43Å; N178-K182 PolarHBondContact O-N 2.8Å; A179-K182 PolarHBondContact O-N 3.39Å; L180-K182 VanDerWaalsContact C-N 3.3Å; L180-K182 PolarHBondContact O-N 2.82Å; K182-M185 PolarHBondContact O-N 2.88Å; K182-N186 PolarHBondContact O-N 2.88Å; K182-N186 PolarHBondContact O-ND2 2.64Å; K182-N186 PolarHBondContact O-OD1 2.79Å
183E90.2Very high88.8Confident81 Ų8148.3 Ų48.338%0.37926%0.257SS..Hα-helixtrans-65.2-41.8175.6-67-53.814800112.2V80 A179 L180 M185 N186 L187V80-E183 HydrophobicContact CG1-CB 3.97Å; V80-E183 HydrophobicContact CG2-CB 3.74Å; V80-E183 HydrophobicContact CG2-CG 4.24Å; A179-E183 PolarHBondContact O-N 2.88Å; A179-E183 VanDerWaalsContact O-N 3.13Å; L180-E183 PolarHBondContact O-N 3.4Å; E183-M185 VanDerWaalsContact C-N 3.32Å; E183-M185 PolarHBondContact O-N 3.06Å; E183-N186 PolarHBondContact O-N 2.9Å; E183-L187 WeakPolarHBondContact O-CG 3.3Å; E183-L187 PolarHBondContact O-N 2.69Å; E183-L187 VanDerWaalsContact O-N 3.15Å
184V90.1Very high88.7Confident1 Ų150.2 Ų50.21%0.00627%0.269CS..Hα-helixtrans-61.7-41.1174.4174.90000111.1V80 V84 L87 F120 F131 L180 A181 L187 L188V80-V184 HydrophobicContact CG1-CG2 3.86Å; V84-V184 HydrophobicContact CG2-CG2 3.95Å; L87-V184 HydrophobicContact CD1-CG1 4.36Å; L87-V184 HydrophobicContact CD2-CG1 4.27Å; F120-V184 HydrophobicContact CD1-CG1 4.45Å; F120-V184 HydrophobicContact CE1-CG2 4.45Å; F120-V184 HydrophobicContact CZ-CG2 4.41Å; F131-V184 HydrophobicContact CE2-CB 4.32Å; F131-V184 HydrophobicContact CE2-CG1 3.71Å; F131-V184 HydrophobicContact CZ-CB 4.06Å; F131-V184 HydrophobicContact CZ-CG1 3.96Å; L180-V184 HydrophobicContact CD1-CG2 4.47Å; L180-V184 WeakPolarHBondContact O-CG2 3.5Å; L180-V184 PolarHBondContact O-N 3.22Å; A181-V184 PolarHBondContact O-N 3.04Å; V184-L187 PolarHBondContact O-N 3.38Å; V184-L188 HydrophobicContact CG1-CD1 4.01Å; V184-L188 HydrophobicContact CG1-CG 4.43Å; V184-L188 WeakPolarHBondContact O-CG 3.29Å; V184-L188 PolarHBondContact O-N 3.01Å
185M90Very high88.8Confident37 Ų3747.2 Ų47.218%0.18225%0.247CC..Hα-helixtrans-61.4-44.4174.3-70.3172.258.900112.1F131 V167 L169 A181 K182 E183 L187 L188 V189F131-M185 HydrophobicContact CD1-CG 3.57Å; F131-M185 HydrophobicContact CD1-SD 3.76Å; F131-M185 HydrophobicContact CE1-CG 3.29Å; F131-M185 HydrophobicContact CE1-SD 3.61Å; F131-M185 HydrophobicContact CG-CG 4.38Å; F131-M185 HydrophobicContact CZ-CG 3.9Å; V167-M185 HydrophobicContact CB-CE 4.17Å; V167-M185 HydrophobicContact CG1-CB 4.34Å; V167-M185 HydrophobicContact CG1-CE 3.95Å; V167-M185 HydrophobicContact CG1-CG 3.82Å; V167-M185 HydrophobicContact CG1-SD 4.49Å; V167-M185 WeakPolarHBondContact O-CE 3.24Å; L169-M185 HydrophobicContact CB-SD 4.27Å; A181-M185 VanDerWaalsContact O-CG 3.26Å; A181-M185 WeakPolarHBondContact O-CG 3.34Å; A181-M185 PolarHBondContact O-N 2.87Å; K182-M185 PolarHBondContact O-N 2.88Å; E183-M185 VanDerWaalsContact C-N 3.32Å; E183-M185 PolarHBondContact O-N 3.06Å; M185-L187 PolarHBondContact O-N 3.2Å; M185-L188 PolarHBondContact O-N 3.35Å; M185-L188 VanDerWaalsContact O-N 3.07Å; M185-V189 WeakPolarHBondContact O-CG2 3.43Å; M185-V189 PolarHBondContact O-N 2.79Å
186N88.8Confident88.9Confident83 Ų8338.9 Ų38.944%0.44421%0.211SC..Hα-helixtrans-59.8-28.1177.2-68.8-22000112.6K182 E183 P190K182-N186 PolarHBondContact O-N 2.88Å; K182-N186 PolarHBondContact O-ND2 2.64Å; K182-N186 PolarHBondContact O-OD1 2.79Å; E183-N186 PolarHBondContact O-N 2.9Å; N186-P190 WeakPolarHBondContact O-CD 3.43Å
187L87.4Confident89Confident26 Ų2637.3 Ų37.314%0.13620%0.199CC..Hα-helixtrans-82.1-35.3174.5-63.9178000112.7I62 V77 V80 E183 V184 M185 P190 A191I62-L187 HydrophobicContact CD1-CB 4.23Å; I62-L187 HydrophobicContact CG1-CB 4.28Å; I62-L187 HydrophobicContact CG2-CB 3.8Å; I62-L187 HydrophobicContact CG2-CD1 3.78Å; I62-L187 HydrophobicContact CG2-CG 4.26Å; V77-L187 HydrophobicContact CG2-CD1 4.38Å; V77-L187 HydrophobicContact CG2-CD2 3.76Å; V80-L187 HydrophobicContact CB-CD1 4.22Å; V80-L187 HydrophobicContact CG1-CD1 3.98Å; E183-L187 WeakPolarHBondContact O-CG 3.3Å; E183-L187 PolarHBondContact O-N 2.69Å; E183-L187 VanDerWaalsContact O-N 3.15Å; V184-L187 PolarHBondContact O-N 3.38Å; M185-L187 PolarHBondContact O-N 3.2Å; L187-P190 WeakPolarHBondContact O-CD 3.23Å; L187-A191 WeakPolarHBondContact O-CB 3.45Å
188L87.1Confident89.1Confident1 Ų142 Ų421%0.00522%0.224CC..Hα-helixtrans-69.5-41.5177.9-78.2169.8000112.5L58 I62 L87 F131 M133 V184 M185 A191 L192L58-L188 HydrophobicContact CB-CD2 4.31Å; L58-L188 HydrophobicContact CD1-CD2 4.23Å; L58-L188 HydrophobicContact CD2-CD2 4.07Å; L58-L188 HydrophobicContact CG-CD2 4.44Å; I62-L188 HydrophobicContact CD1-CD2 3.62Å; I62-L188 HydrophobicContact CD1-CG 3.93Å; L87-L188 HydrophobicContact CD1-CD1 4.48Å; L87-L188 HydrophobicContact CD2-CD2 4.2Å; F131-L188 HydrophobicContact CD2-CD1 4.14Å; F131-L188 HydrophobicContact CE2-CD1 4.26Å; M133-L188 HydrophobicContact SD-CD1 4.44Å; V184-L188 HydrophobicContact CG1-CD1 4.01Å; V184-L188 HydrophobicContact CG1-CG 4.43Å; V184-L188 WeakPolarHBondContact O-CG 3.29Å; V184-L188 PolarHBondContact O-N 3.01Å; M185-L188 PolarHBondContact O-N 3.35Å; M185-L188 VanDerWaalsContact O-N 3.07Å; L188-A191 PolarHBondContact O-N 2.78Å; L188-A191 VanDerWaalsContact O-N 3.11Å; L188-L192 VanDerWaalsContact O-CB 3.3Å; L188-L192 WeakPolarHBondContact O-CB 3.48Å; L188-L192 PolarHBondContact O-N 3.02Å
189V88.8Confident89.3Confident67 Ų6743.7 Ų43.741%0.40623%0.23SC..Hα-helixtrans-51.6-51.9-176166.90000113.4L165 V167 M185 P193L165-V189 HydrophobicContact CD2-CB 4.37Å; L165-V189 HydrophobicContact CD2-CG1 4.11Å; L165-V189 WeakPolarHBondContact CD2-O 3.41Å; V167-V189 HydrophobicContact CB-CG2 4.38Å; V167-V189 HydrophobicContact CG2-CG2 4.01Å; M185-V189 WeakPolarHBondContact O-CG2 3.43Å; M185-V189 PolarHBondContact O-N 2.79Å; V189-P193 VanDerWaalsContact O-CD 3.25Å; V189-P193 WeakPolarHBondContact O-CD 3.48Å
190P86Confident89.4Confident54 Ų5441.5 Ų41.535%0.35121%0.212SC..Hα-helixtrans-78.1-18.7179.429.6-35.6000114.3A67 N186 L187A67-P190 HydrophobicContact CB-CB 4.03Å; A67-P190 HydrophobicContact CB-CG 3.81Å; N186-P190 WeakPolarHBondContact O-CD 3.43Å; L187-P190 WeakPolarHBondContact O-CD 3.23Å
191A85.6Confident89.7Confident9 Ų941.6 Ų41.67%0.07421%0.214CC..Hα-helixtrans-90.8-35.2-176.300000112.8T61 I62 L187 L188 N194 L195T61-A191 HydrophobicContact CG2-CB 4.44Å; I62-A191 HydrophobicContact CG1-CB 4.26Å; L187-A191 WeakPolarHBondContact O-CB 3.45Å; L188-A191 PolarHBondContact O-N 2.78Å; L188-A191 VanDerWaalsContact O-N 3.11Å; A191-N194 PolarHBondContact O-N 2.8Å; A191-L195 WeakPolarHBondContact O-CB 3.24Å; A191-L195 PolarHBondContact O-N 3.23Å
192L87.9Confident89.9Confident1 Ų145 Ų451%0.00524%0.236CC..Hα-helixtrans-61.3-44.6-170.9-171.165.2000113.5L56 L58 M116 M133 L165 L188 N194 L195 V196L56-L192 HydrophobicContact CD1-CD1 4.43Å; L58-L192 HydrophobicContact CD2-CD1 3.96Å; M116-L192 HydrophobicContact CE-CD1 4.4Å; M116-L192 HydrophobicContact CE-CD2 4.24Å; M133-L192 HydrophobicContact CB-CD2 4.17Å; M133-L192 HydrophobicContact CE-CD1 4.49Å; M133-L192 HydrophobicContact CE-CD2 4.4Å; M133-L192 HydrophobicContact CG-CD2 4.43Å; M133-L192 HydrophobicContact SD-CD2 3.83Å; L165-L192 HydrophobicContact CD1-CD2 3.64Å; L188-L192 VanDerWaalsContact O-CB 3.3Å; L188-L192 WeakPolarHBondContact O-CB 3.48Å; L188-L192 PolarHBondContact O-N 3.02Å; L192-N194 PolarHBondContact O-N 3.48Å; L192-L195 HydrophobicContact CD1-CD2 4.45Å; L192-L195 PolarHBondContact O-N 3.32Å; L192-V196 HydrophobicContact CD1-CG2 3.98Å; L192-V196 HydrophobicContact CG-CG2 4.13Å; L192-V196 WeakPolarHBondContact O-CB 3.27Å; L192-V196 WeakPolarHBondContact O-CG2 3.41Å; L192-V196 PolarHBondContact O-N 2.81Å
193P88.4Confident90.1Very high6 Ų639.3 Ų39.34%0.03921%0.212CC..Hα-helixtrans-59.7-46.3179.9-25.836.1000112.9T160 D162 L165 V189 L195 V196 K197T160-P193 HydrophobicContact CG2-CB 4.2Å; T160-P193 PolarHBondContact OG1-O 3Å; D162-P193 WeakPolarHBondContact OD1-CB 3.44Å; D162-P193 VanDerWaalsContact OD1-CG 3.22Å; D162-P193 WeakPolarHBondContact OD1-CG 3.17Å; L165-P193 HydrophobicContact CD2-CG 3.93Å; V189-P193 VanDerWaalsContact O-CD 3.25Å; V189-P193 WeakPolarHBondContact O-CD 3.48Å; P193-L195 VanDerWaalsContact C-N 3.32Å; P193-L195 PolarHBondContact O-N 2.79Å; P193-V196 PolarHBondContact O-N 2.84Å; P193-K197 VanDerWaalsContact O-CB 3.28Å; P193-K197 WeakPolarHBondContact O-CB 3.26Å; P193-K197 PolarHBondContact O-N 3.12Å
194N87.3Confident90.4Very high81 Ų8135.5 Ų35.543%0.43320%0.195SC..Hα-helixtrans-64.2-39177.6-75.1-40.6000112.1A191 L192 K197 N198A191-N194 PolarHBondContact O-N 2.8Å; L192-N194 PolarHBondContact O-N 3.48Å; N194-K197 PolarHBondContact O-N 2.88Å; N194-N198 WeakPolarHBondContact O-CB 3.49Å; N194-N198 PolarHBondContact O-N 3Å; N194-N198 PolarHBondContact O-ND2 2.96Å
195L89.3Confident90.7Very high7 Ų740 Ų404%0.03722%0.216CC..Hα-helixtrans-68.5-45-179.9-176.7147.6000111.6L56 P57 L58 T61 A191 L192 P193 N198 Q199L56-L195 HydrophobicContact CB-CD2 3.58Å; L56-L195 HydrophobicContact CD1-CD2 3.54Å; L56-L195 HydrophobicContact CD2-CD2 3.39Å; L56-L195 HydrophobicContact CG-CD2 3.58Å; P57-L195 HydrophobicContact CG-CD1 4.04Å; L58-L195 HydrophobicContact CD2-CD1 4.25Å; L58-L195 HydrophobicContact CD2-CD2 4.15Å; T61-L195 HydrophobicContact CG2-CB 4.45Å; T61-L195 HydrophobicContact CG2-CD1 3.89Å; T61-L195 WeakPolarHBondContact OG1-CD1 3.46Å; A191-L195 WeakPolarHBondContact O-CB 3.24Å; A191-L195 PolarHBondContact O-N 3.23Å; L192-L195 HydrophobicContact CD1-CD2 4.45Å; L192-L195 PolarHBondContact O-N 3.32Å; P193-L195 VanDerWaalsContact C-N 3.32Å; P193-L195 PolarHBondContact O-N 2.79Å; L195-N198 PolarHBondContact O-N 2.89Å; L195-Q199 WeakPolarHBondContact O-CB 3.46Å; L195-Q199 WeakPolarHBondContact O-CG 3.27Å; L195-Q199 PolarHBondContact O-N 2.83Å; L195-Q199 VanDerWaalsContact O-N 3.1Å
196V91.2Very high90.9Very high0 Ų040 Ų400%022%0.221CC..Hα-helixtrans-61.7-46.7173.7170.50000110L56 L114 M116 T135 T160 L192 P193 N198 Q199 L200L56-V196 HydrophobicContact CD1-CG2 4.16Å; L114-V196 HydrophobicContact CD1-CG1 3.53Å; M116-V196 HydrophobicContact CE-CG2 4.28Å; T135-V196 HydrophobicContact CG2-CG2 4.34Å; T160-V196 HydrophobicContact CG2-CB 4.29Å; T160-V196 HydrophobicContact CG2-CG1 4.12Å; L192-V196 HydrophobicContact CD1-CG2 3.98Å; L192-V196 HydrophobicContact CG-CG2 4.13Å; L192-V196 WeakPolarHBondContact O-CB 3.27Å; L192-V196 WeakPolarHBondContact O-CG2 3.41Å; L192-V196 PolarHBondContact O-N 2.81Å; P193-V196 PolarHBondContact O-N 2.84Å; V196-N198 PolarHBondContact O-N 2.96Å; V196-Q199 PolarHBondContact O-N 3.5Å; V196-L200 HydrophobicContact CG1-CB 4.31Å; V196-L200 HydrophobicContact CG1-CD2 4.23Å; V196-L200 WeakPolarHBondContact O-CA 3.23Å; V196-L200 WeakPolarHBondContact O-CB 3.38Å; V196-L200 PolarHBondContact O-N 2.87Å
197K91.5Very high91.3Very high85 Ų8536 Ų3637%0.3720%0.2SC..Hα-helixtrans-53.7-53.3175.7-178.8-176.1177.7174.70111.6C158 T160 P193 N194 Q199 C201C158-K197 WeakPolarHBondContact O-CE 3.39Å; T160-K197 PolarHBondContact OG1-N 3.37Å; P193-K197 VanDerWaalsContact O-CB 3.28Å; P193-K197 WeakPolarHBondContact O-CB 3.26Å; P193-K197 PolarHBondContact O-N 3.12Å; N194-K197 PolarHBondContact O-N 2.88Å; K197-Q199 VanDerWaalsContact C-N 3.31Å; K197-Q199 PolarHBondContact O-N 3.47Å; K197-C201 WeakPolarHBondContact O-CB 3.19Å; K197-C201 PolarHBondContact O-N 2.86Å; K197-C201 PolarHBondContact O-SG 3.32Å; K197-C201 VanDerWaalsContact O-SG 3.33Å
198N91.3Very high91.7Very high99 Ų9935 Ų3553%0.52919%0.194SC..Hα-helixtrans-65.7-32.4-174.7-70.4-19000113.3N194 L195 V196N194-N198 WeakPolarHBondContact O-CB 3.49Å; N194-N198 PolarHBondContact O-N 3Å; N194-N198 PolarHBondContact O-ND2 2.96Å; L195-N198 PolarHBondContact O-N 2.89Å; V196-N198 PolarHBondContact O-N 2.96Å
199Q92.3Very high92.1Very high83 Ų8338.3 Ų38.339%0.38821%0.212SC..Hα-helixtrans-90.4-37.8-178.2-64.2-62.6-26.700112.7I52 L56 L195 V196 K197 V203I52-Q199 HydrophobicContact CG2-CB 4Å; L56-Q199 HydrophobicContact CD2-CB 3.73Å; L56-Q199 HydrophobicContact CD2-CG 3.74Å; L195-Q199 WeakPolarHBondContact O-CB 3.46Å; L195-Q199 WeakPolarHBondContact O-CG 3.27Å; L195-Q199 PolarHBondContact O-N 2.83Å; L195-Q199 VanDerWaalsContact O-N 3.1Å; V196-Q199 PolarHBondContact O-N 3.5Å; K197-Q199 VanDerWaalsContact C-N 3.31Å; K197-Q199 PolarHBondContact O-N 3.47Å; Q199-V203 WeakPolarHBondContact O-CG2 3.47Å
200L93.2Very high92.3Very high2 Ų236 Ų361%0.0120%0.202CC..Hα-helixtrans-94.1-32.8-171.5-16766.3000113.1A49 L53 L114 A137 V196 V203 I204A49-L200 HydrophobicContact CB-CD1 3.99Å; L53-L200 HydrophobicContact CD2-CD1 4.49Å; L53-L200 HydrophobicContact CD2-CD2 4.41Å; L53-L200 HydrophobicContact CG-CD1 4.43Å; L114-L200 HydrophobicContact CD1-CD2 3.57Å; L114-L200 HydrophobicContact CD2-CD2 3.94Å; L114-L200 HydrophobicContact CG-CD2 4.37Å; A137-L200 HydrophobicContact CB-CD2 4Å; V196-L200 HydrophobicContact CG1-CB 4.31Å; V196-L200 HydrophobicContact CG1-CD2 4.23Å; V196-L200 WeakPolarHBondContact O-CA 3.23Å; V196-L200 WeakPolarHBondContact O-CB 3.38Å; V196-L200 PolarHBondContact O-N 2.87Å; L200-V203 HydrophobicContact CD1-CB 4.42Å; L200-V203 WeakPolarHBondContact O-CA 3.07Å; L200-V203 WeakPolarHBondContact O-CB 3.42Å; L200-V203 PolarHBondContact O-N 3.02Å; L200-I204 HydrophobicContact CB-CD1 4.47Å; L200-I204 HydrophobicContact CD2-CD1 4Å; L200-I204 HydrophobicContact CG-CD1 3.75Å; L200-I204 HydrophobicContact CG-CG1 4Å; L200-I204 WeakPolarHBondContact O-CG1 3.45Å; L200-I204 PolarHBondContact O-N 3.26Å
201C94.9Very high92.7Very high16 Ų1633.6 Ų33.611%0.10819%0.186CC..Hα-helixtrans-59.3-42.8-178.5-72.40000114.4C158 K197 V203 I204 E205C158-C201 VanDerWaalsContact C-SG 3.53Å; C158-C201 HydrophobicContact CB-CB 3.6Å; C158-C201 WeakPolarHBondContact CB-SG 3.25Å; C158-C201 PolarHBondContact O-SG 2.86Å; C158-C201 WeakPolarHBondContact SG-CA 3.32Å; C158-C201 WeakPolarHBondContact SG-CB 3.35Å; C158-C201 CovalentContact SG-SG 2.04Å; C158-C201 PolarHBondContact SG-SG 2.79Å; K197-C201 WeakPolarHBondContact O-CB 3.19Å; K197-C201 PolarHBondContact O-N 2.86Å; K197-C201 PolarHBondContact O-SG 3.32Å; K197-C201 VanDerWaalsContact O-SG 3.33Å; C201-V203 PolarHBondContact O-N 3.31Å; C201-I204 PolarHBondContact O-N 2.87Å; C201-E205 PolarHBondContact O-N 2.95Å
202P95.3Very high93Very high73 Ų7334.2 Ų34.247%0.47419%0.186SC..Hα-helixtrans-60.1-34.4173.8-24.335000112.8A206P202-A206 WeakPolarHBondContact O-CB 3.34Å; P202-A206 PolarHBondContact O-N 2.91Å
203V96.1Very high93.2Very high13 Ų1336.2 Ų36.28%0.07920%0.203CC..Hα-helixtrans-70.9-41.8177.8-175.80000110.8L44 H47 A49 I52 Q199 L200 C201 E205 A206 S207L44-V203 HydrophobicContact CD2-CG1 4.48Å; H47-V203 HydrophobicContact CB-CG1 3.77Å; A49-V203 HydrophobicContact CB-CG1 3.84Å; I52-V203 HydrophobicContact CD1-CB 4.49Å; I52-V203 HydrophobicContact CD1-CG1 4.36Å; I52-V203 HydrophobicContact CD1-CG2 3.32Å; Q199-V203 WeakPolarHBondContact O-CG2 3.47Å; L200-V203 HydrophobicContact CD1-CB 4.42Å; L200-V203 WeakPolarHBondContact O-CA 3.07Å; L200-V203 WeakPolarHBondContact O-CB 3.42Å; L200-V203 PolarHBondContact O-N 3.02Å; C201-V203 PolarHBondContact O-N 3.31Å; V203-E205 VanDerWaalsContact C-N 3.34Å; V203-A206 PolarHBondContact O-N 3.08Å; V203-S207 VanDerWaalsContact O-CB 3.23Å; V203-S207 WeakPolarHBondContact O-CB 3.08Å; V203-S207 PolarHBondContact O-N 3.22Å; V203-S207 PolarHBondContact O-OG 3.19Å
204I96.1Very high93.4Very high2 Ų238.8 Ų38.81%0.0122%0.217CC..Hα-helixtrans-63.2-42.9176-63.5161000110.1L44 I112 A137 A139 L155 L200 C201 S207 F208L44-I204 HydrophobicContact CD2-CG1 4.02Å; I112-I204 HydrophobicContact CD1-CB 4.5Å; I112-I204 HydrophobicContact CD1-CD1 3.6Å; I112-I204 HydrophobicContact CD1-CG1 3.68Å; I112-I204 HydrophobicContact CD1-CG2 3.91Å; A137-I204 HydrophobicContact CB-CD1 4.1Å; A139-I204 HydrophobicContact CB-CG2 3.93Å; L155-I204 HydrophobicContact CD1-CB 4.44Å; L155-I204 HydrophobicContact CD1-CG2 3.62Å; L200-I204 HydrophobicContact CB-CD1 4.47Å; L200-I204 HydrophobicContact CD2-CD1 4Å; L200-I204 HydrophobicContact CG-CD1 3.75Å; L200-I204 HydrophobicContact CG-CG1 4Å; L200-I204 WeakPolarHBondContact O-CG1 3.45Å; L200-I204 PolarHBondContact O-N 3.26Å; C201-I204 PolarHBondContact O-N 2.87Å; I204-S207 PolarHBondContact O-N 3.14Å; I204-F208 WeakPolarHBondContact O-CB 3.3Å; I204-F208 PolarHBondContact O-N 3.23Å
205E95.6Very high93.5Very high96 Ų9635.2 Ų35.245%0.44920%0.197SC..Hα-helixtrans-62.2-48.7176.1-174.7179.6179.200111.9L155 C201 V203 S207 F208 N209L155-E205 HydrophobicContact CD1-CB 4.44Å; C201-E205 PolarHBondContact O-N 2.95Å; V203-E205 VanDerWaalsContact C-N 3.34Å; E205-S207 VanDerWaalsContact C-N 3.33Å; E205-S207 PolarHBondContact O-N 3.05Å; E205-F208 PolarHBondContact O-N 3.08Å; E205-N209 WeakPolarHBondContact O-CB 3.49Å; E205-N209 VanDerWaalsContact O-CG 3.29Å; E205-N209 PolarHBondContact O-N 3.11Å; E205-N209 PolarHBondContact O-ND2 3.1Å
206A95.8Very high93.5Very high35 Ų3536.6 Ų36.629%0.28921%0.205SC..Hα-helixtrans-59.4-44.3175.600000111.9P202 V203 F208 N209 G210P202-A206 WeakPolarHBondContact O-CB 3.34Å; P202-A206 PolarHBondContact O-N 2.91Å; V203-A206 PolarHBondContact O-N 3.08Å; A206-F208 PolarHBondContact O-N 3.38Å; A206-N209 PolarHBondContact O-N 3.41Å; A206-G210 PolarHBondContact O-N 2.94Å
207S96.4Very high93.5Very high0 Ų042.8 Ų42.80%023%0.233CC..Hα-helixtrans-64.5-39.9178.8-58.90000112.2E43 L44 V203 I204 E205 M211E43-S207 WeakPolarHBondContact CB-O 3.46Å; E43-S207 WeakPolarHBondContact CG-O 3.36Å; E43-S207 PolarHBondContact O-OG 3.29Å; L44-S207 WeakPolarHBondContact CA-OG 3.47Å; L44-S207 PolarHBondContact N-OG 2.98Å; V203-S207 VanDerWaalsContact O-CB 3.23Å; V203-S207 WeakPolarHBondContact O-CB 3.08Å; V203-S207 PolarHBondContact O-N 3.22Å; V203-S207 PolarHBondContact O-OG 3.19Å; I204-S207 PolarHBondContact O-N 3.14Å; E205-S207 VanDerWaalsContact C-N 3.33Å; E205-S207 PolarHBondContact O-N 3.05Å; S207-M211 WeakPolarHBondContact O-CB 3.04Å; S207-M211 PolarHBondContact O-N 2.77Å
208F95.7Very high93.2Very high6 Ų640 Ų403%0.02622%0.223CC..Hα-helixtrans-66-43.9175.5179.5-95.3000111.5L40 V141 L153 L155 I204 E205 A206 G210 M211 Y212L40-F208 HydrophobicContact CD1-CB 4.44Å; V141-F208 HydrophobicContact CB-CE2 4.29Å; V141-F208 HydrophobicContact CB-CZ 4.33Å; V141-F208 HydrophobicContact CG1-CE1 4.2Å; V141-F208 HydrophobicContact CG1-CE2 3.71Å; V141-F208 HydrophobicContact CG1-CZ 3.36Å; V141-F208 HydrophobicContact CG2-CD2 3.93Å; V141-F208 HydrophobicContact CG2-CE2 3.54Å; V141-F208 HydrophobicContact CG2-CZ 3.97Å; L153-F208 HydrophobicContact CB-CE1 4.26Å; L153-F208 HydrophobicContact CB-CZ 3.94Å; L155-F208 HydrophobicContact CB-CD1 4.23Å; I204-F208 WeakPolarHBondContact O-CB 3.3Å; I204-F208 PolarHBondContact O-N 3.23Å; E205-F208 PolarHBondContact O-N 3.08Å; A206-F208 PolarHBondContact O-N 3.38Å; F208-G210 VanDerWaalsContact C-N 3.35Å; F208-M211 HydrophobicContact CD2-CE 3.62Å; F208-M211 HydrophobicContact CE2-CE 3.58Å; F208-M211 PolarHBondContact O-N 2.54Å; F208-Y212 WeakPolarHBondContact O-CB 3.48Å; F208-Y212 PolarHBondContact O-N 2.76Å
209N94.6Very high93Very high70 Ų7035.6 Ų35.637%0.37420%0.199SC..Hα-helixtrans-63.6-40.6177.4-72.5-27.7000111.7E205 A206 Y212 A213E205-N209 WeakPolarHBondContact O-CB 3.49Å; E205-N209 VanDerWaalsContact O-CG 3.29Å; E205-N209 PolarHBondContact O-N 3.11Å; E205-N209 PolarHBondContact O-ND2 3.1Å; A206-N209 PolarHBondContact O-N 3.41Å; N209-Y212 PolarHBondContact O-N 3Å; N209-A213 WeakPolarHBondContact O-CB 3.33Å; N209-A213 PolarHBondContact O-N 3.12Å
210G94.1Very high92.7Very high18 Ų1837.3 Ų37.319%0.18621%0.205CC..Hα-helixtrans-58.8-53.5172.400000111.7A206 F208 Y212 A213 D214A206-G210 PolarHBondContact O-N 2.94Å; F208-G210 VanDerWaalsContact C-N 3.35Å; G210-Y212 VanDerWaalsContact C-N 3.31Å; G210-Y212 PolarHBondContact O-N 3.42Å; G210-A213 PolarHBondContact O-N 3.4Å; G210-D214 PolarHBondContact O-N 3.47Å
211M94.3Very high92.4Very high4 Ų440.4 Ų40.42%0.0222%0.224CC..Hα-helixtrans-54.9-46.6176.4176.9-173.774.900111.9I36 K39 L40 E43 S207 F208 D214 L215I36-M211 HydrophobicContact CG2-CE 4.47Å; K39-M211 HydrophobicContact CB-CG 3.86Å; K39-M211 HydrophobicContact CB-SD 3.9Å; L40-M211 HydrophobicContact CB-SD 3.88Å; E43-M211 HydrophobicContact CG-CB 3.97Å; S207-M211 WeakPolarHBondContact O-CB 3.04Å; S207-M211 PolarHBondContact O-N 2.77Å; F208-M211 HydrophobicContact CD2-CE 3.62Å; F208-M211 HydrophobicContact CE2-CE 3.58Å; F208-M211 PolarHBondContact O-N 2.54Å; M211-D214 PolarHBondContact O-N 3.42Å; M211-L215 HydrophobicContact CG-CD1 4.24Å; M211-L215 VanDerWaalsContact O-CG 3.28Å; M211-L215 WeakPolarHBondContact O-CG 3.04Å; M211-L215 PolarHBondContact O-N 3.28Å
212Y92.6Very high92Very high21 Ų2142.2 Ų42.28%0.08224%0.236CC..Hα-helixtrans-66.6-42.6-178.6-177.2-126.7000111.5R152 L153 F208 N209 G210 D214 L215 L216 L246R152-Y212 HydrophobicContact CB-CE1 4.27Å; L153-Y212 HydrophobicContact CB-CD2 4.34Å; L153-Y212 HydrophobicContact CB-CE2 4.17Å; L153-Y212 HydrophobicContact CD1-CD2 3.96Å; L153-Y212 HydrophobicContact CD1-CE2 3.73Å; L153-Y212 HydrophobicContact CG-CE2 4.21Å; F208-Y212 WeakPolarHBondContact O-CB 3.48Å; F208-Y212 PolarHBondContact O-N 2.76Å; N209-Y212 PolarHBondContact O-N 3Å; G210-Y212 VanDerWaalsContact C-N 3.31Å; G210-Y212 PolarHBondContact O-N 3.42Å; Y212-D214 VanDerWaalsContact C-N 3.34Å; Y212-D214 PolarHBondContact O-N 2.96Å; Y212-L215 PolarHBondContact O-N 3.01Å; Y212-L216 HydrophobicContact CD1-CD1 4.3Å; Y212-L216 HydrophobicContact CD2-CG 4.43Å; Y212-L216 HydrophobicContact CE1-CD1 3.83Å; Y212-L216 HydrophobicContact CE1-CG 4.4Å; Y212-L216 HydrophobicContact CE2-CD1 4.38Å; Y212-L216 HydrophobicContact CE2-CD2 3.92Å; Y212-L216 HydrophobicContact CE2-CG 4.1Å; Y212-L216 WeakPolarHBondContact O-CG 3.4Å; Y212-L216 PolarHBondContact O-N 3.29Å; Y212-L246 HydrophobicContact CE2-CD2 4.44Å
213A92.2Very high91.8Very high44 Ų4439.9 Ų39.936%0.36422%0.219SC..Hα-helixtrans-59.6-44.3175.500000111.8N209 G210 L215 L216 Q217N209-A213 WeakPolarHBondContact O-CB 3.33Å; N209-A213 PolarHBondContact O-N 3.12Å; G210-A213 PolarHBondContact O-N 3.4Å; A213-L215 PolarHBondContact O-N 3.35Å; A213-L216 PolarHBondContact O-N 2.94Å; A213-Q217 WeakPolarHBondContact O-CG 3.02Å; A213-Q217 PolarHBondContact O-N 2.93Å
214D91.3Very high91.5Very high60 Ų6042.1 Ų42.132%0.32124%0.236SC..Hα-helixtrans-57-50.7174.8-83.28.5000111G210 M211 Y212 L216 Q217 L218G210-D214 PolarHBondContact O-N 3.47Å; M211-D214 PolarHBondContact O-N 3.42Å; Y212-D214 VanDerWaalsContact C-N 3.34Å; Y212-D214 PolarHBondContact O-N 2.96Å; D214-L216 VanDerWaalsContact C-N 3.26Å; D214-L216 PolarHBondContact O-N 3.06Å; D214-Q217 WeakPolarHBondContact O-CA 3.22Å; D214-Q217 WeakPolarHBondContact O-CB 3.5Å; D214-Q217 PolarHBondContact O-N 3.44Å; D214-L218 VanDerWaalsContact O-CG 3.27Å; D214-L218 WeakPolarHBondContact O-CG 3.42Å; D214-L218 PolarHBondContact O-N 3.2Å
215L90.1Very high91.2Very high6 Ų642.2 Ų42.23%0.03124%0.236CC..Hα-helixtrans-56.6-39177.5-70172.5000112.5L31 M211 Y212 A213 L218 V219 L454L31-L215 HydrophobicContact CD1-CD1 3.51Å; L31-L215 HydrophobicContact CD1-CD2 3.63Å; L31-L215 HydrophobicContact CD1-CG 4.15Å; L31-L215 HydrophobicContact CD2-CD2 4.44Å; M211-L215 HydrophobicContact CG-CD1 4.24Å; M211-L215 VanDerWaalsContact O-CG 3.28Å; M211-L215 WeakPolarHBondContact O-CG 3.04Å; M211-L215 PolarHBondContact O-N 3.28Å; Y212-L215 PolarHBondContact O-N 3.01Å; A213-L215 PolarHBondContact O-N 3.35Å; L215-L218 HydrophobicContact CD2-CD1 4.27Å; L215-L218 PolarHBondContact O-N 3.04Å; L215-V219 PolarHBondContact O-N 3.27Å; L215-L454 HydrophobicContact CD2-CD2 3.96Å
216L89.4Confident90.7Very high36 Ų3642 Ų4219%0.18825%0.245CC..Hα-helixtrans-69.4-33.4175.8-65.4-173.9000112.9Y212 A213 D214 V219 K220 L234Y212-L216 HydrophobicContact CD1-CD1 4.3Å; Y212-L216 HydrophobicContact CD2-CG 4.43Å; Y212-L216 HydrophobicContact CE1-CD1 3.83Å; Y212-L216 HydrophobicContact CE1-CG 4.4Å; Y212-L216 HydrophobicContact CE2-CD1 4.38Å; Y212-L216 HydrophobicContact CE2-CD2 3.92Å; Y212-L216 HydrophobicContact CE2-CG 4.1Å; Y212-L216 WeakPolarHBondContact O-CG 3.4Å; Y212-L216 PolarHBondContact O-N 3.29Å; A213-L216 PolarHBondContact O-N 2.94Å; D214-L216 VanDerWaalsContact C-N 3.26Å; D214-L216 PolarHBondContact O-N 3.06Å; L216-V219 VanDerWaalsContact O-CG2 3.3Å; L216-V219 WeakPolarHBondContact O-CG2 3.43Å; L216-K220 WeakPolarHBondContact O-CG 3.4Å; L216-L234 HydrophobicContact CD2-CD1 4.39Å; L216-L234 HydrophobicContact CD2-CD2 3.69Å; L216-L234 HydrophobicContact CD2-CG 4.42Å
217Q90.2Very high90.2Very high129 Ų12944.4 Ų44.460%0.60326%0.256SS*.Hα-helixtrans-68.6-37.5173.5-70.3-177.35.600111.2A213 D214 V219 K220A213-Q217 WeakPolarHBondContact O-CG 3.02Å; A213-Q217 PolarHBondContact O-N 2.93Å; D214-Q217 WeakPolarHBondContact O-CA 3.22Å; D214-Q217 WeakPolarHBondContact O-CB 3.5Å; D214-Q217 PolarHBondContact O-N 3.44Å; Q217-V219 VanDerWaalsContact C-N 3.3Å; Q217-V219 PolarHBondContact O-N 3.46Å; Q217-K220 PolarHBondContact O-N 3.3Å; Q217-K220 VanDerWaalsContact O-N 3.12Å
218L86.9Confident89.9Confident28 Ų2845.9 Ų45.915%0.14726%0.264CS..Hα-helixtrans-57.3-43.3-179.8-59.8-167.5000112.6D214 L215 K220 A453 L454D214-L218 VanDerWaalsContact O-CG 3.27Å; D214-L218 WeakPolarHBondContact O-CG 3.42Å; D214-L218 PolarHBondContact O-N 3.2Å; L215-L218 HydrophobicContact CD2-CD1 4.27Å; L215-L218 PolarHBondContact O-N 3.04Å; L218-K220 VanDerWaalsContact C-N 3.3Å; L218-K220 PolarHBondContact O-N 3.49Å; L218-A453 HydrophobicContact CD1-CB 3.72Å; L218-A453 HydrophobicContact CD2-CB 3.34Å; L218-A453 HydrophobicContact CG-CB 4.08Å; L218-L454 HydrophobicContact CD1-CD2 3.84Å; L218-L454 HydrophobicContact CD1-CG 4.31Å
219V85.9Confident89.8Confident5 Ų551.6 Ų51.63%0.0329%0.286CS..Hα-helixtrans-76.5-17.6-177.7-61.30000113.1L29 L215 L216 Q217 F232 L246 L248L29-V219 HydrophobicContact CD2-CG1 3.81Å; L215-V219 PolarHBondContact O-N 3.27Å; L216-V219 VanDerWaalsContact O-CG2 3.3Å; L216-V219 WeakPolarHBondContact O-CG2 3.43Å; Q217-V219 VanDerWaalsContact C-N 3.3Å; Q217-V219 PolarHBondContact O-N 3.46Å; V219-F232 WeakPolarHBondContact O-CB 3.32Å; V219-L246 HydrophobicContact CG1-CD1 4.29Å; V219-L248 HydrophobicContact CB-CD1 4Å; V219-L248 HydrophobicContact CB-CD2 4.13Å; V219-L248 HydrophobicContact CG1-CD1 3.87Å; V219-L248 HydrophobicContact CG1-CD2 4.25Å; V219-L248 HydrophobicContact CG2-CD2 4.11Å
220K85.9Confident89.8Confident119 Ų11948.9 Ų48.952%0.51727%0.271SS..Hα-helixtrans-88.6-6.5-178.4-73.5178.6179.4-176.20114.2L216 Q217 L218 P222L216-K220 WeakPolarHBondContact O-CG 3.4Å; Q217-K220 PolarHBondContact O-N 3.3Å; Q217-K220 VanDerWaalsContact O-N 3.12Å; L218-K220 VanDerWaalsContact C-N 3.3Å; L218-K220 PolarHBondContact O-N 3.49Å; K220-P222 WeakPolarHBondContact O-CD 3.41Å
221V86.6Confident89.8Confident67 Ų6750.8 Ų50.841%0.40628%0.275SS..SBendtrans-68.5121179.2-179.20000108.9I223V221-I223 PolarHBondContact O-N 3.26Å
222P87.8Confident89.6Confident55 Ų5550.9 Ų50.936%0.35728%0.275SS..PPolyproline II helixtrans-65.5135.8-179.925.9-33.5000110.5K220 E231K220-P222 WeakPolarHBondContact O-CD 3.41Å; P222-E231 HydrophobicContact CB-CG 3.79Å
223I90.6Very high89.5Confident23 Ų2352.3 Ų52.312%0.11828%0.284CS..EExtended strand (participates in β ladder)trans-93123.1175.6-61.7-172.7000108.4V221 L225 R229 L230 F232 V446V221-I223 PolarHBondContact O-N 3.26Å; I223-L225 HydrophobicContact CG2-CD2 4.28Å; I223-R229 CarbonylContact O-C 3.13Å; I223-R229 VanDerWaalsContact O-CA 3.31Å; I223-R229 WeakPolarHBondContact O-CA 3.39Å; I223-L230 HydrophobicContact CB-CB 4.21Å; I223-L230 PolarHBondContact N-O 2.88Å; I223-L230 PolarHBondContact O-N 3.43Å; I223-F232 HydrophobicContact CD1-CD2 4.44Å; I223-F232 HydrophobicContact CD1-CE2 3.76Å; I223-V446 HydrophobicContact CG2-CG1 3.03Å
224S89.8Confident89.4Confident61 Ų6152.6 Ų52.643%0.42728%0.28SS..EExtended strand (participates in β ladder)trans-80.9130.9178.3-600000111
225L89.5Confident89.2Confident3 Ų353.3 Ų53.32%0.01628%0.283CS..EExtended strand (participates in β ladder)trans-123.475.4179.1-61180000108.8I223 T227 D228 L230 L252 A292 A295 M296 V446I223-L225 HydrophobicContact CG2-CD2 4.28Å; L225-T227 PolarHBondContact O-N 2.91Å; L225-T227 VanDerWaalsContact O-N 3.11Å; L225-D228 HydrophobicContact CB-CB 4.45Å; L225-D228 PolarHBondContact N-O 3.01Å; L225-D228 PolarHBondContact O-N 3.19Å; L225-L230 HydrophobicContact CD1-CB 3.78Å; L225-L230 HydrophobicContact CG-CB 4.27Å; L225-L252 HydrophobicContact CD1-CD1 3.8Å; L225-A292 HydrophobicContact CD1-CB 3.66Å; L225-A292 HydrophobicContact CD2-CB 4.27Å; L225-A295 HydrophobicContact CB-CB 4.38Å; L225-A295 HydrophobicContact CD1-CB 4.31Å; L225-M296 HydrophobicContact CB-CG 4.1Å; L225-M296 HydrophobicContact CD2-CG 4.11Å; L225-M296 HydrophobicContact CD2-SD 4.07Å; L225-V446 HydrophobicContact CD2-CG1 4.05Å; L225-V446 HydrophobicContact CD2-CG2 3.77Å
226S84.2Confident89Confident92 Ų9254.9 Ų54.964%0.64329%0.294SS*.THydrogen-bonded Turntrans60.2-107.7-169.4-172.50000111.4
227T85.2Confident89.1Confident86 Ų8653.3 Ų53.353%0.52829%0.286SS..THydrogen-bonded Turntrans-87.4-20.6176.653.60000113.5L225 S255L225-T227 PolarHBondContact O-N 2.91Å; L225-T227 VanDerWaalsContact O-N 3.11Å; T227-S255 WeakPolarHBondContact O-CA 3.45Å
228D91.6Very high89.1Confident30 Ų3048.2 Ų48.216%0.1627%0.266CS..EExtended strand (participates in β ladder)trans-96.5169.5-174.7-72.911.3000110.5L225 L252 L253 A295L225-D228 HydrophobicContact CB-CB 4.45Å; L225-D228 PolarHBondContact N-O 3.01Å; L225-D228 PolarHBondContact O-N 3.19Å; D228-L252 HydrophobicContact CB-CD1 4.41Å; D228-L253 CarbonylContact C-O 3.52Å; D228-L253 WeakPolarHBondContact CA-O 3.39Å; D228-L253 WeakPolarHBondContact CB-O 3.2Å; D228-A295 HydrophobicContact CB-CB 4.06Å
229R93.2Very high89.2Confident127 Ų12747.7 Ų47.748%0.47926%0.263SS..EExtended strand (participates in β ladder)trans-135.3139.9-179-57.9-179.5-173.2-175.91.6111.1I223 L252 L253I223-R229 CarbonylContact O-C 3.13Å; I223-R229 VanDerWaalsContact O-CA 3.31Å; I223-R229 WeakPolarHBondContact O-CA 3.39Å; R229-L252 WeakPolarHBondContact O-CA 3.23Å; R229-L253 HydrophobicContact CB-CB 4.49Å; R229-L253 PolarHBondContact N-O 2.83Å; R229-L253 PolarHBondContact O-N 2.87Å
230L94Very high89.3Confident12 Ų1253.5 Ų53.56%0.06329%0.288CS..EExtended strand (participates in β ladder)trans-108.6121.1172.7179.769.6000108.9I223 L225 F232 A250 K251 V288I223-L230 HydrophobicContact CB-CB 4.21Å; I223-L230 PolarHBondContact N-O 2.88Å; I223-L230 PolarHBondContact O-N 3.43Å; L225-L230 HydrophobicContact CD1-CB 3.78Å; L225-L230 HydrophobicContact CG-CB 4.27Å; L230-F232 HydrophobicContact CD2-CE2 3.94Å; L230-F232 HydrophobicContact CD2-CZ 3.74Å; L230-F232 HydrophobicContact CG-CE2 4.14Å; L230-F232 HydrophobicContact CG-CZ 4.16Å; L230-A250 HydrophobicContact CD1-CB 4.12Å; L230-K251 WeakPolarHBondContact CA-O 3.43Å; L230-V288 HydrophobicContact CD1-CG1 3.91Å; L230-V288 HydrophobicContact CD2-CG1 3.88Å
231E93.6Very high89.4Confident58 Ų5848.7 Ų48.727%0.27127%0.272SS..EExtended strand (participates in β ladder)trans-114.3143.4178.1-73.7177.1-174.100110.3P222 A250 K251 L253P222-E231 HydrophobicContact CB-CG 3.79Å; E231-A250 CarbonylContact O-C 3.58Å; E231-A250 VanDerWaalsContact O-CA 3.31Å; E231-A250 WeakPolarHBondContact O-CA 3.35Å; E231-K251 HydrophobicContact CB-CB 4.48Å; E231-K251 PolarHBondContact N-O 3.02Å; E231-K251 PolarHBondContact O-N 2.88Å; E231-L253 HydrophobicContact CB-CD1 3.91Å; E231-L253 HydrophobicContact CG-CD1 3.77Å
232F91.9Very high89.5Confident7 Ų748.3 Ų48.33%0.03127%0.268CS..EExtended strand (participates in β ladder)trans-113.4140172.6-63.2-83.7000111.3A27 V219 I223 L230 L248 G249 A250 F282 V284A27-F232 HydrophobicContact CB-CD1 3.94Å; A27-F232 HydrophobicContact CB-CE1 3.53Å; A27-F232 HydrophobicContact CB-CZ 4.38Å; V219-F232 WeakPolarHBondContact O-CB 3.32Å; I223-F232 HydrophobicContact CD1-CD2 4.44Å; I223-F232 HydrophobicContact CD1-CE2 3.76Å; L230-F232 HydrophobicContact CD2-CE2 3.94Å; L230-F232 HydrophobicContact CD2-CZ 3.74Å; L230-F232 HydrophobicContact CG-CE2 4.14Å; L230-F232 HydrophobicContact CG-CZ 4.16Å; F232-L248 HydrophobicContact CB-CB 4.3Å; F232-L248 HydrophobicContact CB-CD1 4.09Å; F232-L248 HydrophobicContact CD1-CB 4.18Å; F232-L248 HydrophobicContact CD1-CD1 4.41Å; F232-L248 HydrophobicContact CG-CD1 4.33Å; F232-G249 VanDerWaalsContact CA-O 3.24Å; F232-G249 WeakPolarHBondContact CA-O 3.08Å; F232-A250 HydrophobicContact CD1-CB 3.81Å; F232-A250 HydrophobicContact CE1-CB 3.71Å; F232-F282 HydrophobicContact CD2-CZ 4.39Å; F232-F282 HydrophobicContact CE1-CZ 4.33Å; F232-F282 HydrophobicContact CE2-CE1 4.43Å; F232-F282 AromaticContact CE2-CZ 3.96Å; F232-F282 HydrophobicContact CE2-CZ 3.96Å; F232-F282 AromaticContact CZ-CZ 3.92Å; F232-F282 HydrophobicContact CZ-CZ 3.92Å; F232-V284 HydrophobicContact CZ-CG1 4.44Å; F232-V284 HydrophobicContact CZ-CG2 4.23Å
233D89.5Confident89.7Confident51 Ų5146.1 Ų46.127%0.27325%0.254SS..EExtended strand (participates in β ladder)trans-119.7139.9175.2-72.4-54.8000110.1L235 L248 G249 K251D233-L235 PolarHBondContact O-N 3.2Å; D233-L248 CarbonylContact O-C 3.58Å; D233-L248 VanDerWaalsContact O-CA 3.23Å; D233-L248 WeakPolarHBondContact O-CA 3.47Å; D233-G249 PolarHBondContact N-O 2.89Å; D233-G249 PolarHBondContact O-N 2.87Å; D233-K251 WeakPolarHBondContact OD2-CD 3.35Å; D233-K251 WeakPolarHBondContact OD2-CE 3.28Å; D233-K251 IonicContact OD2-NZ 3.02Å; D233-K251 PolarHBondContact OD2-NZ 3.03Å
234L89.2Confident89.7Confident50 Ų5045.1 Ų45.126%0.26225%0.249SC..EExtended strand (participates in β ladder)trans-66.6120.6172.1-17776.3000109.8L216 L246 L248L216-L234 HydrophobicContact CD2-CD1 4.39Å; L216-L234 HydrophobicContact CD2-CD2 3.69Å; L216-L234 HydrophobicContact CD2-CG 4.42Å; L234-L246 HydrophobicContact CD1-CB 3.99Å; L234-L246 HydrophobicContact CD1-CD2 4.06Å; L234-L248 HydrophobicContact CB-CD2 4.47Å; L234-L248 HydrophobicContact CD1-CD2 4.1Å
235L87.6Confident89.8Confident74 Ų7442.5 Ų42.539%0.38723%0.23SC..EExtended strand (participates in β ladder)trans-86-53168.7-59.6175000109.8D233 Y247 G249D233-L235 PolarHBondContact O-N 3.2Å; L235-Y247 WeakPolarHBondContact CB-O 3.38Å; L235-Y247 PolarHBondContact N-O 3.17Å; L235-G249 VanDerWaalsContact CG-N 3.33Å
236S87.3Confident89.9Confident39 Ų3942.4 Ų42.427%0.27323%0.229SC..EExtended strand (participates in β ladder)trans-160.6146.7177.5550000111.2Y247S236-Y247 PolarHBondContact N-O 3.36Å; S236-Y247 WeakPolarHBondContact O-CB 3.45Å; S236-Y247 PolarHBondContact O-N 2.82Å; S236-Y247 WeakPolarHBondContact OG-CD2 3.5Å
237P90.8Very high90.2Very high4 Ų440.6 Ų40.63%0.02621%0.209CC..EExtended strand (participates in β ladder)trans-82167.2161.625.9-16.7000110.4M143 T151 L153 Q245 L246M143-P237 VanDerWaalsContact CE-C 3.44Å; M143-P237 HydrophobicContact CE-CB 4.18Å; M143-P237 HydrophobicContact CE-CG 3.84Å; M143-P237 WeakPolarHBondContact CE-O 3.12Å; M143-P237 HydrophobicContact SD-CB 4.27Å; M143-P237 HydrophobicContact SD-CG 4.24Å; T151-P237 WeakPolarHBondContact O-CD 3.3Å; T151-P237 WeakPolarHBondContact O-CG 3.48Å; L153-P237 HydrophobicContact CD1-CB 4.21Å; L153-P237 HydrophobicContact CG-CB 3.96Å; L153-P237 HydrophobicContact CG-CG 4.34Å; P237-Q245 CarbonylContact C-O 3.5Å; P237-Q245 VanDerWaalsContact CA-O 3.25Å; P237-Q245 WeakPolarHBondContact CA-O 3.41Å; P237-L246 HydrophobicContact CB-CD2 3.99Å
238A89.4Confident90.5Very high21 Ų2136.5 Ų36.517%0.17418%0.184CC..EExtended strand (participates in β ladder)trans-153.9158.6165.700000110.9Q245 Y247A238-Q245 HydrophobicContact CB-CB 4.38Å; A238-Q245 PolarHBondContact N-O 3.03Å; A238-Q245 PolarHBondContact O-N 2.85Å; A238-Y247 HydrophobicContact CB-CD2 4.3Å; A238-Y247 HydrophobicContact CB-CE2 3.53Å
239I89.6Confident90.5Very high17 Ų1735.1 Ų35.19%0.08718%0.176CC..EExtended strand (participates in β ladder)trans-110.4131.8168.3-64.9168.7000107L108 V141 L153 T243L108-I239 HydrophobicContact CD1-CD1 4.32Å; L108-I239 HydrophobicContact CD1-CG1 4.22Å; L108-I239 HydrophobicContact CD1-CG2 4.4Å; L108-I239 HydrophobicContact CD2-CG2 3.88Å; L108-I239 HydrophobicContact CG-CD1 4.11Å; L108-I239 HydrophobicContact CG-CG1 4.26Å; L108-I239 HydrophobicContact CG-CG2 3.75Å; V141-I239 HydrophobicContact CG1-CD1 4.37Å; L153-I239 HydrophobicContact CD2-CD1 3.77Å; L153-I239 HydrophobicContact CD2-CG1 3.74Å; I239-T243 WeakPolarHBondContact CA-O 3.22Å
240K87.4Confident90.5Very high127 Ų12729 Ų2955%0.55215%0.153SC*.EExtended strand (participates in β ladder)trans-137.5108173.7-171.4-180-177-178.30108.7D242 T243K240-D242 PolarHBondContact O-N 2.78Å; K240-T243 PolarHBondContact N-O 3.16Å; K240-T243 VanDerWaalsContact N-O 3.14Å; K240-T243 PolarHBondContact O-N 3.28Å; K240-T243 VanDerWaalsContact O-N 3.17Å; K240-T243 PolarHBondContact O-OG1 2.78Å
241G87.9Confident90.5Very high18 Ų1830.7 Ų30.719%0.18616%0.16CC..THydrogen-bonded Turntrans61-123.5-17200000110.1D105 L108D105-G241 PolarHBondContact O-N 3.14Å; L108-G241 VanDerWaalsContact CD2-O 3.28Å; L108-G241 WeakPolarHBondContact CD2-O 3.21Å
242D89.3Confident90.5Very high59 Ų5928.3 Ų28.332%0.31615%0.149SC..THydrogen-bonded Turntrans-97.214-18064.6-8.2000114P33 K240P33-D242 HydrophobicContact CG-CB 3.86Å; P33-D242 VanDerWaalsContact CG-CG 3.41Å; P33-D242 WeakPolarHBondContact CG-OD2 3.44Å; K240-D242 PolarHBondContact O-N 2.78Å
243T91.4Very high90.7Very high10 Ų1028.6 Ų28.66%0.06115%0.151CC..EExtended strand (participates in β ladder)trans-111.1147.8-17671.20000112.3I30 L31 I239 K240 L275I30-T243 HydrophobicContact CG2-CG2 4.41Å; L31-T243 WeakPolarHBondContact O-CA 3.37Å; I239-T243 WeakPolarHBondContact CA-O 3.22Å; K240-T243 PolarHBondContact N-O 3.16Å; K240-T243 VanDerWaalsContact N-O 3.14Å; K240-T243 PolarHBondContact O-N 3.28Å; K240-T243 VanDerWaalsContact O-N 3.17Å; K240-T243 PolarHBondContact O-OG1 2.78Å; T243-L275 HydrophobicContact CG2-CB 4.42Å; T243-L275 HydrophobicContact CG2-CD1 3.91Å
244I91.8Very high90.8Very high2 Ų227.8 Ų27.81%0.0115%0.146CC..EExtended strand (participates in β ladder)trans-99.7127.8165.7-65.5172.4000108.1I30 L31 I36 L108 L153 L246I30-I244 WeakPolarHBondContact CA-O 3.37Å; L31-I244 HydrophobicContact CB-CB 4.32Å; L31-I244 HydrophobicContact CD1-CB 4.44Å; L31-I244 HydrophobicContact CD1-CG2 4.33Å; L31-I244 PolarHBondContact N-O 3.36Å; L31-I244 PolarHBondContact O-N 2.85Å; I36-I244 HydrophobicContact CD1-CB 4.39Å; I36-I244 HydrophobicContact CD1-CD1 3.81Å; I36-I244 HydrophobicContact CD1-CG1 3.82Å; I36-I244 HydrophobicContact CG1-CD1 4.05Å; L108-I244 HydrophobicContact CD1-CD1 3.9Å; L108-I244 HydrophobicContact CD1-CG1 3.46Å; L108-I244 VanDerWaalsContact CD1-CG1 3.46Å; L153-I244 HydrophobicContact CD1-CD1 4.1Å; L153-I244 HydrophobicContact CD1-CG1 4.32Å; L153-I244 HydrophobicContact CD1-CG2 3.59Å; I244-L246 HydrophobicContact CG2-CD2 4.13Å
245Q90.9Very high90.8Very high6 Ų629.5 Ų29.53%0.02816%0.163CC..EExtended strand (participates in β ladder)trans-111.7127.6175-70.7-179.322.500109.7V28 L29 I30 P237 A238 Y247V28-Q245 HydrophobicContact CG1-CB 4.46Å; L29-Q245 WeakPolarHBondContact O-CA 3.09Å; I30-Q245 HydrophobicContact CB-CG 4.46Å; I30-Q245 HydrophobicContact CG1-CG 4.34Å; I30-Q245 HydrophobicContact CG2-CG 3.86Å; P237-Q245 CarbonylContact C-O 3.5Å; P237-Q245 VanDerWaalsContact CA-O 3.25Å; P237-Q245 WeakPolarHBondContact CA-O 3.41Å; A238-Q245 HydrophobicContact CB-CB 4.38Å; A238-Q245 PolarHBondContact N-O 3.03Å; A238-Q245 PolarHBondContact O-N 2.85Å; Q245-Y247 HydrophobicContact CB-CE1 4.49Å; Q245-Y247 PolarHBondContact OE1-OH 3.13Å
246L92Very high91Very high0 Ų034.1 Ų34.10%018%0.182CC..EExtended strand (participates in β ladder)trans-106.6110.3169.6-54.4-177.5000107.8V28 L29 Y212 V219 L234 P237 I244 L248V28-L246 WeakPolarHBondContact CA-O 3.49Å; L29-L246 HydrophobicContact CB-CB 4.32Å; L29-L246 HydrophobicContact CD2-CD1 4.32Å; L29-L246 PolarHBondContact N-O 3.23Å; L29-L246 PolarHBondContact O-N 3.09Å; Y212-L246 HydrophobicContact CE2-CD2 4.44Å; V219-L246 HydrophobicContact CG1-CD1 4.29Å; L234-L246 HydrophobicContact CD1-CB 3.99Å; L234-L246 HydrophobicContact CD1-CD2 4.06Å; P237-L246 HydrophobicContact CB-CD2 3.99Å; I244-L246 HydrophobicContact CG2-CD2 4.13Å; L246-L248 HydrophobicContact CB-CD2 4.18Å
247Y90.6Very high91.1Very high55 Ų5534.5 Ų34.522%0.21619%0.192CC..EExtended strand (participates in β ladder)trans-83.8125.1173.6-61.4-60.6000109.3P25 V28 L235 S236 A238 Q245P25-Y247 HydrophobicContact CB-CD1 3.56Å; P25-Y247 HydrophobicContact CB-CE1 4.47Å; P25-Y247 HydrophobicContact CB-CG 4.13Å; P25-Y247 HydrophobicContact CG-CD1 3.55Å; P25-Y247 HydrophobicContact CG-CE1 3.98Å; P25-Y247 HydrophobicContact CG-CG 4.47Å; V28-Y247 HydrophobicContact CB-CD1 4.46Å; V28-Y247 HydrophobicContact CG1-CD1 3.91Å; V28-Y247 HydrophobicContact CG1-CE1 3.9Å; V28-Y247 HydrophobicContact CG2-CD1 3.83Å; V28-Y247 HydrophobicContact CG2-CE1 4.13Å; L235-Y247 WeakPolarHBondContact CB-O 3.38Å; L235-Y247 PolarHBondContact N-O 3.17Å; S236-Y247 PolarHBondContact N-O 3.36Å; S236-Y247 WeakPolarHBondContact O-CB 3.45Å; S236-Y247 PolarHBondContact O-N 2.82Å; S236-Y247 WeakPolarHBondContact OG-CD2 3.5Å; A238-Y247 HydrophobicContact CB-CD2 4.3Å; A238-Y247 HydrophobicContact CB-CE2 3.53Å; Q245-Y247 HydrophobicContact CB-CE1 4.49Å; Q245-Y247 PolarHBondContact OE1-OH 3.13Å
248L91.3Very high91.2Very high0 Ų041.1 Ų41.10%022%0.22CC..EExtended strand (participates in β ladder)trans-120.4141.9-171.6-50.5177.6000111T26 A27 V219 F232 D233 L234 L246 F282T26-L248 PolarHBondContact N-O 3.28Å; T26-L248 VanDerWaalsContact N-O 3.13Å; A27-L248 HydrophobicContact CB-CB 4.18Å; A27-L248 PolarHBondContact N-O 3.27Å; A27-L248 PolarHBondContact O-N 3.42Å; V219-L248 HydrophobicContact CB-CD1 4Å; V219-L248 HydrophobicContact CB-CD2 4.13Å; V219-L248 HydrophobicContact CG1-CD1 3.87Å; V219-L248 HydrophobicContact CG1-CD2 4.25Å; V219-L248 HydrophobicContact CG2-CD2 4.11Å; F232-L248 HydrophobicContact CB-CB 4.3Å; F232-L248 HydrophobicContact CB-CD1 4.09Å; F232-L248 HydrophobicContact CD1-CB 4.18Å; F232-L248 HydrophobicContact CD1-CD1 4.41Å; F232-L248 HydrophobicContact CG-CD1 4.33Å; D233-L248 CarbonylContact O-C 3.58Å; D233-L248 VanDerWaalsContact O-CA 3.23Å; D233-L248 WeakPolarHBondContact O-CA 3.47Å; L234-L248 HydrophobicContact CB-CD2 4.47Å; L234-L248 HydrophobicContact CD1-CD2 4.1Å; L246-L248 HydrophobicContact CB-CD2 4.18Å; L248-F282 HydrophobicContact CD1-CE2 3.9Å; L248-F282 HydrophobicContact CD1-CZ 4.49Å
249G91.7Very high91.5Very high0 Ų043.3 Ų43.30%023%0.231CC..EExtended strand (participates in β ladder)trans-93.4157.2162.900000108.7F232 D233 L235 F263F232-G249 VanDerWaalsContact CA-O 3.24Å; F232-G249 WeakPolarHBondContact CA-O 3.08Å; D233-G249 PolarHBondContact N-O 2.89Å; D233-G249 PolarHBondContact O-N 2.87Å; L235-G249 VanDerWaalsContact CG-N 3.33Å; G249-F263 CarbonylContact C-O 3.59Å; G249-F263 VanDerWaalsContact CA-O 3.29Å; G249-F263 WeakPolarHBondContact CA-O 3.38Å
250A93.1Very high91.5Very high0 Ų045.9 Ų45.90%025%0.248CC..EExtended strand (participates in β ladder)trans-124.5146-179.700000111.4T26 L230 E231 F232 F263 V288T26-A250 HydrophobicContact CG2-CB 4.19Å; L230-A250 HydrophobicContact CD1-CB 4.12Å; E231-A250 CarbonylContact O-C 3.58Å; E231-A250 VanDerWaalsContact O-CA 3.31Å; E231-A250 WeakPolarHBondContact O-CA 3.35Å; F232-A250 HydrophobicContact CD1-CB 3.81Å; F232-A250 HydrophobicContact CE1-CB 3.71Å; A250-F263 HydrophobicContact CB-CB 4.2Å; A250-F263 HydrophobicContact CB-CD2 4.16Å; A250-F263 PolarHBondContact N-O 3.41Å; A250-F263 WeakPolarHBondContact O-CD2 3.4Å; A250-F263 PolarHBondContact O-N 3.4Å; A250-V288 HydrophobicContact CB-CG1 4.25Å; A250-V288 HydrophobicContact CB-CG2 3.69Å
251K94.1Very high91.7Very high46 Ų4644.2 Ų44.220%0.224%0.241CC..EExtended strand (participates in β ladder)trans-128.5130.6174.4-70168.5-179.2163.10108.9L230 E231 D233 L253 V259 K261 W262L230-K251 WeakPolarHBondContact CA-O 3.43Å; E231-K251 HydrophobicContact CB-CB 4.48Å; E231-K251 PolarHBondContact N-O 3.02Å; E231-K251 PolarHBondContact O-N 2.88Å; D233-K251 WeakPolarHBondContact OD2-CD 3.35Å; D233-K251 WeakPolarHBondContact OD2-CE 3.28Å; D233-K251 IonicContact OD2-NZ 3.02Å; D233-K251 PolarHBondContact OD2-NZ 3.03Å; K251-L253 HydrophobicContact CB-CD1 3.91Å; K251-L253 WeakPolarHBondContact O-CD1 3.42Å; K251-V259 HydrophobicContact CB-CG1 4.49Å; K251-K261 WeakPolarHBondContact CA-O 3.42Å; K251-W262 VanDerWaalsContact CG-CD1 3.42Å; K251-W262 HydrophobicContact CG-CG 4.12Å
252L94.8Very high91.8Very high8 Ų850.8 Ų50.84%0.04226%0.26CS..EExtended strand (participates in β ladder)trans-96.7125.9167.5-172.868.3000107.9L225 D228 R229 V259 T260 K261 F263 A291 A295L225-L252 HydrophobicContact CD1-CD1 3.8Å; D228-L252 HydrophobicContact CB-CD1 4.41Å; R229-L252 WeakPolarHBondContact O-CA 3.23Å; L252-V259 CarbonylContact O-C 3.36Å; L252-V259 WeakPolarHBondContact O-CA 3.47Å; L252-T260 PolarHBondContact O-N 3.04Å; L252-T260 PolarHBondContact O-OG1 2.94Å; L252-T260 VanDerWaalsContact O-OG1 3.14Å; L252-K261 HydrophobicContact CB-CB 4.11Å; L252-K261 HydrophobicContact CD2-CD 4.36Å; L252-K261 PolarHBondContact N-O 3.26Å; L252-K261 PolarHBondContact O-N 3.47Å; L252-F263 HydrophobicContact CB-CE2 4.48Å; L252-A291 HydrophobicContact CD2-CB 4.43Å; L252-A295 HydrophobicContact CD1-CB 4.13Å; L252-A295 HydrophobicContact CD2-CB 4.32Å
253L94.9Very high91.8Very high14 Ų1449.4 Ų49.47%0.07325%0.251CS..EExtended strand (participates in β ladder)trans-116.5139179.4-59.487000108.8D228 R229 E231 K251 K258 V259D228-L253 CarbonylContact C-O 3.52Å; D228-L253 WeakPolarHBondContact CA-O 3.39Å; D228-L253 WeakPolarHBondContact CB-O 3.2Å; R229-L253 HydrophobicContact CB-CB 4.49Å; R229-L253 PolarHBondContact N-O 2.83Å; R229-L253 PolarHBondContact O-N 2.87Å; E231-L253 HydrophobicContact CB-CD1 3.91Å; E231-L253 HydrophobicContact CG-CD1 3.77Å; K251-L253 HydrophobicContact CB-CD1 3.91Å; K251-L253 WeakPolarHBondContact O-CD1 3.42Å; L253-K258 VanDerWaalsContact CA-O 3.29Å; L253-K258 WeakPolarHBondContact CA-O 3.49Å; L253-V259 HydrophobicContact CD2-CG2 4.42Å; L253-V259 HydrophobicContact CG-CG2 4.25Å
254D91.9Very high91.1Very high34 Ų3451.6 Ų51.618%0.18226%0.263CS..  trans-75176.9172.26423.3000112.1Q256 G257 K258 T260D254-Q256 PolarHBondContact O-N 3Å; D254-Q256 WeakPolarHBondContact OD1-CA 3.45Å; D254-Q256 WeakPolarHBondContact OD1-CB 3.42Å; D254-Q256 PolarHBondContact OD1-N 2.82Å; D254-G257 PolarHBondContact O-N 3.12Å; D254-G257 PolarHBondContact OD1-N 3.01Å; D254-G257 VanDerWaalsContact OD1-N 3.15Å; D254-K258 PolarHBondContact N-O 2.77Å; D254-K258 WeakPolarHBondContact OD1-CB 3.31Å; D254-K258 PolarHBondContact OD1-N 2.81Å; D254-T260 HydrophobicContact CB-CG2 3.79Å
255S88.9Confident90Very high86 Ų8655.3 Ų55.360%0.60128%0.283SS*.THydrogen-bonded Turntrans-54.6-19.2175.262.80000115.6T227T227-S255 WeakPolarHBondContact O-CA 3.45Å
256Q91.1Very high88.4Confident170 Ų17055.4 Ų55.479%0.79428%0.284SS*.THydrogen-bonded Turntrans-94.4-1177.4-59.4-175.5-10.200112.6D254 K258D254-Q256 PolarHBondContact O-N 3Å; D254-Q256 WeakPolarHBondContact OD1-CA 3.45Å; D254-Q256 WeakPolarHBondContact OD1-CB 3.42Å; D254-Q256 PolarHBondContact OD1-N 2.82Å; Q256-K258 VanDerWaalsContact C-N 3.33Å
257G90.1Very high86.4Confident47 Ų4760.5 Ų60.549%0.48533%0.326SS..SBendtrans78.216.4-176.400000113.4D254D254-G257 PolarHBondContact O-N 3.12Å; D254-G257 PolarHBondContact OD1-N 3.01Å; D254-G257 VanDerWaalsContact OD1-N 3.15Å
258K93.9Very high84.8Confident143 Ų14360.5 Ų60.562%0.62234%0.338SS*.  trans-86.8131.5174.6-178.3-174176.2-173.70109.4L253 D254 Q256 T260L253-K258 VanDerWaalsContact CA-O 3.29Å; L253-K258 WeakPolarHBondContact CA-O 3.49Å; D254-K258 PolarHBondContact N-O 2.77Å; D254-K258 WeakPolarHBondContact OD1-CB 3.31Å; D254-K258 PolarHBondContact OD1-N 2.81Å; Q256-K258 VanDerWaalsContact C-N 3.33Å; K258-T260 PolarHBondContact O-N 3.49Å
259V93.9Very high83.2Confident67 Ų6764.6 Ų64.641%0.40637%0.366SS..EExtended strand (participates in β ladder)trans-65.6115.4175.3-177.70000109.5K251 L252 L253 K261 W262K251-V259 HydrophobicContact CB-CG1 4.49Å; L252-V259 CarbonylContact O-C 3.36Å; L252-V259 WeakPolarHBondContact O-CA 3.47Å; L253-V259 HydrophobicContact CD2-CG2 4.42Å; L253-V259 HydrophobicContact CG-CG2 4.25Å; V259-K261 WeakPolarHBondContact CG1-O 3.5Å; V259-W262 HydrophobicContact CG1-CB 4.19Å
260T91.1Very high81.8Confident71 Ų7165.1 Ų65.144%0.43637%0.369SS..EExtended strand (participates in β ladder)trans-94.2-34.7177.557.50000111.9L252 D254 K258L252-T260 PolarHBondContact O-N 3.04Å; L252-T260 PolarHBondContact O-OG1 2.94Å; L252-T260 VanDerWaalsContact O-OG1 3.14Å; D254-T260 HydrophobicContact CB-CG2 3.79Å; K258-T260 PolarHBondContact O-N 3.49Å
261K91.1Very high80.4Confident93 Ų9367.8 Ų67.840%0.40439%0.391SS..EExtended strand (participates in β ladder)trans-139.5141.6174.2-62.8-178.2-179.6173.50110.3K251 L252 V259 F263 A291K251-K261 WeakPolarHBondContact CA-O 3.42Å; L252-K261 HydrophobicContact CB-CB 4.11Å; L252-K261 HydrophobicContact CD2-CD 4.36Å; L252-K261 PolarHBondContact N-O 3.26Å; L252-K261 PolarHBondContact O-N 3.47Å; V259-K261 WeakPolarHBondContact CG1-O 3.5Å; K261-F263 HydrophobicContact CB-CD2 4.46Å; K261-F263 HydrophobicContact CB-CE2 3.56Å; K261-F263 HydrophobicContact CB-CZ 3.64Å; K261-F263 HydrophobicContact CD-CE2 4.47Å; K261-F263 HydrophobicContact CD-CZ 3.82Å; K261-F263 HydrophobicContact CG-CZ 4.35Å; K261-A291 HydrophobicContact CD-CB 4.08Å
262W90.8Very high79Confident155 Ų15567.2 Ų67.259%0.58739%0.392SS*.EExtended strand (participates in β ladder)trans-128.4123.9177.3-167.39.6000110.3K251 V259 N264K251-W262 VanDerWaalsContact CG-CD1 3.42Å; K251-W262 HydrophobicContact CG-CG 4.12Å; V259-W262 HydrophobicContact CG1-CB 4.19Å; W262-N264 VanDerWaalsContact CE2-CG 3.41Å; W262-N264 WeakPolarHBondContact CH2-ND2 3.36Å; W262-N264 WeakPolarHBondContact CZ2-ND2 3.25Å; W262-N264 VanDerWaalsContact NE1-CG 3.28Å; W262-N264 PolarHBondContact NE1-ND2 3.23Å; W262-N264 PolarHBondContact NE1-OD1 3.42Å
263F87.9Confident77.5Confident30 Ų3070 Ų7013%0.13241%0.41CS..EExtended strand (participates in β ladder)trans-115.488.4-176.8-50.9-90.8000109T26 G249 A250 L252 K261 D287 V288 A291T26-F263 HydrophobicContact CG2-CB 3.41Å; T26-F263 VanDerWaalsContact CG2-CB 3.41Å; T26-F263 HydrophobicContact CG2-CG 4.22Å; T26-F263 PolarHBondContact OG1-O 3.48Å; T26-F263 VanDerWaalsContact OG1-O 3.14Å; G249-F263 CarbonylContact C-O 3.59Å; G249-F263 VanDerWaalsContact CA-O 3.29Å; G249-F263 WeakPolarHBondContact CA-O 3.38Å; A250-F263 HydrophobicContact CB-CB 4.2Å; A250-F263 HydrophobicContact CB-CD2 4.16Å; A250-F263 PolarHBondContact N-O 3.41Å; A250-F263 WeakPolarHBondContact O-CD2 3.4Å; A250-F263 PolarHBondContact O-N 3.4Å; L252-F263 HydrophobicContact CB-CE2 4.48Å; K261-F263 HydrophobicContact CB-CD2 4.46Å; K261-F263 HydrophobicContact CB-CE2 3.56Å; K261-F263 HydrophobicContact CB-CZ 3.64Å; K261-F263 HydrophobicContact CD-CE2 4.47Å; K261-F263 HydrophobicContact CD-CZ 3.82Å; K261-F263 HydrophobicContact CG-CZ 4.35Å; F263-D287 HydrophobicContact CD1-CB 4.33Å; F263-D287 HydrophobicContact CE1-CB 4.3Å; F263-V288 HydrophobicContact CB-CG2 4.03Å; F263-V288 HydrophobicContact CD1-CG2 4.08Å; F263-V288 HydrophobicContact CD2-CG2 3.85Å; F263-V288 HydrophobicContact CE2-CG2 4.32Å; F263-V288 HydrophobicContact CG-CG2 3.73Å; F263-A291 HydrophobicContact CE1-CB 4.38Å; F263-A291 HydrophobicContact CE2-CB 4.1Å; F263-A291 HydrophobicContact CZ-CB 3.48Å; F263-A291 VanDerWaalsContact CZ-CB 3.48Å
264N76.8Confident76.1Confident56 Ų5673.6 Ų73.630%0.29944%0.436SS..SBendtrans-94.9-15.2173.1-76.2-27.4000113.1W262W262-N264 VanDerWaalsContact CE2-CG 3.41Å; W262-N264 WeakPolarHBondContact CH2-ND2 3.36Å; W262-N264 WeakPolarHBondContact CZ2-ND2 3.25Å; W262-N264 VanDerWaalsContact NE1-CG 3.28Å; W262-N264 PolarHBondContact NE1-ND2 3.23Å; W262-N264 PolarHBondContact NE1-OD1 3.42Å
265N68.3Low75.1Confident80 Ų8073.2 Ų73.243%0.42843%0.434SS..SBendtrans-152.7122.4-175.5-146.214000107.4L23 S24L23-N265 VanDerWaalsContact C-OD1 3.25Å; L23-N265 WeakPolarHBondContact CA-OD1 3.48Å; L23-N265 WeakPolarHBondContact CB-OD1 3.48Å; L23-N265 HydrophobicContact CD2-CB 4.04Å; S24-N265 PolarHBondContact N-OD1 2.7Å; S24-N265 PolarHBondContact O-OD1 2.94Å
266S57.4Low74Confident9 Ų975.7 Ų75.76%0.06344%0.441CS..  trans-81.7144.6171.9-176.70000109.9S24 A268 D287S24-S266 PolarHBondContact O-N 2.78Å; S266-A268 WeakPolarHBondContact CB-O 3.18Å; S266-A268 PolarHBondContact O-N 3.01Å; S266-A268 PolarHBondContact OG-N 3.36Å; S266-A268 PolarHBondContact OG-O 3.22Å; S266-D287 PolarHBondContact OG-OD2 3.34Å
267A50.8Low73Confident106 Ų10675.3 Ų75.388%0.87644%0.444SS*.SBendtrans-67.9-2317500000112.1
268A56.3Low72.7Confident56 Ų5675.6 Ų75.646%0.46344%0.437SS..SBendtrans-107.7141175.700000110.6S266 L270S266-A268 WeakPolarHBondContact CB-O 3.18Å; S266-A268 PolarHBondContact O-N 3.01Å; S266-A268 PolarHBondContact OG-N 3.36Å; S266-A268 PolarHBondContact OG-O 3.22Å; A268-L270 PolarHBondContact O-N 2.76Å
269S57.5Low72.5Confident86 Ų8669.9 Ų69.960%0.60141%0.414SS*.  trans-68.5118.2171.3174.80000109.1A271S269-A271 PolarHBondContact O-N 3.39Å; S269-A271 VanDerWaalsContact O-N 3.11Å
270L62.8Low72.5Confident10 Ų1066.7 Ų66.75%0.05239%0.394CS..  trans-61.5113.3167.1-85.2178.3000109.4P25 V28 A268 V272 I283 D466P25-L270 HydrophobicContact CG-CB 4.5Å; P25-L270 HydrophobicContact CG-CD1 4.36Å; P25-L270 WeakPolarHBondContact O-CD1 2.87Å; V28-L270 HydrophobicContact CG2-CD1 3.97Å; A268-L270 PolarHBondContact O-N 2.76Å; L270-V272 PolarHBondContact O-N 3.02Å; L270-V272 VanDerWaalsContact O-N 3.09Å; L270-I283 HydrophobicContact CD2-CG2 3.86Å; L270-D466 HydrophobicContact CD2-CB 4.06Å; L270-D466 WeakPolarHBondContact CD2-O 3.28Å
271A64.1Low72.5Confident57 Ų5763.5 Ų63.547%0.47138%0.375SS..  trans-69.1107.4167.500000108.1S269 P273 D466S269-A271 PolarHBondContact O-N 3.39Å; S269-A271 VanDerWaalsContact O-N 3.11Å; A271-P273 WeakPolarHBondContact O-CD 3.42Å; A271-D466 WeakPolarHBondContact CB-OD2 3.48Å
272V64.2Low72.6Confident34 Ų3459.5 Ų59.521%0.20636%0.358CS..  trans-83.7106.5176.5-175.60000107.9V28 I30 L270V28-V272 HydrophobicContact CG1-CG1 4.47Å; V28-V272 HydrophobicContact CG1-CG2 4.48Å; V28-V272 HydrophobicContact CG2-CG2 4.1Å; I30-V272 HydrophobicContact CD1-CG1 3.35Å; I30-V272 HydrophobicContact CG1-CG1 4.12Å; L270-V272 PolarHBondContact O-N 3.02Å; L270-V272 VanDerWaalsContact O-N 3.09Å
273P63.9Low72.6Confident65 Ų6552.2 Ų52.242%0.42233%0.33SS..  trans-67154.6178.630.5-33.2000110.6A271 I283A271-P273 WeakPolarHBondContact O-CD 3.42Å; P273-I283 HydrophobicContact CG-CD1 3.99Å
274S65.2Low72.8Confident90 Ų9051.4 Ų51.463%0.62933%0.328SS*.  trans-65.2140.4166.8460000110.1D276S274-D276 VanDerWaalsContact C-N 3.26Å; S274-D276 WeakPolarHBondContact CB-OD1 3.35Å; S274-D276 PolarHBondContact O-N 3.1Å; S274-D276 VanDerWaalsContact O-N 3.08Å; S274-D276 PolarHBondContact OG-OD1 3.42Å
275L70.6Confident73.5Confident27 Ų2748.8 Ų48.814%0.14131%0.314CS..  trans-78.283.3164.4-73.7169.1000107I30 T243 N277 T278I30-L275 HydrophobicContact CB-CD1 3.8Å; I30-L275 HydrophobicContact CB-CG 4.28Å; I30-L275 HydrophobicContact CG2-CD1 3.2Å; I30-L275 HydrophobicContact CG2-CG 3.81Å; T243-L275 HydrophobicContact CG2-CB 4.42Å; T243-L275 HydrophobicContact CG2-CD1 3.91Å; L275-N277 VanDerWaalsContact C-N 3.26Å; L275-N277 PolarHBondContact O-N 3.05Å; L275-T278 HydrophobicContact CD2-CG2 4.38Å; L275-T278 WeakPolarHBondContact CD2-O 3.46Å
276D66.4Low74.4Confident138 Ų13847.6 Ų47.674%0.73831%0.306SS*.SBendtrans-58.1-41.7-179-67-17.9000111.3S274S274-D276 VanDerWaalsContact C-N 3.26Å; S274-D276 WeakPolarHBondContact CB-OD1 3.35Å; S274-D276 PolarHBondContact O-N 3.1Å; S274-D276 VanDerWaalsContact O-N 3.08Å; S274-D276 PolarHBondContact OG-OD1 3.42Å
277N69.6Low75.8Confident161 Ų16150.2 Ų50.286%0.86132%0.319SS*.SBendtrans-156.13.7172.6-133.46.5000113.9L275L275-N277 VanDerWaalsContact C-N 3.26Å; L275-N277 PolarHBondContact O-N 3.05Å
278T84.1Confident77.8Confident54 Ų5445.2 Ų45.233%0.33128%0.278SS..  trans-74133-176.5-49.60000109.4L275 F280 T471 P472L275-T278 HydrophobicContact CD2-CG2 4.38Å; L275-T278 WeakPolarHBondContact CD2-O 3.46Å; T278-F280 VanDerWaalsContact C-N 3.33Å; T278-F280 WeakPolarHBondContact CG2-O 3.38Å; T278-F280 PolarHBondContact O-N 2.94Å; T278-T471 HydrophobicContact CG2-CG2 3.87Å; T278-P472 HydrophobicContact CG2-CG 3.9Å
279P90.8Very high79.5Confident22 Ų2243 Ų4314%0.14326%0.258CS..SBendtrans-60-37.7-178.6-25.429.5000114.8G32 K34 V35 F456 P472G32-P279 WeakPolarHBondContact CA-O 3.49Å; G32-P279 PolarHBondContact N-O 3.03Å; K34-P279 HydrophobicContact CB-CB 4.45Å; K34-P279 HydrophobicContact CD-CB 4.31Å; K34-P279 HydrophobicContact CD-CG 4.04Å; V35-P279 HydrophobicContact CG2-CB 3.9Å; V35-P279 VanDerWaalsContact CG2-O 3.22Å; V35-P279 WeakPolarHBondContact CG2-O 3.44Å; P279-F456 HydrophobicContact CB-CE1 4.06Å; P279-F456 HydrophobicContact CB-CE2 4.28Å; P279-F456 HydrophobicContact CB-CZ 3.44Å; P279-F456 VanDerWaalsContact CB-CZ 3.44Å; P279-F456 HydrophobicContact CG-CE1 4.01Å; P279-F456 HydrophobicContact CG-CZ 3.92Å; P279-P472 HydrophobicContact CB-CG 4.11Å; P279-P472 HydrophobicContact CG-CG 3.8Å
280F92.8Very high81.1Confident0 Ų042.4 Ų42.40%025%0.245CC..EExtended strand (participates in β ladder)trans-151.9163.6173.176-90000110.1L29 I30 L31 V35 T278 V451 L454 F456 P472L29-F280 HydrophobicContact CD1-CD2 4.33Å; I30-F280 CarbonylContact O-C 3.58Å; I30-F280 WeakPolarHBondContact O-CA 3.35Å; I30-F280 VanDerWaalsContact O-CB 3.31Å; I30-F280 WeakPolarHBondContact O-CB 3.42Å; L31-F280 HydrophobicContact CD2-CB 4.39Å; V35-F280 HydrophobicContact CG2-CB 4.35Å; T278-F280 VanDerWaalsContact C-N 3.33Å; T278-F280 WeakPolarHBondContact CG2-O 3.38Å; T278-F280 PolarHBondContact O-N 2.94Å; F280-V451 HydrophobicContact CZ-CB 4.42Å; F280-V451 HydrophobicContact CZ-CG1 4.3Å; F280-V451 HydrophobicContact CZ-CG2 4.03Å; F280-L454 HydrophobicContact CB-CD1 3.99Å; F280-L454 HydrophobicContact CD1-CD1 3.83Å; F280-L454 HydrophobicContact CD2-CD1 3.84Å; F280-L454 HydrophobicContact CE1-CD1 4.28Å; F280-L454 HydrophobicContact CE2-CD1 4.31Å; F280-L454 HydrophobicContact CG-CD1 3.6Å; F280-F456 AromaticContact CD1-CD2 3.77Å; F280-F456 HydrophobicContact CD1-CD2 3.77Å; F280-F456 AromaticContact CD1-CE2 3.58Å; F280-F456 HydrophobicContact CD1-CE2 3.58Å; F280-F456 HydrophobicContact CD1-CZ 4.25Å; F280-F456 HydrophobicContact CE1-CB 4.41Å; F280-F456 AromaticContact CE1-CD2 3.41Å; F280-F456 HydrophobicContact CE1-CD2 3.41Å; F280-F456 VanDerWaalsContact CE1-CD2 3.41Å; F280-F456 AromaticContact CE1-CE2 3.75Å; F280-F456 HydrophobicContact CE1-CE2 3.75Å; F280-F456 AromaticContact CE1-CG 3.91Å; F280-F456 HydrophobicContact CE1-CG 3.91Å; F280-F456 HydrophobicContact CE1-CZ 4.49Å; F280-P472 HydrophobicContact CD1-CB 4.24Å; F280-P472 HydrophobicContact CD1-CG 3.96Å; F280-P472 HydrophobicContact CE1-CB 3.67Å; F280-P472 HydrophobicContact CE1-CG 3.85Å; F280-P472 HydrophobicContact CZ-CB 4.34Å; F280-P472 VanDerWaalsContact O-CD 3.23Å; F280-P472 WeakPolarHBondContact O-CD 3.24Å
281S92Very high82.5Confident4 Ų442.1 Ų42.13%0.02824%0.244CC..EExtended strand (participates in β ladder)trans-141.1132.3168-179.50000109I30 V469 L470I30-S281 PolarHBondContact N-O 3.43Å; I30-S281 PolarHBondContact O-N 3.34Å; S281-V469 WeakPolarHBondContact OG-CG1 3.44Å; S281-L470 CarbonylContact C-O 3.59Å; S281-L470 WeakPolarHBondContact CA-O 3.25Å
282F92.6Very high83.9Confident10 Ų1040 Ų404%0.04423%0.226CC..EExtended strand (participates in β ladder)trans-115.1117.8172.4-176.8-135.3000109.7A27 V28 L29 F232 L248 V284 L470A27-F282 HydrophobicContact CB-CE2 3.86Å; A27-F282 HydrophobicContact CB-CZ 4.19Å; V28-F282 WeakPolarHBondContact O-CA 3.23Å; L29-F282 HydrophobicContact CB-CD2 3.96Å; L29-F282 HydrophobicContact CB-CE2 4.49Å; L29-F282 HydrophobicContact CD1-CB 3.95Å; L29-F282 HydrophobicContact CD1-CD2 4.25Å; L29-F282 HydrophobicContact CD1-CG 4.39Å; F232-F282 HydrophobicContact CD2-CZ 4.39Å; F232-F282 HydrophobicContact CE1-CZ 4.33Å; F232-F282 HydrophobicContact CE2-CE1 4.43Å; F232-F282 AromaticContact CE2-CZ 3.96Å; F232-F282 HydrophobicContact CE2-CZ 3.96Å; F232-F282 AromaticContact CZ-CZ 3.92Å; F232-F282 HydrophobicContact CZ-CZ 3.92Å; L248-F282 HydrophobicContact CD1-CE2 3.9Å; L248-F282 HydrophobicContact CD1-CZ 4.49Å; F282-V284 HydrophobicContact CD1-CG2 4.27Å; F282-V284 HydrophobicContact CE1-CG2 3.72Å; F282-V284 HydrophobicContact CE2-CG2 4.3Å; F282-V284 HydrophobicContact CZ-CG2 3.74Å; F282-L470 HydrophobicContact CB-CB 4.29Å; F282-L470 HydrophobicContact CD1-CD1 3.99Å; F282-L470 PolarHBondContact N-O 2.9Å; F282-L470 PolarHBondContact O-N 3.13Å
283I91.1Very high85.2Confident2 Ų238.5 Ų38.51%0.0122%0.217CC..EExtended strand (participates in β ladder)trans-116.6128.4-171.5-54.4166.7000108A27 V28 I30 L270 P273 L468 V469A27-I283 CarbonylContact C-O 3.57Å; A27-I283 WeakPolarHBondContact CA-O 3.4Å; A27-I283 VanDerWaalsContact CB-O 3.25Å; A27-I283 WeakPolarHBondContact CB-O 3.47Å; V28-I283 PolarHBondContact N-O 3.08Å; V28-I283 PolarHBondContact O-N 3.1Å; I30-I283 HydrophobicContact CD1-CD1 3.99Å; L270-I283 HydrophobicContact CD2-CG2 3.86Å; P273-I283 HydrophobicContact CG-CD1 3.99Å; I283-L468 WeakPolarHBondContact CA-O 3.23Å; I283-V469 HydrophobicContact CG1-CG1 4.19Å; I283-V469 HydrophobicContact CG1-CG2 4.19Å; I283-V469 HydrophobicContact CG2-CG2 4.25Å
284V91.8Very high86.5Confident13 Ų1336 Ų368%0.07920%0.202CC..EExtended strand (participates in β ladder)trans-121.5126178.7-177.50000108.6A27 F232 F282 V288 V289 G467 L468A27-V284 HydrophobicContact CB-CG2 4.2Å; F232-V284 HydrophobicContact CZ-CG1 4.44Å; F232-V284 HydrophobicContact CZ-CG2 4.23Å; F282-V284 HydrophobicContact CD1-CG2 4.27Å; F282-V284 HydrophobicContact CE1-CG2 3.72Å; F282-V284 HydrophobicContact CE2-CG2 4.3Å; F282-V284 HydrophobicContact CZ-CG2 3.74Å; V284-V288 HydrophobicContact CG1-CB 3.68Å; V284-V288 HydrophobicContact CG1-CG1 3.46Å; V284-V288 VanDerWaalsContact CG1-CG1 3.46Å; V284-V289 HydrophobicContact CB-CG2 4.3Å; V284-V289 HydrophobicContact CG1-CG2 4.05Å; V284-G467 CarbonylContact O-C 3.49Å; V284-G467 WeakPolarHBondContact O-CA 3.27Å; V284-L468 PolarHBondContact N-O 3.17Å; V284-L468 PolarHBondContact O-N 3.01Å
285S90.5Very high87.8Confident1 Ų132.2 Ų32.21%0.00718%0.176CC..EExtended strand (participates in β ladder)trans-61.4152-176.572.30000112.8T26 D287 V288 V289 D466T26-S285 WeakPolarHBondContact CG2-OG 3.47Å; T26-S285 VanDerWaalsContact O-CB 3.3Å; T26-S285 WeakPolarHBondContact O-CB 3.4Å; T26-S285 PolarHBondContact O-N 2.92Å; T26-S285 PolarHBondContact O-OG 3.31Å; S285-D287 PolarHBondContact O-N 3.17Å; S285-V288 PolarHBondContact O-N 2.91Å; S285-V288 VanDerWaalsContact O-N 3.08Å; S285-V289 WeakPolarHBondContact O-CG2 3.14Å; S285-V289 PolarHBondContact O-N 3.22Å; S285-D466 WeakPolarHBondContact CA-O 3.18Å
286Q87.6Confident88.8Confident55 Ų5532 Ų3226%0.25718%0.175SC..Hα-helixtrans-55.3-34.5177.9-75.9-177.90.700113.1V288 V289 K290 T350 T464 K465 D466Q286-V288 VanDerWaalsContact C-N 3.32Å; Q286-V288 PolarHBondContact O-N 3.03Å; Q286-V289 PolarHBondContact O-N 3.41Å; Q286-K290 VanDerWaalsContact O-CB 3.31Å; Q286-K290 WeakPolarHBondContact O-CB 3.28Å; Q286-K290 PolarHBondContact O-N 2.73Å; Q286-T350 PolarHBondContact NE2-OG1 3.1Å; Q286-T350 PolarHBondContact OE1-OG1 2.79Å; Q286-T464 PolarHBondContact NE2-O 3.36Å; Q286-T464 VanDerWaalsContact NE2-O 3.16Å; Q286-K465 VanDerWaalsContact CD-O 3.3Å; Q286-K465 PolarHBondContact NE2-O 3.38Å; Q286-D466 PolarHBondContact N-O 2.87Å
287D88.3Confident90Very high64 Ų6425.8 Ų25.834%0.34214%0.141SC..Hα-helixtrans-59.9-42.8178.1-62.9-35.1000111.7F263 S266 S285 A291F263-D287 HydrophobicContact CD1-CB 4.33Å; F263-D287 HydrophobicContact CE1-CB 4.3Å; S266-D287 PolarHBondContact OG-OD2 3.34Å; S285-D287 PolarHBondContact O-N 3.17Å; D287-A291 WeakPolarHBondContact O-CB 3.46Å; D287-A291 PolarHBondContact O-N 2.99Å; D287-A291 VanDerWaalsContact O-N 3.1Å
288V91.9Very high91Very high1 Ų120.2 Ų20.21%0.00611%0.114CC..Hα-helixtrans-73.4-41.5177.6171.80000111.1T26 L230 A250 F263 V284 S285 Q286 K290 A291 A292T26-V288 HydrophobicContact CG2-CB 4.31Å; T26-V288 HydrophobicContact CG2-CG2 3.08Å; L230-V288 HydrophobicContact CD1-CG1 3.91Å; L230-V288 HydrophobicContact CD2-CG1 3.88Å; A250-V288 HydrophobicContact CB-CG1 4.25Å; A250-V288 HydrophobicContact CB-CG2 3.69Å; F263-V288 HydrophobicContact CB-CG2 4.03Å; F263-V288 HydrophobicContact CD1-CG2 4.08Å; F263-V288 HydrophobicContact CD2-CG2 3.85Å; F263-V288 HydrophobicContact CE2-CG2 4.32Å; F263-V288 HydrophobicContact CG-CG2 3.73Å; V284-V288 HydrophobicContact CG1-CB 3.68Å; V284-V288 HydrophobicContact CG1-CG1 3.46Å; V284-V288 VanDerWaalsContact CG1-CG1 3.46Å; S285-V288 PolarHBondContact O-N 2.91Å; S285-V288 VanDerWaalsContact O-N 3.08Å; Q286-V288 VanDerWaalsContact C-N 3.32Å; Q286-V288 PolarHBondContact O-N 3.03Å; V288-K290 VanDerWaalsContact C-N 3.33Å; V288-K290 PolarHBondContact O-N 3.19Å; V288-A291 PolarHBondContact O-N 2.88Å; V288-A292 WeakPolarHBondContact O-CB 3.43Å; V288-A292 PolarHBondContact O-N 3.48Å
289V91.8Very high91.3Very high8 Ų821.1 Ų21.15%0.04812%0.121CC..Hα-helixtrans-59.9-45.8176.1179.10000110.2V284 S285 Q286 A291 A292 V293 F348 F388 L468V284-V289 HydrophobicContact CB-CG2 4.3Å; V284-V289 HydrophobicContact CG1-CG2 4.05Å; S285-V289 WeakPolarHBondContact O-CG2 3.14Å; S285-V289 PolarHBondContact O-N 3.22Å; Q286-V289 PolarHBondContact O-N 3.41Å; V289-A291 VanDerWaalsContact C-N 3.33Å; V289-A291 PolarHBondContact O-N 2.87Å; V289-A292 PolarHBondContact O-N 2.85Å; V289-A292 VanDerWaalsContact O-N 3.15Å; V289-V293 HydrophobicContact CG1-CG2 4.3Å; V289-V293 WeakPolarHBondContact O-CG2 3.26Å; V289-V293 PolarHBondContact O-N 3.4Å; V289-F348 HydrophobicContact CB-CE1 4.45Å; V289-F348 HydrophobicContact CG1-CD1 4.23Å; V289-F348 HydrophobicContact CG1-CE1 3.63Å; V289-F348 HydrophobicContact CG1-CZ 4.02Å; V289-F388 HydrophobicContact CG1-CE2 4.44Å; V289-F388 HydrophobicContact CG1-CZ 3.98Å; V289-L468 HydrophobicContact CG2-CB 3.67Å
290K91.1Very high91.3Very high75 Ų7521.5 Ų21.533%0.32612%0.121SC..Hα-helixtrans-57.8-44.9175.7177.7166.5-176.3164.30111.3Q286 V288 A294 E347 F348Q286-K290 VanDerWaalsContact O-CB 3.31Å; Q286-K290 WeakPolarHBondContact O-CB 3.28Å; Q286-K290 PolarHBondContact O-N 2.73Å; V288-K290 VanDerWaalsContact C-N 3.33Å; V288-K290 PolarHBondContact O-N 3.19Å; K290-A294 VanDerWaalsContact O-CB 3.23Å; K290-A294 WeakPolarHBondContact O-CB 3.34Å; K290-A294 PolarHBondContact O-N 2.85Å; K290-E347 IonicContact NZ-OE2 3.93Å; K290-E347 PolarHBondContact NZ-OE2 3.43Å; K290-F348 HydrophobicContact CB-CB 4.25Å; K290-F348 HydrophobicContact CB-CD1 4.32Å; K290-F348 HydrophobicContact CG-CB 4.12Å
291A92.1Very high91.3Very high4 Ų426.6 Ų26.63%0.03315%0.145CC..Hα-helixtrans-66.9-34.7177.300000113.3L252 K261 F263 D287 V288 V289 A294 A295L252-A291 HydrophobicContact CD2-CB 4.43Å; K261-A291 HydrophobicContact CD-CB 4.08Å; F263-A291 HydrophobicContact CE1-CB 4.38Å; F263-A291 HydrophobicContact CE2-CB 4.1Å; F263-A291 HydrophobicContact CZ-CB 3.48Å; F263-A291 VanDerWaalsContact CZ-CB 3.48Å; D287-A291 WeakPolarHBondContact O-CB 3.46Å; D287-A291 PolarHBondContact O-N 2.99Å; D287-A291 VanDerWaalsContact O-N 3.1Å; V288-A291 PolarHBondContact O-N 2.88Å; V289-A291 VanDerWaalsContact C-N 3.33Å; V289-A291 PolarHBondContact O-N 2.87Å; A291-A294 WeakPolarHBondContact O-CB 3.22Å; A291-A295 PolarHBondContact O-N 3.3Å; A291-A295 VanDerWaalsContact O-N 3.11Å
292A92.9Very high91.4Very high12 Ų1227.6 Ų27.610%0.09915%0.149CC..Hα-helixtrans-71.1-44.617700000111.9L225 V288 V289 A294 A295 M296L225-A292 HydrophobicContact CD1-CB 3.66Å; L225-A292 HydrophobicContact CD2-CB 4.27Å; V288-A292 WeakPolarHBondContact O-CB 3.43Å; V288-A292 PolarHBondContact O-N 3.48Å; V289-A292 PolarHBondContact O-N 2.85Å; V289-A292 VanDerWaalsContact O-N 3.15Å; A292-A294 VanDerWaalsContact C-N 3.3Å; A292-A294 PolarHBondContact O-N 3.31Å; A292-A295 PolarHBondContact O-N 2.96Å; A292-A295 VanDerWaalsContact O-N 3.15Å; A292-M296 WeakPolarHBondContact O-CG 3.17Å; A292-M296 PolarHBondContact O-N 2.86Å
293V92.9Very high91.6Very high2 Ų231.6 Ų31.61%0.01217%0.17CC..Hα-helixtrans-60.1-43.3175.41740000110.9V289 A295 M296 L297 F348 V357 F388 L397V289-V293 HydrophobicContact CG1-CG2 4.3Å; V289-V293 WeakPolarHBondContact O-CG2 3.26Å; V289-V293 PolarHBondContact O-N 3.4Å; V293-A295 VanDerWaalsContact C-N 3.34Å; V293-A295 PolarHBondContact O-N 3.44Å; V293-M296 HydrophobicContact CG2-CE 4.18Å; V293-M296 PolarHBondContact O-N 2.8Å; V293-L297 HydrophobicContact CG1-CD1 4.12Å; V293-L297 PolarHBondContact O-N 2.96Å; V293-L297 VanDerWaalsContact O-N 3.1Å; V293-F348 HydrophobicContact CB-CB 4.36Å; V293-F348 HydrophobicContact CB-CD2 4.37Å; V293-F348 HydrophobicContact CB-CG 4.41Å; V293-F348 HydrophobicContact CG1-CB 4.3Å; V293-F348 HydrophobicContact CG1-CD2 4.11Å; V293-F348 HydrophobicContact CG1-CG 4.47Å; V293-F348 HydrophobicContact CG2-CD2 3.98Å; V293-F348 HydrophobicContact CG2-CE2 4.25Å; V293-F348 HydrophobicContact CG2-CG 4.24Å; V293-V357 HydrophobicContact CG1-CG2 3.99Å; V293-F388 HydrophobicContact CG2-CZ 3.99Å; V293-L397 HydrophobicContact CG1-CD2 3.97Å; V293-L397 HydrophobicContact CG2-CD2 4.01Å
294A91.3Very high91.8Very high12 Ų1232.6 Ų32.610%0.09918%0.175CC..Hα-helixtrans-53.9-46.5171.900000113.3K290 A291 A292 L297 T345K290-A294 VanDerWaalsContact O-CB 3.23Å; K290-A294 WeakPolarHBondContact O-CB 3.34Å; K290-A294 PolarHBondContact O-N 2.85Å; A291-A294 WeakPolarHBondContact O-CB 3.22Å; A292-A294 VanDerWaalsContact C-N 3.3Å; A292-A294 PolarHBondContact O-N 3.31Å; A294-L297 CarbonylContact O-C 3.37Å; A294-L297 PolarHBondContact O-N 2.8Å; A294-T345 HydrophobicContact CB-CG2 3.09Å
295A91.9Very high92Very high12 Ų1235.3 Ų35.310%0.09919%0.189CC..Hα-helixtrans-69.4-32.8179.300000112.8L225 D228 L252 A291 A292 V293 L297L225-A295 HydrophobicContact CB-CB 4.38Å; L225-A295 HydrophobicContact CD1-CB 4.31Å; D228-A295 HydrophobicContact CB-CB 4.06Å; L252-A295 HydrophobicContact CD1-CB 4.13Å; L252-A295 HydrophobicContact CD2-CB 4.32Å; A291-A295 PolarHBondContact O-N 3.3Å; A291-A295 VanDerWaalsContact O-N 3.11Å; A292-A295 PolarHBondContact O-N 2.96Å; A292-A295 VanDerWaalsContact O-N 3.15Å; V293-A295 VanDerWaalsContact C-N 3.34Å; V293-A295 PolarHBondContact O-N 3.44Å; A295-L297 VanDerWaalsContact C-N 3.3Å; A295-L297 PolarHBondContact O-N 3.37Å
296M91.6Very high92.2Very high23 Ų2335.3 Ų35.311%0.11319%0.189CC..Hα-helixtrans-75.4-17.6177-69-172.9-65.100113.7L225 A292 V293 P298 L397 L442 V446L225-M296 HydrophobicContact CB-CG 4.1Å; L225-M296 HydrophobicContact CD2-CG 4.11Å; L225-M296 HydrophobicContact CD2-SD 4.07Å; A292-M296 WeakPolarHBondContact O-CG 3.17Å; A292-M296 PolarHBondContact O-N 2.86Å; V293-M296 HydrophobicContact CG2-CE 4.18Å; V293-M296 PolarHBondContact O-N 2.8Å; M296-P298 VanDerWaalsContact C-CD 3.45Å; M296-P298 WeakPolarHBondContact O-CD 3.23Å; M296-L397 HydrophobicContact CE-CD2 4.15Å; M296-L442 HydrophobicContact CB-CD2 3.83Å; M296-L442 HydrophobicContact SD-CD2 4.42Å; M296-V446 HydrophobicContact CE-CG2 4.49Å; M296-V446 HydrophobicContact SD-CG2 3.48Å; M296-V446 WeakPolarHBondContact SD-CG2 3.24Å
297L91.4Very high92.5Very high6 Ų635.2 Ų35.23%0.03119%0.191CC..SBendtrans-126.567.1-178.1-68.9173.5000110.5V293 A294 A295 P346 V357 L399 Q438 L442V293-L297 HydrophobicContact CG1-CD1 4.12Å; V293-L297 PolarHBondContact O-N 2.96Å; V293-L297 VanDerWaalsContact O-N 3.1Å; A294-L297 CarbonylContact O-C 3.37Å; A294-L297 PolarHBondContact O-N 2.8Å; A295-L297 VanDerWaalsContact C-N 3.3Å; A295-L297 PolarHBondContact O-N 3.37Å; L297-P346 HydrophobicContact CB-CG 3.71Å; L297-P346 HydrophobicContact CD1-CG 4.42Å; L297-P346 WeakPolarHBondContact O-CD 3.23Å; L297-P346 WeakPolarHBondContact O-CG 3.39Å; L297-V357 HydrophobicContact CD1-CG1 4.27Å; L297-L399 HydrophobicContact CD1-CD1 4.03Å; L297-Q438 HydrophobicContact CD2-CB 4.08Å; L297-Q438 HydrophobicContact CD2-CG 4.15Å; L297-L442 HydrophobicContact CD2-CD1 4.05Å; L297-L442 HydrophobicContact CD2-CD2 4.11Å; L297-L442 HydrophobicContact CD2-CG 4.15Å; L297-L442 HydrophobicContact CG-CD2 4.26Å
298P89.7Confident92.7Very high45 Ų4536.2 Ų36.229%0.29220%0.202SC..  trans-64.5161.617729.2-35.1000111.8M296 E300M296-P298 VanDerWaalsContact C-CD 3.45Å; M296-P298 WeakPolarHBondContact O-CD 3.23Å; P298-E300 WeakPolarHBondContact O-CG 3.33Å; P298-E300 PolarHBondContact O-N 2.82Å
299P90.9Very high92.8Very high73 Ų7340.7 Ų40.747%0.47423%0.229SC..  trans-57.2134.3170-2130000111.9D344P299-D344 WeakPolarHBondContact CG-O 3.32Å
300E90.3Very high93Very high30 Ų3042.2 Ų42.214%0.1424%0.237CC..  trans-144.7146.1-171.4-74.1178.2177.300112.5P298 F302 L341 T342 K441P298-E300 WeakPolarHBondContact O-CG 3.33Å; P298-E300 PolarHBondContact O-N 2.82Å; E300-F302 HydrophobicContact CB-CE2 3.82Å; E300-F302 HydrophobicContact CB-CZ 4.11Å; E300-F302 WeakPolarHBondContact OE2-CZ 3.23Å; E300-L341 WeakPolarHBondContact O-CA 3.47Å; E300-L341 WeakPolarHBondContact O-CD1 3.48Å; E300-T342 PolarHBondContact N-OG1 3Å; E300-T342 PolarHBondContact O-N 2.88Å; E300-T342 PolarHBondContact O-OG1 3.08Å; E300-K441 IonicContact OE1-NZ 2.58Å; E300-K441 PolarHBondContact OE1-NZ 3.32Å; E300-K441 IonicContact OE2-NZ 2.65Å; E300-K441 PolarHBondContact OE2-NZ 2.93Å
301E94.3Very high93.2Very high106 Ų10642.2 Ų42.250%0.49525%0.245SC..EExtended strand (participates in β ladder)trans-107126.5172.9-170.9-178175.700110.3I303 K339 I340 L341E301-I303 HydrophobicContact CG-CG1 4.18Å; E301-I303 WeakPolarHBondContact OE1-CD1 3.42Å; E301-K339 IonicContact OE1-NZ 3.33Å; E301-K339 PolarHBondContact OE1-NZ 3.44Å; E301-I340 CarbonylContact C-O 3.55Å; E301-L341 HydrophobicContact CB-CD1 4.06Å
302F94.4Very high93.4Very high25 Ų2546.6 Ų46.611%0.1127%0.265CS..EExtended strand (participates in β ladder)trans-114.1128.7171.3-58.8-83.9000109.6E300 K339 I340 V433 L434 N437E300-F302 HydrophobicContact CB-CE2 3.82Å; E300-F302 HydrophobicContact CB-CZ 4.11Å; E300-F302 WeakPolarHBondContact OE2-CZ 3.23Å; F302-K339 CarbonylContact O-C 3.54Å; F302-K339 VanDerWaalsContact O-CA 3.29Å; F302-K339 WeakPolarHBondContact O-CA 3.44Å; F302-I340 HydrophobicContact CB-CB 4.32Å; F302-I340 PolarHBondContact N-O 2.97Å; F302-I340 PolarHBondContact O-N 3.35Å; F302-V433 HydrophobicContact CB-CG1 4.34Å; F302-L434 HydrophobicContact CD2-CD1 3.74Å; F302-L434 HydrophobicContact CE2-CD1 3.29Å; F302-L434 HydrophobicContact CZ-CD1 4.12Å; F302-N437 HydrophobicContact CD1-CB 4.19Å; F302-N437 HydrophobicContact CE1-CB 3.44Å; F302-N437 VanDerWaalsContact CE1-CB 3.44Å; F302-N437 HydrophobicContact CZ-CB 3.85Å
303I95.3Very high93.6Very high95 Ų9546.6 Ų46.649%0.48726%0.263SS..EExtended strand (participates in β ladder)trans-118.3120.9176.4-54-179.3000107.6E301 I337 K339E301-I303 HydrophobicContact CG-CG1 4.18Å; E301-I303 WeakPolarHBondContact OE1-CD1 3.42Å; I303-I337 HydrophobicContact CG2-CD1 4.42Å; I303-I337 HydrophobicContact CG2-CG2 3.55Å; I303-K339 HydrophobicContact CD1-CD 4.48Å; I303-K339 HydrophobicContact CG1-CD 4.35Å; I303-K339 HydrophobicContact CG1-CG 4.14Å; I303-K339 HydrophobicContact CG2-CG 4.35Å
304V95.3Very high93.8Very high22 Ų2246.6 Ų46.613%0.13326%0.263CS..EExtended strand (participates in β ladder)trans-127.1129-177-1780000110.6L306 V309 I337 V338 V433V304-L306 VanDerWaalsContact C-N 3.33Å; V304-L306 PolarHBondContact O-N 2.94Å; V304-V309 HydrophobicContact CG1-CB 3.92Å; V304-V309 HydrophobicContact CG1-CG1 4.36Å; V304-V309 HydrophobicContact CG1-CG2 3.95Å; V304-I337 WeakPolarHBondContact O-CA 3.28Å; V304-V338 PolarHBondContact N-O 3.27Å; V304-V338 PolarHBondContact O-N 3.04Å; V304-V433 HydrophobicContact CG2-CG1 3.55Å; V304-V433 HydrophobicContact CG2-CG2 4.15Å
305L95.9Very high94Very high71 Ų7153.5 Ų53.537%0.37229%0.286SS..EExtended strand (participates in β ladder)trans-73.989163.4-73.4166.5000108.5D307 S308 V309 Q336 I337L305-D307 VanDerWaalsContact C-N 3.34Å; L305-D307 PolarHBondContact O-N 2.88Å; L305-S308 PolarHBondContact O-N 2.82Å; L305-S308 VanDerWaalsContact O-N 3.13Å; L305-V309 WeakPolarHBondContact O-CG2 3.34Å; L305-V309 PolarHBondContact O-N 2.88Å; L305-Q336 WeakPolarHBondContact CA-O 3.39Å; L305-I337 HydrophobicContact CD2-CD1 4.29Å; L305-I337 HydrophobicContact CD2-CG1 3.7Å
306L94.9Very high94.2Very high0 Ų057.1 Ų57.10%030%0.298CS..Hα-helixtrans-61.5-41.1-162.8-17371.5000112.4V304 S308 V309 L310 I313 A314 L317 Q336 V338 I429V304-L306 VanDerWaalsContact C-N 3.33Å; V304-L306 PolarHBondContact O-N 2.94Å; L306-S308 VanDerWaalsContact C-N 3.33Å; L306-S308 PolarHBondContact O-N 2.98Å; L306-V309 PolarHBondContact O-N 3.21Å; L306-L310 HydrophobicContact CD1-CB 4.05Å; L306-L310 HydrophobicContact CD1-CD1 4Å; L306-L310 CarbonylContact O-C 3.57Å; L306-L310 VanDerWaalsContact O-CA 3.29Å; L306-L310 WeakPolarHBondContact O-CA 3.21Å; L306-L310 PolarHBondContact O-N 3.23Å; L306-I313 HydrophobicContact CD1-CG2 4.19Å; L306-I313 HydrophobicContact CD2-CG2 4.32Å; L306-A314 HydrophobicContact CD2-CB 4.24Å; L306-A314 HydrophobicContact CG-CB 4.09Å; L306-L317 HydrophobicContact CD2-CB 4.4Å; L306-L317 HydrophobicContact CD2-CD2 3.56Å; L306-Q336 HydrophobicContact CB-CG 4.27Å; L306-Q336 PolarHBondContact N-O 3.14Å; L306-Q336 VanDerWaalsContact N-O 3.13Å; L306-V338 HydrophobicContact CB-CG2 4.11Å; L306-V338 HydrophobicContact CD2-CG2 3.84Å; L306-V338 HydrophobicContact CG-CG2 4.4Å; L306-I429 HydrophobicContact CD1-CG1 4.33Å; L306-I429 HydrophobicContact CD2-CD1 4.15Å; L306-I429 HydrophobicContact CD2-CG1 4.43Å
307D94.2Very high94.5Very high54 Ų5456 Ų5629%0.28929%0.292SS..Hα-helixtrans-70.4-30.6-179.1-166.349.6000112.9L305 P311 A314 S334 Q336L305-D307 VanDerWaalsContact C-N 3.34Å; L305-D307 PolarHBondContact O-N 2.88Å; D307-P311 WeakPolarHBondContact O-CA 3.16Å; D307-P311 WeakPolarHBondContact O-CB 3.35Å; D307-A314 VanDerWaalsContact CA-CB 3.44Å; D307-A314 HydrophobicContact CB-CB 3.79Å; D307-A314 WeakPolarHBondContact OD1-CB 3.35Å; D307-S334 VanDerWaalsContact OD2-CA 3.25Å; D307-S334 WeakPolarHBondContact OD2-CA 3.09Å; D307-S334 WeakPolarHBondContact OD2-CB 3.06Å; D307-Q336 HydrophobicContact CB-CG 4.17Å
308S93.4Very high94.7Very high84 Ų8459.4 Ų59.459%0.58731%0.307SS*.Hα-helixtrans-75.2-38.3176.7-59.10000112.6L305 L306L305-S308 PolarHBondContact O-N 2.82Å; L305-S308 VanDerWaalsContact O-N 3.13Å; L306-S308 VanDerWaalsContact C-N 3.33Å; L306-S308 PolarHBondContact O-N 2.98Å
309V93.4Very high95Very high95 Ų9561.1 Ų61.158%0.57632%0.32SS*.Hα-helixtrans-92-37.8-174.6-175.20000111.9V304 L305 L306V304-V309 HydrophobicContact CG1-CB 3.92Å; V304-V309 HydrophobicContact CG1-CG1 4.36Å; V304-V309 HydrophobicContact CG1-CG2 3.95Å; L305-V309 WeakPolarHBondContact O-CG2 3.34Å; L305-V309 PolarHBondContact O-N 2.88Å; L306-V309 PolarHBondContact O-N 3.21Å
310L95.9Very high95.3Very high41 Ų4158.9 Ų58.922%0.21531%0.306CS..  trans-137.865.2-173.3-61.4168.7000110.8L306 E312 I313 A314 V433L306-L310 HydrophobicContact CD1-CB 4.05Å; L306-L310 HydrophobicContact CD1-CD1 4Å; L306-L310 CarbonylContact O-C 3.57Å; L306-L310 VanDerWaalsContact O-CA 3.29Å; L306-L310 WeakPolarHBondContact O-CA 3.21Å; L306-L310 PolarHBondContact O-N 3.23Å; L310-E312 VanDerWaalsContact C-N 3.3Å; L310-E312 PolarHBondContact O-N 3.09Å; L310-I313 HydrophobicContact CB-CB 4.06Å; L310-I313 HydrophobicContact CB-CD1 4.17Å; L310-I313 HydrophobicContact CB-CG1 4.41Å; L310-I313 HydrophobicContact CD1-CD1 4.05Å; L310-I313 HydrophobicContact CD2-CD1 4.32Å; L310-I313 HydrophobicContact CG-CD1 4.4Å; L310-I313 PolarHBondContact O-N 3.34Å; L310-I313 VanDerWaalsContact O-N 3.11Å; L310-A314 PolarHBondContact O-N 2.71Å; L310-V433 HydrophobicContact CD1-CG2 3.69Å
311P95.6Very high95.6Very high75 Ų7557.5 Ų57.549%0.48730%0.299SS..Hα-helixtrans-58.7-35.1-170.520.2-32.9000114.3D307 A314 R315D307-P311 WeakPolarHBondContact O-CA 3.16Å; D307-P311 WeakPolarHBondContact O-CB 3.35Å; P311-A314 WeakPolarHBondContact O-CB 3.43Å; P311-A314 PolarHBondContact O-N 2.97Å; P311-R315 WeakPolarHBondContact O-CB 3.35Å; P311-R315 PolarHBondContact O-N 2.77Å
312E96.3Very high95.6Very high96 Ų9653.9 Ų53.945%0.44929%0.29SS..Hα-helixtrans-71.9-38.1179.4-178.455.9-16500112.2L310 A314 R315 R316L310-E312 VanDerWaalsContact C-N 3.3Å; L310-E312 PolarHBondContact O-N 3.09Å; E312-A314 VanDerWaalsContact C-N 3.35Å; E312-R315 VanDerWaalsContact CD-NH2 3.3Å; E312-R315 PolarHBondContact O-N 3.29Å; E312-R315 IonicContact OE1-CZ 3.61Å; E312-R315 IonicContact OE1-NE 3.74Å; E312-R315 IonicContact OE1-NH2 2.68Å; E312-R315 PolarHBondContact OE1-NH2 3.47Å; E312-R315 IonicContact OE2-CZ 3.42Å; E312-R315 IonicContact OE2-NE 2.9Å; E312-R315 PolarHBondContact OE2-NE 2.99Å; E312-R315 IonicContact OE2-NH2 3.11Å; E312-R315 PolarHBondContact OE2-NH2 2.92Å; E312-R315 VanDerWaalsContact OE2-NH2 3.11Å; E312-R316 WeakPolarHBondContact O-CG 3.46Å; E312-R316 PolarHBondContact O-N 3.11Å
313I96.8Very high95.7Very high12 Ų1259.3 Ų59.36%0.06232%0.32CS..Hα-helixtrans-67.5-40.7174-65.4177.2000109.5L306 L310 R315 R316 L317 I425 E428 I429 S432L306-I313 HydrophobicContact CD1-CG2 4.19Å; L306-I313 HydrophobicContact CD2-CG2 4.32Å; L310-I313 HydrophobicContact CB-CB 4.06Å; L310-I313 HydrophobicContact CB-CD1 4.17Å; L310-I313 HydrophobicContact CB-CG1 4.41Å; L310-I313 HydrophobicContact CD1-CD1 4.05Å; L310-I313 HydrophobicContact CD2-CD1 4.32Å; L310-I313 HydrophobicContact CG-CD1 4.4Å; L310-I313 PolarHBondContact O-N 3.34Å; L310-I313 VanDerWaalsContact O-N 3.11Å; I313-R315 PolarHBondContact O-N 3.36Å; I313-R316 PolarHBondContact O-N 2.86Å; I313-L317 WeakPolarHBondContact O-CB 3.49Å; I313-L317 PolarHBondContact O-N 3.2Å; I313-I425 HydrophobicContact CB-CD1 4.46Å; I313-I425 HydrophobicContact CG2-CD1 3.74Å; I313-I425 HydrophobicContact CG2-CG1 4.5Å; I313-E428 HydrophobicContact CD1-CG 3.89Å; I313-E428 HydrophobicContact CG1-CG 4.2Å; I313-I429 HydrophobicContact CG2-CD1 4.19Å; I313-I429 HydrophobicContact CG2-CG1 3.37Å; I313-S432 VanDerWaalsContact CD1-OG 3.29Å; I313-S432 WeakPolarHBondContact CD1-OG 3.4Å
314A96.6Very high95.6Very high1 Ų157 Ų571%0.00831%0.308CS..Hα-helixtrans-56.2-48.7173.200000113.2L306 D307 L310 P311 E312 R316 L317 K318 Q336L306-A314 HydrophobicContact CD2-CB 4.24Å; L306-A314 HydrophobicContact CG-CB 4.09Å; D307-A314 VanDerWaalsContact CA-CB 3.44Å; D307-A314 HydrophobicContact CB-CB 3.79Å; D307-A314 WeakPolarHBondContact OD1-CB 3.35Å; L310-A314 PolarHBondContact O-N 2.71Å; P311-A314 WeakPolarHBondContact O-CB 3.43Å; P311-A314 PolarHBondContact O-N 2.97Å; E312-A314 VanDerWaalsContact C-N 3.35Å; A314-R316 PolarHBondContact O-N 3.14Å; A314-L317 PolarHBondContact O-N 2.81Å; A314-K318 PolarHBondContact O-N 3.18Å; A314-Q336 VanDerWaalsContact CA-NE2 3.35Å
315R95.7Very high95.7Very high157 Ų15758.2 Ų58.259%0.59231%0.314SS*.Hα-helixtrans-61.4-43177.2-172.4179.371.999.4-0.1111.9P311 E312 I313 K318 S319P311-R315 WeakPolarHBondContact O-CB 3.35Å; P311-R315 PolarHBondContact O-N 2.77Å; E312-R315 VanDerWaalsContact CD-NH2 3.3Å; E312-R315 PolarHBondContact O-N 3.29Å; E312-R315 IonicContact OE1-CZ 3.61Å; E312-R315 IonicContact OE1-NE 3.74Å; E312-R315 IonicContact OE1-NH2 2.68Å; E312-R315 PolarHBondContact OE1-NH2 3.47Å; E312-R315 IonicContact OE2-CZ 3.42Å; E312-R315 IonicContact OE2-NE 2.9Å; E312-R315 PolarHBondContact OE2-NE 2.99Å; E312-R315 IonicContact OE2-NH2 3.11Å; E312-R315 PolarHBondContact OE2-NH2 2.92Å; E312-R315 VanDerWaalsContact OE2-NH2 3.11Å; I313-R315 PolarHBondContact O-N 3.36Å; R315-K318 PolarHBondContact O-N 3.04Å; R315-S319 PolarHBondContact O-N 3.41Å
316R96.9Very high95.7Very high89 Ų8961.6 Ų61.634%0.33633%0.327SS..Hα-helixtrans-68.4-39.1177.3-73.5176.258.9-151.8-14.7112.2E312 I313 A314 K318 S319 S320 I425 E428E312-R316 WeakPolarHBondContact O-CG 3.46Å; E312-R316 PolarHBondContact O-N 3.11Å; I313-R316 PolarHBondContact O-N 2.86Å; A314-R316 PolarHBondContact O-N 3.14Å; R316-K318 PolarHBondContact O-N 3.33Å; R316-S319 WeakPolarHBondContact O-CB 3.05Å; R316-S319 PolarHBondContact O-N 2.9Å; R316-S320 PolarHBondContact O-N 3.15Å; R316-S320 PolarHBondContact O-OG 2.96Å; R316-I425 HydrophobicContact CB-CD1 3.68Å; R316-I425 HydrophobicContact CB-CG1 4.48Å; R316-E428 IonicContact CZ-OE1 3.34Å; R316-E428 IonicContact CZ-OE2 2.78Å; R316-E428 IonicContact NH1-OE1 3.87Å; R316-E428 PolarHBondContact NH1-OE1 2.87Å; R316-E428 IonicContact NH1-OE2 3.31Å; R316-E428 PolarHBondContact NH1-OE2 3.35Å; R316-E428 IonicContact NH2-OE2 3.62Å; R316-E428 PolarHBondContact NH2-OE2 2.85Å
317L96.8Very high95.7Very high0 Ų069.4 Ų69.40%036%0.361CS..Hα-helixtrans-59.4-47173179.364.2000111L306 I313 A314 S319 S320 I321 V338 V365 I425 I429L306-L317 HydrophobicContact CD2-CB 4.4Å; L306-L317 HydrophobicContact CD2-CD2 3.56Å; I313-L317 WeakPolarHBondContact O-CB 3.49Å; I313-L317 PolarHBondContact O-N 3.2Å; A314-L317 PolarHBondContact O-N 2.81Å; L317-S319 VanDerWaalsContact C-N 3.33Å; L317-S319 PolarHBondContact O-N 3.48Å; L317-S320 PolarHBondContact O-N 3.06Å; L317-I321 HydrophobicContact CD1-CD1 3.88Å; L317-I321 HydrophobicContact CD1-CG1 4.32Å; L317-I321 HydrophobicContact CG-CD1 3.83Å; L317-I321 WeakPolarHBondContact O-CG1 3.21Å; L317-I321 PolarHBondContact O-N 3.02Å; L317-V338 HydrophobicContact CD2-CG2 4.27Å; L317-V365 HydrophobicContact CD2-CG1 4.17Å; L317-I425 HydrophobicContact CB-CG1 3.91Å; L317-I425 HydrophobicContact CD1-CG1 4.25Å; L317-I425 HydrophobicContact CD1-CG2 4Å; L317-I429 HydrophobicContact CD1-CD1 4.27Å; L317-I429 HydrophobicContact CD2-CD1 4.09Å
318K96.4Very high95.7Very high77 Ų7767 Ų6734%0.33535%0.349SS..Hα-helixtrans-57.6-45.7174.4179.5169.5-179.9151.90111.8A314 R315 R316 S320 I321 G322 A329 L332A314-K318 PolarHBondContact O-N 3.18Å; R315-K318 PolarHBondContact O-N 3.04Å; R316-K318 PolarHBondContact O-N 3.33Å; K318-S320 PolarHBondContact O-N 2.98Å; K318-I321 PolarHBondContact O-N 3.27Å; K318-G322 PolarHBondContact O-N 2.91Å; K318-A329 WeakPolarHBondContact CE-O 3.33Å; K318-A329 HydrophobicContact CG-CB 4.12Å; K318-A329 PolarHBondContact NZ-O 3.15Å; K318-A329 WeakPolarHBondContact O-CB 3.2Å; K318-L332 HydrophobicContact CB-CD1 4.12Å; K318-L332 HydrophobicContact CD-CB 4.33Å; K318-L332 HydrophobicContact CG-CB 4.44Å; K318-L332 HydrophobicContact CG-CD1 4.35Å; K318-L332 PolarHBondContact NZ-O 3.02Å
319S96.4Very high95.8Very high81 Ų8163.2 Ų63.257%0.56632%0.323SS*.Hα-helixtrans-61.1-43.8176.1-171.50000112.5R315 R316 L317 G322 L323R315-S319 PolarHBondContact O-N 3.41Å; R316-S319 WeakPolarHBondContact O-CB 3.05Å; R316-S319 PolarHBondContact O-N 2.9Å; L317-S319 VanDerWaalsContact C-N 3.33Å; L317-S319 PolarHBondContact O-N 3.48Å; S319-G322 PolarHBondContact O-N 2.99Å; S319-L323 PolarHBondContact O-N 3Å
320S96Very high95.8Very high26 Ų2664 Ų6418%0.18232%0.324CS..Hα-helixtrans-66.4-38.2178.4-64.70000112.2R316 L317 K318 G322 L323R316-S320 PolarHBondContact O-N 3.15Å; R316-S320 PolarHBondContact O-OG 2.96Å; L317-S320 PolarHBondContact O-N 3.06Å; K318-S320 PolarHBondContact O-N 2.98Å; S320-G322 VanDerWaalsContact C-N 3.31Å; S320-L323 WeakPolarHBondContact O-CB 3.43Å; S320-L323 PolarHBondContact O-N 3.4Å
321I96.5Very high95.7Very high0 Ų068.7 Ų68.70%034%0.343CS..Hα-helixtrans-68-33.1173.6-68.7167.4000110.8L317 K318 L323 I324 N325 A328 A329 L332 V365 F376 I414 L422L317-I321 HydrophobicContact CD1-CD1 3.88Å; L317-I321 HydrophobicContact CD1-CG1 4.32Å; L317-I321 HydrophobicContact CG-CD1 3.83Å; L317-I321 WeakPolarHBondContact O-CG1 3.21Å; L317-I321 PolarHBondContact O-N 3.02Å; K318-I321 PolarHBondContact O-N 3.27Å; I321-L323 PolarHBondContact O-N 3.13Å; I321-I324 CarbonylContact O-C 3.52Å; I321-I324 WeakPolarHBondContact O-CA 3.36Å; I321-I324 WeakPolarHBondContact O-CB 3.5Å; I321-I324 PolarHBondContact O-N 3.48Å; I321-N325 PolarHBondContact O-N 3.09Å; I321-A328 HydrophobicContact CG2-CB 4.01Å; I321-A329 HydrophobicContact CB-CB 4.47Å; I321-A329 HydrophobicContact CG2-CB 4.17Å; I321-L332 HydrophobicContact CB-CD1 4.32Å; I321-L332 HydrophobicContact CD1-CD1 3.53Å; I321-L332 HydrophobicContact CG2-CD1 4.39Å; I321-V365 HydrophobicContact CD1-CG1 4.45Å; I321-F376 HydrophobicContact CD1-CE1 3.69Å; I321-F376 HydrophobicContact CD1-CZ 3.8Å; I321-F376 HydrophobicContact CG1-CE1 3.96Å; I321-F376 HydrophobicContact CG1-CZ 4.14Å; I321-I414 HydrophobicContact CG2-CD1 4.42Å; I321-L422 HydrophobicContact CG1-CD2 4.3Å
322G96Very high95.5Very high30 Ų3065.4 Ų65.431%0.30932%0.321SS..Hα-helixtrans-60.5-31.6175.800000113.5K318 S319 S320 I324K318-G322 PolarHBondContact O-N 2.91Å; S319-G322 PolarHBondContact O-N 2.99Å; S320-G322 VanDerWaalsContact C-N 3.31Å; G322-I324 PolarHBondContact O-N 2.64Å
323L94.8Very high95Very high139 Ų13962.5 Ų62.573%0.72832%0.317SS*.THydrogen-bonded Turntrans-67.1-21.1173.1-60176.4000113.1S319 S320 I321 V421S319-L323 PolarHBondContact O-N 3Å; S320-L323 WeakPolarHBondContact O-CB 3.43Å; S320-L323 PolarHBondContact O-N 3.4Å; I321-L323 PolarHBondContact O-N 3.13Å; L323-V421 HydrophobicContact CD1-CG1 4.44Å
324I94.9Very high94.6Very high46 Ų4665.6 Ų65.624%0.23634%0.339CS..THydrogen-bonded Turntrans-97.5-50.7-179.4-61.1164.3000110.1I321 G322 I414 F417 V421 L422I321-I324 CarbonylContact O-C 3.52Å; I321-I324 WeakPolarHBondContact O-CA 3.36Å; I321-I324 WeakPolarHBondContact O-CB 3.5Å; I321-I324 PolarHBondContact O-N 3.48Å; G322-I324 PolarHBondContact O-N 2.64Å; I324-I414 HydrophobicContact CG2-CD1 4.32Å; I324-F417 HydrophobicContact CD1-CB 4.48Å; I324-F417 HydrophobicContact CD1-CD2 3.68Å; I324-F417 HydrophobicContact CD1-CE2 4.02Å; I324-F417 HydrophobicContact CD1-CG 4.06Å; I324-F417 HydrophobicContact CG1-CB 4.41Å; I324-F417 HydrophobicContact CG1-CD2 4.46Å; I324-F417 HydrophobicContact CG1-CG 4.5Å; I324-F417 HydrophobicContact CG2-CB 3.43Å; I324-F417 VanDerWaalsContact CG2-CB 3.43Å; I324-F417 HydrophobicContact CG2-CD1 3.87Å; I324-F417 HydrophobicContact CG2-CD2 4.41Å; I324-F417 HydrophobicContact CG2-CG 3.67Å; I324-V421 HydrophobicContact CD1-CG1 4.44Å; I324-V421 HydrophobicContact CG1-CG1 4.31Å; I324-L422 HydrophobicContact CD1-CD1 4.15Å; I324-L422 HydrophobicContact CD1-CD2 3.75Å; I324-L422 HydrophobicContact CD1-CG 3.88Å
325N96.2Very high94.4Very high48 Ų4868.2 Ų68.226%0.25736%0.355SS..  trans-155.5103.2-175.8-171.1-39.3000110.6I321 K327 A328 A329 I414I321-N325 PolarHBondContact O-N 3.09Å; N325-K327 PolarHBondContact O-N 2.88Å; N325-K327 PolarHBondContact OD1-N 3.44Å; N325-A328 HydrophobicContact CB-CB 3.91Å; N325-A328 WeakPolarHBondContact O-CB 3.35Å; N325-A328 PolarHBondContact O-N 2.69Å; N325-A328 VanDerWaalsContact O-N 3.09Å; N325-A328 PolarHBondContact OD1-N 3.04Å; N325-A328 VanDerWaalsContact OD1-N 3.11Å; N325-A329 PolarHBondContact O-N 3.48Å; N325-A329 VanDerWaalsContact O-N 3.1Å; N325-I414 HydrophobicContact CB-CB 4.44Å; N325-I414 HydrophobicContact CB-CD1 4.44Å; N325-I414 PolarHBondContact ND2-O 3.21Å
326E95.4Very high94.3Very high142 Ų14261 Ų6166%0.66433%0.328SS*.Hα-helixtrans-56-45-179.9-169.4176.1-162.900112.6A328 A329 D330E326-A328 PolarHBondContact O-N 3.3Å; E326-A329 WeakPolarHBondContact O-CB 3.35Å; E326-A329 PolarHBondContact O-N 3.2Å; E326-A329 VanDerWaalsContact O-N 3.08Å; E326-D330 PolarHBondContact O-N 3.36Å
327K95Very high94.3Very high164 Ų16457.8 Ų57.871%0.71332%0.318SS*.Hα-helixtrans-63.1-30.2178.6-64.9-179.1-178.9176.80112.9N325 K331N325-K327 PolarHBondContact O-N 2.88Å; N325-K327 PolarHBondContact OD1-N 3.44Å; K327-K331 WeakPolarHBondContact O-CG 3.48Å
328A94.3Very high94.3Very high3 Ų357.9 Ų57.93%0.02532%0.318CS..Hα-helixtrans-74.5-40.2175.100000111.3I321 N325 E326 D330 K331 I414I321-A328 HydrophobicContact CG2-CB 4.01Å; N325-A328 HydrophobicContact CB-CB 3.91Å; N325-A328 WeakPolarHBondContact O-CB 3.35Å; N325-A328 PolarHBondContact O-N 2.69Å; N325-A328 VanDerWaalsContact O-N 3.09Å; N325-A328 PolarHBondContact OD1-N 3.04Å; N325-A328 VanDerWaalsContact OD1-N 3.11Å; E326-A328 PolarHBondContact O-N 3.3Å; A328-D330 VanDerWaalsContact C-N 3.33Å; A328-D330 PolarHBondContact O-N 2.93Å; A328-K331 WeakPolarHBondContact O-CB 3.13Å; A328-K331 PolarHBondContact O-N 2.8Å; A328-I414 HydrophobicContact CB-CB 4.02Å; A328-I414 HydrophobicContact CB-CD1 4.22Å; A328-I414 HydrophobicContact CB-CG2 3.48Å; A328-I414 VanDerWaalsContact CB-CG2 3.48Å
329A95.4Very high94.4Very high5 Ų556.9 Ų56.94%0.04131%0.314CS..Hα-helixtrans-62.4-40.6175.600000111.9K318 I321 N325 E326 K331 L332K318-A329 WeakPolarHBondContact CE-O 3.33Å; K318-A329 HydrophobicContact CG-CB 4.12Å; K318-A329 PolarHBondContact NZ-O 3.15Å; K318-A329 WeakPolarHBondContact O-CB 3.2Å; I321-A329 HydrophobicContact CB-CB 4.47Å; I321-A329 HydrophobicContact CG2-CB 4.17Å; N325-A329 PolarHBondContact O-N 3.48Å; N325-A329 VanDerWaalsContact O-N 3.1Å; E326-A329 WeakPolarHBondContact O-CB 3.35Å; E326-A329 PolarHBondContact O-N 3.2Å; E326-A329 VanDerWaalsContact O-N 3.08Å; A329-K331 PolarHBondContact O-N 2.88Å; A329-L332 WeakPolarHBondContact O-CB 3.47Å; A329-L332 PolarHBondContact O-N 3.09Å
330D94.6Very high94.5Very high111 Ų11153.1 Ų53.159%0.59429%0.287SS*.Hα-helixtrans-62.8-29.7177.4-70.8-22.4000113.1E326 A328 L332E326-D330 PolarHBondContact O-N 3.36Å; A328-D330 VanDerWaalsContact C-N 3.33Å; A328-D330 PolarHBondContact O-N 2.93Å; D330-L332 VanDerWaalsContact C-N 3.29Å; D330-L332 PolarHBondContact O-N 2.92Å
331K92.6Very high94.5Very high141 Ų14154.7 Ų54.761%0.61329%0.294SS*.Hα-helixtrans-73.6-18.1175.6-71.1175.7-178.3-174.60113.5K327 A328 A329 G333 A367K327-K331 WeakPolarHBondContact O-CG 3.48Å; A328-K331 WeakPolarHBondContact O-CB 3.13Å; A328-K331 PolarHBondContact O-N 2.8Å; A329-K331 PolarHBondContact O-N 2.88Å; K331-G333 PolarHBondContact O-N 2.74Å; K331-G333 VanDerWaalsContact O-N 3.1Å; K331-A367 HydrophobicContact CB-CB 4.12Å
332L92.7Very high94.4Very high5 Ų555 Ų553%0.02630%0.295CS..  trans-72.5104.9175.5-67.2162.7000109K318 I321 A329 D330 Q336 V365 L375K318-L332 HydrophobicContact CB-CD1 4.12Å; K318-L332 HydrophobicContact CD-CB 4.33Å; K318-L332 HydrophobicContact CG-CB 4.44Å; K318-L332 HydrophobicContact CG-CD1 4.35Å; K318-L332 PolarHBondContact NZ-O 3.02Å; I321-L332 HydrophobicContact CB-CD1 4.32Å; I321-L332 HydrophobicContact CD1-CD1 3.53Å; I321-L332 HydrophobicContact CG2-CD1 4.39Å; A329-L332 WeakPolarHBondContact O-CB 3.47Å; A329-L332 PolarHBondContact O-N 3.09Å; D330-L332 VanDerWaalsContact C-N 3.29Å; D330-L332 PolarHBondContact O-N 2.92Å; L332-Q336 HydrophobicContact CD2-CB 4.06Å; L332-V365 HydrophobicContact CD2-CG1 4.19Å; L332-L375 HydrophobicContact CD2-CD1 3.77Å; L332-L375 HydrophobicContact CG-CD1 4.1Å
333G84.8Confident94.2Very high36 Ų3656.9 Ų56.937%0.37130%0.296SS..  trans-100.9-173.6175.900000112.6K331 T335 Q336 A367K331-G333 PolarHBondContact O-N 2.74Å; K331-G333 VanDerWaalsContact O-N 3.1Å; G333-T335 PolarHBondContact O-N 3.44Å; G333-Q336 WeakPolarHBondContact O-CB 2.99Å; G333-Q336 WeakPolarHBondContact O-CG 3.36Å; G333-Q336 PolarHBondContact O-N 2.83Å; G333-A367 PolarHBondContact N-O 2.82Å
334S89.2Confident93.8Very high76 Ų7655.6 Ų55.653%0.53129%0.29SS..THydrogen-bonded Turntrans-68-16-17756.90000114.8D307D307-S334 VanDerWaalsContact OD2-CA 3.25Å; D307-S334 WeakPolarHBondContact OD2-CA 3.09Å; D307-S334 WeakPolarHBondContact OD2-CB 3.06Å
335T92Very high93.3Very high56 Ų5657.2 Ų57.234%0.34430%0.302SS..THydrogen-bonded Turntrans-10218.5178.360.60000112.3G333 S368 S369G333-T335 PolarHBondContact O-N 3.44Å; T335-S368 CarbonylContact O-C 3.3Å; T335-S368 VanDerWaalsContact O-C 3.3Å; T335-S368 WeakPolarHBondContact O-CA 3.37Å; T335-S368 WeakPolarHBondContact OG1-CB 3.13Å; T335-S369 PolarHBondContact O-N 2.97Å
336Q94.4Very high93.1Very high5 Ų555.4 Ų55.42%0.02329%0.293CS..  trans-57.8141.7177.263.9176.70.400111.1L305 L306 D307 A314 L332 G333 F366L305-Q336 WeakPolarHBondContact CA-O 3.39Å; L306-Q336 HydrophobicContact CB-CG 4.27Å; L306-Q336 PolarHBondContact N-O 3.14Å; L306-Q336 VanDerWaalsContact N-O 3.13Å; D307-Q336 HydrophobicContact CB-CG 4.17Å; A314-Q336 VanDerWaalsContact CA-NE2 3.35Å; L332-Q336 HydrophobicContact CD2-CB 4.06Å; G333-Q336 WeakPolarHBondContact O-CB 2.99Å; G333-Q336 WeakPolarHBondContact O-CG 3.36Å; G333-Q336 PolarHBondContact O-N 2.83Å; Q336-F366 WeakPolarHBondContact CA-O 3.02Å
337I96.3Very high92.9Very high23 Ų2353.2 Ų53.212%0.11828%0.283CS..EExtended strand (participates in β ladder)trans-114.8135.2-179.7-66.8-177.1000109.1I303 V304 L305 K339 F366I303-I337 HydrophobicContact CG2-CD1 4.42Å; I303-I337 HydrophobicContact CG2-CG2 3.55Å; V304-I337 WeakPolarHBondContact O-CA 3.28Å; L305-I337 HydrophobicContact CD2-CD1 4.29Å; L305-I337 HydrophobicContact CD2-CG1 3.7Å; I337-K339 HydrophobicContact CG2-CG 3.9Å; I337-F366 HydrophobicContact CB-CB 4.14Å; I337-F366 HydrophobicContact CG2-CD2 4.46Å; I337-F366 PolarHBondContact N-O 2.71Å; I337-F366 VanDerWaalsContact N-O 3.14Å; I337-F366 PolarHBondContact O-N 3.19Å
338V97.7Very high92.7Very high2 Ų245.8 Ų45.81%0.01225%0.251CS..EExtended strand (participates in β ladder)trans-110126.1160.2179.60000108.4V304 L306 L317 I340 L363 E364 V365 I429V304-V338 PolarHBondContact N-O 3.27Å; V304-V338 PolarHBondContact O-N 3.04Å; L306-V338 HydrophobicContact CB-CG2 4.11Å; L306-V338 HydrophobicContact CD2-CG2 3.84Å; L306-V338 HydrophobicContact CG-CG2 4.4Å; L317-V338 HydrophobicContact CD2-CG2 4.27Å; V338-I340 HydrophobicContact CG1-CG1 4.02Å; V338-L363 HydrophobicContact CG1-CD1 4.11Å; V338-L363 HydrophobicContact CG1-CD2 3.98Å; V338-L363 HydrophobicContact CG1-CG 3.88Å; V338-E364 WeakPolarHBondContact CA-O 3.45Å; V338-V365 HydrophobicContact CG2-CG2 4.39Å; V338-I429 HydrophobicContact CG1-CG2 4.16Å
339K97.6Very high92.4Very high56 Ų5650.4 Ų50.424%0.24327%0.27CS..EExtended strand (participates in β ladder)trans-102.3134168.9-58.4-167.2170.9-160.20109.6E301 F302 I303 I337 L363 E364 F366E301-K339 IonicContact OE1-NZ 3.33Å; E301-K339 PolarHBondContact OE1-NZ 3.44Å; F302-K339 CarbonylContact O-C 3.54Å; F302-K339 VanDerWaalsContact O-CA 3.29Å; F302-K339 WeakPolarHBondContact O-CA 3.44Å; I303-K339 HydrophobicContact CD1-CD 4.48Å; I303-K339 HydrophobicContact CG1-CD 4.35Å; I303-K339 HydrophobicContact CG1-CG 4.14Å; I303-K339 HydrophobicContact CG2-CG 4.35Å; I337-K339 HydrophobicContact CG2-CG 3.9Å; K339-L363 CarbonylContact O-C 3.6Å; K339-L363 VanDerWaalsContact O-CA 3.31Å; K339-L363 WeakPolarHBondContact O-CA 3.46Å; K339-E364 HydrophobicContact CB-CB 4.24Å; K339-E364 PolarHBondContact N-O 2.86Å; K339-E364 PolarHBondContact O-N 2.83Å; K339-F366 HydrophobicContact CD-CE2 3.81Å; K339-F366 HydrophobicContact CD-CZ 4.4Å; K339-F366 HydrophobicContact CG-CD2 4.32Å; K339-F366 HydrophobicContact CG-CE2 3.94Å
340I97.8Very high91.8Very high1 Ų151.6 Ų51.61%0.00528%0.277CS..EExtended strand (participates in β ladder)trans-124.9117177.3-51.1178.4000106.9E301 F302 V338 I361 L363 I429 V433E301-I340 CarbonylContact C-O 3.55Å; F302-I340 HydrophobicContact CB-CB 4.32Å; F302-I340 PolarHBondContact N-O 2.97Å; F302-I340 PolarHBondContact O-N 3.35Å; V338-I340 HydrophobicContact CG1-CG1 4.02Å; I340-I361 HydrophobicContact CG2-CG2 3.55Å; I340-L363 HydrophobicContact CG1-CD1 4.26Å; I340-L363 HydrophobicContact CG1-CG 4.49Å; I340-I429 HydrophobicContact CD1-CG2 3.98Å; I340-V433 HydrophobicContact CD1-CB 3.85Å; I340-V433 HydrophobicContact CD1-CG1 3.78Å
341L96.7Very high90.9Very high60 Ų6051.4 Ų51.431%0.31428%0.276SS..EExtended strand (participates in β ladder)trans-119115180175.361000109E300 E301 Q343 I361 V362E300-L341 WeakPolarHBondContact O-CA 3.47Å; E300-L341 WeakPolarHBondContact O-CD1 3.48Å; E301-L341 HydrophobicContact CB-CD1 4.06Å; L341-Q343 VanDerWaalsContact CG-NE2 3.28Å; L341-I361 CarbonylContact O-C 3.59Å; L341-I361 WeakPolarHBondContact O-CA 3.42Å; L341-V362 HydrophobicContact CB-CB 4.35Å; L341-V362 PolarHBondContact N-O 2.83Å; L341-V362 PolarHBondContact O-N 3.33Å
342T95.1Very high89.8Confident6 Ų651.1 Ų51.14%0.03728%0.277CS..EExtended strand (participates in β ladder)trans-74.8127.9169.154.30000108.9E300 I361 L434E300-T342 PolarHBondContact N-OG1 3Å; E300-T342 PolarHBondContact O-N 2.88Å; E300-T342 PolarHBondContact O-OG1 3.08Å; T342-I361 HydrophobicContact CG2-CG1 4.25Å; T342-L434 HydrophobicContact CG2-CD1 3.85Å; T342-L434 HydrophobicContact CG2-CD2 4.03Å
343Q90.9Very high88.8Confident70 Ų7053 Ų5333%0.32730%0.297SS..EExtended strand (participates in β ladder)trans-98.6143.4-179.6-65.4-69.3-43.900109.7L341 L360 V362L341-Q343 VanDerWaalsContact CG-NE2 3.28Å; Q343-L360 HydrophobicContact CB-CB 3.92Å; Q343-L360 PolarHBondContact N-O 2.94Å; Q343-V362 HydrophobicContact CG-CG2 3.67Å
344D86.9Confident88.7Confident111 Ų11157.3 Ų57.359%0.59431%0.308SS*.EExtended strand (participates in β ladder)trans52.2-175.4175.8-61.9-40.2000114P299P299-D344 WeakPolarHBondContact CG-O 3.32Å
345T84.3Confident88.8Confident81 Ų8153.8 Ų53.850%0.49728%0.283SS..EExtended strand (participates in β ladder)trans-79.5132.8176.8-54.80000110A294A294-T345 HydrophobicContact CB-CG2 3.09Å
346P91.4Very high88.9Confident10 Ų1057.1 Ų57.17%0.06529%0.289CS..EExtended strand (participates in β ladder)trans-58.8147.4177.418.7-28.3000112.3L297 V357 A358 Q359L297-P346 HydrophobicContact CB-CG 3.71Å; L297-P346 HydrophobicContact CD1-CG 4.42Å; L297-P346 WeakPolarHBondContact O-CD 3.23Å; L297-P346 WeakPolarHBondContact O-CG 3.39Å; P346-V357 HydrophobicContact CB-CG1 3.79Å; P346-A358 WeakPolarHBondContact CA-O 3.42Å; P346-Q359 HydrophobicContact CB-CG 3.81Å
347E91.4Very high89Confident95 Ų9556.9 Ų56.944%0.44429%0.288SS..EExtended strand (participates in β ladder)trans-94.1123.3172.7-69.2-140.8-134.900110.8K290 F349 V357 A358K290-E347 IonicContact NZ-OE2 3.93Å; K290-E347 PolarHBondContact NZ-OE2 3.43Å; E347-F349 HydrophobicContact CB-CD2 4.4Å; E347-F349 HydrophobicContact CB-CE2 3.49Å; E347-F349 VanDerWaalsContact CB-CE2 3.49Å; E347-F349 HydrophobicContact CB-CZ 3.66Å; E347-F349 HydrophobicContact CG-CZ 4.43Å; E347-V357 CarbonylContact O-C 3.55Å; E347-V357 WeakPolarHBondContact O-CA 3.33Å; E347-A358 HydrophobicContact CB-CB 4.4Å; E347-A358 PolarHBondContact N-O 3.02Å; E347-A358 PolarHBondContact O-N 3.2Å
348F90.9Very high88.9Confident9 Ų956.9 Ų56.94%0.03929%0.292CS..EExtended strand (participates in β ladder)trans-100.5130175.3179.8-101.2000110.2V289 K290 V293 T350 A355 V357 A386 F388V289-F348 HydrophobicContact CB-CE1 4.45Å; V289-F348 HydrophobicContact CG1-CD1 4.23Å; V289-F348 HydrophobicContact CG1-CE1 3.63Å; V289-F348 HydrophobicContact CG1-CZ 4.02Å; K290-F348 HydrophobicContact CB-CB 4.25Å; K290-F348 HydrophobicContact CB-CD1 4.32Å; K290-F348 HydrophobicContact CG-CB 4.12Å; V293-F348 HydrophobicContact CB-CB 4.36Å; V293-F348 HydrophobicContact CB-CD2 4.37Å; V293-F348 HydrophobicContact CB-CG 4.41Å; V293-F348 HydrophobicContact CG1-CB 4.3Å; V293-F348 HydrophobicContact CG1-CD2 4.11Å; V293-F348 HydrophobicContact CG1-CG 4.47Å; V293-F348 HydrophobicContact CG2-CD2 3.98Å; V293-F348 HydrophobicContact CG2-CE2 4.25Å; V293-F348 HydrophobicContact CG2-CG 4.24Å; F348-T350 HydrophobicContact CD1-CG2 4.33Å; F348-T350 HydrophobicContact CE1-CG2 3.33Å; F348-T350 HydrophobicContact CZ-CG2 3.47Å; F348-T350 VanDerWaalsContact CZ-CG2 3.47Å; F348-A355 HydrophobicContact CE2-CB 3.58Å; F348-A355 HydrophobicContact CZ-CB 3.61Å; F348-V357 HydrophobicContact CD2-CG2 3.85Å; F348-A386 HydrophobicContact CE2-CB 4.14Å; F348-F388 AromaticContact CE2-CE2 3.86Å; F348-F388 HydrophobicContact CE2-CE2 3.86Å; F348-F388 HydrophobicContact CE2-CZ 4.26Å; F348-F388 AromaticContact CZ-CE2 3.67Å; F348-F388 HydrophobicContact CZ-CE2 3.67Å; F348-F388 HydrophobicContact CZ-CZ 4.21Å
349F87.8Confident88.8Confident99 Ų9957.4 Ų57.443%0.43429%0.294SS..EExtended strand (participates in β ladder)trans-125.8146.1179.1-57.1-82.9000110.5E347 A355 R356 A358E347-F349 HydrophobicContact CB-CD2 4.4Å; E347-F349 HydrophobicContact CB-CE2 3.49Å; E347-F349 VanDerWaalsContact CB-CE2 3.49Å; E347-F349 HydrophobicContact CB-CZ 3.66Å; E347-F349 HydrophobicContact CG-CZ 4.43Å; F349-A355 CarbonylContact O-C 3.58Å; F349-A355 VanDerWaalsContact O-CA 3.23Å; F349-A355 WeakPolarHBondContact O-CA 3.46Å; F349-R356 PolarHBondContact N-O 3.08Å; F349-R356 PolarHBondContact O-N 3.34Å; F349-A358 HydrophobicContact CD2-CB 4.38Å; F349-A358 HydrophobicContact CE2-CB 3.77Å
350T82.7Confident88.7Confident31 Ų3158.7 Ų58.719%0.1930%0.303CS..EExtended strand (participates in β ladder)trans-134.1129178.634.60000110.1Q286 F348 H354 A355 L463Q286-T350 PolarHBondContact NE2-OG1 3.1Å; Q286-T350 PolarHBondContact OE1-OG1 2.79Å; F348-T350 HydrophobicContact CD1-CG2 4.33Å; F348-T350 HydrophobicContact CE1-CG2 3.33Å; F348-T350 HydrophobicContact CZ-CG2 3.47Å; F348-T350 VanDerWaalsContact CZ-CG2 3.47Å; T350-H354 WeakPolarHBondContact CA-O 3.38Å; T350-A355 HydrophobicContact CG2-CB 3.97Å; T350-L463 HydrophobicContact CG2-CD1 4.4Å; T350-L463 HydrophobicContact CG2-CD2 3.93Å
351D76.3Confident88.6Confident107 Ų10758.7 Ų58.757%0.57230%0.303SS*.EExtended strand (participates in β ladder)trans-140.9118173.4-174.318.8000110G353 H354D351-G353 VanDerWaalsContact C-N 3.3Å; D351-G353 PolarHBondContact O-N 3.36Å; D351-G353 VanDerWaalsContact O-N 3.08Å; D351-H354 PolarHBondContact N-O 3.43Å; D351-H354 WeakPolarHBondContact O-CB 3.24Å; D351-H354 PolarHBondContact O-N 3.35Å
352Q69.1Low88.7Confident135 Ų13557 Ų5763%0.63130%0.295SS*.THydrogen-bonded Turntrans44.346.9171.4-67.1-178.833.900115.4H354Q352-H354 VanDerWaalsContact C-N 3.35Å
353G71.4Confident88.8Confident44 Ų4456.7 Ų56.745%0.45429%0.294SS..THydrogen-bonded Turntrans90.6-7.5177.300000114.7D351D351-G353 VanDerWaalsContact C-N 3.3Å; D351-G353 PolarHBondContact O-N 3.36Å; D351-G353 VanDerWaalsContact O-N 3.08Å
354H83.8Confident89.2Confident127 Ų12755.9 Ų55.959%0.58829%0.29SS*.EExtended strand (participates in β ladder)trans-97.3142.9169.8-58.6-78.8000110T350 D351 Q352T350-H354 WeakPolarHBondContact CA-O 3.38Å; D351-H354 PolarHBondContact N-O 3.43Å; D351-H354 WeakPolarHBondContact O-CB 3.24Å; D351-H354 PolarHBondContact O-N 3.35Å; Q352-H354 VanDerWaalsContact C-N 3.35Å
355A91.4Very high89.7Confident2 Ų250.6 Ų50.62%0.01726%0.262CS..EExtended strand (participates in β ladder)trans-123.6150.4170.300000111.2F348 F349 T350 A386 L463F348-A355 HydrophobicContact CE2-CB 3.58Å; F348-A355 HydrophobicContact CZ-CB 3.61Å; F349-A355 CarbonylContact O-C 3.58Å; F349-A355 VanDerWaalsContact O-CA 3.23Å; F349-A355 WeakPolarHBondContact O-CA 3.46Å; T350-A355 HydrophobicContact CG2-CB 3.97Å; A355-A386 HydrophobicContact CB-CB 3.82Å; A355-A386 WeakPolarHBondContact CB-O 3.26Å; A355-A386 PolarHBondContact O-N 3.39Å; A355-L463 HydrophobicContact CB-CD1 3.59Å
356R93.8Very high90.3Very high125 Ų12547.7 Ų47.747%0.47224%0.242SC..EExtended strand (participates in β ladder)trans-135.7144176.5-66178.474.11690.1110F349 S384F349-R356 PolarHBondContact N-O 3.08Å; F349-R356 PolarHBondContact O-N 3.34Å; R356-S384 CarbonylContact C-O 3.53Å; R356-S384 WeakPolarHBondContact CA-O 3Å
357V95.3Very high90.5Very high0 Ų047.8 Ų47.80%024%0.244CC..EExtended strand (participates in β ladder)trans-113.4116.1170.9171.30000107.9V293 L297 P346 E347 F348 Q359 S383 S384 A386 L399V293-V357 HydrophobicContact CG1-CG2 3.99Å; L297-V357 HydrophobicContact CD1-CG1 4.27Å; P346-V357 HydrophobicContact CB-CG1 3.79Å; E347-V357 CarbonylContact O-C 3.55Å; E347-V357 WeakPolarHBondContact O-CA 3.33Å; F348-V357 HydrophobicContact CD2-CG2 3.85Å; V357-Q359 HydrophobicContact CG1-CG 4.07Å; V357-S383 CarbonylContact O-C 3.54Å; V357-S383 WeakPolarHBondContact O-CA 3.47Å; V357-S384 PolarHBondContact N-O 3.24Å; V357-S384 PolarHBondContact O-N 2.9Å; V357-A386 HydrophobicContact CG2-CB 4Å; V357-L399 HydrophobicContact CB-CD2 4.1Å; V357-L399 HydrophobicContact CG2-CD2 3.84Å
358A94.7Very high90.6Very high24 Ų2444.8 Ų44.820%0.19823%0.234CC..EExtended strand (participates in β ladder)trans-98.6138.3172.900000110.4P346 E347 F349 A382P346-A358 WeakPolarHBondContact CA-O 3.42Å; E347-A358 HydrophobicContact CB-CB 4.4Å; E347-A358 PolarHBondContact N-O 3.02Å; E347-A358 PolarHBondContact O-N 3.2Å; F349-A358 HydrophobicContact CD2-CB 4.38Å; F349-A358 HydrophobicContact CE2-CB 3.77Å; A358-A382 CarbonylContact C-O 3.56Å; A358-A382 VanDerWaalsContact CA-O 3.3Å; A358-A382 WeakPolarHBondContact CA-O 3.32Å
359Q94.9Very high90.5Very high12 Ų1247.5 Ų47.56%0.05625%0.253CS..EExtended strand (participates in β ladder)trans-136.3142.5-175.7-73.8176.673.900109.9P346 V357 I361 A382P346-Q359 HydrophobicContact CB-CG 3.81Å; V357-Q359 HydrophobicContact CG1-CG 4.07Å; Q359-I361 HydrophobicContact CB-CG1 4.42Å; Q359-A382 PolarHBondContact N-O 2.76Å; Q359-A382 PolarHBondContact O-N 2.87Å
360L95.9Very high90.6Very high83 Ų8350.9 Ų50.944%0.43527%0.271SS..EExtended strand (participates in β ladder)trans-92.1131165.9-65.5179.1000108.3Q343 I380 E381Q343-L360 HydrophobicContact CB-CB 3.92Å; Q343-L360 PolarHBondContact N-O 2.94Å; L360-I380 CarbonylContact C-O 3.42Å; L360-I380 WeakPolarHBondContact CA-O 3.27Å; L360-E381 HydrophobicContact CD2-CB 4.42Å; L360-E381 HydrophobicContact CD2-CG 3.62Å
361I96.9Very high91Very high2 Ų250.9 Ų50.91%0.0127%0.273CS..EExtended strand (participates in β ladder)trans-128.3133.1-176.7-60.8167.6000108.8I340 L341 T342 Q359 G379 I380 A382 I430 L434I340-I361 HydrophobicContact CG2-CG2 3.55Å; L341-I361 CarbonylContact O-C 3.59Å; L341-I361 WeakPolarHBondContact O-CA 3.42Å; T342-I361 HydrophobicContact CG2-CG1 4.25Å; Q359-I361 HydrophobicContact CB-CG1 4.42Å; I361-G379 CarbonylContact O-C 3.58Å; I361-I380 HydrophobicContact CB-CB 4.16Å; I361-I380 PolarHBondContact N-O 3.33Å; I361-I380 PolarHBondContact O-N 2.04Å; I361-A382 HydrophobicContact CD1-CB 3.66Å; I361-I430 HydrophobicContact CD1-CD1 4.12Å; I361-I430 HydrophobicContact CD1-CG2 4.2Å; I361-L434 HydrophobicContact CD1-CD2 3.46Å; I361-L434 VanDerWaalsContact CD1-CD2 3.46Å; I361-L434 HydrophobicContact CG1-CD2 4.24Å
362V97.9Very high91.7Very high24 Ų2453.9 Ų53.915%0.14529%0.289CS..EExtended strand (participates in β ladder)trans-101.6120.6165.8175.90000107.9L341 Q343 E364 T377 L378 M410L341-V362 HydrophobicContact CB-CB 4.35Å; L341-V362 PolarHBondContact N-O 2.83Å; L341-V362 PolarHBondContact O-N 3.33Å; Q343-V362 HydrophobicContact CG-CG2 3.67Å; V362-E364 HydrophobicContact CG1-CG 4.28Å; V362-T377 HydrophobicContact CG1-CG2 3.6Å; V362-L378 WeakPolarHBondContact CA-O 3.33Å; V362-M410 HydrophobicContact CG2-SD 4.18Å
363L98.1Very high92.8Very high0 Ų057.5 Ų57.50%030%0.297CS..EExtended strand (participates in β ladder)trans-115.2125.1178-172.3152.6000110.1V338 K339 I340 V365 T377 L378 I380 I426 I429 I430V338-L363 HydrophobicContact CG1-CD1 4.11Å; V338-L363 HydrophobicContact CG1-CD2 3.98Å; V338-L363 HydrophobicContact CG1-CG 3.88Å; K339-L363 CarbonylContact O-C 3.6Å; K339-L363 VanDerWaalsContact O-CA 3.31Å; K339-L363 WeakPolarHBondContact O-CA 3.46Å; I340-L363 HydrophobicContact CG1-CD1 4.26Å; I340-L363 HydrophobicContact CG1-CG 4.49Å; L363-V365 HydrophobicContact CD2-CG2 3.6Å; L363-T377 CarbonylContact O-C 3.59Å; L363-T377 WeakPolarHBondContact O-CA 3.47Å; L363-L378 PolarHBondContact N-O 3.06Å; L363-L378 PolarHBondContact O-N 3.47Å; L363-I380 HydrophobicContact CB-CD1 3.74Å; L363-I380 HydrophobicContact CD1-CD1 4.17Å; L363-I426 HydrophobicContact CD1-CD1 4.01Å; L363-I426 HydrophobicContact CD1-CG2 4.22Å; L363-I426 HydrophobicContact CD2-CD1 3.77Å; L363-I429 HydrophobicContact CD1-CG2 4.34Å; L363-I430 HydrophobicContact CD1-CG1 4.35Å
364E98.1Very high94Very high53 Ų5356.5 Ų56.525%0.24828%0.282CS..EExtended strand (participates in β ladder)trans-118.1134.5178.7-56.8-170.6133.900110.6V338 K339 V362 F366 P374 T377V338-E364 WeakPolarHBondContact CA-O 3.45Å; K339-E364 HydrophobicContact CB-CB 4.24Å; K339-E364 PolarHBondContact N-O 2.86Å; K339-E364 PolarHBondContact O-N 2.83Å; V362-E364 HydrophobicContact CG1-CG 4.28Å; E364-F366 HydrophobicContact CB-CD2 4.28Å; E364-F366 HydrophobicContact CB-CE2 3.62Å; E364-F366 HydrophobicContact CB-CZ 4.44Å; E364-P374 HydrophobicContact CB-CB 4.1Å; E364-T377 HydrophobicContact CG-CG2 3.88Å; E364-T377 PolarHBondContact OE1-OG1 2.84Å
365V97.6Very high94.7Very high0 Ų051.3 Ų51.30%026%0.259CS..EExtended strand (participates in β ladder)trans-113.1120.3178.3-176.90000109.5L317 I321 L332 V338 L363 P374 L375 F376L317-V365 HydrophobicContact CD2-CG1 4.17Å; I321-V365 HydrophobicContact CD1-CG1 4.45Å; L332-V365 HydrophobicContact CD2-CG1 4.19Å; V338-V365 HydrophobicContact CG2-CG2 4.39Å; L363-V365 HydrophobicContact CD2-CG2 3.6Å; V365-P374 CarbonylContact O-C 3.53Å; V365-P374 VanDerWaalsContact O-CA 3.31Å; V365-P374 WeakPolarHBondContact O-CA 3.1Å; V365-P374 WeakPolarHBondContact O-CB 3.45Å; V365-L375 PolarHBondContact O-N 3.37Å; V365-F376 HydrophobicContact CB-CE1 4.33Å; V365-F376 HydrophobicContact CB-CE2 4.03Å; V365-F376 HydrophobicContact CB-CZ 3.9Å; V365-F376 HydrophobicContact CG1-CZ 4.39Å; V365-F376 HydrophobicContact CG2-CD2 4.35Å; V365-F376 HydrophobicContact CG2-CE2 3.54Å; V365-F376 HydrophobicContact CG2-CZ 3.66Å; V365-F376 PolarHBondContact N-O 3.17Å
366F97.4Very high95Very high19 Ų1951.2 Ų51.28%0.08326%0.258CS..EExtended strand (participates in β ladder)trans-108.4138.1177.6-66.6-103.2000110.3Q336 I337 K339 E364 S368 A371 R373 P374Q336-F366 WeakPolarHBondContact CA-O 3.02Å; I337-F366 HydrophobicContact CB-CB 4.14Å; I337-F366 HydrophobicContact CG2-CD2 4.46Å; I337-F366 PolarHBondContact N-O 2.71Å; I337-F366 VanDerWaalsContact N-O 3.14Å; I337-F366 PolarHBondContact O-N 3.19Å; K339-F366 HydrophobicContact CD-CE2 3.81Å; K339-F366 HydrophobicContact CD-CZ 4.4Å; K339-F366 HydrophobicContact CG-CD2 4.32Å; K339-F366 HydrophobicContact CG-CE2 3.94Å; E364-F366 HydrophobicContact CB-CD2 4.28Å; E364-F366 HydrophobicContact CB-CE2 3.62Å; E364-F366 HydrophobicContact CB-CZ 4.44Å; F366-S368 VanDerWaalsContact C-N 3.27Å; F366-S368 PolarHBondContact O-N 3.29Å; F366-A371 HydrophobicContact CB-CB 4.43Å; F366-A371 HydrophobicContact CD1-CB 4.29Å; F366-A371 WeakPolarHBondContact CD1-O 3.46Å; F366-R373 VanDerWaalsContact CE1-C 3.5Å; F366-P374 HydrophobicContact CD1-CB 4.35Å; F366-P374 HydrophobicContact CD2-CB 4.23Å; F366-P374 HydrophobicContact CE1-CB 4.11Å; F366-P374 HydrophobicContact CE1-CG 4.44Å; F366-P374 VanDerWaalsContact CE1-N 3.35Å; F366-P374 HydrophobicContact CE2-CB 3.98Å; F366-P374 HydrophobicContact CG-CB 4.4Å; F366-P374 HydrophobicContact CZ-CB 3.91Å; F366-P374 HydrophobicContact CZ-CG 4.18Å
367A94.6Very high95.2Very high13 Ų1345.8 Ų45.811%0.10724%0.239CC..SBendtrans-62-34.4-179.700000113.3K331 G333 L375K331-A367 HydrophobicContact CB-CB 4.12Å; G333-A367 PolarHBondContact N-O 2.82Å; A367-L375 HydrophobicContact CB-CD1 4.34Å; A367-L375 HydrophobicContact CB-CD2 4.16Å; A367-L375 HydrophobicContact CB-CG 4.26Å
368S93.1Very high95.3Very high32 Ų3245.8 Ų45.822%0.22424%0.239CC..SBendtrans-154.5169.6178.270.30000110.8T335 F366 E370 A371T335-S368 CarbonylContact O-C 3.3Å; T335-S368 VanDerWaalsContact O-C 3.3Å; T335-S368 WeakPolarHBondContact O-CA 3.37Å; T335-S368 WeakPolarHBondContact OG1-CB 3.13Å; F366-S368 VanDerWaalsContact C-N 3.27Å; F366-S368 PolarHBondContact O-N 3.29Å; S368-E370 PolarHBondContact O-N 2.7Å; S368-E370 PolarHBondContact OG-N 2.88Å; S368-A371 WeakPolarHBondContact O-CB 3.45Å; S368-A371 PolarHBondContact O-N 2.89Å; S368-A371 PolarHBondContact OG-N 2.87Å
369S89.3Confident95.4Very high65 Ų6545.4 Ų45.446%0.45524%0.236SC..THydrogen-bonded Turntrans-67.2-17.4175.754.70000114.4T335T335-S369 PolarHBondContact O-N 2.97Å
370E90.1Very high95.6Very high171 Ų17145 Ų4580%0.79924%0.235SC*.THydrogen-bonded Turntrans-93.1-9.2177.3-61.4178.8179.100112.3S368 L372S368-E370 PolarHBondContact O-N 2.7Å; S368-E370 PolarHBondContact OG-N 2.88Å; E370-L372 PolarHBondContact O-N 3.1Å
371A91.3Very high95.6Very high30 Ų3044.5 Ų44.525%0.24823%0.23CC..  trans-69.3124.2-177.700000111.2F366 S368 R373F366-A371 HydrophobicContact CB-CB 4.43Å; F366-A371 HydrophobicContact CD1-CB 4.29Å; F366-A371 WeakPolarHBondContact CD1-O 3.46Å; S368-A371 WeakPolarHBondContact O-CB 3.45Å; S368-A371 PolarHBondContact O-N 2.89Å; S368-A371 PolarHBondContact OG-N 2.87Å; A371-R373 VanDerWaalsContact C-N 3.34Å; A371-R373 PolarHBondContact O-N 2.87Å
372L90.1Very high95.5Very high171 Ų17144.5 Ų44.590%0.89523%0.231SC*.SBendtrans-77.2-16.9-179.5-63.1176.3000114.2E370E370-L372 PolarHBondContact O-N 3.1Å
373R94Very high95.4Very high211 Ų21144 Ų4480%0.79623%0.228SC*.SBendtrans-136.5143.1-177.5-64.9-175.3-177.5179.70.7110F366 A371F366-R373 VanDerWaalsContact CE1-C 3.5Å; A371-R373 VanDerWaalsContact C-N 3.34Å; A371-R373 PolarHBondContact O-N 2.87Å
374P96.8Very high95.3Very high22 Ų2244 Ų4414%0.14323%0.228CC..  trans-68.3151.9174.329.4-33.8000110.5E364 V365 F366E364-P374 HydrophobicContact CB-CB 4.1Å; V365-P374 CarbonylContact O-C 3.53Å; V365-P374 VanDerWaalsContact O-CA 3.31Å; V365-P374 WeakPolarHBondContact O-CA 3.1Å; V365-P374 WeakPolarHBondContact O-CB 3.45Å; F366-P374 HydrophobicContact CD1-CB 4.35Å; F366-P374 HydrophobicContact CD2-CB 4.23Å; F366-P374 HydrophobicContact CE1-CB 4.11Å; F366-P374 HydrophobicContact CE1-CG 4.44Å; F366-P374 VanDerWaalsContact CE1-N 3.35Å; F366-P374 HydrophobicContact CE2-CB 3.98Å; F366-P374 HydrophobicContact CG-CB 4.4Å; F366-P374 HydrophobicContact CZ-CB 3.91Å; F366-P374 HydrophobicContact CZ-CG 4.18Å
375L96.7Very high95.1Very high19 Ų1945 Ų4510%0.09923%0.233CC..SBendtrans-59.9-40.3166.3-66.4-178.7000110.2L332 V365 A367 G413 I414L332-L375 HydrophobicContact CD2-CD1 3.77Å; L332-L375 HydrophobicContact CG-CD1 4.1Å; V365-L375 PolarHBondContact O-N 3.37Å; A367-L375 HydrophobicContact CB-CD1 4.34Å; A367-L375 HydrophobicContact CB-CD2 4.16Å; A367-L375 HydrophobicContact CB-CG 4.26Å; L375-G413 WeakPolarHBondContact O-CA 3.32Å; L375-G413 PolarHBondContact O-N 3.36Å; L375-I414 HydrophobicContact CB-CG2 3.99Å; L375-I414 HydrophobicContact CD2-CG2 3.91Å; L375-I414 HydrophobicContact CG-CG2 4.47Å
376F97.6Very high95Very high0 Ų045.3 Ų45.30%024%0.235CC..EExtended strand (participates in β ladder)trans-162.7162.4173.553.6-95.7000111.1I321 V365 L378 L409 N411 I414 F417 L422I321-F376 HydrophobicContact CD1-CE1 3.69Å; I321-F376 HydrophobicContact CD1-CZ 3.8Å; I321-F376 HydrophobicContact CG1-CE1 3.96Å; I321-F376 HydrophobicContact CG1-CZ 4.14Å; V365-F376 HydrophobicContact CB-CE1 4.33Å; V365-F376 HydrophobicContact CB-CE2 4.03Å; V365-F376 HydrophobicContact CB-CZ 3.9Å; V365-F376 HydrophobicContact CG1-CZ 4.39Å; V365-F376 HydrophobicContact CG2-CD2 4.35Å; V365-F376 HydrophobicContact CG2-CE2 3.54Å; V365-F376 HydrophobicContact CG2-CZ 3.66Å; V365-F376 PolarHBondContact N-O 3.17Å; F376-L378 HydrophobicContact CD2-CD1 4.32Å; F376-L378 HydrophobicContact CD2-CD2 4.1Å; F376-L378 HydrophobicContact CD2-CG 3.9Å; F376-L378 HydrophobicContact CE2-CD1 4Å; F376-L378 HydrophobicContact CE2-CG 4.09Å; F376-L409 HydrophobicContact CB-CD1 4.09Å; F376-N411 CarbonylContact C-O 3.47Å; F376-N411 VanDerWaalsContact CA-O 3.25Å; F376-N411 WeakPolarHBondContact CA-O 3.31Å; F376-N411 WeakPolarHBondContact CB-O 3.36Å; F376-I414 HydrophobicContact CD1-CD1 3.63Å; F376-I414 HydrophobicContact CD1-CG1 4.18Å; F376-I414 HydrophobicContact CE1-CD1 4.04Å; F376-F417 HydrophobicContact CB-CE1 4.01Å; F376-F417 HydrophobicContact CB-CZ 4.13Å; F376-F417 HydrophobicContact CD1-CE1 4.11Å; F376-F417 HydrophobicContact CD1-CZ 4.06Å; F376-F417 HydrophobicContact CD2-CZ 4.01Å; F376-F417 HydrophobicContact CE1-CZ 4.49Å; F376-F417 HydrophobicContact CE2-CZ 4.45Å; F376-F417 HydrophobicContact CG-CE1 4.02Å; F376-F417 AromaticContact CG-CZ 3.8Å; F376-F417 HydrophobicContact CG-CZ 3.8Å; F376-L422 HydrophobicContact CE1-CD1 4.42Å; F376-L422 HydrophobicContact CE2-CD1 3.81Å; F376-L422 HydrophobicContact CZ-CD1 3.66Å
377T98.1Very high94.8Very high11 Ų1149.1 Ų49.17%0.06725%0.253CS..EExtended strand (participates in β ladder)trans-124.4130.2176.4-55.30000108.8V362 L363 E364 M410 N411V362-T377 HydrophobicContact CG1-CG2 3.6Å; L363-T377 CarbonylContact O-C 3.59Å; L363-T377 WeakPolarHBondContact O-CA 3.47Å; E364-T377 HydrophobicContact CG-CG2 3.88Å; E364-T377 PolarHBondContact OE1-OG1 2.84Å; T377-M410 HydrophobicContact CG2-CB 4.17Å; T377-M410 HydrophobicContact CG2-SD 4.17Å; T377-M410 PolarHBondContact O-N 3.04Å; T377-N411 PolarHBondContact N-O 3.48Å; T377-N411 PolarHBondContact O-N 3.01Å
378L98.1Very high94.6Very high0 Ų049.6 Ų49.60%025%0.253CS..EExtended strand (participates in β ladder)trans-113.2137.1178.1-57.3178.7000110.4V362 L363 F376 I380 I407 Q408 L409 F417 P419 L422 I426V362-L378 WeakPolarHBondContact CA-O 3.33Å; L363-L378 PolarHBondContact N-O 3.06Å; L363-L378 PolarHBondContact O-N 3.47Å; F376-L378 HydrophobicContact CD2-CD1 4.32Å; F376-L378 HydrophobicContact CD2-CD2 4.1Å; F376-L378 HydrophobicContact CD2-CG 3.9Å; F376-L378 HydrophobicContact CE2-CD1 4Å; F376-L378 HydrophobicContact CE2-CG 4.09Å; L378-I380 HydrophobicContact CB-CD1 4.37Å; L378-I380 HydrophobicContact CB-CG1 4.2Å; L378-I407 HydrophobicContact CB-CG2 4.18Å; L378-I407 HydrophobicContact CD1-CG2 4Å; L378-I407 HydrophobicContact CD2-CG2 4.29Å; L378-I407 HydrophobicContact CG-CG2 4.39Å; L378-Q408 CarbonylContact C-O 3.52Å; L378-Q408 VanDerWaalsContact CA-O 3.3Å; L378-Q408 WeakPolarHBondContact CA-O 3.43Å; L378-L409 HydrophobicContact CD2-CD1 3.73Å; L378-F417 HydrophobicContact CD2-CE2 4.5Å; L378-F417 HydrophobicContact CD2-CZ 4.32Å; L378-P419 HydrophobicContact CD2-CB 4.45Å; L378-L422 HydrophobicContact CD1-CD1 4.36Å; L378-I426 HydrophobicContact CD1-CD1 3.8Å; L378-I426 HydrophobicContact CD1-CG1 3.91Å
379G97.6Very high94.5Very high15 Ų1552.2 Ų52.216%0.15526%0.258CS..EExtended strand (participates in β ladder)trans-97.8128.3165.200000108.9I361 I407 Q408 M410I361-G379 CarbonylContact O-C 3.58Å; G379-I407 CarbonylContact O-C 3.48Å; G379-I407 WeakPolarHBondContact O-CA 3.28Å; G379-Q408 PolarHBondContact N-O 2.8Å; G379-Q408 PolarHBondContact O-N 2.9Å; G379-M410 VanDerWaalsContact CA-SD 3.59Å
380I97.3Very high94.5Very high3 Ų351 Ų512%0.01525%0.248CC..EExtended strand (participates in β ladder)trans-129125-170.1-55.6167.4000108.7L360 I361 L363 L378 A382 R406 I407 I426 I430L360-I380 CarbonylContact C-O 3.42Å; L360-I380 WeakPolarHBondContact CA-O 3.27Å; I361-I380 HydrophobicContact CB-CB 4.16Å; I361-I380 PolarHBondContact N-O 3.33Å; I361-I380 PolarHBondContact O-N 2.04Å; L363-I380 HydrophobicContact CB-CD1 3.74Å; L363-I380 HydrophobicContact CD1-CD1 4.17Å; L378-I380 HydrophobicContact CB-CD1 4.37Å; L378-I380 HydrophobicContact CB-CG1 4.2Å; I380-A382 HydrophobicContact CG2-CB 4.27Å; I380-R406 WeakPolarHBondContact CA-O 3.34Å; I380-I407 HydrophobicContact CG1-CG1 4.36Å; I380-I407 HydrophobicContact CG1-CG2 4.19Å; I380-I407 HydrophobicContact CG2-CG1 4.36Å; I380-I426 HydrophobicContact CD1-CG2 3.44Å; I380-I426 VanDerWaalsContact CD1-CG2 3.44Å; I380-I426 HydrophobicContact CG1-CG2 4.47Å; I380-I430 HydrophobicContact CD1-CD1 3.78Å; I380-I430 HydrophobicContact CG2-CD1 4.19Å
381E96.2Very high94.3Very high74 Ų7449.2 Ų49.235%0.34624%0.238SC..EExtended strand (participates in β ladder)trans-91.2112.9164.8-63.7167.1-153.300106.4L360 D405 R406L360-E381 HydrophobicContact CD2-CB 4.42Å; L360-E381 HydrophobicContact CD2-CG 3.62Å; E381-D405 PolarHBondContact O-N 3.3Å; E381-R406 HydrophobicContact CB-CB 4.01Å; E381-R406 HydrophobicContact CG-CB 4.27Å; E381-R406 PolarHBondContact N-O 2.76Å; E381-R406 PolarHBondContact O-N 3.09Å; E381-R406 WeakPolarHBondContact OE1-CD 3.5Å; E381-R406 IonicContact OE1-NH1 2.66Å; E381-R406 PolarHBondContact OE1-NH1 2.88Å
382A95.3Very high93.7Very high2 Ų249.9 Ų49.92%0.01725%0.247CC..EExtended strand (participates in β ladder)trans-118.6143.5-177.400000111.5A358 Q359 I361 I380 I402 S403A358-A382 CarbonylContact C-O 3.56Å; A358-A382 VanDerWaalsContact CA-O 3.3Å; A358-A382 WeakPolarHBondContact CA-O 3.32Å; Q359-A382 PolarHBondContact N-O 2.76Å; Q359-A382 PolarHBondContact O-N 2.87Å; I361-A382 HydrophobicContact CD1-CB 3.66Å; I380-A382 HydrophobicContact CG2-CB 4.27Å; A382-I402 HydrophobicContact CB-CD1 4.32Å; A382-I402 HydrophobicContact CB-CG1 4.31Å; A382-S403 CarbonylContact C-O 3.58Å; A382-S403 WeakPolarHBondContact CA-O 3.4Å; A382-S403 WeakPolarHBondContact CB-O 3.43Å
383S95.4Very high93.1Very high12 Ų1244.9 Ų44.98%0.08422%0.222CC..EExtended strand (participates in β ladder)trans-125.5136.4176.4-68.10000110.8V357 I402 S403 D405V357-S383 CarbonylContact O-C 3.54Å; V357-S383 WeakPolarHBondContact O-CA 3.47Å; S383-I402 CarbonylContact O-C 3.37Å; S383-I402 WeakPolarHBondContact O-CA 3.47Å; S383-S403 PolarHBondContact N-O 2.92Å; S383-S403 PolarHBondContact O-N 3.47Å; S383-S403 PolarHBondContact O-OG 3.47Å; S383-D405 WeakPolarHBondContact CB-OD2 3.49Å; S383-D405 PolarHBondContact OG-OD2 2.98Å
384S95.9Very high92.9Very high1 Ų138.3 Ų38.31%0.00720%0.2CC..EExtended strand (participates in β ladder)trans-116.1146.9168.9-56.60000110.3R356 V357 I402R356-S384 CarbonylContact C-O 3.53Å; R356-S384 WeakPolarHBondContact CA-O 3Å; V357-S384 PolarHBondContact N-O 3.24Å; V357-S384 PolarHBondContact O-N 2.9Å; S384-I402 WeakPolarHBondContact OG-CB 3.39Å; S384-I402 WeakPolarHBondContact OG-CD1 3.36Å; S384-I402 WeakPolarHBondContact OG-CG1 3.45Å
385E95.3Very high92.7Very high75 Ų7538 Ų3835%0.3520%0.197SC..EExtended strand (participates in β ladder)trans-68135.7163.2179.9177.5-169.600108.9L399 N400 N401E385-L399 CarbonylContact O-C 3.59Å; E385-L399 VanDerWaalsContact O-CA 3.29Å; E385-L399 WeakPolarHBondContact O-CA 3.34Å; E385-N400 HydrophobicContact CB-CB 4.21Å; E385-N400 PolarHBondContact N-O 3.31Å; E385-N400 PolarHBondContact O-N 2.9Å; E385-N401 PolarHBondContact OE2-ND2 3.43Å
386A94.6Very high92.5Very high5 Ų537.3 Ų37.34%0.04119%0.194CC..EExtended strand (participates in β ladder)trans-114.4127.917900000109.5F348 A355 V357 L397 L399F348-A386 HydrophobicContact CE2-CB 4.14Å; A355-A386 HydrophobicContact CB-CB 3.82Å; A355-A386 WeakPolarHBondContact CB-O 3.26Å; A355-A386 PolarHBondContact O-N 3.39Å; V357-A386 HydrophobicContact CG2-CB 4Å; A386-L397 HydrophobicContact CB-CD1 3.91Å; A386-L399 HydrophobicContact CB-CD2 4.08Å
387Q92.7Very high92.3Very high100 Ų10037.6 Ų37.647%0.46720%0.195SC..EExtended strand (participates in β ladder)trans-124.9125.3179-171.8177.215.500110.1N398Q387-N398 PolarHBondContact N-O 3.29Å; Q387-N398 PolarHBondContact O-N 3.2Å
388F91.7Very high92.2Very high23 Ų2338.8 Ų38.810%0.10120%0.201CC..EExtended strand (participates in β ladder)trans-92.3135.4167.7-68.4-87.3000109.6V289 V293 F348 L395 I396 L397 S461 L463 L468V289-F388 HydrophobicContact CG1-CE2 4.44Å; V289-F388 HydrophobicContact CG1-CZ 3.98Å; V293-F388 HydrophobicContact CG2-CZ 3.99Å; F348-F388 AromaticContact CE2-CE2 3.86Å; F348-F388 HydrophobicContact CE2-CE2 3.86Å; F348-F388 HydrophobicContact CE2-CZ 4.26Å; F348-F388 AromaticContact CZ-CE2 3.67Å; F348-F388 HydrophobicContact CZ-CE2 3.67Å; F348-F388 HydrophobicContact CZ-CZ 4.21Å; F388-L395 HydrophobicContact CB-CD1 4.15Å; F388-L395 HydrophobicContact CD1-CD1 4.05Å; F388-L395 HydrophobicContact CD1-CD2 4.19Å; F388-L395 HydrophobicContact CD1-CG 4.12Å; F388-I396 WeakPolarHBondContact CA-O 3.37Å; F388-L397 HydrophobicContact CD1-CB 4.31Å; F388-L397 HydrophobicContact CD1-CD1 4.35Å; F388-L397 HydrophobicContact CD2-CD1 4.34Å; F388-L397 HydrophobicContact CE1-CB 4.03Å; F388-L397 HydrophobicContact CE1-CD1 4Å; F388-L397 HydrophobicContact CE1-CG 4.46Å; F388-L397 HydrophobicContact CE2-CD1 3.98Å; F388-L397 HydrophobicContact CZ-CD1 3.82Å; F388-S461 PolarHBondContact O-OG 3.26Å; F388-L463 HydrophobicContact CD2-CD1 3.87Å; F388-L463 HydrophobicContact CD2-CD2 4.21Å; F388-L463 HydrophobicContact CD2-CG 4.19Å; F388-L463 HydrophobicContact CE2-CD1 4.34Å; F388-L463 HydrophobicContact CE2-CD2 4.31Å; F388-L468 HydrophobicContact CB-CD1 4.19Å; F388-L468 HydrophobicContact CD1-CD1 4.5Å; F388-L468 HydrophobicContact CD1-CD2 4.45Å; F388-L468 HydrophobicContact CD2-CD1 4.23Å; F388-L468 HydrophobicContact CG-CD1 4.05Å
389Y90.1Very high92.1Very high87 Ų8738.8 Ų38.834%0.34120%0.201SC..EExtended strand (participates in β ladder)trans-147.5163.8167.966.7-85.2000109.4K391 I396 N398 S461Y389-K391 HydrophobicContact CE2-CB 4.45Å; Y389-I396 HydrophobicContact CD1-CB 4.39Å; Y389-I396 HydrophobicContact CD2-CB 4.4Å; Y389-I396 HydrophobicContact CE1-CB 3.94Å; Y389-I396 HydrophobicContact CE1-CG2 3.7Å; Y389-I396 HydrophobicContact CE2-CB 3.96Å; Y389-I396 HydrophobicContact CE2-CD1 3.76Å; Y389-I396 HydrophobicContact CE2-CG1 4.37Å; Y389-I396 HydrophobicContact CE2-CG2 4.29Å; Y389-I396 PolarHBondContact N-O 3.23Å; Y389-I396 PolarHBondContact O-N 2.94Å; Y389-I396 WeakPolarHBondContact OH-CG2 3.32Å; Y389-N398 HydrophobicContact CE1-CB 3.85Å; Y389-S461 WeakPolarHBondContact CA-OG 3.5Å
390T88.8Confident91.9Very high38 Ų3840.2 Ų40.223%0.23321%0.205CC..EExtended strand (participates in β ladder)trans-107.1144.1-18048.20000110.4E394 L395 A459 L470T390-E394 CarbonylContact C-O 3.56Å; T390-E394 VanDerWaalsContact CA-O 3.32Å; T390-E394 WeakPolarHBondContact CA-O 3.45Å; T390-L395 HydrophobicContact CG2-CD1 4.22Å; T390-A459 WeakPolarHBondContact CB-O 3.41Å; T390-A459 HydrophobicContact CG2-CB 4.38Å; T390-A459 WeakPolarHBondContact CG2-O 3.37Å; T390-A459 PolarHBondContact OG1-O 3.24Å; T390-L470 HydrophobicContact CG2-CD2 4.42Å
391K86.2Confident91.7Very high134 Ų13445.8 Ų45.858%0.58324%0.235SC*.EExtended strand (participates in β ladder)trans-139.2103.9173.4-174.1-176.4175.9-171.20108.8Y389 D393 E394 I396Y389-K391 HydrophobicContact CE2-CB 4.45Å; K391-D393 PolarHBondContact O-N 3.14Å; K391-E394 PolarHBondContact N-O 3.12Å; K391-E394 PolarHBondContact O-N 2.77Å; K391-I396 HydrophobicContact CB-CD1 3.68Å; K391-I396 HydrophobicContact CD-CD1 4.04Å
392G78.8Confident91.6Very high44 Ų4442.7 Ų42.745%0.45422%0.22SC..THydrogen-bonded Turntrans64.8-123.6-169.900000110.6
393D79.1Confident91.6Very high66 Ų6644.4 Ų44.435%0.35323%0.232SC..THydrogen-bonded Turntrans-968.9176.160.3-16.2000113.9K391 V448K391-D393 PolarHBondContact O-N 3.14Å; D393-V448 PolarHBondContact O-N 3.21Å
394E88.9Confident91.6Very high73 Ų7344 Ų4434%0.34123%0.229SC..EExtended strand (participates in β ladder)trans-103133.4178.4-64.4172.717200111.4T390 K391 I396 S444 V446T390-E394 CarbonylContact C-O 3.56Å; T390-E394 VanDerWaalsContact CA-O 3.32Å; T390-E394 WeakPolarHBondContact CA-O 3.45Å; K391-E394 PolarHBondContact N-O 3.12Å; K391-E394 PolarHBondContact O-N 2.77Å; E394-I396 HydrophobicContact CB-CG1 4.4Å; E394-S444 VanDerWaalsContact CD-O 3.23Å; E394-V446 WeakPolarHBondContact CA-O 3.36Å
395L91.9Very high91.5Very high16 Ų1647.3 Ų47.38%0.08425%0.247CC..EExtended strand (participates in β ladder)trans-91.1116.2164.8174.770000108.7F388 T390 G445 V446 V448 L468 L470F388-L395 HydrophobicContact CB-CD1 4.15Å; F388-L395 HydrophobicContact CD1-CD1 4.05Å; F388-L395 HydrophobicContact CD1-CD2 4.19Å; F388-L395 HydrophobicContact CD1-CG 4.12Å; T390-L395 HydrophobicContact CG2-CD1 4.22Å; L395-G445 CarbonylContact O-C 3.6Å; L395-G445 WeakPolarHBondContact O-CA 3.35Å; L395-V446 HydrophobicContact CB-CB 4.46Å; L395-V446 PolarHBondContact N-O 3.2Å; L395-V446 PolarHBondContact O-N 3.07Å; L395-V448 HydrophobicContact CB-CG2 3.55Å; L395-L468 HydrophobicContact CD1-CD2 4.49Å; L395-L468 HydrophobicContact CD2-CD2 3.47Å; L395-L468 VanDerWaalsContact CD2-CD2 3.47Å; L395-L470 HydrophobicContact CD1-CD2 4.17Å
396I93Very high91.4Very high5 Ų550.2 Ų50.23%0.02626%0.255CS..EExtended strand (participates in β ladder)trans-105.8130.6-177.3-59.1173.3000109.3F388 Y389 K391 E394F388-I396 WeakPolarHBondContact CA-O 3.37Å; Y389-I396 HydrophobicContact CD1-CB 4.39Å; Y389-I396 HydrophobicContact CD2-CB 4.4Å; Y389-I396 HydrophobicContact CE1-CB 3.94Å; Y389-I396 HydrophobicContact CE1-CG2 3.7Å; Y389-I396 HydrophobicContact CE2-CB 3.96Å; Y389-I396 HydrophobicContact CE2-CD1 3.76Å; Y389-I396 HydrophobicContact CE2-CG1 4.37Å; Y389-I396 HydrophobicContact CE2-CG2 4.29Å; Y389-I396 PolarHBondContact N-O 3.23Å; Y389-I396 PolarHBondContact O-N 2.94Å; Y389-I396 WeakPolarHBondContact OH-CG2 3.32Å; K391-I396 HydrophobicContact CB-CD1 3.68Å; K391-I396 HydrophobicContact CD-CD1 4.04Å; E394-I396 HydrophobicContact CB-CG1 4.4Å
397L94.1Very high91.5Very high6 Ų650.7 Ų50.73%0.03126%0.257CS..EExtended strand (participates in β ladder)trans-94.4131.4164.7173.863.5000108.5V293 M296 A386 F388 L399 L442V293-L397 HydrophobicContact CG1-CD2 3.97Å; V293-L397 HydrophobicContact CG2-CD2 4.01Å; M296-L397 HydrophobicContact CE-CD2 4.15Å; A386-L397 HydrophobicContact CB-CD1 3.91Å; F388-L397 HydrophobicContact CD1-CB 4.31Å; F388-L397 HydrophobicContact CD1-CD1 4.35Å; F388-L397 HydrophobicContact CD2-CD1 4.34Å; F388-L397 HydrophobicContact CE1-CB 4.03Å; F388-L397 HydrophobicContact CE1-CD1 4Å; F388-L397 HydrophobicContact CE1-CG 4.46Å; F388-L397 HydrophobicContact CE2-CD1 3.98Å; F388-L397 HydrophobicContact CZ-CD1 3.82Å; L397-L399 HydrophobicContact CD1-CD2 4.48Å; L397-L399 HydrophobicContact CG-CD2 4.47Å; L397-L442 HydrophobicContact CB-CD1 4.42Å; L397-L442 HydrophobicContact CD2-CD1 4.07Å; L397-L442 HydrophobicContact CD2-CD2 4.24Å; L397-L442 HydrophobicContact CG-CD1 4.02Å; L397-L442 VanDerWaalsContact O-CB 3.23Å; L397-L442 WeakPolarHBondContact O-CB 3.41Å
398N94.8Very high91.7Very high36 Ų3649.9 Ų49.919%0.19325%0.253CS..EExtended strand (participates in β ladder)trans-128.8134.2173.5-179.280000110.4Q387 Y389 N400 N439Q387-N398 PolarHBondContact N-O 3.29Å; Q387-N398 PolarHBondContact O-N 3.2Å; Y389-N398 HydrophobicContact CE1-CB 3.85Å; N398-N400 VanDerWaalsContact ND2-CG 3.28Å; N398-N400 PolarHBondContact ND2-ND2 3.09Å; N398-N400 PolarHBondContact ND2-OD1 3.23Å; N398-N439 PolarHBondContact OD1-ND2 2.74Å
399L95.9Very high92Very high0 Ų050.9 Ų50.90%026%0.259CS..EExtended strand (participates in β ladder)trans-96.7132.6177.8-56.4-177.8000109.9L297 V357 E385 A386 L397 L435 Q438 N439 L442L297-L399 HydrophobicContact CD1-CD1 4.03Å; V357-L399 HydrophobicContact CB-CD2 4.1Å; V357-L399 HydrophobicContact CG2-CD2 3.84Å; E385-L399 CarbonylContact O-C 3.59Å; E385-L399 VanDerWaalsContact O-CA 3.29Å; E385-L399 WeakPolarHBondContact O-CA 3.34Å; A386-L399 HydrophobicContact CB-CD2 4.08Å; L397-L399 HydrophobicContact CD1-CD2 4.48Å; L397-L399 HydrophobicContact CG-CD2 4.47Å; L399-L435 HydrophobicContact CB-CD1 3.46Å; L399-L435 VanDerWaalsContact CB-CD1 3.46Å; L399-Q438 HydrophobicContact CD1-CB 4.33Å; L399-N439 WeakPolarHBondContact CB-OD1 3.5Å; L399-N439 PolarHBondContact N-OD1 3.49Å; L399-N439 PolarHBondContact O-ND2 2.97Å; L399-L442 HydrophobicContact CD1-CD1 4.23Å; L399-L442 HydrophobicContact CG-CD1 3.96Å
400N94.6Very high92.3Very high44 Ų4452.4 Ų52.424%0.23527%0.271CS..EExtended strand (participates in β ladder)trans-129.3160.9-177.9-67.4-46.4000110.6E385 N398 I402E385-N400 HydrophobicContact CB-CB 4.21Å; E385-N400 PolarHBondContact N-O 3.31Å; E385-N400 PolarHBondContact O-N 2.9Å; N398-N400 VanDerWaalsContact ND2-CG 3.28Å; N398-N400 PolarHBondContact ND2-ND2 3.09Å; N398-N400 PolarHBondContact ND2-OD1 3.23Å; N400-I402 PolarHBondContact O-N 2.86Å
401N92.8Very high92.6Very high120 Ų12055.1 Ų55.164%0.64228%0.284SS*.EExtended strand (participates in β ladder)trans50.450163.7-60-29.4000114.5E385 S403E385-N401 PolarHBondContact OE2-ND2 3.43Å; N401-S403 PolarHBondContact O-N 2.99Å
402I94.4Very high93.1Very high9 Ų950.2 Ų50.25%0.04627%0.266CS..EExtended strand (participates in β ladder)trans-63.8130179.4-168.6158.1000111.5A382 S383 S384 N400 I430 L431 L434 L435A382-I402 HydrophobicContact CB-CD1 4.32Å; A382-I402 HydrophobicContact CB-CG1 4.31Å; S383-I402 CarbonylContact O-C 3.37Å; S383-I402 WeakPolarHBondContact O-CA 3.47Å; S384-I402 WeakPolarHBondContact OG-CB 3.39Å; S384-I402 WeakPolarHBondContact OG-CD1 3.36Å; S384-I402 WeakPolarHBondContact OG-CG1 3.45Å; N400-I402 PolarHBondContact O-N 2.86Å; I402-I430 HydrophobicContact CD1-CG2 3.45Å; I402-I430 VanDerWaalsContact CD1-CG2 3.45Å; I402-I430 HydrophobicContact CG1-CG2 4.07Å; I402-I430 HydrophobicContact CG2-CG2 4.25Å; I402-L431 HydrophobicContact CG2-CB 3.96Å; I402-L431 HydrophobicContact CG2-CD1 3.75Å; I402-L431 HydrophobicContact CG2-CG 4.5Å; I402-L434 HydrophobicContact CD1-CD2 4.29Å; I402-L435 HydrophobicContact CB-CD1 4.41Å; I402-L435 HydrophobicContact CG2-CB 4.38Å; I402-L435 HydrophobicContact CG2-CD2 4.22Å
403S94.4Very high93.8Very high38 Ų3851.2 Ų51.227%0.26628%0.277SS..EExtended strand (participates in β ladder)trans-116.3146.7175.459.70000111.1A382 S383 N401 D405A382-S403 CarbonylContact C-O 3.58Å; A382-S403 WeakPolarHBondContact CA-O 3.4Å; A382-S403 WeakPolarHBondContact CB-O 3.43Å; S383-S403 PolarHBondContact N-O 2.92Å; S383-S403 PolarHBondContact O-N 3.47Å; S383-S403 PolarHBondContact O-OG 3.47Å; N401-S403 PolarHBondContact O-N 2.99Å; S403-D405 PolarHBondContact OG-OD1 2.79Å
404S95.3Very high94.6Very high3 Ų349 Ų492%0.02127%0.265CS..EExtended strand (participates in β ladder)trans-92.295.9165.1-49.70000108.4K423 T427S404-K423 WeakPolarHBondContact O-CE 3.34Å; S404-K423 PolarHBondContact O-NZ 2.98Å; S404-T427 WeakPolarHBondContact CB-OG1 3.48Å; S404-T427 PolarHBondContact OG-OG1 2.66Å
405D93.3Very high94.7Very high72 Ų7247.5 Ų47.539%0.38527%0.269SS..EExtended strand (participates in β ladder)trans-71.4-42-173.9-63-27000110.6E381 S383 S403E381-D405 PolarHBondContact O-N 3.3Å; S383-D405 WeakPolarHBondContact CB-OD2 3.49Å; S383-D405 PolarHBondContact OG-OD2 2.98Å; S403-D405 PolarHBondContact OG-OD1 2.79Å
406R94.9Very high94.8Very high135 Ų13557.1 Ų57.151%0.50930%0.304SS..EExtended strand (participates in β ladder)trans-138.5140.4175.9-164.1-179.1-178.1-170.91.4111I380 E381 Q408I380-R406 WeakPolarHBondContact CA-O 3.34Å; E381-R406 HydrophobicContact CB-CB 4.01Å; E381-R406 HydrophobicContact CG-CB 4.27Å; E381-R406 PolarHBondContact N-O 2.76Å; E381-R406 PolarHBondContact O-N 3.09Å; E381-R406 WeakPolarHBondContact OE1-CD 3.5Å; E381-R406 IonicContact OE1-NH1 2.66Å; E381-R406 PolarHBondContact OE1-NH1 2.88Å; R406-Q408 HydrophobicContact CG-CG 4.46Å; R406-Q408 VanDerWaalsContact NE-NE2 3.18Å
407I96.7Very high95Very high15 Ų1557.4 Ų57.48%0.07731%0.305CS..EExtended strand (participates in β ladder)trans-129.9129.8175.8-53.3178.6000108.6L378 G379 I380 P419 K423 I426L378-I407 HydrophobicContact CB-CG2 4.18Å; L378-I407 HydrophobicContact CD1-CG2 4Å; L378-I407 HydrophobicContact CD2-CG2 4.29Å; L378-I407 HydrophobicContact CG-CG2 4.39Å; G379-I407 CarbonylContact O-C 3.48Å; G379-I407 WeakPolarHBondContact O-CA 3.28Å; I380-I407 HydrophobicContact CG1-CG1 4.36Å; I380-I407 HydrophobicContact CG1-CG2 4.19Å; I380-I407 HydrophobicContact CG2-CG1 4.36Å; I407-P419 HydrophobicContact CB-CB 3.99Å; I407-P419 HydrophobicContact CG2-CB 3.51Å; I407-P419 HydrophobicContact CG2-CG 4.46Å; I407-K423 HydrophobicContact CD1-CB 4.02Å; I407-K423 HydrophobicContact CD1-CG 4.05Å; I407-I426 HydrophobicContact CD1-CB 4.33Å; I407-I426 HydrophobicContact CD1-CG2 4.14Å
408Q96.4Very high95Very high84 Ų8462.3 Ų62.339%0.39333%0.328SS..EExtended strand (participates in β ladder)trans-124.4137.7-179.9-59.4-176.226.200110.2L378 G379 R406 M410L378-Q408 CarbonylContact C-O 3.52Å; L378-Q408 VanDerWaalsContact CA-O 3.3Å; L378-Q408 WeakPolarHBondContact CA-O 3.43Å; G379-Q408 PolarHBondContact N-O 2.8Å; G379-Q408 PolarHBondContact O-N 2.9Å; R406-Q408 HydrophobicContact CG-CG 4.46Å; R406-Q408 VanDerWaalsContact NE-NE2 3.18Å; Q408-M410 PolarHBondContact O-N 3.44Å
409L97.6Very high95Very high44 Ų4461.3 Ų61.323%0.2332%0.324CS..EExtended strand (participates in β ladder)trans-78.4113171.8-172.259.7000108.7F376 L378 N411 F417 P419F376-L409 HydrophobicContact CB-CD1 4.09Å; L378-L409 HydrophobicContact CD2-CD1 3.73Å; L409-N411 WeakPolarHBondContact CD1-O 3.4Å; L409-F417 HydrophobicContact CD1-CD1 4.41Å; L409-F417 HydrophobicContact CD1-CE1 3.61Å; L409-F417 HydrophobicContact CD1-CE2 4.21Å; L409-F417 HydrophobicContact CD1-CZ 3.49Å; L409-F417 VanDerWaalsContact CD1-CZ 3.49Å; L409-F417 HydrophobicContact CD2-CD1 3.92Å; L409-F417 HydrophobicContact CD2-CE1 3.95Å; L409-F417 HydrophobicContact CD2-CG 4.32Å; L409-F417 HydrophobicContact CD2-CZ 4.37Å; L409-F417 HydrophobicContact CG-CE1 4.45Å; L409-P419 HydrophobicContact CB-CG 3.89Å
410M96Very high94.7Very high118 Ų11865.5 Ų65.558%0.58135%0.346SS*.EExtended strand (participates in β ladder)trans-88-44.9178.3-62.7-179.471.900111.3V362 T377 G379 Q408V362-M410 HydrophobicContact CG2-SD 4.18Å; T377-M410 HydrophobicContact CG2-CB 4.17Å; T377-M410 HydrophobicContact CG2-SD 4.17Å; T377-M410 PolarHBondContact O-N 3.04Å; G379-M410 VanDerWaalsContact CA-SD 3.59Å; Q408-M410 PolarHBondContact O-N 3.44Å
411N96Very high94.6Very high96 Ų9667 Ų6751%0.51336%0.357SS..EExtended strand (participates in β ladder)trans-148149.9179.4-174.326.9000110.1F376 T377 L409F376-N411 CarbonylContact C-O 3.47Å; F376-N411 VanDerWaalsContact CA-O 3.25Å; F376-N411 WeakPolarHBondContact CA-O 3.31Å; F376-N411 WeakPolarHBondContact CB-O 3.36Å; T377-N411 PolarHBondContact N-O 3.48Å; T377-N411 PolarHBondContact O-N 3.01Å; L409-N411 WeakPolarHBondContact CD1-O 3.4Å
412S96.4Very high94.8Very high30 Ų3061.3 Ų61.321%0.2133%0.326CS..EExtended strand (participates in β ladder)trans-149.3122.5177.5-175.50000112.2I414 G415S412-I414 VanDerWaalsContact C-N 3.31Å; S412-I414 VanDerWaalsContact OG-CG1 3.3Å; S412-I414 WeakPolarHBondContact OG-CG1 3.13Å; S412-I414 PolarHBondContact OG-N 2.79Å; S412-G415 VanDerWaalsContact CB-O 3.23Å; S412-G415 WeakPolarHBondContact CB-O 3.4Å; S412-G415 PolarHBondContact OG-N 2.89Å; S412-G415 PolarHBondContact OG-O 3.39Å
413G94.2Very high94.8Very high66 Ų6664.7 Ų64.768%0.6834%0.34SS*.SBendtrans-85.4-1.6167.800000113.7L375L375-G413 WeakPolarHBondContact O-CA 3.32Å; L375-G413 PolarHBondContact O-N 3.36Å
414I94.4Very high94.8Very high20 Ų2068.9 Ų68.910%0.10336%0.36CS..SBendtrans-113.410.8-175.665.8165.5000113.2I321 I324 N325 A328 L375 F376 S412 F417I321-I414 HydrophobicContact CG2-CD1 4.42Å; I324-I414 HydrophobicContact CG2-CD1 4.32Å; N325-I414 HydrophobicContact CB-CB 4.44Å; N325-I414 HydrophobicContact CB-CD1 4.44Å; N325-I414 PolarHBondContact ND2-O 3.21Å; A328-I414 HydrophobicContact CB-CB 4.02Å; A328-I414 HydrophobicContact CB-CD1 4.22Å; A328-I414 HydrophobicContact CB-CG2 3.48Å; A328-I414 VanDerWaalsContact CB-CG2 3.48Å; L375-I414 HydrophobicContact CB-CG2 3.99Å; L375-I414 HydrophobicContact CD2-CG2 3.91Å; L375-I414 HydrophobicContact CG-CG2 4.47Å; F376-I414 HydrophobicContact CD1-CD1 3.63Å; F376-I414 HydrophobicContact CD1-CG1 4.18Å; F376-I414 HydrophobicContact CE1-CD1 4.04Å; S412-I414 VanDerWaalsContact C-N 3.31Å; S412-I414 VanDerWaalsContact OG-CG1 3.3Å; S412-I414 WeakPolarHBondContact OG-CG1 3.13Å; S412-I414 PolarHBondContact OG-N 2.79Å; I414-F417 HydrophobicContact CD1-CD1 4.32Å; I414-F417 HydrophobicContact CD1-CE1 4.03Å; I414-F417 HydrophobicContact CG1-CD1 4.33Å; I414-F417 HydrophobicContact CG1-CE1 4.11Å
415G92.4Very high94.9Very high41 Ų4169 Ų6942%0.42336%0.36SS..  trans94.2171-175.400000112.9S412S412-G415 VanDerWaalsContact CB-O 3.23Å; S412-G415 WeakPolarHBondContact CB-O 3.4Å; S412-G415 PolarHBondContact OG-N 2.89Å; S412-G415 PolarHBondContact OG-O 3.39Å
416W94.2Very high95Very high218 Ų21865.5 Ų65.583%0.82634%0.342SS*.  trans-71.4139.2177.3-179.490.7000110.9
417F95.5Very high95.1Very high10 Ų1060.6 Ų60.64%0.04433%0.327CS..  trans-151.2159172.865.5-91.7000110.9I324 F376 L378 L409 I414 P419 L422I324-F417 HydrophobicContact CD1-CB 4.48Å; I324-F417 HydrophobicContact CD1-CD2 3.68Å; I324-F417 HydrophobicContact CD1-CE2 4.02Å; I324-F417 HydrophobicContact CD1-CG 4.06Å; I324-F417 HydrophobicContact CG1-CB 4.41Å; I324-F417 HydrophobicContact CG1-CD2 4.46Å; I324-F417 HydrophobicContact CG1-CG 4.5Å; I324-F417 HydrophobicContact CG2-CB 3.43Å; I324-F417 VanDerWaalsContact CG2-CB 3.43Å; I324-F417 HydrophobicContact CG2-CD1 3.87Å; I324-F417 HydrophobicContact CG2-CD2 4.41Å; I324-F417 HydrophobicContact CG2-CG 3.67Å; F376-F417 HydrophobicContact CB-CE1 4.01Å; F376-F417 HydrophobicContact CB-CZ 4.13Å; F376-F417 HydrophobicContact CD1-CE1 4.11Å; F376-F417 HydrophobicContact CD1-CZ 4.06Å; F376-F417 HydrophobicContact CD2-CZ 4.01Å; F376-F417 HydrophobicContact CE1-CZ 4.49Å; F376-F417 HydrophobicContact CE2-CZ 4.45Å; F376-F417 HydrophobicContact CG-CE1 4.02Å; F376-F417 AromaticContact CG-CZ 3.8Å; F376-F417 HydrophobicContact CG-CZ 3.8Å; L378-F417 HydrophobicContact CD2-CE2 4.5Å; L378-F417 HydrophobicContact CD2-CZ 4.32Å; L409-F417 HydrophobicContact CD1-CD1 4.41Å; L409-F417 HydrophobicContact CD1-CE1 3.61Å; L409-F417 HydrophobicContact CD1-CE2 4.21Å; L409-F417 HydrophobicContact CD1-CZ 3.49Å; L409-F417 VanDerWaalsContact CD1-CZ 3.49Å; L409-F417 HydrophobicContact CD2-CD1 3.92Å; L409-F417 HydrophobicContact CD2-CE1 3.95Å; L409-F417 HydrophobicContact CD2-CG 4.32Å; L409-F417 HydrophobicContact CD2-CZ 4.37Å; L409-F417 HydrophobicContact CG-CE1 4.45Å; I414-F417 HydrophobicContact CD1-CD1 4.32Å; I414-F417 HydrophobicContact CD1-CE1 4.03Å; I414-F417 HydrophobicContact CG1-CD1 4.33Å; I414-F417 HydrophobicContact CG1-CE1 4.11Å; F417-P419 WeakPolarHBondContact O-CD 3.19Å; F417-L422 HydrophobicContact CE2-CD1 3.66Å; F417-L422 HydrophobicContact CE2-CG 4.33Å; F417-L422 HydrophobicContact CZ-CD1 4.03Å
418Q94.4Very high95.1Very high109 Ų10962.3 Ų62.351%0.50933%0.334SS..  trans-82.6121.7175.1-172172.8-26.800110.4D420 V421Q418-D420 HydrophobicContact CG-CB 4.38Å; Q418-D420 PolarHBondContact NE2-OD2 2.93Å; Q418-D420 PolarHBondContact O-N 2.88Å; Q418-D420 VanDerWaalsContact O-N 3.17Å; Q418-V421 PolarHBondContact O-N 2.94Å
419P94.1Very high95.1Very high16 Ų1658.4 Ų58.410%0.10432%0.316CS..G310 helixtrans-63.6-21.5-174.3-25.534.6000115.9L378 I407 L409 F417 V421 L422L378-P419 HydrophobicContact CD2-CB 4.45Å; I407-P419 HydrophobicContact CB-CB 3.99Å; I407-P419 HydrophobicContact CG2-CB 3.51Å; I407-P419 HydrophobicContact CG2-CG 4.46Å; L409-P419 HydrophobicContact CB-CG 3.89Å; F417-P419 WeakPolarHBondContact O-CD 3.19Å; P419-V421 PolarHBondContact O-N 2.97Å; P419-V421 VanDerWaalsContact O-N 3.11Å; P419-L422 PolarHBondContact O-N 3.02Å
420D91Very high95Very high88 Ų8856.3 Ų56.347%0.47131%0.305SS..G310 helixtrans-57.3-29.1-177.7-66.8-52.1000113.1Q418 L422 K423Q418-D420 HydrophobicContact CG-CB 4.38Å; Q418-D420 PolarHBondContact NE2-OD2 2.93Å; Q418-D420 PolarHBondContact O-N 2.88Å; Q418-D420 VanDerWaalsContact O-N 3.17Å; D420-L422 PolarHBondContact O-N 2.85Å; D420-K423 VanDerWaalsContact O-CB 3.29Å; D420-K423 WeakPolarHBondContact O-CB 3.28Å; D420-K423 PolarHBondContact O-N 3.14Å
421V93Very high95Very high76 Ų7654.3 Ų54.346%0.46130%0.297SS..G310 helixtrans-59.3-28175.1-176.60000111.8L323 I324 Q418 P419L323-V421 HydrophobicContact CD1-CG1 4.44Å; I324-V421 HydrophobicContact CD1-CG1 4.44Å; I324-V421 HydrophobicContact CG1-CG1 4.31Å; Q418-V421 PolarHBondContact O-N 2.94Å; P419-V421 PolarHBondContact O-N 2.97Å; P419-V421 VanDerWaalsContact O-N 3.11Å
422L95.7Very high95Very high0 Ų051.9 Ų51.90%029%0.287CS..G310 helixtrans-96.4-4179.4-58.3-176.8000113.3I321 I324 F376 L378 F417 P419 D420 N424 I425 I426I321-L422 HydrophobicContact CG1-CD2 4.3Å; I324-L422 HydrophobicContact CD1-CD1 4.15Å; I324-L422 HydrophobicContact CD1-CD2 3.75Å; I324-L422 HydrophobicContact CD1-CG 3.88Å; F376-L422 HydrophobicContact CE1-CD1 4.42Å; F376-L422 HydrophobicContact CE2-CD1 3.81Å; F376-L422 HydrophobicContact CZ-CD1 3.66Å; L378-L422 HydrophobicContact CD1-CD1 4.36Å; F417-L422 HydrophobicContact CE2-CD1 3.66Å; F417-L422 HydrophobicContact CE2-CG 4.33Å; F417-L422 HydrophobicContact CZ-CD1 4.03Å; P419-L422 PolarHBondContact O-N 3.02Å; D420-L422 PolarHBondContact O-N 2.85Å; L422-N424 PolarHBondContact O-N 2.88Å; L422-I425 HydrophobicContact CB-CG2 4.31Å; L422-I425 HydrophobicContact CD2-CG2 4.36Å; L422-I425 VanDerWaalsContact O-CG2 3.23Å; L422-I425 WeakPolarHBondContact O-CG2 3.27Å; L422-I425 PolarHBondContact O-N 3.17Å; L422-I426 HydrophobicContact CB-CG1 3.85Å; L422-I426 WeakPolarHBondContact O-CB 3.45Å; L422-I426 VanDerWaalsContact O-CG1 3.23Å; L422-I426 WeakPolarHBondContact O-CG1 3.29Å; L422-I426 PolarHBondContact O-N 2.78Å
423K94.9Very high94.9Very high79 Ų7950.8 Ų50.834%0.34328%0.279SS..Hα-helixtrans-53.6-48.2-169.3-178.6171.7-177.6161.30113.9S404 I407 D420 T427S404-K423 WeakPolarHBondContact O-CE 3.34Å; S404-K423 PolarHBondContact O-NZ 2.98Å; I407-K423 HydrophobicContact CD1-CB 4.02Å; I407-K423 HydrophobicContact CD1-CG 4.05Å; D420-K423 VanDerWaalsContact O-CB 3.29Å; D420-K423 WeakPolarHBondContact O-CB 3.28Å; D420-K423 PolarHBondContact O-N 3.14Å; K423-T427 WeakPolarHBondContact O-CB 3.35Å; K423-T427 PolarHBondContact O-N 2.89Å; K423-T427 PolarHBondContact O-OG1 3.41Å
424N95.3Very high94.9Very high127 Ų12747.7 Ų47.768%0.67925%0.247SC*.Hα-helixtrans-64.9-47.1-177.2-68.4-12.3000111.5L422 T427 E428L422-N424 PolarHBondContact O-N 2.88Å; N424-T427 PolarHBondContact O-N 3Å; N424-E428 WeakPolarHBondContact O-CB 3.3Å; N424-E428 PolarHBondContact O-N 3.12Å
425I96.5Very high94.8Very high4 Ų447.4 Ų47.42%0.02125%0.245CC..Hα-helixtrans-71-36.1-177.4-168.560.2000112.2I313 R316 L317 L422 E428 I429I313-I425 HydrophobicContact CB-CD1 4.46Å; I313-I425 HydrophobicContact CG2-CD1 3.74Å; I313-I425 HydrophobicContact CG2-CG1 4.5Å; R316-I425 HydrophobicContact CB-CD1 3.68Å; R316-I425 HydrophobicContact CB-CG1 4.48Å; L317-I425 HydrophobicContact CB-CG1 3.91Å; L317-I425 HydrophobicContact CD1-CG1 4.25Å; L317-I425 HydrophobicContact CD1-CG2 4Å; L422-I425 HydrophobicContact CB-CG2 4.31Å; L422-I425 HydrophobicContact CD2-CG2 4.36Å; L422-I425 VanDerWaalsContact O-CG2 3.23Å; L422-I425 WeakPolarHBondContact O-CG2 3.27Å; L422-I425 PolarHBondContact O-N 3.17Å; I425-E428 PolarHBondContact O-N 2.74Å; I425-I429 HydrophobicContact CG1-CD1 4.32Å; I425-I429 VanDerWaalsContact O-CG1 3.28Å; I425-I429 WeakPolarHBondContact O-CG1 3.25Å; I425-I429 PolarHBondContact O-N 2.88Å
426I95.8Very high94.9Very high0 Ų048.8 Ų48.80%025%0.247CC..Hα-helixtrans-65.4-43.9175.1-68.1-63.3000111.2L363 L378 I380 I407 L422 E428 I429 I430L363-I426 HydrophobicContact CD1-CD1 4.01Å; L363-I426 HydrophobicContact CD1-CG2 4.22Å; L363-I426 HydrophobicContact CD2-CD1 3.77Å; L378-I426 HydrophobicContact CD1-CD1 3.8Å; L378-I426 HydrophobicContact CD1-CG1 3.91Å; I380-I426 HydrophobicContact CD1-CG2 3.44Å; I380-I426 VanDerWaalsContact CD1-CG2 3.44Å; I380-I426 HydrophobicContact CG1-CG2 4.47Å; I407-I426 HydrophobicContact CD1-CB 4.33Å; I407-I426 HydrophobicContact CD1-CG2 4.14Å; L422-I426 HydrophobicContact CB-CG1 3.85Å; L422-I426 WeakPolarHBondContact O-CB 3.45Å; L422-I426 VanDerWaalsContact O-CG1 3.23Å; L422-I426 WeakPolarHBondContact O-CG1 3.29Å; L422-I426 PolarHBondContact O-N 2.78Å; I426-E428 VanDerWaalsContact C-N 3.27Å; I426-E428 PolarHBondContact O-N 2.89Å; I426-I429 HydrophobicContact CD1-CD1 4.37Å; I426-I429 PolarHBondContact O-N 3.06Å; I426-I430 HydrophobicContact CG2-CD1 3.99Å; I426-I430 WeakPolarHBondContact O-CG1 3.42Å; I426-I430 PolarHBondContact O-N 2.94Å
427T96.3Very high94.9Very high31 Ų3142 Ų4219%0.1923%0.227CC..Hα-helixtrans-60.8-40.6176.1-55.80000110.9S404 K423 N424 I430 L431S404-T427 WeakPolarHBondContact CB-OG1 3.48Å; S404-T427 PolarHBondContact OG-OG1 2.66Å; K423-T427 WeakPolarHBondContact O-CB 3.35Å; K423-T427 PolarHBondContact O-N 2.89Å; K423-T427 PolarHBondContact O-OG1 3.41Å; N424-T427 PolarHBondContact O-N 3Å; T427-I430 PolarHBondContact O-N 2.75Å; T427-L431 VanDerWaalsContact O-CB 3.26Å; T427-L431 WeakPolarHBondContact O-CB 3.22Å; T427-L431 PolarHBondContact O-N 2.77Å
428E96.6Very high94.8Very high52 Ų5241.7 Ų41.724%0.24323%0.225CC..Hα-helixtrans-68.2-37178.2-168173.6169.700113.1I313 R316 N424 I425 I426 S432I313-E428 HydrophobicContact CD1-CG 3.89Å; I313-E428 HydrophobicContact CG1-CG 4.2Å; R316-E428 IonicContact CZ-OE1 3.34Å; R316-E428 IonicContact CZ-OE2 2.78Å; R316-E428 IonicContact NH1-OE1 3.87Å; R316-E428 PolarHBondContact NH1-OE1 2.87Å; R316-E428 IonicContact NH1-OE2 3.31Å; R316-E428 PolarHBondContact NH1-OE2 3.35Å; R316-E428 IonicContact NH2-OE2 3.62Å; R316-E428 PolarHBondContact NH2-OE2 2.85Å; N424-E428 WeakPolarHBondContact O-CB 3.3Å; N424-E428 PolarHBondContact O-N 3.12Å; I425-E428 PolarHBondContact O-N 2.74Å; I426-E428 VanDerWaalsContact C-N 3.27Å; I426-E428 PolarHBondContact O-N 2.89Å; E428-S432 VanDerWaalsContact O-CB 3.26Å; E428-S432 WeakPolarHBondContact O-CB 3.15Å; E428-S432 PolarHBondContact O-N 2.74Å; E428-S432 PolarHBondContact O-OG 3.08Å
429I96.4Very high94.8Very high1 Ų137.9 Ų37.91%0.00521%0.209CC..Hα-helixtrans-61-49.8171.9-71.5163.2000110.3L306 I313 L317 V338 I340 L363 I425 I426 L431 S432 V433L306-I429 HydrophobicContact CD1-CG1 4.33Å; L306-I429 HydrophobicContact CD2-CD1 4.15Å; L306-I429 HydrophobicContact CD2-CG1 4.43Å; I313-I429 HydrophobicContact CG2-CD1 4.19Å; I313-I429 HydrophobicContact CG2-CG1 3.37Å; L317-I429 HydrophobicContact CD1-CD1 4.27Å; L317-I429 HydrophobicContact CD2-CD1 4.09Å; V338-I429 HydrophobicContact CG1-CG2 4.16Å; I340-I429 HydrophobicContact CD1-CG2 3.98Å; L363-I429 HydrophobicContact CD1-CG2 4.34Å; I425-I429 HydrophobicContact CG1-CD1 4.32Å; I425-I429 VanDerWaalsContact O-CG1 3.28Å; I425-I429 WeakPolarHBondContact O-CG1 3.25Å; I425-I429 PolarHBondContact O-N 2.88Å; I426-I429 HydrophobicContact CD1-CD1 4.37Å; I426-I429 PolarHBondContact O-N 3.06Å; I429-L431 PolarHBondContact O-N 3.43Å; I429-S432 PolarHBondContact O-N 3.11Å; I429-V433 HydrophobicContact CG2-CG2 4.5Å; I429-V433 WeakPolarHBondContact O-CB 3.45Å; I429-V433 WeakPolarHBondContact O-CG2 3.34Å; I429-V433 PolarHBondContact O-N 3.19Å
430I95.3Very high94.7Very high0 Ų039.5 Ų39.50%023%0.228CC..Hα-helixtrans-63.2-43.9-180-66.7171.3000110.6I361 L363 I380 I402 I426 T427 S432 V433 L434 L435I361-I430 HydrophobicContact CD1-CD1 4.12Å; I361-I430 HydrophobicContact CD1-CG2 4.2Å; L363-I430 HydrophobicContact CD1-CG1 4.35Å; I380-I430 HydrophobicContact CD1-CD1 3.78Å; I380-I430 HydrophobicContact CG2-CD1 4.19Å; I402-I430 HydrophobicContact CD1-CG2 3.45Å; I402-I430 VanDerWaalsContact CD1-CG2 3.45Å; I402-I430 HydrophobicContact CG1-CG2 4.07Å; I402-I430 HydrophobicContact CG2-CG2 4.25Å; I426-I430 HydrophobicContact CG2-CD1 3.99Å; I426-I430 WeakPolarHBondContact O-CG1 3.42Å; I426-I430 PolarHBondContact O-N 2.94Å; T427-I430 PolarHBondContact O-N 2.75Å; I430-S432 VanDerWaalsContact C-N 3.27Å; I430-S432 PolarHBondContact O-N 3.48Å; I430-V433 PolarHBondContact O-N 3.35Å; I430-L434 HydrophobicContact CG2-CB 3.92Å; I430-L434 HydrophobicContact CG2-CD2 3.87Å; I430-L434 HydrophobicContact CG2-CG 4.5Å; I430-L434 WeakPolarHBondContact O-CB 3.42Å; I430-L434 PolarHBondContact O-N 3.47Å; I430-L435 PolarHBondContact O-N 3.47Å
431L95.8Very high94.6Very high77 Ų7740.1 Ų40.140%0.40323%0.226SC..Hα-helixtrans-58.8-38.2175.3-177.876.1000112.3I402 T427 I429 L435 P436I402-L431 HydrophobicContact CG2-CB 3.96Å; I402-L431 HydrophobicContact CG2-CD1 3.75Å; I402-L431 HydrophobicContact CG2-CG 4.5Å; T427-L431 VanDerWaalsContact O-CB 3.26Å; T427-L431 WeakPolarHBondContact O-CB 3.22Å; T427-L431 PolarHBondContact O-N 2.77Å; I429-L431 PolarHBondContact O-N 3.43Å; L431-L435 HydrophobicContact CD1-CD2 3.83Å; L431-P436 VanDerWaalsContact O-CD 3.3Å; L431-P436 WeakPolarHBondContact O-CD 3.44Å
432S95.8Very high94.6Very high45 Ų4536.9 Ų36.932%0.31521%0.207SC..Hα-helixtrans-86.3-24.3-175.3-55.90000113.4I313 E428 I429 I430I313-S432 VanDerWaalsContact CD1-OG 3.29Å; I313-S432 WeakPolarHBondContact CD1-OG 3.4Å; E428-S432 VanDerWaalsContact O-CB 3.26Å; E428-S432 WeakPolarHBondContact O-CB 3.15Å; E428-S432 PolarHBondContact O-N 2.74Å; E428-S432 PolarHBondContact O-OG 3.08Å; I429-S432 PolarHBondContact O-N 3.11Å; I430-S432 VanDerWaalsContact C-N 3.27Å; I430-S432 PolarHBondContact O-N 3.48Å
433V94.7Very high94.2Very high7 Ų746 Ų464%0.04224%0.241CC..Hα-helixtrans-109.9-60.4-175.6178.40000111.5F302 V304 L310 I340 I429 I430 N437F302-V433 HydrophobicContact CB-CG1 4.34Å; V304-V433 HydrophobicContact CG2-CG1 3.55Å; V304-V433 HydrophobicContact CG2-CG2 4.15Å; L310-V433 HydrophobicContact CD1-CG2 3.69Å; I340-V433 HydrophobicContact CD1-CB 3.85Å; I340-V433 HydrophobicContact CD1-CG1 3.78Å; I429-V433 HydrophobicContact CG2-CG2 4.5Å; I429-V433 WeakPolarHBondContact O-CB 3.45Å; I429-V433 WeakPolarHBondContact O-CG2 3.34Å; I429-V433 PolarHBondContact O-N 3.19Å; I430-V433 PolarHBondContact O-N 3.35Å; V433-N437 PolarHBondContact O-ND2 3.49Å
434L93.9Very high93.8Very high0 Ų046 Ų460%025%0.251CS..Hα-helixtrans-69.6-51.8-170.8-179.262.9000111.4F302 T342 I361 I402 I430 N437 Q438F302-L434 HydrophobicContact CD2-CD1 3.74Å; F302-L434 HydrophobicContact CE2-CD1 3.29Å; F302-L434 HydrophobicContact CZ-CD1 4.12Å; T342-L434 HydrophobicContact CG2-CD1 3.85Å; T342-L434 HydrophobicContact CG2-CD2 4.03Å; I361-L434 HydrophobicContact CD1-CD2 3.46Å; I361-L434 VanDerWaalsContact CD1-CD2 3.46Å; I361-L434 HydrophobicContact CG1-CD2 4.24Å; I402-L434 HydrophobicContact CD1-CD2 4.29Å; I430-L434 HydrophobicContact CG2-CB 3.92Å; I430-L434 HydrophobicContact CG2-CD2 3.87Å; I430-L434 HydrophobicContact CG2-CG 4.5Å; I430-L434 WeakPolarHBondContact O-CB 3.42Å; I430-L434 PolarHBondContact O-N 3.47Å; L434-N437 PolarHBondContact O-N 3.42Å; L434-Q438 HydrophobicContact CD1-CG 4.02Å; L434-Q438 HydrophobicContact CG-CG 4.34Å; L434-Q438 PolarHBondContact O-N 3.46Å
435L93.8Very high93.4Very high14 Ų1440.6 Ų40.67%0.07323%0.226CC..Hα-helixtrans-59.9-46-172.2-167.870.5000113L399 I402 I430 L431 N437 Q438 N439L399-L435 HydrophobicContact CB-CD1 3.46Å; L399-L435 VanDerWaalsContact CB-CD1 3.46Å; I402-L435 HydrophobicContact CB-CD1 4.41Å; I402-L435 HydrophobicContact CG2-CB 4.38Å; I402-L435 HydrophobicContact CG2-CD2 4.22Å; I430-L435 PolarHBondContact O-N 3.47Å; L431-L435 HydrophobicContact CD1-CD2 3.83Å; L435-N437 VanDerWaalsContact C-N 3.34Å; L435-N437 PolarHBondContact O-N 3.47Å; L435-Q438 PolarHBondContact O-N 3.41Å; L435-N439 WeakPolarHBondContact O-CB 3.35Å; L435-N439 PolarHBondContact O-N 3.08Å
436P94.6Very high93.2Very high70 Ų7041.1 Ų41.146%0.45523%0.229SC..Hα-helixtrans-67.2-33.9178.9-21.936.3000112.8L431 G440L431-P436 VanDerWaalsContact O-CD 3.3Å; L431-P436 WeakPolarHBondContact O-CD 3.44Å; P436-G440 PolarHBondContact O-N 3.17Å
437N92.9Very high92.7Very high76 Ų7643.7 Ų43.741%0.40625%0.245SC..Hα-helixtrans-69.2-42.8177-81.5-72.5000111.7F302 V433 L434 L435 G440 K441F302-N437 HydrophobicContact CD1-CB 4.19Å; F302-N437 HydrophobicContact CE1-CB 3.44Å; F302-N437 VanDerWaalsContact CE1-CB 3.44Å; F302-N437 HydrophobicContact CZ-CB 3.85Å; V433-N437 PolarHBondContact O-ND2 3.49Å; L434-N437 PolarHBondContact O-N 3.42Å; L435-N437 VanDerWaalsContact C-N 3.34Å; L435-N437 PolarHBondContact O-N 3.47Å; N437-G440 PolarHBondContact O-N 2.79Å; N437-K441 PolarHBondContact O-N 3.2Å
438Q92.9Very high92.1Very high3 Ų342.8 Ų42.81%0.01424%0.24CC..Hα-helixtrans-64-49.1174.9-71.6-173.7-30.400111.4L297 L399 L434 L435 G440 K441 L442L297-Q438 HydrophobicContact CD2-CB 4.08Å; L297-Q438 HydrophobicContact CD2-CG 4.15Å; L399-Q438 HydrophobicContact CD1-CB 4.33Å; L434-Q438 HydrophobicContact CD1-CG 4.02Å; L434-Q438 HydrophobicContact CG-CG 4.34Å; L434-Q438 PolarHBondContact O-N 3.46Å; L435-Q438 PolarHBondContact O-N 3.41Å; Q438-G440 PolarHBondContact O-N 2.85Å; Q438-K441 WeakPolarHBondContact O-CB 3.16Å; Q438-K441 PolarHBondContact O-N 3.24Å; Q438-L442 WeakPolarHBondContact O-CG 3.4Å; Q438-L442 PolarHBondContact O-N 3.44Å
439N94.7Very high91.4Very high30 Ų3042.3 Ų42.316%0.1624%0.243CC..Hα-helixtrans-62.8-31.2176.2-77.3-20.6000112.5N398 L399 L435 K441 L442 R443N398-N439 PolarHBondContact OD1-ND2 2.74Å; L399-N439 WeakPolarHBondContact CB-OD1 3.5Å; L399-N439 PolarHBondContact N-OD1 3.49Å; L399-N439 PolarHBondContact O-ND2 2.97Å; L435-N439 WeakPolarHBondContact O-CB 3.35Å; L435-N439 PolarHBondContact O-N 3.08Å; N439-K441 VanDerWaalsContact C-N 3.25Å; N439-K441 PolarHBondContact O-N 3.14Å; N439-L442 PolarHBondContact O-N 3.33Å; N439-R443 WeakPolarHBondContact O-CB 3.35Å; N439-R443 PolarHBondContact O-N 2.95Å
440G92.7Very high91Very high49 Ų4942.9 Ų42.951%0.50525%0.246SC..Hα-helixtrans-58.1-37.3172.500000113P436 N437 Q438P436-G440 PolarHBondContact O-N 3.17Å; N437-G440 PolarHBondContact O-N 2.79Å; Q438-G440 PolarHBondContact O-N 2.85Å
441K88.9Confident90.5Very high101 Ų10143.1 Ų43.144%0.43925%0.247SC..Hα-helixtrans-78-40.8176.8-67.6175.4177.6177.70112.4E300 N437 Q438 N439 R443 S444E300-K441 IonicContact OE1-NZ 2.58Å; E300-K441 PolarHBondContact OE1-NZ 3.32Å; E300-K441 IonicContact OE2-NZ 2.65Å; E300-K441 PolarHBondContact OE2-NZ 2.93Å; N437-K441 PolarHBondContact O-N 3.2Å; Q438-K441 WeakPolarHBondContact O-CB 3.16Å; Q438-K441 PolarHBondContact O-N 3.24Å; N439-K441 VanDerWaalsContact C-N 3.25Å; N439-K441 PolarHBondContact O-N 3.14Å; K441-R443 PolarHBondContact O-N 2.88Å; K441-S444 PolarHBondContact O-OG 3.24Å
442L92.3Very high90Very high8 Ų845.7 Ų45.74%0.04226%0.255CS..Hα-helixtrans-71.4-16.3178.9-61.6173.4000113.2M296 L297 L397 L399 Q438 N439 S444 G445M296-L442 HydrophobicContact CB-CD2 3.83Å; M296-L442 HydrophobicContact SD-CD2 4.42Å; L297-L442 HydrophobicContact CD2-CD1 4.05Å; L297-L442 HydrophobicContact CD2-CD2 4.11Å; L297-L442 HydrophobicContact CD2-CG 4.15Å; L297-L442 HydrophobicContact CG-CD2 4.26Å; L397-L442 HydrophobicContact CB-CD1 4.42Å; L397-L442 HydrophobicContact CD2-CD1 4.07Å; L397-L442 HydrophobicContact CD2-CD2 4.24Å; L397-L442 HydrophobicContact CG-CD1 4.02Å; L397-L442 VanDerWaalsContact O-CB 3.23Å; L397-L442 WeakPolarHBondContact O-CB 3.41Å; L399-L442 HydrophobicContact CD1-CD1 4.23Å; L399-L442 HydrophobicContact CG-CD1 3.96Å; Q438-L442 WeakPolarHBondContact O-CG 3.4Å; Q438-L442 PolarHBondContact O-N 3.44Å; N439-L442 PolarHBondContact O-N 3.33Å; L442-S444 PolarHBondContact O-N 3.21Å; L442-G445 PolarHBondContact O-N 3.15Å
443R88.6Confident89.5Confident191 Ų19144.8 Ų44.872%0.72125%0.25SS*.THydrogen-bonded Turntrans-60.9-27.6-174.5-171.9174.3-178.2-177.61.6114.5N439 K441 G445N439-R443 WeakPolarHBondContact O-CB 3.35Å; N439-R443 PolarHBondContact O-N 2.95Å; K441-R443 PolarHBondContact O-N 2.88Å; R443-G445 PolarHBondContact O-N 2.93Å
444S85.6Confident89.2Confident80 Ų8044.4 Ų44.456%0.55925%0.248SC*.THydrogen-bonded Turntrans-70.2-15.3175.4600000112.8E394 K441 L442E394-S444 VanDerWaalsContact CD-O 3.23Å; K441-S444 PolarHBondContact O-OG 3.24Å; L442-S444 PolarHBondContact O-N 3.21Å
445G88.4Confident88.9Confident14 Ų1444.7 Ų44.714%0.14425%0.251CS..  trans59.7-167.9-176.900000113.6L395 L442 R443L395-G445 CarbonylContact O-C 3.6Å; L395-G445 WeakPolarHBondContact O-CA 3.35Å; L442-G445 PolarHBondContact O-N 3.15Å; R443-G445 PolarHBondContact O-N 2.93Å
446V90.4Very high88.6Confident14 Ų1444.2 Ų44.29%0.08525%0.248CC..EExtended strand (participates in β ladder)trans-120.7123.4-179.3178.70000108I223 L225 M296 E394 L395 V448I223-V446 HydrophobicContact CG2-CG1 3.03Å; L225-V446 HydrophobicContact CD2-CG1 4.05Å; L225-V446 HydrophobicContact CD2-CG2 3.77Å; M296-V446 HydrophobicContact CE-CG2 4.49Å; M296-V446 HydrophobicContact SD-CG2 3.48Å; M296-V446 WeakPolarHBondContact SD-CG2 3.24Å; E394-V446 WeakPolarHBondContact CA-O 3.36Å; L395-V446 HydrophobicContact CB-CB 4.46Å; L395-V446 PolarHBondContact N-O 3.2Å; L395-V446 PolarHBondContact O-N 3.07Å; V446-V448 PolarHBondContact O-N 3.35Å
447P86.8Confident88.1Confident54 Ų5446.1 Ų46.135%0.35125%0.251SS..EExtended strand (participates in β ladder)trans-67.9125.9-178.326.9-33.4000110.8S449P447-S449 PolarHBondContact O-N 3.39Å
448V82.4Confident87.7Confident13 Ų1343.8 Ų43.88%0.07924%0.243CC..  trans-102.765.6176.5-1620000109.6D393 L395 V446 V450 V451 L470D393-V448 PolarHBondContact O-N 3.21Å; L395-V448 HydrophobicContact CB-CG2 3.55Å; V446-V448 PolarHBondContact O-N 3.35Å; V448-V450 PolarHBondContact O-N 3.1Å; V448-V451 HydrophobicContact CB-CG2 4.03Å; V448-V451 HydrophobicContact CG1-CG2 3.52Å; V448-V451 WeakPolarHBondContact O-CB 3.39Å; V448-V451 PolarHBondContact O-N 3.12Å; V448-L470 HydrophobicContact CG1-CD1 3.72Å; V448-L470 HydrophobicContact CG2-CD1 4.43Å
449S83.3Confident87.5Confident42 Ų4243.9 Ų43.929%0.29424%0.244SC..Hα-helixtrans-54.5-29.9-174.956.10000114P447 V451 K452 A453P447-S449 PolarHBondContact O-N 3.39Å; S449-V451 VanDerWaalsContact C-N 3.25Å; S449-V451 PolarHBondContact O-N 3.34Å; S449-K452 PolarHBondContact O-N 3.4Å; S449-A453 VanDerWaalsContact O-CB 3.26Å; S449-A453 WeakPolarHBondContact O-CB 3.21Å; S449-A453 PolarHBondContact O-N 3.13Å
450V86.8Confident87.2Confident13 Ų1347.8 Ų47.88%0.07926%0.261CS..Hα-helixtrans-54.5-39.9175.8174.10000111.7L29 V448 A453 L454L29-V450 HydrophobicContact CD1-CG1 4.04Å; L29-V450 HydrophobicContact CD2-CG1 4.19Å; V448-V450 PolarHBondContact O-N 3.1Å; V450-A453 PolarHBondContact O-N 2.72Å; V450-L454 HydrophobicContact CG1-CD1 3.82Å; V450-L454 HydrophobicContact CG1-CG 4.24Å; V450-L454 WeakPolarHBondContact O-CB 3.33Å; V450-L454 WeakPolarHBondContact O-CG 3.49Å; V450-L454 PolarHBondContact O-N 3.27Å
451V85.8Confident87.1Confident4 Ų446.8 Ų46.82%0.02425%0.246CC..Hα-helixtrans-63.8-53-176.31790000110.6F280 V448 S449 A453 L454 G455 F456 A459F280-V451 HydrophobicContact CZ-CB 4.42Å; F280-V451 HydrophobicContact CZ-CG1 4.3Å; F280-V451 HydrophobicContact CZ-CG2 4.03Å; V448-V451 HydrophobicContact CB-CG2 4.03Å; V448-V451 HydrophobicContact CG1-CG2 3.52Å; V448-V451 WeakPolarHBondContact O-CB 3.39Å; V448-V451 PolarHBondContact O-N 3.12Å; S449-V451 VanDerWaalsContact C-N 3.25Å; S449-V451 PolarHBondContact O-N 3.34Å; V451-A453 VanDerWaalsContact C-N 3.33Å; V451-A453 PolarHBondContact O-N 3.31Å; V451-L454 PolarHBondContact O-N 3.32Å; V451-G455 PolarHBondContact O-N 3.25Å; V451-F456 CarbonylContact C-O 3.57Å; V451-F456 HydrophobicContact CG1-CB 3.78Å; V451-F456 PolarHBondContact O-N 3.48Å; V451-A459 HydrophobicContact CB-CB 4.31Å; V451-A459 HydrophobicContact CG1-CB 3.82Å; V451-A459 HydrophobicContact CG2-CB 3.51Å
452K84.2Confident87.1Confident131 Ų13144.7 Ų44.757%0.5724%0.244SC*.Hα-helixtrans-63.3-41.3178.7-171.9177.4-176.5175.40111.7S449 L454 G455 F456S449-K452 PolarHBondContact O-N 3.4Å; K452-L454 VanDerWaalsContact C-N 3.3Å; K452-L454 PolarHBondContact O-N 3.15Å; K452-G455 WeakPolarHBondContact O-CA 3.32Å; K452-G455 PolarHBondContact O-N 3.01Å; K452-F456 VanDerWaalsContact CA-O 3.27Å; K452-F456 WeakPolarHBondContact CA-O 3.48Å
453A85.9Confident86.9Confident26 Ų2645.6 Ų45.622%0.21525%0.249CC..Hα-helixtrans-69.2-27.7-179.600000113.4K39 L218 S449 V450 V451 G455K39-A453 VanDerWaalsContact CE-O 3.24Å; K39-A453 WeakPolarHBondContact CE-O 3.5Å; K39-A453 PolarHBondContact NZ-O 3.39Å; L218-A453 HydrophobicContact CD1-CB 3.72Å; L218-A453 HydrophobicContact CD2-CB 3.34Å; L218-A453 HydrophobicContact CG-CB 4.08Å; S449-A453 VanDerWaalsContact O-CB 3.26Å; S449-A453 WeakPolarHBondContact O-CB 3.21Å; S449-A453 PolarHBondContact O-N 3.13Å; V450-A453 PolarHBondContact O-N 2.72Å; V451-A453 VanDerWaalsContact C-N 3.33Å; V451-A453 PolarHBondContact O-N 3.31Å; A453-G455 PolarHBondContact O-N 3.36Å
454L89.2Confident86.6Confident0 Ų038.9 Ų38.90%023%0.229CC..THydrogen-bonded Turntrans-76.9-3.4169.1-67.5179.6000113.2L29 L31 V35 L215 L218 F280 V450 V451 K452 F456 W476L29-L454 HydrophobicContact CD1-CD1 4.34Å; L31-L454 HydrophobicContact CD2-CD1 3.99Å; L31-L454 HydrophobicContact CD2-CD2 3.96Å; V35-L454 HydrophobicContact CG1-CD2 3.86Å; L215-L454 HydrophobicContact CD2-CD2 3.96Å; L218-L454 HydrophobicContact CD1-CD2 3.84Å; L218-L454 HydrophobicContact CD1-CG 4.31Å; F280-L454 HydrophobicContact CB-CD1 3.99Å; F280-L454 HydrophobicContact CD1-CD1 3.83Å; F280-L454 HydrophobicContact CD2-CD1 3.84Å; F280-L454 HydrophobicContact CE1-CD1 4.28Å; F280-L454 HydrophobicContact CE2-CD1 4.31Å; F280-L454 HydrophobicContact CG-CD1 3.6Å; V450-L454 HydrophobicContact CG1-CD1 3.82Å; V450-L454 HydrophobicContact CG1-CG 4.24Å; V450-L454 WeakPolarHBondContact O-CB 3.33Å; V450-L454 WeakPolarHBondContact O-CG 3.49Å; V450-L454 PolarHBondContact O-N 3.27Å; V451-L454 PolarHBondContact O-N 3.32Å; K452-L454 VanDerWaalsContact C-N 3.3Å; K452-L454 PolarHBondContact O-N 3.15Å; L454-F456 HydrophobicContact CB-CD2 3.88Å; L454-F456 HydrophobicContact CB-CE2 4.08Å; L454-F456 WeakPolarHBondContact O-CE2 3.08Å; L454-W476 VanDerWaalsContact O-CD1 3.26Å; L454-W476 PolarHBondContact O-NE1 3.43Å
455G86.6Confident86.2Confident5 Ų541.5 Ų41.55%0.05223%0.231CC..THydrogen-bonded Turntrans88.929.9177.500000113.8V451 K452 A453 W476 K477V451-G455 PolarHBondContact O-N 3.25Å; K452-G455 WeakPolarHBondContact O-CA 3.32Å; K452-G455 PolarHBondContact O-N 3.01Å; A453-G455 PolarHBondContact O-N 3.36Å; G455-W476 CarbonylContact O-C 3.43Å; G455-W476 WeakPolarHBondContact O-CA 3.4Å; G455-W476 VanDerWaalsContact O-CD1 3.3Å; G455-K477 CarbonylContact C-O 3.59Å; G455-K477 VanDerWaalsContact CA-O 3.23Å; G455-K477 WeakPolarHBondContact CA-O 3.35Å; G455-K477 PolarHBondContact O-N 2.82Å
456F87.9Confident85.7Confident4 Ų443.4 Ų43.42%0.01824%0.237CC..  trans-116.1139175.9-61.7-87.7000110V35 P279 F280 V451 K452 L454 P472 S474 W476V35-F456 HydrophobicContact CG2-CE2 3.92Å; V35-F456 HydrophobicContact CG2-CZ 4.15Å; P279-F456 HydrophobicContact CB-CE1 4.06Å; P279-F456 HydrophobicContact CB-CE2 4.28Å; P279-F456 HydrophobicContact CB-CZ 3.44Å; P279-F456 VanDerWaalsContact CB-CZ 3.44Å; P279-F456 HydrophobicContact CG-CE1 4.01Å; P279-F456 HydrophobicContact CG-CZ 3.92Å; F280-F456 AromaticContact CD1-CD2 3.77Å; F280-F456 HydrophobicContact CD1-CD2 3.77Å; F280-F456 AromaticContact CD1-CE2 3.58Å; F280-F456 HydrophobicContact CD1-CE2 3.58Å; F280-F456 HydrophobicContact CD1-CZ 4.25Å; F280-F456 HydrophobicContact CE1-CB 4.41Å; F280-F456 AromaticContact CE1-CD2 3.41Å; F280-F456 HydrophobicContact CE1-CD2 3.41Å; F280-F456 VanDerWaalsContact CE1-CD2 3.41Å; F280-F456 AromaticContact CE1-CE2 3.75Å; F280-F456 HydrophobicContact CE1-CE2 3.75Å; F280-F456 AromaticContact CE1-CG 3.91Å; F280-F456 HydrophobicContact CE1-CG 3.91Å; F280-F456 HydrophobicContact CE1-CZ 4.49Å; V451-F456 CarbonylContact C-O 3.57Å; V451-F456 HydrophobicContact CG1-CB 3.78Å; V451-F456 PolarHBondContact O-N 3.48Å; K452-F456 VanDerWaalsContact CA-O 3.27Å; K452-F456 WeakPolarHBondContact CA-O 3.48Å; L454-F456 HydrophobicContact CB-CD2 3.88Å; L454-F456 HydrophobicContact CB-CE2 4.08Å; L454-F456 WeakPolarHBondContact O-CE2 3.08Å; F456-P472 HydrophobicContact CB-CB 4.49Å; F456-P472 HydrophobicContact CD1-CB 3.52Å; F456-P472 HydrophobicContact CE1-CB 3.78Å; F456-P472 HydrophobicContact CE1-CG 4.32Å; F456-P472 HydrophobicContact CG-CB 3.93Å; F456-P472 HydrophobicContact CZ-CB 4.41Å; F456-S474 WeakPolarHBondContact CD1-O 3.4Å; F456-W476 HydrophobicContact CD1-CB 4.39Å; F456-W476 HydrophobicContact CE1-CB 3.81Å; F456-W476 HydrophobicContact CE1-CG 4.49Å; F456-W476 AromaticContact CE2-CD1 3.86Å; F456-W476 HydrophobicContact CZ-CB 4.06Å; F456-W476 AromaticContact CZ-CD1 3.8Å; F456-W476 HydrophobicContact CZ-CG 4.33Å
457E84.2Confident85.5Confident110 Ų11042.7 Ų42.751%0.51423%0.233SC..SBendtrans-79.7-28.9-178.7-70.1-176.2152.800112.8S474 K477E457-S474 PolarHBondContact N-OG 3.37Å; E457-K477 HydrophobicContact CG-CD 4.13Å; E457-K477 WeakPolarHBondContact OE1-CD 3.05Å; E457-K477 WeakPolarHBondContact OE1-CE 3.34Å; E457-K477 IonicContact OE1-NZ 3.83Å; E457-K477 PolarHBondContact OE1-NZ 3.49Å; E457-K477 WeakPolarHBondContact OE2-CE 3.47Å; E457-K477 IonicContact OE2-NZ 2.81Å; E457-K477 PolarHBondContact OE2-NZ 2.94Å
458A84.1Confident85.7Confident28 Ų2840.5 Ų40.523%0.23122%0.219CC..  trans-145.4147.9-177.700000110.8A473 S474A458-A473 HydrophobicContact CB-CB 4.21Å; A458-A473 PolarHBondContact O-N 3.02Å; A458-S474 PolarHBondContact N-OG 2.93Å; A458-S474 PolarHBondContact O-OG 2.9Å; A458-S474 VanDerWaalsContact O-OG 3.1Å
459A87.9Confident86.1Confident4 Ų440.5 Ų40.53%0.03322%0.219CC..EExtended strand (participates in β ladder)trans-110.9165.2167.600000110.6T390 V451 T471T390-A459 WeakPolarHBondContact CB-O 3.41Å; T390-A459 HydrophobicContact CG2-CB 4.38Å; T390-A459 WeakPolarHBondContact CG2-O 3.37Å; T390-A459 PolarHBondContact OG1-O 3.24Å; V451-A459 HydrophobicContact CB-CB 4.31Å; V451-A459 HydrophobicContact CG1-CB 3.82Å; V451-A459 HydrophobicContact CG2-CB 3.51Å; A459-T471 CarbonylContact C-O 3.59Å; A459-T471 WeakPolarHBondContact CA-O 3.08Å; A459-T471 WeakPolarHBondContact CB-O 3.26Å
460E89.3Confident86.4Confident113 Ų11338.8 Ų38.853%0.52821%0.206SC..EExtended strand (participates in β ladder)trans-111.5144165.8-95.5161.2-147.800107.4L470 T471 A473E460-L470 WeakPolarHBondContact O-CA 3.42Å; E460-T471 PolarHBondContact N-O 3.48Å; E460-T471 PolarHBondContact O-N 3.31Å; E460-A473 HydrophobicContact CB-CB 4.19Å; E460-A473 HydrophobicContact CG-CB 3.65Å
461S90.1Very high86.6Confident28 Ų2839.6 Ų39.620%0.19621%0.211CC..EExtended strand (participates in β ladder)trans-111.5137.3175.260.20000110.6F388 Y389 V469F388-S461 PolarHBondContact O-OG 3.26Å; Y389-S461 WeakPolarHBondContact CA-OG 3.5Å; S461-V469 CarbonylContact C-O 3.54Å; S461-V469 WeakPolarHBondContact CA-O 3.46Å
462S88.8Confident86.8Confident57 Ų5740.3 Ų40.340%0.39922%0.215SC..EExtended strand (participates in β ladder)trans-136.1148.917159.90000110.7V469S462-V469 PolarHBondContact N-O 3.11Å; S462-V469 PolarHBondContact O-N 3.36Å
463L88.1Confident86.8Confident27 Ų2736.2 Ų36.214%0.14121%0.206CC..EExtended strand (participates in β ladder)trans-101.3133.2175.5-78.9166.2000109.9T350 A355 F388 L468T350-L463 HydrophobicContact CG2-CD1 4.4Å; T350-L463 HydrophobicContact CG2-CD2 3.93Å; A355-L463 HydrophobicContact CB-CD1 3.59Å; F388-L463 HydrophobicContact CD2-CD1 3.87Å; F388-L463 HydrophobicContact CD2-CD2 4.21Å; F388-L463 HydrophobicContact CD2-CG 4.19Å; F388-L463 HydrophobicContact CE2-CD1 4.34Å; F388-L463 HydrophobicContact CE2-CD2 4.31Å; L463-L468 HydrophobicContact CD2-CB 4.35Å; L463-L468 HydrophobicContact CD2-CD1 3.87Å; L463-L468 HydrophobicContact CG-CD1 4.16Å
464T83Confident86.3Confident49 Ų4936.4 Ų36.430%0.30121%0.206SC..  trans-119.1176.1173.973.30000110.5Q286 D466 G467 V469Q286-T464 PolarHBondContact NE2-O 3.36Å; Q286-T464 VanDerWaalsContact NE2-O 3.16Å; T464-D466 PolarHBondContact O-N 2.9Å; T464-D466 PolarHBondContact OG1-N 3.49Å; T464-G467 PolarHBondContact N-O 2.96Å; T464-G467 PolarHBondContact OG1-N 3.18Å; T464-G467 VanDerWaalsContact OG1-N 3.14Å; T464-G467 PolarHBondContact OG1-O 3.39Å; T464-V469 HydrophobicContact CG2-CG2 3.68Å
465K77.5Confident85.7Confident136 Ų13643.1 Ų43.159%0.59124%0.241SC*.SBendtrans-63.9-17.4172.8-67.8-174.2178-177.70113.2Q286Q286-K465 VanDerWaalsContact CD-O 3.3Å; Q286-K465 PolarHBondContact NE2-O 3.38Å
466D77.8Confident85Confident53 Ų5345.1 Ų45.128%0.28325%0.247SC..SBendtrans-109.5-22.5-173.3-52.2-59.7000112.3L270 A271 S285 Q286 T464L270-D466 HydrophobicContact CD2-CB 4.06Å; L270-D466 WeakPolarHBondContact CD2-O 3.28Å; A271-D466 WeakPolarHBondContact CB-OD2 3.48Å; S285-D466 WeakPolarHBondContact CA-O 3.18Å; Q286-D466 PolarHBondContact N-O 2.87Å; T464-D466 PolarHBondContact O-N 2.9Å; T464-D466 PolarHBondContact OG1-N 3.49Å
467G86.6Confident84.2Confident0 Ų049.8 Ų49.80%027%0.268CS..EExtended strand (participates in β ladder)trans175-172-17800000115.9V284 T464V284-G467 CarbonylContact O-C 3.49Å; V284-G467 WeakPolarHBondContact O-CA 3.27Å; T464-G467 PolarHBondContact N-O 2.96Å; T464-G467 PolarHBondContact OG1-N 3.18Å; T464-G467 VanDerWaalsContact OG1-N 3.14Å; T464-G467 PolarHBondContact OG1-O 3.39Å
468L90.2Very high82.9Confident8 Ų848.4 Ų48.44%0.04227%0.268CS..EExtended strand (participates in β ladder)trans-89.3130.7166.9-178.673.6000108.8I283 V284 V289 F388 L395 L463I283-L468 WeakPolarHBondContact CA-O 3.23Å; V284-L468 PolarHBondContact N-O 3.17Å; V284-L468 PolarHBondContact O-N 3.01Å; V289-L468 HydrophobicContact CG2-CB 3.67Å; F388-L468 HydrophobicContact CB-CD1 4.19Å; F388-L468 HydrophobicContact CD1-CD1 4.5Å; F388-L468 HydrophobicContact CD1-CD2 4.45Å; F388-L468 HydrophobicContact CD2-CD1 4.23Å; F388-L468 HydrophobicContact CG-CD1 4.05Å; L395-L468 HydrophobicContact CD1-CD2 4.49Å; L395-L468 HydrophobicContact CD2-CD2 3.47Å; L395-L468 VanDerWaalsContact CD2-CD2 3.47Å; L463-L468 HydrophobicContact CD2-CB 4.35Å; L463-L468 HydrophobicContact CD2-CD1 3.87Å; L463-L468 HydrophobicContact CG-CD1 4.16Å
469V90.4Very high81.4Confident13 Ų1350 Ų508%0.07928%0.278CS..EExtended strand (participates in β ladder)trans-115.8130-179.1-176.60000109.4S281 I283 S461 S462 T464 T471S281-V469 WeakPolarHBondContact OG-CG1 3.44Å; I283-V469 HydrophobicContact CG1-CG1 4.19Å; I283-V469 HydrophobicContact CG1-CG2 4.19Å; I283-V469 HydrophobicContact CG2-CG2 4.25Å; S461-V469 CarbonylContact C-O 3.54Å; S461-V469 WeakPolarHBondContact CA-O 3.46Å; S462-V469 PolarHBondContact N-O 3.11Å; S462-V469 PolarHBondContact O-N 3.36Å; T464-V469 HydrophobicContact CG2-CG2 3.68Å; V469-T471 HydrophobicContact CG1-CG2 4.16Å
470L91.3Very high79.2Confident6 Ų655 Ų553%0.03131%0.312CS..EExtended strand (participates in β ladder)trans-115.4123.7176.5-65.8165.2000109.8S281 F282 T390 L395 V448 E460S281-L470 CarbonylContact C-O 3.59Å; S281-L470 WeakPolarHBondContact CA-O 3.25Å; F282-L470 HydrophobicContact CB-CB 4.29Å; F282-L470 HydrophobicContact CD1-CD1 3.99Å; F282-L470 PolarHBondContact N-O 2.9Å; F282-L470 PolarHBondContact O-N 3.13Å; T390-L470 HydrophobicContact CG2-CD2 4.42Å; L395-L470 HydrophobicContact CD1-CD2 4.17Å; V448-L470 HydrophobicContact CG1-CD1 3.72Å; V448-L470 HydrophobicContact CG2-CD1 4.43Å; E460-L470 WeakPolarHBondContact O-CA 3.42Å
471T90.6Very high76.6Confident29 Ų2953.6 Ų53.618%0.17832%0.32CS..EExtended strand (participates in β ladder)trans-127.5157.8179.249.70000110.2T278 A459 E460 V469T278-T471 HydrophobicContact CG2-CG2 3.87Å; A459-T471 CarbonylContact C-O 3.59Å; A459-T471 WeakPolarHBondContact CA-O 3.08Å; A459-T471 WeakPolarHBondContact CB-O 3.26Å; E460-T471 PolarHBondContact N-O 3.48Å; E460-T471 PolarHBondContact O-N 3.31Å; V469-T471 HydrophobicContact CG1-CG2 4.16Å
472P89.1Confident73.8Confident19 Ų1958.4 Ų58.412%0.12335%0.348CS..EExtended strand (participates in β ladder)trans-64.8136.8174.624.6-32.6000112T278 P279 F280 F456T278-P472 HydrophobicContact CG2-CG 3.9Å; P279-P472 HydrophobicContact CB-CG 4.11Å; P279-P472 HydrophobicContact CG-CG 3.8Å; F280-P472 HydrophobicContact CD1-CB 4.24Å; F280-P472 HydrophobicContact CD1-CG 3.96Å; F280-P472 HydrophobicContact CE1-CB 3.67Å; F280-P472 HydrophobicContact CE1-CG 3.85Å; F280-P472 HydrophobicContact CZ-CB 4.34Å; F280-P472 VanDerWaalsContact O-CD 3.23Å; F280-P472 WeakPolarHBondContact O-CD 3.24Å; F456-P472 HydrophobicContact CB-CB 4.49Å; F456-P472 HydrophobicContact CD1-CB 3.52Å; F456-P472 HydrophobicContact CE1-CB 3.78Å; F456-P472 HydrophobicContact CE1-CG 4.32Å; F456-P472 HydrophobicContact CG-CB 3.93Å; F456-P472 HydrophobicContact CZ-CB 4.41Å
473A83.9Confident71Confident46 Ų4661.2 Ų61.238%0.3837%0.368SS..  trans-106.8-2172.600000112.8A458 E460A458-A473 HydrophobicContact CB-CB 4.21Å; A458-A473 PolarHBondContact O-N 3.02Å; E460-A473 HydrophobicContact CB-CB 4.19Å; E460-A473 HydrophobicContact CG-CB 3.65Å
474S76.6Confident68.2Low30 Ų3072.1 Ų72.121%0.2142%0.418CS..SBendtrans-129.3161.3-171.654.70000111.3F456 E457 A458F456-S474 WeakPolarHBondContact CD1-O 3.4Å; E457-S474 PolarHBondContact N-OG 3.37Å; A458-S474 PolarHBondContact N-OG 2.93Å; A458-S474 PolarHBondContact O-OG 2.9Å; A458-S474 VanDerWaalsContact O-OG 3.1Å
475L76.4Confident67.5Low141 Ų14173.3 Ų73.374%0.73842%0.424SS*.  trans-70.8144.6168.6-69.4169.9000109.6K477L475-K477 PolarHBondContact O-N 3.31Å
476W71.4Confident66.9Low47 Ų4769.9 Ų69.918%0.17842%0.415CS..  trans-60.3129.7177.1-177.480.7000110.6E38 L454 G455 F456 P478E38-W476 HydrophobicContact CB-CD2 4.3Å; E38-W476 HydrophobicContact CB-CH2 3.86Å; E38-W476 HydrophobicContact CB-CZ2 3.53Å; E38-W476 HydrophobicContact CB-CZ3 4.4Å; E38-W476 HydrophobicContact CG-CD2 3.92Å; E38-W476 HydrophobicContact CG-CE3 4Å; E38-W476 HydrophobicContact CG-CH2 4.01Å; E38-W476 HydrophobicContact CG-CZ2 3.98Å; E38-W476 HydrophobicContact CG-CZ3 4.03Å; E38-W476 VanDerWaalsContact OE2-CH2 3.23Å; E38-W476 WeakPolarHBondContact OE2-CH2 3.49Å; E38-W476 VanDerWaalsContact OE2-CZ3 3.25Å; E38-W476 WeakPolarHBondContact OE2-CZ3 3.42Å; L454-W476 VanDerWaalsContact O-CD1 3.26Å; L454-W476 PolarHBondContact O-NE1 3.43Å; G455-W476 CarbonylContact O-C 3.43Å; G455-W476 WeakPolarHBondContact O-CA 3.4Å; G455-W476 VanDerWaalsContact O-CD1 3.3Å; F456-W476 HydrophobicContact CD1-CB 4.39Å; F456-W476 HydrophobicContact CE1-CB 3.81Å; F456-W476 HydrophobicContact CE1-CG 4.49Å; F456-W476 AromaticContact CE2-CD1 3.86Å; F456-W476 HydrophobicContact CZ-CB 4.06Å; F456-W476 AromaticContact CZ-CD1 3.8Å; F456-W476 HydrophobicContact CZ-CG 4.33Å; W476-P478 HydrophobicContact CH2-CB 3.81Å; W476-P478 HydrophobicContact CH2-CG 4.38Å; W476-P478 HydrophobicContact CZ2-CB 4.19Å; W476-P478 HydrophobicContact CZ3-CB 4.32Å; W476-P478 HydrophobicContact CZ3-CG 4.41Å
477K70.3Confident66.3Low102 Ų10270.9 Ų70.944%0.44342%0.422SS..  trans-126.2130.8170.9-67.8-173.2-170.4170.30108.6G455 E457 L475 S479G455-K477 CarbonylContact C-O 3.59Å; G455-K477 VanDerWaalsContact CA-O 3.23Å; G455-K477 WeakPolarHBondContact CA-O 3.35Å; G455-K477 PolarHBondContact O-N 2.82Å; E457-K477 HydrophobicContact CG-CD 4.13Å; E457-K477 WeakPolarHBondContact OE1-CD 3.05Å; E457-K477 WeakPolarHBondContact OE1-CE 3.34Å; E457-K477 IonicContact OE1-NZ 3.83Å; E457-K477 PolarHBondContact OE1-NZ 3.49Å; E457-K477 WeakPolarHBondContact OE2-CE 3.47Å; E457-K477 IonicContact OE2-NZ 2.81Å; E457-K477 PolarHBondContact OE2-NZ 2.94Å; L475-K477 PolarHBondContact O-N 3.31Å; K477-S479 PolarHBondContact O-N 3.49Å
478P56.8Low65.1Low81 Ų8175.1 Ų75.153%0.52645%0.447SS..PPolyproline II helixtrans-60.2127.8177.123.9-31.4000109.3W476 S480W476-P478 HydrophobicContact CH2-CB 3.81Å; W476-P478 HydrophobicContact CH2-CG 4.38Å; W476-P478 HydrophobicContact CZ2-CB 4.19Å; W476-P478 HydrophobicContact CZ3-CB 4.32Å; W476-P478 HydrophobicContact CZ3-CG 4.41Å; P478-S480 PolarHBondContact O-N 3.38Å; P478-S480 VanDerWaalsContact O-N 3.1Å
479S52.5Low63.6Low62 Ų6279.3 Ų79.343%0.43447%0.472SS..PPolyproline II helixtrans-57.8116.4167.252.60000107.8K477 A481K477-S479 PolarHBondContact O-N 3.49Å; S479-A481 PolarHBondContact O-N 3.2Å; S479-A481 VanDerWaalsContact O-N 3.12Å
480S41.8Very low61.8Low108 Ų10883.7 Ų83.776%0.75550%0.498SS*.PPolyproline II helixtrans-56.5121.6170.548.90000107.2P478 V482P478-S480 PolarHBondContact O-N 3.38Å; P478-S480 VanDerWaalsContact O-N 3.1Å; S480-V482 PolarHBondContact O-N 3Å
481A36.6Very low59.7Low84 Ų8489.2 Ų89.269%0.69453%0.532SS*.PPolyproline II helixtrans-47.7121.9172.700000107.7S479 S483S479-A481 PolarHBondContact O-N 3.2Å; S479-A481 VanDerWaalsContact O-N 3.12Å; A481-S483 VanDerWaalsContact C-N 3.32Å; A481-S483 PolarHBondContact O-N 3.43Å
482V30.7Very low57.3Low129 Ų12993.8 Ų93.878%0.78256%0.559SS**  trans-57.9107.4167.3174.80000104.6S480 Q484S480-V482 PolarHBondContact O-N 3Å; V482-Q484 PolarHBondContact O-N 2.79Å
483S29.3Very low54.6Low116 Ų116100.1 Ų100.181%0.81160%0.595SS**  trans-63105.1170.6-35.10000105.3A481A481-S483 VanDerWaalsContact C-N 3.32Å; A481-S483 PolarHBondContact O-N 3.43Å
484Q29.5Very low52Low255 Ų255105 Ų105100%1.19262%0.615SS**  trans-86.60161.3-80-170.5-12.500108.9V482V482-Q484 PolarHBondContact O-N 2.79Å

Retrieved 484 of 484 residues in 1138.3 ms (Link to these results)

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