A0A087YA95_POEFO Loading...

Ubiquitin carboxyl-terminal hydrolase

AlphaFold DB , UniProt , Accession A0A087YA95, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 863 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
1M34.7Very low64.4Low244 Ų24485.3 Ų85.3100%1.20250%0.504SS*.  0105.10-76-169.5-82.200105.9A3M1-A3 PolarHBondContact O-N 3.14Å
2A40.8Very low66Low108 Ų10882.3 Ų82.389%0.89348%0.48SS*.  trans-75.2103.8171.900000105.9
3A50.9Low67.3Low61 Ų6179.7 Ų79.750%0.50446%0.461SS..  trans-60.3135.6164.400000106.8M1 L5M1-A3 PolarHBondContact O-N 3.14Å; A3-L5 PolarHBondContact O-N 3.08Å
4D67.1Low68.6Low101 Ų10182.2 Ų82.254%0.5448%0.482SS..  trans-54.1126173.4-171.9-15000107.9G6 E7 L8D4-G6 PolarHBondContact O-N 3.09Å; D4-G6 PolarHBondContact OD1-N 3.06Å; D4-G6 VanDerWaalsContact OD1-N 3.16Å; D4-E7 HydrophobicContact CB-CB 4.37Å; D4-E7 HydrophobicContact CB-CG 4.14Å; D4-E7 PolarHBondContact O-N 2.92Å; D4-L8 PolarHBondContact O-N 2.94Å
5L65.8Low69.9Low32 Ų3279.7 Ų79.717%0.16847%0.468CS..Hα-helixtrans-53.7-30.7179.8-111.982.7000110.9A3 L9 I129 L137A3-L5 PolarHBondContact O-N 3.08Å; L5-L9 PolarHBondContact O-N 2.86Å; L5-I129 HydrophobicContact CD2-CB 4.35Å; L5-I129 HydrophobicContact CD2-CD1 3.78Å; L5-I129 HydrophobicContact CD2-CG1 3.88Å; L5-I129 HydrophobicContact CD2-CG2 3.55Å; L5-I129 HydrophobicContact CG-CD1 4.18Å; L5-I129 HydrophobicContact CG-CG1 4.47Å; L5-L137 HydrophobicContact CD2-CD2 4.32Å
6G63.7Low71.1Confident15 Ų1575.4 Ų75.416%0.15544%0.442CS..Hα-helixtrans-58.9-50.9172.200000112.7D4 L8 L9 V10D4-G6 PolarHBondContact O-N 3.09Å; D4-G6 PolarHBondContact OD1-N 3.06Å; D4-G6 VanDerWaalsContact OD1-N 3.16Å; G6-L8 VanDerWaalsContact C-N 3.32Å; G6-L8 PolarHBondContact O-N 3.23Å; G6-L9 PolarHBondContact O-N 2.82Å; G6-V10 VanDerWaalsContact O-CG2 3.23Å; G6-V10 WeakPolarHBondContact O-CG2 3.24Å; G6-V10 PolarHBondContact O-N 3.34Å
7E68.9Low72.4Confident137 Ų13777.5 Ų77.564%0.6444%0.441SS*.Hα-helixtrans-63.9-34.9-179.3-72.6-173.9166.400112.7D4 L9 P11D4-E7 HydrophobicContact CB-CB 4.37Å; D4-E7 HydrophobicContact CB-CG 4.14Å; D4-E7 PolarHBondContact O-N 2.92Å; E7-L9 VanDerWaalsContact C-N 3.31Å; E7-L9 PolarHBondContact O-N 2.99Å; E7-P11 WeakPolarHBondContact O-CD 3.17Å
8L76.1Confident73.4Confident63 Ų6375.7 Ų75.733%0.3343%0.431SS..Hα-helixtrans-66.4-33178.3-170.670.4000112.4D4 G6 P11 F12 I122 F127D4-L8 PolarHBondContact O-N 2.94Å; G6-L8 VanDerWaalsContact C-N 3.32Å; G6-L8 PolarHBondContact O-N 3.23Å; L8-P11 WeakPolarHBondContact O-CD 3.35Å; L8-F12 WeakPolarHBondContact O-CD2 3.22Å; L8-F12 WeakPolarHBondContact O-CE2 3.23Å; L8-I122 HydrophobicContact CD2-CD1 4.01Å; L8-I122 HydrophobicContact CG-CD1 4.25Å; L8-F127 HydrophobicContact CD2-CD1 3.41Å; L8-F127 VanDerWaalsContact CD2-CD1 3.41Å; L8-F127 HydrophobicContact CD2-CE1 3.44Å; L8-F127 VanDerWaalsContact CD2-CE1 3.44Å; L8-F127 HydrophobicContact CD2-CG 4Å; L8-F127 HydrophobicContact CD2-CZ 4.06Å
9L77.1Confident74.2Confident0 Ų072.8 Ų72.80%042%0.416CS..Hα-helixtrans-89.3-20.9-177.1-75.5169.9000113.8L5 G6 E7 P11 F12 M13 L120 I122 I129 L137L5-L9 PolarHBondContact O-N 2.86Å; G6-L9 PolarHBondContact O-N 2.82Å; E7-L9 VanDerWaalsContact C-N 3.31Å; E7-L9 PolarHBondContact O-N 2.99Å; L9-P11 VanDerWaalsContact C-CD 3.42Å; L9-F12 PolarHBondContact O-N 3.36Å; L9-M13 WeakPolarHBondContact O-CG 3.4Å; L9-M13 PolarHBondContact O-N 3.47Å; L9-M13 VanDerWaalsContact O-N 3.1Å; L9-L120 HydrophobicContact CD1-CD2 4.29Å; L9-L120 HydrophobicContact CD2-CD2 3.88Å; L9-I122 HydrophobicContact CD2-CD1 3.56Å; L9-I122 HydrophobicContact CD2-CG1 4.31Å; L9-I122 HydrophobicContact CG-CD1 4.32Å; L9-I129 HydrophobicContact CD1-CD1 4.19Å; L9-L137 HydrophobicContact CD1-CD2 3.47Å; L9-L137 VanDerWaalsContact CD1-CD2 3.47Å
10V80.1Confident74.9Confident85 Ų8577.1 Ų77.152%0.51543%0.429SS..G310 helixtrans-49.3-46.5-179.5177.50000113.2G6 F12 M13G6-V10 VanDerWaalsContact O-CG2 3.23Å; G6-V10 WeakPolarHBondContact O-CG2 3.24Å; G6-V10 PolarHBondContact O-N 3.34Å; V10-F12 PolarHBondContact O-N 3.35Å; V10-M13 HydrophobicContact CG2-CE 4.4Å; V10-M13 PolarHBondContact O-N 3.36Å
11P82.7Confident74.9Confident92 Ų9280.5 Ų80.560%0.59745%0.452SS*.G310 helixtrans-63-25.9-178.8-21.934.3000113.5E7 L8 L9E7-P11 WeakPolarHBondContact O-CD 3.17Å; L8-P11 WeakPolarHBondContact O-CD 3.35Å; L9-P11 VanDerWaalsContact C-CD 3.42Å
12F84.4Confident76.9Confident50 Ų5071.4 Ų71.422%0.21942%0.422CS..G310 helixtrans-100.4-13.2-173.4-53.5-72000113.7L8 L9 V10 P14 T15 V69 I122L8-F12 WeakPolarHBondContact O-CD2 3.22Å; L8-F12 WeakPolarHBondContact O-CE2 3.23Å; L9-F12 PolarHBondContact O-N 3.36Å; V10-F12 PolarHBondContact O-N 3.35Å; F12-P14 VanDerWaalsContact C-N 3.3Å; F12-T15 WeakPolarHBondContact O-CB 3.08Å; F12-T15 PolarHBondContact O-N 3.07Å; F12-T15 PolarHBondContact O-OG1 2.71Å; F12-V69 HydrophobicContact CB-CG2 3.44Å; F12-V69 VanDerWaalsContact CB-CG2 3.44Å; F12-V69 HydrophobicContact CD1-CG2 4.31Å; F12-V69 HydrophobicContact CD2-CG2 4.41Å; F12-V69 HydrophobicContact CG-CG2 3.82Å; F12-I122 HydrophobicContact CD2-CG2 4.19Å; F12-I122 HydrophobicContact CE2-CG2 3.74Å; F12-I122 HydrophobicContact CZ-CG2 3.95Å
13M82Confident79Confident48 Ų4869 Ų6924%0.23639%0.394CS..G310 helixtrans-49-40.6179.4-73.4-173.5-177.700114.8L9 V10 T15 I16 P138L9-M13 WeakPolarHBondContact O-CG 3.4Å; L9-M13 PolarHBondContact O-N 3.47Å; L9-M13 VanDerWaalsContact O-N 3.1Å; V10-M13 HydrophobicContact CG2-CE 4.4Å; V10-M13 PolarHBondContact O-N 3.36Å; M13-T15 PolarHBondContact O-N 2.57Å; M13-T15 VanDerWaalsContact O-N 3.12Å; M13-I16 PolarHBondContact O-N 3.23Å; M13-I16 VanDerWaalsContact O-N 3.08Å; M13-P138 HydrophobicContact CE-CB 3.32Å; M13-P138 HydrophobicContact CE-CG 3.21Å
14P86.6Confident80.7Confident115 Ų11572.5 Ų72.575%0.74739%0.394SS*.G310 helixtrans-62.4-20.2178.4-23.535.3000114.1F12F12-P14 VanDerWaalsContact C-N 3.3Å
15T87.4Confident81.8Confident45 Ų4567.7 Ų67.728%0.27637%0.368SS..G310 helixtrans-93.3-4.7179.672.50000113.2F12 M13 N48F12-T15 WeakPolarHBondContact O-CB 3.08Å; F12-T15 PolarHBondContact O-N 3.07Å; F12-T15 PolarHBondContact O-OG1 2.71Å; M13-T15 PolarHBondContact O-N 2.57Å; M13-T15 VanDerWaalsContact O-N 3.12Å; T15-N48 WeakPolarHBondContact O-CA 3.45Å; T15-N48 WeakPolarHBondContact O-CB 3.41Å
16I90Very high82.9Confident10 Ų1066.8 Ų66.85%0.05136%0.363CS..  trans-94.8116.7178.6-61.5173.3000108M13 M47 V69 V141 A144M13-I16 PolarHBondContact O-N 3.23Å; M13-I16 VanDerWaalsContact O-N 3.08Å; I16-M47 HydrophobicContact CG1-CB 4.37Å; I16-M47 HydrophobicContact CG2-CB 4.38Å; I16-M47 HydrophobicContact CG2-CE 4.29Å; I16-V69 HydrophobicContact CD1-CG1 4.08Å; I16-V69 HydrophobicContact CG1-CB 4.41Å; I16-V69 HydrophobicContact CG1-CG1 4.25Å; I16-V141 HydrophobicContact CD1-CG1 4.46Å; I16-V141 HydrophobicContact CD1-CG2 3.86Å; I16-A144 HydrophobicContact CG2-CB 3.69Å
17R92.4Very high84.1Confident112 Ų11266.3 Ų66.342%0.42336%0.356SS..  trans-105.2147.8175.6-73-177.456.3-166.3-9.7110.4D23 M47 N48 F50R17-D23 IonicContact NH2-OD1 2.91Å; R17-D23 IonicContact NH2-OD2 3.56Å; R17-M47 PolarHBondContact N-O 3.36Å; R17-N48 WeakPolarHBondContact CD-O 3.2Å; R17-N48 WeakPolarHBondContact CD-OD1 3.4Å; R17-N48 WeakPolarHBondContact CG-OD1 3.45Å; R17-F50 HydrophobicContact CB-CE1 4.23Å; R17-F50 HydrophobicContact CB-CZ 3.69Å; R17-F50 WeakPolarHBondContact O-CE1 3.05Å
18V90.5Very high84.8Confident44 Ų4461 Ų6127%0.26733%0.334SS..  trans-93.4124.7169.9-176.40000108.1L140 I143 A144 A147V18-L140 HydrophobicContact CG2-CD1 3.95Å; V18-I143 HydrophobicContact CG1-CG2 4.03Å; V18-I143 HydrophobicContact CG2-CG2 4.19Å; V18-A144 HydrophobicContact CG2-CB 3.96Å; V18-A147 HydrophobicContact CG1-CB 3.83Å
19P88.9Confident85.5Confident21 Ų2158.4 Ų58.414%0.13632%0.32CS..  trans-55.4136.2174.9-2430.6000112.6V25 F50 A147 V148P19-V25 HydrophobicContact CB-CG2 4.06Å; P19-V25 HydrophobicContact CG-CG2 4.11Å; P19-F50 HydrophobicContact CB-CE2 4.13Å; P19-F50 HydrophobicContact CB-CZ 4.14Å; P19-F50 HydrophobicContact CG-CD1 4.01Å; P19-F50 HydrophobicContact CG-CD2 4.41Å; P19-F50 HydrophobicContact CG-CE1 3.66Å; P19-F50 HydrophobicContact CG-CE2 4.07Å; P19-F50 HydrophobicContact CG-CG 4.38Å; P19-F50 HydrophobicContact CG-CZ 3.68Å; P19-A147 HydrophobicContact CG-CB 4.32Å; P19-V148 HydrophobicContact CG-CB 4.37Å; P19-V148 HydrophobicContact CG-CG2 3.48Å; P19-V148 VanDerWaalsContact CG-CG2 3.48Å
20K87.9Confident86.3Confident158 Ų15858.4 Ų58.469%0.68732%0.32SS*.  trans-109.2170.2174.9-61.2-179.6-177.8178.40111.4G22 D23K20-G22 PolarHBondContact O-N 3.41Å; K20-D23 PolarHBondContact N-OD2 3.41Å; K20-D23 PolarHBondContact O-N 2.88Å
21T75.5Confident87Confident149 Ų14954.4 Ų54.491%0.91430%0.296SS*.THydrogen-bonded Turntrans-59.85.3-176.5-38.50000116.3
22G75.8Confident87.6Confident54 Ų5450.4 Ų50.456%0.55727%0.27SS*.THydrogen-bonded Turntrans-124.4-10.5172.700000114.6K20K20-G22 PolarHBondContact O-N 3.41Å
23D84.6Confident88Confident58 Ų5848.3 Ų48.331%0.3126%0.261SS..  trans-77.2142.1-175-68.1-33.8000110.7R17 K20 F50R17-D23 IonicContact NH2-OD1 2.91Å; R17-D23 IonicContact NH2-OD2 3.56Å; K20-D23 PolarHBondContact N-OD2 3.41Å; K20-D23 PolarHBondContact O-N 2.88Å; D23-F50 HydrophobicContact CB-CD2 3.99Å; D23-F50 HydrophobicContact CB-CE2 3.99Å
24R86.4Confident88.5Confident133 Ų13347 Ų4750%0.50226%0.255SS..  trans-96.9121.5176.6-65-179.4-175.6175.4-1.3109.5Y26 A154R24-Y26 HydrophobicContact CB-CD2 4.48Å; R24-Y26 HydrophobicContact CB-CE2 3.81Å; R24-A154 HydrophobicContact CB-CB 4.17Å
25V89.9Confident88.7Confident1 Ų143 Ų431%0.00623%0.227CC..BIsolated β-bridgetrans-106110.3-179.8-178.60000110.1P19 K27 F50 V148 A151 A154P19-V25 HydrophobicContact CB-CG2 4.06Å; P19-V25 HydrophobicContact CG-CG2 4.11Å; V25-K27 HydrophobicContact CG1-CB 4.31Å; V25-K27 PolarHBondContact O-N 3.4Å; V25-K27 VanDerWaalsContact O-N 3.14Å; V25-F50 HydrophobicContact CB-CB 4.34Å; V25-F50 HydrophobicContact CG1-CB 4.36Å; V25-F50 HydrophobicContact CG2-CB 4Å; V25-F50 HydrophobicContact CG2-CD2 4.47Å; V25-F50 HydrophobicContact CG2-CG 4.22Å; V25-V148 HydrophobicContact CG1-CG1 3.64Å; V25-A151 HydrophobicContact CB-CB 3.95Å; V25-A151 HydrophobicContact CG1-CB 4.33Å; V25-A151 HydrophobicContact CG2-CB 3.59Å; V25-A154 PolarHBondContact O-N 3.05Å
26Y89.8Confident88.8Confident13 Ų1341.9 Ų41.95%0.05122%0.221CC..  trans-88.673.7-178.1-66.8-92.8000110.8R24 F50 L51 G52 A154 T363 M415R24-Y26 HydrophobicContact CB-CD2 4.48Å; R24-Y26 HydrophobicContact CB-CE2 3.81Å; Y26-F50 PolarHBondContact N-O 2.82Å; Y26-L51 HydrophobicContact CD2-CD2 3.73Å; Y26-L51 HydrophobicContact CE2-CD2 3.91Å; Y26-G52 VanDerWaalsContact O-CA 3.31Å; Y26-G52 WeakPolarHBondContact O-CA 3.42Å; Y26-G52 PolarHBondContact O-N 3.02Å; Y26-A154 HydrophobicContact CD1-CB 3.84Å; Y26-A154 HydrophobicContact CD2-CB 4.34Å; Y26-A154 HydrophobicContact CE1-CB 3.85Å; Y26-A154 HydrophobicContact CE2-CB 4.34Å; Y26-A154 HydrophobicContact CG-CB 4.1Å; Y26-T363 HydrophobicContact CD1-CG2 4.17Å; Y26-T363 HydrophobicContact CE1-CG2 3.9Å; Y26-T363 HydrophobicContact CE2-CG2 4.3Å; Y26-T363 HydrophobicContact CG-CG2 4.48Å; Y26-T363 PolarHBondContact OH-OG1 3.28Å; Y26-M415 HydrophobicContact CD1-CE 3.89Å; Y26-M415 HydrophobicContact CE1-CE 4.12Å
27K88.4Confident88.7Confident4 Ų441.4 Ų41.42%0.01722%0.218CC..  trans-94.8-3.3-17969.3-177.1-170.9-177.20115.2V25 P37 L43 V45 L73 L101 L149 A151V25-K27 HydrophobicContact CG1-CB 4.31Å; V25-K27 PolarHBondContact O-N 3.4Å; V25-K27 VanDerWaalsContact O-N 3.14Å; K27-P37 WeakPolarHBondContact O-CG 3.29Å; K27-L43 VanDerWaalsContact C-CD2 3.41Å; K27-L43 VanDerWaalsContact O-CD2 3.3Å; K27-L43 WeakPolarHBondContact O-CD2 3.27Å; K27-V45 HydrophobicContact CB-CG2 4.27Å; K27-L73 HydrophobicContact CB-CD1 3.92Å; K27-L101 WeakPolarHBondContact O-CD2 3.41Å; K27-L149 PolarHBondContact NZ-O 2.8Å; K27-A151 WeakPolarHBondContact CE-O 3.4Å; K27-A151 PolarHBondContact NZ-O 2.75Å
28S85.2Confident88.3Confident25 Ų2538 Ų3818%0.17521%0.207CC..SBendtrans-106.6-26.8-173.146.70000114.8S36 Y155S28-S36 WeakPolarHBondContact O-CB 3.34Å; S28-Y155 WeakPolarHBondContact OG-CE2 3.17Å
29E90.7Very high88.2Confident9 Ų937.4 Ų37.44%0.04221%0.205CC..SBendtrans-149.9142.8-172.7-167.2178.2118.900110.7D35 K372E29-D35 CarbonylContact C-O 3.42Å; E29-D35 WeakPolarHBondContact CA-O 3.45Å; E29-K372 WeakPolarHBondContact OE1-CE 3.31Å; E29-K372 IonicContact OE1-NZ 2.7Å; E29-K372 PolarHBondContact OE1-NZ 3.38Å
30C94Very high88Confident0 Ų044.6 Ų44.60%024%0.237CC..  trans-67.1146.2174.1175.70000112.1F32 S33 D35 L43 G52 G54 K372C30-F32 VanDerWaalsContact C-N 3.34Å; C30-F32 PolarHBondContact O-N 3.28Å; C30-F32 PolarHBondContact SG-N 3.18Å; C30-S33 WeakPolarHBondContact CB-O 3.42Å; C30-S33 WeakPolarHBondContact CB-OG 3.24Å; C30-S33 PolarHBondContact SG-N 3Å; C30-S33 VanDerWaalsContact SG-N 3.44Å; C30-S33 PolarHBondContact SG-OG 3.29Å; C30-D35 HydrophobicContact CB-CB 4.14Å; C30-D35 PolarHBondContact N-O 3.33Å; C30-L43 HydrophobicContact CB-CD1 3.89Å; C30-G52 CarbonylContact C-O 3.49Å; C30-G52 WeakPolarHBondContact CA-O 3.15Å; C30-G54 PolarHBondContact SG-N 2.9Å; C30-K372 PolarHBondContact O-NZ 3.11Å
31A94.1Very high87.8Confident1 Ų138 Ų381%0.00821%0.213CC..SBendtrans-64.1-32.9173.500000114.2G52 F53 P362 T363 Q369A31-G52 PolarHBondContact N-O 2.99Å; A31-F53 HydrophobicContact CB-CD1 4.42Å; A31-F53 HydrophobicContact CB-CE1 4.08Å; A31-P362 HydrophobicContact CB-CB 4.34Å; A31-P362 HydrophobicContact CB-CG 4.35Å; A31-T363 HydrophobicContact CB-CG2 3.95Å; A31-Q369 PolarHBondContact O-NE2 2.97Å
32F94.3Very high88.6Confident8 Ų830.9 Ų30.94%0.03517%0.169CC..SBendtrans-107.3-22.1-173.3-67.6-72.2000114.6C30 F53 H57 F355 P362 T368 K372C30-F32 VanDerWaalsContact C-N 3.34Å; C30-F32 PolarHBondContact O-N 3.28Å; C30-F32 PolarHBondContact SG-N 3.18Å; F32-F53 AromaticContact CD2-CD1 3.97Å; F32-F53 HydrophobicContact CD2-CD1 3.97Å; F32-F53 HydrophobicContact CD2-CE1 4.1Å; F32-F53 HydrophobicContact CE2-CD1 4.05Å; F32-F53 AromaticContact CE2-CE1 3.78Å; F32-F53 HydrophobicContact CE2-CE1 3.78Å; F32-H57 HydrophobicContact CB-CB 4.3Å; F32-H57 HydrophobicContact CD2-CB 4.01Å; F32-F355 HydrophobicContact CB-CD2 4.44Å; F32-F355 HydrophobicContact CB-CE2 4.05Å; F32-F355 HydrophobicContact CB-CZ 4.18Å; F32-F355 HydrophobicContact CD1-CB 4.16Å; F32-F355 AromaticContact CD1-CD1 3.62Å; F32-F355 HydrophobicContact CD1-CD1 3.62Å; F32-F355 AromaticContact CD1-CD2 3.98Å; F32-F355 HydrophobicContact CD1-CD2 3.98Å; F32-F355 AromaticContact CD1-CE1 3.88Å; F32-F355 HydrophobicContact CD1-CE1 3.88Å; F32-F355 HydrophobicContact CD1-CE2 4.22Å; F32-F355 AromaticContact CD1-CG 3.67Å; F32-F355 HydrophobicContact CD1-CG 3.67Å; F32-F355 HydrophobicContact CD1-CZ 4.17Å; F32-F355 HydrophobicContact CE1-CB 4.07Å; F32-F355 HydrophobicContact CE1-CD1 4.05Å; F32-F355 HydrophobicContact CE1-CG 4.06Å; F32-F355 HydrophobicContact CG-CD2 4.49Å; F32-F355 WeakPolarHBondContact O-CZ 3.48Å; F32-P362 HydrophobicContact CD1-CB 4.37Å; F32-P362 HydrophobicContact CE1-CB 3.69Å; F32-P362 HydrophobicContact CE1-CG 3.87Å; F32-P362 HydrophobicContact CE2-CB 4.33Å; F32-P362 HydrophobicContact CE2-CG 3.74Å; F32-P362 HydrophobicContact CZ-CB 3.68Å; F32-P362 HydrophobicContact CZ-CG 3.28Å; F32-T368 HydrophobicContact CD1-CG2 3.59Å; F32-T368 HydrophobicContact CE1-CG2 3.73Å; F32-K372 WeakPolarHBondContact O-CB 3.37Å; F32-K372 WeakPolarHBondContact O-CG 3.46Å
33S93.9Very high89.4Confident7 Ų728.3 Ų28.35%0.04914%0.143CC..SBendtrans-131.5177.6179.268.20000111.3C30 D35 K372C30-S33 WeakPolarHBondContact CB-O 3.42Å; C30-S33 WeakPolarHBondContact CB-OG 3.24Å; C30-S33 PolarHBondContact SG-N 3Å; C30-S33 VanDerWaalsContact SG-N 3.44Å; C30-S33 PolarHBondContact SG-OG 3.29Å; S33-D35 WeakPolarHBondContact OG-CB 3.24Å; S33-D35 PolarHBondContact OG-N 3.36Å; S33-D35 PolarHBondContact OG-OD2 2.98Å; S33-K372 WeakPolarHBondContact O-CE 3.37Å; S33-K372 PolarHBondContact O-NZ 3.28Å; S33-K372 VanDerWaalsContact O-NZ 3.13Å
34F92.1Very high89.9Confident21 Ų2126.3 Ų26.39%0.09213%0.131CC..SBendtrans-91.822.7170.4-64.8-77.1000112.4K372 L373 Y382 I411 S412F34-K372 HydrophobicContact CD2-CG 4.45Å; F34-K372 HydrophobicContact CE2-CG 4Å; F34-K372 WeakPolarHBondContact CE2-O 3.47Å; F34-K372 HydrophobicContact CZ-CG 4.13Å; F34-L373 HydrophobicContact CZ-CD1 4.31Å; F34-Y382 HydrophobicContact CB-CD1 4.37Å; F34-Y382 HydrophobicContact CB-CE1 3.72Å; F34-Y382 HydrophobicContact CB-CE2 4.33Å; F34-Y382 HydrophobicContact CD2-CE2 4.11Å; F34-Y382 PolarHBondContact N-OH 3.4Å; F34-Y382 VanDerWaalsContact N-OH 3.15Å; F34-I411 HydrophobicContact CB-CG2 4.47Å; F34-I411 HydrophobicContact CD1-CB 4.26Å; F34-I411 HydrophobicContact CD2-CB 4.06Å; F34-I411 HydrophobicContact CD2-CG2 3.74Å; F34-I411 HydrophobicContact CE1-CB 4.31Å; F34-I411 HydrophobicContact CE2-CB 4.11Å; F34-I411 HydrophobicContact CE2-CD1 3.88Å; F34-I411 HydrophobicContact CE2-CG2 4.11Å; F34-I411 HydrophobicContact CG-CB 4.13Å; F34-I411 HydrophobicContact CG-CG2 4.04Å; F34-I411 HydrophobicContact CZ-CB 4.23Å; F34-I411 HydrophobicContact CZ-CD1 4Å; F34-S412 WeakPolarHBondContact CE1-O 3.48Å
35D91.1Very high90.3Very high31 Ų3120 Ų2017%0.16611%0.107CC..  trans-66.6137.2174.1-61.7-19.7000110.1E29 C30 S33E29-D35 CarbonylContact C-O 3.42Å; E29-D35 WeakPolarHBondContact CA-O 3.45Å; C30-D35 HydrophobicContact CB-CB 4.14Å; C30-D35 PolarHBondContact N-O 3.33Å; S33-D35 WeakPolarHBondContact OG-CB 3.24Å; S33-D35 PolarHBondContact OG-N 3.36Å; S33-D35 PolarHBondContact OG-OD2 2.98Å
36S89.1Confident90.5Very high21 Ų2120 Ų2015%0.14711%0.107CC..  trans-126.7172.8177.3720000109.5S28 E38 S39S28-S36 WeakPolarHBondContact O-CB 3.34Å; S36-E38 PolarHBondContact O-N 2.58Å; S36-E38 VanDerWaalsContact O-N 3.07Å; S36-E38 PolarHBondContact OG-N 2.91Å; S36-S39 PolarHBondContact N-OG 3.34Å; S36-S39 WeakPolarHBondContact O-CB 3.16Å; S36-S39 PolarHBondContact O-N 3.31Å; S36-S39 PolarHBondContact O-OG 2.75Å
37P87.8Confident90.7Very high0 Ų019.3 Ų19.30%011%0.105CC..THydrogen-bonded Turntrans-59.5-19.8173.9-27.438.8000114K27 S39 L43 L73 K74 R75 L99 L101K27-P37 WeakPolarHBondContact O-CG 3.29Å; P37-S39 VanDerWaalsContact C-N 3.26Å; P37-S39 PolarHBondContact O-N 3.31Å; P37-L43 HydrophobicContact CG-CB 3.97Å; P37-L43 HydrophobicContact CG-CD2 4.26Å; P37-L73 HydrophobicContact CB-CB 4.27Å; P37-L73 HydrophobicContact CG-CB 4.19Å; P37-K74 CarbonylContact O-C 3.29Å; P37-K74 WeakPolarHBondContact O-CA 3.5Å; P37-R75 HydrophobicContact CB-CB 4.43Å; P37-R75 PolarHBondContact O-N 3.37Å; P37-L99 HydrophobicContact CB-CD2 3.8Å; P37-L99 HydrophobicContact CG-CD2 3.66Å; P37-L101 HydrophobicContact CB-CD1 3.83Å; P37-L101 HydrophobicContact CG-CD1 3.81Å; P37-L101 HydrophobicContact CG-CD2 3.9Å; P37-L101 HydrophobicContact CG-CG 4.43Å
38E85.3Confident90.8Very high39 Ų3921.6 Ų21.618%0.18212%0.117CC..THydrogen-bonded Turntrans-78.5-8.5173.8-61.8-179172.900113.4S36 R75 L103S36-E38 PolarHBondContact O-N 2.58Å; S36-E38 VanDerWaalsContact O-N 3.07Å; S36-E38 PolarHBondContact OG-N 2.91Å; E38-R75 HydrophobicContact CG-CB 4.07Å; E38-R75 HydrophobicContact CG-CG 4.06Å; E38-L103 HydrophobicContact CG-CD1 4Å; E38-L103 VanDerWaalsContact OE1-CD1 3.23Å; E38-L103 WeakPolarHBondContact OE1-CD1 3.46Å
39S86.4Confident91.1Very high32 Ų3223.1 Ų23.122%0.22413%0.125CC..SBendtrans-75.7154177.5-56.60000110.8S36 P37 G41 G42S36-S39 PolarHBondContact N-OG 3.34Å; S36-S39 WeakPolarHBondContact O-CB 3.16Å; S36-S39 PolarHBondContact O-N 3.31Å; S36-S39 PolarHBondContact O-OG 2.75Å; P37-S39 VanDerWaalsContact C-N 3.26Å; P37-S39 PolarHBondContact O-N 3.31Å; S39-G41 PolarHBondContact O-N 2.9Å; S39-G41 VanDerWaalsContact O-N 3.12Å; S39-G42 PolarHBondContact O-N 2.77Å
40E85Confident91.3Very high173 Ų17322.9 Ų22.981%0.80812%0.124SC*.THydrogen-bonded Turntrans-54.3-38.7-174.1-170.1-171.1161.800113.1K74E40-K74 WeakPolarHBondContact O-CE 3.29Å; E40-K74 PolarHBondContact O-NZ 2.7Å
41G85.3Confident91.3Very high18 Ų1823.2 Ų23.219%0.18613%0.126CC..THydrogen-bonded Turntrans-82.7-7.5178.100000115.6S39 H72S39-G41 PolarHBondContact O-N 2.9Å; S39-G41 VanDerWaalsContact O-N 3.12Å; G41-H72 PolarHBondContact O-NE2 3.46Å
42G90.8Very high91.3Very high0 Ų023.1 Ų23.10%013%0.125CC..  trans62.5-165.3-17000000113.4S39 L73S39-G42 PolarHBondContact O-N 2.77Å; G42-L73 CarbonylContact C-O 3.48Å; G42-L73 VanDerWaalsContact CA-O 3.29Å; G42-L73 WeakPolarHBondContact CA-O 3.21Å
43L94Very high91.3Very high0 Ų022.8 Ų22.80%012%0.124CC..EExtended strand (participates in β ladder)trans-126.9132-178.7-168.373000110.9K27 C30 P37 V45 H72 L73K27-L43 VanDerWaalsContact C-CD2 3.41Å; K27-L43 VanDerWaalsContact O-CD2 3.3Å; K27-L43 WeakPolarHBondContact O-CD2 3.27Å; C30-L43 HydrophobicContact CB-CD1 3.89Å; P37-L43 HydrophobicContact CG-CB 3.97Å; P37-L43 HydrophobicContact CG-CD2 4.26Å; L43-V45 HydrophobicContact CD2-CG2 4.45Å; L43-H72 CarbonylContact O-C 3.6Å; L43-H72 WeakPolarHBondContact O-CA 3.49Å; L43-L73 PolarHBondContact N-O 3.45Å; L43-L73 PolarHBondContact O-N 3.1Å
44Y95.1Very high91.3Very high17 Ų1722.4 Ų22.47%0.06712%0.121CC..EExtended strand (participates in β ladder)trans-101.2108.3177.6-62.9-97.7000109.9G52 F53 R55 V58 M71 H72 V121 F123Y44-G52 CarbonylContact O-C 3.41Å; Y44-F53 WeakPolarHBondContact CB-O 3.22Å; Y44-F53 PolarHBondContact N-O 3Å; Y44-F53 PolarHBondContact O-N 3.42Å; Y44-R55 HydrophobicContact CE2-CB 4.07Å; Y44-R55 HydrophobicContact CE2-CG 4.39Å; Y44-V58 HydrophobicContact CD1-CG2 4.28Å; Y44-V58 HydrophobicContact CD2-CB 4.21Å; Y44-V58 HydrophobicContact CD2-CG1 4.11Å; Y44-V58 HydrophobicContact CE2-CG1 4.37Å; Y44-V58 HydrophobicContact CG-CB 4.1Å; Y44-V58 HydrophobicContact CG-CG1 4.26Å; Y44-V58 HydrophobicContact CG-CG2 3.96Å; Y44-M71 CarbonylContact C-O 3.5Å; Y44-H72 HydrophobicContact CD1-CB 3.99Å; Y44-H72 AromaticContact CD1-CD2 3.84Å; Y44-H72 AromaticContact CD2-CD2 3.88Å; Y44-H72 HydrophobicContact CE1-CB 3.94Å; Y44-H72 AromaticContact CE1-CD2 3.5Å; Y44-H72 AromaticContact CE1-CG 3.89Å; Y44-H72 AromaticContact CE2-CD2 3.53Å; Y44-H72 AromaticContact CE2-NE2 3.91Å; Y44-H72 AromaticContact CZ-CD2 3.33Å; Y44-H72 AromaticContact CZ-NE2 3.77Å; Y44-V121 HydrophobicContact CE1-CB 4.33Å; Y44-V121 HydrophobicContact CE1-CG1 4.31Å; Y44-V121 HydrophobicContact CE1-CG2 4.15Å; Y44-F123 HydrophobicContact CD1-CE2 4.44Å
45V94.3Very high91.3Very high0 Ų029.2 Ų29.20%015%0.146CC..EExtended strand (participates in β ladder)trans-90.1120.4176.6-175.70000109.3K27 L43 M47 L51 Y70 M71 L73 V148K27-V45 HydrophobicContact CB-CG2 4.27Å; L43-V45 HydrophobicContact CD2-CG2 4.45Å; V45-M47 PolarHBondContact O-N 2.94Å; V45-L51 CarbonylContact C-O 3.57Å; V45-L51 WeakPolarHBondContact CA-O 3.47Å; V45-Y70 CarbonylContact O-C 3.03Å; V45-Y70 VanDerWaalsContact O-CA 3.31Å; V45-Y70 WeakPolarHBondContact O-CA 3.41Å; V45-M71 PolarHBondContact N-O 3.4Å; V45-M71 PolarHBondContact O-N 3.28Å; V45-L73 HydrophobicContact CG2-CD1 3.81Å; V45-L73 HydrophobicContact CG2-CG 4.4Å; V45-V148 HydrophobicContact CG1-CG1 3.97Å
46C94.4Very high91.3Very high0 Ų034.9 Ų34.90%017%0.172CC..EExtended strand (participates in β ladder)trans-65.5125.2177.4163.80000111N48 T49 F50 L51 F53 Y70C46-N48 PolarHBondContact O-N 3.07Å; C46-N48 VanDerWaalsContact O-N 3.16Å; C46-N48 PolarHBondContact SG-N 2.82Å; C46-N48 VanDerWaalsContact SG-N 3.36Å; C46-T49 PolarHBondContact SG-N 2.81Å; C46-T49 PolarHBondContact SG-OG1 2.98Å; C46-F50 WeakPolarHBondContact O-CA 3.27Å; C46-F50 PolarHBondContact O-N 2.86Å; C46-L51 PolarHBondContact N-O 3.34Å; C46-F53 HydrophobicContact CB-CE2 4.08Å; C46-Y70 HydrophobicContact CB-CD1 3.95Å; C46-Y70 HydrophobicContact CB-CE1 3.87Å
47M92.4Very high91.5Very high0 Ų034.9 Ų34.90%017%0.169CC..THydrogen-bonded Turntrans-74.3-2.6-177.8-65.5-60.7-73.400114.6I16 R17 V45 V69 M71 L120 A144 V148I16-M47 HydrophobicContact CG1-CB 4.37Å; I16-M47 HydrophobicContact CG2-CB 4.38Å; I16-M47 HydrophobicContact CG2-CE 4.29Å; R17-M47 PolarHBondContact N-O 3.36Å; V45-M47 PolarHBondContact O-N 2.94Å; M47-V69 HydrophobicContact CB-CG1 4.31Å; M47-V69 HydrophobicContact CG-CG1 4Å; M47-V69 PolarHBondContact N-O 3.4Å; M47-M71 HydrophobicContact SD-CB 3.68Å; M47-L120 HydrophobicContact CG-CD1 4.09Å; M47-A144 HydrophobicContact CE-CB 3.78Å; M47-V148 HydrophobicContact CE-CG2 4.28Å; M47-V148 HydrophobicContact SD-CG2 4.23Å
48N92.3Very high91.8Very high51 Ų5135 Ų3527%0.27317%0.17SC..THydrogen-bonded Turntrans-101.5-57.6176-167.420.4000112.6T15 R17 C46T15-N48 WeakPolarHBondContact O-CA 3.45Å; T15-N48 WeakPolarHBondContact O-CB 3.41Å; R17-N48 WeakPolarHBondContact CD-O 3.2Å; R17-N48 WeakPolarHBondContact CD-OD1 3.4Å; R17-N48 WeakPolarHBondContact CG-OD1 3.45Å; C46-N48 PolarHBondContact O-N 3.07Å; C46-N48 VanDerWaalsContact O-N 3.16Å; C46-N48 PolarHBondContact SG-N 2.82Å; C46-N48 VanDerWaalsContact SG-N 3.36Å
49T91.4Very high92.1Very high57 Ų5737.1 Ų37.135%0.3518%0.18SC..THydrogen-bonded Turntrans-94.4-12.1-176.460.50000114.4C46 L51C46-T49 PolarHBondContact SG-N 2.81Å; C46-T49 PolarHBondContact SG-OG1 2.98Å; T49-L51 PolarHBondContact O-N 3.03Å
50F93.8Very high92.3Very high5 Ų537.6 Ų37.62%0.02218%0.177CC..  trans62.219.3-177-40.4-52.5000115.3R17 P19 D23 V25 Y26 C46 V148R17-F50 HydrophobicContact CB-CE1 4.23Å; R17-F50 HydrophobicContact CB-CZ 3.69Å; R17-F50 WeakPolarHBondContact O-CE1 3.05Å; P19-F50 HydrophobicContact CB-CE2 4.13Å; P19-F50 HydrophobicContact CB-CZ 4.14Å; P19-F50 HydrophobicContact CG-CD1 4.01Å; P19-F50 HydrophobicContact CG-CD2 4.41Å; P19-F50 HydrophobicContact CG-CE1 3.66Å; P19-F50 HydrophobicContact CG-CE2 4.07Å; P19-F50 HydrophobicContact CG-CG 4.38Å; P19-F50 HydrophobicContact CG-CZ 3.68Å; D23-F50 HydrophobicContact CB-CD2 3.99Å; D23-F50 HydrophobicContact CB-CE2 3.99Å; V25-F50 HydrophobicContact CB-CB 4.34Å; V25-F50 HydrophobicContact CG1-CB 4.36Å; V25-F50 HydrophobicContact CG2-CB 4Å; V25-F50 HydrophobicContact CG2-CD2 4.47Å; V25-F50 HydrophobicContact CG2-CG 4.22Å; Y26-F50 PolarHBondContact N-O 2.82Å; C46-F50 WeakPolarHBondContact O-CA 3.27Å; C46-F50 PolarHBondContact O-N 2.86Å; F50-V148 HydrophobicContact CD1-CG2 4.15Å; F50-V148 HydrophobicContact CE1-CG2 4.25Å
51L94.1Very high92.7Very high6 Ų629.9 Ų29.93%0.03114%0.141CC..  trans-78.2141.5172.1-62.4176.6000111.2Y26 V45 C46 T49 F53 L360 D361 T363Y26-L51 HydrophobicContact CD2-CD2 3.73Å; Y26-L51 HydrophobicContact CE2-CD2 3.91Å; V45-L51 CarbonylContact C-O 3.57Å; V45-L51 WeakPolarHBondContact CA-O 3.47Å; C46-L51 PolarHBondContact N-O 3.34Å; T49-L51 PolarHBondContact O-N 3.03Å; L51-F53 HydrophobicContact CB-CE1 4.47Å; L51-F53 HydrophobicContact CB-CE2 3.6Å; L51-F53 HydrophobicContact CB-CZ 3.52Å; L51-F53 HydrophobicContact CD1-CZ 4.01Å; L51-F53 HydrophobicContact CG-CZ 4.43Å; L51-L360 WeakPolarHBondContact CD1-O 3.3Å; L51-D361 HydrophobicContact CD1-CB 4.47Å; L51-T363 HydrophobicContact CD2-CG2 3.84Å
52G94.1Very high93Very high0 Ų031.9 Ų31.90%014%0.143CC..EExtended strand (participates in β ladder)trans-95.6134.9177.600000112.7Y26 C30 A31 Y44Y26-G52 VanDerWaalsContact O-CA 3.31Å; Y26-G52 WeakPolarHBondContact O-CA 3.42Å; Y26-G52 PolarHBondContact O-N 3.02Å; C30-G52 CarbonylContact C-O 3.49Å; C30-G52 WeakPolarHBondContact CA-O 3.15Å; A31-G52 PolarHBondContact N-O 2.99Å; Y44-G52 CarbonylContact O-C 3.41Å
53F95.4Very high93.1Very high0 Ų040 Ų400%017%0.174CC..EExtended strand (participates in β ladder)trans-131132.4179.6-57-75.3000111.1A31 F32 Y44 C46 L51 V58 H61 Y70A31-F53 HydrophobicContact CB-CD1 4.42Å; A31-F53 HydrophobicContact CB-CE1 4.08Å; F32-F53 AromaticContact CD2-CD1 3.97Å; F32-F53 HydrophobicContact CD2-CD1 3.97Å; F32-F53 HydrophobicContact CD2-CE1 4.1Å; F32-F53 HydrophobicContact CE2-CD1 4.05Å; F32-F53 AromaticContact CE2-CE1 3.78Å; F32-F53 HydrophobicContact CE2-CE1 3.78Å; Y44-F53 WeakPolarHBondContact CB-O 3.22Å; Y44-F53 PolarHBondContact N-O 3Å; Y44-F53 PolarHBondContact O-N 3.42Å; C46-F53 HydrophobicContact CB-CE2 4.08Å; L51-F53 HydrophobicContact CB-CE1 4.47Å; L51-F53 HydrophobicContact CB-CE2 3.6Å; L51-F53 HydrophobicContact CB-CZ 3.52Å; L51-F53 HydrophobicContact CD1-CZ 4.01Å; L51-F53 HydrophobicContact CG-CZ 4.43Å; F53-V58 HydrophobicContact CB-CB 4.07Å; F53-H61 HydrophobicContact CD1-CB 4.25Å; F53-H61 HydrophobicContact CD2-CB 4.16Å; F53-H61 HydrophobicContact CE1-CB 4.06Å; F53-H61 AromaticContact CE1-CD2 3.96Å; F53-H61 HydrophobicContact CE2-CB 3.95Å; F53-H61 AromaticContact CE2-CD2 3.5Å; F53-H61 VanDerWaalsContact CE2-CD2 3.5Å; F53-H61 WeakPolarHBondContact CE2-CD2 3.45Å; F53-H61 AromaticContact CE2-CG 3.48Å; F53-H61 VanDerWaalsContact CE2-CG 3.48Å; F53-H61 AromaticContact CE2-ND1 3.83Å; F53-H61 AromaticContact CE2-NE2 3.84Å; F53-H61 HydrophobicContact CG-CB 4.31Å; F53-H61 HydrophobicContact CZ-CB 3.9Å; F53-H61 AromaticContact CZ-CD2 3.16Å; F53-H61 WeakPolarHBondContact CZ-CD2 3.45Å; F53-H61 AromaticContact CZ-CG 3.52Å; F53-H61 AromaticContact CZ-NE2 3.77Å; F53-Y70 HydrophobicContact CD2-CE1 4.23Å
54G93.8Very high92.9Very high0 Ų044.1 Ų44.10%019%0.192CC..EExtended strand (participates in β ladder)trans-67.7167169.600000111.1C30 E56 H57 V58C30-G54 PolarHBondContact SG-N 2.9Å; G54-E56 PolarHBondContact O-N 2.62Å; G54-H57 PolarHBondContact O-N 3.18Å; G54-V58 PolarHBondContact O-N 3.03Å
55R92.2Very high92.6Very high164 Ų16445.9 Ų45.962%0.61920%0.204SC*.THydrogen-bonded Turntrans-54.5-36.9-177.8-174.9179.5-179.9-177.71.7113.3Y44 H57Y44-R55 HydrophobicContact CE2-CB 4.07Å; Y44-R55 HydrophobicContact CE2-CG 4.39Å; R55-H57 VanDerWaalsContact C-N 3.3Å; R55-H57 PolarHBondContact O-N 3.4Å
56E90.6Very high92.4Very high149 Ų14948.2 Ų48.270%0.69623%0.229SC*.THydrogen-bonded Turntrans-78.1-14.7-179.7-60-17116900113.4G54G54-E56 PolarHBondContact O-N 2.62Å
57H92.9Very high92.3Very high22 Ų2248.6 Ų48.610%0.10223%0.23CC..THydrogen-bonded Turntrans-113.2-17.7-171.6-60.9-54.5000114F32 G54 R55 E59 R60 H61F32-H57 HydrophobicContact CB-CB 4.3Å; F32-H57 HydrophobicContact CD2-CB 4.01Å; G54-H57 PolarHBondContact O-N 3.18Å; R55-H57 VanDerWaalsContact C-N 3.3Å; R55-H57 PolarHBondContact O-N 3.4Å; H57-E59 VanDerWaalsContact C-N 3.3Å; H57-E59 PolarHBondContact O-N 3.24Å; H57-R60 WeakPolarHBondContact O-CB 3.29Å; H57-R60 PolarHBondContact O-N 3.3Å; H57-H61 PolarHBondContact O-N 3.15Å
58V93.6Very high92.2Very high3 Ų349.3 Ų49.32%0.01824%0.235CC..Hα-helixtrans-61.3-38.7178.564.20000112.2Y44 F53 G54 R60 H61 Y62 Y70 F123Y44-V58 HydrophobicContact CD1-CG2 4.28Å; Y44-V58 HydrophobicContact CD2-CB 4.21Å; Y44-V58 HydrophobicContact CD2-CG1 4.11Å; Y44-V58 HydrophobicContact CE2-CG1 4.37Å; Y44-V58 HydrophobicContact CG-CB 4.1Å; Y44-V58 HydrophobicContact CG-CG1 4.26Å; Y44-V58 HydrophobicContact CG-CG2 3.96Å; F53-V58 HydrophobicContact CB-CB 4.07Å; G54-V58 PolarHBondContact O-N 3.03Å; V58-R60 VanDerWaalsContact C-N 3.29Å; V58-R60 PolarHBondContact O-N 3.36Å; V58-H61 PolarHBondContact O-N 3.14Å; V58-Y62 PolarHBondContact O-N 3Å; V58-Y70 HydrophobicContact CG2-CD1 3.8Å; V58-Y70 HydrophobicContact CG2-CD2 4.08Å; V58-Y70 HydrophobicContact CG2-CE1 3.75Å; V58-Y70 HydrophobicContact CG2-CE2 4.03Å; V58-Y70 HydrophobicContact CG2-CG 3.98Å; V58-F123 HydrophobicContact CB-CZ 4.26Å; V58-F123 HydrophobicContact CG1-CE1 4.1Å; V58-F123 HydrophobicContact CG1-CE2 4.39Å; V58-F123 HydrophobicContact CG1-CZ 3.53Å; V58-F123 HydrophobicContact CG2-CE1 4.5Å; V58-F123 HydrophobicContact CG2-CE2 3.75Å; V58-F123 HydrophobicContact CG2-CZ 3.69Å
59E91.7Very high92.2Very high83 Ų8346.9 Ų46.939%0.38822%0.222SC..Hα-helixtrans-67.2-32.5179.7-159.8-177.7-170.200112H57 Y62 R63H57-E59 VanDerWaalsContact C-N 3.3Å; H57-E59 PolarHBondContact O-N 3.24Å; E59-Y62 PolarHBondContact O-N 2.84Å; E59-R63 WeakPolarHBondContact O-CG 3.42Å; E59-R63 PolarHBondContact O-N 2.94Å; E59-R63 IonicContact OE1-CZ 2.86Å; E59-R63 IonicContact OE1-NE 3.42Å; E59-R63 IonicContact OE1-NH2 2.76Å; E59-R63 PolarHBondContact OE1-NH2 3.08Å; E59-R63 IonicContact OE2-CZ 2.83Å; E59-R63 IonicContact OE2-NH1 3.78Å; E59-R63 IonicContact OE2-NH2 3.87Å; E59-R63 PolarHBondContact OE2-NH2 2.62Å
60R91.3Very high92.3Very high42 Ų4244.1 Ų44.116%0.15821%0.205CC..Hα-helixtrans-62.2-46.2172.7179.6-170.8-65.6-101.3-1.8110.8H57 V58 R63 K64 F355 D356H57-R60 WeakPolarHBondContact O-CB 3.29Å; H57-R60 PolarHBondContact O-N 3.3Å; V58-R60 VanDerWaalsContact C-N 3.29Å; V58-R60 PolarHBondContact O-N 3.36Å; R60-R63 PolarHBondContact O-N 2.83Å; R60-K64 WeakPolarHBondContact O-CB 3.23Å; R60-K64 PolarHBondContact O-N 3.25Å; R60-K64 VanDerWaalsContact O-N 3.1Å; R60-F355 VanDerWaalsContact CZ-CB 3.47Å; R60-F355 PolarHBondContact NH1-O 3.02Å; R60-D356 IonicContact CZ-OD1 3.84Å; R60-D356 VanDerWaalsContact NH1-N 3.14Å; R60-D356 IonicContact NH1-OD1 3.86Å; R60-D356 PolarHBondContact NH1-OD1 2.87Å; R60-D356 IonicContact NH2-OD1 2.67Å
61H93.2Very high92.2Very high11 Ų1143.9 Ų43.95%0.05120%0.204CC..Hα-helixtrans-64.1-43177.2-178-93.9000111.7F53 H57 V58 K64 T65 Y70F53-H61 HydrophobicContact CD1-CB 4.25Å; F53-H61 HydrophobicContact CD2-CB 4.16Å; F53-H61 HydrophobicContact CE1-CB 4.06Å; F53-H61 AromaticContact CE1-CD2 3.96Å; F53-H61 HydrophobicContact CE2-CB 3.95Å; F53-H61 AromaticContact CE2-CD2 3.5Å; F53-H61 VanDerWaalsContact CE2-CD2 3.5Å; F53-H61 WeakPolarHBondContact CE2-CD2 3.45Å; F53-H61 AromaticContact CE2-CG 3.48Å; F53-H61 VanDerWaalsContact CE2-CG 3.48Å; F53-H61 AromaticContact CE2-ND1 3.83Å; F53-H61 AromaticContact CE2-NE2 3.84Å; F53-H61 HydrophobicContact CG-CB 4.31Å; F53-H61 HydrophobicContact CZ-CB 3.9Å; F53-H61 AromaticContact CZ-CD2 3.16Å; F53-H61 WeakPolarHBondContact CZ-CD2 3.45Å; F53-H61 AromaticContact CZ-CG 3.52Å; F53-H61 AromaticContact CZ-NE2 3.77Å; H57-H61 PolarHBondContact O-N 3.15Å; V58-H61 PolarHBondContact O-N 3.14Å; H61-K64 PolarHBondContact O-N 3.48Å; H61-T65 PolarHBondContact CE1-OG1 3.01Å; H61-T65 VanDerWaalsContact CE1-OG1 3.3Å; H61-T65 PolarHBondContact ND1-OG1 3.27Å; H61-T65 WeakPolarHBondContact O-CB 3.38Å; H61-T65 PolarHBondContact O-N 3.38Å; H61-T65 PolarHBondContact O-OG1 3.35Å; H61-Y70 AromaticContact ND1-CE1 3.6Å; H61-Y70 AromaticContact ND1-CZ 3.65Å; H61-Y70 PolarHBondContact ND1-OH 3.35Å
62Y92.4Very high92.2Very high59 Ų5944.2 Ų44.223%0.23121%0.205CC..Hα-helixtrans-56.5-51.5174.4167.2-109.5000112V58 E59 K64 G66 Q67 Y70 F123 P124V58-Y62 PolarHBondContact O-N 3Å; E59-Y62 PolarHBondContact O-N 2.84Å; Y62-K64 VanDerWaalsContact C-N 3.26Å; Y62-K64 PolarHBondContact O-N 3.18Å; Y62-G66 VanDerWaalsContact O-CA 3.26Å; Y62-G66 WeakPolarHBondContact O-CA 3.32Å; Y62-G66 PolarHBondContact O-N 2.96Å; Y62-Q67 VanDerWaalsContact CD2-O 3.3Å; Y62-Q67 WeakPolarHBondContact CD2-O 3.36Å; Y62-Y70 PolarHBondContact N-OH 3.06Å; Y62-F123 HydrophobicContact CD2-CB 3.88Å; Y62-F123 HydrophobicContact CE2-CB 4.05Å; Y62-F123 HydrophobicContact CG-CB 4.16Å; Y62-P124 HydrophobicContact CE1-CB 4.19Å
63R91.4Very high92.1Very high172 Ų17244.2 Ų44.265%0.64921%0.205SC*.Hα-helixtrans-62-33.5179.9-71.4179.5-170.1133.2-0.7113E59 R60E59-R63 WeakPolarHBondContact O-CG 3.42Å; E59-R63 PolarHBondContact O-N 2.94Å; E59-R63 IonicContact OE1-CZ 2.86Å; E59-R63 IonicContact OE1-NE 3.42Å; E59-R63 IonicContact OE1-NH2 2.76Å; E59-R63 PolarHBondContact OE1-NH2 3.08Å; E59-R63 IonicContact OE2-CZ 2.83Å; E59-R63 IonicContact OE2-NH1 3.78Å; E59-R63 IonicContact OE2-NH2 3.87Å; E59-R63 PolarHBondContact OE2-NH2 2.62Å; R60-R63 PolarHBondContact O-N 2.83Å
64K89.8Confident91.8Very high86 Ų8646.6 Ų46.637%0.37422%0.216SC..Hα-helixtrans-81.6-37.3-176.6-170.8168.7-173.11570113.7R60 H61 Y62 D356 S358R60-K64 WeakPolarHBondContact O-CB 3.23Å; R60-K64 PolarHBondContact O-N 3.25Å; R60-K64 VanDerWaalsContact O-N 3.1Å; H61-K64 PolarHBondContact O-N 3.48Å; Y62-K64 VanDerWaalsContact C-N 3.26Å; Y62-K64 PolarHBondContact O-N 3.18Å; K64-D356 PolarHBondContact NZ-O 2.98Å; K64-S358 WeakPolarHBondContact CE-O 3.49Å; K64-S358 PolarHBondContact NZ-O 2.86Å; K64-S358 PolarHBondContact NZ-OG 3.46Å
65T89.7Confident91.4Very high54 Ų5447.5 Ų47.533%0.33122%0.219SC..Hα-helixtrans-110.2-16.4-171.365.20000113.8H61 Q67 L360H61-T65 PolarHBondContact CE1-OG1 3.01Å; H61-T65 VanDerWaalsContact CE1-OG1 3.3Å; H61-T65 PolarHBondContact ND1-OG1 3.27Å; H61-T65 WeakPolarHBondContact O-CB 3.38Å; H61-T65 PolarHBondContact O-N 3.38Å; H61-T65 PolarHBondContact O-OG1 3.35Å; T65-Q67 PolarHBondContact O-N 3.25Å; T65-Q67 VanDerWaalsContact OG1-CB 3.3Å; T65-Q67 WeakPolarHBondContact OG1-CB 3.25Å; T65-Q67 PolarHBondContact OG1-N 2.99Å; T65-L360 HydrophobicContact CG2-CD2 3.83Å
66G89.8Confident90.9Very high49 Ų4942.7 Ų42.751%0.50520%0.204SC..  trans73-0.3-169.400000114.1Y62 S68Y62-G66 VanDerWaalsContact O-CA 3.26Å; Y62-G66 WeakPolarHBondContact O-CA 3.32Å; Y62-G66 PolarHBondContact O-N 2.96Å; G66-S68 PolarHBondContact O-N 3.11Å; G66-S68 PolarHBondContact O-OG 3.44Å
67Q91.8Very high90.1Very high8 Ų838.3 Ų38.34%0.03719%0.187CC..  trans-65.6120-178.1179662100110.9Y62 T65 V69 Y70Y62-Q67 VanDerWaalsContact CD2-O 3.3Å; Y62-Q67 WeakPolarHBondContact CD2-O 3.36Å; T65-Q67 PolarHBondContact O-N 3.25Å; T65-Q67 VanDerWaalsContact OG1-CB 3.3Å; T65-Q67 WeakPolarHBondContact OG1-CB 3.25Å; T65-Q67 PolarHBondContact OG1-N 2.99Å; Q67-V69 PolarHBondContact NE2-O 2.91Å; Q67-V69 VanDerWaalsContact NE2-O 3.13Å; Q67-Y70 HydrophobicContact CG-CE1 4.46Å; Q67-Y70 HydrophobicContact CG-CE2 4.42Å; Q67-Y70 WeakPolarHBondContact O-CE2 3.44Å; Q67-Y70 VanDerWaalsContact O-CZ 3.26Å; Q67-Y70 PolarHBondContact O-OH 3.02Å
68S91.1Very high89.1Confident14 Ų1442.5 Ų42.510%0.09821%0.205CC..  trans-103.5-21.2-171.8-58.20000114.1G66 I122 F123G66-S68 PolarHBondContact O-N 3.11Å; G66-S68 PolarHBondContact O-OG 3.44Å; S68-I122 CarbonylContact O-C 3.51Å; S68-I122 WeakPolarHBondContact O-CA 3.21Å; S68-F123 WeakPolarHBondContact CB-O 3.44Å; S68-F123 PolarHBondContact O-N 3.12Å
69V92.5Very high87.7Confident0 Ų048.2 Ų48.20%023%0.231CC..EExtended strand (participates in β ladder)trans-107124.3-174.1-174.90000111.5F12 I16 M47 Q67 L120F12-V69 HydrophobicContact CB-CG2 3.44Å; F12-V69 VanDerWaalsContact CB-CG2 3.44Å; F12-V69 HydrophobicContact CD1-CG2 4.31Å; F12-V69 HydrophobicContact CD2-CG2 4.41Å; F12-V69 HydrophobicContact CG-CG2 3.82Å; I16-V69 HydrophobicContact CD1-CG1 4.08Å; I16-V69 HydrophobicContact CG1-CB 4.41Å; I16-V69 HydrophobicContact CG1-CG1 4.25Å; M47-V69 HydrophobicContact CB-CG1 4.31Å; M47-V69 HydrophobicContact CG-CG1 4Å; M47-V69 PolarHBondContact N-O 3.4Å; Q67-V69 PolarHBondContact NE2-O 2.91Å; Q67-V69 VanDerWaalsContact NE2-O 3.13Å; V69-L120 HydrophobicContact CG1-CD1 3.63Å; V69-L120 HydrophobicContact CG1-CD2 4.14Å; V69-L120 HydrophobicContact CG1-CG 3.94Å
70Y93.8Very high86.3Confident0 Ų048.7 Ų48.70%023%0.232CC..EExtended strand (participates in β ladder)trans-133.1147.2179.5-58.6-97.8000110.8V45 C46 F53 V58 H61 Y62 Q67 V121 F123V45-Y70 CarbonylContact O-C 3.03Å; V45-Y70 VanDerWaalsContact O-CA 3.31Å; V45-Y70 WeakPolarHBondContact O-CA 3.41Å; C46-Y70 HydrophobicContact CB-CD1 3.95Å; C46-Y70 HydrophobicContact CB-CE1 3.87Å; F53-Y70 HydrophobicContact CD2-CE1 4.23Å; V58-Y70 HydrophobicContact CG2-CD1 3.8Å; V58-Y70 HydrophobicContact CG2-CD2 4.08Å; V58-Y70 HydrophobicContact CG2-CE1 3.75Å; V58-Y70 HydrophobicContact CG2-CE2 4.03Å; V58-Y70 HydrophobicContact CG2-CG 3.98Å; H61-Y70 AromaticContact ND1-CE1 3.6Å; H61-Y70 AromaticContact ND1-CZ 3.65Å; H61-Y70 PolarHBondContact ND1-OH 3.35Å; Y62-Y70 PolarHBondContact N-OH 3.06Å; Q67-Y70 HydrophobicContact CG-CE1 4.46Å; Q67-Y70 HydrophobicContact CG-CE2 4.42Å; Q67-Y70 WeakPolarHBondContact O-CE2 3.44Å; Q67-Y70 VanDerWaalsContact O-CZ 3.26Å; Q67-Y70 PolarHBondContact O-OH 3.02Å; Y70-V121 PolarHBondContact N-O 2.79Å; Y70-V121 PolarHBondContact O-N 3.04Å; Y70-F123 AromaticContact CD2-CD2 3.51Å; Y70-F123 HydrophobicContact CD2-CD2 3.51Å; Y70-F123 AromaticContact CD2-CE2 3.72Å; Y70-F123 HydrophobicContact CD2-CE2 3.72Å; Y70-F123 AromaticContact CE2-CD2 3.69Å; Y70-F123 HydrophobicContact CE2-CD2 3.69Å; Y70-F123 HydrophobicContact CE2-CE2 4.1Å; Y70-F123 HydrophobicContact CE2-CG 4.35Å; Y70-F123 HydrophobicContact CG-CE2 4.46Å
71M92.1Very high84.2Confident0 Ų053.1 Ų53.10%026%0.264CS..EExtended strand (participates in β ladder)trans-93.2113.8166.6-175.3172.467.500109.4Y44 V45 M47 L73 K119 V148 L149Y44-M71 CarbonylContact C-O 3.5Å; V45-M71 PolarHBondContact N-O 3.4Å; V45-M71 PolarHBondContact O-N 3.28Å; M47-M71 HydrophobicContact SD-CB 3.68Å; M71-L73 HydrophobicContact CE-CD1 4.09Å; M71-L73 HydrophobicContact CE-CD2 3.82Å; M71-L73 HydrophobicContact CE-CG 4.21Å; M71-L73 HydrophobicContact CG-CD2 3.89Å; M71-L73 HydrophobicContact CG-CG 4.45Å; M71-L73 HydrophobicContact SD-CD2 4.11Å; M71-K119 CarbonylContact C-O 3.55Å; M71-K119 WeakPolarHBondContact CA-O 3.47Å; M71-V148 HydrophobicContact CE-CB 3.65Å; M71-V148 HydrophobicContact CE-CG1 3.19Å; M71-L149 HydrophobicContact CE-CD2 3.7Å; M71-L149 HydrophobicContact CE-CG 4.15Å; M71-L149 HydrophobicContact SD-CD2 3.74Å; M71-L149 HydrophobicContact SD-CG 3.89Å
72H93.9Very high82.1Confident12 Ų1258.9 Ų58.96%0.05630%0.301CS..EExtended strand (participates in β ladder)trans-85126.1174.7-179-117.2000110.4G41 L43 Y44 A118 K119 V121G41-H72 PolarHBondContact O-NE2 3.46Å; L43-H72 CarbonylContact O-C 3.6Å; L43-H72 WeakPolarHBondContact O-CA 3.49Å; Y44-H72 HydrophobicContact CD1-CB 3.99Å; Y44-H72 AromaticContact CD1-CD2 3.84Å; Y44-H72 AromaticContact CD2-CD2 3.88Å; Y44-H72 HydrophobicContact CE1-CB 3.94Å; Y44-H72 AromaticContact CE1-CD2 3.5Å; Y44-H72 AromaticContact CE1-CG 3.89Å; Y44-H72 AromaticContact CE2-CD2 3.53Å; Y44-H72 AromaticContact CE2-NE2 3.91Å; Y44-H72 AromaticContact CZ-CD2 3.33Å; Y44-H72 AromaticContact CZ-NE2 3.77Å; H72-A118 CarbonylContact O-C 3.51Å; H72-A118 WeakPolarHBondContact O-CA 3.35Å; H72-K119 HydrophobicContact CB-CB 4.38Å; H72-K119 PolarHBondContact N-O 3.05Å; H72-K119 PolarHBondContact O-N 3.31Å; H72-V121 HydrophobicContact CB-CG2 3.61Å
73L90.9Very high79.6Confident0 Ų059 Ų590%032%0.319CS..EExtended strand (participates in β ladder)trans-119128.3-178.2-60-178.1000109.7K27 P37 G42 L43 V45 M71 L99 A118 L149K27-L73 HydrophobicContact CB-CD1 3.92Å; P37-L73 HydrophobicContact CB-CB 4.27Å; P37-L73 HydrophobicContact CG-CB 4.19Å; G42-L73 CarbonylContact C-O 3.48Å; G42-L73 VanDerWaalsContact CA-O 3.29Å; G42-L73 WeakPolarHBondContact CA-O 3.21Å; L43-L73 PolarHBondContact N-O 3.45Å; L43-L73 PolarHBondContact O-N 3.1Å; V45-L73 HydrophobicContact CG2-CD1 3.81Å; V45-L73 HydrophobicContact CG2-CG 4.4Å; M71-L73 HydrophobicContact CE-CD1 4.09Å; M71-L73 HydrophobicContact CE-CD2 3.82Å; M71-L73 HydrophobicContact CE-CG 4.21Å; M71-L73 HydrophobicContact CG-CD2 3.89Å; M71-L73 HydrophobicContact CG-CG 4.45Å; M71-L73 HydrophobicContact SD-CD2 4.11Å; L73-L99 HydrophobicContact CB-CD2 4.13Å; L73-L99 HydrophobicContact CD1-CD1 4.24Å; L73-L99 HydrophobicContact CD1-CD2 4.06Å; L73-L99 HydrophobicContact CD1-CG 4.45Å; L73-L99 HydrophobicContact CD2-CD1 3.89Å; L73-L99 HydrophobicContact CG-CD1 4.44Å; L73-A118 HydrophobicContact CD2-CB 3.81Å; L73-L149 HydrophobicContact CD2-CD2 3.73Å
74K90.1Very high77.3Confident51 Ų5156.3 Ų56.322%0.22233%0.334CS..EExtended strand (participates in β ladder)trans-139.1134.1178.2-169.2170-176.8166.40110.8P37 E40 E117P37-K74 CarbonylContact O-C 3.29Å; P37-K74 WeakPolarHBondContact O-CA 3.5Å; E40-K74 WeakPolarHBondContact O-CE 3.29Å; E40-K74 PolarHBondContact O-NZ 2.7Å; K74-E117 HydrophobicContact CB-CB 4.42Å; K74-E117 PolarHBondContact N-O 3.44Å; K74-E117 PolarHBondContact O-N 2.84Å
75R85.1Confident74.9Confident18 Ų1856.3 Ų56.37%0.06835%0.35CS..EExtended strand (participates in β ladder)trans-113.2120.3175.1172.6168-73.9-177.6-0.2109.1P37 E38 V77 L99 Y114 D116P37-R75 HydrophobicContact CB-CB 4.43Å; P37-R75 PolarHBondContact O-N 3.37Å; E38-R75 HydrophobicContact CG-CB 4.07Å; E38-R75 HydrophobicContact CG-CG 4.06Å; R75-V77 HydrophobicContact CG-CG2 4.5Å; R75-L99 PolarHBondContact NH2-O 3.32Å; R75-Y114 HydrophobicContact CG-CD1 4.19Å; R75-D116 IonicContact CZ-OD1 2.84Å; R75-D116 IonicContact CZ-OD2 4Å; R75-D116 IonicContact NE-OD1 3.16Å; R75-D116 PolarHBondContact NE-OD1 3.41Å; R75-D116 IonicContact NH2-OD1 3.6Å; R75-D116 PolarHBondContact NH2-OD1 2.88Å; R75-D116 VanDerWaalsContact NH2-OD1 3.09Å; R75-D116 IonicContact NH2-OD2 3.67Å; R75-D116 PolarHBondContact NH2-OD2 3.18Å
76H80.8Confident72.6Confident63 Ų6357.8 Ų57.829%0.29238%0.376SS..EExtended strand (participates in β ladder)trans-94.1125.2173.5-59.1-89.6000109.1Y114 E115 E117H76-Y114 WeakPolarHBondContact O-CA 3.45Å; H76-E115 HydrophobicContact CB-CB 4.36Å; H76-E115 PolarHBondContact N-O 2.94Å; H76-E115 PolarHBondContact O-N 3.3Å; H76-E117 IonicContact CD2-OE2 3.1Å; H76-E117 IonicContact CE1-OE2 2.7Å; H76-E117 IonicContact NE2-OE2 3.67Å; H76-E117 PolarHBondContact NE2-OE2 2.78Å
77V75.2Confident70.2Confident58 Ų5859.5 Ų59.535%0.35239%0.393SS..EExtended strand (participates in β ladder)trans-101119.6176-172.50000108.2R75 Y112 Y114R75-V77 HydrophobicContact CG-CG2 4.5Å; V77-Y112 HydrophobicContact CG1-CD1 3.78Å; V77-Y112 HydrophobicContact CG1-CG 4.38Å; V77-Y114 HydrophobicContact CB-CD1 4.45Å; V77-Y114 HydrophobicContact CB-CE1 4.38Å; V77-Y114 HydrophobicContact CG1-CD1 4.27Å; V77-Y114 HydrophobicContact CG1-CE1 3.87Å; V77-Y114 HydrophobicContact CG2-CD1 3.89Å; V77-Y114 HydrophobicContact CG2-CE1 3.8Å
78K71.4Confident67.2Low109 Ų10963.2 Ų63.247%0.47443%0.425SS..EExtended strand (participates in β ladder)trans-113.8127.7176.4-69.8174.4178.8161.90109.1Y112 E113 E115K78-Y112 CarbonylContact O-C 3.57Å; K78-Y112 WeakPolarHBondContact O-CA 3.4Å; K78-E113 HydrophobicContact CB-CB 4.42Å; K78-E113 PolarHBondContact N-O 3.44Å; K78-E113 PolarHBondContact O-N 2.8Å; K78-E115 IonicContact NZ-OE2 3.78Å; K78-E115 PolarHBondContact NZ-OE2 3.2Å
79E63.2Low64.4Low123 Ų12370.4 Ų70.458%0.57546%0.461SS*.EExtended strand (participates in β ladder)trans-77.1133.3173-168.1176.3-173.400109.7T81 Y112E79-T81 PolarHBondContact O-N 3.38Å; E79-Y112 HydrophobicContact CB-CD1 4.24Å; E79-Y112 HydrophobicContact CB-CE1 4.12Å; E79-Y112 HydrophobicContact CG-CD1 4.42Å; E79-Y112 HydrophobicContact CG-CE1 4.06Å
80K63Low61.4Low93 Ų9375.7 Ų75.740%0.40450%0.496SS..  trans-69.9112.9175-73.9-173.5-169.2157.90108.9T82 E110 D111 E113K80-T82 PolarHBondContact O-N 2.87Å; K80-T82 VanDerWaalsContact O-N 3.08Å; K80-E110 WeakPolarHBondContact CD-O 3.42Å; K80-E110 PolarHBondContact NZ-O 2.85Å; K80-D111 WeakPolarHBondContact CB-O 3.41Å; K80-D111 PolarHBondContact N-O 2.84Å; K80-E113 HydrophobicContact CD-CG 4.39Å; K80-E113 HydrophobicContact CG-CG 3.89Å
81T48Very low58.3Low135 Ų13587.1 Ų87.183%0.82854%0.539SS*.  trans-65.1111.8168.453.30000109.2E79 G83E79-T81 PolarHBondContact O-N 3.38Å; T81-G83 PolarHBondContact O-N 3.47Å
82T47.8Very low55.5Low133 Ų13398.2 Ų98.282%0.81658%0.581SS**  trans-7082.5165.635.40000108.5K80 A84K80-T82 PolarHBondContact O-N 2.87Å; K80-T82 VanDerWaalsContact O-N 3.08Å; T82-A84 PolarHBondContact O-N 2.93Å
83G40.6Very low52.6Low60 Ų60109.1 Ų109.162%0.61962%0.621SS**  trans-66125.7177.300000110.9T81 A85T81-G83 PolarHBondContact O-N 3.47Å; G83-A85 PolarHBondContact O-N 2.77Å
84A43.4Very low49.8Very low116 Ų116115.8 Ų115.896%0.95966%0.657SS**SBendtrans-65.873.1165.200000110.7T82T82-A84 PolarHBondContact O-N 2.93Å
85A39.5Very low47.4Very low87 Ų87115.8 Ų115.872%0.71967%0.671SS**  trans-154.7107.416500000107.9G83G83-A85 PolarHBondContact O-N 2.77Å
86G39.9Very low45.6Very low85 Ų85123.4 Ų123.488%0.87670%0.704SS**  trans-57142.1174.300000111.8
87G40.5Very low44.2Very low84 Ų84124.7 Ų124.787%0.86672%0.717SS**SBendtrans80.653.5154.300000116.7
88A29Very low43.5Very low86 Ų86125 Ų12571%0.71171%0.713SS**  trans-151.2110.4146.800000109.3P90A88-P90 VanDerWaalsContact O-CD 3.25Å; A88-P90 WeakPolarHBondContact O-CD 3.41Å; A88-P90 VanDerWaalsContact O-N 3.12Å
89I31.8Very low42.7Very low166 Ų166120 Ų12085%0.85169%0.692SS**PPolyproline II helixtrans-54.6116.8167.9-63.9158.5000106.7R91I89-R91 PolarHBondContact O-N 2.85Å; I89-R91 VanDerWaalsContact O-N 3.16Å
90P29.6Very low42.2Very low111 Ų111117.8 Ų117.872%0.72168%0.684SS**PPolyproline II helixtrans-60.5124.4173.8-16.629.6000107.3A88 R92A88-P90 VanDerWaalsContact O-CD 3.25Å; A88-P90 WeakPolarHBondContact O-CD 3.41Å; A88-P90 VanDerWaalsContact O-N 3.12Å; P90-R92 PolarHBondContact O-N 2.8Å
91R28.6Very low41.7Very low240 Ų240113.9 Ų113.991%0.90667%0.667SS**PPolyproline II helixtrans-50.3119.5172.5-85.6179.9159.1-178.9-5.7108.1I89 R93I89-R91 PolarHBondContact O-N 2.85Å; I89-R91 VanDerWaalsContact O-N 3.16Å; R91-R93 PolarHBondContact O-N 3.35Å
92R34Very low41.7Very low233 Ų233109.6 Ų109.688%0.87964%0.638SS**  trans-47.4101.5168.3-74.4-174177.9-168.3-1.2108.7P90 N94P90-R92 PolarHBondContact O-N 2.8Å; R92-N94 PolarHBondContact O-N 3.03Å
93R31.6Very low41.2Very low241 Ų241106 Ų10691%0.90961%0.614SS**  trans-81.8108.6156.6-93-176174.8178.7-1.1104.9R91 G95R91-R93 PolarHBondContact O-N 3.35Å; R93-G95 VanDerWaalsContact C-N 3.27Å; R93-G95 PolarHBondContact O-N 2.86Å
94N33.6Very low41.1Very low140 Ų140105.1 Ų105.175%0.74959%0.594SS**  trans-64.887.9173.1-66.5-13.2000108.7R92 K96R92-N94 PolarHBondContact O-N 3.03Å; N94-K96 PolarHBondContact O-N 2.73Å
95G38.7Very low40.8Very low50 Ų50108.9 Ų108.952%0.51558%0.584SS.*  trans-67114.9155.900000106.7R93 V97R93-G95 VanDerWaalsContact C-N 3.27Å; R93-G95 PolarHBondContact O-N 2.86Å; G95-V97 PolarHBondContact O-N 3.09Å
96K46.4Very low40.5Very low178 Ų178110.4 Ų110.477%0.77458%0.58SS**  trans-66.9104174.7-75.8-177.3176.8-179.70107.3N94 F98N94-K96 PolarHBondContact O-N 2.73Å; K96-F98 HydrophobicContact CB-CD1 4.49Å; K96-F98 VanDerWaalsContact O-CD1 3.28Å; K96-F98 WeakPolarHBondContact O-CD1 3.4Å; K96-F98 PolarHBondContact O-N 2.87Å
97V52.5Low40.4Very low90 Ų90111 Ų11155%0.54556%0.558SS.*  trans-74.4115.4163-179.10000106G95 D116G95-V97 PolarHBondContact O-N 3.09Å; V97-D116 WeakPolarHBondContact CG1-OD2 3.45Å
98F59.8Low40.1Very low65 Ų65114 Ų11429%0.28556%0.555SS.*  trans-127.2-10.1-179.860.8-95000112.4K96 D100 D116 A118 L149K96-F98 HydrophobicContact CB-CD1 4.49Å; K96-F98 VanDerWaalsContact O-CD1 3.28Å; K96-F98 WeakPolarHBondContact O-CD1 3.4Å; K96-F98 PolarHBondContact O-N 2.87Å; F98-D100 PolarHBondContact O-N 2.83Å; F98-D116 HydrophobicContact CD1-CB 4.19Å; F98-D116 HydrophobicContact CE1-CB 3.78Å; F98-D116 HydrophobicContact CE2-CB 4.5Å; F98-D116 HydrophobicContact CZ-CB 3.94Å; F98-D116 PolarHBondContact N-OD2 2.82Å; F98-A118 HydrophobicContact CE2-CB 3.71Å; F98-A118 HydrophobicContact CZ-CB 3.61Å; F98-L149 HydrophobicContact CD2-CB 4.4Å; F98-L149 HydrophobicContact CD2-CD1 3.91Å; F98-L149 HydrophobicContact CD2-CD2 3.75Å; F98-L149 HydrophobicContact CD2-CG 4.23Å; F98-L149 HydrophobicContact CE2-CD1 3.86Å; F98-L149 HydrophobicContact CE2-CD2 3.53Å; F98-L149 HydrophobicContact CE2-CG 4.27Å
99L55.9Low40.7Very low5 Ų5111.7 Ų111.73%0.02654%0.54CS..  trans-79.5103166.5-107.180.2000108.6P37 L73 R75 L101 D116 L149P37-L99 HydrophobicContact CB-CD2 3.8Å; P37-L99 HydrophobicContact CG-CD2 3.66Å; L73-L99 HydrophobicContact CB-CD2 4.13Å; L73-L99 HydrophobicContact CD1-CD1 4.24Å; L73-L99 HydrophobicContact CD1-CD2 4.06Å; L73-L99 HydrophobicContact CD1-CG 4.45Å; L73-L99 HydrophobicContact CD2-CD1 3.89Å; L73-L99 HydrophobicContact CG-CD1 4.44Å; R75-L99 PolarHBondContact NH2-O 3.32Å; L99-L101 HydrophobicContact CB-CD1 4.18Å; L99-L101 HydrophobicContact CB-CG 3.95Å; L99-L101 HydrophobicContact CD2-CD1 3.48Å; L99-L101 VanDerWaalsContact CD2-CD1 3.48Å; L99-L101 HydrophobicContact CD2-CD2 3.97Å; L99-L101 HydrophobicContact CD2-CG 3.59Å; L99-L101 HydrophobicContact CG-CD1 4.4Å; L99-L101 HydrophobicContact CG-CG 4.17Å; L99-L101 PolarHBondContact O-N 2.89Å; L99-D116 WeakPolarHBondContact CB-OD2 3.24Å; L99-D116 PolarHBondContact N-OD2 3.38Å; L99-L149 HydrophobicContact CD1-CD2 4.11Å
100D51.6Low41.3Very low76 Ų76112 Ų11241%0.40654%0.537SS..  trans-69.364.8158.2-16926.1000108.5F98 K156F98-D100 PolarHBondContact O-N 2.83Å; D100-K156 IonicContact OD2-NZ 3.94Å; D100-K156 PolarHBondContact OD2-NZ 2.86Å
101L52.7Low42.3Very low10 Ų10110.9 Ų110.95%0.05253%0.525CS..  trans-77.5113.5161.4-68.8169.5000104.8K27 P37 L99 L103K27-L101 WeakPolarHBondContact O-CD2 3.41Å; P37-L101 HydrophobicContact CB-CD1 3.83Å; P37-L101 HydrophobicContact CG-CD1 3.81Å; P37-L101 HydrophobicContact CG-CD2 3.9Å; P37-L101 HydrophobicContact CG-CG 4.43Å; L99-L101 HydrophobicContact CB-CD1 4.18Å; L99-L101 HydrophobicContact CB-CG 3.95Å; L99-L101 HydrophobicContact CD2-CD1 3.48Å; L99-L101 VanDerWaalsContact CD2-CD1 3.48Å; L99-L101 HydrophobicContact CD2-CD2 3.97Å; L99-L101 HydrophobicContact CD2-CG 3.59Å; L99-L101 HydrophobicContact CG-CD1 4.4Å; L99-L101 HydrophobicContact CG-CG 4.17Å; L99-L101 PolarHBondContact O-N 2.89Å; L101-L103 HydrophobicContact CB-CB 4.2Å; L101-L103 HydrophobicContact CB-CD1 3.61Å; L101-L103 HydrophobicContact CB-CG 4.14Å; L101-L103 HydrophobicContact CD1-CD1 3.67Å; L101-L103 HydrophobicContact CD2-CD1 4.35Å; L101-L103 HydrophobicContact CG-CD1 4.07Å; L101-L103 PolarHBondContact O-N 2.78Å
102E48.4Very low43.8Very low46 Ų46103.1 Ų103.122%0.21550%0.497CS..  trans-63.658.6166.7-68161.8-179.200110.2S153 R414E102-S153 PolarHBondContact OE2-OG 2.9Å; E102-R414 IonicContact OE2-NH1 3.86Å
103L38Very low45.6Very low58 Ų5897.5 Ų97.530%0.30448%0.48SS..  trans-104.8106.4178.1-88.2156.6000107.4E38 L101E38-L103 HydrophobicContact CG-CD1 4Å; E38-L103 VanDerWaalsContact OE1-CD1 3.23Å; E38-L103 WeakPolarHBondContact OE1-CD1 3.46Å; L101-L103 HydrophobicContact CB-CB 4.2Å; L101-L103 HydrophobicContact CB-CD1 3.61Å; L101-L103 HydrophobicContact CB-CG 4.14Å; L101-L103 HydrophobicContact CD1-CD1 3.67Å; L101-L103 HydrophobicContact CD2-CD1 4.35Å; L101-L103 HydrophobicContact CG-CD1 4.07Å; L101-L103 PolarHBondContact O-N 2.78Å
104N38.1Very low47.7Very low40 Ų4089.3 Ų89.321%0.21445%0.45CS..  trans69.180.3150.6-55.2-40.2000117.3D106 F107 K322N104-D106 PolarHBondContact O-N 2.85Å; N104-D106 VanDerWaalsContact O-N 3.13Å; N104-F107 HydrophobicContact CB-CB 4.19Å; N104-F107 HydrophobicContact CB-CD2 3.99Å; N104-F107 PolarHBondContact O-N 2.87Å; N104-F107 VanDerWaalsContact O-N 3.1Å; N104-K322 PolarHBondContact OD1-NZ 3.41Å
105R36.2Very low49.9Very low196 Ų19687 Ų8774%0.7444%0.435SS*.G310 helixtrans-56.3-17.9153.2-80.6-174.5167.6179.2-2.1113.1F107 D164R105-F107 VanDerWaalsContact C-N 3.27Å; R105-F107 PolarHBondContact O-N 3.37Å; R105-D164 IonicContact CZ-OD2 3.08Å; R105-D164 IonicContact NH1-OD2 3.41Å; R105-D164 PolarHBondContact NH1-OD2 3.08Å; R105-D164 IonicContact NH2-OD2 3.79Å; R105-D164 PolarHBondContact NH2-OD2 2.91Å
106D34.6Very low52Low118 Ų11885.4 Ų85.463%0.63141%0.414SS*.G310 helixtrans-72.5-14.5175.4-49.3-41.6000113.9N104 K322N104-D106 PolarHBondContact O-N 2.85Å; N104-D106 VanDerWaalsContact O-N 3.13Å; D106-K322 IonicContact OD2-NZ 3.25Å; D106-K322 PolarHBondContact OD2-NZ 3.09Å; D106-K322 VanDerWaalsContact OD2-NZ 3.1Å
107F36.8Very low53.8Low97 Ų9779.9 Ų79.943%0.42539%0.391SS..G310 helixtrans-123.731.7-177.9-73.7-79.5000113.5N104 R105 G109 Y112N104-F107 HydrophobicContact CB-CB 4.19Å; N104-F107 HydrophobicContact CB-CD2 3.99Å; N104-F107 PolarHBondContact O-N 2.87Å; N104-F107 VanDerWaalsContact O-N 3.1Å; R105-F107 VanDerWaalsContact C-N 3.27Å; R105-F107 PolarHBondContact O-N 3.37Å; F107-G109 PolarHBondContact O-N 2.84Å; F107-G109 VanDerWaalsContact O-N 3.07Å; F107-Y112 HydrophobicContact CD1-CE2 4.3Å
108N35Very low55.5Low148 Ų14875.9 Ų75.979%0.79137%0.367SS*.  trans-74.333.1153.1-92.8-0.1000111.5
109G40.1Very low57Low38 Ų3874.5 Ų74.539%0.39236%0.361SS..  trans-67.6134.9160.500000107.4F107 D111F107-G109 PolarHBondContact O-N 2.84Å; F107-G109 VanDerWaalsContact O-N 3.07Å; G109-D111 PolarHBondContact O-N 2.84Å
110E45.4Very low58.5Low172 Ų17274.3 Ų74.380%0.80436%0.36SS*.THydrogen-bonded Turntrans-59.86.9-178.2-61.5-170.9141.400114.9K80K80-E110 WeakPolarHBondContact CD-O 3.42Å; K80-E110 PolarHBondContact NZ-O 2.85Å
111D49.9Very low60.4Low88 Ų8870.8 Ų70.847%0.47134%0.341SS..THydrogen-bonded Turntrans-100.1-10.4-162.8-61.3-34000115.2K80 G109K80-D111 WeakPolarHBondContact CB-O 3.41Å; K80-D111 PolarHBondContact N-O 2.84Å; G109-D111 PolarHBondContact O-N 2.84Å
112Y61Low62.1Low77 Ų7770.8 Ų70.830%0.30234%0.341SS..EExtended strand (participates in β ladder)trans-121143.6-178.1-62.5-85.1000113.5V77 K78 E79 F107V77-Y112 HydrophobicContact CG1-CD1 3.78Å; V77-Y112 HydrophobicContact CG1-CG 4.38Å; K78-Y112 CarbonylContact O-C 3.57Å; K78-Y112 WeakPolarHBondContact O-CA 3.4Å; E79-Y112 HydrophobicContact CB-CD1 4.24Å; E79-Y112 HydrophobicContact CB-CE1 4.12Å; E79-Y112 HydrophobicContact CG-CD1 4.42Å; E79-Y112 HydrophobicContact CG-CE1 4.06Å; F107-Y112 HydrophobicContact CD1-CE2 4.3Å
113E71.9Confident64Low114 Ų11468.8 Ų68.853%0.53333%0.332SS..EExtended strand (participates in β ladder)trans-111.8135.2169-73.1-176.117700110K78 K80K78-E113 HydrophobicContact CB-CB 4.42Å; K78-E113 PolarHBondContact N-O 3.44Å; K78-E113 PolarHBondContact O-N 2.8Å; K80-E113 HydrophobicContact CD-CG 4.39Å; K80-E113 HydrophobicContact CG-CG 3.89Å
114Y74.9Confident66.2Low69 Ų6969.4 Ų69.427%0.27134%0.34SS..EExtended strand (participates in β ladder)trans-112.6134.1-179.2-60-83.9000110.5R75 H76 V77R75-Y114 HydrophobicContact CG-CD1 4.19Å; H76-Y114 WeakPolarHBondContact O-CA 3.45Å; V77-Y114 HydrophobicContact CB-CD1 4.45Å; V77-Y114 HydrophobicContact CB-CE1 4.38Å; V77-Y114 HydrophobicContact CG1-CD1 4.27Å; V77-Y114 HydrophobicContact CG1-CE1 3.87Å; V77-Y114 HydrophobicContact CG2-CD1 3.89Å; V77-Y114 HydrophobicContact CG2-CE1 3.8Å
115E79.5Confident68.3Low93 Ų9374.5 Ų74.544%0.43537%0.367SS..EExtended strand (participates in β ladder)trans-125.7114.4175.4-176.5172.2-162.100109.4H76 K78H76-E115 HydrophobicContact CB-CB 4.36Å; H76-E115 PolarHBondContact N-O 2.94Å; H76-E115 PolarHBondContact O-N 3.3Å; K78-E115 IonicContact NZ-OE2 3.78Å; K78-E115 PolarHBondContact NZ-OE2 3.2Å
116D82.6Confident70.6Confident15 Ų1569.7 Ų69.78%0.0835%0.352CS..EExtended strand (participates in β ladder)trans-92132.3179.5-67.5-26.1000110.7R75 V97 F98 L99R75-D116 IonicContact CZ-OD1 2.84Å; R75-D116 IonicContact CZ-OD2 4Å; R75-D116 IonicContact NE-OD1 3.16Å; R75-D116 PolarHBondContact NE-OD1 3.41Å; R75-D116 IonicContact NH2-OD1 3.6Å; R75-D116 PolarHBondContact NH2-OD1 2.88Å; R75-D116 VanDerWaalsContact NH2-OD1 3.09Å; R75-D116 IonicContact NH2-OD2 3.67Å; R75-D116 PolarHBondContact NH2-OD2 3.18Å; V97-D116 WeakPolarHBondContact CG1-OD2 3.45Å; F98-D116 HydrophobicContact CD1-CB 4.19Å; F98-D116 HydrophobicContact CE1-CB 3.78Å; F98-D116 HydrophobicContact CE2-CB 4.5Å; F98-D116 HydrophobicContact CZ-CB 3.94Å; F98-D116 PolarHBondContact N-OD2 2.82Å; L99-D116 WeakPolarHBondContact CB-OD2 3.24Å; L99-D116 PolarHBondContact N-OD2 3.38Å
117E85.8Confident73Confident63 Ų6368.3 Ų68.329%0.29434%0.341SS..EExtended strand (participates in β ladder)trans-121.8129.6178.5-176.7179.4-167.500108.9K74 H76 K119K74-E117 HydrophobicContact CB-CB 4.42Å; K74-E117 PolarHBondContact N-O 3.44Å; K74-E117 PolarHBondContact O-N 2.84Å; H76-E117 IonicContact CD2-OE2 3.1Å; H76-E117 IonicContact CE1-OE2 2.7Å; H76-E117 IonicContact NE2-OE2 3.67Å; H76-E117 PolarHBondContact NE2-OE2 2.78Å; E117-K119 WeakPolarHBondContact OE1-CE 3.06Å; E117-K119 IonicContact OE1-NZ 2.79Å; E117-K119 PolarHBondContact OE1-NZ 3.34Å; E117-K119 VanDerWaalsContact OE1-NZ 3.1Å
118A87.3Confident75.4Confident5 Ų568.2 Ų68.24%0.04134%0.342CS..EExtended strand (participates in β ladder)trans-127.7136.1175.100000110.8H72 L73 F98 L131 L149H72-A118 CarbonylContact O-C 3.51Å; H72-A118 WeakPolarHBondContact O-CA 3.35Å; L73-A118 HydrophobicContact CD2-CB 3.81Å; F98-A118 HydrophobicContact CE2-CB 3.71Å; F98-A118 HydrophobicContact CZ-CB 3.61Å; A118-L131 HydrophobicContact CB-CD1 4.37Å; A118-L131 WeakPolarHBondContact O-CB 3.33Å; A118-L131 PolarHBondContact O-N 2.84Å; A118-L149 HydrophobicContact CB-CD2 4.28Å
119K90.4Very high77.7Confident37 Ų3761.3 Ų61.316%0.16131%0.305CS..EExtended strand (participates in β ladder)trans-138.6150.7179.5-57.7179.5175.7169.10110.6M71 H72 E117 V121 E128 I129M71-K119 CarbonylContact C-O 3.55Å; M71-K119 WeakPolarHBondContact CA-O 3.47Å; H72-K119 HydrophobicContact CB-CB 4.38Å; H72-K119 PolarHBondContact N-O 3.05Å; H72-K119 PolarHBondContact O-N 3.31Å; E117-K119 WeakPolarHBondContact OE1-CE 3.06Å; E117-K119 IonicContact OE1-NZ 2.79Å; E117-K119 PolarHBondContact OE1-NZ 3.34Å; E117-K119 VanDerWaalsContact OE1-NZ 3.1Å; K119-V121 HydrophobicContact CB-CG2 4.5Å; K119-E128 HydrophobicContact CD-CB 4.38Å; K119-E128 WeakPolarHBondContact CD-OE2 3.36Å; K119-E128 IonicContact NZ-OE2 2.67Å; K119-E128 PolarHBondContact NZ-OE2 2.99Å; K119-I129 CarbonylContact C-O 3.47Å; K119-I129 VanDerWaalsContact CA-O 3.31Å; K119-I129 WeakPolarHBondContact CA-O 3.37Å
120L89.3Confident79.7Confident1 Ų163 Ų631%0.00531%0.309CS..EExtended strand (participates in β ladder)trans-92.3128.5165-163.172000108.7L9 M47 V69 E128 I129 V141L9-L120 HydrophobicContact CD1-CD2 4.29Å; L9-L120 HydrophobicContact CD2-CD2 3.88Å; M47-L120 HydrophobicContact CG-CD1 4.09Å; V69-L120 HydrophobicContact CG1-CD1 3.63Å; V69-L120 HydrophobicContact CG1-CD2 4.14Å; V69-L120 HydrophobicContact CG1-CG 3.94Å; L120-E128 CarbonylContact O-C 2.99Å; L120-E128 WeakPolarHBondContact O-CA 3.28Å; L120-I129 HydrophobicContact CB-CB 4.23Å; L120-I129 HydrophobicContact CD2-CD1 4.45Å; L120-I129 PolarHBondContact N-O 3.25Å; L120-I129 PolarHBondContact O-N 3.43Å; L120-V141 HydrophobicContact CD2-CG1 3.92Å
121V90.9Very high81.2Confident1 Ų156.7 Ų56.71%0.00628%0.281CS..EExtended strand (participates in β ladder)trans-120.3129.5-178.8-175.40000109.7Y44 Y70 H72 K119 F123 F127 E128Y44-V121 HydrophobicContact CE1-CB 4.33Å; Y44-V121 HydrophobicContact CE1-CG1 4.31Å; Y44-V121 HydrophobicContact CE1-CG2 4.15Å; Y70-V121 PolarHBondContact N-O 2.79Å; Y70-V121 PolarHBondContact O-N 3.04Å; H72-V121 HydrophobicContact CB-CG2 3.61Å; K119-V121 HydrophobicContact CB-CG2 4.5Å; V121-F123 HydrophobicContact CG1-CD2 4.38Å; V121-F123 HydrophobicContact CG1-CE2 3.98Å; V121-F127 WeakPolarHBondContact CA-O 3.28Å; V121-E128 HydrophobicContact CG2-CG 4.19Å
122I89Confident81.6Confident10 Ų1057.4 Ų57.45%0.05129%0.29CS..EExtended strand (participates in β ladder)trans-111.2121.4-179.8-49.7174000110L8 L9 F12 S68 H126 F127 I129L8-I122 HydrophobicContact CD2-CD1 4.01Å; L8-I122 HydrophobicContact CG-CD1 4.25Å; L9-I122 HydrophobicContact CD2-CD1 3.56Å; L9-I122 HydrophobicContact CD2-CG1 4.31Å; L9-I122 HydrophobicContact CG-CD1 4.32Å; F12-I122 HydrophobicContact CD2-CG2 4.19Å; F12-I122 HydrophobicContact CE2-CG2 3.74Å; F12-I122 HydrophobicContact CZ-CG2 3.95Å; S68-I122 CarbonylContact O-C 3.51Å; S68-I122 WeakPolarHBondContact O-CA 3.21Å; I122-H126 CarbonylContact O-C 3.55Å; I122-H126 VanDerWaalsContact O-CA 3.27Å; I122-H126 WeakPolarHBondContact O-CA 3.45Å; I122-H126 PolarHBondContact O-N 3.11Å; I122-F127 HydrophobicContact CB-CB 4.39Å; I122-F127 HydrophobicContact CD1-CD1 4.37Å; I122-F127 PolarHBondContact N-O 3.49Å; I122-F127 PolarHBondContact O-N 3.33Å; I122-I129 HydrophobicContact CD1-CD1 4.33Å
123F87.7Confident81.6Confident4 Ų456.9 Ų56.92%0.01829%0.293CS..THydrogen-bonded Turntrans-88.5152.3174.5-77.2-102.5000111.3Y44 V58 Y62 S68 Y70 V121 H126Y44-F123 HydrophobicContact CD1-CE2 4.44Å; V58-F123 HydrophobicContact CB-CZ 4.26Å; V58-F123 HydrophobicContact CG1-CE1 4.1Å; V58-F123 HydrophobicContact CG1-CE2 4.39Å; V58-F123 HydrophobicContact CG1-CZ 3.53Å; V58-F123 HydrophobicContact CG2-CE1 4.5Å; V58-F123 HydrophobicContact CG2-CE2 3.75Å; V58-F123 HydrophobicContact CG2-CZ 3.69Å; Y62-F123 HydrophobicContact CD2-CB 3.88Å; Y62-F123 HydrophobicContact CE2-CB 4.05Å; Y62-F123 HydrophobicContact CG-CB 4.16Å; S68-F123 WeakPolarHBondContact CB-O 3.44Å; S68-F123 PolarHBondContact O-N 3.12Å; Y70-F123 AromaticContact CD2-CD2 3.51Å; Y70-F123 HydrophobicContact CD2-CD2 3.51Å; Y70-F123 AromaticContact CD2-CE2 3.72Å; Y70-F123 HydrophobicContact CD2-CE2 3.72Å; Y70-F123 AromaticContact CE2-CD2 3.69Å; Y70-F123 HydrophobicContact CE2-CD2 3.69Å; Y70-F123 HydrophobicContact CE2-CE2 4.1Å; Y70-F123 HydrophobicContact CE2-CG 4.35Å; Y70-F123 HydrophobicContact CG-CE2 4.46Å; V121-F123 HydrophobicContact CG1-CD2 4.38Å; V121-F123 HydrophobicContact CG1-CE2 3.98Å; F123-H126 AromaticContact CD1-CE1 3.86Å; F123-H126 AromaticContact CD1-NE2 3.89Å; F123-H126 AromaticContact CE1-CD2 3.7Å; F123-H126 AromaticContact CE1-CE1 3.58Å; F123-H126 AromaticContact CE1-NE2 3.15Å; F123-H126 WeakPolarHBondContact CE1-NE2 3.29Å; F123-H126 AromaticContact CZ-CD2 3.81Å; F123-H126 AromaticContact CZ-NE2 3.68Å
124P83.3Confident80.9Confident72 Ų7256.9 Ų56.947%0.46830%0.295SS..THydrogen-bonded Turncis-87-12.35.434.4-35.2000114.9Y62 H126Y62-P124 HydrophobicContact CE1-CB 4.19Å; P124-H126 PolarHBondContact O-CE1 2.96Å; P124-H126 PolarHBondContact O-N 3.25Å; P124-H126 PolarHBondContact O-ND1 3.16Å
125D82.8Confident79.9Confident147 Ų14762.9 Ų62.979%0.78633%0.326SS*.THydrogen-bonded Turntrans-76.1-2.8-172.8-62.8-35.5000114.1F127D125-F127 PolarHBondContact O-N 2.77Å
126H84.8Confident79.2Confident94 Ų9463.5 Ų63.544%0.43533%0.328SS..THydrogen-bonded Turntrans53.540.1-177-60.670.6000112.5I122 F123 P124 E128I122-H126 CarbonylContact O-C 3.55Å; I122-H126 VanDerWaalsContact O-CA 3.27Å; I122-H126 WeakPolarHBondContact O-CA 3.45Å; I122-H126 PolarHBondContact O-N 3.11Å; F123-H126 AromaticContact CD1-CE1 3.86Å; F123-H126 AromaticContact CD1-NE2 3.89Å; F123-H126 AromaticContact CE1-CD2 3.7Å; F123-H126 AromaticContact CE1-CE1 3.58Å; F123-H126 AromaticContact CE1-NE2 3.15Å; F123-H126 WeakPolarHBondContact CE1-NE2 3.29Å; F123-H126 AromaticContact CZ-CD2 3.81Å; F123-H126 AromaticContact CZ-NE2 3.68Å; P124-H126 PolarHBondContact O-CE1 2.96Å; P124-H126 PolarHBondContact O-N 3.25Å; P124-H126 PolarHBondContact O-ND1 3.16Å; H126-E128 PolarHBondContact O-N 2.86Å
127F85.1Confident78.7Confident90 Ų9063.6 Ų63.640%0.39533%0.329SS..EExtended strand (participates in β ladder)trans-69.6118.9178.9-172.1-98000109.9L8 V121 I122 D125 I129L8-F127 HydrophobicContact CD2-CD1 3.41Å; L8-F127 VanDerWaalsContact CD2-CD1 3.41Å; L8-F127 HydrophobicContact CD2-CE1 3.44Å; L8-F127 VanDerWaalsContact CD2-CE1 3.44Å; L8-F127 HydrophobicContact CD2-CG 4Å; L8-F127 HydrophobicContact CD2-CZ 4.06Å; V121-F127 WeakPolarHBondContact CA-O 3.28Å; I122-F127 HydrophobicContact CB-CB 4.39Å; I122-F127 HydrophobicContact CD1-CD1 4.37Å; I122-F127 PolarHBondContact N-O 3.49Å; I122-F127 PolarHBondContact O-N 3.33Å; D125-F127 PolarHBondContact O-N 2.77Å; F127-I129 HydrophobicContact CD1-CD1 4.19Å; F127-I129 HydrophobicContact CD1-CG1 3.85Å; F127-I129 HydrophobicContact CE1-CD1 4.02Å; F127-I129 HydrophobicContact CE1-CG1 3.6Å
128E86.7Confident78.5Confident94 Ų9462 Ų6244%0.43932%0.324SS..EExtended strand (participates in β ladder)trans-100.2129.4-176.6-58.4-171.9-178.900111.8K119 L120 V121 H126K119-E128 HydrophobicContact CD-CB 4.38Å; K119-E128 WeakPolarHBondContact CD-OE2 3.36Å; K119-E128 IonicContact NZ-OE2 2.67Å; K119-E128 PolarHBondContact NZ-OE2 2.99Å; L120-E128 CarbonylContact O-C 2.99Å; L120-E128 WeakPolarHBondContact O-CA 3.28Å; V121-E128 HydrophobicContact CG2-CG 4.19Å; H126-E128 PolarHBondContact O-N 2.86Å
129I84.1Confident78.2Confident3 Ų365.3 Ų65.32%0.01535%0.351CS..EExtended strand (participates in β ladder)trans-117.2113.4173.5-57.6166.4000108.1L5 L9 K119 L120 I122 F127 L137L5-I129 HydrophobicContact CD2-CB 4.35Å; L5-I129 HydrophobicContact CD2-CD1 3.78Å; L5-I129 HydrophobicContact CD2-CG1 3.88Å; L5-I129 HydrophobicContact CD2-CG2 3.55Å; L5-I129 HydrophobicContact CG-CD1 4.18Å; L5-I129 HydrophobicContact CG-CG1 4.47Å; L9-I129 HydrophobicContact CD1-CD1 4.19Å; K119-I129 CarbonylContact C-O 3.47Å; K119-I129 VanDerWaalsContact CA-O 3.31Å; K119-I129 WeakPolarHBondContact CA-O 3.37Å; L120-I129 HydrophobicContact CB-CB 4.23Å; L120-I129 HydrophobicContact CD2-CD1 4.45Å; L120-I129 PolarHBondContact N-O 3.25Å; L120-I129 PolarHBondContact O-N 3.43Å; I122-I129 HydrophobicContact CD1-CD1 4.33Å; F127-I129 HydrophobicContact CD1-CD1 4.19Å; F127-I129 HydrophobicContact CD1-CG1 3.85Å; F127-I129 HydrophobicContact CE1-CD1 4.02Å; F127-I129 HydrophobicContact CE1-CG1 3.6Å; I129-L137 HydrophobicContact CG2-CD2 4.34Å
130P81.1Confident77.9Confident75 Ų7567.3 Ų67.349%0.48736%0.363SS..EExtended strand (participates in β ladder)trans-70.5141.5179.928.3-33.2000112N133P130-N133 WeakPolarHBondContact O-CB 3.32Å
131L76.3Confident77.6Confident39 Ų3967.3 Ų67.320%0.20436%0.363CS..THydrogen-bonded Turntrans-102.9141.7172.1-66169.2000110A118 L137 C145A118-L131 HydrophobicContact CB-CD1 4.37Å; A118-L131 WeakPolarHBondContact O-CB 3.33Å; A118-L131 PolarHBondContact O-N 2.84Å; L131-L137 HydrophobicContact CD2-CD1 3.67Å; L131-C145 HydrophobicContact CD1-CB 4Å
132P59.6Low77.3Confident102 Ų10268.4 Ų68.466%0.66237%0.37SS*.THydrogen-bonded Turncis-100.595.111.335.7-28.7000112.9I134P132-I134 VanDerWaalsContact C-N 3.34Å; P132-I134 HydrophobicContact CB-CD1 4.11Å; P132-I134 HydrophobicContact CB-CG1 4.03Å; P132-I134 PolarHBondContact O-N 2.97Å
133N61.6Low77.1Confident67 Ų6772.5 Ų72.536%0.35839%0.391SS..  trans-90.567.9170.1-121.914.9000110.6P130 E135P130-N133 WeakPolarHBondContact O-CB 3.32Å; N133-E135 VanDerWaalsContact C-N 3.25Å; N133-E135 PolarHBondContact O-N 3.06Å
134I55.6Low77.1Confident113 Ų11372.3 Ų72.358%0.57939%0.39SS*.THydrogen-bonded Turntrans-67.4-23.3-169.9-60.3170.7000112.5P132P132-I134 VanDerWaalsContact C-N 3.34Å; P132-I134 HydrophobicContact CB-CD1 4.11Å; P132-I134 HydrophobicContact CB-CG1 4.03Å; P132-I134 PolarHBondContact O-N 2.97Å
135E54.9Low77.2Confident196 Ų19669 Ų6992%0.91637%0.369SS*.THydrogen-bonded Turntrans-84.4-15.1-173.1-64.1-173.6172.300114.5N133N133-E135 VanDerWaalsContact C-N 3.25Å; N133-E135 PolarHBondContact O-N 3.06Å
136E63.9Low77.3Confident106 Ų10665.9 Ų65.950%0.49535%0.352SS..THydrogen-bonded Turntrans-117.2-5.5-175.7-65.1-179170.600113.8
137L73.2Confident77.4Confident16 Ų1662.7 Ų62.78%0.08434%0.342CS..SBendtrans-97.5137.9-177-72.9174000112.3L5 L9 I129 L131L5-L137 HydrophobicContact CD2-CD2 4.32Å; L9-L137 HydrophobicContact CD1-CD2 3.47Å; L9-L137 VanDerWaalsContact CD1-CD2 3.47Å; I129-L137 HydrophobicContact CG2-CD2 4.34Å; L131-L137 HydrophobicContact CD2-CD1 3.67Å
138P81Confident77.5Confident30 Ų3058.4 Ų58.420%0.19532%0.323CS..  trans-57138.4172.3-26.636.6000112.1M13 L140 V141 T142M13-P138 HydrophobicContact CE-CB 3.32Å; M13-P138 HydrophobicContact CE-CG 3.21Å; P138-L140 PolarHBondContact O-N 3.5Å; P138-V141 HydrophobicContact CB-CG2 4.26Å; P138-V141 WeakPolarHBondContact O-CB 3.37Å; P138-V141 PolarHBondContact O-N 3.16Å; P138-T142 PolarHBondContact O-N 3.39Å
139A80.9Confident77.3Confident74 Ų7454.8 Ų54.861%0.61231%0.307SS*.Hα-helixtrans-52.5-38-172.500000114.3V141 T142 I143A139-V141 VanDerWaalsContact C-N 3.33Å; A139-V141 PolarHBondContact O-N 3.12Å; A139-T142 PolarHBondContact O-N 3.49Å; A139-I143 WeakPolarHBondContact O-CD1 3.34Å; A139-I143 VanDerWaalsContact O-CG1 3.22Å; A139-I143 WeakPolarHBondContact O-CG1 3.43Å; A139-I143 PolarHBondContact O-N 3.12Å
140L84Confident77.2Confident80 Ų8060.6 Ų60.642%0.41934%0.338SS..Hα-helixtrans-60.3-41.4176.7-179.966000112.3V18 P138 A144V18-L140 HydrophobicContact CG2-CD1 3.95Å; P138-L140 PolarHBondContact O-N 3.5Å; L140-A144 WeakPolarHBondContact O-CB 3.45Å; L140-A144 PolarHBondContact O-N 2.95Å
141V83.9Confident77.2Confident0 Ų057.7 Ų57.70%032%0.32CS..Hα-helixtrans-70.4-41.6-178.1-177.50000110.1I16 L120 P138 A139 A144 C145I16-V141 HydrophobicContact CD1-CG1 4.46Å; I16-V141 HydrophobicContact CD1-CG2 3.86Å; L120-V141 HydrophobicContact CD2-CG1 3.92Å; P138-V141 HydrophobicContact CB-CG2 4.26Å; P138-V141 WeakPolarHBondContact O-CB 3.37Å; P138-V141 PolarHBondContact O-N 3.16Å; A139-V141 VanDerWaalsContact C-N 3.33Å; A139-V141 PolarHBondContact O-N 3.12Å; V141-A144 PolarHBondContact O-N 3.16Å; V141-C145 WeakPolarHBondContact O-CB 3.43Å; V141-C145 PolarHBondContact O-N 3.43Å; V141-C145 PolarHBondContact O-SG 3.32Å
142T83.6Confident77Confident24 Ų2459.7 Ų59.715%0.14734%0.336CS..Hα-helixtrans-61.2-48.1175.4-50.40000111.1P138 A139 A144 C145 D146P138-T142 PolarHBondContact O-N 3.39Å; A139-T142 PolarHBondContact O-N 3.49Å; T142-A144 VanDerWaalsContact C-N 3.32Å; T142-A144 PolarHBondContact O-N 3.23Å; T142-C145 PolarHBondContact O-N 3.45Å; T142-D146 WeakPolarHBondContact O-CB 3.35Å; T142-D146 PolarHBondContact O-N 2.91Å
143I85.3Confident77.4Confident97 Ų9755.1 Ų55.150%0.49731%0.306SS..Hα-helixtrans-60.1-42.7176.2-67.2164.4000111V18 A139 A147V18-I143 HydrophobicContact CG1-CG2 4.03Å; V18-I143 HydrophobicContact CG2-CG2 4.19Å; A139-I143 WeakPolarHBondContact O-CD1 3.34Å; A139-I143 VanDerWaalsContact O-CG1 3.22Å; A139-I143 WeakPolarHBondContact O-CG1 3.43Å; A139-I143 PolarHBondContact O-N 3.12Å; I143-A147 WeakPolarHBondContact O-CB 3.5Å; I143-A147 PolarHBondContact O-N 2.82Å
144A87.1Confident77.8Confident0 Ų052.8 Ų52.80%030%0.296CS..Hα-helixtrans-63.4-46.4177.800000111.7I16 V18 M47 L140 V141 T142 A147 V148I16-A144 HydrophobicContact CG2-CB 3.69Å; V18-A144 HydrophobicContact CG2-CB 3.96Å; M47-A144 HydrophobicContact CE-CB 3.78Å; L140-A144 WeakPolarHBondContact O-CB 3.45Å; L140-A144 PolarHBondContact O-N 2.95Å; V141-A144 PolarHBondContact O-N 3.16Å; T142-A144 VanDerWaalsContact C-N 3.32Å; T142-A144 PolarHBondContact O-N 3.23Å; A144-A147 PolarHBondContact O-N 3.34Å; A144-V148 VanDerWaalsContact O-CG2 3.24Å; A144-V148 WeakPolarHBondContact O-CG2 3.36Å; A144-V148 PolarHBondContact O-N 2.81Å
145C86.4Confident78.2Confident2 Ų248.5 Ų48.51%0.01427%0.272CS..Hα-helixtrans-62-48.8178.9-65.30000111.2L131 V141 T142 A147 V148 L149L131-C145 HydrophobicContact CD1-CB 4Å; V141-C145 WeakPolarHBondContact O-CB 3.43Å; V141-C145 PolarHBondContact O-N 3.43Å; V141-C145 PolarHBondContact O-SG 3.32Å; T142-C145 PolarHBondContact O-N 3.45Å; C145-A147 VanDerWaalsContact C-N 3.29Å; C145-A147 PolarHBondContact O-N 2.98Å; C145-V148 PolarHBondContact O-N 2.8Å; C145-L149 WeakPolarHBondContact O-CB 3.46Å; C145-L149 VanDerWaalsContact O-CG 3.31Å; C145-L149 WeakPolarHBondContact O-CG 3.36Å; C145-L149 PolarHBondContact O-N 3.24Å
146D85.1Confident78.2Confident81 Ų8143.4 Ų43.443%0.43325%0.247SC..Hα-helixtrans-60.5-40.4177.2-75.8-19.2000111.4T142 L149 N150T142-D146 WeakPolarHBondContact O-CB 3.35Å; T142-D146 PolarHBondContact O-N 2.91Å; D146-L149 PolarHBondContact O-N 2.79Å; D146-N150 VanDerWaalsContact O-CB 3.3Å; D146-N150 WeakPolarHBondContact O-CB 3.4Å; D146-N150 PolarHBondContact O-N 2.69Å; D146-N150 PolarHBondContact O-ND2 3.27Å
147A86.6Confident77.4Confident28 Ų2846.5 Ų46.523%0.23126%0.259CS..Hα-helixtrans-65.8-41176.900000112.5V18 P19 I143 A144 C145 A151V18-A147 HydrophobicContact CG1-CB 3.83Å; P19-A147 HydrophobicContact CG-CB 4.32Å; I143-A147 WeakPolarHBondContact O-CB 3.5Å; I143-A147 PolarHBondContact O-N 2.82Å; A144-A147 PolarHBondContact O-N 3.34Å; C145-A147 VanDerWaalsContact C-N 3.29Å; C145-A147 PolarHBondContact O-N 2.98Å; A147-A151 WeakPolarHBondContact O-CA 3.27Å; A147-A151 WeakPolarHBondContact O-CB 3.38Å; A147-A151 PolarHBondContact O-N 3.19Å
148V85.7Confident75.8Confident0 Ų049.6 Ų49.60%027%0.273CS..Hα-helixtrans-69.1-38.8177.8-176.90000111.2P19 V25 V45 M47 F50 M71 A144 C145P19-V148 HydrophobicContact CG-CB 4.37Å; P19-V148 HydrophobicContact CG-CG2 3.48Å; P19-V148 VanDerWaalsContact CG-CG2 3.48Å; V25-V148 HydrophobicContact CG1-CG1 3.64Å; V45-V148 HydrophobicContact CG1-CG1 3.97Å; M47-V148 HydrophobicContact CE-CG2 4.28Å; M47-V148 HydrophobicContact SD-CG2 4.23Å; F50-V148 HydrophobicContact CD1-CG2 4.15Å; F50-V148 HydrophobicContact CE1-CG2 4.25Å; M71-V148 HydrophobicContact CE-CB 3.65Å; M71-V148 HydrophobicContact CE-CG1 3.19Å; A144-V148 VanDerWaalsContact O-CG2 3.24Å; A144-V148 WeakPolarHBondContact O-CG2 3.36Å; A144-V148 PolarHBondContact O-N 2.81Å; C145-V148 PolarHBondContact O-N 2.8Å
149L83.9Confident73.7Confident17 Ų1753 Ų539%0.08929%0.286CS..Hα-helixtrans-65.1-43.5176.8-70178.6000112K27 M71 L73 F98 L99 A118 C145 D146K27-L149 PolarHBondContact NZ-O 2.8Å; M71-L149 HydrophobicContact CE-CD2 3.7Å; M71-L149 HydrophobicContact CE-CG 4.15Å; M71-L149 HydrophobicContact SD-CD2 3.74Å; M71-L149 HydrophobicContact SD-CG 3.89Å; L73-L149 HydrophobicContact CD2-CD2 3.73Å; F98-L149 HydrophobicContact CD2-CB 4.4Å; F98-L149 HydrophobicContact CD2-CD1 3.91Å; F98-L149 HydrophobicContact CD2-CD2 3.75Å; F98-L149 HydrophobicContact CD2-CG 4.23Å; F98-L149 HydrophobicContact CE2-CD1 3.86Å; F98-L149 HydrophobicContact CE2-CD2 3.53Å; F98-L149 HydrophobicContact CE2-CG 4.27Å; L99-L149 HydrophobicContact CD1-CD2 4.11Å; A118-L149 HydrophobicContact CB-CD2 4.28Å; C145-L149 WeakPolarHBondContact O-CB 3.46Å; C145-L149 VanDerWaalsContact O-CG 3.31Å; C145-L149 WeakPolarHBondContact O-CG 3.36Å; C145-L149 PolarHBondContact O-N 3.24Å; D146-L149 PolarHBondContact O-N 2.79Å
150N82.5Confident71.4Confident126 Ų12655 Ų5567%0.67429%0.293SS*.Hα-helixtrans-84.9-11.9-179.1-65.6-53.7000114D146D146-N150 VanDerWaalsContact O-CB 3.3Å; D146-N150 WeakPolarHBondContact O-CB 3.4Å; D146-N150 PolarHBondContact O-N 2.69Å; D146-N150 PolarHBondContact O-ND2 3.27Å
151A79.8Confident68.7Low13 Ų1358.4 Ų58.411%0.10731%0.307CS..SBendtrans-59.9139.8178.300000110.9V25 K27 A147V25-A151 HydrophobicContact CB-CB 3.95Å; V25-A151 HydrophobicContact CG1-CB 4.33Å; V25-A151 HydrophobicContact CG2-CB 3.59Å; K27-A151 WeakPolarHBondContact CE-O 3.4Å; K27-A151 PolarHBondContact NZ-O 2.75Å; A147-A151 WeakPolarHBondContact O-CA 3.27Å; A147-A151 WeakPolarHBondContact O-CB 3.38Å; A147-A151 PolarHBondContact O-N 3.19Å
152P72.1Confident66.2Low82 Ų8261.9 Ų61.953%0.53233%0.331SS..PPolyproline II helixtrans-61.5151.8174.827.1-34000110.6A154 K156P152-A154 PolarHBondContact O-N 2.95Å; P152-K156 HydrophobicContact CB-CB 4.22Å; P152-K156 HydrophobicContact CB-CD 3.82Å
153S69.3Low63.9Low5 Ų569.9 Ų69.94%0.03536%0.359CS..BIsolated β-bridgetrans-50.5139.7170.9177.60000110.2E102 Y155 K156E102-S153 PolarHBondContact OE2-OG 2.9Å; S153-Y155 PolarHBondContact O-N 3.47Å; S153-Y155 WeakPolarHBondContact OG-CD2 3.31Å; S153-K156 WeakPolarHBondContact O-CB 3.42Å; S153-K156 PolarHBondContact O-N 3.33Å
154A68Low61.5Low18 Ų1869.5 Ų69.515%0.14936%0.358CS..THydrogen-bonded Turntrans-54.4-17.7177.700000113.8R24 V25 Y26 P152R24-A154 HydrophobicContact CB-CB 4.17Å; V25-A154 PolarHBondContact O-N 3.05Å; Y26-A154 HydrophobicContact CD1-CB 3.84Å; Y26-A154 HydrophobicContact CD2-CB 4.34Å; Y26-A154 HydrophobicContact CE1-CB 3.85Å; Y26-A154 HydrophobicContact CE2-CB 4.34Å; Y26-A154 HydrophobicContact CG-CB 4.1Å; P152-A154 PolarHBondContact O-N 2.95Å
155Y64.9Low59.3Low23 Ų2374.9 Ų74.99%0.0938%0.383CS..THydrogen-bonded Turntrans-94.9-9.5-177.6-50.4-69000114S28 S153 K157 Q158 R414 M415S28-Y155 WeakPolarHBondContact OG-CE2 3.17Å; S153-Y155 PolarHBondContact O-N 3.47Å; S153-Y155 WeakPolarHBondContact OG-CD2 3.31Å; Y155-K157 VanDerWaalsContact C-N 3.26Å; Y155-K157 PolarHBondContact O-N 2.9Å; Y155-Q158 PolarHBondContact O-N 3.09Å; Y155-Q158 VanDerWaalsContact O-N 3.11Å; Y155-R414 HydrophobicContact CD1-CB 4.38Å; Y155-R414 HydrophobicContact CE1-CB 4.15Å; Y155-M415 VanDerWaalsContact OH-CE 3.31Å; Y155-M415 WeakPolarHBondContact OH-CE 3.42Å
156K54.8Low57.3Low90 Ų9083.3 Ų83.339%0.39142%0.422SS..G310 helixtrans-68.4-17.8-173.2-145.1166.4-166169.80114.3D100 P152 S153 Q158D100-K156 IonicContact OD2-NZ 3.94Å; D100-K156 PolarHBondContact OD2-NZ 2.86Å; P152-K156 HydrophobicContact CB-CB 4.22Å; P152-K156 HydrophobicContact CB-CD 3.82Å; S153-K156 WeakPolarHBondContact O-CB 3.42Å; S153-K156 PolarHBondContact O-N 3.33Å; K156-Q158 PolarHBondContact O-N 3.32Å
157K46.4Very low56.2Low171 Ų17183.4 Ų83.474%0.74342%0.422SS*.G310 helixtrans-73.1-3.9172.5-87-175.8177.9176.10114.2Y155Y155-K157 VanDerWaalsContact C-N 3.26Å; Y155-K157 PolarHBondContact O-N 2.9Å
158Q40.6Very low55.5Low81 Ų8189.1 Ų89.138%0.37944%0.444SS..G310 helixtrans-106.6-2.5176.9-79.7-175.9-22.600114.1Y155 K156 N430Y155-Q158 PolarHBondContact O-N 3.09Å; Y155-Q158 VanDerWaalsContact O-N 3.11Å; K156-Q158 PolarHBondContact O-N 3.32Å; Q158-N430 PolarHBondContact O-ND2 2.86Å
159E36.7Very low55.2Low100 Ų10092.9 Ų92.947%0.46747%0.466SS..SBendtrans-97.6114.3166.8-70.6-178.3171.600106.7E161E159-E161 PolarHBondContact O-N 2.99Å
160P32.3Very low55.1Low116 Ų11692.3 Ų92.375%0.75346%0.464SS*.  trans-54.3127.6152.323-23.9000104.6S162P160-S162 VanDerWaalsContact C-N 3.3Å; P160-S162 PolarHBondContact O-N 3.23Å
161E27.8Very low55.1Low152 Ų15296.2 Ų96.271%0.7147%0.469SS*.  trans-39.9102.7174.1-74.9173155.200107.3E159 W163E159-E161 PolarHBondContact O-N 2.99Å; E161-W163 VanDerWaalsContact O-CD1 3.29Å; E161-W163 PolarHBondContact O-N 3.28Å
162S31.8Very low55.2Low74 Ų7497.1 Ų97.152%0.51747%0.471SS..  trans-65.798.915853.20000101.3P160 D164P160-S162 VanDerWaalsContact C-N 3.3Å; P160-S162 PolarHBondContact O-N 3.23Å; S162-D164 PolarHBondContact O-N 3.29Å; S162-D164 PolarHBondContact OG-OD2 2.92Å
163W34.6Very low55.5Low192 Ų19293.2 Ų93.273%0.72745%0.446SS*.  trans-58.975.4158.9-69.679.6000105.5E161 E165E161-W163 VanDerWaalsContact O-CD1 3.29Å; E161-W163 PolarHBondContact O-N 3.28Å; W163-E165 HydrophobicContact CB-CG 4.49Å; W163-E165 HydrophobicContact CE3-CG 4.44Å; W163-E165 PolarHBondContact O-N 2.89Å
164D35.3Very low55.8Low89 Ų89103.2 Ų103.248%0.47648%0.483SS..  trans-74.267.9159-70.5-37.7000104.7R105 S162 E166R105-D164 IonicContact CZ-OD2 3.08Å; R105-D164 IonicContact NH1-OD2 3.41Å; R105-D164 PolarHBondContact NH1-OD2 3.08Å; R105-D164 IonicContact NH2-OD2 3.79Å; R105-D164 PolarHBondContact NH2-OD2 2.91Å; S162-D164 PolarHBondContact O-N 3.29Å; S162-D164 PolarHBondContact OG-OD2 2.92Å; D164-E166 PolarHBondContact O-N 3.03Å
165E40.7Very low56.3Low112 Ų112106 Ų10652%0.52350%0.501SS..  trans-53.9119.4152.6-71177.1166.200104.6W163 I167W163-E165 HydrophobicContact CB-CG 4.49Å; W163-E165 HydrophobicContact CE3-CG 4.44Å; W163-E165 PolarHBondContact O-N 2.89Å; E165-I167 VanDerWaalsContact C-N 3.28Å; E165-I167 PolarHBondContact O-N 2.84Å
166E45.1Very low57.2Low179 Ų179106 Ų10684%0.83650%0.502SS*.  trans-54.7101.9170.3-76.9-177.7163.300106.9D164 Q168D164-E166 PolarHBondContact O-N 3.03Å; E166-Q168 WeakPolarHBondContact O-CG 3.25Å; E166-Q168 PolarHBondContact O-N 3.19Å
167I61Low58.4Low84 Ų84111.9 Ų111.943%0.43152%0.522SS..  trans-55.6111.4-175.5-57.2-179.4000107E165 A259 V260 L261E165-I167 VanDerWaalsContact C-N 3.28Å; E165-I167 PolarHBondContact O-N 2.84Å; I167-A259 WeakPolarHBondContact CG2-O 3.31Å; I167-V260 VanDerWaalsContact CG2-CA 3.46Å; I167-L261 HydrophobicContact CB-CD1 4.5Å; I167-L261 HydrophobicContact CB-CD2 4.37Å; I167-L261 HydrophobicContact CB-CG 4Å; I167-L261 HydrophobicContact CG2-CD2 4.03Å; I167-L261 HydrophobicContact CG2-CG 3.68Å; I167-L261 VanDerWaalsContact O-CD1 3.26Å; I167-L261 WeakPolarHBondContact O-CD1 3.37Å; I167-L261 WeakPolarHBondContact O-CG 3.46Å
168Q72.3Confident60.3Low148 Ų148105.8 Ų105.869%0.69250%0.496SS*.PPolyproline II helixtrans-77.3150.5-175.9-63-157.8-8.200110.4E166 S170 V260 L261E166-Q168 WeakPolarHBondContact O-CG 3.25Å; E166-Q168 PolarHBondContact O-N 3.19Å; Q168-S170 PolarHBondContact O-N 2.94Å; Q168-V260 CarbonylContact O-C 3.51Å; Q168-V260 WeakPolarHBondContact O-CA 3.48Å; Q168-L261 PolarHBondContact O-N 2.68Å
169V79.3Confident62.4Low78 Ų78105 Ų10547%0.47349%0.494SS..BIsolated β-bridgetrans-66.2127.5172.2173.10000109.1A173 L261 P263V169-A173 HydrophobicContact CG1-CB 4.49Å; V169-L261 CarbonylContact C-O 3.52Å; V169-L261 WeakPolarHBondContact CA-O 3.25Å; V169-L261 HydrophobicContact CG2-CB 4.12Å; V169-P263 HydrophobicContact CG1-CG 3.71Å; V169-P263 HydrophobicContact CG2-CG 4.14Å
170S82Confident64.1Low6 Ų6107.2 Ų107.24%0.04251%0.51CS..PPolyproline II helixtrans-60.4141.4-178.8-176.80000111.9Q168 H172 A173 E256 L261Q168-S170 PolarHBondContact O-N 2.94Å; S170-H172 PolarHBondContact O-N 3.32Å; S170-H172 PolarHBondContact OG-N 2.73Å; S170-H172 VanDerWaalsContact OG-N 3.13Å; S170-A173 WeakPolarHBondContact O-CB 3.46Å; S170-A173 PolarHBondContact O-N 3.24Å; S170-E256 PolarHBondContact OG-OE2 3.15Å; S170-L261 PolarHBondContact N-O 2.88Å
171R83.5Confident66Low207 Ų207106.1 Ų106.178%0.78150%0.497SS*.THydrogen-bonded Turntrans-59.8-24.6170.2-67.1170.4-173.7-178.36.5112.7E256R171-E256 WeakPolarHBondContact CB-OE1 3.45Å; R171-E256 WeakPolarHBondContact CD-OE1 3.18Å; R171-E256 WeakPolarHBondContact CG-OE1 3.45Å; R171-E256 PolarHBondContact N-OE1 3.31Å
172H81.1Confident67.8Low32 Ų32102.5 Ų102.515%0.14850%0.501CS..THydrogen-bonded Turntrans-94.2-12.5-175.2-57.5-82.9000113.3S170 R174 S175 L176 P236 L237 E255S170-H172 PolarHBondContact O-N 3.32Å; S170-H172 PolarHBondContact OG-N 2.73Å; S170-H172 VanDerWaalsContact OG-N 3.13Å; H172-R174 PolarHBondContact O-N 3.23Å; H172-S175 PolarHBondContact O-N 3.36Å; H172-S175 VanDerWaalsContact O-N 3.07Å; H172-L176 WeakPolarHBondContact O-CB 3.49Å; H172-L176 PolarHBondContact O-N 2.87Å; H172-P236 HydrophobicContact CB-CB 4.47Å; H172-P236 HydrophobicContact CB-CG 3.98Å; H172-L237 HydrophobicContact CB-CD1 4.02Å; H172-L237 HydrophobicContact CB-CG 4.15Å; H172-E255 IonicContact CE1-OE1 3.86Å; H172-E255 IonicContact CE1-OE2 2.91Å; H172-E255 PolarHBondContact CE1-OE2 2.9Å; H172-E255 IonicContact ND1-OE2 3.95Å; H172-E255 IonicContact NE2-OE1 3.89Å; H172-E255 IonicContact NE2-OE2 3.1Å; H172-E255 PolarHBondContact NE2-OE2 3.48Å; H172-E255 VanDerWaalsContact NE2-OE2 3.1Å
173A77.8Confident69.9Low0 Ų0101.6 Ų101.60%049%0.492CS..THydrogen-bonded Turntrans-58.8-23.6-177.100000114.4V169 S170 D262 H264 H268V169-A173 HydrophobicContact CG1-CB 4.49Å; S170-A173 WeakPolarHBondContact O-CB 3.46Å; S170-A173 PolarHBondContact O-N 3.24Å; A173-D262 HydrophobicContact CB-CB 4.27Å; A173-D262 WeakPolarHBondContact CB-OD1 3.42Å; A173-H264 PolarHBondContact O-ND1 3.01Å; A173-H268 PolarHBondContact O-CE1 2.89Å
174R76.9Confident71.8Confident216 Ų216100.6 Ų100.682%0.81549%0.488SS*.THydrogen-bonded Turntrans-100.9-17.3177.7-69.6-177.3-178.7-175.11.4114.3H172H172-R174 PolarHBondContact O-N 3.23Å
175S78.4Confident73.8Confident75 Ų7597.1 Ų97.152%0.52447%0.47SS..THydrogen-bonded Turntrans-1140.4-172.959.30000112.8H172 R177H172-S175 PolarHBondContact O-N 3.36Å; H172-S175 VanDerWaalsContact O-N 3.07Å; S175-R177 PolarHBondContact O-N 3.06Å
176L82.1Confident75.2Confident23 Ų2395.1 Ų95.112%0.1247%0.466CS..  trans-60.4121.9179.1-164.672.4000110.1H172 Q178 L205 P236 L237H172-L176 WeakPolarHBondContact O-CB 3.49Å; H172-L176 PolarHBondContact O-N 2.87Å; L176-Q178 HydrophobicContact CD2-CG 4.48Å; L176-L205 HydrophobicContact CD2-CB 3.58Å; L176-L205 HydrophobicContact CD2-CD1 4.41Å; L176-P236 HydrophobicContact CD1-CG 4.15Å; L176-L237 HydrophobicContact CD1-CB 4.32Å; L176-L237 HydrophobicContact CD1-CD1 4.13Å; L176-L237 HydrophobicContact CD1-CG 4.3Å; L176-L237 HydrophobicContact CD2-CD1 4.22Å
177R80.5Confident75.8Confident215 Ų21591 Ų9181%0.81146%0.455SS*.  trans-102.6108.5176.2-69.6-174.4176.6-166.9-0.9108.9S175 T206S175-R177 PolarHBondContact O-N 3.06Å; R177-T206 WeakPolarHBondContact O-CG2 3.31Å
178Q85.8Confident76Confident42 Ų4290.7 Ų90.720%0.19646%0.46CS..  trans-81.6135.6176.6-50.7-169.6-80.600110.3L176 L205 H268L176-Q178 HydrophobicContact CD2-CG 4.48Å; Q178-L205 WeakPolarHBondContact CG-O 3.43Å; Q178-L205 PolarHBondContact NE2-O 3.34Å; Q178-H268 PolarHBondContact NE2-O 3.39Å
179L85.7Confident75.7Confident64 Ų6486.7 Ų86.734%0.33546%0.458SS..  trans-82.9134.2179.1-61.1177.9000110.3N181 T206 D207 Y235 H271L179-N181 WeakPolarHBondContact CB-OD1 3.49Å; L179-N181 PolarHBondContact O-N 3.13Å; L179-T206 HydrophobicContact CD1-CG2 4.49Å; L179-T206 HydrophobicContact CG-CG2 4.25Å; L179-T206 PolarHBondContact N-O 2.72Å; L179-D207 HydrophobicContact CD1-CB 4.21Å; L179-Y235 HydrophobicContact CD1-CE2 4.42Å; L179-Y235 WeakPolarHBondContact CD1-OH 3.43Å; L179-H271 PolarHBondContact O-NE2 3.23Å
180D72.4Confident75.8Confident148 Ų14884.9 Ų84.979%0.79144%0.443SS*.  trans-80.168.8172.4-85.8-37.6000110.9H271D180-H271 IonicContact OD1-CE1 3.72Å; D180-H271 PolarHBondContact OD1-CE1 3.07Å; D180-H271 IonicContact OD1-NE2 2.71Å
181N73.1Confident75.9Confident92 Ų9288.6 Ų88.649%0.49246%0.459SS..  trans-89.63-178.1-66.4-14.2000113.5L179 V183L179-N181 WeakPolarHBondContact CB-OD1 3.49Å; L179-N181 PolarHBondContact O-N 3.13Å; N181-V183 HydrophobicContact CB-CG2 3.95Å; N181-V183 PolarHBondContact O-N 2.7Å
182G64.9Low76Confident76 Ų7679 Ų7978%0.78442%0.423SS*.  trans67.99.2-176.500000114.7
183V75Confident76.3Confident56 Ų5683.8 Ų83.834%0.33945%0.445SS..  trans-74.6124.5-179.7179.60000109.6N181 I185N181-V183 HydrophobicContact CB-CG2 3.95Å; N181-V183 PolarHBondContact O-N 2.7Å; V183-I185 HydrophobicContact CG1-CD1 3.87Å
184R75.3Confident76.6Confident171 Ų17188 Ų8865%0.64546%0.464SS*.  trans-114.5124.2172.2-73-72.2-172.9-134.9-1.2108.7H271R184-H271 PolarHBondContact NH1-O 3.23Å
185I76.4Confident77Confident16 Ų1678.8 Ų78.88%0.08243%0.432CS..  trans-88123.9-178.6-58.9-61.4000108.8V183 L203 G208 V210 F272 I274V183-I185 HydrophobicContact CG1-CD1 3.87Å; I185-L203 HydrophobicContact CD1-CD1 3.83Å; I185-L203 HydrophobicContact CG1-CD1 3.78Å; I185-L203 HydrophobicContact CG1-CD2 4.33Å; I185-G208 WeakPolarHBondContact CD1-O 3.06Å; I185-V210 HydrophobicContact CD1-CG2 3.92Å; I185-F272 HydrophobicContact CG1-CB 4.01Å; I185-F272 PolarHBondContact N-O 2.82Å; I185-F272 VanDerWaalsContact N-O 3.12Å; I185-I274 HydrophobicContact CB-CD1 3.99Å; I185-I274 HydrophobicContact CB-CG1 4.3Å; I185-I274 HydrophobicContact CG2-CD1 3.98Å
186P69.8Low77.1Confident69 Ų6982.5 Ų82.545%0.44844%0.442SS..  trans-64.4154.6175.227.8-33.6000109.9S188 W190P186-S188 VanDerWaalsContact C-N 3.28Å; P186-S188 PolarHBondContact O-N 3.04Å; P186-W190 PolarHBondContact O-NE1 3.26Å
187P58.7Low76.8Confident94 Ų9483.8 Ų83.861%0.6145%0.447SS*.SBendtrans-77.6-6.3-177.329.4-35000114.6W190 M279P187-W190 VanDerWaalsContact O-CH2 3.22Å; P187-W190 WeakPolarHBondContact O-CH2 3.42Å; P187-W190 WeakPolarHBondContact O-CZ2 3.17Å; P187-M279 HydrophobicContact CB-CE 4.12Å
188S64.3Low76.6Confident77 Ų7781.5 Ų81.554%0.53844%0.439SS..SBendtrans-162.4169.1178.261.40000111.5P186P186-S188 VanDerWaalsContact C-N 3.28Å; P186-S188 PolarHBondContact O-N 3.04Å
189G67.2Low76Confident63 Ų6386.9 Ų86.965%0.64946%0.464SS*.  trans7925.1173.800000113.9
190W80.3Confident75.7Confident40 Ų4085.9 Ų85.915%0.15246%0.459CS..  trans-62.9146.3-179.3-51-70000112.1P186 P187 L201 V210 L241 M279P186-W190 PolarHBondContact O-NE1 3.26Å; P187-W190 VanDerWaalsContact O-CH2 3.22Å; P187-W190 WeakPolarHBondContact O-CH2 3.42Å; P187-W190 WeakPolarHBondContact O-CZ2 3.17Å; W190-L201 HydrophobicContact CB-CD1 3.5Å; W190-L201 WeakPolarHBondContact O-CD1 2.88Å; W190-V210 HydrophobicContact CB-CG1 4.24Å; W190-L241 HydrophobicContact CB-CD1 4.09Å; W190-L241 HydrophobicContact CD2-CB 4.25Å; W190-L241 HydrophobicContact CD2-CD1 3.83Å; W190-L241 HydrophobicContact CD2-CD2 4.49Å; W190-L241 HydrophobicContact CD2-CG 4.42Å; W190-L241 HydrophobicContact CE3-CB 3.99Å; W190-L241 HydrophobicContact CE3-CD1 4.3Å; W190-L241 HydrophobicContact CG-CD1 3.71Å; W190-L241 HydrophobicContact CH2-CB 4.36Å; W190-L241 HydrophobicContact CZ2-CD2 4.23Å; W190-L241 HydrophobicContact CZ3-CB 4.05Å; W190-M279 HydrophobicContact CZ2-CE 4.47Å
191K84.1Confident76.3Confident85 Ų8578.8 Ų78.837%0.3742%0.421SS..  trans-134.6141.3173.6-172.9-177.2-178.8-178.90107.4Q193 C195 E196K191-Q193 PolarHBondContact O-N 3.47Å; K191-C195 WeakPolarHBondContact CE-O 3.05Å; K191-E196 VanDerWaalsContact CE-CA 3.47Å; K191-E196 IonicContact NZ-OE1 2.67Å; K191-E196 PolarHBondContact NZ-OE1 3.07Å
192C85.7Confident77.1Confident4 Ų476.3 Ų76.33%0.02741%0.405CS..  trans-56.6132.3172.1178.80000110.1K194 C195 M197 L201 C212C192-K194 VanDerWaalsContact C-N 3.29Å; C192-K194 PolarHBondContact O-N 3.35Å; C192-C195 VanDerWaalsContact CB-SG 3.56Å; C192-C195 PolarHBondContact O-N 3.23Å; C192-C195 PolarHBondContact SG-SG 3.34Å; C192-M197 HydrophobicContact CB-CB 4.44Å; C192-M197 PolarHBondContact N-O 2.88Å; C192-L201 HydrophobicContact CB-CD2 3.78Å; C192-C212 HydrophobicContact CB-CB 4.23Å; C192-C212 PolarHBondContact SG-N 2.87Å; C192-C212 VanDerWaalsContact SG-N 3.41Å
193Q87.3Confident78.3Confident133 Ų13372.7 Ų72.762%0.62137%0.368SS*.SBendtrans-67.3-29.6-179.7-68.4178.32.900113.1K191 V210 L211K191-Q193 PolarHBondContact O-N 3.47Å; Q193-V210 PolarHBondContact N-O 2.84Å; Q193-L211 HydrophobicContact CB-CD2 4.09Å
194K84.7Confident79.1Confident88 Ų8870.3 Ų70.338%0.38335%0.353SS..SBendtrans-91.6-15.4178.5-66.6-167.9-177.6-1710115C192 L211 H225 E228 E232C192-K194 VanDerWaalsContact C-N 3.29Å; C192-K194 PolarHBondContact O-N 3.35Å; K194-L211 HydrophobicContact CB-CD2 4.49Å; K194-L211 HydrophobicContact CG-CD2 4.04Å; K194-H225 HydrophobicContact CB-CB 4.32Å; K194-H225 HydrophobicContact CD-CB 4.23Å; K194-E228 IonicContact NZ-OE2 3.73Å; K194-E228 PolarHBondContact NZ-OE2 3.44Å; K194-E232 IonicContact NZ-OE1 2.89Å; K194-E232 IonicContact NZ-OE2 3.12Å; K194-E232 PolarHBondContact NZ-OE2 3.28Å; K194-E232 VanDerWaalsContact NZ-OE2 3.16Å
195C85.1Confident79.7Confident24 Ų2462.1 Ų62.116%0.16232%0.322CS..SBendtrans-152.1-173.6-175.776.80000114K191 C192K191-C195 WeakPolarHBondContact CE-O 3.05Å; C192-C195 VanDerWaalsContact CB-SG 3.56Å; C192-C195 PolarHBondContact O-N 3.23Å; C192-C195 PolarHBondContact SG-SG 3.34Å
196E81.6Confident80.3Confident153 Ų15361.8 Ų61.872%0.71532%0.32SS*.SBendtrans-89.91.6-173.6-57.4-12911300115.7K191K191-E196 VanDerWaalsContact CE-CA 3.47Å; K191-E196 IonicContact NZ-OE1 2.67Å; K191-E196 PolarHBondContact NZ-OE1 3.07Å
197M75.8Confident81.1Confident49 Ų4959.5 Ų59.524%0.24130%0.304CS..  trans-67.6141.7-178.1-69-160.8-157.800113.3C192 C212 N223C192-M197 HydrophobicContact CB-CB 4.44Å; C192-M197 PolarHBondContact N-O 2.88Å; M197-C212 HydrophobicContact CB-CB 4.17Å; M197-C212 HydrophobicContact CG-CB 4.48Å; M197-C212 HydrophobicContact SD-CB 3.82Å; M197-N223 HydrophobicContact CE-CB 4.06Å; M197-N223 WeakPolarHBondContact CE-OD1 3.24Å
198R76.3Confident82.5Confident167 Ų16755 Ų5563%0.6328%0.276SS*.  trans-117.2-6.9177.9-65.3176.8176.3-954.8113.2
199E72.3Confident83.7Confident156 Ų15651.7 Ų51.773%0.72925%0.252SS*.SBendtrans-121.2154.7-177.3-62.9-178.917900109.7
200N80.1Confident84.7Confident42 Ų4249 Ų4923%0.22522%0.224CC..SBendtrans58.150.6-179.2-161.5-3.5000112.5W202 C212 G213N200-W202 PolarHBondContact OD1-NE1 3.49Å; N200-C212 WeakPolarHBondContact O-CA 3.47Å; N200-G213 PolarHBondContact O-N 3.47Å
201L84.9Confident85.2Confident0 Ų047.3 Ų47.30%022%0.217CC..EExtended strand (participates in β ladder)trans-98.6136.3-178.5-61.6177.8000111.7W190 C192 V210 C212 L241W190-L201 HydrophobicContact CB-CD1 3.5Å; W190-L201 WeakPolarHBondContact O-CD1 2.88Å; C192-L201 HydrophobicContact CB-CD2 3.78Å; L201-V210 HydrophobicContact CB-CG1 4.1Å; L201-V210 HydrophobicContact CD1-CG1 4.2Å; L201-C212 HydrophobicContact CD2-CB 4.09Å; L201-L241 HydrophobicContact CB-CD1 4.03Å; L201-L241 PolarHBondContact O-N 3.07Å
202W89.2Confident85.4Confident40 Ų4043.2 Ų43.215%0.15220%0.199CC..EExtended strand (participates in β ladder)trans-116.5127.6-177.4-6478.7000108.9N200 V210 L211 A226 A238 V239 K240 Y252N200-W202 PolarHBondContact OD1-NE1 3.49Å; W202-V210 WeakPolarHBondContact O-CA 3.32Å; W202-L211 PolarHBondContact N-O 2.8Å; W202-L211 PolarHBondContact O-N 3.22Å; W202-A226 HydrophobicContact CB-CB 4.08Å; W202-A226 HydrophobicContact CG-CB 4.47Å; W202-A238 HydrophobicContact CB-CB 4.27Å; W202-A238 HydrophobicContact CE3-CB 4.32Å; W202-V239 CarbonylContact C-O 3.55Å; W202-V239 WeakPolarHBondContact CA-O 3.48Å; W202-K240 HydrophobicContact CD2-CB 4.24Å; W202-K240 HydrophobicContact CE3-CB 3.97Å; W202-K240 HydrophobicContact CH2-CB 3.99Å; W202-K240 HydrophobicContact CH2-CD 4.23Å; W202-K240 HydrophobicContact CZ2-CB 4.25Å; W202-K240 HydrophobicContact CZ2-CD 3.94Å; W202-K240 HydrophobicContact CZ2-CG 4.32Å; W202-K240 HydrophobicContact CZ3-CB 3.82Å; W202-Y252 HydrophobicContact CZ3-CG 4.37Å
203L90.9Very high85.2Confident0 Ų043.2 Ų43.20%020%0.2CC..EExtended strand (participates in β ladder)trans-97.2119.5174.5171.169000108.8I185 L205 S209 V210 A238 V239 L241 L269 I274I185-L203 HydrophobicContact CD1-CD1 3.83Å; I185-L203 HydrophobicContact CG1-CD1 3.78Å; I185-L203 HydrophobicContact CG1-CD2 4.33Å; L203-L205 PolarHBondContact O-N 2.89Å; L203-S209 WeakPolarHBondContact CA-O 3.39Å; L203-V210 HydrophobicContact CD1-CG2 3.84Å; L203-A238 CarbonylContact O-C 3.6Å; L203-A238 WeakPolarHBondContact O-CA 3.45Å; L203-A238 WeakPolarHBondContact O-CB 3.5Å; L203-V239 HydrophobicContact CB-CG1 3.83Å; L203-V239 HydrophobicContact CD2-CG1 4.08Å; L203-V239 HydrophobicContact CG-CG1 4.22Å; L203-V239 PolarHBondContact N-O 3.44Å; L203-V239 PolarHBondContact O-N 3.19Å; L203-L241 HydrophobicContact CB-CD1 4.31Å; L203-L241 HydrophobicContact CB-CD2 3.8Å; L203-L241 HydrophobicContact CB-CG 3.95Å; L203-L241 HydrophobicContact CD2-CD2 4.07Å; L203-L269 HydrophobicContact CD2-CD2 4.37Å; L203-I274 HydrophobicContact CD2-CD1 3.68Å
204N91.5Very high84.7Confident5 Ų543.2 Ų43.23%0.02720%0.198CC..EExtended strand (participates in β ladder)trans-74.5126.8174.1-168.8-67.6000110.4T206 D207 G208 S209 Y235N204-T206 PolarHBondContact O-N 2.91Å; N204-T206 VanDerWaalsContact OD1-CB 3.25Å; N204-T206 WeakPolarHBondContact OD1-CB 3.42Å; N204-T206 PolarHBondContact OD1-N 2.96Å; N204-T206 PolarHBondContact OD1-OG1 3.33Å; N204-D207 WeakPolarHBondContact CB-OD1 3.21Å; N204-G208 WeakPolarHBondContact O-CA 3.44Å; N204-G208 PolarHBondContact O-N 2.67Å; N204-G208 VanDerWaalsContact O-N 3.09Å; N204-S209 VanDerWaalsContact CB-OG 3.29Å; N204-S209 WeakPolarHBondContact CB-OG 3.19Å; N204-S209 PolarHBondContact N-O 3.24Å; N204-Y235 WeakPolarHBondContact ND2-CB 3.37Å; N204-Y235 PolarHBondContact ND2-O 2.7Å; N204-Y235 WeakPolarHBondContact OD1-CB 3.43Å
205L88.5Confident83.4Confident0 Ų046 Ų460%021%0.206CC..THydrogen-bonded Turntrans-76.1-6.6-174.5-66.2177.1000113.5L176 Q178 L203 L237 V239 M265 H268 L269 F272L176-L205 HydrophobicContact CD2-CB 3.58Å; L176-L205 HydrophobicContact CD2-CD1 4.41Å; Q178-L205 WeakPolarHBondContact CG-O 3.43Å; Q178-L205 PolarHBondContact NE2-O 3.34Å; L203-L205 PolarHBondContact O-N 2.89Å; L205-L237 HydrophobicContact CB-CB 4.4Å; L205-L237 HydrophobicContact CD1-CB 4.07Å; L205-L237 PolarHBondContact N-O 2.94Å; L205-V239 HydrophobicContact CD2-CB 4.31Å; L205-V239 HydrophobicContact CD2-CG1 3.76Å; L205-V239 HydrophobicContact CG-CG1 4.36Å; L205-M265 HydrophobicContact CD1-CE 3.96Å; L205-H268 HydrophobicContact CD2-CB 4.33Å; L205-L269 HydrophobicContact CD2-CD2 4.01Å; L205-F272 VanDerWaalsContact O-CE2 3.25Å; L205-F272 WeakPolarHBondContact O-CE2 3.23Å; L205-F272 WeakPolarHBondContact O-CZ 3.24Å
206T88.2Confident82.1Confident8 Ų849.7 Ų49.75%0.04922%0.22CC..THydrogen-bonded Turntrans-90.6-47.7179.6-56.70000112.4R177 L179 N204 Y235R177-T206 WeakPolarHBondContact O-CG2 3.31Å; L179-T206 HydrophobicContact CD1-CG2 4.49Å; L179-T206 HydrophobicContact CG-CG2 4.25Å; L179-T206 PolarHBondContact N-O 2.72Å; N204-T206 PolarHBondContact O-N 2.91Å; N204-T206 VanDerWaalsContact OD1-CB 3.25Å; N204-T206 WeakPolarHBondContact OD1-CB 3.42Å; N204-T206 PolarHBondContact OD1-N 2.96Å; N204-T206 PolarHBondContact OD1-OG1 3.33Å; T206-Y235 HydrophobicContact CG2-CD1 3.45Å; T206-Y235 VanDerWaalsContact CG2-CD1 3.45Å; T206-Y235 HydrophobicContact CG2-CD2 3.86Å; T206-Y235 HydrophobicContact CG2-CE1 3.69Å; T206-Y235 HydrophobicContact CG2-CE2 4.09Å; T206-Y235 HydrophobicContact CG2-CG 3.56Å
207D87.2Confident79.9Confident21 Ų2151.6 Ų51.611%0.11223%0.226CC..THydrogen-bonded Turntrans-119.9-9.4-170.869-7.3000115L179 N204 S209 H229 Y235L179-D207 HydrophobicContact CD1-CB 4.21Å; N204-D207 WeakPolarHBondContact CB-OD1 3.21Å; D207-S209 WeakPolarHBondContact OD1-CB 2.99Å; D207-S209 PolarHBondContact OD1-N 2.76Å; D207-S209 PolarHBondContact OD1-OG 2.83Å; D207-S209 PolarHBondContact OD2-OG 2.81Å; D207-H229 IonicContact OD1-NE2 2.69Å; D207-H229 IonicContact OD2-CD2 3.65Å; D207-H229 IonicContact OD2-CE1 3.55Å; D207-H229 PolarHBondContact OD2-CE1 2.88Å; D207-H229 IonicContact OD2-NE2 2.87Å; D207-H229 PolarHBondContact OD2-NE2 3.12Å; D207-Y235 HydrophobicContact CB-CD2 3.95Å; D207-Y235 HydrophobicContact CB-CE2 3.58Å; D207-Y235 WeakPolarHBondContact OD2-CE2 3.3Å
208G86.9Confident78.4Confident1 Ų155 Ų551%0.0125%0.245CC..  trans78.819.3-179.300000114.2I185 N204 F272I185-G208 WeakPolarHBondContact CD1-O 3.06Å; N204-G208 WeakPolarHBondContact O-CA 3.44Å; N204-G208 PolarHBondContact O-N 2.67Å; N204-G208 VanDerWaalsContact O-N 3.09Å; G208-F272 VanDerWaalsContact N-CE1 3.31Å
209S89.5Confident77Confident6 Ų650.1 Ų50.14%0.04225%0.247CC..  trans-71.6138.2174.555.80000111.9L203 N204 D207 H229L203-S209 WeakPolarHBondContact CA-O 3.39Å; N204-S209 VanDerWaalsContact CB-OG 3.29Å; N204-S209 WeakPolarHBondContact CB-OG 3.19Å; N204-S209 PolarHBondContact N-O 3.24Å; D207-S209 WeakPolarHBondContact OD1-CB 2.99Å; D207-S209 PolarHBondContact OD1-N 2.76Å; D207-S209 PolarHBondContact OD1-OG 2.83Å; D207-S209 PolarHBondContact OD2-OG 2.81Å; S209-H229 PolarHBondContact OG-CD2 3.49Å; S209-H229 PolarHBondContact OG-NE2 2.9Å
210V89.6Confident76.1Confident8 Ų845.6 Ų45.65%0.04823%0.232CC..EExtended strand (participates in β ladder)trans-113.3114.2178.6179.10000110.3I185 W190 Q193 L201 W202 L203 L241I185-V210 HydrophobicContact CD1-CG2 3.92Å; W190-V210 HydrophobicContact CB-CG1 4.24Å; Q193-V210 PolarHBondContact N-O 2.84Å; L201-V210 HydrophobicContact CB-CG1 4.1Å; L201-V210 HydrophobicContact CD1-CG1 4.2Å; W202-V210 WeakPolarHBondContact O-CA 3.32Å; L203-V210 HydrophobicContact CD1-CG2 3.84Å; V210-L241 HydrophobicContact CG1-CD1 3.6Å; V210-L241 HydrophobicContact CG2-CD1 4.16Å
211L90.3Very high75.4Confident3 Ų345.2 Ų45.22%0.01624%0.238CC..EExtended strand (participates in β ladder)trans-140.8152.2-167.5-61170.1000111.9Q193 K194 W202 H225 A226 H229Q193-L211 HydrophobicContact CB-CD2 4.09Å; K194-L211 HydrophobicContact CB-CD2 4.49Å; K194-L211 HydrophobicContact CG-CD2 4.04Å; W202-L211 PolarHBondContact N-O 2.8Å; W202-L211 PolarHBondContact O-N 3.22Å; L211-H225 HydrophobicContact CB-CB 4.16Å; L211-H225 HydrophobicContact CD2-CB 4.21Å; L211-A226 HydrophobicContact CB-CB 3.98Å; L211-H229 HydrophobicContact CD1-CB 3.16Å
212C88.1Confident74.7Confident0 Ų045.2 Ų45.20%024%0.238CC..EExtended strand (participates in β ladder)trans-80.3149.9-179.362.20000113.2C192 M197 N200 L201 N223 H225 A226C192-C212 HydrophobicContact CB-CB 4.23Å; C192-C212 PolarHBondContact SG-N 2.87Å; C192-C212 VanDerWaalsContact SG-N 3.41Å; M197-C212 HydrophobicContact CB-CB 4.17Å; M197-C212 HydrophobicContact CG-CB 4.48Å; M197-C212 HydrophobicContact SD-CB 3.82Å; N200-C212 WeakPolarHBondContact O-CA 3.47Å; L201-C212 HydrophobicContact CD2-CB 4.09Å; C212-N223 PolarHBondContact SG-N 3.14Å; C212-H225 PolarHBondContact O-N 3.27Å; C212-H225 PolarHBondContact SG-ND1 3.47Å; C212-A226 PolarHBondContact O-N 3.06Å
213G81.9Confident74.3Confident4 Ų447.5 Ų47.54%0.04125%0.254CS..  trans-68.8-174.4-177.600000114.7N200 G222 N223 G224N200-G213 PolarHBondContact O-N 3.47Å; G213-G222 CarbonylContact O-C 3.59Å; G213-G222 WeakPolarHBondContact O-CA 3.34Å; G213-N223 PolarHBondContact O-N 2.94Å; G213-G224 VanDerWaalsContact O-CA 3.28Å; G213-G224 WeakPolarHBondContact O-CA 3.42Å; G213-G224 PolarHBondContact O-N 3.39Å
214K75.7Confident73.9Confident132 Ų13248.3 Ų48.357%0.57426%0.262SS*.  trans-67.9150-175.3-169.3177177.4-179.10113G222K214-G222 CarbonylContact C-O 3.59Å; K214-G222 VanDerWaalsContact C-O 3.29Å; K214-G222 PolarHBondContact O-N 2.7Å
215W57.1Low73.7Confident148 Ų14849.5 Ų49.556%0.56127%0.267SS*.BIsolated β-bridgetrans-82.5131.9172.1-176.377.6000111F217 G222W215-F217 HydrophobicContact CH2-CB 4.44Å; W215-F217 AromaticContact CH2-CD2 3.99Å; W215-F217 HydrophobicContact CH2-CD2 3.99Å; W215-F217 HydrophobicContact CZ3-CB 4.45Å; W215-F217 HydrophobicContact CZ3-CD2 4.34Å; W215-G222 WeakPolarHBondContact CA-O 3.33Å; W215-G222 WeakPolarHBondContact CB-O 3.48Å; W215-G222 PolarHBondContact N-O 3.37Å
216F59.2Low73.6Confident100 Ų10049.8 Ų49.844%0.43927%0.269SS..  trans-108.2149172.6-55.7-78.8000110.8D218 G219 S220F216-D218 VanDerWaalsContact CB-OD1 3.28Å; F216-D218 WeakPolarHBondContact CB-OD1 3.41Å; F216-D218 PolarHBondContact O-N 2.75Å; F216-G219 PolarHBondContact O-N 3.43Å; F216-S220 VanDerWaalsContact CB-O 3.3Å; F216-S220 WeakPolarHBondContact CB-O 3.24Å; F216-S220 WeakPolarHBondContact CD2-O 3.4Å; F216-S220 PolarHBondContact N-O 3.09Å; F216-S220 VanDerWaalsContact N-O 3.15Å
217F35.7Very low73.5Confident194 Ų19451.8 Ų51.885%0.85128%0.28SS*.THydrogen-bonded Turntrans-67.5-14.5-175.1-174.4-97.6000113.5W215 G219W215-F217 HydrophobicContact CH2-CB 4.44Å; W215-F217 AromaticContact CH2-CD2 3.99Å; W215-F217 HydrophobicContact CH2-CD2 3.99Å; W215-F217 HydrophobicContact CZ3-CB 4.45Å; W215-F217 HydrophobicContact CZ3-CD2 4.34Å; F217-G219 VanDerWaalsContact C-N 3.28Å; F217-G219 PolarHBondContact O-N 2.91Å
218D42.3Very low73.4Confident120 Ų12054.9 Ų54.964%0.64229%0.293SS*.THydrogen-bonded Turntrans-83.41.2177.764.22000113.6F216 S220F216-D218 VanDerWaalsContact CB-OD1 3.28Å; F216-D218 WeakPolarHBondContact CB-OD1 3.41Å; F216-D218 PolarHBondContact O-N 2.75Å; D218-S220 VanDerWaalsContact C-N 3.27Å; D218-S220 PolarHBondContact O-N 2.81Å; D218-S220 WeakPolarHBondContact OD1-CB 3.35Å; D218-S220 PolarHBondContact OD1-N 3.11Å; D218-S220 PolarHBondContact OD1-OG 3.49Å; D218-S220 PolarHBondContact OD2-OG 3.23Å; D218-S220 VanDerWaalsContact OD2-OG 3.08Å
219G48.4Very low73.5Confident65 Ų6556 Ų5667%0.6730%0.298SS*.SBendtrans82.9-2-177.600000114.3F216 F217F216-G219 PolarHBondContact O-N 3.43Å; F217-G219 VanDerWaalsContact C-N 3.28Å; F217-G219 PolarHBondContact O-N 2.91Å
220S52.5Low73.5Confident60 Ų6057.9 Ų57.942%0.4231%0.305SS..  trans-88.3154169.878.30000110.9F216 D218F216-S220 VanDerWaalsContact CB-O 3.3Å; F216-S220 WeakPolarHBondContact CB-O 3.24Å; F216-S220 WeakPolarHBondContact CD2-O 3.4Å; F216-S220 PolarHBondContact N-O 3.09Å; F216-S220 VanDerWaalsContact N-O 3.15Å; D218-S220 VanDerWaalsContact C-N 3.27Å; D218-S220 PolarHBondContact O-N 2.81Å; D218-S220 WeakPolarHBondContact OD1-CB 3.35Å; D218-S220 PolarHBondContact OD1-N 3.11Å; D218-S220 PolarHBondContact OD1-OG 3.49Å; D218-S220 PolarHBondContact OD2-OG 3.23Å; D218-S220 VanDerWaalsContact OD2-OG 3.08Å
221G64.9Low73.4Confident34 Ų3466.4 Ų66.435%0.35134%0.336SS..BIsolated β-bridgetrans109.9-171.417700000116
222G71.8Confident73.3Confident0 Ų072.1 Ų72.10%036%0.363CS..  trans-99-175.3178.600000113.4G213 K214 W215 G224G213-G222 CarbonylContact O-C 3.59Å; G213-G222 WeakPolarHBondContact O-CA 3.34Å; K214-G222 CarbonylContact C-O 3.59Å; K214-G222 VanDerWaalsContact C-O 3.29Å; K214-G222 PolarHBondContact O-N 2.7Å; W215-G222 WeakPolarHBondContact CA-O 3.33Å; W215-G222 WeakPolarHBondContact CB-O 3.48Å; W215-G222 PolarHBondContact N-O 3.37Å; G222-G224 VanDerWaalsContact C-N 3.34Å
223N80.9Confident73.2Confident89 Ų8974 Ų7448%0.47637%0.374SS..  trans-88.55.9179-72.8-20.6000114M197 C212 G213 H225M197-N223 HydrophobicContact CE-CB 4.06Å; M197-N223 WeakPolarHBondContact CE-OD1 3.24Å; C212-N223 PolarHBondContact SG-N 3.14Å; G213-N223 PolarHBondContact O-N 2.94Å; N223-H225 VanDerWaalsContact CB-CE1 3.5Å; N223-H225 WeakPolarHBondContact CB-CE1 3.35Å
224G82.4Confident73.5Confident16 Ų1678 Ų7817%0.16540%0.402CS..SBendtrans78.312.9179.200000115.3G213 G222 A226 L227 E228G213-G224 VanDerWaalsContact O-CA 3.28Å; G213-G224 WeakPolarHBondContact O-CA 3.42Å; G213-G224 PolarHBondContact O-N 3.39Å; G222-G224 VanDerWaalsContact C-N 3.34Å; G224-A226 VanDerWaalsContact C-N 3.29Å; G224-A226 PolarHBondContact O-N 3.4Å; G224-L227 PolarHBondContact O-N 3.3Å; G224-L227 VanDerWaalsContact O-N 3.15Å; G224-E228 PolarHBondContact O-N 2.96Å; G224-E228 VanDerWaalsContact O-N 3.08Å
225H86.9Confident74.2Confident31 Ų3174.6 Ų74.614%0.14439%0.385CS..Hα-helixtrans-63.9-31.6-176.4-66.9127000113.5K194 L211 C212 N223 L227 E228 H229K194-H225 HydrophobicContact CB-CB 4.32Å; K194-H225 HydrophobicContact CD-CB 4.23Å; L211-H225 HydrophobicContact CB-CB 4.16Å; L211-H225 HydrophobicContact CD2-CB 4.21Å; C212-H225 PolarHBondContact O-N 3.27Å; C212-H225 PolarHBondContact SG-ND1 3.47Å; N223-H225 VanDerWaalsContact CB-CE1 3.5Å; N223-H225 WeakPolarHBondContact CB-CE1 3.35Å; H225-L227 VanDerWaalsContact C-N 3.32Å; H225-L227 PolarHBondContact O-N 3.2Å; H225-E228 IonicContact CD2-OE2 2.68Å; H225-E228 PolarHBondContact O-N 3.45Å; H225-H229 WeakPolarHBondContact O-CB 3.4Å; H225-H229 PolarHBondContact O-N 2.92Å
226A85.4Confident75.7Confident6 Ų668.2 Ų68.25%0.0536%0.363CS..Hα-helixtrans-64.2-38.2176.100000112.1W202 L211 C212 G224 Y230 F254W202-A226 HydrophobicContact CB-CB 4.08Å; W202-A226 HydrophobicContact CG-CB 4.47Å; L211-A226 HydrophobicContact CB-CB 3.98Å; C212-A226 PolarHBondContact O-N 3.06Å; G224-A226 VanDerWaalsContact C-N 3.29Å; G224-A226 PolarHBondContact O-N 3.4Å; A226-Y230 PolarHBondContact O-N 3.27Å; A226-Y230 VanDerWaalsContact O-N 3.12Å; A226-F254 HydrophobicContact CB-CE1 4.48Å; A226-F254 HydrophobicContact CB-CZ 3.83Å
227L86.3Confident77.1Confident50 Ų5063.5 Ų63.526%0.26234%0.342SS..Hα-helixtrans-72.4-38.2176.3-177.766.2000111.9G224 H225 H229 Y230 R231 F254G224-L227 PolarHBondContact O-N 3.3Å; G224-L227 VanDerWaalsContact O-N 3.15Å; H225-L227 VanDerWaalsContact C-N 3.32Å; H225-L227 PolarHBondContact O-N 3.2Å; L227-H229 VanDerWaalsContact C-N 3.35Å; L227-Y230 HydrophobicContact CD1-CD1 4.36Å; L227-Y230 PolarHBondContact O-N 3.43Å; L227-R231 WeakPolarHBondContact O-CG 3.5Å; L227-R231 PolarHBondContact O-N 2.7Å; L227-F254 HydrophobicContact CB-CE1 4.33Å; L227-F254 HydrophobicContact CD1-CD1 3.77Å; L227-F254 HydrophobicContact CD1-CE1 4.28Å
228E86.7Confident79.8Confident86 Ų8654.3 Ų54.340%0.40230%0.303SS..Hα-helixtrans-63-43.1174.8-171.1-176.2-136.300111.4K194 G224 H225 Y230 R231 E232K194-E228 IonicContact NZ-OE2 3.73Å; K194-E228 PolarHBondContact NZ-OE2 3.44Å; G224-E228 PolarHBondContact O-N 2.96Å; G224-E228 VanDerWaalsContact O-N 3.08Å; H225-E228 IonicContact CD2-OE2 2.68Å; H225-E228 PolarHBondContact O-N 3.45Å; E228-Y230 VanDerWaalsContact C-N 3.34Å; E228-Y230 PolarHBondContact O-N 3.5Å; E228-R231 WeakPolarHBondContact O-CB 3.44Å; E228-R231 PolarHBondContact O-N 3.04Å; E228-R231 VanDerWaalsContact O-N 3.08Å; E228-E232 WeakPolarHBondContact O-CG 3.49Å; E228-E232 PolarHBondContact O-N 2.66Å
229H88.8Confident82Confident23 Ų2348.6 Ų48.611%0.10627%0.272CS..Hα-helixtrans-62.5-40.2175.9-175.280.6000112.6D207 S209 L211 H225 L227 R231 E232 T233 Y235D207-H229 IonicContact OD1-NE2 2.69Å; D207-H229 IonicContact OD2-CD2 3.65Å; D207-H229 IonicContact OD2-CE1 3.55Å; D207-H229 PolarHBondContact OD2-CE1 2.88Å; D207-H229 IonicContact OD2-NE2 2.87Å; D207-H229 PolarHBondContact OD2-NE2 3.12Å; S209-H229 PolarHBondContact OG-CD2 3.49Å; S209-H229 PolarHBondContact OG-NE2 2.9Å; L211-H229 HydrophobicContact CD1-CB 3.16Å; H225-H229 WeakPolarHBondContact O-CB 3.4Å; H225-H229 PolarHBondContact O-N 2.92Å; L227-H229 VanDerWaalsContact C-N 3.35Å; H229-R231 VanDerWaalsContact C-N 3.34Å; H229-R231 PolarHBondContact O-N 2.86Å; H229-E232 PolarHBondContact O-N 2.73Å; H229-T233 WeakPolarHBondContact O-CB 3.47Å; H229-T233 PolarHBondContact O-N 2.92Å; H229-T233 PolarHBondContact O-OG1 3.11Å; H229-Y235 AromaticContact NE2-CD2 3.98Å
230Y88.6Confident83.8Confident46 Ų4648.3 Ų48.318%0.1825%0.252CS..Hα-helixtrans-59.2-43170.6167.6-111.8000112.1A226 L227 E228 E232 T233 S234 Y235 F254 E255A226-Y230 PolarHBondContact O-N 3.27Å; A226-Y230 VanDerWaalsContact O-N 3.12Å; L227-Y230 HydrophobicContact CD1-CD1 4.36Å; L227-Y230 PolarHBondContact O-N 3.43Å; E228-Y230 VanDerWaalsContact C-N 3.34Å; E228-Y230 PolarHBondContact O-N 3.5Å; Y230-E232 PolarHBondContact O-N 2.8Å; Y230-T233 PolarHBondContact O-N 2.71Å; Y230-S234 VanDerWaalsContact O-CA 3.24Å; Y230-S234 WeakPolarHBondContact O-CA 3.3Å; Y230-S234 PolarHBondContact O-N 3.1Å; Y230-Y235 VanDerWaalsContact CD2-O 3.27Å; Y230-Y235 WeakPolarHBondContact CD2-O 3.4Å; Y230-F254 HydrophobicContact CD1-CB 3.41Å; Y230-F254 VanDerWaalsContact CD1-CB 3.41Å; Y230-F254 HydrophobicContact CD1-CG 4.12Å; Y230-F254 HydrophobicContact CD2-CB 3.65Å; Y230-F254 HydrophobicContact CD2-CD2 4.44Å; Y230-F254 HydrophobicContact CD2-CG 4.32Å; Y230-F254 HydrophobicContact CE1-CB 3.64Å; Y230-F254 WeakPolarHBondContact CE1-O 3.35Å; Y230-F254 HydrophobicContact CE2-CB 3.88Å; Y230-F254 HydrophobicContact CG-CB 3.38Å; Y230-F254 HydrophobicContact CG-CD2 4.21Å; Y230-F254 AromaticContact CG-CG 3.84Å; Y230-F254 HydrophobicContact CG-CG 3.84Å; Y230-E255 WeakPolarHBondContact OH-CA 3.37Å
231R88.2Confident85.1Confident188 Ų18845.6 Ų45.671%0.70923%0.233SC*.Hα-helixtrans-63.2-29.9177.3-71.2174.1176.6174-0.7113.2L227 E228 H229L227-R231 WeakPolarHBondContact O-CG 3.5Å; L227-R231 PolarHBondContact O-N 2.7Å; E228-R231 WeakPolarHBondContact O-CB 3.44Å; E228-R231 PolarHBondContact O-N 3.04Å; E228-R231 VanDerWaalsContact O-N 3.08Å; H229-R231 VanDerWaalsContact C-N 3.34Å; H229-R231 PolarHBondContact O-N 2.86Å
232E88.7Confident85.5Confident123 Ų12348.4 Ų48.458%0.57524%0.24SC*.Hα-helixtrans-82.5-35.7179.5-70.2171.4166.800112.6K194 E228 H229 Y230K194-E232 IonicContact NZ-OE1 2.89Å; K194-E232 IonicContact NZ-OE2 3.12Å; K194-E232 PolarHBondContact NZ-OE2 3.28Å; K194-E232 VanDerWaalsContact NZ-OE2 3.16Å; E228-E232 WeakPolarHBondContact O-CG 3.49Å; E228-E232 PolarHBondContact O-N 2.66Å; H229-E232 PolarHBondContact O-N 2.73Å; Y230-E232 PolarHBondContact O-N 2.8Å
233T85Confident85.6Confident40 Ų4049.7 Ų49.725%0.24525%0.248CC..Hα-helixtrans-112.5-18.4-168.560.80000114.9H229 Y230 Y235H229-T233 WeakPolarHBondContact O-CB 3.47Å; H229-T233 PolarHBondContact O-N 2.92Å; H229-T233 PolarHBondContact O-OG1 3.11Å; Y230-T233 PolarHBondContact O-N 2.71Å; T233-Y235 VanDerWaalsContact C-N 3.27Å; T233-Y235 VanDerWaalsContact CB-CD2 3.48Å; T233-Y235 VanDerWaalsContact CB-CE2 3.47Å; T233-Y235 HydrophobicContact CG2-CD2 4.13Å; T233-Y235 HydrophobicContact CG2-CE2 3.82Å; T233-Y235 VanDerWaalsContact O-CD1 3.29Å; T233-Y235 WeakPolarHBondContact O-CD1 3.43Å; T233-Y235 VanDerWaalsContact O-CE1 3.31Å; T233-Y235 WeakPolarHBondContact O-CE1 3.49Å; T233-Y235 PolarHBondContact O-N 3.11Å; T233-Y235 VanDerWaalsContact OG1-CD2 3.26Å; T233-Y235 WeakPolarHBondContact OG1-CD2 3.38Å
234S87.9Confident85.3Confident88 Ų8846.3 Ų46.362%0.61523%0.23SC*.  trans57.333.1-172-55.80000114.2Y230 P236Y230-S234 VanDerWaalsContact O-CA 3.24Å; Y230-S234 WeakPolarHBondContact O-CA 3.3Å; Y230-S234 PolarHBondContact O-N 3.1Å; S234-P236 WeakPolarHBondContact O-CD 3.49Å
235Y91.2Very high84.7Confident59 Ų5948.6 Ų48.623%0.23124%0.24CC..  trans-88.7110.4177.6-61.9-19.3000112.1L179 N204 T206 D207 H229 Y230 T233L179-Y235 HydrophobicContact CD1-CE2 4.42Å; L179-Y235 WeakPolarHBondContact CD1-OH 3.43Å; N204-Y235 WeakPolarHBondContact ND2-CB 3.37Å; N204-Y235 PolarHBondContact ND2-O 2.7Å; N204-Y235 WeakPolarHBondContact OD1-CB 3.43Å; T206-Y235 HydrophobicContact CG2-CD1 3.45Å; T206-Y235 VanDerWaalsContact CG2-CD1 3.45Å; T206-Y235 HydrophobicContact CG2-CD2 3.86Å; T206-Y235 HydrophobicContact CG2-CE1 3.69Å; T206-Y235 HydrophobicContact CG2-CE2 4.09Å; T206-Y235 HydrophobicContact CG2-CG 3.56Å; D207-Y235 HydrophobicContact CB-CD2 3.95Å; D207-Y235 HydrophobicContact CB-CE2 3.58Å; D207-Y235 WeakPolarHBondContact OD2-CE2 3.3Å; H229-Y235 AromaticContact NE2-CD2 3.98Å; Y230-Y235 VanDerWaalsContact CD2-O 3.27Å; Y230-Y235 WeakPolarHBondContact CD2-O 3.4Å; T233-Y235 VanDerWaalsContact C-N 3.27Å; T233-Y235 VanDerWaalsContact CB-CD2 3.48Å; T233-Y235 VanDerWaalsContact CB-CE2 3.47Å; T233-Y235 HydrophobicContact CG2-CD2 4.13Å; T233-Y235 HydrophobicContact CG2-CE2 3.82Å; T233-Y235 VanDerWaalsContact O-CD1 3.29Å; T233-Y235 WeakPolarHBondContact O-CD1 3.43Å; T233-Y235 VanDerWaalsContact O-CE1 3.31Å; T233-Y235 WeakPolarHBondContact O-CE1 3.49Å; T233-Y235 PolarHBondContact O-N 3.11Å; T233-Y235 VanDerWaalsContact OG1-CD2 3.26Å; T233-Y235 WeakPolarHBondContact OG1-CD2 3.38Å
236P87.6Confident83.5Confident15 Ų1549.4 Ų49.410%0.09725%0.249CC..  trans-77.8-30.2-15728.3-35.6000115H172 L176 S234 S253 F254 E255H172-P236 HydrophobicContact CB-CB 4.47Å; H172-P236 HydrophobicContact CB-CG 3.98Å; L176-P236 HydrophobicContact CD1-CG 4.15Å; S234-P236 WeakPolarHBondContact O-CD 3.49Å; P236-S253 CarbonylContact O-C 3.56Å; P236-S253 WeakPolarHBondContact O-CA 3.46Å; P236-F254 PolarHBondContact O-N 3.29Å; P236-E255 HydrophobicContact CB-CB 4.28Å
237L90Very high82.1Confident0 Ų057 Ų570%029%0.288CS..EExtended strand (participates in β ladder)trans-111.3133.1-170.1-63.3-178.8000112.8H172 L176 L205 V251 V260H172-L237 HydrophobicContact CB-CD1 4.02Å; H172-L237 HydrophobicContact CB-CG 4.15Å; L176-L237 HydrophobicContact CD1-CB 4.32Å; L176-L237 HydrophobicContact CD1-CD1 4.13Å; L176-L237 HydrophobicContact CD1-CG 4.3Å; L176-L237 HydrophobicContact CD2-CD1 4.22Å; L205-L237 HydrophobicContact CB-CB 4.4Å; L205-L237 HydrophobicContact CD1-CB 4.07Å; L205-L237 PolarHBondContact N-O 2.94Å; L237-V251 HydrophobicContact CD2-CG1 4.43Å; L237-V260 HydrophobicContact CD2-CG2 3.96Å
238A90.4Very high81.4Confident2 Ų255.9 Ų55.92%0.01729%0.289CS..EExtended strand (participates in β ladder)trans-134.4143.7167.300000112.1W202 L203 Y252 F254W202-A238 HydrophobicContact CB-CB 4.27Å; W202-A238 HydrophobicContact CE3-CB 4.32Å; L203-A238 CarbonylContact O-C 3.6Å; L203-A238 WeakPolarHBondContact O-CA 3.45Å; L203-A238 WeakPolarHBondContact O-CB 3.5Å; A238-Y252 PolarHBondContact N-O 3.19Å; A238-Y252 PolarHBondContact O-N 3.13Å; A238-F254 HydrophobicContact CB-CE2 3.57Å; A238-F254 HydrophobicContact CB-CZ 4.2Å
239V89.8Confident81Confident0 Ų052.9 Ų52.90%028%0.279CS..EExtended strand (participates in β ladder)trans-104.7141.8176.6620000109.9W202 L203 L205 I244 A249 D250 V251 M265 L269W202-V239 CarbonylContact C-O 3.55Å; W202-V239 WeakPolarHBondContact CA-O 3.48Å; L203-V239 HydrophobicContact CB-CG1 3.83Å; L203-V239 HydrophobicContact CD2-CG1 4.08Å; L203-V239 HydrophobicContact CG-CG1 4.22Å; L203-V239 PolarHBondContact N-O 3.44Å; L203-V239 PolarHBondContact O-N 3.19Å; L205-V239 HydrophobicContact CD2-CB 4.31Å; L205-V239 HydrophobicContact CD2-CG1 3.76Å; L205-V239 HydrophobicContact CG-CG1 4.36Å; V239-I244 HydrophobicContact CG2-CD1 4.32Å; V239-I244 HydrophobicContact CG2-CG1 3.98Å; V239-A249 HydrophobicContact CG2-CB 3.6Å; V239-D250 WeakPolarHBondContact CA-O 3.49Å; V239-V251 HydrophobicContact CB-CG2 4.27Å; V239-V251 HydrophobicContact CG2-CG2 4.14Å; V239-M265 HydrophobicContact CG2-SD 4.33Å; V239-L269 HydrophobicContact CG1-CD2 4.05Å
240K85.9Confident80.7Confident58 Ų5856.2 Ų56.225%0.25230%0.298SS..EExtended strand (participates in β ladder)trans-82.4118.8175.4-172.4174.3173.5-168.20110.1W202 D242 T243 D250W202-K240 HydrophobicContact CD2-CB 4.24Å; W202-K240 HydrophobicContact CE3-CB 3.97Å; W202-K240 HydrophobicContact CH2-CB 3.99Å; W202-K240 HydrophobicContact CH2-CD 4.23Å; W202-K240 HydrophobicContact CZ2-CB 4.25Å; W202-K240 HydrophobicContact CZ2-CD 3.94Å; W202-K240 HydrophobicContact CZ2-CG 4.32Å; W202-K240 HydrophobicContact CZ3-CB 3.82Å; K240-D242 VanDerWaalsContact C-N 3.29Å; K240-D242 PolarHBondContact O-N 3.35Å; K240-T243 HydrophobicContact CB-CG2 4.12Å; K240-T243 HydrophobicContact CD-CG2 3.72Å; K240-T243 HydrophobicContact CG-CG2 3.94Å; K240-T243 PolarHBondContact O-N 3.18Å; K240-T243 VanDerWaalsContact O-N 3.14Å; K240-T243 PolarHBondContact O-OG1 2.94Å; K240-D250 HydrophobicContact CB-CB 4.37Å; K240-D250 PolarHBondContact N-O 3.38Å
241L79.5Confident80.5Confident4 Ų454.4 Ų54.42%0.02129%0.291CS..G310 helixtrans-61.4-34.9-171-75.4167.7000113.3W190 L201 L203 V210 T243 I244W190-L241 HydrophobicContact CB-CD1 4.09Å; W190-L241 HydrophobicContact CD2-CB 4.25Å; W190-L241 HydrophobicContact CD2-CD1 3.83Å; W190-L241 HydrophobicContact CD2-CD2 4.49Å; W190-L241 HydrophobicContact CD2-CG 4.42Å; W190-L241 HydrophobicContact CE3-CB 3.99Å; W190-L241 HydrophobicContact CE3-CD1 4.3Å; W190-L241 HydrophobicContact CG-CD1 3.71Å; W190-L241 HydrophobicContact CH2-CB 4.36Å; W190-L241 HydrophobicContact CZ2-CD2 4.23Å; W190-L241 HydrophobicContact CZ3-CB 4.05Å; L201-L241 HydrophobicContact CB-CD1 4.03Å; L201-L241 PolarHBondContact O-N 3.07Å; L203-L241 HydrophobicContact CB-CD1 4.31Å; L203-L241 HydrophobicContact CB-CD2 3.8Å; L203-L241 HydrophobicContact CB-CG 3.95Å; L203-L241 HydrophobicContact CD2-CD2 4.07Å; V210-L241 HydrophobicContact CG1-CD1 3.6Å; V210-L241 HydrophobicContact CG2-CD1 4.16Å; L241-T243 PolarHBondContact O-N 3.34Å; L241-I244 HydrophobicContact CD2-CD1 4.07Å
242D72.9Confident80.5Confident93 Ų9348.9 Ų48.950%0.49727%0.271SS..G310 helixtrans-73.9-6.3-177.9-56.6-37.1000113.9K240K240-D242 VanDerWaalsContact C-N 3.29Å; K240-D242 PolarHBondContact O-N 3.35Å
243T75.1Confident80.4Confident27 Ų2743 Ų4317%0.16624%0.243CC..G310 helixtrans-1141.9-171.267.10000113.3K240 L241 T245 A249 D250K240-T243 HydrophobicContact CB-CG2 4.12Å; K240-T243 HydrophobicContact CD-CG2 3.72Å; K240-T243 HydrophobicContact CG-CG2 3.94Å; K240-T243 PolarHBondContact O-N 3.18Å; K240-T243 VanDerWaalsContact O-N 3.14Å; K240-T243 PolarHBondContact O-OG1 2.94Å; L241-T243 PolarHBondContact O-N 3.34Å; T243-T245 PolarHBondContact O-N 3.29Å; T243-A249 WeakPolarHBondContact O-CA 3.47Å; T243-D250 HydrophobicContact CG2-CB 4.14Å; T243-D250 WeakPolarHBondContact CG2-OD2 3.46Å; T243-D250 WeakPolarHBondContact OG1-CB 3.44Å; T243-D250 PolarHBondContact OG1-N 2.98Å
244I74.3Confident80.4Confident18 Ų1841.9 Ų41.99%0.09224%0.235CC..  trans-73.9112.6-178-58.4168.3000109.4V239 L241 A249 L269 M279V239-I244 HydrophobicContact CG2-CD1 4.32Å; V239-I244 HydrophobicContact CG2-CG1 3.98Å; L241-I244 HydrophobicContact CD2-CD1 4.07Å; I244-A249 HydrophobicContact CB-CB 4.28Å; I244-A249 HydrophobicContact CG1-CB 3.88Å; I244-L269 HydrophobicContact CD1-CD2 4.39Å; I244-L269 HydrophobicContact CG2-CD1 4.05Å; I244-M279 HydrophobicContact CB-SD 4.19Å; I244-M279 HydrophobicContact CG2-CG 4.42Å; I244-M279 HydrophobicContact CG2-SD 3.87Å
245T70.6Confident80.1Confident63 Ų6342.9 Ų42.939%0.38723%0.23SC..BIsolated β-bridgetrans-123.7167.2175.769.80000110.6T243 D247 G248 M276T243-T245 PolarHBondContact O-N 3.29Å; T245-D247 PolarHBondContact O-N 2.86Å; T245-D247 PolarHBondContact OG1-N 3.01Å; T245-G248 WeakPolarHBondContact CA-O 3.38Å; T245-G248 PolarHBondContact N-O 2.78Å; T245-G248 PolarHBondContact O-N 3.22Å; T245-G248 VanDerWaalsContact O-O 3.11Å; T245-G248 PolarHBondContact OG1-N 3.32Å; T245-G248 PolarHBondContact OG1-O 3.26Å; T245-M276 WeakPolarHBondContact O-CE 3.41Å
246P61.7Low79.5Confident49 Ų4942.1 Ų42.132%0.31823%0.228SC..THydrogen-bonded Turntrans-61.3-27.4174.1-23.234.8000113.7Q280P246-Q280 HydrophobicContact CG-CB 3.87Å; P246-Q280 HydrophobicContact CG-CG 4.45Å
247D54.6Low79.2Confident165 Ų16548.6 Ų48.688%0.88226%0.257SS*.THydrogen-bonded Turntrans-88.7-16-177.8-62.2-41.1000112.7T245T245-D247 PolarHBondContact O-N 2.86Å; T245-D247 PolarHBondContact OG1-N 3.01Å
248G71.5Confident78.7Confident27 Ų2753.3 Ų53.328%0.27828%0.28SS..BIsolated β-bridgetrans161.7178.5179.600000114.1T245T245-G248 WeakPolarHBondContact CA-O 3.38Å; T245-G248 PolarHBondContact N-O 2.78Å; T245-G248 PolarHBondContact O-N 3.22Å; T245-G248 VanDerWaalsContact O-O 3.11Å; T245-G248 PolarHBondContact OG1-N 3.32Å; T245-G248 PolarHBondContact OG1-O 3.26Å
249A78.4Confident78.2Confident22 Ų2255.9 Ų55.918%0.18230%0.301CS..  trans-145.1151.8175.200000110.6V239 T243 I244 V251V239-A249 HydrophobicContact CG2-CB 3.6Å; T243-A249 WeakPolarHBondContact O-CA 3.47Å; I244-A249 HydrophobicContact CB-CB 4.28Å; I244-A249 HydrophobicContact CG1-CB 3.88Å; A249-V251 PolarHBondContact O-N 3.04Å
250D81.9Confident78Confident94 Ų9456.2 Ų56.250%0.50330%0.303SS..  trans-77.1120.2176.5-65.4-14.2000109.8V239 K240 T243V239-D250 WeakPolarHBondContact CA-O 3.49Å; K240-D250 HydrophobicContact CB-CB 4.37Å; K240-D250 PolarHBondContact N-O 3.38Å; T243-D250 HydrophobicContact CG2-CB 4.14Å; T243-D250 WeakPolarHBondContact CG2-OD2 3.46Å; T243-D250 WeakPolarHBondContact OG1-CB 3.44Å; T243-D250 PolarHBondContact OG1-N 2.98Å
251V86Confident77.8Confident7 Ų757.7 Ų57.74%0.04231%0.313CS..EExtended strand (participates in β ladder)trans-121.1135.8-176.4-1790000109.2L237 V239 A249 A259 V260 M265L237-V251 HydrophobicContact CD2-CG1 4.43Å; V239-V251 HydrophobicContact CB-CG2 4.27Å; V239-V251 HydrophobicContact CG2-CG2 4.14Å; A249-V251 PolarHBondContact O-N 3.04Å; V251-A259 WeakPolarHBondContact O-CA 3.4Å; V251-V260 HydrophobicContact CB-CG2 4.39Å; V251-V260 WeakPolarHBondContact CB-O 3.27Å; V251-V260 HydrophobicContact CG1-CG2 3.89Å; V251-V260 PolarHBondContact O-N 3.13Å; V251-M265 HydrophobicContact CB-CE 4.36Å; V251-M265 HydrophobicContact CG1-CE 4.4Å; V251-M265 HydrophobicContact CG2-CE 3.15Å; V251-M265 HydrophobicContact CG2-SD 4.2Å
252Y87.5Confident77.9Confident72 Ų7258.3 Ų58.328%0.28232%0.316SS..EExtended strand (participates in β ladder)trans-119.5135-179.1-172.4-92.2000110.2W202 A238 F254 E257W202-Y252 HydrophobicContact CZ3-CG 4.37Å; A238-Y252 PolarHBondContact N-O 3.19Å; A238-Y252 PolarHBondContact O-N 3.13Å; Y252-F254 AromaticContact CD1-CD1 3.8Å; Y252-F254 HydrophobicContact CD1-CD1 3.8Å; Y252-F254 HydrophobicContact CD1-CD2 4.48Å; Y252-F254 AromaticContact CD1-CE1 3.86Å; Y252-F254 HydrophobicContact CD1-CE1 3.86Å; Y252-F254 HydrophobicContact CD1-CG 4.11Å; Y252-F254 HydrophobicContact CD1-CZ 4.23Å; Y252-F254 AromaticContact CE1-CD1 3.58Å; Y252-F254 HydrophobicContact CE1-CD1 3.58Å; Y252-F254 AromaticContact CE1-CE1 3.9Å; Y252-F254 HydrophobicContact CE1-CE1 3.9Å; Y252-F254 HydrophobicContact CE1-CG 4.13Å; Y252-E257 PolarHBondContact OH-O 2.79Å
253S87.6Confident78.2Confident0 Ų057.4 Ų57.40%032%0.315CS..EExtended strand (participates in β ladder)trans-102.6114.6173.9-177.60000109.4P236 E255 E256 E257 E258P236-S253 CarbonylContact O-C 3.56Å; P236-S253 WeakPolarHBondContact O-CA 3.46Å; S253-E255 PolarHBondContact O-N 3.02Å; S253-E256 WeakPolarHBondContact CB-OE2 3.29Å; S253-E256 WeakPolarHBondContact OG-CB 3.33Å; S253-E256 PolarHBondContact OG-N 2.93Å; S253-E256 PolarHBondContact OG-OE2 3.29Å; S253-E257 WeakPolarHBondContact O-CA 3.22Å; S253-E257 PolarHBondContact O-N 3.27Å; S253-E258 PolarHBondContact N-O 2.91Å; S253-E258 PolarHBondContact O-N 3.36Å
254F84.3Confident78.5Confident16 Ų1658.9 Ų58.97%0.0732%0.32CS..THydrogen-bonded Turntrans-72.7-18.3176.6-65.7-74.9000113.2A226 L227 Y230 P236 A238 Y252A226-F254 HydrophobicContact CB-CE1 4.48Å; A226-F254 HydrophobicContact CB-CZ 3.83Å; L227-F254 HydrophobicContact CB-CE1 4.33Å; L227-F254 HydrophobicContact CD1-CD1 3.77Å; L227-F254 HydrophobicContact CD1-CE1 4.28Å; Y230-F254 HydrophobicContact CD1-CB 3.41Å; Y230-F254 VanDerWaalsContact CD1-CB 3.41Å; Y230-F254 HydrophobicContact CD1-CG 4.12Å; Y230-F254 HydrophobicContact CD2-CB 3.65Å; Y230-F254 HydrophobicContact CD2-CD2 4.44Å; Y230-F254 HydrophobicContact CD2-CG 4.32Å; Y230-F254 HydrophobicContact CE1-CB 3.64Å; Y230-F254 WeakPolarHBondContact CE1-O 3.35Å; Y230-F254 HydrophobicContact CE2-CB 3.88Å; Y230-F254 HydrophobicContact CG-CB 3.38Å; Y230-F254 HydrophobicContact CG-CD2 4.21Å; Y230-F254 AromaticContact CG-CG 3.84Å; Y230-F254 HydrophobicContact CG-CG 3.84Å; P236-F254 PolarHBondContact O-N 3.29Å; A238-F254 HydrophobicContact CB-CE2 3.57Å; A238-F254 HydrophobicContact CB-CZ 4.2Å; Y252-F254 AromaticContact CD1-CD1 3.8Å; Y252-F254 HydrophobicContact CD1-CD1 3.8Å; Y252-F254 HydrophobicContact CD1-CD2 4.48Å; Y252-F254 AromaticContact CD1-CE1 3.86Å; Y252-F254 HydrophobicContact CD1-CE1 3.86Å; Y252-F254 HydrophobicContact CD1-CG 4.11Å; Y252-F254 HydrophobicContact CD1-CZ 4.23Å; Y252-F254 AromaticContact CE1-CD1 3.58Å; Y252-F254 HydrophobicContact CE1-CD1 3.58Å; Y252-F254 AromaticContact CE1-CE1 3.9Å; Y252-F254 HydrophobicContact CE1-CE1 3.9Å; Y252-F254 HydrophobicContact CE1-CG 4.13Å
255E81.8Confident78.8Confident110 Ų11058.8 Ų58.851%0.51432%0.32SS..THydrogen-bonded Turntrans-85.1-38175.6-172.7169.7171.600111.9H172 Y230 P236 S253 E257H172-E255 IonicContact CE1-OE1 3.86Å; H172-E255 IonicContact CE1-OE2 2.91Å; H172-E255 PolarHBondContact CE1-OE2 2.9Å; H172-E255 IonicContact ND1-OE2 3.95Å; H172-E255 IonicContact NE2-OE1 3.89Å; H172-E255 IonicContact NE2-OE2 3.1Å; H172-E255 PolarHBondContact NE2-OE2 3.48Å; H172-E255 VanDerWaalsContact NE2-OE2 3.1Å; Y230-E255 WeakPolarHBondContact OH-CA 3.37Å; P236-E255 HydrophobicContact CB-CB 4.28Å; S253-E255 PolarHBondContact O-N 3.02Å; E255-E257 VanDerWaalsContact C-N 3.34Å
256E78.9Confident79.2Confident42 Ų4258.9 Ų58.920%0.19632%0.323CS..THydrogen-bonded Turntrans-86.6-9.7178-63.1157.514000112S170 R171 S253 E258 V260S170-E256 PolarHBondContact OG-OE2 3.15Å; R171-E256 WeakPolarHBondContact CB-OE1 3.45Å; R171-E256 WeakPolarHBondContact CD-OE1 3.18Å; R171-E256 WeakPolarHBondContact CG-OE1 3.45Å; R171-E256 PolarHBondContact N-OE1 3.31Å; S253-E256 WeakPolarHBondContact CB-OE2 3.29Å; S253-E256 WeakPolarHBondContact OG-CB 3.33Å; S253-E256 PolarHBondContact OG-N 2.93Å; S253-E256 PolarHBondContact OG-OE2 3.29Å; E256-E258 PolarHBondContact O-N 3.3Å; E256-E258 VanDerWaalsContact O-N 3.16Å; E256-V260 WeakPolarHBondContact OE2-CG1 3.31Å
257E79.9Confident80Confident151 Ų15162.7 Ų62.771%0.70634%0.336SS*.THydrogen-bonded Turntrans54.223.6-176.6-61-168.1166.200114.6Y252 S253 E255Y252-E257 PolarHBondContact OH-O 2.79Å; S253-E257 WeakPolarHBondContact O-CA 3.22Å; S253-E257 PolarHBondContact O-N 3.27Å; E255-E257 VanDerWaalsContact C-N 3.34Å
258E80.5Confident81.5Confident100 Ų10055.5 Ų55.547%0.46730%0.298SS..EExtended strand (participates in β ladder)trans-136.4162.2-173.5-72.8175.1-17300111.6S253 E256S253-E258 PolarHBondContact N-O 2.91Å; S253-E258 PolarHBondContact O-N 3.36Å; E256-E258 PolarHBondContact O-N 3.3Å; E256-E258 VanDerWaalsContact O-N 3.16Å
259A80.2Confident82Confident55 Ų5554.2 Ų54.246%0.45528%0.284SS..EExtended strand (participates in β ladder)trans-71.9137.2168.200000109.2I167 V251I167-A259 WeakPolarHBondContact CG2-O 3.31Å; V251-A259 WeakPolarHBondContact O-CA 3.4Å
260V84.4Confident82.2Confident8 Ų856.6 Ų56.65%0.04830%0.3CS..EExtended strand (participates in β ladder)trans-135.6153.5-171.8-65.80000111.9I167 Q168 L237 V251 E256I167-V260 VanDerWaalsContact CG2-CA 3.46Å; Q168-V260 CarbonylContact O-C 3.51Å; Q168-V260 WeakPolarHBondContact O-CA 3.48Å; L237-V260 HydrophobicContact CD2-CG2 3.96Å; V251-V260 HydrophobicContact CB-CG2 4.39Å; V251-V260 WeakPolarHBondContact CB-O 3.27Å; V251-V260 HydrophobicContact CG1-CG2 3.89Å; V251-V260 PolarHBondContact O-N 3.13Å; E256-V260 WeakPolarHBondContact OE2-CG1 3.31Å
261L81.9Confident82.2Confident88 Ų8854.5 Ų54.546%0.46129%0.287SS..BIsolated β-bridgetrans-90.5138.1170.7-66.1177.3000110.4I167 Q168 V169 S170I167-L261 HydrophobicContact CB-CD1 4.5Å; I167-L261 HydrophobicContact CB-CD2 4.37Å; I167-L261 HydrophobicContact CB-CG 4Å; I167-L261 HydrophobicContact CG2-CD2 4.03Å; I167-L261 HydrophobicContact CG2-CG 3.68Å; I167-L261 VanDerWaalsContact O-CD1 3.26Å; I167-L261 WeakPolarHBondContact O-CD1 3.37Å; I167-L261 WeakPolarHBondContact O-CG 3.46Å; Q168-L261 PolarHBondContact O-N 2.68Å; V169-L261 CarbonylContact C-O 3.52Å; V169-L261 WeakPolarHBondContact CA-O 3.25Å; V169-L261 HydrophobicContact CG2-CB 4.12Å; S170-L261 PolarHBondContact N-O 2.88Å
262D81.6Confident81.9Confident17 Ų1754.3 Ų54.39%0.09129%0.285CS..  trans-118.6104.4171.6178.26.8000110.5A173 H264 M265 H268A173-D262 HydrophobicContact CB-CB 4.27Å; A173-D262 WeakPolarHBondContact CB-OD1 3.42Å; D262-H264 PolarHBondContact O-N 3.45Å; D262-H264 PolarHBondContact OD1-N 3.04Å; D262-M265 HydrophobicContact CB-CE 3.45Å; D262-M265 VanDerWaalsContact CB-CE 3.45Å; D262-M265 WeakPolarHBondContact O-CB 3.39Å; D262-M265 PolarHBondContact O-N 3.13Å; D262-M265 VanDerWaalsContact OD2-CE 3.28Å; D262-M265 WeakPolarHBondContact OD2-CE 3.37Å; D262-H268 IonicContact OD1-CE1 2.71Å; D262-H268 IonicContact OD1-ND1 3.72Å; D262-H268 IonicContact OD2-CE1 3.81Å; D262-H268 PolarHBondContact OD2-CE1 2.96Å; D262-H268 IonicContact OD2-CG 3.87Å; D262-H268 IonicContact OD2-ND1 3.96Å; D262-H268 PolarHBondContact OD2-ND1 3.25Å
263P79.9Confident81.3Confident74 Ų7453 Ų5348%0.48129%0.294SS..THydrogen-bonded Turntrans-62-18.5177.2-25.134.5000115.1V169V169-P263 HydrophobicContact CG1-CG 3.71Å; V169-P263 HydrophobicContact CG2-CG 4.14Å
264H81.1Confident80.7Confident59 Ų5953.4 Ų53.427%0.27330%0.296SS..THydrogen-bonded Turntrans-107.620.3-179.6-53.293.2000112.3A173 D262 S266 E267 H268A173-H264 PolarHBondContact O-ND1 3.01Å; D262-H264 PolarHBondContact O-N 3.45Å; D262-H264 PolarHBondContact OD1-N 3.04Å; H264-S266 PolarHBondContact O-N 2.84Å; H264-S266 VanDerWaalsContact O-N 3.11Å; H264-E267 IonicContact CD2-OE2 3.83Å; H264-E267 WeakPolarHBondContact O-CB 3.38Å; H264-E267 PolarHBondContact O-N 2.84Å; H264-H268 PolarHBondContact O-N 2.89Å
265M81.1Confident80Confident15 Ų1555.4 Ų55.47%0.07431%0.308CS..Hα-helixtrans-49.3-41.4-179.4-174.954.244.300113.3L205 V239 V251 D262 E267 H268 L269 M276L205-M265 HydrophobicContact CD1-CE 3.96Å; V239-M265 HydrophobicContact CG2-SD 4.33Å; V251-M265 HydrophobicContact CB-CE 4.36Å; V251-M265 HydrophobicContact CG1-CE 4.4Å; V251-M265 HydrophobicContact CG2-CE 3.15Å; V251-M265 HydrophobicContact CG2-SD 4.2Å; D262-M265 HydrophobicContact CB-CE 3.45Å; D262-M265 VanDerWaalsContact CB-CE 3.45Å; D262-M265 WeakPolarHBondContact O-CB 3.39Å; D262-M265 PolarHBondContact O-N 3.13Å; D262-M265 VanDerWaalsContact OD2-CE 3.28Å; D262-M265 WeakPolarHBondContact OD2-CE 3.37Å; M265-E267 VanDerWaalsContact C-N 3.31Å; M265-E267 PolarHBondContact O-N 2.8Å; M265-H268 PolarHBondContact O-N 2.89Å; M265-L269 HydrophobicContact CG-CD1 3.75Å; M265-L269 HydrophobicContact CG-CG 4.23Å; M265-L269 WeakPolarHBondContact O-CB 3.46Å; M265-L269 VanDerWaalsContact O-CG 3.31Å; M265-L269 WeakPolarHBondContact O-CG 3.45Å; M265-L269 PolarHBondContact O-N 3.39Å; M265-L269 HydrophobicContact SD-CD1 3.59Å; M265-L269 VanDerWaalsContact SD-CD1 3.59Å; M265-L269 HydrophobicContact SD-CD2 4.2Å; M265-L269 HydrophobicContact SD-CG 3.63Å; M265-M276 HydrophobicContact CB-CE 4.5Å; M265-M276 HydrophobicContact CB-SD 4.12Å; M265-M276 HydrophobicContact CG-CE 3.9Å; M265-M276 HydrophobicContact CG-SD 3.74Å
266S77.6Confident79.1Confident66 Ų6651.2 Ų51.246%0.46229%0.288SS..Hα-helixtrans-62.8-37.4178.955.30000113.1H264 S270 M276H264-S266 PolarHBondContact O-N 2.84Å; H264-S266 VanDerWaalsContact O-N 3.11Å; S266-S270 WeakPolarHBondContact O-CB 3.4Å; S266-S270 PolarHBondContact O-N 2.88Å; S266-S270 VanDerWaalsContact O-N 3.13Å; S266-M276 WeakPolarHBondContact CA-SD 3.42Å; S266-M276 PolarHBondContact N-SD 3.36Å
267E80.3Confident77.9Confident128 Ų12854.4 Ų54.460%0.59831%0.306SS*.Hα-helixtrans-73.2-44.9177.9-61.5-177.4177.200110.1H264 M265 L269 S270 H271H264-E267 IonicContact CD2-OE2 3.83Å; H264-E267 WeakPolarHBondContact O-CB 3.38Å; H264-E267 PolarHBondContact O-N 2.84Å; M265-E267 VanDerWaalsContact C-N 3.31Å; M265-E267 PolarHBondContact O-N 2.8Å; E267-L269 PolarHBondContact O-N 2.83Å; E267-S270 WeakPolarHBondContact O-CB 3.49Å; E267-S270 PolarHBondContact O-N 3.48Å; E267-H271 PolarHBondContact O-N 3.08Å
268H84.2Confident76.3Confident15 Ų1550.1 Ų50.17%0.06929%0.286CS..Hα-helixtrans-63.8-40.1179.8-66.4156.2000113.2A173 Q178 L205 D262 H264 M265 H271 F272A173-H268 PolarHBondContact O-CE1 2.89Å; Q178-H268 PolarHBondContact NE2-O 3.39Å; L205-H268 HydrophobicContact CD2-CB 4.33Å; D262-H268 IonicContact OD1-CE1 2.71Å; D262-H268 IonicContact OD1-ND1 3.72Å; D262-H268 IonicContact OD2-CE1 3.81Å; D262-H268 PolarHBondContact OD2-CE1 2.96Å; D262-H268 IonicContact OD2-CG 3.87Å; D262-H268 IonicContact OD2-ND1 3.96Å; D262-H268 PolarHBondContact OD2-ND1 3.25Å; H264-H268 PolarHBondContact O-N 2.89Å; M265-H268 PolarHBondContact O-N 2.89Å; H268-H271 WeakPolarHBondContact O-CB 3.46Å; H268-F272 WeakPolarHBondContact O-CD2 3.46Å
269L83Confident74.6Confident0 Ų047.9 Ų47.90%028%0.276CS..Hα-helixtrans-71.4-36.6175.5-70.5179.4000111.9L203 L205 V239 I244 M265 E267 H271 F272 G273 I274 M276L203-L269 HydrophobicContact CD2-CD2 4.37Å; L205-L269 HydrophobicContact CD2-CD2 4.01Å; V239-L269 HydrophobicContact CG1-CD2 4.05Å; I244-L269 HydrophobicContact CD1-CD2 4.39Å; I244-L269 HydrophobicContact CG2-CD1 4.05Å; M265-L269 HydrophobicContact CG-CD1 3.75Å; M265-L269 HydrophobicContact CG-CG 4.23Å; M265-L269 WeakPolarHBondContact O-CB 3.46Å; M265-L269 VanDerWaalsContact O-CG 3.31Å; M265-L269 WeakPolarHBondContact O-CG 3.45Å; M265-L269 PolarHBondContact O-N 3.39Å; M265-L269 HydrophobicContact SD-CD1 3.59Å; M265-L269 VanDerWaalsContact SD-CD1 3.59Å; M265-L269 HydrophobicContact SD-CD2 4.2Å; M265-L269 HydrophobicContact SD-CG 3.63Å; E267-L269 PolarHBondContact O-N 2.83Å; L269-H271 PolarHBondContact O-N 3.24Å; L269-F272 PolarHBondContact O-N 3.2Å; L269-F272 VanDerWaalsContact O-N 3.12Å; L269-G273 PolarHBondContact O-N 3.29Å; L269-I274 CarbonylContact C-O 3.51Å; L269-I274 HydrophobicContact CB-CB 4.02Å; L269-I274 HydrophobicContact CB-CG2 4.16Å; L269-I274 WeakPolarHBondContact CB-O 3.49Å; L269-I274 HydrophobicContact CD1-CG2 4.44Å; L269-I274 HydrophobicContact CD2-CD1 4.2Å; L269-I274 HydrophobicContact CD2-CG2 4.49Å; L269-I274 WeakPolarHBondContact O-CB 3.3Å; L269-I274 PolarHBondContact O-N 3.41Å; L269-M276 HydrophobicContact CB-CG 4.48Å; L269-M276 HydrophobicContact CD1-CG 3.63Å; L269-M276 HydrophobicContact CD1-SD 3.92Å
270S82.3Confident72.5Confident72 Ų7252.2 Ų52.250%0.50329%0.287SS..Hα-helixtrans-60.7-31.9177.4-176.40000112.2S266 E267 F272 G273 I274S266-S270 WeakPolarHBondContact O-CB 3.4Å; S266-S270 PolarHBondContact O-N 2.88Å; S266-S270 VanDerWaalsContact O-N 3.13Å; E267-S270 WeakPolarHBondContact O-CB 3.49Å; E267-S270 PolarHBondContact O-N 3.48Å; S270-F272 VanDerWaalsContact C-N 3.29Å; S270-F272 PolarHBondContact O-N 2.83Å; S270-G273 PolarHBondContact O-N 3.06Å; S270-I274 WeakPolarHBondContact CA-O 3.34Å; S270-I274 PolarHBondContact N-O 3.07Å
271H82.3Confident70Confident50 Ų5060 Ų6023%0.23132%0.316CS..Hα-helixtrans-56.8-41.5175.4-173.376.5000112.7L179 D180 R184 E267 H268 L269 G273L179-H271 PolarHBondContact O-NE2 3.23Å; D180-H271 IonicContact OD1-CE1 3.72Å; D180-H271 PolarHBondContact OD1-CE1 3.07Å; D180-H271 IonicContact OD1-NE2 2.71Å; R184-H271 PolarHBondContact NH1-O 3.23Å; E267-H271 PolarHBondContact O-N 3.08Å; H268-H271 WeakPolarHBondContact O-CB 3.46Å; L269-H271 PolarHBondContact O-N 3.24Å; H271-G273 VanDerWaalsContact C-N 3.27Å; H271-G273 PolarHBondContact O-N 3.16Å
272F80.6Confident67.7Low3 Ų362.4 Ų62.41%0.01332%0.318CS..THydrogen-bonded Turntrans-864.7178-60.4-66.7000113.9I185 L205 G208 H268 L269 S270I185-F272 HydrophobicContact CG1-CB 4.01Å; I185-F272 PolarHBondContact N-O 2.82Å; I185-F272 VanDerWaalsContact N-O 3.12Å; L205-F272 VanDerWaalsContact O-CE2 3.25Å; L205-F272 WeakPolarHBondContact O-CE2 3.23Å; L205-F272 WeakPolarHBondContact O-CZ 3.24Å; G208-F272 VanDerWaalsContact N-CE1 3.31Å; H268-F272 WeakPolarHBondContact O-CD2 3.46Å; L269-F272 PolarHBondContact O-N 3.2Å; L269-F272 VanDerWaalsContact O-N 3.12Å; S270-F272 VanDerWaalsContact C-N 3.29Å; S270-F272 PolarHBondContact O-N 2.83Å
273G73.7Confident65.5Low45 Ų4566 Ų6646%0.46434%0.341SS..THydrogen-bonded Turntrans82.818.6-17900000114.1L269 S270 H271L269-G273 PolarHBondContact O-N 3.29Å; S270-G273 PolarHBondContact O-N 3.06Å; H271-G273 VanDerWaalsContact C-N 3.27Å; H271-G273 PolarHBondContact O-N 3.16Å
274I75.2Confident63.7Low7 Ų766.7 Ų66.74%0.03634%0.338CS..  trans-100.1105.2175.4-57.8170.8000108.2I185 L203 L269 S270 M279I185-I274 HydrophobicContact CB-CD1 3.99Å; I185-I274 HydrophobicContact CB-CG1 4.3Å; I185-I274 HydrophobicContact CG2-CD1 3.98Å; L203-I274 HydrophobicContact CD2-CD1 3.68Å; L269-I274 CarbonylContact C-O 3.51Å; L269-I274 HydrophobicContact CB-CB 4.02Å; L269-I274 HydrophobicContact CB-CG2 4.16Å; L269-I274 WeakPolarHBondContact CB-O 3.49Å; L269-I274 HydrophobicContact CD1-CG2 4.44Å; L269-I274 HydrophobicContact CD2-CD1 4.2Å; L269-I274 HydrophobicContact CD2-CG2 4.49Å; L269-I274 WeakPolarHBondContact O-CB 3.3Å; L269-I274 PolarHBondContact O-N 3.41Å; S270-I274 WeakPolarHBondContact CA-O 3.34Å; S270-I274 PolarHBondContact N-O 3.07Å; I274-M279 HydrophobicContact CG2-CE 4.25Å; I274-M279 HydrophobicContact CG2-CG 4.2Å; I274-M279 HydrophobicContact CG2-SD 4.4Å
275D69.9Low61.4Low59 Ų5968.7 Ų68.732%0.31635%0.351SS..  trans-93.2113.8174.3173.70.8000109.4L277 Q278 M279D275-L277 PolarHBondContact O-N 3.24Å; D275-L277 WeakPolarHBondContact OD1-CB 3.28Å; D275-L277 PolarHBondContact OD1-N 3.02Å; D275-Q278 HydrophobicContact CB-CB 3.9Å; D275-Q278 HydrophobicContact CB-CG 4.17Å; D275-Q278 CarbonylContact O-C 3.59Å; D275-Q278 WeakPolarHBondContact O-CA 3.44Å; D275-Q278 PolarHBondContact O-N 3.34Å; D275-Q278 WeakPolarHBondContact OD2-CG 3.31Å; D275-Q278 PolarHBondContact OD2-NE2 2.91Å; D275-M279 PolarHBondContact O-N 2.82Å
276M63.6Low59Low21 Ų2170.9 Ų70.910%0.10338%0.377CS..THydrogen-bonded Turntrans-58.3-30.6-178.7-64.9-179.675.900112.6T245 M265 S266 L269T245-M276 WeakPolarHBondContact O-CE 3.41Å; M265-M276 HydrophobicContact CB-CE 4.5Å; M265-M276 HydrophobicContact CB-SD 4.12Å; M265-M276 HydrophobicContact CG-CE 3.9Å; M265-M276 HydrophobicContact CG-SD 3.74Å; S266-M276 WeakPolarHBondContact CA-SD 3.42Å; S266-M276 PolarHBondContact N-SD 3.36Å; L269-M276 HydrophobicContact CB-CG 4.48Å; L269-M276 HydrophobicContact CD1-CG 3.63Å; L269-M276 HydrophobicContact CD1-SD 3.92Å
277L51.7Low56.7Low109 Ų10976.4 Ų76.457%0.57140%0.395SS*.THydrogen-bonded Turntrans-81.1-18.7177.1-70.1166000112.7D275 R281D275-L277 PolarHBondContact O-N 3.24Å; D275-L277 WeakPolarHBondContact OD1-CB 3.28Å; D275-L277 PolarHBondContact OD1-N 3.02Å; L277-R281 PolarHBondContact O-NE 2.94Å
278Q46.6Very low54.6Low62 Ų6279.6 Ų79.629%0.2941%0.41SS..THydrogen-bonded Turntrans-93.8-15.4172.8-77.1175.324.100113.4D275 Q280 R281 R282D275-Q278 HydrophobicContact CB-CB 3.9Å; D275-Q278 HydrophobicContact CB-CG 4.17Å; D275-Q278 CarbonylContact O-C 3.59Å; D275-Q278 WeakPolarHBondContact O-CA 3.44Å; D275-Q278 PolarHBondContact O-N 3.34Å; D275-Q278 WeakPolarHBondContact OD2-CG 3.31Å; D275-Q278 PolarHBondContact OD2-NE2 2.91Å; Q278-Q280 PolarHBondContact O-N 3.38Å; Q278-R281 CarbonylContact O-C 3.53Å; Q278-R281 PolarHBondContact O-N 2.83Å; Q278-R282 HydrophobicContact CB-CB 4.4Å; Q278-R282 HydrophobicContact CB-CG 4.12Å; Q278-R282 VanDerWaalsContact CD-NE 3.33Å; Q278-R282 HydrophobicContact CG-CG 4.22Å; Q278-R282 WeakPolarHBondContact O-CB 3.44Å; Q278-R282 PolarHBondContact O-N 3Å; Q278-R282 VanDerWaalsContact OE1-CD 3.25Å
279M45.1Very low51.9Low52 Ų5284.8 Ų84.826%0.25644%0.443SS..THydrogen-bonded Turntrans-61.5-23.7173.4-84.6-121.1137.100112.4P187 W190 I244 I274 D275P187-M279 HydrophobicContact CB-CE 4.12Å; W190-M279 HydrophobicContact CZ2-CE 4.47Å; I244-M279 HydrophobicContact CB-SD 4.19Å; I244-M279 HydrophobicContact CG2-CG 4.42Å; I244-M279 HydrophobicContact CG2-SD 3.87Å; I274-M279 HydrophobicContact CG2-CE 4.25Å; I274-M279 HydrophobicContact CG2-CG 4.2Å; I274-M279 HydrophobicContact CG2-SD 4.4Å; D275-M279 PolarHBondContact O-N 2.82Å
280Q37.4Very low49.5Very low146 Ų14692.5 Ų92.568%0.68248%0.484SS*.THydrogen-bonded Turntrans-97-18.7166.2-149.6171.722.400114.1P246 Q278P246-Q280 HydrophobicContact CG-CB 3.87Å; P246-Q280 HydrophobicContact CG-CG 4.45Å; Q278-Q280 PolarHBondContact O-N 3.38Å
281R32Very low47Very low173 Ų17396.2 Ų96.265%0.65350%0.498SS*.THydrogen-bonded Turntrans-101.62.2-177.4-93.9-172.7-76.2-169.9-7.6115.7L277 Q278L277-R281 PolarHBondContact O-NE 2.94Å; Q278-R281 CarbonylContact O-C 3.53Å; Q278-R281 PolarHBondContact O-N 2.83Å
282R33.2Very low44.5Very low137 Ų137101.9 Ų101.952%0.51753%0.53SS..  trans-135.515.5-179.2-74.1-163.3-172.2-179.815.7116.1Q278 E284Q278-R282 HydrophobicContact CB-CB 4.4Å; Q278-R282 HydrophobicContact CB-CG 4.12Å; Q278-R282 VanDerWaalsContact CD-NE 3.33Å; Q278-R282 HydrophobicContact CG-CG 4.22Å; Q278-R282 WeakPolarHBondContact O-CB 3.44Å; Q278-R282 PolarHBondContact O-N 3Å; Q278-R282 VanDerWaalsContact OE1-CD 3.25Å; R282-E284 WeakPolarHBondContact CA-O 3.13Å; R282-E284 PolarHBondContact O-N 2.68Å
283T35.6Very low42.2Very low94 Ų94107 Ų10758%0.57756%0.564SS**SBendtrans-63.1-2.4139.541.10000111.8R296T283-R296 PolarHBondContact O-NH1 3.24Å; T283-R296 PolarHBondContact O-NH2 3.42Å
284E40.8Very low40.1Very low87 Ų87116 Ų11641%0.40758%0.584SS.*SBendtrans-13197161.5-76.5166.3-146.100109.7R282 G286 R296R282-E284 WeakPolarHBondContact CA-O 3.13Å; R282-E284 PolarHBondContact O-N 2.68Å; E284-G286 PolarHBondContact O-N 2.89Å; E284-R296 VanDerWaalsContact CD-CZ 3.47Å; E284-R296 WeakPolarHBondContact OE1-CD 3.28Å; E284-R296 WeakPolarHBondContact OE1-CG 3.36Å; E284-R296 IonicContact OE1-CZ 3.09Å; E284-R296 IonicContact OE1-NE 2.8Å; E284-R296 PolarHBondContact OE1-NE 3.46Å; E284-R296 IonicContact OE1-NH1 2.72Å; E284-R296 PolarHBondContact OE1-NH1 3.34Å
285N33.6Very low38.2Very low101 Ų101120.8 Ų120.854%0.5462%0.616SS.*  trans-65.4126.6174.2-86.3-25.4000111
286G31.6Very low37Very low61 Ų61122.2 Ų122.263%0.62962%0.616SS**  trans-74.5133168.700000112.8E284E284-G286 PolarHBondContact O-N 2.89Å
287H29.2Very low36.4Very low182 Ų182125.3 Ų125.384%0.84364%0.636SS**  trans-123.7123.5138.7-11970.4000107T289H287-T289 PolarHBondContact O-N 3.43Å
288H36.2Very low36.7Very low195 Ų195122.6 Ų122.690%0.90363%0.627SS**  trans-66.8103.4172.6-77.1-76.9000109.5
289T27Very low37.4Very low125 Ų125120.7 Ų120.777%0.76762%0.618SS**  trans-138.1130.9146.136.80000106.6H287 N291H287-T289 PolarHBondContact O-N 3.43Å; T289-N291 PolarHBondContact O-N 3.24Å; T289-N291 VanDerWaalsContact O-N 3.12Å
290D33.2Very low38.3Very low161 Ų161123.4 Ų123.486%0.86163%0.625SS**SBendtrans-36.9113.3177.5-74.4-43.7000112.7
291N29.1Very low39.4Very low150 Ų150120.4 Ų120.480%0.80261%0.611SS**  trans175.1102.8145.6-88.5-28.3000107.1T289 P293T289-N291 PolarHBondContact O-N 3.24Å; T289-N291 VanDerWaalsContact O-N 3.12Å; N291-P293 WeakPolarHBondContact O-CD 3.31Å; N291-P293 WeakPolarHBondContact O-CG 3.35Å
292N29.7Very low40.9Very low169 Ų169114.6 Ų114.690%0.90460%0.595SS**  trans-50.9100.8178.9-151.921.4000110.9
293P32.7Very low42.7Very low112 Ų112108 Ų10873%0.72757%0.57SS**PPolyproline II helixtrans-83.6133.6172.97.913000107.2N291N291-P293 WeakPolarHBondContact O-CD 3.31Å; N291-P293 WeakPolarHBondContact O-CG 3.35Å
294R30Very low44.3Very low233 Ų233105.9 Ų105.988%0.87955%0.553SS**PPolyproline II helixtrans-56.4141.3175-67.4175.3177.4178.2-1.5109.5R296R294-R296 PolarHBondContact O-N 2.98Å
295P35.3Very low45.6Very low108 Ų108102.1 Ų102.170%0.70154%0.536SS*.PPolyproline II helixtrans-58.7138.917624.1-31.8000110.2V297P295-V297 PolarHBondContact O-N 2.98Å
296R43.5Very low46.5Very low88 Ų88100.6 Ų100.633%0.33253%0.533SS..PPolyproline II helixtrans-57.5124.3-177.8-69.2-169.8-174.7147.7-11.9110.9T283 E284 R294 S298 P518T283-R296 PolarHBondContact O-NH1 3.24Å; T283-R296 PolarHBondContact O-NH2 3.42Å; E284-R296 VanDerWaalsContact CD-CZ 3.47Å; E284-R296 WeakPolarHBondContact OE1-CD 3.28Å; E284-R296 WeakPolarHBondContact OE1-CG 3.36Å; E284-R296 IonicContact OE1-CZ 3.09Å; E284-R296 IonicContact OE1-NE 2.8Å; E284-R296 PolarHBondContact OE1-NE 3.46Å; E284-R296 IonicContact OE1-NH1 2.72Å; E284-R296 PolarHBondContact OE1-NH1 3.34Å; R294-R296 PolarHBondContact O-N 2.98Å; R296-S298 PolarHBondContact O-N 3.17Å; R296-P518 PolarHBondContact NH2-O 2.85Å
297V51.1Low47.5Very low86 Ų86101.7 Ų101.752%0.52154%0.544SS..  trans-81.9107.4179.3-1680000110.1P295 E301 V302P295-V297 PolarHBondContact O-N 2.98Å; V297-E301 WeakPolarHBondContact CA-OE2 3.38Å; V297-E301 HydrophobicContact CG1-CB 4.02Å; V297-V302 HydrophobicContact CG1-CG2 3.52Å
298S57.5Low49.2Very low53 Ų5396.4 Ų96.437%0.37152%0.521SS..  trans-70.8153.3177.6174.50000111.9R296 W300 E301 V302R296-S298 PolarHBondContact O-N 3.17Å; S298-W300 PolarHBondContact O-N 3Å; S298-W300 VanDerWaalsContact O-N 3.11Å; S298-W300 PolarHBondContact OG-N 3.48Å; S298-E301 PolarHBondContact N-OE2 3.06Å; S298-E301 PolarHBondContact O-N 3.42Å; S298-V302 PolarHBondContact O-N 3.15Å
299E61.5Low50.6Low22 Ų2297.7 Ų97.710%0.10352%0.524CS..Hα-helixtrans-49.6-36.4170.2-176.3-175.1-161.700111.1V302 I303 K585 G815E299-V302 PolarHBondContact O-N 3.43Å; E299-I303 HydrophobicContact CG-CD1 3.7Å; E299-I303 WeakPolarHBondContact O-CB 3.48Å; E299-I303 WeakPolarHBondContact O-CG1 3.33Å; E299-I303 PolarHBondContact O-N 3.2Å; E299-K585 IonicContact OE1-NZ 3.72Å; E299-K585 PolarHBondContact OE1-NZ 3.29Å; E299-K585 IonicContact OE2-NZ 3.79Å; E299-K585 PolarHBondContact OE2-NZ 3.28Å; E299-G815 PolarHBondContact OE2-N 3.36Å
300W65.5Low53Low108 Ų10893.8 Ų93.841%0.40950%0.498SS..Hα-helixtrans-62.3-43.1175.2-71.274.3000112.9S298 Q304 M814 H822S298-W300 PolarHBondContact O-N 3Å; S298-W300 VanDerWaalsContact O-N 3.11Å; S298-W300 PolarHBondContact OG-N 3.48Å; W300-Q304 VanDerWaalsContact O-CB 3.27Å; W300-Q304 WeakPolarHBondContact O-CB 3.41Å; W300-Q304 WeakPolarHBondContact O-CG 3.29Å; W300-Q304 PolarHBondContact O-N 2.85Å; W300-M814 HydrophobicContact CD2-CB 4.26Å; W300-M814 HydrophobicContact CD2-SD 4.49Å; W300-M814 HydrophobicContact CE3-CE 4.2Å; W300-M814 HydrophobicContact CE3-SD 4.34Å; W300-M814 HydrophobicContact CZ2-CB 4.43Å; W300-M814 HydrophobicContact CZ3-CE 4.22Å; W300-H822 HydrophobicContact CH2-CB 3.36Å; W300-H822 HydrophobicContact CZ2-CB 4.08Å; W300-H822 HydrophobicContact CZ3-CB 3.84Å
301E59.1Low55.3Low84 Ų8493.3 Ų93.339%0.39349%0.488SS..Hα-helixtrans-73.7-34.7-178.8-66.7177.7171.800112.1V297 S298 E305 S306V297-E301 WeakPolarHBondContact CA-OE2 3.38Å; V297-E301 HydrophobicContact CG1-CB 4.02Å; S298-E301 PolarHBondContact N-OE2 3.06Å; S298-E301 PolarHBondContact O-N 3.42Å; E301-E305 CarbonylContact O-C 3.56Å; E301-E305 VanDerWaalsContact O-CA 3.28Å; E301-E305 WeakPolarHBondContact O-CA 3.5Å; E301-E305 PolarHBondContact O-N 3.44Å; E301-E305 VanDerWaalsContact O-N 3.1Å; E301-S306 PolarHBondContact O-N 3.19Å
302V63.5Low57.9Low50 Ų5088.5 Ų88.530%0.30347%0.469SS..Hα-helixtrans-65.8-49.6173.5-178.30000109.9V297 S298 E299 E305 L851V297-V302 HydrophobicContact CG1-CG2 3.52Å; S298-V302 PolarHBondContact O-N 3.15Å; E299-V302 PolarHBondContact O-N 3.43Å; V302-E305 PolarHBondContact O-N 3.45Å; V302-L851 HydrophobicContact CB-CD1 4.28Å; V302-L851 HydrophobicContact CG1-CD1 3.84Å
303I71Confident60.6Low0 Ų081.5 Ų81.50%043%0.433CS..Hα-helixtrans-74.1-34.1-172.1-70.3173.4000112.5E299 E305 M814 V824 H826 P848 L851E299-I303 HydrophobicContact CG-CD1 3.7Å; E299-I303 WeakPolarHBondContact O-CB 3.48Å; E299-I303 WeakPolarHBondContact O-CG1 3.33Å; E299-I303 PolarHBondContact O-N 3.2Å; I303-E305 VanDerWaalsContact C-N 3.29Å; I303-M814 HydrophobicContact CB-CG 4.02Å; I303-M814 HydrophobicContact CB-SD 3.75Å; I303-M814 HydrophobicContact CD1-CG 3.68Å; I303-M814 HydrophobicContact CG1-CG 4.44Å; I303-M814 HydrophobicContact CG2-CG 3.76Å; I303-M814 HydrophobicContact CG2-SD 3.47Å; I303-M814 WeakPolarHBondContact CG2-SD 3.47Å; I303-V824 HydrophobicContact CG2-CG2 3.32Å; I303-H826 PolarHBondContact O-CE1 3.1Å; I303-P848 HydrophobicContact CB-CG 4.16Å; I303-P848 HydrophobicContact CG1-CB 3.92Å; I303-P848 HydrophobicContact CG1-CG 3.95Å; I303-P848 HydrophobicContact CG2-CG 4.1Å; I303-L851 HydrophobicContact CD1-CB 3.94Å; I303-L851 HydrophobicContact CD1-CD1 4.11Å; I303-L851 HydrophobicContact CG1-CB 4.21Å; I303-L851 HydrophobicContact CG1-CD1 3.87Å
304Q69.9Low63.2Low48 Ų4879.4 Ų79.422%0.22441%0.412CS..THydrogen-bonded Turntrans-87.6-1175.5-61-176.120.900113W300 S306 M814W300-Q304 VanDerWaalsContact O-CB 3.27Å; W300-Q304 WeakPolarHBondContact O-CB 3.41Å; W300-Q304 WeakPolarHBondContact O-CG 3.29Å; W300-Q304 PolarHBondContact O-N 2.85Å; Q304-S306 PolarHBondContact O-N 2.74Å; Q304-M814 HydrophobicContact CG-CE 4.37Å; Q304-M814 HydrophobicContact CG-SD 3.9Å
305E67.3Low66Low8 Ų869.3 Ų69.34%0.03738%0.381CS..THydrogen-bonded Turntrans48.738.3-172.1-59.2176.1-120.500112.2E301 V302 I303 G307 M308 L310 S844 E845 R846E301-E305 CarbonylContact O-C 3.56Å; E301-E305 VanDerWaalsContact O-CA 3.28Å; E301-E305 WeakPolarHBondContact O-CA 3.5Å; E301-E305 PolarHBondContact O-N 3.44Å; E301-E305 VanDerWaalsContact O-N 3.1Å; V302-E305 PolarHBondContact O-N 3.45Å; I303-E305 VanDerWaalsContact C-N 3.29Å; E305-G307 PolarHBondContact O-N 2.87Å; E305-M308 HydrophobicContact CB-CB 4.45Å; E305-M308 HydrophobicContact CB-CG 4.44Å; E305-M308 WeakPolarHBondContact O-CA 3.42Å; E305-M308 WeakPolarHBondContact O-CB 3.35Å; E305-M308 PolarHBondContact O-N 2.97Å; E305-L310 HydrophobicContact CB-CD1 4.19Å; E305-L310 HydrophobicContact CB-CD2 4.02Å; E305-L310 HydrophobicContact CB-CG 4.41Å; E305-S844 WeakPolarHBondContact OE1-CA 3.39Å; E305-S844 WeakPolarHBondContact OE1-CB 3.27Å; E305-S844 PolarHBondContact OE1-OG 2.98Å; E305-E845 PolarHBondContact OE1-N 3.13Å; E305-E845 PolarHBondContact OE2-N 2.76Å; E305-E845 VanDerWaalsContact OE2-N 3.12Å; E305-R846 PolarHBondContact OE2-N 3.48Å
306S52.5Low68.6Low70 Ų7068 Ų6849%0.4937%0.374SS..THydrogen-bonded Turntrans-59-20.9-170.3-57.60000114.2E301 Q304 M308E301-S306 PolarHBondContact O-N 3.19Å; Q304-S306 PolarHBondContact O-N 2.74Å; S306-M308 VanDerWaalsContact C-N 3.27Å
307G53.4Low70.8Confident83 Ų8364.1 Ų64.186%0.85636%0.362SS*.THydrogen-bonded Turntrans-77.6-5.917300000114.7E305E305-G307 PolarHBondContact O-N 2.87Å
308M63.5Low72.8Confident72 Ų7261.5 Ų61.536%0.35534%0.343SS..SBendtrans-111.9138179.8-53.9-158.9-170.100110.5E305 S306 L310 E845 R846E305-M308 HydrophobicContact CB-CB 4.45Å; E305-M308 HydrophobicContact CB-CG 4.44Å; E305-M308 WeakPolarHBondContact O-CA 3.42Å; E305-M308 WeakPolarHBondContact O-CB 3.35Å; E305-M308 PolarHBondContact O-N 2.97Å; S306-M308 VanDerWaalsContact C-N 3.27Å; M308-L310 VanDerWaalsContact C-N 3.27Å; M308-L310 HydrophobicContact CB-CD2 3.9Å; M308-L310 PolarHBondContact O-N 3.3Å; M308-E845 HydrophobicContact SD-CB 4.18Å; M308-R846 HydrophobicContact CE-CB 4.29Å; M308-R846 HydrophobicContact CE-CG 3.99Å
309K66.8Low74.5Confident222 Ų22259 Ų5997%0.96533%0.325SS*.  trans-76.482.2171.3-69.7-174.1178.8-175.80109.1
310L77.3Confident75.9Confident42 Ų4258 Ų5822%0.2232%0.32CS..PPolyproline II helixtrans-65.8140.5178.6-55.2-175.7000110.8E305 M308 I835 C842 L843E305-L310 HydrophobicContact CB-CD1 4.19Å; E305-L310 HydrophobicContact CB-CD2 4.02Å; E305-L310 HydrophobicContact CB-CG 4.41Å; M308-L310 VanDerWaalsContact C-N 3.27Å; M308-L310 HydrophobicContact CB-CD2 3.9Å; M308-L310 PolarHBondContact O-N 3.3Å; L310-I835 HydrophobicContact CD1-CG2 3.9Å; L310-C842 HydrophobicContact CB-CB 3.73Å; L310-C842 HydrophobicContact CD1-CB 4.06Å; L310-L843 WeakPolarHBondContact CD2-O 3.48Å
311K82.2Confident77.2Confident151 Ų15152.8 Ų52.866%0.65730%0.301SS*.PPolyproline II helixtrans-84.7120.4178.6-175.6-179.8178.3-178.80110C842 L843K311-C842 WeakPolarHBondContact O-CA 3.29Å; K311-L843 HydrophobicContact CB-CD1 4.48Å; K311-L843 HydrophobicContact CD-CD1 4.43Å; K311-L843 PolarHBondContact O-N 2.96Å
312A83.8Confident78.6Confident50 Ų5051.1 Ų51.141%0.41329%0.292SS..BIsolated β-bridgetrans-61.5140.7171.200000111.1F314A312-F314 HydrophobicContact CB-CE2 4.06Å; A312-F314 HydrophobicContact CB-CZ 4.19Å
313V85.8Confident79.5Confident21 Ų2151.1 Ų51.113%0.12729%0.29CS..  trans-122.7145.7179.9-74.70000111.2Y318 V834 V841 L843V313-Y318 HydrophobicContact CB-CD1 3.99Å; V313-Y318 HydrophobicContact CB-CE1 4.46Å; V313-Y318 HydrophobicContact CB-CG 4.32Å; V313-Y318 HydrophobicContact CG2-CD1 3.5Å; V313-Y318 VanDerWaalsContact CG2-CD1 3.5Å; V313-Y318 HydrophobicContact CG2-CE1 4.12Å; V313-Y318 HydrophobicContact CG2-CG 4.15Å; V313-V834 HydrophobicContact CG2-CG1 4.1Å; V313-V841 HydrophobicContact CG2-CB 4.34Å; V313-V841 HydrophobicContact CG2-CG1 3.68Å; V313-V841 PolarHBondContact N-O 2.69Å; V313-V841 VanDerWaalsContact N-O 3.16Å; V313-L843 HydrophobicContact CG1-CD1 4Å; V313-L843 HydrophobicContact CG1-CD2 3.9Å; V313-L843 HydrophobicContact CG1-CG 3.53Å
314F87.8Confident79.9Confident68 Ų6852.6 Ų52.630%0.29830%0.298SS..  trans-134.9159.4-175.9-57.5-83.5000110.6A312 S383 P385 Q408A312-F314 HydrophobicContact CB-CE2 4.06Å; A312-F314 HydrophobicContact CB-CZ 4.19Å; F314-S383 VanDerWaalsContact CA-OG 3.28Å; F314-S383 WeakPolarHBondContact CA-OG 3.42Å; F314-P385 HydrophobicContact CD2-CB 4.15Å; F314-P385 HydrophobicContact CE2-CB 4.5Å; F314-P385 HydrophobicContact CG-CB 4.37Å; F314-Q408 HydrophobicContact CD1-CG 4.44Å; F314-Q408 HydrophobicContact CE1-CB 4.13Å; F314-Q408 HydrophobicContact CE1-CG 4.29Å
315G87.3Confident79.8Confident22 Ų2252.2 Ų52.223%0.22731%0.307CS..SBendtrans113.4-166.6175.800000114.2G317 Y318 S383G315-G317 PolarHBondContact O-N 3.28Å; G315-Y318 PolarHBondContact O-N 3.47Å; G315-S383 PolarHBondContact N-O 2.85Å; G315-S383 PolarHBondContact N-OG 3.37Å; G315-S383 WeakPolarHBondContact O-CB 3.36Å
316S91Very high80.4Confident79 Ų7954.7 Ų54.755%0.55232%0.32SS*.THydrogen-bonded Turntrans-57124.6-178.7174.40000111.4Y318 L378S316-Y318 WeakPolarHBondContact O-CD2 3.25Å; S316-Y318 PolarHBondContact O-N 3.31Å; S316-L378 WeakPolarHBondContact CA-O 3.03Å; S316-L378 VanDerWaalsContact CB-O 3.27Å; S316-L378 WeakPolarHBondContact CB-O 3.48Å; S316-L378 PolarHBondContact OG-O 2.85Å
317G90Very high82.1Confident7 Ų751.3 Ų51.37%0.07230%0.297CS..THydrogen-bonded Turntrans77.43.9-178.900000115.1G315 L377 K829 Y836G315-G317 PolarHBondContact O-N 3.28Å; G317-L377 VanDerWaalsContact CA-O 3.31Å; G317-L377 WeakPolarHBondContact CA-O 3.43Å; G317-L377 PolarHBondContact N-O 3.17Å; G317-L377 VanDerWaalsContact N-O 3.13Å; G317-K829 PolarHBondContact O-NZ 3.46Å; G317-Y836 PolarHBondContact O-OH 3.08Å
318Y92.8Very high83.8Confident32 Ų3247.6 Ų47.613%0.12526%0.257CS..  trans-11636.6176.6-59.2-79.6000111.2V313 G315 S316 S383 Q408 K829 V834 V841V313-Y318 HydrophobicContact CB-CD1 3.99Å; V313-Y318 HydrophobicContact CB-CE1 4.46Å; V313-Y318 HydrophobicContact CB-CG 4.32Å; V313-Y318 HydrophobicContact CG2-CD1 3.5Å; V313-Y318 VanDerWaalsContact CG2-CD1 3.5Å; V313-Y318 HydrophobicContact CG2-CE1 4.12Å; V313-Y318 HydrophobicContact CG2-CG 4.15Å; G315-Y318 PolarHBondContact O-N 3.47Å; S316-Y318 WeakPolarHBondContact O-CD2 3.25Å; S316-Y318 PolarHBondContact O-N 3.31Å; Y318-S383 WeakPolarHBondContact O-CB 3.45Å; Y318-S383 PolarHBondContact O-OG 2.83Å; Y318-Q408 PolarHBondContact O-NE2 2.86Å; Y318-Q408 PolarHBondContact O-OE1 3.35Å; Y318-K829 HydrophobicContact CE1-CD 4.45Å; Y318-V834 HydrophobicContact CD1-CG1 4.19Å; Y318-V834 HydrophobicContact CD1-CG2 4.49Å; Y318-V834 HydrophobicContact CE1-CG1 4.31Å; Y318-V834 HydrophobicContact CE1-CG2 3.8Å; Y318-V841 HydrophobicContact CD1-CG1 4.39Å
319T92.8Very high85.2Confident0 Ų044.2 Ų44.20%024%0.241CC..  trans-89.4127.3176.5-56.30000111.1Q335 G376 L377 Q408 I411T319-Q335 PolarHBondContact O-NE2 3.03Å; T319-G376 PolarHBondContact OG1-O 3.39Å; T319-G376 VanDerWaalsContact OG1-O 3.13Å; T319-L377 HydrophobicContact CG2-CD2 4.34Å; T319-L377 PolarHBondContact OG1-O 3.1Å; T319-Q408 VanDerWaalsContact CA-NE2 3.29Å; T319-I411 HydrophobicContact CG2-CG1 4.2Å; T319-I411 HydrophobicContact CG2-CG2 3.85Å
320G90.9Very high86.6Confident0 Ų033.7 Ų33.70%020%0.195CC..  trans-80.7155.2171.900000113.2Q408 G410 I411 D838G320-Q408 VanDerWaalsContact N-NE2 3.18Å; G320-G410 CarbonylContact O-C 3.6Å; G320-G410 WeakPolarHBondContact O-CA 3.29Å; G320-I411 PolarHBondContact O-N 3.44Å; G320-D838 CarbonylContact C-O 3.58Å; G320-D838 WeakPolarHBondContact CA-O 3.18Å
321I92.5Very high87.3Confident0 Ų031.8 Ų31.80%019%0.185CC..BIsolated β-bridgetrans-110.2123.2178.4-63.2174.8000109.4S331 L334 Q335 L377 I411 P413 D838 H839I321-S331 WeakPolarHBondContact CG2-OG 3.37Å; I321-L334 HydrophobicContact CD1-CB 4.31Å; I321-Q335 HydrophobicContact CD1-CG 3.92Å; I321-L377 HydrophobicContact CD1-CD1 4.49Å; I321-L377 HydrophobicContact CD1-CD2 4.09Å; I321-L377 HydrophobicContact CG1-CD2 3.88Å; I321-I411 CarbonylContact C-O 3.58Å; I321-I411 WeakPolarHBondContact CA-O 3.49Å; I321-I411 HydrophobicContact CG1-CD1 4.26Å; I321-I411 HydrophobicContact CG1-CG1 4.03Å; I321-P413 HydrophobicContact CG2-CG 3.68Å; I321-D838 PolarHBondContact N-O 3.49Å; I321-D838 CarbonylContact O-C 3.58Å; I321-D838 WeakPolarHBondContact O-CA 3.48Å; I321-D838 WeakPolarHBondContact O-CB 3.38Å; I321-H839 PolarHBondContact O-N 2.89Å
322K88.4Confident88Confident49 Ų4924.8 Ų24.821%0.21316%0.155CC..  trans-68.3134178.7-167.7175.9-175.7178.80110.6N104 D106 I411N104-K322 PolarHBondContact OD1-NZ 3.41Å; D106-K322 IonicContact OD2-NZ 3.25Å; D106-K322 PolarHBondContact OD2-NZ 3.09Å; D106-K322 VanDerWaalsContact OD2-NZ 3.1Å; K322-I411 PolarHBondContact N-O 3.24Å
323N82.8Confident88.7Confident50 Ų5022.4 Ų22.427%0.26714%0.136SC..  trans-67.1132.2173.4-161.6-46.9000110.5G325 N326 S327 D838N323-G325 PolarHBondContact OD1-N 2.89Å; N323-N326 PolarHBondContact OD1-N 3.12Å; N323-N326 VanDerWaalsContact OD1-N 3.15Å; N323-S327 PolarHBondContact OD1-N 2.99Å; N323-D838 HydrophobicContact CB-CB 4.37Å; N323-D838 WeakPolarHBondContact CB-OD2 3.25Å; N323-D838 PolarHBondContact ND2-OD2 3.07Å
324L79.6Confident89.2Confident31 Ų3121.5 Ų21.516%0.16213%0.13CC..  trans-108.327.8-176.7-56.2178000112S327 R414 K417L324-S327 PolarHBondContact N-OG 3.4Å; L324-R414 HydrophobicContact CD1-CB 4.41Å; L324-R414 HydrophobicContact CD1-CG 3.79Å; L324-R414 HydrophobicContact CD2-CG 3.68Å; L324-R414 HydrophobicContact CG-CG 4.37Å; L324-K417 HydrophobicContact CD1-CB 4.48Å; L324-K417 HydrophobicContact CD1-CD 4.07Å
325G67.4Low89.6Confident39 Ų3918.5 Ų18.540%0.40212%0.117SC..SBendtrans81.598-169.300000110.3N323 S327N323-G325 PolarHBondContact OD1-N 2.89Å; G325-S327 VanDerWaalsContact C-N 3.26Å; G325-S327 PolarHBondContact O-N 2.78Å
326N80.4Confident90.1Very high60 Ų6017.4 Ų17.432%0.32111%0.106SC..SBendtrans59.924.4-179.8-59.5-45.4000115.6N323 C328 Y329 N430 Q432N323-N326 PolarHBondContact OD1-N 3.12Å; N323-N326 VanDerWaalsContact OD1-N 3.15Å; N326-C328 PolarHBondContact O-N 3.47Å; N326-Y329 WeakPolarHBondContact O-CD1 3.32Å; N326-Y329 WeakPolarHBondContact O-CE1 3.42Å; N326-N430 WeakPolarHBondContact CB-O 3.18Å; N326-N430 PolarHBondContact ND2-O 3.24Å; N326-Q432 HydrophobicContact CB-CG 3.67Å; N326-Q432 VanDerWaalsContact CG-CG 3.43Å; N326-Q432 VanDerWaalsContact OD1-CG 3.32Å; N326-Q432 WeakPolarHBondContact OD1-CG 3.32Å; N326-Q432 PolarHBondContact OD1-NE2 3.05Å; N326-Q432 VanDerWaalsContact OD1-NE2 3.12Å
327S87.4Confident90.4Very high0 Ų013.7 Ų13.70%08%0.08CC..  trans-93.419.6-176.472.10000114.8N323 L324 G325 L330 S331N323-S327 PolarHBondContact OD1-N 2.99Å; L324-S327 PolarHBondContact N-OG 3.4Å; G325-S327 VanDerWaalsContact C-N 3.26Å; G325-S327 PolarHBondContact O-N 2.78Å; S327-L330 PolarHBondContact O-N 3.28Å; S327-S331 PolarHBondContact O-N 2.58Å; S327-S331 PolarHBondContact O-OG 2.95Å
328C90Very high90.7Very high4 Ų413.4 Ų13.43%0.0278%0.077CC..Hα-helixtrans-68.5-32.6-177.655.20000112.6N326 L330 S331 T332 H822 Y823N326-C328 PolarHBondContact O-N 3.47Å; C328-L330 VanDerWaalsContact C-N 3.32Å; C328-L330 PolarHBondContact O-N 2.86Å; C328-S331 PolarHBondContact O-N 2.81Å; C328-T332 WeakPolarHBondContact O-CG2 3.13Å; C328-T332 PolarHBondContact O-N 3.13Å; C328-T332 PolarHBondContact O-OG1 3.44Å; C328-H822 VanDerWaalsContact CB-CE1 3.42Å; C328-H822 WeakPolarHBondContact CB-CE1 3.37Å; C328-H822 WeakPolarHBondContact CB-ND1 3.49Å; C328-H822 PolarHBondContact SG-ND1 2.81Å; C328-Y823 PolarHBondContact SG-N 2.94Å; C328-Y823 VanDerWaalsContact SG-N 3.44Å
329Y92.9Very high90.9Very high2 Ų212.5 Ų12.51%0.0088%0.075CC..Hα-helixtrans-58.7-44.1172.467.8-92.7000111.4N326 T332 V333 F427 Q433 F438N326-Y329 WeakPolarHBondContact O-CD1 3.32Å; N326-Y329 WeakPolarHBondContact O-CE1 3.42Å; Y329-T332 PolarHBondContact O-OG1 2.91Å; Y329-T332 VanDerWaalsContact O-OG1 3.09Å; Y329-V333 WeakPolarHBondContact O-CG2 3.42Å; Y329-V333 PolarHBondContact O-N 3.15Å; Y329-F427 AromaticContact CE2-CD1 3.85Å; Y329-F427 HydrophobicContact CE2-CD1 3.85Å; Y329-F427 HydrophobicContact CE2-CE1 4.13Å; Y329-Q433 WeakPolarHBondContact CB-O 3.34Å; Y329-Q433 HydrophobicContact CD1-CB 3.76Å; Y329-Q433 HydrophobicContact CD1-CG 4.45Å; Y329-Q433 HydrophobicContact CD2-CB 4.06Å; Y329-Q433 HydrophobicContact CE1-CB 3.6Å; Y329-Q433 HydrophobicContact CE1-CG 3.81Å; Y329-Q433 HydrophobicContact CE2-CB 3.96Å; Y329-Q433 HydrophobicContact CE2-CG 4.4Å; Y329-Q433 HydrophobicContact CG-CB 3.99Å; Y329-F438 HydrophobicContact CD2-CB 3.71Å; Y329-F438 HydrophobicContact CD2-CD1 4.12Å; Y329-F438 HydrophobicContact CD2-CD2 4.07Å; Y329-F438 AromaticContact CD2-CG 3.68Å; Y329-F438 HydrophobicContact CD2-CG 3.68Å; Y329-F438 HydrophobicContact CE2-CB 4.12Å; Y329-F438 HydrophobicContact CE2-CD1 4.47Å; Y329-F438 AromaticContact CE2-CD2 3.7Å; Y329-F438 HydrophobicContact CE2-CD2 3.7Å; Y329-F438 HydrophobicContact CE2-CE2 4.24Å; Y329-F438 AromaticContact CE2-CG 3.82Å; Y329-F438 HydrophobicContact CE2-CG 3.82Å
330L94.6Very high91Very high0 Ų012.5 Ų12.50%08%0.075CC..Hα-helixtrans-66.8-45.6177.4172.7151000110.7S327 C328 T332 V333 L334 P413 K417 F438S327-L330 PolarHBondContact O-N 3.28Å; C328-L330 VanDerWaalsContact C-N 3.32Å; C328-L330 PolarHBondContact O-N 2.86Å; L330-T332 PolarHBondContact O-N 2.96Å; L330-V333 PolarHBondContact O-N 2.87Å; L330-L334 HydrophobicContact CD2-CD1 3.35Å; L330-L334 HydrophobicContact CD2-CG 4.48Å; L330-L334 HydrophobicContact CG-CD1 3.66Å; L330-L334 HydrophobicContact CG-CG 4.44Å; L330-L334 WeakPolarHBondContact O-CB 3.28Å; L330-L334 WeakPolarHBondContact O-CD1 3.21Å; L330-L334 WeakPolarHBondContact O-CG 3.37Å; L330-L334 PolarHBondContact O-N 3.24Å; L330-P413 HydrophobicContact CD2-CG 4.05Å; L330-K417 HydrophobicContact CD1-CB 3.98Å; L330-K417 HydrophobicContact CD1-CG 4Å; L330-F438 HydrophobicContact CB-CD1 4.41Å; L330-F438 HydrophobicContact CB-CE1 3.9Å; L330-F438 HydrophobicContact CB-CE2 4.5Å; L330-F438 HydrophobicContact CB-CZ 3.95Å; L330-F438 HydrophobicContact CD1-CE1 4.39Å; L330-F438 HydrophobicContact CD1-CE2 4.08Å; L330-F438 HydrophobicContact CD1-CZ 3.64Å; L330-F438 HydrophobicContact CG-CE1 3.9Å; L330-F438 HydrophobicContact CG-CE2 4.44Å; L330-F438 HydrophobicContact CG-CZ 3.66Å
331S93.9Very high91.2Very high3 Ų315.2 Ų15.22%0.0219%0.092CC..Hα-helixtrans-61.5-45.8-176.8-55.80000111.6I321 S327 C328 Q335I321-S331 WeakPolarHBondContact CG2-OG 3.37Å; S327-S331 PolarHBondContact O-N 2.58Å; S327-S331 PolarHBondContact O-OG 2.95Å; C328-S331 PolarHBondContact O-N 2.81Å; S331-Q335 WeakPolarHBondContact O-CG 3.37Å; S331-Q335 PolarHBondContact O-N 2.82Å
332T96.3Very high91.2Very high3 Ų316.1 Ų16.12%0.01810%0.097CC..Hα-helixtrans-67.3-43.8-17950.90000113.2C328 Y329 L330 Q335 V336 V824 C825C328-T332 WeakPolarHBondContact O-CG2 3.13Å; C328-T332 PolarHBondContact O-N 3.13Å; C328-T332 PolarHBondContact O-OG1 3.44Å; Y329-T332 PolarHBondContact O-OG1 2.91Å; Y329-T332 VanDerWaalsContact O-OG1 3.09Å; L330-T332 PolarHBondContact O-N 2.96Å; T332-Q335 PolarHBondContact O-N 3.13Å; T332-V336 WeakPolarHBondContact O-CG2 3.29Å; T332-V336 PolarHBondContact O-N 2.78Å; T332-V824 VanDerWaalsContact CG2-CA 3.49Å; T332-C825 HydrophobicContact CG2-CB 4.01Å
333V97.6Very high91.5Very high1 Ų113.8 Ų13.81%0.0069%0.087CC..Hα-helixtrans-60.9-47176.2170.50000110.9Y329 L330 Q335 V336 L337 A435 F438 F439 L442 I811Y329-V333 WeakPolarHBondContact O-CG2 3.42Å; Y329-V333 PolarHBondContact O-N 3.15Å; L330-V333 PolarHBondContact O-N 2.87Å; V333-Q335 PolarHBondContact O-N 2.85Å; V333-V336 PolarHBondContact O-N 3.17Å; V333-L337 HydrophobicContact CG1-CD1 4.04Å; V333-L337 HydrophobicContact CG1-CG 4.32Å; V333-L337 WeakPolarHBondContact O-CG 3.06Å; V333-L337 PolarHBondContact O-N 3.34Å; V333-A435 HydrophobicContact CG2-CB 4.22Å; V333-A435 WeakPolarHBondContact CG2-O 3.16Å; V333-F438 HydrophobicContact CB-CD1 3.9Å; V333-F438 HydrophobicContact CB-CE1 4.19Å; V333-F438 HydrophobicContact CG1-CD1 4Å; V333-F438 HydrophobicContact CG1-CE1 4.18Å; V333-F438 HydrophobicContact CG2-CD1 4.06Å; V333-F439 HydrophobicContact CG1-CB 4.17Å; V333-F439 HydrophobicContact CG1-CD2 4.22Å; V333-F439 HydrophobicContact CG2-CB 4.27Å; V333-L442 HydrophobicContact CG1-CD2 4.3Å; V333-I811 HydrophobicContact CG2-CD1 4Å
334L96.8Very high92.1Very high1 Ų114.4 Ų14.41%0.0059%0.088CC..Hα-helixtrans-64.3-39-179.5-68.4171.4000112.8I321 L330 V336 L337 F338 L373 L416 L442I321-L334 HydrophobicContact CD1-CB 4.31Å; L330-L334 HydrophobicContact CD2-CD1 3.35Å; L330-L334 HydrophobicContact CD2-CG 4.48Å; L330-L334 HydrophobicContact CG-CD1 3.66Å; L330-L334 HydrophobicContact CG-CG 4.44Å; L330-L334 WeakPolarHBondContact O-CB 3.28Å; L330-L334 WeakPolarHBondContact O-CD1 3.21Å; L330-L334 WeakPolarHBondContact O-CG 3.37Å; L330-L334 PolarHBondContact O-N 3.24Å; L334-V336 VanDerWaalsContact C-N 3.31Å; L334-V336 PolarHBondContact O-N 3Å; L334-L337 PolarHBondContact O-N 2.75Å; L334-F338 WeakPolarHBondContact O-CD2 3.24Å; L334-F338 PolarHBondContact O-N 2.83Å; L334-L373 HydrophobicContact CB-CD2 4.09Å; L334-L373 HydrophobicContact CD1-CD2 3.59Å; L334-L373 HydrophobicContact CD2-CD2 3.62Å; L334-L373 HydrophobicContact CG-CD2 3.95Å; L334-L416 HydrophobicContact CD1-CD2 4.09Å; L334-L416 HydrophobicContact CD2-CD2 4.25Å; L334-L442 HydrophobicContact CD2-CD2 3.63Å
335Q96.9Very high92.8Very high5 Ų520 Ų202%0.02311%0.107CC..Hα-helixtrans-60.2-41.4175.6-73.3-74.212.600112.1T319 I321 S331 T332 V333 S339 I827 Y836T319-Q335 PolarHBondContact O-NE2 3.03Å; I321-Q335 HydrophobicContact CD1-CG 3.92Å; S331-Q335 WeakPolarHBondContact O-CG 3.37Å; S331-Q335 PolarHBondContact O-N 2.82Å; T332-Q335 PolarHBondContact O-N 3.13Å; V333-Q335 PolarHBondContact O-N 2.85Å; Q335-S339 PolarHBondContact O-N 2.81Å; Q335-S339 PolarHBondContact O-OG 3.29Å; Q335-I827 HydrophobicContact CB-CD1 4.04Å; Q335-I827 WeakPolarHBondContact O-CD1 3.44Å; Q335-Y836 VanDerWaalsContact CD-CD1 3.45Å; Q335-Y836 HydrophobicContact CG-CD1 4.15Å; Q335-Y836 HydrophobicContact CG-CG 4.28Å
336V97.5Very high93.9Very high0 Ų019.7 Ų19.70%010%0.096CC..Hα-helixtrans-68.4-48.4177.5176.80000110.8T332 V333 L334 F338 S339 F808 A809 I811 C825 I827 F856T332-V336 WeakPolarHBondContact O-CG2 3.29Å; T332-V336 PolarHBondContact O-N 2.78Å; V333-V336 PolarHBondContact O-N 3.17Å; L334-V336 VanDerWaalsContact C-N 3.31Å; L334-V336 PolarHBondContact O-N 3Å; V336-F338 PolarHBondContact O-N 2.81Å; V336-S339 WeakPolarHBondContact O-CB 3.4Å; V336-S339 PolarHBondContact O-N 2.93Å; V336-F808 HydrophobicContact CG1-CE1 4.32Å; V336-A809 HydrophobicContact CG1-CB 3.98Å; V336-A809 HydrophobicContact CG2-CB 4.01Å; V336-I811 HydrophobicContact CG2-CD1 4.17Å; V336-I811 HydrophobicContact CG2-CG1 4.02Å; V336-C825 HydrophobicContact CG2-CB 4.15Å; V336-I827 HydrophobicContact CG2-CD1 4.04Å; V336-I827 HydrophobicContact CG2-CG1 4.24Å; V336-F856 HydrophobicContact CB-CE2 4.48Å; V336-F856 HydrophobicContact CG1-CD1 3.83Å; V336-F856 HydrophobicContact CG1-CD2 3.73Å; V336-F856 HydrophobicContact CG1-CE1 3.89Å; V336-F856 HydrophobicContact CG1-CE2 3.8Å; V336-F856 HydrophobicContact CG1-CG 3.75Å; V336-F856 HydrophobicContact CG1-CZ 3.88Å; V336-F856 HydrophobicContact CG2-CE2 4.46Å
337L96.9Very high94.6Very high0 Ų017 Ų170%08%0.081CC..Hα-helixtrans-58.1-47.9-179.4-70.9-178.1000112.4V333 L334 S339 I340 F343 F439 L442 I443 F460V333-L337 HydrophobicContact CG1-CD1 4.04Å; V333-L337 HydrophobicContact CG1-CG 4.32Å; V333-L337 WeakPolarHBondContact O-CG 3.06Å; V333-L337 PolarHBondContact O-N 3.34Å; L334-L337 PolarHBondContact O-N 2.75Å; L337-S339 PolarHBondContact O-N 2.93Å; L337-I340 WeakPolarHBondContact O-CB 3.43Å; L337-I340 PolarHBondContact O-N 2.94Å; L337-F343 HydrophobicContact CB-CD1 4.3Å; L337-F343 HydrophobicContact CB-CE1 4.48Å; L337-F343 HydrophobicContact CB-CG 4.48Å; L337-F343 HydrophobicContact CD1-CE1 4.27Å; L337-F343 HydrophobicContact CD2-CE1 4.18Å; L337-F343 HydrophobicContact CD2-CE2 4.05Å; L337-F343 HydrophobicContact CD2-CZ 3.85Å; L337-F343 WeakPolarHBondContact O-CB 3.42Å; L337-F439 HydrophobicContact CD2-CD2 4.4Å; L337-F439 HydrophobicContact CD2-CE2 4Å; L337-L442 HydrophobicContact CD1-CD2 3.37Å; L337-L442 HydrophobicContact CD1-CG 4.17Å; L337-I443 HydrophobicContact CD2-CD1 4.47Å; L337-F460 HydrophobicContact CD2-CE2 3.73Å; L337-F460 HydrophobicContact CD2-CZ 3.66Å
338F96.9Very high94.9Very high2 Ų218.8 Ų18.81%0.0099%0.092CC..THydrogen-bonded Turntrans-75-0.4178-77.3-73.1000114.1L334 V336 Q344 Y347 M370 L373 L377L334-F338 WeakPolarHBondContact O-CD2 3.24Å; L334-F338 PolarHBondContact O-N 2.83Å; V336-F338 PolarHBondContact O-N 2.81Å; F338-Q344 WeakPolarHBondContact O-CG 3.47Å; F338-Q344 PolarHBondContact O-NE2 3.28Å; F338-Y347 HydrophobicContact CE1-CD2 4.45Å; F338-M370 HydrophobicContact CE2-CE 4.09Å; F338-M370 HydrophobicContact CZ-CE 3.89Å; F338-M370 WeakPolarHBondContact CZ-O 3.22Å; F338-L373 HydrophobicContact CD2-CD2 4.05Å; F338-L373 HydrophobicContact CD2-CG 4.17Å; F338-L373 HydrophobicContact CE2-CB 4.24Å; F338-L373 HydrophobicContact CE2-CD2 3.45Å; F338-L373 VanDerWaalsContact CE2-CD2 3.45Å; F338-L373 HydrophobicContact CE2-CG 3.71Å; F338-L373 HydrophobicContact CZ-CB 4.43Å; F338-L373 HydrophobicContact CZ-CD2 4.34Å; F338-L373 HydrophobicContact CZ-CG 4.36Å; F338-L377 HydrophobicContact CB-CD1 3.88Å; F338-L377 HydrophobicContact CD2-CD1 3.78Å; F338-L377 HydrophobicContact CG-CD1 4.04Å
339S96.3Very high95Very high13 Ų1321.5 Ų21.59%0.09112%0.121CC..THydrogen-bonded Turntrans-89.7-6.4167.2-59.60000112.5Q335 V336 L337 F808 K829Q335-S339 PolarHBondContact O-N 2.81Å; Q335-S339 PolarHBondContact O-OG 3.29Å; V336-S339 WeakPolarHBondContact O-CB 3.4Å; V336-S339 PolarHBondContact O-N 2.93Å; L337-S339 PolarHBondContact O-N 2.93Å; S339-F808 WeakPolarHBondContact O-CZ 3.44Å; S339-K829 WeakPolarHBondContact OG-CE 3.48Å; S339-K829 PolarHBondContact OG-NZ 3.31Å; S339-K829 VanDerWaalsContact OG-NZ 3.13Å
340I95.9Very high94.9Very high0 Ų024.8 Ų24.80%014%0.138CC..SBendtrans-94128.1178.7-65.8167.7000110.3L337 D342 F343 Q344 F460 Y567 F808L337-I340 WeakPolarHBondContact O-CB 3.43Å; L337-I340 PolarHBondContact O-N 2.94Å; I340-D342 VanDerWaalsContact C-N 3.32Å; I340-D342 HydrophobicContact CG2-CB 4.44Å; I340-D342 PolarHBondContact O-N 2.84Å; I340-F343 HydrophobicContact CB-CD2 4.23Å; I340-F343 HydrophobicContact CG2-CD2 4.14Å; I340-F343 PolarHBondContact O-N 2.85Å; I340-Q344 WeakPolarHBondContact O-CG 3.21Å; I340-Q344 PolarHBondContact O-N 3.07Å; I340-F460 HydrophobicContact CD1-CE1 3.53Å; I340-F460 HydrophobicContact CD1-CE2 4.45Å; I340-F460 HydrophobicContact CD1-CZ 3.28Å; I340-Y567 HydrophobicContact CD1-CD1 4.19Å; I340-Y567 HydrophobicContact CD1-CE1 4.48Å; I340-Y567 HydrophobicContact CD1-CG 4.31Å; I340-Y567 HydrophobicContact CG1-CD1 4.13Å; I340-Y567 HydrophobicContact CG1-CE1 3.93Å; I340-Y567 HydrophobicContact CG2-CD2 3.96Å; I340-Y567 HydrophobicContact CG2-CE2 3.62Å; I340-F808 HydrophobicContact CG1-CE1 3.86Å; I340-F808 HydrophobicContact CG1-CZ 4.19Å
341P93.9Very high94.8Very high56 Ų5625.5 Ų25.536%0.36414%0.142SC..Hα-helixtrans-57.3-35-174.3-28.136.2000115.5Q344 R345 Y567P341-Q344 WeakPolarHBondContact O-CB 3.4Å; P341-Q344 PolarHBondContact O-N 3.41Å; P341-R345 WeakPolarHBondContact O-CB 3.29Å; P341-R345 WeakPolarHBondContact O-CG 3.33Å; P341-R345 PolarHBondContact O-N 3.17Å; P341-Y567 WeakPolarHBondContact CD-OH 3.3Å
342D93.1Very high94.7Very high19 Ų1930.8 Ų30.810%0.10217%0.166CC..Hα-helixtrans-62.7-43.9179.7-61-76.1000112.4I340 Q344 R345 M346 P456 S459 K799I340-D342 VanDerWaalsContact C-N 3.32Å; I340-D342 HydrophobicContact CG2-CB 4.44Å; I340-D342 PolarHBondContact O-N 2.84Å; D342-Q344 VanDerWaalsContact C-N 3.33Å; D342-Q344 PolarHBondContact O-N 3.08Å; D342-R345 PolarHBondContact O-N 3.36Å; D342-R345 IonicContact OD1-CZ 3.61Å; D342-R345 IonicContact OD1-NH2 3.34Å; D342-R345 PolarHBondContact OD1-NH2 3.03Å; D342-M346 WeakPolarHBondContact O-CB 3.46Å; D342-M346 PolarHBondContact O-N 3.43Å; D342-P456 HydrophobicContact CB-CB 4.14Å; D342-S459 PolarHBondContact OD2-OG 3.35Å; D342-K799 IonicContact OD1-NZ 3.09Å; D342-K799 PolarHBondContact OD1-NZ 3.37Å
343F94.8Very high94.5Very high0 Ų038.7 Ų38.70%020%0.196CC..Hα-helixtrans-65-38.6174.3-77.1-97.7000111.7L337 I340 Y347 I443 V446 P456 F460L337-F343 HydrophobicContact CB-CD1 4.3Å; L337-F343 HydrophobicContact CB-CE1 4.48Å; L337-F343 HydrophobicContact CB-CG 4.48Å; L337-F343 HydrophobicContact CD1-CE1 4.27Å; L337-F343 HydrophobicContact CD2-CE1 4.18Å; L337-F343 HydrophobicContact CD2-CE2 4.05Å; L337-F343 HydrophobicContact CD2-CZ 3.85Å; L337-F343 WeakPolarHBondContact O-CB 3.42Å; I340-F343 HydrophobicContact CB-CD2 4.23Å; I340-F343 HydrophobicContact CG2-CD2 4.14Å; I340-F343 PolarHBondContact O-N 2.85Å; F343-Y347 HydrophobicContact CD1-CD2 4.3Å; F343-Y347 AromaticContact CD1-CE2 3.99Å; F343-Y347 HydrophobicContact CD1-CE2 3.99Å; F343-Y347 HydrophobicContact CE1-CE2 4.48Å; F343-Y347 WeakPolarHBondContact O-CD2 3.28Å; F343-Y347 PolarHBondContact O-N 3.47Å; F343-Y347 VanDerWaalsContact O-N 3.07Å; F343-I443 HydrophobicContact CZ-CD1 4.08Å; F343-V446 HydrophobicContact CE1-CG2 4.23Å; F343-P456 HydrophobicContact CD1-CB 4.29Å; F343-P456 HydrophobicContact CD1-CG 4.3Å; F343-P456 HydrophobicContact CD2-CB 3.91Å; F343-P456 HydrophobicContact CE1-CB 4.29Å; F343-P456 HydrophobicContact CE1-CG 4.15Å; F343-P456 HydrophobicContact CE2-CB 3.87Å; F343-P456 WeakPolarHBondContact CE2-O 3.37Å; F343-P456 HydrophobicContact CG-CB 4.1Å; F343-P456 HydrophobicContact CZ-CB 4.07Å; F343-P456 HydrophobicContact CZ-CG 4.27Å; F343-F460 HydrophobicContact CE2-CD2 4.32Å; F343-F460 AromaticContact CE2-CE2 3.43Å; F343-F460 HydrophobicContact CE2-CE2 3.43Å; F343-F460 VanDerWaalsContact CE2-CE2 3.43Å; F343-F460 HydrophobicContact CE2-CZ 4.04Å; F343-F460 AromaticContact CZ-CE2 3.78Å; F343-F460 HydrophobicContact CZ-CE2 3.78Å
344Q95.1Very high94.2Very high63 Ų6339.8 Ų39.829%0.29420%0.201SC..Iπ-helixtrans-64-46.8176.1-60.1-178.9-2.800111.5F338 I340 P341 D342 V348 G349 L378F338-Q344 WeakPolarHBondContact O-CG 3.47Å; F338-Q344 PolarHBondContact O-NE2 3.28Å; I340-Q344 WeakPolarHBondContact O-CG 3.21Å; I340-Q344 PolarHBondContact O-N 3.07Å; P341-Q344 WeakPolarHBondContact O-CB 3.4Å; P341-Q344 PolarHBondContact O-N 3.41Å; D342-Q344 VanDerWaalsContact C-N 3.33Å; D342-Q344 PolarHBondContact O-N 3.08Å; Q344-V348 CarbonylContact O-C 3.6Å; Q344-V348 VanDerWaalsContact O-CA 3.31Å; Q344-V348 WeakPolarHBondContact O-CA 3.48Å; Q344-V348 VanDerWaalsContact O-CB 3.27Å; Q344-V348 WeakPolarHBondContact O-CB 3.3Å; Q344-V348 PolarHBondContact O-N 3.03Å; Q344-G349 PolarHBondContact O-N 2.98Å; Q344-L378 HydrophobicContact CB-CD1 4.21Å; Q344-L378 HydrophobicContact CG-CD1 3.59Å
345R93.6Very high94.1Very high150 Ų15040 Ų4057%0.56620%0.202SC*.Iπ-helixtrans-62.6-47.3178.7-73.2-172.6-65.1-174.30.4111.4P341 D342 G349 N350P341-R345 WeakPolarHBondContact O-CB 3.29Å; P341-R345 WeakPolarHBondContact O-CG 3.33Å; P341-R345 PolarHBondContact O-N 3.17Å; D342-R345 PolarHBondContact O-N 3.36Å; D342-R345 IonicContact OD1-CZ 3.61Å; D342-R345 IonicContact OD1-NH2 3.34Å; D342-R345 PolarHBondContact OD1-NH2 3.03Å; R345-G349 VanDerWaalsContact O-CA 3.29Å; R345-G349 WeakPolarHBondContact O-CA 3.39Å; R345-G349 PolarHBondContact O-N 3.41Å; R345-N350 PolarHBondContact O-N 3.25Å
346M92Very high93.8Very high31 Ų3144 Ų4415%0.15322%0.224CC..Iπ-helixtrans-63.6-51.9-177.2-178.553.817300112.2D342 N350 E454 P456D342-M346 WeakPolarHBondContact O-CB 3.46Å; D342-M346 PolarHBondContact O-N 3.43Å; M346-N350 WeakPolarHBondContact O-CB 3.48Å; M346-N350 PolarHBondContact O-ND2 3.22Å; M346-E454 WeakPolarHBondContact CE-O 3.32Å; M346-P456 HydrophobicContact CB-CG 4.28Å; M346-P456 HydrophobicContact CG-CG 4.2Å
347Y94.3Very high93.4Very high5 Ų552.7 Ų52.72%0.0226%0.258CS..Iπ-helixtrans-96.6-33.2-170.5-64.7-67.1000114.2F338 F343 I354 M370 A371 P456F338-Y347 HydrophobicContact CE1-CD2 4.45Å; F343-Y347 HydrophobicContact CD1-CD2 4.3Å; F343-Y347 AromaticContact CD1-CE2 3.99Å; F343-Y347 HydrophobicContact CD1-CE2 3.99Å; F343-Y347 HydrophobicContact CE1-CE2 4.48Å; F343-Y347 WeakPolarHBondContact O-CD2 3.28Å; F343-Y347 PolarHBondContact O-N 3.47Å; F343-Y347 VanDerWaalsContact O-N 3.07Å; Y347-I354 HydrophobicContact CD1-CD1 4.3Å; Y347-M370 HydrophobicContact CD1-CB 3.54Å; Y347-M370 HydrophobicContact CD2-CB 4.33Å; Y347-M370 HydrophobicContact CD2-CE 4.39Å; Y347-M370 HydrophobicContact CE1-CB 3.65Å; Y347-M370 HydrophobicContact CE1-CG 4.22Å; Y347-M370 HydrophobicContact CE2-CB 4.43Å; Y347-M370 HydrophobicContact CE2-CE 4.04Å; Y347-M370 HydrophobicContact CG-CB 3.91Å; Y347-A371 VanDerWaalsContact O-CB 3.24Å; Y347-A371 WeakPolarHBondContact O-CB 3.35Å; Y347-P456 HydrophobicContact CE2-CG 4.04Å
348V94Very high93.1Very high37 Ų3753 Ų5322%0.22426%0.26CS..Iπ-helixtrans-98.6-37.6-177.7-175.50000111.5Q344 L351 G374 L378Q344-V348 CarbonylContact O-C 3.6Å; Q344-V348 VanDerWaalsContact O-CA 3.31Å; Q344-V348 WeakPolarHBondContact O-CA 3.48Å; Q344-V348 VanDerWaalsContact O-CB 3.27Å; Q344-V348 WeakPolarHBondContact O-CB 3.3Å; Q344-V348 PolarHBondContact O-N 3.03Å; V348-L351 VanDerWaalsContact O-CB 3.29Å; V348-L351 WeakPolarHBondContact O-CB 3.44Å; V348-L351 PolarHBondContact O-N 3.44Å; V348-G374 VanDerWaalsContact CG2-C 3.42Å; V348-L378 HydrophobicContact CG2-CD1 4.02Å
349G92.1Very high92.8Very high61 Ų6155.9 Ų55.963%0.62928%0.279SS*.Iπ-helixtrans-62.6-40.5173.500000112.7Q344 R345Q344-G349 PolarHBondContact O-N 2.98Å; R345-G349 VanDerWaalsContact O-CA 3.29Å; R345-G349 WeakPolarHBondContact O-CA 3.39Å; R345-G349 PolarHBondContact O-N 3.41Å
350N90.2Very high92.5Very high70 Ų7060.8 Ų60.837%0.37430%0.304SS..THydrogen-bonded Turntrans-94.615.7178.2-61.6-43.8000114.2R345 M346 Q352 R353 I354R345-N350 PolarHBondContact O-N 3.25Å; M346-N350 WeakPolarHBondContact O-CB 3.48Å; M346-N350 PolarHBondContact O-ND2 3.22Å; N350-Q352 VanDerWaalsContact C-N 3.32Å; N350-Q352 PolarHBondContact O-N 3.1Å; N350-Q352 VanDerWaalsContact O-N 3.17Å; N350-R353 WeakPolarHBondContact O-CB 3.44Å; N350-R353 PolarHBondContact O-N 2.88Å; N350-I354 HydrophobicContact CB-CD1 4.3Å; N350-I354 HydrophobicContact CB-CG1 4.4Å; N350-I354 WeakPolarHBondContact O-CG1 3.29Å; N350-I354 PolarHBondContact O-N 3.42Å
351L92.5Very high92.2Very high16 Ų1663.4 Ų63.48%0.08432%0.318CS..Hα-helixtrans-50.7-46.2-171.5177.5147.8000113.8V348 R353 I354 F355 H375V348-L351 VanDerWaalsContact O-CB 3.29Å; V348-L351 WeakPolarHBondContact O-CB 3.44Å; V348-L351 PolarHBondContact O-N 3.44Å; L351-R353 PolarHBondContact O-N 3.3Å; L351-I354 PolarHBondContact O-N 3.24Å; L351-F355 HydrophobicContact CD1-CE2 4.25Å; L351-F355 HydrophobicContact CD1-CZ 4.18Å; L351-F355 HydrophobicContact CD2-CD2 3.72Å; L351-F355 HydrophobicContact CD2-CE2 3.62Å; L351-F355 HydrophobicContact CD2-CG 4.46Å; L351-F355 HydrophobicContact CD2-CZ 4.27Å; L351-F355 HydrophobicContact CG-CD2 4.19Å; L351-F355 HydrophobicContact CG-CE1 4.41Å; L351-F355 HydrophobicContact CG-CE2 3.86Å; L351-F355 HydrophobicContact CG-CZ 3.98Å; L351-F355 WeakPolarHBondContact O-CG 3.27Å; L351-F355 PolarHBondContact O-N 3.44Å; L351-H375 HydrophobicContact CD1-CB 3.52Å
352Q91.6Very high92.2Very high113 Ų11360.9 Ų60.953%0.52830%0.301SS..Hα-helixtrans-63.3-44.6-178.8-67.1-61-15.700111.6N350 I354 F355 D356N350-Q352 VanDerWaalsContact C-N 3.32Å; N350-Q352 PolarHBondContact O-N 3.1Å; N350-Q352 VanDerWaalsContact O-N 3.17Å; Q352-I354 PolarHBondContact O-N 2.77Å; Q352-F355 PolarHBondContact O-N 3Å; Q352-D356 WeakPolarHBondContact O-CB 3.34Å; Q352-D356 PolarHBondContact O-N 3.06Å
353R91.9Very high92.1Very high170 Ų17060 Ų6064%0.64230%0.297SS*.Hα-helixtrans-61.5-46.3177.3-174.5176.8178.1164-1.6110.9N350 L351 F355 D356 Y357N350-R353 WeakPolarHBondContact O-CB 3.44Å; N350-R353 PolarHBondContact O-N 2.88Å; L351-R353 PolarHBondContact O-N 3.3Å; R353-F355 VanDerWaalsContact C-N 3.32Å; R353-F355 PolarHBondContact O-N 3.5Å; R353-D356 PolarHBondContact O-N 3.35Å; R353-Y357 HydrophobicContact CG-CD2 3.67Å; R353-Y357 HydrophobicContact CG-CE2 3.83Å; R353-Y357 VanDerWaalsContact O-CD2 3.28Å; R353-Y357 WeakPolarHBondContact O-CD2 3.5Å; R353-Y357 PolarHBondContact O-N 2.97Å
354I92.6Very high91.9Very high24 Ų2462.8 Ų62.812%0.12331%0.31CS..Hα-helixtrans-58.1-47.8178-66.6169.4000110.1Y347 N350 L351 Q352 D356 Y357 S358 A367 A371Y347-I354 HydrophobicContact CD1-CD1 4.3Å; N350-I354 HydrophobicContact CB-CD1 4.3Å; N350-I354 HydrophobicContact CB-CG1 4.4Å; N350-I354 WeakPolarHBondContact O-CG1 3.29Å; N350-I354 PolarHBondContact O-N 3.42Å; L351-I354 PolarHBondContact O-N 3.24Å; Q352-I354 PolarHBondContact O-N 2.77Å; I354-D356 PolarHBondContact O-N 3.04Å; I354-Y357 PolarHBondContact O-N 2.89Å; I354-S358 PolarHBondContact O-N 3.29Å; I354-A367 HydrophobicContact CG2-CB 3.88Å; I354-A371 HydrophobicContact CB-CB 4.49Å; I354-A371 HydrophobicContact CD1-CB 4.01Å; I354-A371 HydrophobicContact CG2-CB 4.11Å
355F93.5Very high91.8Very high4 Ų461.4 Ų61.42%0.01830%0.304CS..Hα-helixtrans-68.6-32.1-179.6-69-3000113F32 R60 L351 Q352 R353 S358 T368 A371F32-F355 HydrophobicContact CB-CD2 4.44Å; F32-F355 HydrophobicContact CB-CE2 4.05Å; F32-F355 HydrophobicContact CB-CZ 4.18Å; F32-F355 HydrophobicContact CD1-CB 4.16Å; F32-F355 AromaticContact CD1-CD1 3.62Å; F32-F355 HydrophobicContact CD1-CD1 3.62Å; F32-F355 AromaticContact CD1-CD2 3.98Å; F32-F355 HydrophobicContact CD1-CD2 3.98Å; F32-F355 AromaticContact CD1-CE1 3.88Å; F32-F355 HydrophobicContact CD1-CE1 3.88Å; F32-F355 HydrophobicContact CD1-CE2 4.22Å; F32-F355 AromaticContact CD1-CG 3.67Å; F32-F355 HydrophobicContact CD1-CG 3.67Å; F32-F355 HydrophobicContact CD1-CZ 4.17Å; F32-F355 HydrophobicContact CE1-CB 4.07Å; F32-F355 HydrophobicContact CE1-CD1 4.05Å; F32-F355 HydrophobicContact CE1-CG 4.06Å; F32-F355 HydrophobicContact CG-CD2 4.49Å; F32-F355 WeakPolarHBondContact O-CZ 3.48Å; R60-F355 VanDerWaalsContact CZ-CB 3.47Å; R60-F355 PolarHBondContact NH1-O 3.02Å; L351-F355 HydrophobicContact CD1-CE2 4.25Å; L351-F355 HydrophobicContact CD1-CZ 4.18Å; L351-F355 HydrophobicContact CD2-CD2 3.72Å; L351-F355 HydrophobicContact CD2-CE2 3.62Å; L351-F355 HydrophobicContact CD2-CG 4.46Å; L351-F355 HydrophobicContact CD2-CZ 4.27Å; L351-F355 HydrophobicContact CG-CD2 4.19Å; L351-F355 HydrophobicContact CG-CE1 4.41Å; L351-F355 HydrophobicContact CG-CE2 3.86Å; L351-F355 HydrophobicContact CG-CZ 3.98Å; L351-F355 WeakPolarHBondContact O-CG 3.27Å; L351-F355 PolarHBondContact O-N 3.44Å; Q352-F355 PolarHBondContact O-N 3Å; R353-F355 VanDerWaalsContact C-N 3.32Å; R353-F355 PolarHBondContact O-N 3.5Å; F355-S358 PolarHBondContact O-OG 3.48Å; F355-T368 HydrophobicContact CD1-CG2 4.02Å; F355-T368 HydrophobicContact CE1-CG2 3.9Å; F355-A371 HydrophobicContact CE1-CB 3.88Å
356D90.4Very high91.7Very high89 Ų8954.9 Ų54.948%0.47628%0.28SS..Hα-helixtrans-68.1-45.2177.3-70.1-20.8000111.1R60 K64 Q352 R353 I354R60-D356 IonicContact CZ-OD1 3.84Å; R60-D356 VanDerWaalsContact NH1-N 3.14Å; R60-D356 IonicContact NH1-OD1 3.86Å; R60-D356 PolarHBondContact NH1-OD1 2.87Å; R60-D356 IonicContact NH2-OD1 2.67Å; K64-D356 PolarHBondContact NZ-O 2.98Å; Q352-D356 WeakPolarHBondContact O-CB 3.34Å; Q352-D356 PolarHBondContact O-N 3.06Å; R353-D356 PolarHBondContact O-N 3.35Å; I354-D356 PolarHBondContact O-N 3.04Å
357Y88.9Confident91.8Very high184 Ų18454.8 Ų54.872%0.72228%0.284SS*.Hα-helixtrans-87.52-179.1-70.1-77.6000114.8R353 I354R353-Y357 HydrophobicContact CG-CD2 3.67Å; R353-Y357 HydrophobicContact CG-CE2 3.83Å; R353-Y357 VanDerWaalsContact O-CD2 3.28Å; R353-Y357 WeakPolarHBondContact O-CD2 3.5Å; R353-Y357 PolarHBondContact O-N 2.97Å; I354-Y357 PolarHBondContact O-N 2.89Å
358S91.9Very high91.8Very high6 Ų654.6 Ų54.64%0.04228%0.283CS..  trans-48.9153.4175.256.70000113.6K64 I354 F355K64-S358 WeakPolarHBondContact CE-O 3.49Å; K64-S358 PolarHBondContact NZ-O 2.86Å; K64-S358 PolarHBondContact NZ-OG 3.46Å; I354-S358 PolarHBondContact O-N 3.29Å; F355-S358 PolarHBondContact O-OG 3.48Å
359P90.7Very high91.9Very high62 Ų6252.9 Ų52.940%0.40327%0.273SS..  trans-68.8174.5168.827.8-32.9000111.9D361 D365P359-D361 PolarHBondContact O-N 3.47Å; P359-D365 HydrophobicContact CG-CB 3.64Å
360L88.9Confident92.1Very high117 Ų11750 Ų5061%0.61324%0.243SC*.SBendtrans-61.6-28.7176.7-68.3176.1000113L51 T65 P362L51-L360 WeakPolarHBondContact CD1-O 3.3Å; T65-L360 HydrophobicContact CG2-CD2 3.83Å; L360-P362 WeakPolarHBondContact O-CD 3.38Å
361D90.9Very high92.4Very high55 Ų5546.7 Ų46.729%0.29423%0.225SC..  trans-11194.1170-175.9-6.1000110.2L51 P359 T363 Q364L51-D361 HydrophobicContact CD1-CB 4.47Å; P359-D361 PolarHBondContact O-N 3.47Å; D361-T363 PolarHBondContact O-N 2.93Å; D361-T363 VanDerWaalsContact OD1-CB 3.3Å; D361-T363 WeakPolarHBondContact OD1-CB 3.45Å; D361-T363 WeakPolarHBondContact OD1-CG2 3.33Å; D361-T363 PolarHBondContact OD1-N 3.34Å; D361-T363 PolarHBondContact OD1-OG1 2.92Å; D361-Q364 PolarHBondContact O-N 3.42Å
362P92.9Very high92.6Very high3 Ų346 Ų462%0.01922%0.222CC..G310 helixtrans-72.5-10.3-178.4-10.325.7000113.3A31 F32 L360 Q364 D365 T368 Q369A31-P362 HydrophobicContact CB-CB 4.34Å; A31-P362 HydrophobicContact CB-CG 4.35Å; F32-P362 HydrophobicContact CD1-CB 4.37Å; F32-P362 HydrophobicContact CE1-CB 3.69Å; F32-P362 HydrophobicContact CE1-CG 3.87Å; F32-P362 HydrophobicContact CE2-CB 4.33Å; F32-P362 HydrophobicContact CE2-CG 3.74Å; F32-P362 HydrophobicContact CZ-CB 3.68Å; F32-P362 HydrophobicContact CZ-CG 3.28Å; L360-P362 WeakPolarHBondContact O-CD 3.38Å; P362-Q364 VanDerWaalsContact C-N 3.25Å; P362-Q364 PolarHBondContact O-N 2.93Å; P362-D365 PolarHBondContact O-N 3.28Å; P362-T368 HydrophobicContact CB-CG2 3.83Å; P362-Q369 PolarHBondContact O-NE2 3.36Å
363T90.8Very high92.8Very high1 Ų140.7 Ų40.71%0.00620%0.197CC..G310 helixtrans-73.3-23.3179.676.80000112.2Y26 A31 L51 D361 M415Y26-T363 HydrophobicContact CD1-CG2 4.17Å; Y26-T363 HydrophobicContact CE1-CG2 3.9Å; Y26-T363 HydrophobicContact CE2-CG2 4.3Å; Y26-T363 HydrophobicContact CG-CG2 4.48Å; Y26-T363 PolarHBondContact OH-OG1 3.28Å; A31-T363 HydrophobicContact CB-CG2 3.95Å; L51-T363 HydrophobicContact CD2-CG2 3.84Å; D361-T363 PolarHBondContact O-N 2.93Å; D361-T363 VanDerWaalsContact OD1-CB 3.3Å; D361-T363 WeakPolarHBondContact OD1-CB 3.45Å; D361-T363 WeakPolarHBondContact OD1-CG2 3.33Å; D361-T363 PolarHBondContact OD1-N 3.34Å; D361-T363 PolarHBondContact OD1-OG1 2.92Å; T363-M415 HydrophobicContact CG2-CE 3.82Å; T363-M415 HydrophobicContact CG2-SD 3.63Å
364Q90Very high93Very high58 Ų5832.6 Ų32.627%0.27117%0.166SC..G310 helixtrans-97.51.4178.1-57.8-55.2-61.900112.8D361 P362 L419D361-Q364 PolarHBondContact O-N 3.42Å; P362-Q364 VanDerWaalsContact C-N 3.25Å; P362-Q364 PolarHBondContact O-N 2.93Å; Q364-L419 WeakPolarHBondContact O-CD1 3.15Å
365D93.1Very high93.1Very high34 Ų3434.2 Ų34.218%0.18217%0.173CC..  trans-95.6121.4-177.6-179.846.3000112.1P359 P362 T368 Q369P359-D365 HydrophobicContact CG-CB 3.64Å; P362-D365 PolarHBondContact O-N 3.28Å; D365-T368 PolarHBondContact O-N 3.37Å; D365-T368 WeakPolarHBondContact OD2-CB 3.37Å; D365-T368 PolarHBondContact OD2-N 3.47Å; D365-T368 PolarHBondContact OD2-OG1 3Å; D365-Q369 WeakPolarHBondContact O-CG 3.18Å; D365-Q369 PolarHBondContact O-N 3.34Å
366F93.3Very high93.1Very high12 Ų1234 Ų345%0.05317%0.172CC..Hα-helixtrans-63.5-47.2-176.3-179.5-100.5000111.9T368 Q369 M370 L419 V420 L442 L445 V446 N449F366-T368 PolarHBondContact O-N 2.94Å; F366-Q369 PolarHBondContact O-N 3.27Å; F366-M370 HydrophobicContact CD1-CG 4.15Å; F366-M370 HydrophobicContact CD2-CG 4.3Å; F366-M370 HydrophobicContact CE1-CG 3.78Å; F366-M370 HydrophobicContact CE2-CG 3.93Å; F366-M370 HydrophobicContact CE2-SD 4.26Å; F366-M370 HydrophobicContact CG-CG 4.41Å; F366-M370 HydrophobicContact CZ-CE 4.44Å; F366-M370 HydrophobicContact CZ-CG 3.66Å; F366-M370 HydrophobicContact CZ-SD 4.09Å; F366-M370 WeakPolarHBondContact O-CB 3.47Å; F366-M370 VanDerWaalsContact O-CG 3.31Å; F366-M370 WeakPolarHBondContact O-CG 3.33Å; F366-M370 PolarHBondContact O-N 3.13Å; F366-L419 HydrophobicContact CB-CD2 4.39Å; F366-V420 HydrophobicContact CD2-CG1 4.49Å; F366-V420 HydrophobicContact CE2-CG1 4.14Å; F366-L442 HydrophobicContact CE2-CD1 4.12Å; F366-L442 HydrophobicContact CZ-CD1 4.17Å; F366-L445 HydrophobicContact CE2-CB 3.95Å; F366-L445 HydrophobicContact CE2-CD1 4.37Å; F366-L445 HydrophobicContact CZ-CB 4.08Å; F366-V446 HydrophobicContact CE1-CG2 4.04Å; F366-V446 HydrophobicContact CZ-CG2 3.84Å; F366-N449 HydrophobicContact CD1-CB 3.59Å; F366-N449 HydrophobicContact CE1-CB 4.15Å; F366-N449 HydrophobicContact CG-CB 4.33Å
367A93.6Very high93.3Very high30 Ų3029.9 Ų29.925%0.24815%0.15CC..Hα-helixtrans-62.7-43.5-178.500000111.5I354 M370 A371I354-A367 HydrophobicContact CG2-CB 3.88Å; A367-M370 PolarHBondContact O-N 3.22Å; A367-A371 VanDerWaalsContact O-CB 3.29Å; A367-A371 WeakPolarHBondContact O-CB 3.27Å; A367-A371 PolarHBondContact O-N 2.94Å
368T94.9Very high93.6Very high0 Ų022.3 Ų22.30%012%0.122CC..Hα-helixtrans-61.6-46.1176-63.50000112F32 F355 P362 D365 F366 A371 K372F32-T368 HydrophobicContact CD1-CG2 3.59Å; F32-T368 HydrophobicContact CE1-CG2 3.73Å; F355-T368 HydrophobicContact CD1-CG2 4.02Å; F355-T368 HydrophobicContact CE1-CG2 3.9Å; P362-T368 HydrophobicContact CB-CG2 3.83Å; D365-T368 PolarHBondContact O-N 3.37Å; D365-T368 WeakPolarHBondContact OD2-CB 3.37Å; D365-T368 PolarHBondContact OD2-N 3.47Å; D365-T368 PolarHBondContact OD2-OG1 3Å; F366-T368 PolarHBondContact O-N 2.94Å; T368-A371 PolarHBondContact O-N 3.49Å; T368-K372 VanDerWaalsContact O-CB 3.31Å; T368-K372 WeakPolarHBondContact O-CB 3.32Å; T368-K372 PolarHBondContact O-N 2.71Å
369Q95.9Very high93.5Very high2 Ų224 Ų241%0.00913%0.134CC..Hα-helixtrans-68.6-35.5-179.7-65.6-49.2-55.100112.6A31 P362 D365 F366 L373 M415 L416 L419A31-Q369 PolarHBondContact O-NE2 2.97Å; P362-Q369 PolarHBondContact O-NE2 3.36Å; D365-Q369 WeakPolarHBondContact O-CG 3.18Å; D365-Q369 PolarHBondContact O-N 3.34Å; F366-Q369 PolarHBondContact O-N 3.27Å; Q369-L373 WeakPolarHBondContact O-CB 3.46Å; Q369-L373 PolarHBondContact O-N 2.99Å; Q369-M415 HydrophobicContact CG-CG 4.36Å; Q369-M415 PolarHBondContact NE2-SD 3.31Å; Q369-M415 VanDerWaalsContact OE1-CG 3.25Å; Q369-M415 PolarHBondContact OE1-SD 2.79Å; Q369-L416 HydrophobicContact CB-CB 4.39Å; Q369-L416 HydrophobicContact CB-CD1 3.66Å; Q369-L419 HydrophobicContact CB-CD2 4.08Å; Q369-L419 HydrophobicContact CG-CD2 3.79Å
370M96Very high93.3Very high0 Ų021.6 Ų21.60%012%0.12CC..Hα-helixtrans-66.6-42.9172.5-71.8-63.9-7500111.9F338 Y347 F366 A367 L373 G374 L416F338-M370 HydrophobicContact CE2-CE 4.09Å; F338-M370 HydrophobicContact CZ-CE 3.89Å; F338-M370 WeakPolarHBondContact CZ-O 3.22Å; Y347-M370 HydrophobicContact CD1-CB 3.54Å; Y347-M370 HydrophobicContact CD2-CB 4.33Å; Y347-M370 HydrophobicContact CD2-CE 4.39Å; Y347-M370 HydrophobicContact CE1-CB 3.65Å; Y347-M370 HydrophobicContact CE1-CG 4.22Å; Y347-M370 HydrophobicContact CE2-CB 4.43Å; Y347-M370 HydrophobicContact CE2-CE 4.04Å; Y347-M370 HydrophobicContact CG-CB 3.91Å; F366-M370 HydrophobicContact CD1-CG 4.15Å; F366-M370 HydrophobicContact CD2-CG 4.3Å; F366-M370 HydrophobicContact CE1-CG 3.78Å; F366-M370 HydrophobicContact CE2-CG 3.93Å; F366-M370 HydrophobicContact CE2-SD 4.26Å; F366-M370 HydrophobicContact CG-CG 4.41Å; F366-M370 HydrophobicContact CZ-CE 4.44Å; F366-M370 HydrophobicContact CZ-CG 3.66Å; F366-M370 HydrophobicContact CZ-SD 4.09Å; F366-M370 WeakPolarHBondContact O-CB 3.47Å; F366-M370 VanDerWaalsContact O-CG 3.31Å; F366-M370 WeakPolarHBondContact O-CG 3.33Å; F366-M370 PolarHBondContact O-N 3.13Å; A367-M370 PolarHBondContact O-N 3.22Å; M370-L373 PolarHBondContact O-N 3.39Å; M370-G374 PolarHBondContact O-N 3.45Å; M370-L416 HydrophobicContact CG-CD1 4.41Å; M370-L416 HydrophobicContact SD-CD1 4.01Å; M370-L416 HydrophobicContact SD-CD2 4.24Å
371A95.9Very high93.1Very high0 Ų020 Ų200%011%0.11CC..Hα-helixtrans-63.8-43.7175.700000112.2Y347 I354 F355 A367 T368 L373 G374 H375Y347-A371 VanDerWaalsContact O-CB 3.24Å; Y347-A371 WeakPolarHBondContact O-CB 3.35Å; I354-A371 HydrophobicContact CB-CB 4.49Å; I354-A371 HydrophobicContact CD1-CB 4.01Å; I354-A371 HydrophobicContact CG2-CB 4.11Å; F355-A371 HydrophobicContact CE1-CB 3.88Å; A367-A371 VanDerWaalsContact O-CB 3.29Å; A367-A371 WeakPolarHBondContact O-CB 3.27Å; A367-A371 PolarHBondContact O-N 2.94Å; T368-A371 PolarHBondContact O-N 3.49Å; A371-L373 PolarHBondContact O-N 2.98Å; A371-G374 PolarHBondContact O-N 2.66Å; A371-H375 WeakPolarHBondContact O-CB 3.47Å; A371-H375 PolarHBondContact O-N 3.37Å
372K96.4Very high92.9Very high3 Ų319.3 Ų19.31%0.01310%0.103CC..Hα-helixtrans-56.7-48.2173.3168.4176.1163176.30111.5E29 C30 F32 S33 F34 T368 H375 G376E29-K372 WeakPolarHBondContact OE1-CE 3.31Å; E29-K372 IonicContact OE1-NZ 2.7Å; E29-K372 PolarHBondContact OE1-NZ 3.38Å; C30-K372 PolarHBondContact O-NZ 3.11Å; F32-K372 WeakPolarHBondContact O-CB 3.37Å; F32-K372 WeakPolarHBondContact O-CG 3.46Å; S33-K372 WeakPolarHBondContact O-CE 3.37Å; S33-K372 PolarHBondContact O-NZ 3.28Å; S33-K372 VanDerWaalsContact O-NZ 3.13Å; F34-K372 HydrophobicContact CD2-CG 4.45Å; F34-K372 HydrophobicContact CE2-CG 4Å; F34-K372 WeakPolarHBondContact CE2-O 3.47Å; F34-K372 HydrophobicContact CZ-CG 4.13Å; T368-K372 VanDerWaalsContact O-CB 3.31Å; T368-K372 WeakPolarHBondContact O-CB 3.32Å; T368-K372 PolarHBondContact O-N 2.71Å; K372-H375 PolarHBondContact O-N 3.07Å; K372-G376 PolarHBondContact O-N 2.85Å
373L96.3Very high92.5Very high1 Ų119.3 Ų19.31%0.00510%0.103CC..Hα-helixtrans-62.4-50.3178175.363.8000111.7F34 L334 F338 Q369 M370 A371 H375 G376 L377 I411 P413 L416F34-L373 HydrophobicContact CZ-CD1 4.31Å; L334-L373 HydrophobicContact CB-CD2 4.09Å; L334-L373 HydrophobicContact CD1-CD2 3.59Å; L334-L373 HydrophobicContact CD2-CD2 3.62Å; L334-L373 HydrophobicContact CG-CD2 3.95Å; F338-L373 HydrophobicContact CD2-CD2 4.05Å; F338-L373 HydrophobicContact CD2-CG 4.17Å; F338-L373 HydrophobicContact CE2-CB 4.24Å; F338-L373 HydrophobicContact CE2-CD2 3.45Å; F338-L373 VanDerWaalsContact CE2-CD2 3.45Å; F338-L373 HydrophobicContact CE2-CG 3.71Å; F338-L373 HydrophobicContact CZ-CB 4.43Å; F338-L373 HydrophobicContact CZ-CD2 4.34Å; F338-L373 HydrophobicContact CZ-CG 4.36Å; Q369-L373 WeakPolarHBondContact O-CB 3.46Å; Q369-L373 PolarHBondContact O-N 2.99Å; M370-L373 PolarHBondContact O-N 3.39Å; A371-L373 PolarHBondContact O-N 2.98Å; L373-H375 VanDerWaalsContact C-N 3.29Å; L373-H375 PolarHBondContact O-N 3.28Å; L373-G376 WeakPolarHBondContact O-CA 3.36Å; L373-G376 PolarHBondContact O-N 3.33Å; L373-L377 HydrophobicContact CD1-CD1 4.01Å; L373-L377 HydrophobicContact CD1-CG 4.12Å; L373-L377 HydrophobicContact CG-CD1 4.11Å; L373-L377 WeakPolarHBondContact O-CG 3.35Å; L373-L377 PolarHBondContact O-N 3.18Å; L373-I411 HydrophobicContact CD1-CD1 3.54Å; L373-P413 HydrophobicContact CD1-CB 4.26Å; L373-L416 HydrophobicContact CB-CD2 4.24Å; L373-L416 HydrophobicContact CD2-CD2 3.29Å; L373-L416 HydrophobicContact CG-CD2 4.32Å
374G95.6Very high92Very high0 Ų026.3 Ų26.30%013%0.134CC..Hα-helixtrans-58.4-42.4179.400000112.3V348 M370 A371 L377 L378V348-G374 VanDerWaalsContact CG2-C 3.42Å; M370-G374 PolarHBondContact O-N 3.45Å; A371-G374 PolarHBondContact O-N 2.66Å; G374-L377 PolarHBondContact O-N 2.97Å; G374-L378 WeakPolarHBondContact O-CB 3.43Å; G374-L378 WeakPolarHBondContact O-CG 3.16Å; G374-L378 PolarHBondContact O-N 3.17Å
375H95.4Very high91.2Very high57 Ų5727.5 Ų27.526%0.26415%0.147SC..Hα-helixtrans-63.1-43173.3-172.874.7000112.2L351 A371 K372 L373 L377 L378 S379L351-H375 HydrophobicContact CD1-CB 3.52Å; A371-H375 WeakPolarHBondContact O-CB 3.47Å; A371-H375 PolarHBondContact O-N 3.37Å; K372-H375 PolarHBondContact O-N 3.07Å; L373-H375 VanDerWaalsContact C-N 3.29Å; L373-H375 PolarHBondContact O-N 3.28Å; H375-L377 VanDerWaalsContact C-N 3.27Å; H375-L377 PolarHBondContact O-N 3.31Å; H375-L378 PolarHBondContact O-N 3.44Å; H375-S379 WeakPolarHBondContact O-CB 3.27Å; H375-S379 PolarHBondContact O-N 3.34Å; H375-S379 PolarHBondContact O-OG 3.43Å
376G93.7Very high89.7Confident0 Ų027.6 Ų27.60%015%0.149CC..Hα-helixtrans-59.1-38.6175.900000113.1T319 K372 L373T319-G376 PolarHBondContact OG1-O 3.39Å; T319-G376 VanDerWaalsContact OG1-O 3.13Å; K372-G376 PolarHBondContact O-N 2.85Å; L373-G376 WeakPolarHBondContact O-CA 3.36Å; L373-G376 PolarHBondContact O-N 3.33Å
377L94.6Very high87.9Confident2 Ų234 Ų341%0.0118%0.181CC..Hα-helixtrans-76.8-37.7179.5-67.6176.3000113.5G317 T319 I321 F338 L373 G374 H375 I411G317-L377 VanDerWaalsContact CA-O 3.31Å; G317-L377 WeakPolarHBondContact CA-O 3.43Å; G317-L377 PolarHBondContact N-O 3.17Å; G317-L377 VanDerWaalsContact N-O 3.13Å; T319-L377 HydrophobicContact CG2-CD2 4.34Å; T319-L377 PolarHBondContact OG1-O 3.1Å; I321-L377 HydrophobicContact CD1-CD1 4.49Å; I321-L377 HydrophobicContact CD1-CD2 4.09Å; I321-L377 HydrophobicContact CG1-CD2 3.88Å; F338-L377 HydrophobicContact CB-CD1 3.88Å; F338-L377 HydrophobicContact CD2-CD1 3.78Å; F338-L377 HydrophobicContact CG-CD1 4.04Å; L373-L377 HydrophobicContact CD1-CD1 4.01Å; L373-L377 HydrophobicContact CD1-CG 4.12Å; L373-L377 HydrophobicContact CG-CD1 4.11Å; L373-L377 WeakPolarHBondContact O-CG 3.35Å; L373-L377 PolarHBondContact O-N 3.18Å; G374-L377 PolarHBondContact O-N 2.97Å; H375-L377 VanDerWaalsContact C-N 3.27Å; H375-L377 PolarHBondContact O-N 3.31Å; L377-I411 HydrophobicContact CD2-CD1 3.55Å; L377-I411 HydrophobicContact CD2-CG1 4.31Å; L377-I411 HydrophobicContact CG-CD1 3.83Å
378L94.6Very high85.7Confident26 Ų2641.3 Ų41.314%0.13621%0.207CC..Hα-helixtrans-103.8-18.1-168.5-59.3173.4000114.2S316 Q344 V348 G374 H375 G380S316-L378 WeakPolarHBondContact CA-O 3.03Å; S316-L378 VanDerWaalsContact CB-O 3.27Å; S316-L378 WeakPolarHBondContact CB-O 3.48Å; S316-L378 PolarHBondContact OG-O 2.85Å; Q344-L378 HydrophobicContact CB-CD1 4.21Å; Q344-L378 HydrophobicContact CG-CD1 3.59Å; V348-L378 HydrophobicContact CG2-CD1 4.02Å; G374-L378 WeakPolarHBondContact O-CB 3.43Å; G374-L378 WeakPolarHBondContact O-CG 3.16Å; G374-L378 PolarHBondContact O-N 3.17Å; H375-L378 PolarHBondContact O-N 3.44Å; L378-G380 VanDerWaalsContact C-N 3.33Å; L378-G380 PolarHBondContact O-N 3.23Å
379S91.1Very high83.3Confident40 Ų4045.3 Ų45.328%0.2824%0.235SC..SBendtrans-69.5-27.8-178.462.70000114H375 Q381H375-S379 WeakPolarHBondContact O-CB 3.27Å; H375-S379 PolarHBondContact O-N 3.34Å; H375-S379 PolarHBondContact O-OG 3.43Å; S379-Q381 PolarHBondContact O-N 2.85Å; S379-Q381 PolarHBondContact OG-N 3.2Å
380G86.1Confident81Confident12 Ų1248.2 Ų48.212%0.12425%0.249CC..SBendtrans77-1.6-171.300000114.5L378 Y382 S383L378-G380 VanDerWaalsContact C-N 3.33Å; L378-G380 PolarHBondContact O-N 3.23Å; G380-Y382 VanDerWaalsContact C-N 3.28Å; G380-Y382 PolarHBondContact O-N 3.24Å; G380-S383 CarbonylContact O-C 3.54Å; G380-S383 PolarHBondContact O-N 3.47Å
381Q84.8Confident78.5Confident83 Ų8352.3 Ų52.339%0.38827%0.27SS..THydrogen-bonded Turntrans-63-35.4179.5-68.4-179-3.500112.6S379 K384S379-Q381 PolarHBondContact O-N 2.85Å; S379-Q381 PolarHBondContact OG-N 3.2Å; Q381-K384 VanDerWaalsContact O-CE 3.25Å; Q381-K384 WeakPolarHBondContact O-CE 3.41Å
382Y85.6Confident76.1Confident41 Ų4158.2 Ų58.216%0.16130%0.301CS..THydrogen-bonded Turntrans-97.711.2-178.6-51.2-77.3000113F34 G380 I411F34-Y382 HydrophobicContact CB-CD1 4.37Å; F34-Y382 HydrophobicContact CB-CE1 3.72Å; F34-Y382 HydrophobicContact CB-CE2 4.33Å; F34-Y382 HydrophobicContact CD2-CE2 4.11Å; F34-Y382 PolarHBondContact N-OH 3.4Å; F34-Y382 VanDerWaalsContact N-OH 3.15Å; G380-Y382 VanDerWaalsContact C-N 3.28Å; G380-Y382 PolarHBondContact O-N 3.24Å; Y382-I411 HydrophobicContact CD1-CG2 4.22Å; Y382-I411 HydrophobicContact CD2-CG2 3.82Å; Y382-I411 HydrophobicContact CG-CG2 3.6Å
383S85.3Confident73.6Confident3 Ų362.5 Ų62.52%0.02132%0.321CS..  trans-133.272.7178-173.30000109.9F314 G315 Y318 G380 Q408F314-S383 VanDerWaalsContact CA-OG 3.28Å; F314-S383 WeakPolarHBondContact CA-OG 3.42Å; G315-S383 PolarHBondContact N-O 2.85Å; G315-S383 PolarHBondContact N-OG 3.37Å; G315-S383 WeakPolarHBondContact O-CB 3.36Å; Y318-S383 WeakPolarHBondContact O-CB 3.45Å; Y318-S383 PolarHBondContact O-OG 2.83Å; G380-S383 CarbonylContact O-C 3.54Å; G380-S383 PolarHBondContact O-N 3.47Å; S383-Q408 PolarHBondContact OG-NE2 3.4Å
384K80.4Confident71Confident148 Ų14866.2 Ų66.264%0.64334%0.338SS*.  trans-110.2139.6179.4-66.5177.3-178.5170.10110.2Q381Q381-K384 VanDerWaalsContact O-CE 3.25Å; Q381-K384 WeakPolarHBondContact O-CE 3.41Å
385P71.8Confident68.6Low84 Ų8471.1 Ų71.155%0.54537%0.367SS..PPolyproline II helixtrans-65.3154.5171.229.6-34.3000110.4F314F314-P385 HydrophobicContact CD2-CB 4.15Å; F314-P385 HydrophobicContact CE2-CB 4.5Å; F314-P385 HydrophobicContact CG-CB 4.37Å
386P63.4Low66Low36 Ų3676.3 Ų76.323%0.23439%0.394CS..PPolyproline II helixtrans-56.7149.8174.322.4-31.3000111.5E390 H406P386-E390 WeakPolarHBondContact CA-OE2 3.36Å; P386-E390 HydrophobicContact CB-CB 4.46Å; P386-E390 WeakPolarHBondContact CB-OE2 3.33Å; P386-H406 HydrophobicContact CB-CB 4.25Å; P386-H406 HydrophobicContact CG-CB 4.41Å
387M55.7Low63.6Low146 Ų14682.7 Ų82.772%0.71942%0.422SS*.PPolyproline II helixtrans-69.2151.8-175.7-72.1-159.3-179.900111.1S389 E390 L391M387-S389 PolarHBondContact O-N 3.12Å; M387-E390 PolarHBondContact N-OE2 3.48Å; M387-E390 WeakPolarHBondContact O-CB 3.35Å; M387-E390 PolarHBondContact O-N 3.49Å; M387-L391 PolarHBondContact O-N 3.4Å
388K46.4Very low60.8Low183 Ų18389.3 Ų89.380%0.79645%0.453SS*.Hα-helixtrans-56.3-22.5-177.6-78.3-178177.4177.80114.8
389S44.1Very low58Low84 Ų8496.8 Ų96.859%0.58749%0.487SS*.Hα-helixtrans-69.2-34.5174.448.90000112.9M387M387-S389 PolarHBondContact O-N 3.12Å
390E47.6Very low55.2Low64 Ų64103 Ų10330%0.29951%0.511SS..Hα-helixtrans-74.2-30.9176.9-63.9170.8143.100111.5P386 M387 I392 E393 Q394 H406P386-E390 WeakPolarHBondContact CA-OE2 3.36Å; P386-E390 HydrophobicContact CB-CB 4.46Å; P386-E390 WeakPolarHBondContact CB-OE2 3.33Å; M387-E390 PolarHBondContact N-OE2 3.48Å; M387-E390 WeakPolarHBondContact O-CB 3.35Å; M387-E390 PolarHBondContact O-N 3.49Å; E390-I392 PolarHBondContact O-N 3.4Å; E390-E393 PolarHBondContact O-N 3.32Å; E390-Q394 PolarHBondContact O-N 3.36Å; E390-Q394 VanDerWaalsContact O-N 3.08Å; E390-H406 IonicContact OE1-CE1 2.68Å; E390-H406 PolarHBondContact OE1-CE1 2.52Å; E390-H406 IonicContact OE1-ND1 3.12Å
391L43.7Very low52.6Low86 Ų86111.3 Ų111.345%0.4554%0.544SS..Hα-helixtrans-64.5-34175.1-99.9125.7000113.5M387M387-L391 PolarHBondContact O-N 3.4Å
392I44.8Very low50Low124 Ų124114 Ų11464%0.63657%0.566SS**Hα-helixtrans-74.6-33.5179.6-64.7170.6000110.4E390E390-I392 PolarHBondContact O-N 3.4Å
393E44.2Very low47.5Very low93 Ų93119.6 Ų119.644%0.43560%0.598SS.*Hα-helixtrans-74.3-29.4176.1-129.4-175.6140.800112.8E390 M396 K397E390-E393 PolarHBondContact O-N 3.32Å; E393-M396 PolarHBondContact O-N 3.04Å; E393-K397 PolarHBondContact O-N 3.13Å; E393-K397 IonicContact OE1-NZ 3.5Å; E393-K397 PolarHBondContact OE1-NZ 2.86Å
394Q42.8Very low44.9Very low79 Ų79126 Ų12637%0.36963%0.631SS.*Hα-helixtrans-61.2-42.3173.1-92.7179.1-26.200113.2E390 M396 K397 E398E390-Q394 PolarHBondContact O-N 3.36Å; E390-Q394 VanDerWaalsContact O-N 3.08Å; Q394-M396 PolarHBondContact O-N 2.71Å; Q394-K397 PolarHBondContact O-N 2.84Å; Q394-E398 PolarHBondContact O-N 3.41Å
395V45Very low42.6Very low102 Ų102121.3 Ų121.362%0.61863%0.625SS**Hα-helixtrans-66.2-24.6178.8-179.20000111.6
396M40.8Very low41.2Very low167 Ų167121.4 Ų121.482%0.82362%0.618SS**Hα-helixtrans-90.9-17.3179.3-60.1-16286.500114.3E393 Q394E393-M396 PolarHBondContact O-N 3.04Å; Q394-M396 PolarHBondContact O-N 2.71Å
397K42.2Very low40.6Very low133 Ų133124.1 Ų124.158%0.57863%0.627SS**SBendtrans-107.113.9-179.7-77.6171.9174.7161.60113.5E393 Q394 E399 H400E393-K397 PolarHBondContact O-N 3.13Å; E393-K397 IonicContact OE1-NZ 3.5Å; E393-K397 PolarHBondContact OE1-NZ 2.86Å; Q394-K397 PolarHBondContact O-N 2.84Å; K397-E399 PolarHBondContact O-N 3.35Å; K397-H400 PolarHBondContact O-N 3.26Å
398E37.6Very low40.8Very low142 Ų142118.1 Ų118.166%0.66460%0.598SS**THydrogen-bonded Turntrans-67.6-2.5-166.5-120.2175.2-171.400116.7Q394Q394-E398 PolarHBondContact O-N 3.41Å
399E34.4Very low41.7Very low183 Ų183118.9 Ų118.986%0.85560%0.596SS**THydrogen-bonded Turntrans-98.9-16177.4-72.7-171.4157.900115.2K397K397-E399 PolarHBondContact O-N 3.35Å
400H32.2Very low43.5Very low170 Ų170115.4 Ų115.479%0.78757%0.573SS**SBendtrans-149.587.8-179.6-73.9126000113K397K397-H400 PolarHBondContact O-N 3.26Å
401K32.5Very low45.5Very low186 Ų186112.6 Ų112.681%0.80956%0.56SS**  trans145.469.6153.5-82.5177.8179.5-176.30111.2L403K401-L403 PolarHBondContact O-N 2.77Å
402V30.4Very low47.8Very low140 Ų140110.1 Ų110.185%0.84855%0.55SS*.SBendtrans-85.414.3171.7-179.30000112.4
403L31.4Very low50Low159 Ų159104.2 Ų104.283%0.83252%0.52SS*.SBendtrans-108.5-14.3-176.3-97.9146000116.4K401K401-L403 PolarHBondContact O-N 2.77Å
404N31.1Very low52.1Low137 Ų137103.2 Ų103.273%0.73351%0.512SS*.SBendtrans-144.518.2-172.8-88.8-17.7000116.7
405G32.2Very low54.4Low49 Ų4999.7 Ų99.751%0.50550%0.496SS..SBendtrans-10499.9-175.700000114.2
406H42Very low56.7Low86 Ų8695.1 Ų95.140%0.39847%0.468SS..  trans79.764.2172.9-46.8-59.3000116.9P386 E390P386-H406 HydrophobicContact CB-CB 4.25Å; P386-H406 HydrophobicContact CG-CB 4.41Å; E390-H406 IonicContact OE1-CE1 2.68Å; E390-H406 PolarHBondContact OE1-CE1 2.52Å; E390-H406 IonicContact OE1-ND1 3.12Å
407Q52Low59.1Low93 Ų9387.9 Ų87.944%0.43543%0.431SS..  trans-67.5139.4161.9-77.1167.71.600110.5R409 H839Q407-R409 PolarHBondContact O-N 2.94Å; Q407-H839 VanDerWaalsContact CD-NE2 3.32Å; Q407-H839 PolarHBondContact OE1-NE2 3.08Å
408Q59.1Low61.3Low20 Ų2082.8 Ų82.89%0.09341%0.414CS..  trans-55.9125.3170.6-173.4-179.8-15.300109.7F314 Y318 T319 G320 S383 G410F314-Q408 HydrophobicContact CD1-CG 4.44Å; F314-Q408 HydrophobicContact CE1-CB 4.13Å; F314-Q408 HydrophobicContact CE1-CG 4.29Å; Y318-Q408 PolarHBondContact O-NE2 2.86Å; Y318-Q408 PolarHBondContact O-OE1 3.35Å; T319-Q408 VanDerWaalsContact CA-NE2 3.29Å; G320-Q408 VanDerWaalsContact N-NE2 3.18Å; S383-Q408 PolarHBondContact OG-NE2 3.4Å; Q408-G410 PolarHBondContact O-N 3.33Å
409R65.6Low63.9Low200 Ų20077.2 Ų77.276%0.75539%0.389SS*.  trans-57.5-31.7-179.7-73.9-173.1179.7-172.2-0.4112.6Q407Q407-R409 PolarHBondContact O-N 2.94Å
410G81.7Confident66.6Low11 Ų1168.8 Ų68.811%0.11335%0.35CS..  trans63.8-162.8177.900000113G320 Q408G320-G410 CarbonylContact O-C 3.6Å; G320-G410 WeakPolarHBondContact O-CA 3.29Å; Q408-G410 PolarHBondContact O-N 3.33Å
411I90.8Very high69.2Low4 Ų460.8 Ų60.82%0.02131%0.313CS..BIsolated β-bridgetrans-121.9150.4174.759.8172.8000111.2F34 T319 G320 I321 K322 L373 L377 Y382F34-I411 HydrophobicContact CB-CG2 4.47Å; F34-I411 HydrophobicContact CD1-CB 4.26Å; F34-I411 HydrophobicContact CD2-CB 4.06Å; F34-I411 HydrophobicContact CD2-CG2 3.74Å; F34-I411 HydrophobicContact CE1-CB 4.31Å; F34-I411 HydrophobicContact CE2-CB 4.11Å; F34-I411 HydrophobicContact CE2-CD1 3.88Å; F34-I411 HydrophobicContact CE2-CG2 4.11Å; F34-I411 HydrophobicContact CG-CB 4.13Å; F34-I411 HydrophobicContact CG-CG2 4.04Å; F34-I411 HydrophobicContact CZ-CB 4.23Å; F34-I411 HydrophobicContact CZ-CD1 4Å; T319-I411 HydrophobicContact CG2-CG1 4.2Å; T319-I411 HydrophobicContact CG2-CG2 3.85Å; G320-I411 PolarHBondContact O-N 3.44Å; I321-I411 CarbonylContact C-O 3.58Å; I321-I411 WeakPolarHBondContact CA-O 3.49Å; I321-I411 HydrophobicContact CG1-CD1 4.26Å; I321-I411 HydrophobicContact CG1-CG1 4.03Å; K322-I411 PolarHBondContact N-O 3.24Å; L373-I411 HydrophobicContact CD1-CD1 3.54Å; L377-I411 HydrophobicContact CD2-CD1 3.55Å; L377-I411 HydrophobicContact CD2-CG1 4.31Å; L377-I411 HydrophobicContact CG-CD1 3.83Å; Y382-I411 HydrophobicContact CD1-CG2 4.22Å; Y382-I411 HydrophobicContact CD2-CG2 3.82Å; Y382-I411 HydrophobicContact CG-CG2 3.6Å
412S90.6Very high71.8Confident34 Ų3460.1 Ų60.124%0.23831%0.306CS..  trans-114.797.5176.854.50000111.2F34 R414F34-S412 WeakPolarHBondContact CE1-O 3.48Å; S412-R414 PolarHBondContact O-N 2.94Å
413P91.4Very high74.1Confident1 Ų157.3 Ų57.31%0.00630%0.304CS..  trans-79.550.8-175.333.7-37.2000113I321 L330 L373 L416 K417I321-P413 HydrophobicContact CG2-CG 3.68Å; L330-P413 HydrophobicContact CD2-CG 4.05Å; L373-P413 HydrophobicContact CD1-CB 4.26Å; P413-L416 HydrophobicContact CB-CB 4.39Å; P413-K417 WeakPolarHBondContact O-CB 3.43Å; P413-K417 PolarHBondContact O-N 2.92Å
414R89.2Confident76.6Confident72 Ų7251.7 Ų51.727%0.27227%0.274SS..Hα-helixtrans-63.3-45.5-178.6-68-178.7-178-135.26.3111.6E102 Y155 L324 S412 K417 A418E102-R414 IonicContact OE2-NH1 3.86Å; Y155-R414 HydrophobicContact CD1-CB 4.38Å; Y155-R414 HydrophobicContact CE1-CB 4.15Å; L324-R414 HydrophobicContact CD1-CB 4.41Å; L324-R414 HydrophobicContact CD1-CG 3.79Å; L324-R414 HydrophobicContact CD2-CG 3.68Å; L324-R414 HydrophobicContact CG-CG 4.37Å; S412-R414 PolarHBondContact O-N 2.94Å; R414-K417 PolarHBondContact O-N 2.87Å; R414-A418 WeakPolarHBondContact O-CB 3.17Å; R414-A418 PolarHBondContact O-N 3.14Å
415M90.6Very high79Confident5 Ų549.7 Ų49.73%0.02527%0.269CS..Hα-helixtrans-63-44-179.3-165.1174.3-68.200111.7Y26 Y155 T363 Q369 L419Y26-M415 HydrophobicContact CD1-CE 3.89Å; Y26-M415 HydrophobicContact CE1-CE 4.12Å; Y155-M415 VanDerWaalsContact OH-CE 3.31Å; Y155-M415 WeakPolarHBondContact OH-CE 3.42Å; T363-M415 HydrophobicContact CG2-CE 3.82Å; T363-M415 HydrophobicContact CG2-SD 3.63Å; Q369-M415 HydrophobicContact CG-CG 4.36Å; Q369-M415 PolarHBondContact NE2-SD 3.31Å; Q369-M415 VanDerWaalsContact OE1-CG 3.25Å; Q369-M415 PolarHBondContact OE1-SD 2.79Å; M415-L419 WeakPolarHBondContact O-CB 3.46Å; M415-L419 PolarHBondContact O-N 3.07Å; M415-L419 VanDerWaalsContact O-N 3.1Å
416L92.4Very high81.4Confident6 Ų649.8 Ų49.83%0.03126%0.256CS..Hα-helixtrans-65.7-47.3175.2-177.770.9000111.6L334 Q369 M370 L373 P413 A418 L419 V420L334-L416 HydrophobicContact CD1-CD2 4.09Å; L334-L416 HydrophobicContact CD2-CD2 4.25Å; Q369-L416 HydrophobicContact CB-CB 4.39Å; Q369-L416 HydrophobicContact CB-CD1 3.66Å; M370-L416 HydrophobicContact CG-CD1 4.41Å; M370-L416 HydrophobicContact SD-CD1 4.01Å; M370-L416 HydrophobicContact SD-CD2 4.24Å; L373-L416 HydrophobicContact CB-CD2 4.24Å; L373-L416 HydrophobicContact CD2-CD2 3.29Å; L373-L416 HydrophobicContact CG-CD2 4.32Å; P413-L416 HydrophobicContact CB-CB 4.39Å; L416-A418 VanDerWaalsContact C-N 3.3Å; L416-A418 PolarHBondContact O-N 3.17Å; L416-L419 WeakPolarHBondContact O-CB 3.39Å; L416-L419 PolarHBondContact O-N 3.4Å; L416-V420 HydrophobicContact CD1-CG1 3.75Å; L416-V420 HydrophobicContact CG-CG1 4.05Å; L416-V420 WeakPolarHBondContact O-CG2 3.42Å; L416-V420 PolarHBondContact O-N 3.45Å
417K91.2Very high83.6Confident14 Ų1445.7 Ų45.76%0.06124%0.237CC..Hα-helixtrans-53.8-49.5176.9-178.8-175.4171.4-165.60110.4L324 L330 P413 R414 L419 V420 S421 N430L324-K417 HydrophobicContact CD1-CB 4.48Å; L324-K417 HydrophobicContact CD1-CD 4.07Å; L330-K417 HydrophobicContact CD1-CB 3.98Å; L330-K417 HydrophobicContact CD1-CG 4Å; P413-K417 WeakPolarHBondContact O-CB 3.43Å; P413-K417 PolarHBondContact O-N 2.92Å; R414-K417 PolarHBondContact O-N 2.87Å; K417-L419 VanDerWaalsContact C-N 3.26Å; K417-L419 PolarHBondContact O-N 3Å; K417-V420 PolarHBondContact O-N 3.09Å; K417-S421 WeakPolarHBondContact O-CB 3.4Å; K417-S421 PolarHBondContact O-N 3.11Å; K417-S421 PolarHBondContact O-OG 2.87Å; K417-N430 PolarHBondContact NZ-OD1 2.82Å
418A89.1Confident84.9Confident26 Ų2643.9 Ų43.922%0.21524%0.235CC..Hα-helixtrans-60.7-34.817900000113R414 L416 R422R414-A418 WeakPolarHBondContact O-CB 3.17Å; R414-A418 PolarHBondContact O-N 3.14Å; L416-A418 VanDerWaalsContact C-N 3.3Å; L416-A418 PolarHBondContact O-N 3.17Å; A418-R422 PolarHBondContact O-N 3.49Å
419L91.6Very high85.7Confident26 Ų2644.5 Ų44.514%0.13624%0.241CC..Hα-helixtrans-73.4-52.7178.4-177.561.2000112.4Q364 F366 Q369 M415 L416 K417 S421 R422Q364-L419 WeakPolarHBondContact O-CD1 3.15Å; F366-L419 HydrophobicContact CB-CD2 4.39Å; Q369-L419 HydrophobicContact CB-CD2 4.08Å; Q369-L419 HydrophobicContact CG-CD2 3.79Å; M415-L419 WeakPolarHBondContact O-CB 3.46Å; M415-L419 PolarHBondContact O-N 3.07Å; M415-L419 VanDerWaalsContact O-N 3.1Å; L416-L419 WeakPolarHBondContact O-CB 3.39Å; L416-L419 PolarHBondContact O-N 3.4Å; K417-L419 VanDerWaalsContact C-N 3.26Å; K417-L419 PolarHBondContact O-N 3Å; L419-S421 PolarHBondContact O-N 2.89Å; L419-R422 VanDerWaalsContact O-CB 3.29Å; L419-R422 WeakPolarHBondContact O-CB 3.41Å; L419-R422 PolarHBondContact O-N 2.91Å
420V91.9Very high86.2Confident5 Ų537.9 Ų37.93%0.0322%0.221CC..Hα-helixtrans-69.1-25.7-176.6-57.60000112.3F366 L416 K417 F438 H441 L442 L445F366-V420 HydrophobicContact CD2-CG1 4.49Å; F366-V420 HydrophobicContact CE2-CG1 4.14Å; L416-V420 HydrophobicContact CD1-CG1 3.75Å; L416-V420 HydrophobicContact CG-CG1 4.05Å; L416-V420 WeakPolarHBondContact O-CG2 3.42Å; L416-V420 PolarHBondContact O-N 3.45Å; K417-V420 PolarHBondContact O-N 3.09Å; V420-F438 HydrophobicContact CG2-CE2 4.08Å; V420-F438 HydrophobicContact CG2-CZ 4.29Å; V420-H441 PolarHBondContact O-NE2 2.9Å; V420-L442 HydrophobicContact CG1-CD1 4.28Å; V420-L445 HydrophobicContact CB-CD1 3.81Å; V420-L445 HydrophobicContact CG1-CD1 4.08Å
421S87.6Confident85.9Confident3 Ų343 Ų432%0.02124%0.236CC..THydrogen-bonded Turntrans-87.2-5178.1-64.70000114.1K417 L419 G423 H424 F427K417-S421 WeakPolarHBondContact O-CB 3.4Å; K417-S421 PolarHBondContact O-N 3.11Å; K417-S421 PolarHBondContact O-OG 2.87Å; L419-S421 PolarHBondContact O-N 2.89Å; S421-G423 PolarHBondContact O-N 3.39Å; S421-H424 PolarHBondContact O-N 3.48Å; S421-H424 VanDerWaalsContact O-N 3.13Å; S421-F427 VanDerWaalsContact CB-C 3.42Å; S421-F427 WeakPolarHBondContact CB-O 3.42Å; S421-F427 VanDerWaalsContact OG-C 3.31Å; S421-F427 WeakPolarHBondContact OG-CB 3.31Å; S421-F427 PolarHBondContact OG-O 3.37Å
422R85.4Confident85.3Confident172 Ų17246 Ų4665%0.64925%0.251SS*.THydrogen-bonded Turntrans-62.8122.3-173.9-175.9176.3175.3178.2-7.6110.7A418 L419 H424A418-R422 PolarHBondContact O-N 3.49Å; L419-R422 VanDerWaalsContact O-CB 3.29Å; L419-R422 WeakPolarHBondContact O-CB 3.41Å; L419-R422 PolarHBondContact O-N 2.91Å; R422-H424 PolarHBondContact O-N 3.36Å
423G78.3Confident85.2Confident80 Ų8045.3 Ų45.383%0.82524%0.244SC*.THydrogen-bonded Turntrans78.4-3.9179.600000114.9S421S421-G423 PolarHBondContact O-N 3.39Å
424H85.1Confident85.2Confident41 Ų4147 Ų4719%0.1925%0.253CS..  trans-89.5126.4-180-162.9-72.2000111.4S421 R422 E426 F427 S428 H441S421-H424 PolarHBondContact O-N 3.48Å; S421-H424 VanDerWaalsContact O-N 3.13Å; R422-H424 PolarHBondContact O-N 3.36Å; H424-E426 PolarHBondContact ND1-N 3.49Å; H424-E426 VanDerWaalsContact ND1-N 3.18Å; H424-E426 PolarHBondContact O-N 3Å; H424-F427 HydrophobicContact CB-CB 4.35Å; H424-F427 HydrophobicContact CB-CD2 4.21Å; H424-F427 AromaticContact CD2-CD2 3.64Å; H424-F427 AromaticContact CD2-CE2 3.94Å; H424-F427 AromaticContact CE1-CD2 3.39Å; H424-F427 WeakPolarHBondContact CE1-CD2 3.31Å; H424-F427 AromaticContact CE1-CE2 3.37Å; H424-F427 WeakPolarHBondContact CE1-CE2 3.34Å; H424-F427 AromaticContact CG-CD2 3.45Å; H424-F427 VanDerWaalsContact CG-CD2 3.45Å; H424-F427 AromaticContact ND1-CD2 3.29Å; H424-F427 VanDerWaalsContact ND1-CD2 3.29Å; H424-F427 WeakPolarHBondContact ND1-CD2 3.43Å; H424-F427 AromaticContact ND1-CE2 3.8Å; H424-F427 AromaticContact ND1-CG 3.96Å; H424-F427 PolarHBondContact ND1-N 2.91Å; H424-F427 AromaticContact NE2-CD2 3.61Å; H424-F427 AromaticContact NE2-CE2 3.46Å; H424-F427 WeakPolarHBondContact NE2-CE2 3.17Å; H424-S428 WeakPolarHBondContact O-CB 3.29Å; H424-S428 PolarHBondContact O-N 3.42Å; H424-S428 VanDerWaalsContact O-N 3.13Å; H424-S428 PolarHBondContact O-OG 3.04Å; H424-H441 AromaticContact CD2-CE1 3.62Å; H424-H441 AromaticContact CD2-ND1 3.68Å
425P82.1Confident85.5Confident96 Ų9643.6 Ų43.662%0.62324%0.24SC*.THydrogen-bonded Turntrans-63.4-37.7-175.123.8-33.7000113.2R431P425-R431 PolarHBondContact O-NH2 3.05Å
426E81.6Confident85.7Confident50 Ų5044 Ų4423%0.23424%0.241CC..THydrogen-bonded Turntrans-78.3-62.8178.5-65.5-61.2133.600112.5H424 S428 S429 R431 Q433H424-E426 PolarHBondContact ND1-N 3.49Å; H424-E426 VanDerWaalsContact ND1-N 3.18Å; H424-E426 PolarHBondContact O-N 3Å; E426-S428 VanDerWaalsContact C-N 3.31Å; E426-S428 PolarHBondContact O-N 2.63Å; E426-S429 PolarHBondContact O-N 3.43Å; E426-S429 PolarHBondContact O-OG 3.41Å; E426-R431 IonicContact OE1-CZ 2.86Å; E426-R431 VanDerWaalsContact OE1-CZ 3.23Å; E426-R431 IonicContact OE1-NH1 3.99Å; E426-R431 PolarHBondContact OE1-NH1 3.44Å; E426-R431 VanDerWaalsContact OE1-NH1 3.09Å; E426-R431 IonicContact OE1-NH2 3.84Å; E426-R431 PolarHBondContact OE1-NH2 3.28Å; E426-R431 IonicContact OE2-CZ 2.79Å; E426-R431 IonicContact OE2-NE 3.1Å; E426-R431 PolarHBondContact OE2-NE 2.94Å; E426-R431 IonicContact OE2-NH1 3.79Å; E426-R431 PolarHBondContact OE2-NH1 3.09Å; E426-R431 IonicContact OE2-NH2 2.74Å; E426-R431 PolarHBondContact OE2-NH2 2.98Å; E426-Q433 PolarHBondContact O-NE2 3.3Å; E426-Q433 PolarHBondContact OE2-NE2 3.35Å; E426-Q433 PolarHBondContact OE2-OE1 2.88Å
427F88.1Confident85.8Confident0 Ų047.5 Ų47.50%026%0.258CS..THydrogen-bonded Turntrans-71.2-17-171.7-53.2-57.5000115.3Y329 S421 H424 S429 Q433 E437 F438 H441Y329-F427 AromaticContact CE2-CD1 3.85Å; Y329-F427 HydrophobicContact CE2-CD1 3.85Å; Y329-F427 HydrophobicContact CE2-CE1 4.13Å; S421-F427 VanDerWaalsContact CB-C 3.42Å; S421-F427 WeakPolarHBondContact CB-O 3.42Å; S421-F427 VanDerWaalsContact OG-C 3.31Å; S421-F427 WeakPolarHBondContact OG-CB 3.31Å; S421-F427 PolarHBondContact OG-O 3.37Å; H424-F427 HydrophobicContact CB-CB 4.35Å; H424-F427 HydrophobicContact CB-CD2 4.21Å; H424-F427 AromaticContact CD2-CD2 3.64Å; H424-F427 AromaticContact CD2-CE2 3.94Å; H424-F427 AromaticContact CE1-CD2 3.39Å; H424-F427 WeakPolarHBondContact CE1-CD2 3.31Å; H424-F427 AromaticContact CE1-CE2 3.37Å; H424-F427 WeakPolarHBondContact CE1-CE2 3.34Å; H424-F427 AromaticContact CG-CD2 3.45Å; H424-F427 VanDerWaalsContact CG-CD2 3.45Å; H424-F427 AromaticContact ND1-CD2 3.29Å; H424-F427 VanDerWaalsContact ND1-CD2 3.29Å; H424-F427 WeakPolarHBondContact ND1-CD2 3.43Å; H424-F427 AromaticContact ND1-CE2 3.8Å; H424-F427 AromaticContact ND1-CG 3.96Å; H424-F427 PolarHBondContact ND1-N 2.91Å; H424-F427 AromaticContact NE2-CD2 3.61Å; H424-F427 AromaticContact NE2-CE2 3.46Å; H424-F427 WeakPolarHBondContact NE2-CE2 3.17Å; F427-S429 PolarHBondContact O-N 3.03Å; F427-Q433 HydrophobicContact CD1-CB 4.21Å; F427-Q433 HydrophobicContact CD1-CG 3.99Å; F427-Q433 HydrophobicContact CE1-CB 3.96Å; F427-Q433 HydrophobicContact CE1-CG 4.19Å; F427-E437 HydrophobicContact CZ-CB 4.32Å; F427-E437 HydrophobicContact CZ-CG 3.96Å; F427-F438 AromaticContact CD1-CD2 3.84Å; F427-F438 HydrophobicContact CD1-CD2 3.84Å; F427-F438 HydrophobicContact CD2-CD2 4.48Å; F427-F438 HydrophobicContact CE1-CB 3.74Å; F427-F438 AromaticContact CE1-CD2 3.82Å; F427-F438 HydrophobicContact CE1-CD2 3.82Å; F427-F438 HydrophobicContact CE1-CG 4.27Å; F427-F438 HydrophobicContact CE2-CD2 4.48Å; F427-F438 HydrophobicContact CG-CD2 4.21Å; F427-F438 HydrophobicContact CZ-CB 3.95Å; F427-F438 HydrophobicContact CZ-CD2 4.17Å; F427-H441 HydrophobicContact CD2-CB 4.41Å; F427-H441 AromaticContact CD2-CD2 3.56Å; F427-H441 AromaticContact CD2-CG 3.92Å; F427-H441 AromaticContact CD2-NE2 3.98Å; F427-H441 HydrophobicContact CE2-CB 3.67Å; F427-H441 AromaticContact CE2-CD2 3.72Å; F427-H441 AromaticContact CE2-CG 3.66Å; F427-H441 HydrophobicContact CZ-CB 4.34Å
428S80Confident86.1Confident56 Ų5646.9 Ų46.939%0.39226%0.255SS..THydrogen-bonded Turntrans-69.1-22.6173.662.10000112.9H424 E426H424-S428 WeakPolarHBondContact O-CB 3.29Å; H424-S428 PolarHBondContact O-N 3.42Å; H424-S428 VanDerWaalsContact O-N 3.13Å; H424-S428 PolarHBondContact O-OG 3.04Å; E426-S428 VanDerWaalsContact C-N 3.31Å; E426-S428 PolarHBondContact O-N 2.63Å
429S76.1Confident86.5Confident33 Ų3345.6 Ų45.623%0.23125%0.245CC..SBendtrans-84.3161.3175.771.10000112.2E426 F427 R431E426-S429 PolarHBondContact O-N 3.43Å; E426-S429 PolarHBondContact O-OG 3.41Å; F427-S429 PolarHBondContact O-N 3.03Å; S429-R431 VanDerWaalsContact C-N 3.32Å; S429-R431 VanDerWaalsContact OG-CG 3.3Å; S429-R431 WeakPolarHBondContact OG-CG 3.34Å; S429-R431 PolarHBondContact OG-NE 2.72Å
430N75.3Confident86.6Confident61 Ų6146.9 Ų46.933%0.32625%0.252SS..SBendtrans-93.519.6176.6-66.8-35000113.1Q158 N326 K417Q158-N430 PolarHBondContact O-ND2 2.86Å; N326-N430 WeakPolarHBondContact CB-O 3.18Å; N326-N430 PolarHBondContact ND2-O 3.24Å; K417-N430 PolarHBondContact NZ-OD1 2.82Å
431R75.9Confident86.8Confident117 Ų11748.1 Ų48.144%0.44226%0.257SS..SBendtrans-79.7167.1176.276-173.2136.6149.5-5.4111.5P425 E426 S429P425-R431 PolarHBondContact O-NH2 3.05Å; E426-R431 IonicContact OE1-CZ 2.86Å; E426-R431 VanDerWaalsContact OE1-CZ 3.23Å; E426-R431 IonicContact OE1-NH1 3.99Å; E426-R431 PolarHBondContact OE1-NH1 3.44Å; E426-R431 VanDerWaalsContact OE1-NH1 3.09Å; E426-R431 IonicContact OE1-NH2 3.84Å; E426-R431 PolarHBondContact OE1-NH2 3.28Å; E426-R431 IonicContact OE2-CZ 2.79Å; E426-R431 IonicContact OE2-NE 3.1Å; E426-R431 PolarHBondContact OE2-NE 2.94Å; E426-R431 IonicContact OE2-NH1 3.79Å; E426-R431 PolarHBondContact OE2-NH1 3.09Å; E426-R431 IonicContact OE2-NH2 2.74Å; E426-R431 PolarHBondContact OE2-NH2 2.98Å; S429-R431 VanDerWaalsContact C-N 3.32Å; S429-R431 VanDerWaalsContact OG-CG 3.3Å; S429-R431 WeakPolarHBondContact OG-CG 3.34Å; S429-R431 PolarHBondContact OG-NE 2.72Å
432Q78.6Confident87.1Confident68 Ų6848 Ų4832%0.31826%0.256SS..  trans-68.9141.5173-64.9-177.11.500110.1N326 G821N326-Q432 HydrophobicContact CB-CG 3.67Å; N326-Q432 VanDerWaalsContact CG-CG 3.43Å; N326-Q432 VanDerWaalsContact OD1-CG 3.32Å; N326-Q432 WeakPolarHBondContact OD1-CG 3.32Å; N326-Q432 PolarHBondContact OD1-NE2 3.05Å; N326-Q432 VanDerWaalsContact OD1-NE2 3.12Å; Q432-G821 PolarHBondContact OE1-O 2.96Å
433Q87.3Confident87.5Confident19 Ų1939.8 Ų39.89%0.08923%0.225CC..  trans-135.6160.8-175.2-60.9-63.6-4.400111.5Y329 E426 F427 Y823Y329-Q433 WeakPolarHBondContact CB-O 3.34Å; Y329-Q433 HydrophobicContact CD1-CB 3.76Å; Y329-Q433 HydrophobicContact CD1-CG 4.45Å; Y329-Q433 HydrophobicContact CD2-CB 4.06Å; Y329-Q433 HydrophobicContact CE1-CB 3.6Å; Y329-Q433 HydrophobicContact CE1-CG 3.81Å; Y329-Q433 HydrophobicContact CE2-CB 3.96Å; Y329-Q433 HydrophobicContact CE2-CG 4.4Å; Y329-Q433 HydrophobicContact CG-CB 3.99Å; E426-Q433 PolarHBondContact O-NE2 3.3Å; E426-Q433 PolarHBondContact OE2-NE2 3.35Å; E426-Q433 PolarHBondContact OE2-OE1 2.88Å; F427-Q433 HydrophobicContact CD1-CB 4.21Å; F427-Q433 HydrophobicContact CD1-CG 3.99Å; F427-Q433 HydrophobicContact CE1-CB 3.96Å; F427-Q433 HydrophobicContact CE1-CG 4.19Å; Q433-Y823 WeakPolarHBondContact O-CE2 3.42Å
434D92.4Very high88.1Confident37 Ų3739.7 Ų39.720%0.19821%0.206CC..  trans-77.5134.7177.9-179.6-92.6000112.1H436 E437 F438 Y823 Y853D434-H436 VanDerWaalsContact OD1-CA 3.29Å; D434-H436 WeakPolarHBondContact OD1-CA 3.39Å; D434-H436 WeakPolarHBondContact OD1-CB 3.41Å; D434-H436 PolarHBondContact OD1-N 2.96Å; D434-E437 HydrophobicContact CB-CB 4.13Å; D434-E437 PolarHBondContact OD1-N 2.67Å; D434-F438 PolarHBondContact O-N 3.41Å; D434-F438 VanDerWaalsContact O-N 3.11Å; D434-Y823 PolarHBondContact OD2-OH 2.96Å; D434-Y853 PolarHBondContact OD1-OH 2.66Å; D434-Y853 WeakPolarHBondContact OD2-CE1 3.41Å; D434-Y853 VanDerWaalsContact OD2-CZ 3.29Å; D434-Y853 PolarHBondContact OD2-OH 3.45Å
435A94.5Very high88.5Confident0 Ų039 Ų390%020%0.203CC..Hα-helixtrans-72-29.7-177.800000113.3V333 F439 I811 Y823 I854V333-A435 HydrophobicContact CG2-CB 4.22Å; V333-A435 WeakPolarHBondContact CG2-O 3.16Å; A435-F439 VanDerWaalsContact O-CB 3.3Å; A435-F439 WeakPolarHBondContact O-CB 3.49Å; A435-F439 PolarHBondContact O-N 2.93Å; A435-I811 HydrophobicContact CB-CG2 4.19Å; A435-Y823 HydrophobicContact CB-CD1 3.93Å; A435-Y823 HydrophobicContact CB-CE1 3.55Å; A435-Y823 HydrophobicContact CB-CE2 4.25Å; A435-Y823 HydrophobicContact CB-CG 4.4Å; A435-Y823 PolarHBondContact N-OH 3.09Å; A435-I854 HydrophobicContact CB-CD1 4.01Å
436H95.4Very high89Confident13 Ų1334.5 Ų34.56%0.0617%0.174CC..Hα-helixtrans-74.6-42.1178.5172.3-93.9000110.5D434 F439 L440 C485 Q571 Y853 I854D434-H436 VanDerWaalsContact OD1-CA 3.29Å; D434-H436 WeakPolarHBondContact OD1-CA 3.39Å; D434-H436 WeakPolarHBondContact OD1-CB 3.41Å; D434-H436 PolarHBondContact OD1-N 2.96Å; H436-F439 WeakPolarHBondContact O-CB 3.46Å; H436-F439 PolarHBondContact O-N 3.43Å; H436-L440 WeakPolarHBondContact CE1-CD1 3.37Å; H436-L440 PolarHBondContact O-N 2.83Å; H436-C485 PolarHBondContact NE2-SG 3.46Å; H436-C485 VanDerWaalsContact NE2-SG 3.38Å; H436-Q571 PolarHBondContact CE1-OE1 3.45Å; H436-Q571 VanDerWaalsContact CE1-OE1 3.31Å; H436-Q571 PolarHBondContact NE2-OE1 2.8Å; H436-Y853 HydrophobicContact CB-CE1 4.3Å; H436-I854 HydrophobicContact CB-CD1 3.68Å; H436-I854 HydrophobicContact CB-CG1 4.32Å
437E95.1Very high89.3Confident80 Ų8033.8 Ų33.837%0.37417%0.17SC..Hα-helixtrans-59.3-47.2172.5-166.6-175.8165.800111.3F427 D434 F439 L440 H441F427-E437 HydrophobicContact CZ-CB 4.32Å; F427-E437 HydrophobicContact CZ-CG 3.96Å; D434-E437 HydrophobicContact CB-CB 4.13Å; D434-E437 PolarHBondContact OD1-N 2.67Å; E437-F439 VanDerWaalsContact C-N 3.33Å; E437-F439 PolarHBondContact O-N 2.78Å; E437-L440 PolarHBondContact O-N 2.56Å; E437-H441 WeakPolarHBondContact O-CB 3.39Å; E437-H441 PolarHBondContact O-N 3Å
438F96.3Very high89.2Confident1 Ų137.9 Ų37.90%0.00419%0.186CC..Hα-helixtrans-63.5-38176.3-177.2-104.6000112.7Y329 L330 V333 V420 F427 D434 H441 L442Y329-F438 HydrophobicContact CD2-CB 3.71Å; Y329-F438 HydrophobicContact CD2-CD1 4.12Å; Y329-F438 HydrophobicContact CD2-CD2 4.07Å; Y329-F438 AromaticContact CD2-CG 3.68Å; Y329-F438 HydrophobicContact CD2-CG 3.68Å; Y329-F438 HydrophobicContact CE2-CB 4.12Å; Y329-F438 HydrophobicContact CE2-CD1 4.47Å; Y329-F438 AromaticContact CE2-CD2 3.7Å; Y329-F438 HydrophobicContact CE2-CD2 3.7Å; Y329-F438 HydrophobicContact CE2-CE2 4.24Å; Y329-F438 AromaticContact CE2-CG 3.82Å; Y329-F438 HydrophobicContact CE2-CG 3.82Å; L330-F438 HydrophobicContact CB-CD1 4.41Å; L330-F438 HydrophobicContact CB-CE1 3.9Å; L330-F438 HydrophobicContact CB-CE2 4.5Å; L330-F438 HydrophobicContact CB-CZ 3.95Å; L330-F438 HydrophobicContact CD1-CE1 4.39Å; L330-F438 HydrophobicContact CD1-CE2 4.08Å; L330-F438 HydrophobicContact CD1-CZ 3.64Å; L330-F438 HydrophobicContact CG-CE1 3.9Å; L330-F438 HydrophobicContact CG-CE2 4.44Å; L330-F438 HydrophobicContact CG-CZ 3.66Å; V333-F438 HydrophobicContact CB-CD1 3.9Å; V333-F438 HydrophobicContact CB-CE1 4.19Å; V333-F438 HydrophobicContact CG1-CD1 4Å; V333-F438 HydrophobicContact CG1-CE1 4.18Å; V333-F438 HydrophobicContact CG2-CD1 4.06Å; V420-F438 HydrophobicContact CG2-CE2 4.08Å; V420-F438 HydrophobicContact CG2-CZ 4.29Å; F427-F438 AromaticContact CD1-CD2 3.84Å; F427-F438 HydrophobicContact CD1-CD2 3.84Å; F427-F438 HydrophobicContact CD2-CD2 4.48Å; F427-F438 HydrophobicContact CE1-CB 3.74Å; F427-F438 AromaticContact CE1-CD2 3.82Å; F427-F438 HydrophobicContact CE1-CD2 3.82Å; F427-F438 HydrophobicContact CE1-CG 4.27Å; F427-F438 HydrophobicContact CE2-CD2 4.48Å; F427-F438 HydrophobicContact CG-CD2 4.21Å; F427-F438 HydrophobicContact CZ-CB 3.95Å; F427-F438 HydrophobicContact CZ-CD2 4.17Å; D434-F438 PolarHBondContact O-N 3.41Å; D434-F438 VanDerWaalsContact O-N 3.11Å; F438-H441 PolarHBondContact O-N 2.57Å; F438-L442 HydrophobicContact CE1-CD2 4.2Å; F438-L442 HydrophobicContact CZ-CD2 4.49Å; F438-L442 WeakPolarHBondContact O-CB 3.28Å; F438-L442 PolarHBondContact O-N 3.48Å
439F96.9Very high89.5Confident0 Ų039.2 Ų39.20%019%0.189CC..Hα-helixtrans-59.2-51.8174.5168.5-100.8000111.3V333 L337 A435 H436 E437 H441 L442 I443 F460 V569 F856V333-F439 HydrophobicContact CG1-CB 4.17Å; V333-F439 HydrophobicContact CG1-CD2 4.22Å; V333-F439 HydrophobicContact CG2-CB 4.27Å; L337-F439 HydrophobicContact CD2-CD2 4.4Å; L337-F439 HydrophobicContact CD2-CE2 4Å; A435-F439 VanDerWaalsContact O-CB 3.3Å; A435-F439 WeakPolarHBondContact O-CB 3.49Å; A435-F439 PolarHBondContact O-N 2.93Å; H436-F439 WeakPolarHBondContact O-CB 3.46Å; H436-F439 PolarHBondContact O-N 3.43Å; E437-F439 VanDerWaalsContact C-N 3.33Å; E437-F439 PolarHBondContact O-N 2.78Å; F439-H441 PolarHBondContact O-N 2.98Å; F439-L442 PolarHBondContact O-N 3.44Å; F439-I443 HydrophobicContact CD1-CG1 4.48Å; F439-I443 HydrophobicContact CD2-CG1 4.2Å; F439-I443 HydrophobicContact CE1-CG1 4.09Å; F439-I443 HydrophobicContact CE2-CD1 3.92Å; F439-I443 HydrophobicContact CE2-CG1 3.78Å; F439-I443 HydrophobicContact CZ-CD1 4.12Å; F439-I443 HydrophobicContact CZ-CG1 3.7Å; F439-I443 WeakPolarHBondContact O-CG1 3.43Å; F439-I443 PolarHBondContact O-N 2.85Å; F439-F460 HydrophobicContact CE2-CE2 4.12Å; F439-F460 HydrophobicContact CE2-CZ 4.19Å; F439-F460 HydrophobicContact CZ-CD2 4.23Å; F439-F460 HydrophobicContact CZ-CE2 4.27Å; F439-F460 HydrophobicContact CZ-CG 4.35Å; F439-F460 HydrophobicContact CZ-CZ 4.45Å; F439-V569 HydrophobicContact CE1-CG1 4.22Å; F439-V569 HydrophobicContact CE1-CG2 4.31Å; F439-V569 HydrophobicContact CZ-CG1 4.43Å; F439-V569 HydrophobicContact CZ-CG2 3.88Å; F439-F856 HydrophobicContact CD2-CZ 4.42Å; F439-F856 HydrophobicContact CE2-CE1 4.03Å; F439-F856 HydrophobicContact CE2-CZ 4.35Å; F439-F856 HydrophobicContact CZ-CE1 4.42Å
440L95.2Very high89.8Confident53 Ų5337.9 Ų37.928%0.27718%0.179SC..Hα-helixtrans-63.2-41.7179.1-68.4-179000112.3H436 E437 L442 I443 N444H436-L440 WeakPolarHBondContact CE1-CD1 3.37Å; H436-L440 PolarHBondContact O-N 2.83Å; E437-L440 PolarHBondContact O-N 2.56Å; L440-L442 VanDerWaalsContact C-N 3.31Å; L440-L442 PolarHBondContact O-N 3.43Å; L440-I443 PolarHBondContact O-N 2.79Å; L440-N444 PolarHBondContact O-N 2.8Å; L440-N444 PolarHBondContact O-ND2 3.06Å
441H95.1Very high89.4Confident30 Ų3036.4 Ų36.414%0.13918%0.176CC..Hα-helixtrans-56.2-46.9173.9175.459.6000111.6V420 H424 F427 E437 F438 F439 N444 L445V420-H441 PolarHBondContact O-NE2 2.9Å; H424-H441 AromaticContact CD2-CE1 3.62Å; H424-H441 AromaticContact CD2-ND1 3.68Å; F427-H441 HydrophobicContact CD2-CB 4.41Å; F427-H441 AromaticContact CD2-CD2 3.56Å; F427-H441 AromaticContact CD2-CG 3.92Å; F427-H441 AromaticContact CD2-NE2 3.98Å; F427-H441 HydrophobicContact CE2-CB 3.67Å; F427-H441 AromaticContact CE2-CD2 3.72Å; F427-H441 AromaticContact CE2-CG 3.66Å; F427-H441 HydrophobicContact CZ-CB 4.34Å; E437-H441 WeakPolarHBondContact O-CB 3.39Å; E437-H441 PolarHBondContact O-N 3Å; F438-H441 PolarHBondContact O-N 2.57Å; F439-H441 PolarHBondContact O-N 2.98Å; H441-N444 PolarHBondContact O-N 3.47Å; H441-L445 WeakPolarHBondContact NE2-CD1 3.5Å; H441-L445 WeakPolarHBondContact O-CG 3.35Å; H441-L445 PolarHBondContact O-N 3.01Å
442L94.9Very high88.9Confident0 Ų035 Ų350%020%0.198CC..Hα-helixtrans-67.5-38.4179.2-173.458.5000112.5V333 L334 L337 F366 V420 F438 F439 L440 L445 V446V333-L442 HydrophobicContact CG1-CD2 4.3Å; L334-L442 HydrophobicContact CD2-CD2 3.63Å; L337-L442 HydrophobicContact CD1-CD2 3.37Å; L337-L442 HydrophobicContact CD1-CG 4.17Å; F366-L442 HydrophobicContact CE2-CD1 4.12Å; F366-L442 HydrophobicContact CZ-CD1 4.17Å; V420-L442 HydrophobicContact CG1-CD1 4.28Å; F438-L442 HydrophobicContact CE1-CD2 4.2Å; F438-L442 HydrophobicContact CZ-CD2 4.49Å; F438-L442 WeakPolarHBondContact O-CB 3.28Å; F438-L442 PolarHBondContact O-N 3.48Å; F439-L442 PolarHBondContact O-N 3.44Å; L440-L442 VanDerWaalsContact C-N 3.31Å; L440-L442 PolarHBondContact O-N 3.43Å; L442-L445 PolarHBondContact O-N 3.11Å; L442-V446 WeakPolarHBondContact O-CG2 3.28Å; L442-V446 PolarHBondContact O-N 3.18Å
443I93.9Very high88.6Confident1 Ų134.4 Ų34.41%0.00520%0.201CC..Hα-helixtrans-62.6-42.4174.1-66.8-55.8000111.1L337 F343 F439 L440 L445 V446 E447 F460 Y484L337-I443 HydrophobicContact CD2-CD1 4.47Å; F343-I443 HydrophobicContact CZ-CD1 4.08Å; F439-I443 HydrophobicContact CD1-CG1 4.48Å; F439-I443 HydrophobicContact CD2-CG1 4.2Å; F439-I443 HydrophobicContact CE1-CG1 4.09Å; F439-I443 HydrophobicContact CE2-CD1 3.92Å; F439-I443 HydrophobicContact CE2-CG1 3.78Å; F439-I443 HydrophobicContact CZ-CD1 4.12Å; F439-I443 HydrophobicContact CZ-CG1 3.7Å; F439-I443 WeakPolarHBondContact O-CG1 3.43Å; F439-I443 PolarHBondContact O-N 2.85Å; L440-I443 PolarHBondContact O-N 2.79Å; I443-L445 VanDerWaalsContact C-N 3.34Å; I443-L445 PolarHBondContact O-N 3.42Å; I443-V446 WeakPolarHBondContact O-CB 3.38Å; I443-V446 PolarHBondContact O-N 2.92Å; I443-V446 VanDerWaalsContact O-N 3.17Å; I443-E447 PolarHBondContact O-N 3.02Å; I443-F460 HydrophobicContact CD1-CD2 3.75Å; I443-F460 HydrophobicContact CD1-CE2 3.71Å; I443-Y484 HydrophobicContact CG2-CD1 3.91Å; I443-Y484 HydrophobicContact CG2-CD2 4.49Å; I443-Y484 HydrophobicContact CG2-CE1 3.92Å; I443-Y484 HydrophobicContact CG2-CE2 4.49Å; I443-Y484 HydrophobicContact CG2-CG 4.21Å
444N90.9Very high88.1Confident78 Ų7840.5 Ų40.542%0.41723%0.229SC..Hα-helixtrans-64.1-37.8175.1-72.5-27.6000112.2L440 H441 V446 E447 R448L440-N444 PolarHBondContact O-N 2.8Å; L440-N444 PolarHBondContact O-ND2 3.06Å; H441-N444 PolarHBondContact O-N 3.47Å; N444-V446 VanDerWaalsContact C-N 3.34Å; N444-E447 WeakPolarHBondContact O-CB 3.28Å; N444-E447 PolarHBondContact O-N 3Å; N444-R448 WeakPolarHBondContact O-CB 3.35Å; N444-R448 VanDerWaalsContact O-CG 3.29Å; N444-R448 WeakPolarHBondContact O-CG 3.46Å; N444-R448 PolarHBondContact O-N 3.16Å
445L92.1Very high87.9Confident27 Ų2739.5 Ų39.514%0.14122%0.224CC..Hα-helixtrans-63.6-39.8172.4-73.2176.5000112.1F366 V420 H441 L442 I443 R448 N449F366-L445 HydrophobicContact CE2-CB 3.95Å; F366-L445 HydrophobicContact CE2-CD1 4.37Å; F366-L445 HydrophobicContact CZ-CB 4.08Å; V420-L445 HydrophobicContact CB-CD1 3.81Å; V420-L445 HydrophobicContact CG1-CD1 4.08Å; H441-L445 WeakPolarHBondContact NE2-CD1 3.5Å; H441-L445 WeakPolarHBondContact O-CG 3.35Å; H441-L445 PolarHBondContact O-N 3.01Å; L442-L445 PolarHBondContact O-N 3.11Å; I443-L445 VanDerWaalsContact C-N 3.34Å; I443-L445 PolarHBondContact O-N 3.42Å; L445-R448 PolarHBondContact O-N 2.97Å; L445-N449 PolarHBondContact O-N 3.29Å; L445-N449 VanDerWaalsContact O-N 3.13Å; L445-N449 PolarHBondContact O-ND2 3.1Å
446V92.3Very high87.7Confident0 Ų039.7 Ų39.70%023%0.225CC..Hα-helixtrans-62.7-44.6174.3169.70000110.6F343 F366 L442 I443 N444 R448 N449 S450 N455 P456F343-V446 HydrophobicContact CE1-CG2 4.23Å; F366-V446 HydrophobicContact CE1-CG2 4.04Å; F366-V446 HydrophobicContact CZ-CG2 3.84Å; L442-V446 WeakPolarHBondContact O-CG2 3.28Å; L442-V446 PolarHBondContact O-N 3.18Å; I443-V446 WeakPolarHBondContact O-CB 3.38Å; I443-V446 PolarHBondContact O-N 2.92Å; I443-V446 VanDerWaalsContact O-N 3.17Å; N444-V446 VanDerWaalsContact C-N 3.34Å; V446-R448 VanDerWaalsContact C-N 3.33Å; V446-R448 PolarHBondContact O-N 2.92Å; V446-N449 PolarHBondContact O-N 2.93Å; V446-S450 VanDerWaalsContact O-CB 3.24Å; V446-S450 WeakPolarHBondContact O-CB 3.42Å; V446-S450 PolarHBondContact O-N 2.79Å; V446-S450 PolarHBondContact O-OG 2.99Å; V446-N455 WeakPolarHBondContact CG1-OD1 3.27Å; V446-P456 HydrophobicContact CG1-CG 3.74Å
447E88.3Confident87.5Confident35 Ų3539.1 Ų39.116%0.16422%0.222CC..Hα-helixtrans-56.7-48.4176.4-160.466.1-146.600111.4I443 N444 N449 S450 N455 S457 R461 F752I443-E447 PolarHBondContact O-N 3.02Å; N444-E447 WeakPolarHBondContact O-CB 3.28Å; N444-E447 PolarHBondContact O-N 3Å; E447-N449 VanDerWaalsContact C-N 3.28Å; E447-N449 PolarHBondContact O-N 3.08Å; E447-S450 PolarHBondContact O-N 3.18Å; E447-N455 PolarHBondContact OE1-ND2 3.49Å; E447-N455 PolarHBondContact OE2-ND2 2.98Å; E447-S457 PolarHBondContact OE2-OG 2.72Å; E447-R461 IonicContact OE1-CZ 3.15Å; E447-R461 IonicContact OE1-NH2 2.84Å; E447-R461 PolarHBondContact OE1-NH2 2.89Å; E447-R461 IonicContact OE2-NH2 3.9Å; E447-R461 PolarHBondContact OE2-NH2 2.86Å; E447-F752 HydrophobicContact CG-CD1 4.04Å; E447-F752 HydrophobicContact CG-CE1 3.88Å
448R86.7Confident87.3Confident87 Ų8736.3 Ų36.333%0.32821%0.21SC..Hα-helixtrans-60.1-34.7179.7-74.2171.7178.1178.30.2113.7N444 L445 V446 D749 F752N444-R448 WeakPolarHBondContact O-CB 3.35Å; N444-R448 VanDerWaalsContact O-CG 3.29Å; N444-R448 WeakPolarHBondContact O-CG 3.46Å; N444-R448 PolarHBondContact O-N 3.16Å; L445-R448 PolarHBondContact O-N 2.97Å; V446-R448 VanDerWaalsContact C-N 3.33Å; V446-R448 PolarHBondContact O-N 2.92Å; R448-D749 IonicContact CZ-OD1 2.66Å; R448-D749 IonicContact NH2-OD1 3.11Å; R448-D749 PolarHBondContact NH2-OD1 2.94Å; R448-F752 HydrophobicContact CB-CE2 4.4Å; R448-F752 HydrophobicContact CB-CZ 4.25Å; R448-F752 HydrophobicContact CG-CD2 4.31Å; R448-F752 HydrophobicContact CG-CE2 3.56Å; R448-F752 HydrophobicContact CG-CZ 3.81Å
449N86.8Confident87.1Confident84 Ų8436.2 Ų36.245%0.44921%0.21SC..Hα-helixtrans-97.1-2.8-177.4-70.9-87.6000113.7F366 L445 V446 E447F366-N449 HydrophobicContact CD1-CB 3.59Å; F366-N449 HydrophobicContact CE1-CB 4.15Å; F366-N449 HydrophobicContact CG-CB 4.33Å; L445-N449 PolarHBondContact O-N 3.29Å; L445-N449 VanDerWaalsContact O-N 3.13Å; L445-N449 PolarHBondContact O-ND2 3.1Å; V446-N449 PolarHBondContact O-N 2.93Å; E447-N449 VanDerWaalsContact C-N 3.28Å; E447-N449 PolarHBondContact O-N 3.08Å
450S82Confident87.1Confident4 Ų436.2 Ų36.23%0.02821%0.21CC..Hα-helixtrans-106.61.5-178.9-53.70000113.4V446 E447 G452 S453V446-S450 VanDerWaalsContact O-CB 3.24Å; V446-S450 WeakPolarHBondContact O-CB 3.42Å; V446-S450 PolarHBondContact O-N 2.79Å; V446-S450 PolarHBondContact O-OG 2.99Å; E447-S450 PolarHBondContact O-N 3.18Å; S450-G452 PolarHBondContact O-N 3.26Å; S450-S453 PolarHBondContact O-N 3.23Å; S450-S453 PolarHBondContact O-OG 3.35Å
451A66.9Low87Confident31 Ų3134.5 Ų34.526%0.25620%0.2SC..THydrogen-bonded Turntrans-54.6120.3178.600000111.4M726 F728A451-M726 VanDerWaalsContact CB-O 3.28Å; A451-M726 WeakPolarHBondContact CB-O 3.43Å; A451-F728 HydrophobicContact CB-CE1 4.13Å; A451-F728 HydrophobicContact CB-CZ 3.96Å
452G64.3Low87Confident88 Ų8833.1 Ų33.191%0.90719%0.193SC*.THydrogen-bonded Turntrans85.34-176.400000116.2S450S450-G452 PolarHBondContact O-N 3.26Å
453S72.3Confident87Confident54 Ų5434.1 Ų34.138%0.37820%0.198SC..SBendtrans-131.4-176.8178.370.70000112.7S450 N455S450-S453 PolarHBondContact O-N 3.23Å; S450-S453 PolarHBondContact O-OG 3.35Å; S453-N455 PolarHBondContact O-N 3.13Å
454E77.4Confident87Confident148 Ų14834.1 Ų34.169%0.69220%0.199SC*.  trans-67126.1172.8-72.6-174.4173.900110.2M346M346-E454 WeakPolarHBondContact CE-O 3.32Å
455N87.6Confident87.2Confident16 Ų1631.1 Ų31.19%0.08618%0.182CC..  trans-104.4115.3-177.6-170-12000111.4V446 E447 S453 S457 D458V446-N455 WeakPolarHBondContact CG1-OD1 3.27Å; E447-N455 PolarHBondContact OE1-ND2 3.49Å; E447-N455 PolarHBondContact OE2-ND2 2.98Å; S453-N455 PolarHBondContact O-N 3.13Å; N455-S457 PolarHBondContact ND2-OG 2.91Å; N455-S457 PolarHBondContact O-N 3.21Å; N455-S457 VanDerWaalsContact OD1-CB 3.3Å; N455-S457 WeakPolarHBondContact OD1-CB 3.04Å; N455-S457 PolarHBondContact OD1-N 2.94Å; N455-S457 PolarHBondContact OD1-OG 2.97Å; N455-D458 WeakPolarHBondContact O-CB 3.14Å; N455-D458 PolarHBondContact O-N 2.97Å
456P91.1Very high87.2Confident4 Ų431.5 Ų31.53%0.02618%0.183CC..G310 helixtrans-71.1-14178.428.9-32.9000113.2D342 F343 M346 Y347 V446 D458 S459D342-P456 HydrophobicContact CB-CB 4.14Å; F343-P456 HydrophobicContact CD1-CB 4.29Å; F343-P456 HydrophobicContact CD1-CG 4.3Å; F343-P456 HydrophobicContact CD2-CB 3.91Å; F343-P456 HydrophobicContact CE1-CB 4.29Å; F343-P456 HydrophobicContact CE1-CG 4.15Å; F343-P456 HydrophobicContact CE2-CB 3.87Å; F343-P456 WeakPolarHBondContact CE2-O 3.37Å; F343-P456 HydrophobicContact CG-CB 4.1Å; F343-P456 HydrophobicContact CZ-CB 4.07Å; F343-P456 HydrophobicContact CZ-CG 4.27Å; M346-P456 HydrophobicContact CB-CG 4.28Å; M346-P456 HydrophobicContact CG-CG 4.2Å; Y347-P456 HydrophobicContact CE2-CG 4.04Å; V446-P456 HydrophobicContact CG1-CG 3.74Å; P456-D458 PolarHBondContact O-N 3.5Å; P456-S459 PolarHBondContact O-N 3.03Å
457S91.4Very high87.3Confident0 Ų033.7 Ų33.70%019%0.191CC..G310 helixtrans-66.5-24.317377.30000112.7E447 N455 S459 F460 R461E447-S457 PolarHBondContact OE2-OG 2.72Å; N455-S457 PolarHBondContact ND2-OG 2.91Å; N455-S457 PolarHBondContact O-N 3.21Å; N455-S457 VanDerWaalsContact OD1-CB 3.3Å; N455-S457 WeakPolarHBondContact OD1-CB 3.04Å; N455-S457 PolarHBondContact OD1-N 2.94Å; N455-S457 PolarHBondContact OD1-OG 2.97Å; S457-S459 PolarHBondContact O-N 2.9Å; S457-F460 PolarHBondContact O-N 3.15Å; S457-R461 PolarHBondContact O-N 2.84Å
458D90.8Very high87.5Confident21 Ų2133.5 Ų33.511%0.11219%0.193CC..G310 helixtrans-58.9-23178.9-67.9-13.1000112.2N455 P456 F460 R461N455-D458 WeakPolarHBondContact O-CB 3.14Å; N455-D458 PolarHBondContact O-N 2.97Å; P456-D458 PolarHBondContact O-N 3.5Å; D458-F460 VanDerWaalsContact C-N 3.26Å; D458-F460 PolarHBondContact O-N 2.95Å; D458-R461 IonicContact OD1-CZ 2.95Å; D458-R461 VanDerWaalsContact OD1-CZ 3.25Å; D458-R461 IonicContact OD1-NH1 2.73Å; D458-R461 PolarHBondContact OD1-NH1 3.48Å; D458-R461 IonicContact OD1-NH2 2.79Å; D458-R461 PolarHBondContact OD1-NH2 2.76Å
459S92.9Very high87.8Confident0 Ų031.8 Ų31.80%019%0.188CC..G310 helixtrans-70.2-21.7176.1-61.60000113.4D342 P456 S457 E566 Y567 K799D342-S459 PolarHBondContact OD2-OG 3.35Å; P456-S459 PolarHBondContact O-N 3.03Å; S457-S459 PolarHBondContact O-N 2.9Å; S459-E566 PolarHBondContact O-N 3.06Å; S459-E566 PolarHBondContact OG-OE2 3.15Å; S459-Y567 PolarHBondContact O-N 2.71Å; S459-K799 PolarHBondContact OG-NZ 3.11Å; S459-K799 VanDerWaalsContact OG-NZ 3.11Å
460F95.3Very high88Confident0 Ų027.8 Ų27.80%017%0.167CC..THydrogen-bonded Turntrans-99.6-24174.7-57.3-61.8000113.2L337 I340 F343 F439 I443 S457 D458 F462 Y484 P565 Y567 V569 F856L337-F460 HydrophobicContact CD2-CE2 3.73Å; L337-F460 HydrophobicContact CD2-CZ 3.66Å; I340-F460 HydrophobicContact CD1-CE1 3.53Å; I340-F460 HydrophobicContact CD1-CE2 4.45Å; I340-F460 HydrophobicContact CD1-CZ 3.28Å; F343-F460 HydrophobicContact CE2-CD2 4.32Å; F343-F460 AromaticContact CE2-CE2 3.43Å; F343-F460 HydrophobicContact CE2-CE2 3.43Å; F343-F460 VanDerWaalsContact CE2-CE2 3.43Å; F343-F460 HydrophobicContact CE2-CZ 4.04Å; F343-F460 AromaticContact CZ-CE2 3.78Å; F343-F460 HydrophobicContact CZ-CE2 3.78Å; F439-F460 HydrophobicContact CE2-CE2 4.12Å; F439-F460 HydrophobicContact CE2-CZ 4.19Å; F439-F460 HydrophobicContact CZ-CD2 4.23Å; F439-F460 HydrophobicContact CZ-CE2 4.27Å; F439-F460 HydrophobicContact CZ-CG 4.35Å; F439-F460 HydrophobicContact CZ-CZ 4.45Å; I443-F460 HydrophobicContact CD1-CD2 3.75Å; I443-F460 HydrophobicContact CD1-CE2 3.71Å; S457-F460 PolarHBondContact O-N 3.15Å; D458-F460 VanDerWaalsContact C-N 3.26Å; D458-F460 PolarHBondContact O-N 2.95Å; F460-F462 WeakPolarHBondContact O-CD1 3.47Å; F460-F462 PolarHBondContact O-N 2.78Å; F460-Y484 HydrophobicContact CB-CD1 4.1Å; F460-P565 WeakPolarHBondContact O-CB 3.16Å; F460-Y567 HydrophobicContact CE1-CG 4.42Å; F460-V569 HydrophobicContact CD1-CG2 3.54Å; F460-V569 HydrophobicContact CE1-CG2 3.92Å; F460-V569 HydrophobicContact CG-CG2 4.29Å; F460-F856 HydrophobicContact CE1-CD1 4.19Å; F460-F856 HydrophobicContact CE1-CE1 4.25Å
461R94.3Very high88.4Confident17 Ų1730.4 Ų30.46%0.06419%0.185CC..  trans-65.6132.6-173.5-166.7-175.9-71.9144.90111.5E447 S457 D458 V482 Y484 R797 V798E447-R461 IonicContact OE1-CZ 3.15Å; E447-R461 IonicContact OE1-NH2 2.84Å; E447-R461 PolarHBondContact OE1-NH2 2.89Å; E447-R461 IonicContact OE2-NH2 3.9Å; E447-R461 PolarHBondContact OE2-NH2 2.86Å; S457-R461 PolarHBondContact O-N 2.84Å; D458-R461 IonicContact OD1-CZ 2.95Å; D458-R461 VanDerWaalsContact OD1-CZ 3.25Å; D458-R461 IonicContact OD1-NH1 2.73Å; D458-R461 PolarHBondContact OD1-NH1 3.48Å; D458-R461 IonicContact OD1-NH2 2.79Å; D458-R461 PolarHBondContact OD1-NH2 2.76Å; R461-V482 HydrophobicContact CG-CG1 3.42Å; R461-V482 VanDerWaalsContact CG-CG1 3.42Å; R461-Y484 HydrophobicContact CB-CD1 4.16Å; R461-Y484 HydrophobicContact CB-CE1 3.78Å; R461-Y484 HydrophobicContact CG-CE1 4.01Å; R461-Y484 PolarHBondContact NE-OH 3.13Å; R461-Y484 VanDerWaalsContact NE-OH 3.11Å; R461-Y484 PolarHBondContact NH2-OH 3.3Å; R461-Y484 VanDerWaalsContact NH2-OH 3.1Å; R461-R797 WeakPolarHBondContact CD-O 3.42Å; R461-R797 PolarHBondContact NH1-O 3.25Å; R461-R797 VanDerWaalsContact NH1-O 3.08Å; R461-V798 HydrophobicContact CG-CG2 4.02Å
462F94.7Very high89.5Confident0 Ų035.3 Ų35.30%020%0.202CC..EExtended strand (participates in β ladder)trans-145.3169.8172.367.9-80.9000112F460 V464 V482 D483 I486 F561 P565F460-F462 WeakPolarHBondContact O-CD1 3.47Å; F460-F462 PolarHBondContact O-N 2.78Å; F462-V464 HydrophobicContact CD2-CG2 4.05Å; F462-V464 HydrophobicContact CE2-CG2 3.45Å; F462-V464 VanDerWaalsContact CE2-CG2 3.45Å; F462-V464 HydrophobicContact CZ-CG2 4.31Å; F462-V482 WeakPolarHBondContact O-CA 3.3Å; F462-D483 VanDerWaalsContact CD1-O 3.3Å; F462-D483 WeakPolarHBondContact CD1-O 3.49Å; F462-D483 HydrophobicContact CE1-CB 4.02Å; F462-D483 HydrophobicContact CE2-CB 4.08Å; F462-D483 HydrophobicContact CZ-CB 3.68Å; F462-D483 PolarHBondContact N-O 3.49Å; F462-D483 PolarHBondContact O-N 3.23Å; F462-I486 HydrophobicContact CE1-CG2 4.23Å; F462-I486 HydrophobicContact CE2-CG2 3.79Å; F462-I486 HydrophobicContact CZ-CG2 3.33Å; F462-F561 AromaticContact CD2-CD1 3.88Å; F462-F561 HydrophobicContact CD2-CD1 3.88Å; F462-F561 HydrophobicContact CD2-CE1 4.15Å; F462-F561 AromaticContact CE2-CD1 3.9Å; F462-F561 HydrophobicContact CE2-CD1 3.9Å; F462-F561 AromaticContact CE2-CE1 3.77Å; F462-F561 HydrophobicContact CE2-CE1 3.77Å; F462-F561 HydrophobicContact CZ-CE1 4.46Å; F462-P565 HydrophobicContact CB-CB 4.11Å; F462-P565 HydrophobicContact CB-CG 4.01Å; F462-P565 HydrophobicContact CD1-CB 4.43Å; F462-P565 HydrophobicContact CD1-CG 3.9Å; F462-P565 HydrophobicContact CG-CG 4.16Å
463L94.9Very high90.6Very high21 Ų2132.6 Ų32.611%0.1117%0.169CC..EExtended strand (participates in β ladder)trans-107.4131.2179.1-63.1174.3000110.3R481 V482 A562 S563 P796 V798L463-R481 WeakPolarHBondContact CA-O 3.48Å; L463-V482 HydrophobicContact CD2-CG2 3.79Å; L463-A562 HydrophobicContact CB-CB 3.68Å; L463-A562 PolarHBondContact O-N 2.94Å; L463-S563 WeakPolarHBondContact CB-OG 3.3Å; L463-S563 PolarHBondContact N-OG 3.12Å; L463-S563 PolarHBondContact O-N 3.26Å; L463-P796 HydrophobicContact CD2-CG 4Å; L463-V798 HydrophobicContact CD2-CG2 4.35Å; L463-V798 HydrophobicContact CG-CG2 4.09Å
464V93.4Very high91.5Very high2 Ų239.3 Ų39.31%0.01219%0.186CC..EExtended strand (participates in β ladder)trans-101.9125.8168.5179.60000107.9F462 E466 Q480 R481 D483 R560F462-V464 HydrophobicContact CD2-CG2 4.05Å; F462-V464 HydrophobicContact CE2-CG2 3.45Å; F462-V464 VanDerWaalsContact CE2-CG2 3.45Å; F462-V464 HydrophobicContact CZ-CG2 4.31Å; V464-E466 HydrophobicContact CG1-CG 4.22Å; V464-Q480 WeakPolarHBondContact O-CA 3.05Å; V464-R481 HydrophobicContact CB-CG 3.97Å; V464-R481 PolarHBondContact N-O 2.92Å; V464-R481 PolarHBondContact O-N 2.73Å; V464-D483 HydrophobicContact CG2-CB 4.16Å; V464-R560 CarbonylContact C-O 3.44Å; V464-R560 WeakPolarHBondContact CA-O 3.47Å
465E94.6Very high92.2Very high14 Ų1435.9 Ų35.97%0.06517%0.167CC..EExtended strand (participates in β ladder)trans-90.8122168.9-175.2176.9100.800108.8Y478 A479 S559 R560 A562 A603 G605E465-Y478 HydrophobicContact CG-CD1 3.83Å; E465-Y478 WeakPolarHBondContact OE1-CD1 3.34Å; E465-Y478 WeakPolarHBondContact OE1-CE1 3.21Å; E465-A479 WeakPolarHBondContact CA-O 3.37Å; E465-S559 CarbonylContact O-C 3.53Å; E465-S559 WeakPolarHBondContact O-CA 3.13Å; E465-R560 PolarHBondContact N-O 2.7Å; E465-R560 PolarHBondContact O-N 2.85Å; E465-A562 HydrophobicContact CB-CB 4.15Å; E465-A603 HydrophobicContact CB-CB 3.66Å; E465-A603 VanDerWaalsContact CD-CB 3.5Å; E465-A603 HydrophobicContact CG-CB 4.19Å; E465-A603 WeakPolarHBondContact OE1-CB 3.31Å; E465-G605 PolarHBondContact OE1-N 2.73Å; E465-G605 WeakPolarHBondContact OE2-CA 3.3Å; E465-G605 PolarHBondContact OE2-N 3.1Å
466E93.3Very high92.5Very high36 Ų3635.1 Ų35.117%0.16816%0.163CC..EExtended strand (participates in β ladder)trans-105.7117.9172.8-60.1-166.9157.900108.8V464 Y478 A479 R481 K557V464-E466 HydrophobicContact CG1-CG 4.22Å; E466-Y478 CarbonylContact O-C 3.52Å; E466-Y478 WeakPolarHBondContact O-CA 3.47Å; E466-A479 PolarHBondContact N-O 3.47Å; E466-A479 PolarHBondContact O-N 3.42Å; E466-R481 IonicContact OE1-CZ 3.31Å; E466-R481 IonicContact OE1-NE 2.71Å; E466-R481 PolarHBondContact OE1-NE 2.88Å; E466-R481 IonicContact OE1-NH2 3.23Å; E466-K557 IonicContact OE1-NZ 3.31Å; E466-K557 PolarHBondContact OE1-NZ 2.88Å; E466-K557 VanDerWaalsContact OE1-NZ 3.15Å; E466-K557 WeakPolarHBondContact OE2-CE 3.4Å; E466-K557 IonicContact OE2-NZ 3.23Å; E466-K557 PolarHBondContact OE2-NZ 3.31Å
467R93.7Very high92.4Very high45 Ų4538.9 Ų38.917%0.1718%0.177CC..EExtended strand (participates in β ladder)trans-104.4122.8175.4175.6-172-179-81.33.2108.9Q469 V476 R477 Y478 K557 T558 E610R467-Q469 VanDerWaalsContact CZ-OE1 3.3Å; R467-V476 VanDerWaalsContact NH2-CG1 3.32Å; R467-R477 WeakPolarHBondContact CA-O 3.45Å; R467-Y478 HydrophobicContact CB-CD1 3.84Å; R467-Y478 HydrophobicContact CB-CE1 3.64Å; R467-Y478 VanDerWaalsContact CD-OH 3.24Å; R467-Y478 WeakPolarHBondContact CD-OH 3.34Å; R467-Y478 HydrophobicContact CG-CD1 4.12Å; R467-Y478 HydrophobicContact CG-CE1 3.59Å; R467-Y478 HydrophobicContact CG-CE2 4.32Å; R467-Y478 PolarHBondContact NE-OH 2.89Å; R467-K557 CarbonylContact O-C 3.56Å; R467-K557 WeakPolarHBondContact O-CA 3.31Å; R467-T558 WeakPolarHBondContact CB-OG1 3.48Å; R467-T558 PolarHBondContact N-O 3.36Å; R467-T558 PolarHBondContact O-N 2.95Å; R467-T558 PolarHBondContact O-OG1 2.8Å; R467-E610 IonicContact CZ-OE1 2.86Å; R467-E610 IonicContact NE-OE1 2.86Å; R467-E610 PolarHBondContact NE-OE1 3.32Å; R467-E610 IonicContact NH2-OE1 2.67Å; R467-E610 PolarHBondContact NH2-OE1 2.77Å
468V92.5Very high92.5Very high32 Ų3241.2 Ų41.219%0.19419%0.186CC..EExtended strand (participates in β ladder)trans-111.2129173.7-179.40000108.9V476 R477 F544 V556 K557V468-V476 CarbonylContact O-C 3.49Å; V468-V476 VanDerWaalsContact O-CA 3.24Å; V468-V476 WeakPolarHBondContact O-CA 3.49Å; V468-R477 PolarHBondContact N-O 3.44Å; V468-R477 PolarHBondContact O-N 3.44Å; V468-F544 HydrophobicContact CG1-CD2 4.11Å; V468-F544 HydrophobicContact CG1-CE1 4.37Å; V468-F544 HydrophobicContact CG1-CE2 3.6Å; V468-F544 HydrophobicContact CG1-CZ 3.74Å; V468-V556 CarbonylContact C-O 3.56Å; V468-V556 WeakPolarHBondContact CA-O 3.35Å; V468-K557 HydrophobicContact CG2-CG 4.23Å
469Q93.1Very high92.5Very high51 Ų5142.7 Ų42.724%0.23820%0.201CC..EExtended strand (participates in β ladder)trans-122.6130.8178.3-178.9-178.7-21.700110.7R467 R475 V476 G555 V556R467-Q469 VanDerWaalsContact CZ-OE1 3.3Å; Q469-R475 WeakPolarHBondContact CA-O 3.48Å; Q469-V476 HydrophobicContact CB-CG1 4.01Å; Q469-V476 HydrophobicContact CG-CG1 3.92Å; Q469-G555 CarbonylContact O-C 3.48Å; Q469-G555 WeakPolarHBondContact O-CA 3.35Å; Q469-V556 PolarHBondContact N-O 3.33Å; Q469-V556 PolarHBondContact O-N 2.67Å
470C91.9Very high92.4Very high0 Ų048.4 Ų48.40%023%0.228CC..EExtended strand (participates in β ladder)trans-72.8129.3169.1177.90000110.5Q472 S473 R474 R475 F544 S546 L549 L613C470-Q472 VanDerWaalsContact C-N 3.29Å; C470-Q472 PolarHBondContact O-N 2.86Å; C470-S473 VanDerWaalsContact CB-OG 3.23Å; C470-S473 WeakPolarHBondContact CB-OG 3.42Å; C470-S473 PolarHBondContact SG-OG 2.95Å; C470-S473 VanDerWaalsContact SG-OG 3.4Å; C470-R474 VanDerWaalsContact O-CA 3.22Å; C470-R474 WeakPolarHBondContact O-CA 3.44Å; C470-R474 PolarHBondContact O-N 3.44Å; C470-R475 PolarHBondContact N-O 3.3Å; C470-F544 HydrophobicContact CB-CE1 4.17Å; C470-S546 PolarHBondContact SG-OG 3.18Å; C470-S546 VanDerWaalsContact SG-OG 3.42Å; C470-L549 VanDerWaalsContact SG-CD1 3.56Å; C470-L613 HydrophobicContact CB-CD2 4.42Å
471C90.3Very high92.2Very high59 Ų5952.7 Ų52.740%0.39924%0.244SC..THydrogen-bonded Turntrans-65.1-32.2-179.4-68.30000113.3A554C471-A554 HydrophobicContact CB-CB 4.25Å; C471-A554 VanDerWaalsContact CB-O 3.29Å; C471-A554 WeakPolarHBondContact CB-O 3.43Å; C471-A554 PolarHBondContact N-O 3.48Å; C471-A554 PolarHBondContact SG-O 3.33Å
472Q88.8Confident92.1Very high133 Ų13354.7 Ų54.762%0.62126%0.258SS*.THydrogen-bonded Turntrans-87.7-52.6-174.7-74.3178.427.600112.2C470 L549 S553C470-Q472 VanDerWaalsContact C-N 3.29Å; C470-Q472 PolarHBondContact O-N 2.86Å; Q472-L549 HydrophobicContact CB-CD1 3.59Å; Q472-L549 HydrophobicContact CG-CD1 4.43Å; Q472-S553 WeakPolarHBondContact CG-OG 3.4Å; Q472-S553 PolarHBondContact NE2-OG 2.85Å
473S88.6Confident92Very high32 Ų3256.3 Ų56.322%0.22427%0.267CS..THydrogen-bonded Turntrans-81.3-15.4-178.868.10000113.6C470 R475C470-S473 VanDerWaalsContact CB-OG 3.23Å; C470-S473 WeakPolarHBondContact CB-OG 3.42Å; C470-S473 PolarHBondContact SG-OG 2.95Å; C470-S473 VanDerWaalsContact SG-OG 3.4Å; S473-R475 PolarHBondContact O-N 2.84Å; S473-R475 PolarHBondContact OG-N 3.02Å
474R91.4Very high92Very high194 Ų19456.9 Ų56.973%0.73227%0.268SS*.  trans59.25.9-172-57.9-173.8175.5-169.1-1115.3C470C470-R474 VanDerWaalsContact O-CA 3.22Å; C470-R474 WeakPolarHBondContact O-CA 3.44Å; C470-R474 PolarHBondContact O-N 3.44Å
475R91.4Very high92.1Very high76 Ų7656.9 Ų56.929%0.28727%0.268SS..  trans-73.4151.3175.3-60.6-161.2178.91560111.3Q469 C470 S473 A548 E611 E612 L613Q469-R475 WeakPolarHBondContact CA-O 3.48Å; C470-R475 PolarHBondContact N-O 3.3Å; S473-R475 PolarHBondContact O-N 2.84Å; S473-R475 PolarHBondContact OG-N 3.02Å; R475-A548 HydrophobicContact CG-CB 4.43Å; R475-E611 CarbonylContact C-O 3.52Å; R475-E611 WeakPolarHBondContact CA-O 3.36Å; R475-E611 WeakPolarHBondContact CB-O 3.16Å; R475-E611 HydrophobicContact CG-CB 3.97Å; R475-E611 IonicContact CZ-OE2 2.63Å; R475-E611 IonicContact NE-OE2 3.48Å; R475-E611 PolarHBondContact NE-OE2 2.76Å; R475-E611 IonicContact NH2-OE2 3.55Å; R475-E611 PolarHBondContact NH2-OE2 3.4Å; R475-E612 WeakPolarHBondContact CD-O 3.16Å; R475-L613 HydrophobicContact CB-CD2 3.74Å; R475-L613 HydrophobicContact CB-CG 3.87Å
476V93.2Very high92.1Very high0 Ų056.3 Ų56.30%027%0.265CS..EExtended strand (participates in β ladder)trans-123.2157.2-170.3-60.30000112.1R467 V468 Q469 Y478 L606 E610 E611 E612 L613R467-V476 VanDerWaalsContact NH2-CG1 3.32Å; V468-V476 CarbonylContact O-C 3.49Å; V468-V476 VanDerWaalsContact O-CA 3.24Å; V468-V476 WeakPolarHBondContact O-CA 3.49Å; Q469-V476 HydrophobicContact CB-CG1 4.01Å; Q469-V476 HydrophobicContact CG-CG1 3.92Å; V476-Y478 HydrophobicContact CB-CE2 4.18Å; V476-Y478 HydrophobicContact CG2-CD2 4.28Å; V476-Y478 HydrophobicContact CG2-CE2 3.66Å; V476-L606 HydrophobicContact CG2-CD1 3.75Å; V476-E610 HydrophobicContact CG2-CB 3.83Å; V476-E610 HydrophobicContact CG2-CG 4.48Å; V476-E611 PolarHBondContact N-O 2.83Å; V476-E612 CarbonylContact O-C 3.54Å; V476-E612 VanDerWaalsContact O-CA 3.24Å; V476-E612 WeakPolarHBondContact O-CA 3.48Å; V476-L613 PolarHBondContact O-N 3.32Å
477R91Very high92.1Very high84 Ų8458.1 Ų58.132%0.31727%0.274SS..EExtended strand (participates in β ladder)trans-137135.3167-180174.3-71.1157.7-1.1108.6R467 V468 L613 P614R467-R477 WeakPolarHBondContact CA-O 3.45Å; V468-R477 PolarHBondContact N-O 3.44Å; V468-R477 PolarHBondContact O-N 3.44Å; R477-L613 HydrophobicContact CB-CB 4.44Å; R477-L613 HydrophobicContact CB-CD1 4.04Å; R477-P614 PolarHBondContact NH2-O 2.84Å
478Y92.1Very high92.1Very high48 Ų4856 Ų5619%0.18827%0.266CS..EExtended strand (participates in β ladder)trans-107.8133.7175-68.4-94.5000109.1E465 E466 R467 V476 G605 L606 E610E465-Y478 HydrophobicContact CG-CD1 3.83Å; E465-Y478 WeakPolarHBondContact OE1-CD1 3.34Å; E465-Y478 WeakPolarHBondContact OE1-CE1 3.21Å; E466-Y478 CarbonylContact O-C 3.52Å; E466-Y478 WeakPolarHBondContact O-CA 3.47Å; R467-Y478 HydrophobicContact CB-CD1 3.84Å; R467-Y478 HydrophobicContact CB-CE1 3.64Å; R467-Y478 VanDerWaalsContact CD-OH 3.24Å; R467-Y478 WeakPolarHBondContact CD-OH 3.34Å; R467-Y478 HydrophobicContact CG-CD1 4.12Å; R467-Y478 HydrophobicContact CG-CE1 3.59Å; R467-Y478 HydrophobicContact CG-CE2 4.32Å; R467-Y478 PolarHBondContact NE-OH 2.89Å; V476-Y478 HydrophobicContact CB-CE2 4.18Å; V476-Y478 HydrophobicContact CG2-CD2 4.28Å; V476-Y478 HydrophobicContact CG2-CE2 3.66Å; Y478-G605 PolarHBondContact OH-O 3.14Å; Y478-L606 HydrophobicContact CD2-CB 4.24Å; Y478-L606 HydrophobicContact CD2-CD1 4.13Å; Y478-L606 HydrophobicContact CE2-CB 4.06Å; Y478-L606 HydrophobicContact CE2-CD1 3.67Å; Y478-L606 HydrophobicContact CE2-CG 4.5Å; Y478-E610 PolarHBondContact OH-OE1 2.84Å; Y478-E610 PolarHBondContact OH-OE2 2.87Å
479A91.1Very high92.1Very high53 Ų5356.5 Ų56.544%0.43827%0.269SS..EExtended strand (participates in β ladder)trans-128.7143.2171.400000108.6E465 E466E465-A479 WeakPolarHBondContact CA-O 3.37Å; E466-A479 PolarHBondContact N-O 3.47Å; E466-A479 PolarHBondContact O-N 3.42Å
480Q91.7Very high92Very high119 Ų11954.7 Ų54.756%0.55626%0.263SS*.EExtended strand (participates in β ladder)trans-111.6139.9173.7-66.9-174.1-4.700109.6V464V464-Q480 WeakPolarHBondContact O-CA 3.05Å
481R90.6Very high91.9Very high90 Ų9056.5 Ų56.534%0.3428%0.275SS..EExtended strand (participates in β ladder)trans-133.1146.7174.365.9-179.1-174.376.63.3111.2L463 V464 E466 D483L463-R481 WeakPolarHBondContact CA-O 3.48Å; V464-R481 HydrophobicContact CB-CG 3.97Å; V464-R481 PolarHBondContact N-O 2.92Å; V464-R481 PolarHBondContact O-N 2.73Å; E466-R481 IonicContact OE1-CZ 3.31Å; E466-R481 IonicContact OE1-NE 2.71Å; E466-R481 PolarHBondContact OE1-NE 2.88Å; E466-R481 IonicContact OE1-NH2 3.23Å; R481-D483 IonicContact CZ-OD2 3.34Å; R481-D483 IonicContact NH1-OD2 3.96Å; R481-D483 PolarHBondContact NH1-OD2 2.87Å; R481-D483 IonicContact NH2-OD2 3.94Å
482V91.9Very high91.7Very high59 Ų5957.6 Ų57.636%0.35828%0.276SS..EExtended strand (participates in β ladder)trans-78.8138.2173.6-179.60000109.6R461 F462 L463 Y484 P796R461-V482 HydrophobicContact CG-CG1 3.42Å; R461-V482 VanDerWaalsContact CG-CG1 3.42Å; F462-V482 WeakPolarHBondContact O-CA 3.3Å; L463-V482 HydrophobicContact CD2-CG2 3.79Å; V482-Y484 HydrophobicContact CG1-CE2 4.49Å; V482-P796 HydrophobicContact CG2-CB 3.99Å; V482-P796 HydrophobicContact CG2-CG 3.5Å; V482-P796 VanDerWaalsContact CG2-CG 3.5Å
483D93.4Very high91.6Very high34 Ų3458.9 Ų58.918%0.18228%0.282CS..EExtended strand (participates in β ladder)trans-142.6161.1173.5-150.8-30000110.6F462 V464 R481 C485F462-D483 VanDerWaalsContact CD1-O 3.3Å; F462-D483 WeakPolarHBondContact CD1-O 3.49Å; F462-D483 HydrophobicContact CE1-CB 4.02Å; F462-D483 HydrophobicContact CE2-CB 4.08Å; F462-D483 HydrophobicContact CZ-CB 3.68Å; F462-D483 PolarHBondContact N-O 3.49Å; F462-D483 PolarHBondContact O-N 3.23Å; V464-D483 HydrophobicContact CG2-CB 4.16Å; R481-D483 IonicContact CZ-OD2 3.34Å; R481-D483 IonicContact NH1-OD2 3.96Å; R481-D483 PolarHBondContact NH1-OD2 2.87Å; R481-D483 IonicContact NH2-OD2 3.94Å; D483-C485 PolarHBondContact OD1-N 3.1Å; D483-C485 VanDerWaalsContact OD1-N 3.11Å
484Y94.2Very high91.6Very high33 Ų3359.3 Ų59.313%0.12929%0.288CS..SBendtrans-121.1-16.2178-62.9-83.3000112.4I443 F460 R461 V482I443-Y484 HydrophobicContact CG2-CD1 3.91Å; I443-Y484 HydrophobicContact CG2-CD2 4.49Å; I443-Y484 HydrophobicContact CG2-CE1 3.92Å; I443-Y484 HydrophobicContact CG2-CE2 4.49Å; I443-Y484 HydrophobicContact CG2-CG 4.21Å; F460-Y484 HydrophobicContact CB-CD1 4.1Å; R461-Y484 HydrophobicContact CB-CD1 4.16Å; R461-Y484 HydrophobicContact CB-CE1 3.78Å; R461-Y484 HydrophobicContact CG-CE1 4.01Å; R461-Y484 PolarHBondContact NE-OH 3.13Å; R461-Y484 VanDerWaalsContact NE-OH 3.11Å; R461-Y484 PolarHBondContact NH2-OH 3.3Å; R461-Y484 VanDerWaalsContact NH2-OH 3.1Å; V482-Y484 HydrophobicContact CG1-CE2 4.49Å
485C95.3Very high91.5Very high2 Ų250.6 Ų50.61%0.01426%0.257CS..  trans-146.2128.6-176.6-179.10000111.1H436 D483 V569H436-C485 PolarHBondContact NE2-SG 3.46Å; H436-C485 VanDerWaalsContact NE2-SG 3.38Å; D483-C485 PolarHBondContact OD1-N 3.1Å; D483-C485 VanDerWaalsContact OD1-N 3.11Å; C485-V569 WeakPolarHBondContact CA-O 3.07Å; C485-V569 HydrophobicContact CB-CB 4.27Å; C485-V569 HydrophobicContact CB-CG1 4.29Å
486I94.4Very high91.5Very high2 Ų251.4 Ų51.41%0.0127%0.271CS..EExtended strand (participates in β ladder)trans-82.8131169.463.9170.7000110.2F462 L488 F561 L568 V569 V570 Q571F462-I486 HydrophobicContact CE1-CG2 4.23Å; F462-I486 HydrophobicContact CE2-CG2 3.79Å; F462-I486 HydrophobicContact CZ-CG2 3.33Å; I486-L488 HydrophobicContact CD1-CD1 4.46Å; I486-L488 HydrophobicContact CD1-CD2 4.11Å; I486-L488 HydrophobicContact CD1-CG 4.27Å; I486-F561 HydrophobicContact CD1-CZ 4.09Å; I486-F561 HydrophobicContact CG2-CE1 3.56Å; I486-F561 HydrophobicContact CG2-CZ 3.69Å; I486-L568 HydrophobicContact CD1-CD1 4.22Å; I486-L568 HydrophobicContact CD1-CD2 4.17Å; I486-L568 HydrophobicContact CD1-CG 4.41Å; I486-L568 HydrophobicContact CG1-CD1 4.28Å; I486-L568 HydrophobicContact CG2-CD1 4.13Å; I486-V569 WeakPolarHBondContact CG1-O 3.3Å; I486-V569 PolarHBondContact N-O 2.84Å; I486-V570 HydrophobicContact CD1-CB 4.37Å; I486-V570 HydrophobicContact CD1-CG1 4.12Å; I486-V570 HydrophobicContact CD1-CG2 3.72Å; I486-V570 HydrophobicContact CG1-CB 4Å; I486-V570 HydrophobicContact CG1-CG1 3.96Å; I486-V570 HydrophobicContact CG1-CG2 3.71Å; I486-V570 CarbonylContact O-C 3.53Å; I486-V570 WeakPolarHBondContact O-CA 3.12Å; I486-Q571 PolarHBondContact O-N 3.19Å
487Q93.8Very high91.4Very high75 Ų7552 Ų5235%0.3527%0.274SS..EExtended strand (participates in β ladder)trans-103.3105176.9-52-175.9-29.300109.7Q571 K573Q487-Q571 WeakPolarHBondContact CA-O 3.45Å; Q487-Q571 VanDerWaalsContact NE2-OE1 3.08Å; Q487-K573 HydrophobicContact CB-CD 4.14Å; Q487-K573 HydrophobicContact CB-CG 4.25Å
488L93.7Very high91.1Very high0 Ų054.1 Ų54.10%028%0.282CS..EExtended strand (participates in β ladder)trans-87.3127.4-178-64.6-177.2000111I486 F528 C531 L532 F535 V570 Q571 I572 K573I486-L488 HydrophobicContact CD1-CD1 4.46Å; I486-L488 HydrophobicContact CD1-CD2 4.11Å; I486-L488 HydrophobicContact CD1-CG 4.27Å; L488-F528 HydrophobicContact CD1-CD2 4.41Å; L488-F528 HydrophobicContact CD1-CE2 3.51Å; L488-F528 HydrophobicContact CD1-CZ 3.64Å; L488-C531 HydrophobicContact CB-CB 4.28Å; L488-C531 HydrophobicContact CD1-CB 4.39Å; L488-L532 HydrophobicContact CD1-CD2 4.12Å; L488-L532 HydrophobicContact CD2-CD2 4.01Å; L488-F535 HydrophobicContact CD2-CB 3.77Å; L488-F535 HydrophobicContact CD2-CD2 4.26Å; L488-F535 HydrophobicContact CD2-CG 3.97Å; L488-V570 HydrophobicContact CD1-CG1 3.42Å; L488-V570 VanDerWaalsContact CD1-CG1 3.42Å; L488-V570 HydrophobicContact CG-CG1 3.79Å; L488-Q571 PolarHBondContact N-O 3.31Å; L488-I572 HydrophobicContact CB-CD1 4.16Å; L488-I572 HydrophobicContact CD1-CD1 4.33Å; L488-K573 WeakPolarHBondContact O-CB 2.96Å; L488-K573 PolarHBondContact O-N 3.37Å
489P92Very high90.9Very high42 Ų4260 Ų6027%0.27331%0.311SS..EExtended strand (participates in β ladder)trans-66.6149.1169.230-33.7000110.1P491 C531 A534P489-P491 VanDerWaalsContact O-CD 3.23Å; P489-P491 WeakPolarHBondContact O-CD 3.02Å; P489-C531 WeakPolarHBondContact O-CB 3.24Å; P489-C531 PolarHBondContact O-SG 2.9Å; P489-A534 HydrophobicContact CG-CB 3.65Å
490A90.3Very high90.7Very high14 Ų1462.8 Ų62.812%0.11632%0.315CS..  trans-11384.1176.700000109.8I492 I526 I572 L588 I590A490-I492 PolarHBondContact O-N 2.94Å; A490-I526 HydrophobicContact CB-CD1 4.23Å; A490-I572 HydrophobicContact CB-CG2 4.35Å; A490-L588 HydrophobicContact CB-CD1 3.5Å; A490-I590 HydrophobicContact CB-CD1 4.37Å
491P90.2Very high90.4Very high38 Ų3858.1 Ų58.125%0.24729%0.294CS..  trans-69.8102.9-176.728.1-34000110.5P489 E493 A494 A530 A534P489-P491 VanDerWaalsContact O-CD 3.23Å; P489-P491 WeakPolarHBondContact O-CD 3.02Å; P491-E493 PolarHBondContact O-N 3.22Å; P491-E493 VanDerWaalsContact O-N 3.16Å; P491-A494 HydrophobicContact CB-CB 4.4Å; P491-A494 HydrophobicContact CG-CB 4.12Å; P491-A494 WeakPolarHBondContact O-CB 3.35Å; P491-A494 PolarHBondContact O-N 3.42Å; P491-A530 HydrophobicContact CG-CB 4.48Å; P491-A534 HydrophobicContact CG-CB 4.19Å
492I85.6Confident90.1Very high81 Ų8158.5 Ų58.542%0.41530%0.302SS..G310 helixtrans-58.6-30.2-179.7-55.7175.5000111.1A490 A494 A495 L586 L588A490-I492 PolarHBondContact O-N 2.94Å; I492-A494 PolarHBondContact O-N 3.17Å; I492-A495 WeakPolarHBondContact O-CB 3.35Å; I492-A495 PolarHBondContact O-N 3.27Å; I492-L586 HydrophobicContact CD1-CD1 4.06Å; I492-L586 HydrophobicContact CD1-CD2 3.75Å; I492-L586 HydrophobicContact CD1-CG 4.47Å; I492-L586 HydrophobicContact CG1-CD1 4.47Å; I492-L588 HydrophobicContact CG1-CD2 4.16Å
493E87Confident89.9Confident161 Ų16158 Ų5875%0.75230%0.304SS*.G310 helixtrans-63.4-26179.4-61.1-177.1-178.400113.5P491 A495 R498P491-E493 PolarHBondContact O-N 3.22Å; P491-E493 VanDerWaalsContact O-N 3.16Å; E493-A495 PolarHBondContact O-N 3.46Å; E493-R498 PolarHBondContact O-NH1 3.26Å
494A88.9Confident89.5Confident41 Ų4158 Ų5834%0.33930%0.301SS..G310 helixtrans-84.49.4177.200000113.2P491 I492 T496 P527 A530P491-A494 HydrophobicContact CB-CB 4.4Å; P491-A494 HydrophobicContact CG-CB 4.12Å; P491-A494 WeakPolarHBondContact O-CB 3.35Å; P491-A494 PolarHBondContact O-N 3.42Å; I492-A494 PolarHBondContact O-N 3.17Å; A494-T496 PolarHBondContact O-N 3.39Å; A494-P527 WeakPolarHBondContact O-CD 3.42Å; A494-A530 HydrophobicContact CB-CB 3.79Å
495A89.9Confident88.9Confident10 Ų1061.2 Ų61.28%0.08332%0.318CS..  trans-62.8128.717800000111.7I492 E493 N497 L501 A524 R525 I526I492-A495 WeakPolarHBondContact O-CB 3.35Å; I492-A495 PolarHBondContact O-N 3.27Å; E493-A495 PolarHBondContact O-N 3.46Å; A495-N497 VanDerWaalsContact C-N 3.31Å; A495-N497 PolarHBondContact O-N 3.23Å; A495-L501 HydrophobicContact CB-CD1 4.08Å; A495-A524 HydrophobicContact CB-CB 4.17Å; A495-R525 WeakPolarHBondContact CA-O 3.08Å; A495-I526 HydrophobicContact CB-CG1 4.47Å
496T91Very high88.5Confident94 Ų9464 Ų6458%0.57734%0.341SS*.THydrogen-bonded Turntrans-70.5-27.1-179.552.50000113.1A494 R525 P527A494-T496 PolarHBondContact O-N 3.39Å; T496-R525 PolarHBondContact N-O 3.06Å; T496-R525 PolarHBondContact OG1-O 3.05Å; T496-R525 VanDerWaalsContact OG1-O 3.04Å; T496-P527 HydrophobicContact CG2-CG 3.62Å
497N91.2Very high88.1Confident12 Ų1270 Ų706%0.06437%0.367CS..THydrogen-bonded Turntrans-105.837.3-17867.8-31.1000113A495 E499 E500 L501 R523 R525A495-N497 VanDerWaalsContact C-N 3.31Å; A495-N497 PolarHBondContact O-N 3.23Å; N497-E499 VanDerWaalsContact C-N 3.31Å; N497-E499 PolarHBondContact O-N 2.93Å; N497-E500 HydrophobicContact CB-CB 4.31Å; N497-E500 HydrophobicContact CB-CG 4.39Å; N497-E500 WeakPolarHBondContact O-CB 3.35Å; N497-E500 PolarHBondContact O-N 3.28Å; N497-E500 VanDerWaalsContact O-N 3.13Å; N497-L501 PolarHBondContact O-N 3.3Å; N497-L501 VanDerWaalsContact O-N 3.08Å; N497-R523 PolarHBondContact ND2-O 2.82Å; N497-R525 PolarHBondContact OD1-N 2.7Å
498R84.6Confident87.4Confident129 Ų12971.2 Ų71.249%0.48737%0.369SS..Hα-helixtrans-57-39.7-175.7-171.1174.2-179128.81.6113.8E493 L501 L502E493-R498 PolarHBondContact O-NH1 3.26Å; R498-L501 PolarHBondContact O-N 3Å; R498-L502 HydrophobicContact CG-CD1 4.37Å; R498-L502 WeakPolarHBondContact O-CG 3.34Å; R498-L502 PolarHBondContact O-N 3.4Å; R498-L502 VanDerWaalsContact O-N 3.07Å
499E87.1Confident86.8Confident171 Ų17177.2 Ų77.280%0.79940%0.395SS*.Hα-helixtrans-65.8-39.1178.5-64.4-177.7178.400112.1N497 L502 A503N497-E499 VanDerWaalsContact C-N 3.31Å; N497-E499 PolarHBondContact O-N 2.93Å; E499-L502 PolarHBondContact O-N 3.47Å; E499-A503 WeakPolarHBondContact O-CB 3.46Å; E499-A503 PolarHBondContact O-N 3.29Å
500E87.7Confident86.5Confident111 Ų11180 Ų8052%0.51940%0.404SS..Hα-helixtrans-66.4-39.9177-60.6179.7174.500111.5N497 A503 Y504 V522N497-E500 HydrophobicContact CB-CB 4.31Å; N497-E500 HydrophobicContact CB-CG 4.39Å; N497-E500 WeakPolarHBondContact O-CB 3.35Å; N497-E500 PolarHBondContact O-N 3.28Å; N497-E500 VanDerWaalsContact O-N 3.13Å; E500-A503 PolarHBondContact O-N 2.74Å; E500-Y504 WeakPolarHBondContact O-CB 3.39Å; E500-Y504 PolarHBondContact O-N 2.9Å; E500-V522 HydrophobicContact CB-CG1 4.21Å
501L84.7Confident86.1Confident22 Ų2279.8 Ų79.812%0.11540%0.402CS..Hα-helixtrans-62-48175.2-79.5168.5000112.2A495 N497 R498 A503 Y504 E505 V522 A524A495-L501 HydrophobicContact CB-CD1 4.08Å; N497-L501 PolarHBondContact O-N 3.3Å; N497-L501 VanDerWaalsContact O-N 3.08Å; R498-L501 PolarHBondContact O-N 3Å; L501-A503 VanDerWaalsContact C-N 3.29Å; L501-A503 PolarHBondContact O-N 3.25Å; L501-Y504 WeakPolarHBondContact O-CB 3.32Å; L501-Y504 PolarHBondContact O-N 3.5Å; L501-Y504 VanDerWaalsContact O-N 3.14Å; L501-E505 WeakPolarHBondContact O-CG 3.07Å; L501-E505 PolarHBondContact O-N 3.3Å; L501-V522 HydrophobicContact CD2-CG1 4.2Å; L501-V522 VanDerWaalsContact CD2-O 3.28Å; L501-V522 WeakPolarHBondContact CD2-O 3.19Å; L501-A524 HydrophobicContact CD1-CB 3.47Å; L501-A524 VanDerWaalsContact CD1-CB 3.47Å; L501-A524 HydrophobicContact CD2-CB 4.33Å; L501-A524 HydrophobicContact CG-CB 4.47Å
502L85Confident85.5Confident97 Ų9783.6 Ų83.651%0.50842%0.416SS..Hα-helixtrans-62.2-40.1178.2-70.4170.7000111.2R498 E499 A506R498-L502 HydrophobicContact CG-CD1 4.37Å; R498-L502 WeakPolarHBondContact O-CG 3.34Å; R498-L502 PolarHBondContact O-N 3.4Å; R498-L502 VanDerWaalsContact O-N 3.07Å; E499-L502 PolarHBondContact O-N 3.47Å; L502-A506 WeakPolarHBondContact O-CB 3.38Å; L502-A506 PolarHBondContact O-N 3.06Å
503A87.2Confident85.4Confident48 Ų4886.2 Ų86.240%0.39743%0.427SS..Hα-helixtrans-65.4-38.6174.700000112.2E499 E500 L501 K507E499-A503 WeakPolarHBondContact O-CB 3.46Å; E499-A503 PolarHBondContact O-N 3.29Å; E500-A503 PolarHBondContact O-N 2.74Å; L501-A503 VanDerWaalsContact C-N 3.29Å; L501-A503 PolarHBondContact O-N 3.25Å; A503-K507 WeakPolarHBondContact O-CB 3.48Å; A503-K507 VanDerWaalsContact O-CG 3.3Å; A503-K507 WeakPolarHBondContact O-CG 3.43Å; A503-K507 PolarHBondContact O-N 3.1Å; A503-K507 VanDerWaalsContact O-N 3.09Å
504Y85.1Confident85.1Confident34 Ų3482.5 Ų82.513%0.13341%0.413CS..Hα-helixtrans-65.5-48174.9167.2-102.9000111.8E500 L501 A506 K507 R508 P519 E520 V522E500-Y504 WeakPolarHBondContact O-CB 3.39Å; E500-Y504 PolarHBondContact O-N 2.9Å; L501-Y504 WeakPolarHBondContact O-CB 3.32Å; L501-Y504 PolarHBondContact O-N 3.5Å; L501-Y504 VanDerWaalsContact O-N 3.14Å; Y504-A506 VanDerWaalsContact C-N 3.34Å; Y504-A506 PolarHBondContact O-N 3.03Å; Y504-K507 CarbonylContact O-C 3.55Å; Y504-K507 PolarHBondContact O-N 2.89Å; Y504-R508 WeakPolarHBondContact O-CB 3.48Å; Y504-R508 PolarHBondContact O-N 3.37Å; Y504-P519 HydrophobicContact CD2-CB 4.26Å; Y504-P519 HydrophobicContact CD2-CG 3.9Å; Y504-P519 HydrophobicContact CE2-CB 4.22Å; Y504-P519 HydrophobicContact CE2-CG 3.72Å; Y504-E520 WeakPolarHBondContact CD2-O 3.42Å; Y504-E520 WeakPolarHBondContact CE2-O 2.84Å; Y504-V522 HydrophobicContact CD1-CB 4.32Å; Y504-V522 HydrophobicContact CD2-CB 4.28Å; Y504-V522 HydrophobicContact CD2-CG2 4Å; Y504-V522 HydrophobicContact CG-CB 3.88Å; Y504-V522 HydrophobicContact CG-CG2 3.99Å
505E82.8Confident84.4Confident101 Ų10186.2 Ų86.247%0.47243%0.431SS..Hα-helixtrans-62.1-41.3178.8-73.617916800111.8L501 R508 K509L501-E505 WeakPolarHBondContact O-CG 3.07Å; L501-E505 PolarHBondContact O-N 3.3Å; E505-R508 PolarHBondContact O-N 2.7Å; E505-K509 WeakPolarHBondContact O-CB 3.37Å; E505-K509 PolarHBondContact O-N 3.31Å
506A85.4Confident83.8Confident62 Ų6293.4 Ų93.451%0.51246%0.456SS..Hα-helixtrans-61.3-46.6174.400000111.6L502 Y504 R508 K509 E510L502-A506 WeakPolarHBondContact O-CB 3.38Å; L502-A506 PolarHBondContact O-N 3.06Å; Y504-A506 VanDerWaalsContact C-N 3.34Å; Y504-A506 PolarHBondContact O-N 3.03Å; A506-R508 VanDerWaalsContact C-N 3.34Å; A506-R508 PolarHBondContact O-N 3.03Å; A506-K509 PolarHBondContact O-N 2.97Å; A506-E510 WeakPolarHBondContact O-CB 3.26Å; A506-E510 PolarHBondContact O-N 3.36Å
507K85.8Confident82.7Confident126 Ų12690.7 Ų90.755%0.54844%0.443SS..Hα-helixtrans-65.3-36.2175.7-74.8177.1-177.7177.90112.5A503 Y504 A511 P519A503-K507 WeakPolarHBondContact O-CB 3.48Å; A503-K507 VanDerWaalsContact O-CG 3.3Å; A503-K507 WeakPolarHBondContact O-CG 3.43Å; A503-K507 PolarHBondContact O-N 3.1Å; A503-K507 VanDerWaalsContact O-N 3.09Å; Y504-K507 CarbonylContact O-C 3.55Å; Y504-K507 PolarHBondContact O-N 2.89Å; K507-A511 VanDerWaalsContact O-CB 3.29Å; K507-A511 WeakPolarHBondContact O-CB 3.29Å; K507-A511 PolarHBondContact O-N 3.49Å; K507-P519 HydrophobicContact CB-CB 4.38Å; K507-P519 HydrophobicContact CB-CG 3.95Å
508R79.8Confident81.7Confident102 Ų10293.3 Ų93.339%0.38546%0.46SS..Hα-helixtrans-66.6-45.5177.9-162.7-172.684.5-158.7-5.3110Y504 E505 A506 A511 E512 P519Y504-R508 WeakPolarHBondContact O-CB 3.48Å; Y504-R508 PolarHBondContact O-N 3.37Å; E505-R508 PolarHBondContact O-N 2.7Å; A506-R508 VanDerWaalsContact C-N 3.34Å; A506-R508 PolarHBondContact O-N 3.03Å; R508-A511 PolarHBondContact O-N 2.9Å; R508-E512 WeakPolarHBondContact CG-OE1 3.11Å; R508-E512 IonicContact CZ-OE1 2.7Å; R508-E512 IonicContact NE-OE1 3.5Å; R508-E512 PolarHBondContact NE-OE1 3.07Å; R508-E512 IonicContact NH2-OE1 3.43Å; R508-E512 WeakPolarHBondContact O-CB 3.49Å; R508-E512 WeakPolarHBondContact O-CG 3.4Å; R508-E512 PolarHBondContact O-N 3.16Å; R508-P519 HydrophobicContact CB-CG 4.09Å
509K81.8Confident81.3Confident126 Ų12688.8 Ų88.855%0.54845%0.448SS..Hα-helixtrans-63.3-43.1176-165.4179.2-179-175.30111.9E505 A506 A511 E512 E513E505-K509 WeakPolarHBondContact O-CB 3.37Å; E505-K509 PolarHBondContact O-N 3.31Å; A506-K509 PolarHBondContact O-N 2.97Å; K509-A511 VanDerWaalsContact C-N 3.31Å; K509-A511 PolarHBondContact O-N 3.34Å; K509-E512 PolarHBondContact O-N 3.13Å; K509-E513 VanDerWaalsContact CE-OE1 3.29Å; K509-E513 WeakPolarHBondContact CE-OE1 3.41Å; K509-E513 WeakPolarHBondContact O-CB 3.08Å; K509-E513 WeakPolarHBondContact O-CG 3.29Å; K509-E513 PolarHBondContact O-N 3.36Å
510E85.2Confident80.6Confident101 Ų10187.7 Ų87.747%0.47244%0.443SS..Hα-helixtrans-61.4-39.5173.3-175.5-171.6167.500111.7A506 N514A506-E510 WeakPolarHBondContact O-CB 3.26Å; A506-E510 PolarHBondContact O-N 3.36Å; E510-N514 WeakPolarHBondContact CG-ND2 3.25Å; E510-N514 VanDerWaalsContact O-CB 3.24Å; E510-N514 WeakPolarHBondContact O-CB 3.46Å; E510-N514 PolarHBondContact O-N 3.45Å; E510-N514 PolarHBondContact O-ND2 3.22Å
511A82.3Confident79.8Confident9 Ų985.3 Ų85.37%0.07444%0.437CS..Hα-helixtrans-68.4-40.7176.400000112K507 R508 K509 N514 T515 R516K507-A511 VanDerWaalsContact O-CB 3.29Å; K507-A511 WeakPolarHBondContact O-CB 3.29Å; K507-A511 PolarHBondContact O-N 3.49Å; R508-A511 PolarHBondContact O-N 2.9Å; K509-A511 VanDerWaalsContact C-N 3.31Å; K509-A511 PolarHBondContact O-N 3.34Å; A511-N514 CarbonylContact O-C 3.59Å; A511-N514 PolarHBondContact O-N 2.66Å; A511-T515 CarbonylContact O-C 3.55Å; A511-T515 WeakPolarHBondContact O-CA 3.09Å; A511-T515 PolarHBondContact O-N 3.22Å; A511-R516 HydrophobicContact CB-CB 4.21Å; A511-R516 PolarHBondContact O-N 3.18Å
512E78.3Confident79.7Confident117 Ų11786.5 Ų86.555%0.54745%0.445SS..Hα-helixtrans-63.3-46.8175.1-74.5168.7-159.200111.4R508 K509 N514 T515R508-E512 WeakPolarHBondContact CG-OE1 3.11Å; R508-E512 IonicContact CZ-OE1 2.7Å; R508-E512 IonicContact NE-OE1 3.5Å; R508-E512 PolarHBondContact NE-OE1 3.07Å; R508-E512 IonicContact NH2-OE1 3.43Å; R508-E512 WeakPolarHBondContact O-CB 3.49Å; R508-E512 WeakPolarHBondContact O-CG 3.4Å; R508-E512 PolarHBondContact O-N 3.16Å; K509-E512 PolarHBondContact O-N 3.13Å; E512-N514 VanDerWaalsContact C-N 3.32Å; E512-N514 PolarHBondContact O-N 3.13Å; E512-T515 PolarHBondContact O-N 3.37Å
513E82.3Confident79.7Confident136 Ų13684.2 Ų84.264%0.63643%0.43SS*.Hα-helixtrans-64.9-34.8178.1-74.5175-173.300112.5K509K509-E513 VanDerWaalsContact CE-OE1 3.29Å; K509-E513 WeakPolarHBondContact CE-OE1 3.41Å; K509-E513 WeakPolarHBondContact O-CB 3.08Å; K509-E513 WeakPolarHBondContact O-CG 3.29Å; K509-E513 PolarHBondContact O-N 3.36Å
514N80.7Confident79.7Confident84 Ų8482.1 Ų82.145%0.44941%0.412SS..THydrogen-bonded Turntrans-95.28.2178.9-66.7-54.7000113.9E510 A511 E512 R516E510-N514 WeakPolarHBondContact CG-ND2 3.25Å; E510-N514 VanDerWaalsContact O-CB 3.24Å; E510-N514 WeakPolarHBondContact O-CB 3.46Å; E510-N514 PolarHBondContact O-N 3.45Å; E510-N514 PolarHBondContact O-ND2 3.22Å; A511-N514 CarbonylContact O-C 3.59Å; A511-N514 PolarHBondContact O-N 2.66Å; E512-N514 VanDerWaalsContact C-N 3.32Å; E512-N514 PolarHBondContact O-N 3.13Å; N514-R516 HydrophobicContact CB-CG 4.13Å; N514-R516 PolarHBondContact O-N 2.85Å; N514-R516 VanDerWaalsContact O-N 3.14Å
515T75.3Confident80Confident118 Ų11887 Ų8772%0.72443%0.431SS*.THydrogen-bonded Turntrans50.138.2-177.9-35.30000113.1A511 E512A511-T515 CarbonylContact O-C 3.55Å; A511-T515 WeakPolarHBondContact O-CA 3.09Å; A511-T515 PolarHBondContact O-N 3.22Å; E512-T515 PolarHBondContact O-N 3.37Å
516R76.3Confident80.5Confident162 Ų16282.2 Ų82.261%0.61141%0.408SS*.PPolyproline II helixtrans-94.2161.4174.8-66.1-178.2-179.3165.42.2110.4A511 N514A511-R516 HydrophobicContact CB-CB 4.21Å; A511-R516 PolarHBondContact O-N 3.18Å; N514-R516 HydrophobicContact CB-CG 4.13Å; N514-R516 PolarHBondContact O-N 2.85Å; N514-R516 VanDerWaalsContact O-N 3.14Å
517A68.9Low80.9Confident37 Ų3780.8 Ų80.831%0.30639%0.394SS..PPolyproline II helixtrans-60.4138.3174.600000110.2
518P69.8Low81.2Confident66 Ų6675.1 Ų75.143%0.42937%0.369SS..PPolyproline II helixtrans-64.3146.2-177.624.9-32.8000111.1R296R296-P518 PolarHBondContact NH2-O 2.85Å
519P76.6Confident81.8Confident35 Ų3574.5 Ų74.523%0.22738%0.377CS..PPolyproline II helixtrans-64.5163.417426.8-32.7000111.7Y504 K507 R508Y504-P519 HydrophobicContact CD2-CB 4.26Å; Y504-P519 HydrophobicContact CD2-CG 3.9Å; Y504-P519 HydrophobicContact CE2-CB 4.22Å; Y504-P519 HydrophobicContact CE2-CG 3.72Å; K507-P519 HydrophobicContact CB-CB 4.38Å; K507-P519 HydrophobicContact CB-CG 3.95Å; R508-P519 HydrophobicContact CB-CG 4.09Å
520E72Confident82.3Confident148 Ų14869.1 Ų69.169%0.69236%0.356SS*.PPolyproline II helixtrans-56.4128.6177.3-170.7176.8-177.800110.7Y504 V522Y504-E520 WeakPolarHBondContact CD2-O 3.42Å; Y504-E520 WeakPolarHBondContact CE2-O 2.84Å; E520-V522 PolarHBondContact O-N 3.31Å
521P71.6Confident82.7Confident61 Ų6164.3 Ų64.340%0.39633%0.334SS..PPolyproline II helixtrans-64.8122.4-17425.5-33.3000111.3
522V81.6Confident83.1Confident47 Ų4764.8 Ų64.829%0.28534%0.335SS..PPolyproline II helixtrans-100120.7172.1-178.90000108.3E500 L501 Y504 E520E500-V522 HydrophobicContact CB-CG1 4.21Å; L501-V522 HydrophobicContact CD2-CG1 4.2Å; L501-V522 VanDerWaalsContact CD2-O 3.28Å; L501-V522 WeakPolarHBondContact CD2-O 3.19Å; Y504-V522 HydrophobicContact CD1-CB 4.32Å; Y504-V522 HydrophobicContact CD2-CB 4.28Å; Y504-V522 HydrophobicContact CD2-CG2 4Å; Y504-V522 HydrophobicContact CG-CB 3.88Å; Y504-V522 HydrophobicContact CG-CG2 3.99Å; E520-V522 PolarHBondContact O-N 3.31Å
523R84.3Confident83.7Confident48 Ų4865.4 Ų65.418%0.18134%0.337CS..PPolyproline II helixtrans-87.6147.8177.6-62.8-171.1-179.991.58111.3N497 R525 D587 A589N497-R523 PolarHBondContact ND2-O 2.82Å; R523-R525 PolarHBondContact O-N 3.09Å; R523-D587 VanDerWaalsContact CD-OD1 3.27Å; R523-D587 WeakPolarHBondContact CD-OD1 3.44Å; R523-D587 IonicContact CZ-OD1 3.35Å; R523-D587 IonicContact NE-OD1 3.1Å; R523-D587 PolarHBondContact NE-OD1 3.47Å; R523-D587 IonicContact NE-OD2 2.95Å; R523-A589 HydrophobicContact CB-CB 4.25Å
524A87.6Confident84.1Confident4 Ų460.3 Ų60.33%0.03332%0.319CS..EExtended strand (participates in β ladder)trans-71.8121.517200000109.4A495 L501 L588 A589A495-A524 HydrophobicContact CB-CB 4.17Å; L501-A524 HydrophobicContact CD1-CB 3.47Å; L501-A524 VanDerWaalsContact CD1-CB 3.47Å; L501-A524 HydrophobicContact CD2-CB 4.33Å; L501-A524 HydrophobicContact CG-CB 4.47Å; A524-L588 HydrophobicContact CB-CD2 3.58Å; A524-A589 PolarHBondContact O-N 3.01Å; A524-A589 VanDerWaalsContact O-O 3.08Å
525R91.2Very high84.6Confident137 Ų13758 Ų5852%0.51731%0.305SS..EExtended strand (participates in β ladder)trans-95.3103.9178.8-67.7-175.5-176.81713.9110.6A495 T496 N497 R523 A589A495-R525 WeakPolarHBondContact CA-O 3.08Å; T496-R525 PolarHBondContact N-O 3.06Å; T496-R525 PolarHBondContact OG1-O 3.05Å; T496-R525 VanDerWaalsContact OG1-O 3.04Å; N497-R525 PolarHBondContact OD1-N 2.7Å; R523-R525 PolarHBondContact O-N 3.09Å; R525-A589 CarbonylContact C-O 3.56Å; R525-A589 WeakPolarHBondContact CA-O 3.33Å; R525-A589 HydrophobicContact CG-CB 4.31Å
526I92.9Very high85.2Confident0 Ų053.2 Ų53.20%028%0.275CS..EExtended strand (participates in β ladder)trans-104.4125.2-176.3-56.5174.8000109.3A490 A495 F528 A530 L588 A589 I590 D591A490-I526 HydrophobicContact CB-CD1 4.23Å; A495-I526 HydrophobicContact CB-CG1 4.47Å; I526-F528 PolarHBondContact O-N 3.37Å; I526-A530 HydrophobicContact CG2-CB 4.44Å; I526-L588 HydrophobicContact CD1-CD1 3.94Å; I526-L588 HydrophobicContact CD1-CD2 4.1Å; I526-L588 HydrophobicContact CD1-CG 4.41Å; I526-A589 PolarHBondContact N-O 3.34Å; I526-I590 HydrophobicContact CB-CG1 4.45Å; I526-I590 WeakPolarHBondContact O-CA 3.27Å; I526-D591 PolarHBondContact O-N 3.12Å; I526-D591 VanDerWaalsContact O-N 3.08Å
527P93.9Very high85.9Confident32 Ų3251.8 Ų51.821%0.20828%0.276CS..EExtended strand (participates in β ladder)trans-64.5133.5173.1-21.333.7000111.1A494 T496 T529 A530A494-P527 WeakPolarHBondContact O-CD 3.42Å; T496-P527 HydrophobicContact CG2-CG 3.62Å; P527-T529 PolarHBondContact O-N 3.36Å; P527-T529 VanDerWaalsContact O-N 3.14Å; P527-A530 WeakPolarHBondContact O-CB 3.45Å; P527-A530 PolarHBondContact O-N 3.48Å
528F92.6Very high87Confident7 Ų753.6 Ų53.63%0.03128%0.284CS..Hα-helixtrans-58.4-30.4178.1-175.1-101.7000113.2L488 I526 A530 C531 L532 V570 I590 D591 V592 P593 L596L488-F528 HydrophobicContact CD1-CD2 4.41Å; L488-F528 HydrophobicContact CD1-CE2 3.51Å; L488-F528 HydrophobicContact CD1-CZ 3.64Å; I526-F528 PolarHBondContact O-N 3.37Å; F528-A530 VanDerWaalsContact C-N 3.27Å; F528-A530 PolarHBondContact O-N 3.31Å; F528-C531 WeakPolarHBondContact O-CB 3.37Å; F528-C531 PolarHBondContact O-N 3.49Å; F528-L532 HydrophobicContact CD1-CD1 3.84Å; F528-L532 HydrophobicContact CD1-CG 4.16Å; F528-L532 HydrophobicContact CE1-CD1 3.56Å; F528-L532 HydrophobicContact CE1-CD2 4.23Å; F528-L532 HydrophobicContact CE1-CG 3.81Å; F528-L532 HydrophobicContact CZ-CD1 4.5Å; F528-L532 HydrophobicContact CZ-CD2 4.42Å; F528-L532 HydrophobicContact CZ-CG 4.33Å; F528-L532 PolarHBondContact O-N 3.22Å; F528-L532 VanDerWaalsContact O-N 3.09Å; F528-V570 HydrophobicContact CE2-CG1 4.42Å; F528-I590 HydrophobicContact CB-CG2 4.14Å; F528-I590 HydrophobicContact CD2-CG2 3.97Å; F528-D591 WeakPolarHBondContact CB-O 3.43Å; F528-V592 HydrophobicContact CD2-CG2 4.08Å; F528-P593 HydrophobicContact CD1-CG 3.89Å; F528-P593 HydrophobicContact CE1-CG 4.32Å; F528-P593 HydrophobicContact CG-CG 4.47Å; F528-L596 HydrophobicContact CD1-CD1 4.26Å; F528-L596 HydrophobicContact CE1-CD1 3.63Å; F528-L596 HydrophobicContact CE1-CD2 3.95Å; F528-L596 HydrophobicContact CE1-CG 4.42Å; F528-L596 HydrophobicContact CZ-CD2 4.21Å
529T92.1Very high88Confident90 Ų9056.4 Ų56.455%0.55229%0.292SS*.Hα-helixtrans-62.3-32.8174.652.40000112.9P527 L532 Q533P527-T529 PolarHBondContact O-N 3.36Å; P527-T529 VanDerWaalsContact O-N 3.14Å; T529-L532 PolarHBondContact O-N 3.18Å; T529-Q533 WeakPolarHBondContact O-CB 3.29Å; T529-Q533 VanDerWaalsContact O-CG 3.25Å; T529-Q533 WeakPolarHBondContact O-CG 3.33Å; T529-Q533 PolarHBondContact O-N 3.01Å
530A92.9Very high88.8Confident13 Ų1360.5 Ų60.511%0.10731%0.312CS..Hα-helixtrans-69.7-39.4176.400000111.1P491 A494 I526 P527 F528 L532 Q533 A534P491-A530 HydrophobicContact CG-CB 4.48Å; A494-A530 HydrophobicContact CB-CB 3.79Å; I526-A530 HydrophobicContact CG2-CB 4.44Å; P527-A530 WeakPolarHBondContact O-CB 3.45Å; P527-A530 PolarHBondContact O-N 3.48Å; F528-A530 VanDerWaalsContact C-N 3.27Å; F528-A530 PolarHBondContact O-N 3.31Å; A530-L532 PolarHBondContact O-N 2.95Å; A530-Q533 PolarHBondContact O-N 3.12Å; A530-A534 WeakPolarHBondContact O-CB 3.48Å; A530-A534 PolarHBondContact O-N 3.28Å
531C93.3Very high89.7Confident0 Ų055.8 Ų55.80%029%0.293CS..Hα-helixtrans-60.6-43.2173.2-64.80000112.2L488 P489 F528 F535L488-C531 HydrophobicContact CB-CB 4.28Å; L488-C531 HydrophobicContact CD1-CB 4.39Å; P489-C531 WeakPolarHBondContact O-CB 3.24Å; P489-C531 PolarHBondContact O-SG 2.9Å; F528-C531 WeakPolarHBondContact O-CB 3.37Å; F528-C531 PolarHBondContact O-N 3.49Å; C531-F535 PolarHBondContact O-N 2.86Å; C531-F535 VanDerWaalsContact O-N 3.12Å
532L91.5Very high90.1Very high19 Ų1957.9 Ų57.910%0.09931%0.306CS..Hα-helixtrans-66.3-41.2175.6-75175000112.7L488 F528 T529 A530 F535 T536 L596 L598 L601L488-L532 HydrophobicContact CD1-CD2 4.12Å; L488-L532 HydrophobicContact CD2-CD2 4.01Å; F528-L532 HydrophobicContact CD1-CD1 3.84Å; F528-L532 HydrophobicContact CD1-CG 4.16Å; F528-L532 HydrophobicContact CE1-CD1 3.56Å; F528-L532 HydrophobicContact CE1-CD2 4.23Å; F528-L532 HydrophobicContact CE1-CG 3.81Å; F528-L532 HydrophobicContact CZ-CD1 4.5Å; F528-L532 HydrophobicContact CZ-CD2 4.42Å; F528-L532 HydrophobicContact CZ-CG 4.33Å; F528-L532 PolarHBondContact O-N 3.22Å; F528-L532 VanDerWaalsContact O-N 3.09Å; T529-L532 PolarHBondContact O-N 3.18Å; A530-L532 PolarHBondContact O-N 2.95Å; L532-F535 WeakPolarHBondContact O-CB 3.15Å; L532-F535 PolarHBondContact O-N 2.78Å; L532-T536 PolarHBondContact O-N 2.81Å; L532-T536 PolarHBondContact O-OG1 3.19Å; L532-L596 HydrophobicContact CD1-CD1 4.03Å; L532-L598 HydrophobicContact CD1-CD2 3.9Å; L532-L598 HydrophobicContact CD2-CD2 3.98Å; L532-L601 HydrophobicContact CD2-CD1 4.46Å
533Q90.7Very high90.3Very high129 Ų12961.5 Ų61.560%0.60332%0.324SS*.Hα-helixtrans-61.3-48.5177.1-78.2171.3-10.900110.8T529 A530 F535 T536 E537T529-Q533 WeakPolarHBondContact O-CB 3.29Å; T529-Q533 VanDerWaalsContact O-CG 3.25Å; T529-Q533 WeakPolarHBondContact O-CG 3.33Å; T529-Q533 PolarHBondContact O-N 3.01Å; A530-Q533 PolarHBondContact O-N 3.12Å; Q533-F535 PolarHBondContact O-N 3.34Å; Q533-T536 CarbonylContact O-C 2.82Å; Q533-T536 PolarHBondContact O-N 2.82Å; Q533-T536 PolarHBondContact O-OG1 2.89Å; Q533-T536 VanDerWaalsContact O-OG1 3.09Å; Q533-E537 PolarHBondContact O-N 3.44Å
534A91.2Very high90.3Very high29 Ų2961 Ų6124%0.2432%0.323CS..Hα-helixtrans-60.7-31.1177.100000113P489 P491 A530 T536P489-A534 HydrophobicContact CG-CB 3.65Å; P491-A534 HydrophobicContact CG-CB 4.19Å; A530-A534 WeakPolarHBondContact O-CB 3.48Å; A530-A534 PolarHBondContact O-N 3.28Å; A534-T536 VanDerWaalsContact C-N 3.35Å
535F89.4Confident90.2Very high36 Ų3662.7 Ų62.716%0.15833%0.329CS..Hα-helixtrans-67.9-33.3172.8175.4-98000113.1L488 C531 L532 Q533 F561L488-F535 HydrophobicContact CD2-CB 3.77Å; L488-F535 HydrophobicContact CD2-CD2 4.26Å; L488-F535 HydrophobicContact CD2-CG 3.97Å; C531-F535 PolarHBondContact O-N 2.86Å; C531-F535 VanDerWaalsContact O-N 3.12Å; L532-F535 WeakPolarHBondContact O-CB 3.15Å; L532-F535 PolarHBondContact O-N 2.78Å; Q533-F535 PolarHBondContact O-N 3.34Å; F535-F561 HydrophobicContact CE1-CE2 4.12Å; F535-F561 HydrophobicContact CE1-CZ 4.37Å
536T89Confident89.8Confident18 Ų1856.2 Ų56.211%0.1130%0.304CS..Hα-helixtrans-99.50.1-177.761.30000114.2L532 Q533 A534 L601L532-T536 PolarHBondContact O-N 2.81Å; L532-T536 PolarHBondContact O-OG1 3.19Å; Q533-T536 CarbonylContact O-C 2.82Å; Q533-T536 PolarHBondContact O-N 2.82Å; Q533-T536 PolarHBondContact O-OG1 2.89Å; Q533-T536 VanDerWaalsContact O-OG1 3.09Å; A534-T536 VanDerWaalsContact C-N 3.35Å; T536-L601 HydrophobicContact CG2-CD1 4.01Å; T536-L601 HydrophobicContact CG2-CD2 3.95Å; T536-L601 HydrophobicContact CG2-CG 4.48Å
537E91Very high89.4Confident132 Ų13257 Ų5762%0.61731%0.31SS*.SBendtrans-66.1137.1-178.7-170.6168-166.800109.7Q533 E539Q533-E537 PolarHBondContact O-N 3.44Å; E537-E539 PolarHBondContact O-N 3.01Å
538P91.8Very high88.9Confident75 Ų7556.9 Ų56.949%0.48731%0.312SS..PPolyproline II helixtrans-63.1118.4176.4-17.830000111.2V556 K557 T558P538-V556 HydrophobicContact CB-CG1 3.41Å; P538-V556 VanDerWaalsContact CB-CG1 3.41Å; P538-K557 WeakPolarHBondContact CA-O 3.4Å; P538-T558 HydrophobicContact CB-CG2 3.73Å; P538-T558 HydrophobicContact CG-CG2 3.91Å
539E91.6Very high88.4Confident124 Ų12459.6 Ų59.658%0.57933%0.326SS*.EExtended strand (participates in β ladder)trans-90.1127.4178.9-174.5-178176.800110E537 V556 K557E537-E539 PolarHBondContact O-N 3.01Å; E539-V556 CarbonylContact O-C 3.52Å; E539-V556 WeakPolarHBondContact O-CA 3.29Å; E539-K557 PolarHBondContact N-O 3.25Å; E539-K557 PolarHBondContact O-N 3.02Å
540N92.4Very high87.9Confident121 Ų12160 Ų6065%0.64732%0.322SS*.EExtended strand (participates in β ladder)trans-81.5128.2176-67.2-44.7000110.4P542N540-P542 WeakPolarHBondContact O-CD 3.37Å
541V90.6Very high87.3Confident49 Ų4960.9 Ų60.930%0.29733%0.329SS..EExtended strand (participates in β ladder)trans-108.3101.1176.4-175.20000108.1D543 F544 G555 K557V541-D543 VanDerWaalsContact C-N 3.32Å; V541-D543 PolarHBondContact O-N 2.88Å; V541-F544 HydrophobicContact CB-CB 4.43Å; V541-F544 HydrophobicContact CG1-CB 4.17Å; V541-G555 PolarHBondContact N-O 3.15Å; V541-G555 PolarHBondContact O-N 3.45Å; V541-K557 HydrophobicContact CG2-CB 4.23Å
542P80.1Confident86.9Confident105 Ų10567 Ų6768%0.68236%0.356SS*.EExtended strand (participates in β ladder)trans-73.3-12.9-167.125.3-32.5000115.8N540N540-P542 WeakPolarHBondContact O-CD 3.37Å
543D85.6Confident86.7Confident124 Ų12466.6 Ų66.666%0.66335%0.354SS*.EExtended strand (participates in β ladder)trans-130.449.3179.8-74.6-45.9000112V541V541-D543 VanDerWaalsContact C-N 3.32Å; V541-D543 PolarHBondContact O-N 2.88Å
544F85.6Confident86.7Confident37 Ų3762.5 Ų62.516%0.16234%0.342CS..EExtended strand (participates in β ladder)trans-80.9124.2-179.7173.3-108.3000112V468 C470 V541 S546 S553 L613V468-F544 HydrophobicContact CG1-CD2 4.11Å; V468-F544 HydrophobicContact CG1-CE1 4.37Å; V468-F544 HydrophobicContact CG1-CE2 3.6Å; V468-F544 HydrophobicContact CG1-CZ 3.74Å; C470-F544 HydrophobicContact CB-CE1 4.17Å; V541-F544 HydrophobicContact CB-CB 4.43Å; V541-F544 HydrophobicContact CG1-CB 4.17Å; F544-S546 PolarHBondContact O-N 3.41Å; F544-S553 WeakPolarHBondContact CA-O 3.4Å; F544-S553 WeakPolarHBondContact CB-O 3.35Å; F544-S553 PolarHBondContact N-O 2.84Å; F544-S553 PolarHBondContact O-N 2.8Å; F544-L613 HydrophobicContact CE1-CD1 4.19Å; F544-L613 HydrophobicContact CZ-CD1 3.83Å
545W84.1Confident86.7Confident40 Ų4061.1 Ų61.115%0.15233%0.331CS..EExtended strand (participates in β ladder)trans-74.9116.6171.7-177.3-101000111.2Q550 K552 E681 E682W545-Q550 WeakPolarHBondContact CH2-O 3.05Å; W545-Q550 VanDerWaalsContact CZ2-C 3.42Å; W545-Q550 HydrophobicContact CZ2-CB 4.47Å; W545-K552 HydrophobicContact CE3-CG 3.85Å; W545-K552 HydrophobicContact CZ3-CG 4.26Å; W545-E681 WeakPolarHBondContact CZ3-O 3.47Å; W545-E682 HydrophobicContact CH2-CB 4.12Å; W545-E682 HydrophobicContact CH2-CG 3.51Å; W545-E682 HydrophobicContact CZ2-CB 4.17Å; W545-E682 HydrophobicContact CZ2-CG 3.45Å; W545-E682 VanDerWaalsContact CZ2-CG 3.45Å; W545-E682 WeakPolarHBondContact CZ2-OE1 3.49Å; W545-E682 HydrophobicContact CZ3-CG 4.47Å
546S84.6Confident87Confident0 Ų060.7 Ų60.70%033%0.332CS..EExtended strand (participates in β ladder)trans-101.7108.3179.9171.20000111C470 F544 A548 L549 Q550 A551C470-S546 PolarHBondContact SG-OG 3.18Å; C470-S546 VanDerWaalsContact SG-OG 3.42Å; F544-S546 PolarHBondContact O-N 3.41Å; S546-A548 PolarHBondContact O-N 3.01Å; S546-L549 CarbonylContact O-C 3.47Å; S546-L549 PolarHBondContact O-N 3.13Å; S546-Q550 PolarHBondContact O-N 2.93Å; S546-A551 PolarHBondContact N-O 3.13Å
547S83.7Confident87.2Confident16 Ų1662.4 Ų62.411%0.11234%0.338CS..THydrogen-bonded Turntrans-57.9-30.4176.255.90000113.7L549 P614S547-L549 VanDerWaalsContact C-N 3.27Å; S547-L549 PolarHBondContact O-N 3.18Å; S547-P614 WeakPolarHBondContact CB-O 3.49Å; S547-P614 PolarHBondContact OG-O 2.95Å
548A83.6Confident87.3Confident30 Ų3057.2 Ų57.225%0.24832%0.315CS..THydrogen-bonded Turntrans-70.3-22.4175.500000114.1R475 S546 L613 P614R475-A548 HydrophobicContact CG-CB 4.43Å; S546-A548 PolarHBondContact O-N 3.01Å; A548-L613 HydrophobicContact CB-CD2 3.81Å; A548-P614 HydrophobicContact CB-CG 4.46Å
549L82.6Confident87.3Confident64 Ų6454.6 Ų54.634%0.33530%0.298SS..THydrogen-bonded Turntrans-108.1-14.3-179.6-63.5170.7000112.1C470 Q472 S546 S547 A551C470-L549 VanDerWaalsContact SG-CD1 3.56Å; Q472-L549 HydrophobicContact CB-CD1 3.59Å; Q472-L549 HydrophobicContact CG-CD1 4.43Å; S546-L549 CarbonylContact O-C 3.47Å; S546-L549 PolarHBondContact O-N 3.13Å; S547-L549 VanDerWaalsContact C-N 3.27Å; S547-L549 PolarHBondContact O-N 3.18Å; L549-A551 HydrophobicContact CB-CB 4.45Å; L549-A551 PolarHBondContact O-N 3.27Å
550Q81.1Confident87.4Confident99 Ų9952.7 Ų52.746%0.46329%0.286SS..THydrogen-bonded Turntrans48.641.2-170.1-56.7-175.9-71.900111.8W545 S546 H679W545-Q550 WeakPolarHBondContact CH2-O 3.05Å; W545-Q550 VanDerWaalsContact CZ2-C 3.42Å; W545-Q550 HydrophobicContact CZ2-CB 4.47Å; S546-Q550 PolarHBondContact O-N 2.93Å; Q550-H679 PolarHBondContact NE2-NE2 3.45Å
551A80.7Confident87.5Confident31 Ų3147 Ų4726%0.25626%0.255SS..EExtended strand (participates in β ladder)trans-155.4161.3-177.400000111.2S546 L549S546-A551 PolarHBondContact N-O 3.13Å; L549-A551 HydrophobicContact CB-CB 4.45Å; L549-A551 PolarHBondContact O-N 3.27Å
552K84.2Confident87.6Confident130 Ų13045.6 Ų45.657%0.56525%0.249SC*.EExtended strand (participates in β ladder)trans-69.6134.9169.7-67.3-175.3-179.5-1800110.5W545W545-K552 HydrophobicContact CE3-CG 3.85Å; W545-K552 HydrophobicContact CZ3-CG 4.26Å
553S87.3Confident88.4Confident9 Ų940.8 Ų40.86%0.06322%0.218CC..EExtended strand (participates in β ladder)trans-146.9176.2-179.5-161.90000110.6Q472 F544Q472-S553 WeakPolarHBondContact CG-OG 3.4Å; Q472-S553 PolarHBondContact NE2-OG 2.85Å; F544-S553 WeakPolarHBondContact CA-O 3.4Å; F544-S553 WeakPolarHBondContact CB-O 3.35Å; F544-S553 PolarHBondContact N-O 2.84Å; F544-S553 PolarHBondContact O-N 2.8Å
554A90.4Very high88.8Confident43 Ų4334.9 Ų34.936%0.35519%0.186SC..EExtended strand (participates in β ladder)trans-82.4131.1169.200000109.9C471C471-A554 HydrophobicContact CB-CB 4.25Å; C471-A554 VanDerWaalsContact CB-O 3.29Å; C471-A554 WeakPolarHBondContact CB-O 3.43Å; C471-A554 PolarHBondContact N-O 3.48Å; C471-A554 PolarHBondContact SG-O 3.33Å
555G92.1Very high89.3Confident0 Ų033.1 Ų33.10%018%0.179CC..EExtended strand (participates in β ladder)trans-106.8154.5171.700000111.2Q469 V541Q469-G555 CarbonylContact O-C 3.48Å; Q469-G555 WeakPolarHBondContact O-CA 3.35Å; V541-G555 PolarHBondContact N-O 3.15Å; V541-G555 PolarHBondContact O-N 3.45Å
556V94.5Very high89.8Confident28 Ų2833.9 Ų33.917%0.1718%0.184CC..EExtended strand (participates in β ladder)trans-117.6122.9168.6-179.10000108.2V468 Q469 P538 E539V468-V556 CarbonylContact C-O 3.56Å; V468-V556 WeakPolarHBondContact CA-O 3.35Å; Q469-V556 PolarHBondContact N-O 3.33Å; Q469-V556 PolarHBondContact O-N 2.67Å; P538-V556 HydrophobicContact CB-CG1 3.41Å; P538-V556 VanDerWaalsContact CB-CG1 3.41Å; E539-V556 CarbonylContact O-C 3.52Å; E539-V556 WeakPolarHBondContact O-CA 3.29Å
557K93.6Very high90.4Very high54 Ų5434.6 Ų34.624%0.23519%0.186CC..EExtended strand (participates in β ladder)trans-103.8134176.3-174.2177.6-178.7177.80110.1E466 R467 V468 P538 E539 V541E466-K557 IonicContact OE1-NZ 3.31Å; E466-K557 PolarHBondContact OE1-NZ 2.88Å; E466-K557 VanDerWaalsContact OE1-NZ 3.15Å; E466-K557 WeakPolarHBondContact OE2-CE 3.4Å; E466-K557 IonicContact OE2-NZ 3.23Å; E466-K557 PolarHBondContact OE2-NZ 3.31Å; R467-K557 CarbonylContact O-C 3.56Å; R467-K557 WeakPolarHBondContact O-CA 3.31Å; V468-K557 HydrophobicContact CG2-CG 4.23Å; P538-K557 WeakPolarHBondContact CA-O 3.4Å; E539-K557 PolarHBondContact N-O 3.25Å; E539-K557 PolarHBondContact O-N 3.02Å; V541-K557 HydrophobicContact CG2-CB 4.23Å
558T92.8Very high91.1Very high22 Ų2233.8 Ų33.814%0.13518%0.181CC..EExtended strand (participates in β ladder)trans-133.8134.2174.949.10000110.3R467 P538R467-T558 WeakPolarHBondContact CB-OG1 3.48Å; R467-T558 PolarHBondContact N-O 3.36Å; R467-T558 PolarHBondContact O-N 2.95Å; R467-T558 PolarHBondContact O-OG1 2.8Å; P538-T558 HydrophobicContact CB-CG2 3.73Å; P538-T558 HydrophobicContact CG-CG2 3.91Å
559S92.4Very high91.7Very high20 Ų2032.4 Ų32.414%0.1417%0.169CC..EExtended strand (participates in β ladder)trans-109.9135.8-179.5-58.30000111.2E465E465-S559 CarbonylContact O-C 3.53Å; E465-S559 WeakPolarHBondContact O-CA 3.13Å
560R93.3Very high92.4Very high84 Ų8429.3 Ų29.332%0.31715%0.153SC..EExtended strand (participates in β ladder)trans-140.4165.5179.4-67-66.7174.9147.2-7.3111.3V464 E465 R600 A603V464-R560 CarbonylContact C-O 3.44Å; V464-R560 WeakPolarHBondContact CA-O 3.47Å; E465-R560 PolarHBondContact N-O 2.7Å; E465-R560 PolarHBondContact O-N 2.85Å; R560-R600 PolarHBondContact NH1-O 3.19Å; R560-A603 HydrophobicContact CB-CB 3.68Å
561F94Very high93.2Very high1 Ų125.3 Ų25.30%0.00414%0.135CC..EExtended strand (participates in β ladder)trans-88109.9177.6-67.8-94000110.1F462 I486 F535 S563 F564 L568 L598 L601 R602 A603F462-F561 AromaticContact CD2-CD1 3.88Å; F462-F561 HydrophobicContact CD2-CD1 3.88Å; F462-F561 HydrophobicContact CD2-CE1 4.15Å; F462-F561 AromaticContact CE2-CD1 3.9Å; F462-F561 HydrophobicContact CE2-CD1 3.9Å; F462-F561 AromaticContact CE2-CE1 3.77Å; F462-F561 HydrophobicContact CE2-CE1 3.77Å; F462-F561 HydrophobicContact CZ-CE1 4.46Å; I486-F561 HydrophobicContact CD1-CZ 4.09Å; I486-F561 HydrophobicContact CG2-CE1 3.56Å; I486-F561 HydrophobicContact CG2-CZ 3.69Å; F535-F561 HydrophobicContact CE1-CE2 4.12Å; F535-F561 HydrophobicContact CE1-CZ 4.37Å; F561-S563 VanDerWaalsContact C-N 3.31Å; F561-F564 HydrophobicContact CB-CD1 4.05Å; F561-F564 HydrophobicContact CB-CE1 3.44Å; F561-F564 VanDerWaalsContact CB-CE1 3.44Å; F561-F564 HydrophobicContact CB-CZ 3.78Å; F561-F564 HydrophobicContact CD1-CD1 4.04Å; F561-F564 AromaticContact CD1-CE1 3.83Å; F561-F564 HydrophobicContact CD1-CE1 3.83Å; F561-F564 AromaticContact CD2-CE1 3.86Å; F561-F564 HydrophobicContact CD2-CE1 3.86Å; F561-F564 HydrophobicContact CD2-CZ 4.44Å; F561-F564 HydrophobicContact CG-CD1 4.09Å; F561-F564 AromaticContact CG-CE1 3.44Å; F561-F564 HydrophobicContact CG-CE1 3.44Å; F561-F564 VanDerWaalsContact CG-CE1 3.44Å; F561-F564 HydrophobicContact CG-CZ 4.18Å; F561-L568 HydrophobicContact CE1-CD1 4.23Å; F561-L598 HydrophobicContact CE2-CD1 4.42Å; F561-L598 HydrophobicContact CZ-CD1 4.22Å; F561-L601 HydrophobicContact CD2-CB 3.88Å; F561-L601 HydrophobicContact CE2-CB 4.28Å; F561-L601 HydrophobicContact CE2-CD1 4.2Å; F561-L601 PolarHBondContact N-O 2.66Å; F561-L601 VanDerWaalsContact N-O 3.09Å; F561-R602 CarbonylContact O-C 3.57Å; F561-R602 WeakPolarHBondContact O-CA 3.41Å; F561-A603 WeakPolarHBondContact O-CB 3.32Å; F561-A603 PolarHBondContact O-N 2.89Å
562A94.5Very high93.8Very high20 Ų2024 Ų2417%0.16512%0.123CC..SBendtrans-69.8-34.3169.800000111.1L463 E465 R602L463-A562 HydrophobicContact CB-CB 3.68Å; L463-A562 PolarHBondContact O-N 2.94Å; E465-A562 HydrophobicContact CB-CB 4.15Å; A562-R602 PolarHBondContact O-NH1 3.01Å
563S94.9Very high94.2Very high5 Ų522.2 Ų22.24%0.03512%0.115CC..SBendtrans-141.3162174.462.30000112.2L463 F561 V798 D800L463-S563 WeakPolarHBondContact CB-OG 3.3Å; L463-S563 PolarHBondContact N-OG 3.12Å; L463-S563 PolarHBondContact O-N 3.26Å; F561-S563 VanDerWaalsContact C-N 3.31Å; S563-V798 VanDerWaalsContact OG-CG1 3.25Å; S563-V798 WeakPolarHBondContact OG-CG1 3.3Å; S563-D800 WeakPolarHBondContact CA-OD1 3.21Å; S563-D800 WeakPolarHBondContact CB-OD1 3.34Å
564F95.9Very high94.2Very high0 Ų022.2 Ų22.20%011%0.114CC..  trans-116.8124.3-178.8-76.7-52.5000110.3F561 L598 R602 D800 Y805 R859F561-F564 HydrophobicContact CB-CD1 4.05Å; F561-F564 HydrophobicContact CB-CE1 3.44Å; F561-F564 VanDerWaalsContact CB-CE1 3.44Å; F561-F564 HydrophobicContact CB-CZ 3.78Å; F561-F564 HydrophobicContact CD1-CD1 4.04Å; F561-F564 AromaticContact CD1-CE1 3.83Å; F561-F564 HydrophobicContact CD1-CE1 3.83Å; F561-F564 AromaticContact CD2-CE1 3.86Å; F561-F564 HydrophobicContact CD2-CE1 3.86Å; F561-F564 HydrophobicContact CD2-CZ 4.44Å; F561-F564 HydrophobicContact CG-CD1 4.09Å; F561-F564 AromaticContact CG-CE1 3.44Å; F561-F564 HydrophobicContact CG-CE1 3.44Å; F561-F564 VanDerWaalsContact CG-CE1 3.44Å; F561-F564 HydrophobicContact CG-CZ 4.18Å; F564-L598 HydrophobicContact CE1-CB 3.73Å; F564-L598 HydrophobicContact CE1-CD1 4.37Å; F564-L598 HydrophobicContact CZ-CB 3.98Å; F564-L598 VanDerWaalsContact CZ-O 3.23Å; F564-L598 WeakPolarHBondContact CZ-O 3.48Å; F564-R602 HydrophobicContact CE2-CB 3.91Å; F564-R602 HydrophobicContact CE2-CG 4.36Å; F564-R602 HydrophobicContact CZ-CB 4.23Å; F564-D800 PolarHBondContact N-OD1 3.46Å; F564-Y805 VanDerWaalsContact CB-OH 3.29Å; F564-Y805 WeakPolarHBondContact CB-OH 3.5Å; F564-Y805 HydrophobicContact CD1-CE2 4.36Å; F564-R859 PolarHBondContact O-NH1 3.04Å
565P95.6Very high94.1Very high0 Ų023.4 Ų23.40%011%0.112CC..  trans-75.4167.2-177.431-34000112.4F460 F462 L568 Y805 R859F460-P565 WeakPolarHBondContact O-CB 3.16Å; F462-P565 HydrophobicContact CB-CB 4.11Å; F462-P565 HydrophobicContact CB-CG 4.01Å; F462-P565 HydrophobicContact CD1-CB 4.43Å; F462-P565 HydrophobicContact CD1-CG 3.9Å; F462-P565 HydrophobicContact CG-CG 4.16Å; P565-L568 HydrophobicContact CG-CB 4.11Å; P565-L568 HydrophobicContact CG-CD1 4.02Å; P565-Y805 VanDerWaalsContact CD-OH 3.25Å; P565-Y805 WeakPolarHBondContact CD-OH 3.41Å; P565-Y805 VanDerWaalsContact O-CE1 3.31Å; P565-Y805 WeakPolarHBondContact O-CE1 3.45Å; P565-Y805 PolarHBondContact O-OH 3.37Å; P565-R859 PolarHBondContact O-NH1 3.3Å
566E95.1Very high93.8Very high55 Ų5526.8 Ų26.826%0.25713%0.132SC..SBendtrans-67.5-40.4171.9-76.9-176.2141.500111.7S459 K799 R859S459-E566 PolarHBondContact O-N 3.06Å; S459-E566 PolarHBondContact OG-OE2 3.15Å; E566-K799 HydrophobicContact CG-CB 4.43Å; E566-K799 HydrophobicContact CG-CD 4.23Å; E566-K799 WeakPolarHBondContact OE2-CD 3.43Å; E566-K799 IonicContact OE2-NZ 2.85Å; E566-K799 PolarHBondContact OE2-NZ 3.22Å; E566-R859 VanDerWaalsContact O-CB 3.27Å; E566-R859 WeakPolarHBondContact O-CB 3.31Å; E566-R859 PolarHBondContact O-N 3.07Å; E566-R859 IonicContact OE1-NH2 2.85Å
567Y96.6Very high93.3Very high15 Ų1531.5 Ų31.56%0.05915%0.151CC..EExtended strand (participates in β ladder)trans-120.5112172.1-72-95.4000109.1I340 P341 S459 F460 F808 Y857 R858I340-Y567 HydrophobicContact CD1-CD1 4.19Å; I340-Y567 HydrophobicContact CD1-CE1 4.48Å; I340-Y567 HydrophobicContact CD1-CG 4.31Å; I340-Y567 HydrophobicContact CG1-CD1 4.13Å; I340-Y567 HydrophobicContact CG1-CE1 3.93Å; I340-Y567 HydrophobicContact CG2-CD2 3.96Å; I340-Y567 HydrophobicContact CG2-CE2 3.62Å; P341-Y567 WeakPolarHBondContact CD-OH 3.3Å; S459-Y567 PolarHBondContact O-N 2.71Å; F460-Y567 HydrophobicContact CE1-CG 4.42Å; Y567-F808 HydrophobicContact CD1-CD1 4.22Å; Y567-F808 AromaticContact CE1-CD1 3.99Å; Y567-F808 HydrophobicContact CE1-CD1 3.99Å; Y567-F808 HydrophobicContact CE1-CE1 4.18Å; Y567-F808 HydrophobicContact CE1-CG 4.17Å; Y567-Y857 CarbonylContact C-O 3.58Å; Y567-Y857 VanDerWaalsContact CA-O 3.24Å; Y567-Y857 WeakPolarHBondContact CA-O 3.4Å; Y567-R858 HydrophobicContact CD1-CB 4.12Å; Y567-R858 HydrophobicContact CD1-CG 4.47Å; Y567-R858 HydrophobicContact CE1-CB 3.74Å; Y567-R858 HydrophobicContact CE1-CG 3.81Å
568L97.1Very high92.6Very high0 Ų029.8 Ų29.80%015%0.148CC..EExtended strand (participates in β ladder)trans-85.2119.6174.8177.672000109.3I486 F561 P565 V570 L596 L598 Y805 Y857I486-L568 HydrophobicContact CD1-CD1 4.22Å; I486-L568 HydrophobicContact CD1-CD2 4.17Å; I486-L568 HydrophobicContact CD1-CG 4.41Å; I486-L568 HydrophobicContact CG1-CD1 4.28Å; I486-L568 HydrophobicContact CG2-CD1 4.13Å; F561-L568 HydrophobicContact CE1-CD1 4.23Å; P565-L568 HydrophobicContact CG-CB 4.11Å; P565-L568 HydrophobicContact CG-CD1 4.02Å; L568-V570 HydrophobicContact CD2-CG2 4.04Å; L568-V570 HydrophobicContact CG-CG2 3.97Å; L568-L596 HydrophobicContact CD2-CD2 4.26Å; L568-L598 HydrophobicContact CD2-CD1 3.43Å; L568-L598 VanDerWaalsContact CD2-CD1 3.43Å; L568-Y805 HydrophobicContact CB-CD1 4.02Å; L568-Y805 HydrophobicContact CB-CE1 3.66Å; L568-Y805 HydrophobicContact CB-CE2 4.48Å; L568-Y805 HydrophobicContact CD2-CD2 4.43Å; L568-Y805 HydrophobicContact CD2-CE2 4.3Å; L568-Y857 PolarHBondContact N-O 2.95Å; L568-Y857 PolarHBondContact O-N 3.46Å
569V97.9Very high92.1Very high0 Ų035.3 Ų35.30%018%0.182CC..EExtended strand (participates in β ladder)trans-95.6128.7174.1-169.60000109F439 F460 C485 I486 I854 Y855 F856F439-V569 HydrophobicContact CE1-CG1 4.22Å; F439-V569 HydrophobicContact CE1-CG2 4.31Å; F439-V569 HydrophobicContact CZ-CG1 4.43Å; F439-V569 HydrophobicContact CZ-CG2 3.88Å; F460-V569 HydrophobicContact CD1-CG2 3.54Å; F460-V569 HydrophobicContact CE1-CG2 3.92Å; F460-V569 HydrophobicContact CG-CG2 4.29Å; C485-V569 WeakPolarHBondContact CA-O 3.07Å; C485-V569 HydrophobicContact CB-CB 4.27Å; C485-V569 HydrophobicContact CB-CG1 4.29Å; I486-V569 WeakPolarHBondContact CG1-O 3.3Å; I486-V569 PolarHBondContact N-O 2.84Å; V569-I854 HydrophobicContact CG1-CG2 3.62Å; V569-Y855 WeakPolarHBondContact CA-O 3.42Å; V569-F856 HydrophobicContact CB-CE1 4.43Å; V569-F856 HydrophobicContact CG1-CD1 4.35Å; V569-F856 HydrophobicContact CG1-CE1 3.93Å; V569-F856 HydrophobicContact CG1-CZ 4.1Å; V569-F856 HydrophobicContact CG2-CD1 3.8Å; V569-F856 HydrophobicContact CG2-CE1 3.7Å
570V96.9Very high91.7Very high0 Ų040.3 Ų40.30%021%0.207CC..EExtended strand (participates in β ladder)trans-124.6114.6-176.7-1750000109.1I486 L488 F528 L568 I572 I854 Y855 Y857I486-V570 HydrophobicContact CD1-CB 4.37Å; I486-V570 HydrophobicContact CD1-CG1 4.12Å; I486-V570 HydrophobicContact CD1-CG2 3.72Å; I486-V570 HydrophobicContact CG1-CB 4Å; I486-V570 HydrophobicContact CG1-CG1 3.96Å; I486-V570 HydrophobicContact CG1-CG2 3.71Å; I486-V570 CarbonylContact O-C 3.53Å; I486-V570 WeakPolarHBondContact O-CA 3.12Å; L488-V570 HydrophobicContact CD1-CG1 3.42Å; L488-V570 VanDerWaalsContact CD1-CG1 3.42Å; L488-V570 HydrophobicContact CG-CG1 3.79Å; F528-V570 HydrophobicContact CE2-CG1 4.42Å; L568-V570 HydrophobicContact CD2-CG2 4.04Å; L568-V570 HydrophobicContact CG-CG2 3.97Å; V570-I572 HydrophobicContact CG1-CD1 4.34Å; V570-I854 CarbonylContact O-C 3.6Å; V570-I854 WeakPolarHBondContact O-CA 3.4Å; V570-Y855 PolarHBondContact N-O 3.08Å; V570-Y855 PolarHBondContact O-N 3.05Å; V570-Y857 HydrophobicContact CG2-CD2 3.94Å; V570-Y857 HydrophobicContact CG2-CE2 4.22Å
571Q96.4Very high91.1Very high15 Ų1545.8 Ų45.87%0.0723%0.227CC..EExtended strand (participates in β ladder)trans-95130.3169.9-174.2-168.721.300109.6H436 I486 Q487 L488 Y853H436-Q571 PolarHBondContact CE1-OE1 3.45Å; H436-Q571 VanDerWaalsContact CE1-OE1 3.31Å; H436-Q571 PolarHBondContact NE2-OE1 2.8Å; I486-Q571 PolarHBondContact O-N 3.19Å; Q487-Q571 WeakPolarHBondContact CA-O 3.45Å; Q487-Q571 VanDerWaalsContact NE2-OE1 3.08Å; L488-Q571 PolarHBondContact N-O 3.31Å; Q571-Y853 HydrophobicContact CG-CD2 4.4Å; Q571-Y853 HydrophobicContact CG-CE2 3.72Å; Q571-Y853 PolarHBondContact NE2-OH 3.3Å
572I94.3Very high90.2Very high2 Ų249.7 Ų49.71%0.0125%0.251CS..EExtended strand (participates in β ladder)trans-88.4121.2169.2-59.4-55.4000109.2L488 A490 V570 K574 I590 Y853 Y855L488-I572 HydrophobicContact CB-CD1 4.16Å; L488-I572 HydrophobicContact CD1-CD1 4.33Å; A490-I572 HydrophobicContact CB-CG2 4.35Å; V570-I572 HydrophobicContact CG1-CD1 4.34Å; I572-K574 HydrophobicContact CG2-CB 4.14Å; I572-K574 PolarHBondContact O-N 3.46Å; I572-I590 HydrophobicContact CB-CD1 4.17Å; I572-I590 HydrophobicContact CD1-CD1 3.84Å; I572-I590 HydrophobicContact CG1-CD1 3.91Å; I572-I590 HydrophobicContact CG2-CD1 3.2Å; I572-Y853 PolarHBondContact N-O 3.43Å; I572-Y855 HydrophobicContact CD1-CE2 4.37Å; I572-Y855 HydrophobicContact CG1-CD2 4.04Å; I572-Y855 HydrophobicContact CG1-CE2 3.56Å
573K92Very high89.4Confident94 Ų9451.7 Ų51.741%0.40926%0.263SS..EExtended strand (participates in β ladder)trans-75.572.2173.3-72.7-176.3160.8162.80111.1Q487 L488 F575Q487-K573 HydrophobicContact CB-CD 4.14Å; Q487-K573 HydrophobicContact CB-CG 4.25Å; L488-K573 WeakPolarHBondContact O-CB 2.96Å; L488-K573 PolarHBondContact O-N 3.37Å; K573-F575 PolarHBondContact O-N 3.21Å
574K87.8Confident88.6Confident8 Ų856.9 Ų56.94%0.03528%0.284CS..  trans-88.634.7176.762.7-178.5176.1-170.90113.3I572 L586 L588 L851 G852 Y853I572-K574 HydrophobicContact CG2-CB 4.14Å; I572-K574 PolarHBondContact O-N 3.46Å; K574-L586 HydrophobicContact CB-CB 4.44Å; K574-L586 PolarHBondContact O-N 2.63Å; K574-L588 HydrophobicContact CB-CD1 4.46Å; K574-L851 PolarHBondContact NZ-O 2.82Å; K574-L851 VanDerWaalsContact NZ-O 3.11Å; K574-G852 PolarHBondContact NZ-O 3.24Å; K574-Y853 HydrophobicContact CG-CD2 4.45Å
575F87.3Confident88Confident69 Ų6958.1 Ų58.130%0.30329%0.29SS..EExtended strand (participates in β ladder)trans-135.4142.4178.8-48.9-78.2000109.6K573 K584 K585 T818 Y853K573-F575 PolarHBondContact O-N 3.21Å; F575-K584 WeakPolarHBondContact CA-O 3.44Å; F575-K585 HydrophobicContact CD1-CB 4.18Å; F575-K585 HydrophobicContact CD1-CG 4.26Å; F575-K585 HydrophobicContact CE1-CB 4.24Å; F575-K585 HydrophobicContact CE1-CG 4Å; F575-T818 HydrophobicContact CD1-CG2 3.89Å; F575-T818 HydrophobicContact CE1-CG2 4.39Å; F575-Y853 HydrophobicContact CE2-CD2 4.25Å; F575-Y853 AromaticContact CE2-CE2 3.5Å; F575-Y853 HydrophobicContact CE2-CE2 3.5Å; F575-Y853 VanDerWaalsContact CE2-CE2 3.5Å; F575-Y853 AromaticContact CE2-CZ 3.76Å; F575-Y853 HydrophobicContact CZ-CE2 4.1Å
576T87.5Confident87.4Confident71 Ų7159.5 Ų59.544%0.43630%0.297SS..EExtended strand (participates in β ladder)trans-144.2162.2175.1-168.80000110.1K584 L586T576-K584 PolarHBondContact N-O 3.39Å; T576-K584 PolarHBondContact O-N 3Å; T576-L586 HydrophobicContact CG2-CD1 4.44Å; T576-L586 HydrophobicContact CG2-CD2 3.57Å; T576-L586 HydrophobicContact CG2-CG 4.13Å
577F83.6Confident86.6Confident127 Ų12760.2 Ų60.256%0.55730%0.303SS*.EExtended strand (participates in β ladder)trans-80.5135.9168.3-68.2-72.2000110.5W581 P583F577-W581 HydrophobicContact CB-CE3 4.22Å; F577-W581 HydrophobicContact CD1-CE3 4.27Å; F577-W581 WeakPolarHBondContact CD1-O 3.38Å; F577-W581 HydrophobicContact CD2-CE3 4.44Å; F577-W581 HydrophobicContact CD2-CZ3 4.47Å; F577-W581 HydrophobicContact CG-CE3 4.05Å; F577-W581 HydrophobicContact CG-CZ3 4.48Å; F577-P583 HydrophobicContact CD1-CG 4.38Å; F577-P583 HydrophobicContact CE1-CG 4.05Å
578G78.9Confident86.1Confident17 Ų1760.2 Ų60.218%0.17530%0.304CS..  trans-73.9176.2164.100000111.7D580 W581 V582G578-D580 PolarHBondContact O-N 3.45Å; G578-W581 PolarHBondContact O-N 2.74Å; G578-V582 PolarHBondContact N-O 2.93Å
579V81.3Confident85.9Confident139 Ų13960.4 Ų60.484%0.84231%0.305SS*.THydrogen-bonded Turntrans-57.2-32.1178.6-174.60000112.2W581V579-W581 VanDerWaalsContact C-N 3.32Å; V579-W581 PolarHBondContact O-N 3.26Å
580D85.7Confident85.6Confident125 Ų12560.6 Ų60.667%0.66831%0.306SS*.THydrogen-bonded Turntrans-92.316.8-179.8-48.9-46.8000113.3G578 V582G578-D580 PolarHBondContact O-N 3.45Å; D580-V582 HydrophobicContact CB-CG2 4.26Å; D580-V582 PolarHBondContact O-N 2.65Å
581W80.2Confident85.3Confident198 Ų19864.9 Ų64.975%0.7533%0.329SS*.SBendtrans60.811.1-173.8-5995.4000115.5F577 G578 V579 P583F577-W581 HydrophobicContact CB-CE3 4.22Å; F577-W581 HydrophobicContact CD1-CE3 4.27Å; F577-W581 WeakPolarHBondContact CD1-O 3.38Å; F577-W581 HydrophobicContact CD2-CE3 4.44Å; F577-W581 HydrophobicContact CD2-CZ3 4.47Å; F577-W581 HydrophobicContact CG-CE3 4.05Å; F577-W581 HydrophobicContact CG-CZ3 4.48Å; G578-W581 PolarHBondContact O-N 2.74Å; V579-W581 VanDerWaalsContact C-N 3.32Å; V579-W581 PolarHBondContact O-N 3.26Å; W581-P583 WeakPolarHBondContact O-CD 3.29Å
582V74.5Confident85.2Confident84 Ų8464.8 Ų64.851%0.50933%0.33SS..  trans-72.8123.4171-179.70000109G578 D580 K584G578-V582 PolarHBondContact N-O 2.93Å; D580-V582 HydrophobicContact CB-CG2 4.26Å; D580-V582 PolarHBondContact O-N 2.65Å; V582-K584 PolarHBondContact O-N 3.18Å
583P76.9Confident85.2Confident62 Ų6266.7 Ų66.740%0.40334%0.342SS..EExtended strand (participates in β ladder)trans-64.4129.4176.7-19.231000111.2F577 W581 T818F577-P583 HydrophobicContact CD1-CG 4.38Å; F577-P583 HydrophobicContact CE1-CG 4.05Å; W581-P583 WeakPolarHBondContact O-CD 3.29Å; P583-T818 HydrophobicContact CB-CG2 4.11Å; P583-T818 WeakPolarHBondContact O-CG2 3.36Å; P583-T818 PolarHBondContact O-OG1 2.87Å; P583-T818 VanDerWaalsContact O-OG1 3.07Å
584K78.4Confident85.3Confident113 Ų11365 Ų6549%0.49134%0.338SS..EExtended strand (participates in β ladder)trans-119.5132.7179.2-67.3-176.3179.9-177.60110.6F575 T576 V582F575-K584 WeakPolarHBondContact CA-O 3.44Å; T576-K584 PolarHBondContact N-O 3.39Å; T576-K584 PolarHBondContact O-N 3Å; V582-K584 PolarHBondContact O-N 3.18Å
585K83.2Confident85.6Confident27 Ų2771.1 Ų71.112%0.11737%0.365CS..EExtended strand (participates in β ladder)trans-73.6130.4167.9-172.8-171.9179.2-1700107.7E299 F575 H813 G815 T818E299-K585 IonicContact OE1-NZ 3.72Å; E299-K585 PolarHBondContact OE1-NZ 3.29Å; E299-K585 IonicContact OE2-NZ 3.79Å; E299-K585 PolarHBondContact OE2-NZ 3.28Å; F575-K585 HydrophobicContact CD1-CB 4.18Å; F575-K585 HydrophobicContact CD1-CG 4.26Å; F575-K585 HydrophobicContact CE1-CB 4.24Å; F575-K585 HydrophobicContact CE1-CG 4Å; K585-H813 PolarHBondContact NZ-O 2.93Å; K585-G815 WeakPolarHBondContact CD-O 3.29Å; K585-G815 WeakPolarHBondContact CE-O 3.17Å; K585-G815 PolarHBondContact NZ-O 2.83Å; K585-T818 HydrophobicContact CB-CG2 4.12Å; K585-T818 VanDerWaalsContact N-CG2 3.27Å
586L83.7Confident86Confident29 Ų2968.5 Ų68.515%0.15235%0.353CS..  trans-83.3119.9172.6-60.3175.2000108.1I492 K574 T576 L588I492-L586 HydrophobicContact CD1-CD1 4.06Å; I492-L586 HydrophobicContact CD1-CD2 3.75Å; I492-L586 HydrophobicContact CD1-CG 4.47Å; I492-L586 HydrophobicContact CG1-CD1 4.47Å; K574-L586 HydrophobicContact CB-CB 4.44Å; K574-L586 PolarHBondContact O-N 2.63Å; T576-L586 HydrophobicContact CG2-CD1 4.44Å; T576-L586 HydrophobicContact CG2-CD2 3.57Å; T576-L586 HydrophobicContact CG2-CG 4.13Å; L586-L588 VanDerWaalsContact C-N 3.31Å; L586-L588 HydrophobicContact CB-CD1 3.58Å; L586-L588 HydrophobicContact CB-CD2 4.02Å; L586-L588 HydrophobicContact CB-CG 3.55Å; L586-L588 HydrophobicContact CD1-CD1 3.97Å; L586-L588 HydrophobicContact CG-CD1 4.42Å; L586-L588 PolarHBondContact O-N 3.46Å
587D78.6Confident86.3Confident70 Ų7069 Ų6937%0.37435%0.353SS..  trans-80.880.6176.1-167.718.5000109.8R523R523-D587 VanDerWaalsContact CD-OD1 3.27Å; R523-D587 WeakPolarHBondContact CD-OD1 3.44Å; R523-D587 IonicContact CZ-OD1 3.35Å; R523-D587 IonicContact NE-OD1 3.1Å; R523-D587 PolarHBondContact NE-OD1 3.47Å; R523-D587 IonicContact NE-OD2 2.95Å
588L86.8Confident86.7Confident15 Ų1563 Ų638%0.07933%0.327CS..EExtended strand (participates in β ladder)trans-113.7146.4-174-48.7174.5000110.3A490 I492 A524 I526 K574 L586A490-L588 HydrophobicContact CB-CD1 3.5Å; I492-L588 HydrophobicContact CG1-CD2 4.16Å; A524-L588 HydrophobicContact CB-CD2 3.58Å; I526-L588 HydrophobicContact CD1-CD1 3.94Å; I526-L588 HydrophobicContact CD1-CD2 4.1Å; I526-L588 HydrophobicContact CD1-CG 4.41Å; K574-L588 HydrophobicContact CB-CD1 4.46Å; L586-L588 VanDerWaalsContact C-N 3.31Å; L586-L588 HydrophobicContact CB-CD1 3.58Å; L586-L588 HydrophobicContact CB-CD2 4.02Å; L586-L588 HydrophobicContact CB-CG 3.55Å; L586-L588 HydrophobicContact CD1-CD1 3.97Å; L586-L588 HydrophobicContact CG-CD1 4.42Å; L586-L588 PolarHBondContact O-N 3.46Å
589A91Very high87.3Confident4 Ų464.9 Ų64.93%0.03334%0.337CS..EExtended strand (participates in β ladder)trans-111.8124.8164.900000108.1R523 A524 R525 I526 D850 L851R523-A589 HydrophobicContact CB-CB 4.25Å; A524-A589 PolarHBondContact O-N 3.01Å; A524-A589 VanDerWaalsContact O-O 3.08Å; R525-A589 CarbonylContact C-O 3.56Å; R525-A589 WeakPolarHBondContact CA-O 3.33Å; R525-A589 HydrophobicContact CG-CB 4.31Å; I526-A589 PolarHBondContact N-O 3.34Å; A589-D850 WeakPolarHBondContact CA-O 3.44Å; A589-D850 HydrophobicContact CB-CB 4.29Å; A589-L851 HydrophobicContact CB-CD2 4.39Å
590I92.5Very high87.8Confident4 Ų469 Ų692%0.02134%0.338CS..EExtended strand (participates in β ladder)trans-111.1127.1-179.8-61.4-177.6000109.2A490 I526 F528 I572 V592 D850A490-I590 HydrophobicContact CB-CD1 4.37Å; I526-I590 HydrophobicContact CB-CG1 4.45Å; I526-I590 WeakPolarHBondContact O-CA 3.27Å; F528-I590 HydrophobicContact CB-CG2 4.14Å; F528-I590 HydrophobicContact CD2-CG2 3.97Å; I572-I590 HydrophobicContact CB-CD1 4.17Å; I572-I590 HydrophobicContact CD1-CD1 3.84Å; I572-I590 HydrophobicContact CG1-CD1 3.91Å; I572-I590 HydrophobicContact CG2-CD1 3.2Å; I590-V592 HydrophobicContact CB-CG2 4.18Å; I590-V592 HydrophobicContact CG2-CG2 3.8Å; I590-V592 PolarHBondContact O-N 2.99Å; I590-D850 PolarHBondContact N-O 3.43Å; I590-D850 WeakPolarHBondContact O-CA 3.4Å; I590-D850 WeakPolarHBondContact O-CB 3.24Å
591D91.3Very high88Confident89 Ų8964.3 Ų64.348%0.47631%0.312SS..EExtended strand (participates in β ladder)trans-76.676.3-179.6-66.1-30.7000110.9I526 F528I526-D591 PolarHBondContact O-N 3.12Å; I526-D591 VanDerWaalsContact O-N 3.08Å; F528-D591 WeakPolarHBondContact CB-O 3.43Å
592V93.4Very high88.7Confident14 Ų1458.9 Ų58.99%0.08529%0.292CS..  trans-75.1124.5-176-178.90000110.7F528 I590 Y855 Y857F528-V592 HydrophobicContact CD2-CG2 4.08Å; I590-V592 HydrophobicContact CB-CG2 4.18Å; I590-V592 HydrophobicContact CG2-CG2 3.8Å; I590-V592 PolarHBondContact O-N 2.99Å; V592-Y855 HydrophobicContact CB-CE1 4.1Å; V592-Y855 HydrophobicContact CG1-CD1 3.9Å; V592-Y855 HydrophobicContact CG1-CE1 3.95Å; V592-Y855 HydrophobicContact CG1-CG 4.5Å; V592-Y855 HydrophobicContact CG2-CD1 4.39Å; V592-Y855 HydrophobicContact CG2-CE1 3.76Å; V592-Y855 HydrophobicContact CG2-CE2 4.21Å; V592-Y857 HydrophobicContact CG1-CE2 4.41Å; V592-Y857 WeakPolarHBondContact CG1-OH 3.47Å
593P94.3Very high89.5Confident42 Ų4255.7 Ų55.727%0.27328%0.275SS..  trans-78.6148.5-177.332.7-36.4000112.5F528 F595 L596 Y857F528-P593 HydrophobicContact CD1-CG 3.89Å; F528-P593 HydrophobicContact CE1-CG 4.32Å; F528-P593 HydrophobicContact CG-CG 4.47Å; P593-F595 VanDerWaalsContact C-N 3.31Å; P593-F595 WeakPolarHBondContact CB-O 3.33Å; P593-L596 HydrophobicContact CG-CD1 4.28Å; P593-Y857 PolarHBondContact O-OH 3.28Å
594D93.7Very high90.2Very high58 Ų5857.7 Ų57.731%0.3129%0.286SS..SBendtrans-69.5-30.8171.4-79.4-48.5000112.8E806 L807 K849D594-E806 CarbonylContact O-C 3.53Å; D594-E806 VanDerWaalsContact O-CA 3.31Å; D594-E806 WeakPolarHBondContact O-CA 3.25Å; D594-L807 PolarHBondContact O-N 2.77Å; D594-K849 WeakPolarHBondContact OD1-CE 3.4Å; D594-K849 IonicContact OD1-NZ 3.96Å; D594-K849 PolarHBondContact OD1-NZ 3.26Å; D594-K849 IonicContact OD2-NZ 2.7Å; D594-K849 PolarHBondContact OD2-NZ 2.95Å
595F95.5Very high90.8Very high137 Ų13753.2 Ų53.260%0.60127%0.272SS*.EExtended strand (participates in β ladder)trans-121.6128.9179-65.3-79.6000109.4P593 Y805 E806 L860P593-F595 VanDerWaalsContact C-N 3.31Å; P593-F595 WeakPolarHBondContact CB-O 3.33Å; F595-Y805 WeakPolarHBondContact CA-O 3.28Å; F595-E806 HydrophobicContact CD1-CB 4.29Å; F595-E806 HydrophobicContact CD1-CG 4.39Å; F595-E806 HydrophobicContact CE1-CB 4.21Å; F595-E806 HydrophobicContact CE1-CG 4Å; F595-L860 HydrophobicContact CD1-CD1 4.11Å; F595-L860 HydrophobicContact CE1-CD1 4.36Å
596L94.3Very high91.1Very high13 Ų1355.8 Ų55.87%0.06829%0.286CS..EExtended strand (participates in β ladder)trans-125.3124.4-174.7179.660.6000110.3F528 L532 L568 P593 L598 R804 Y805 Y857F528-L596 HydrophobicContact CD1-CD1 4.26Å; F528-L596 HydrophobicContact CE1-CD1 3.63Å; F528-L596 HydrophobicContact CE1-CD2 3.95Å; F528-L596 HydrophobicContact CE1-CG 4.42Å; F528-L596 HydrophobicContact CZ-CD2 4.21Å; L532-L596 HydrophobicContact CD1-CD1 4.03Å; L568-L596 HydrophobicContact CD2-CD2 4.26Å; P593-L596 HydrophobicContact CG-CD1 4.28Å; L596-L598 HydrophobicContact CD1-CD2 3.75Å; L596-L598 HydrophobicContact CD1-CG 4.36Å; L596-L598 HydrophobicContact CD2-CD1 4.1Å; L596-L598 HydrophobicContact CD2-CD2 4Å; L596-L598 HydrophobicContact CD2-CG 4.05Å; L596-L598 HydrophobicContact CG-CD1 4.47Å; L596-L598 HydrophobicContact CG-CD2 3.82Å; L596-L598 HydrophobicContact CG-CG 3.89Å; L596-R804 CarbonylContact O-C 3.46Å; L596-R804 WeakPolarHBondContact O-CA 3.26Å; L596-Y805 PolarHBondContact N-O 3.39Å; L596-Y805 PolarHBondContact O-N 3.04Å; L596-Y857 HydrophobicContact CB-CD1 4.02Å; L596-Y857 HydrophobicContact CB-CE1 3.67Å; L596-Y857 HydrophobicContact CD2-CD1 4.32Å; L596-Y857 HydrophobicContact CD2-CD2 4.42Å; L596-Y857 HydrophobicContact CD2-CE1 4.12Å; L596-Y857 HydrophobicContact CD2-CE2 4.22Å; L596-Y857 HydrophobicContact CD2-CG 4.44Å
597D94.3Very high91.5Very high82 Ų8258.4 Ų58.444%0.43930%0.298SS..EExtended strand (participates in β ladder)trans-113.7108.2174.1-168.1-15.9000109.8S599 R804D597-S599 WeakPolarHBondContact OD1-CB 3.44Å; D597-S599 PolarHBondContact OD1-N 3.4Å; D597-S599 PolarHBondContact OD1-OG 3.12Å; D597-R804 HydrophobicContact CB-CG 4.5Å; D597-R804 IonicContact OD2-NE 3.38Å; D597-R804 PolarHBondContact OD2-NE 3.41Å
598L93.1Very high91.8Very high2 Ų260.5 Ų60.51%0.0133%0.325CS..  trans-1026.2177.6-57.8-177.8000112.5L532 F561 F564 L568 L596 R600 L601 G803 Y805L532-L598 HydrophobicContact CD1-CD2 3.9Å; L532-L598 HydrophobicContact CD2-CD2 3.98Å; F561-L598 HydrophobicContact CE2-CD1 4.42Å; F561-L598 HydrophobicContact CZ-CD1 4.22Å; F564-L598 HydrophobicContact CE1-CB 3.73Å; F564-L598 HydrophobicContact CE1-CD1 4.37Å; F564-L598 HydrophobicContact CZ-CB 3.98Å; F564-L598 VanDerWaalsContact CZ-O 3.23Å; F564-L598 WeakPolarHBondContact CZ-O 3.48Å; L568-L598 HydrophobicContact CD2-CD1 3.43Å; L568-L598 VanDerWaalsContact CD2-CD1 3.43Å; L596-L598 HydrophobicContact CD1-CD2 3.75Å; L596-L598 HydrophobicContact CD1-CG 4.36Å; L596-L598 HydrophobicContact CD2-CD1 4.1Å; L596-L598 HydrophobicContact CD2-CD2 4Å; L596-L598 HydrophobicContact CD2-CG 4.05Å; L596-L598 HydrophobicContact CG-CD1 4.47Å; L596-L598 HydrophobicContact CG-CD2 3.82Å; L596-L598 HydrophobicContact CG-CG 3.89Å; L598-R600 PolarHBondContact O-N 2.91Å; L598-L601 HydrophobicContact CD2-CD1 4.01Å; L598-L601 WeakPolarHBondContact O-CA 3.39Å; L598-L601 WeakPolarHBondContact O-CB 3.1Å; L598-L601 PolarHBondContact O-N 3.25Å; L598-G803 PolarHBondContact N-O 3.4Å; L598-Y805 HydrophobicContact CD1-CE2 4.37Å
599S91.4Very high91.8Very high55 Ų5563.8 Ų63.839%0.38536%0.362SS..G310 helixtrans-53.2-33.1-175.656.10000113.8D597 L601 R602D597-S599 WeakPolarHBondContact OD1-CB 3.44Å; D597-S599 PolarHBondContact OD1-N 3.4Å; D597-S599 PolarHBondContact OD1-OG 3.12Å; S599-L601 PolarHBondContact O-N 2.85Å; S599-R602 WeakPolarHBondContact O-CB 3.31Å; S599-R602 PolarHBondContact O-N 2.9Å
600R90.4Very high91.8Very high227 Ų22766 Ų6686%0.85737%0.372SS*.G310 helixtrans-70.6-13.5176.9-58.3-175.2-176.8-151.90.8114.4R560 L598R560-R600 PolarHBondContact NH1-O 3.19Å; L598-R600 PolarHBondContact O-N 2.91Å
601L91.1Very high91.7Very high25 Ų2571.5 Ų71.513%0.13140%0.397CS..G310 helixtrans-98.32.6179.2-52.9-171.7000112.5L532 T536 F561 L598 S599 A603L532-L601 HydrophobicContact CD2-CD1 4.46Å; T536-L601 HydrophobicContact CG2-CD1 4.01Å; T536-L601 HydrophobicContact CG2-CD2 3.95Å; T536-L601 HydrophobicContact CG2-CG 4.48Å; F561-L601 HydrophobicContact CD2-CB 3.88Å; F561-L601 HydrophobicContact CE2-CB 4.28Å; F561-L601 HydrophobicContact CE2-CD1 4.2Å; F561-L601 PolarHBondContact N-O 2.66Å; F561-L601 VanDerWaalsContact N-O 3.09Å; L598-L601 HydrophobicContact CD2-CD1 4.01Å; L598-L601 WeakPolarHBondContact O-CA 3.39Å; L598-L601 WeakPolarHBondContact O-CB 3.1Å; L598-L601 PolarHBondContact O-N 3.25Å; S599-L601 PolarHBondContact O-N 2.85Å; L601-A603 PolarHBondContact O-N 3.49Å
602R93.8Very high91.6Very high84 Ų8472.7 Ų72.732%0.31740%0.4SS..BIsolated β-bridgetrans-61.6133.3172.5-173168-87.5-98.75.7109.6F561 A562 F564 S599 D800 G801F561-R602 CarbonylContact O-C 3.57Å; F561-R602 WeakPolarHBondContact O-CA 3.41Å; A562-R602 PolarHBondContact O-NH1 3.01Å; F564-R602 HydrophobicContact CE2-CB 3.91Å; F564-R602 HydrophobicContact CE2-CG 4.36Å; F564-R602 HydrophobicContact CZ-CB 4.23Å; S599-R602 WeakPolarHBondContact O-CB 3.31Å; S599-R602 PolarHBondContact O-N 2.9Å; R602-D800 IonicContact CZ-OD1 3.34Å; R602-D800 IonicContact CZ-OD2 3.85Å; R602-D800 VanDerWaalsContact CZ-OD2 3.31Å; R602-D800 IonicContact NH1-OD1 3.54Å; R602-D800 IonicContact NH1-OD2 3.43Å; R602-D800 PolarHBondContact NH1-OD2 3.35Å; R602-D800 IonicContact NH2-OD1 3.63Å; R602-D800 PolarHBondContact NH2-OD1 2.89Å; R602-D800 IonicContact NH2-OD2 3.48Å; R602-D800 PolarHBondContact NH2-OD2 3.01Å; R602-G801 PolarHBondContact NH2-O 3.19Å
603A92.3Very high91.3Very high18 Ų1872.3 Ų72.315%0.14940%0.398CS..  trans-70.5153.2176.100000110.4E465 R560 F561 L601E465-A603 HydrophobicContact CB-CB 3.66Å; E465-A603 VanDerWaalsContact CD-CB 3.5Å; E465-A603 HydrophobicContact CG-CB 4.19Å; E465-A603 WeakPolarHBondContact OE1-CB 3.31Å; R560-A603 HydrophobicContact CB-CB 3.68Å; F561-A603 WeakPolarHBondContact O-CB 3.32Å; F561-A603 PolarHBondContact O-N 2.89Å; L601-A603 PolarHBondContact O-N 3.49Å
604T90.4Very high90.7Very high104 Ų10472.9 Ų72.964%0.63840%0.401SS*.  trans-117.5-1.5-176.854.60000112.3Q607T604-Q607 VanDerWaalsContact C-NE2 3.35Å; T604-Q607 PolarHBondContact O-NE2 3.31Å; T604-Q607 PolarHBondContact OG1-NE2 3.29Å
605G91.1Very high89.5Confident19 Ų1976.4 Ų76.420%0.19642%0.42CS..  trans63.9-164.9-173.100000112.7E465 Y478 Q607E465-G605 PolarHBondContact OE1-N 2.73Å; E465-G605 WeakPolarHBondContact OE2-CA 3.3Å; E465-G605 PolarHBondContact OE2-N 3.1Å; Y478-G605 PolarHBondContact OH-O 3.14Å; G605-Q607 PolarHBondContact O-N 2.79Å; G605-Q607 PolarHBondContact O-NE2 3.46Å
606L91.1Very high87.8Confident81 Ų8174.7 Ų74.742%0.42442%0.417SS..SBendtrans-58.4126.5175.7-176.268.7000111.3V476 Y478 E610 E612V476-L606 HydrophobicContact CG2-CD1 3.75Å; Y478-L606 HydrophobicContact CD2-CB 4.24Å; Y478-L606 HydrophobicContact CD2-CD1 4.13Å; Y478-L606 HydrophobicContact CE2-CB 4.06Å; Y478-L606 HydrophobicContact CE2-CD1 3.67Å; Y478-L606 HydrophobicContact CE2-CG 4.5Å; L606-E610 HydrophobicContact CD1-CB 3.77Å; L606-E612 HydrophobicContact CD1-CG 3.95Å; L606-E612 HydrophobicContact CD2-CG 4Å
607Q92Very high85.7Confident84 Ų8481.2 Ų81.239%0.39345%0.449SS..  trans-93.5152.7-178.4-61.3-55.1-70.800112.9T604 G605 G609 E610T604-Q607 VanDerWaalsContact C-NE2 3.35Å; T604-Q607 PolarHBondContact O-NE2 3.31Å; T604-Q607 PolarHBondContact OG1-NE2 3.29Å; G605-Q607 PolarHBondContact O-N 2.79Å; G605-Q607 PolarHBondContact O-NE2 3.46Å; Q607-G609 PolarHBondContact O-N 2.96Å; Q607-G609 VanDerWaalsContact O-N 3.09Å; Q607-E610 HydrophobicContact CB-CG 4.12Å; Q607-E610 PolarHBondContact N-OE2 3.44Å; Q607-E610 VanDerWaalsContact N-OE2 3.07Å; Q607-E610 PolarHBondContact O-N 2.94Å
608A84.4Confident83.6Confident113 Ų11378.5 Ų78.593%0.93444%0.435SS*.THydrogen-bonded Turntrans-62.5112.5173.700000110.7
609G86.6Confident81.4Confident84 Ų8483.8 Ų83.887%0.86647%0.47SS*.THydrogen-bonded Turntrans108.2-1.9-17700000114.6Q607Q607-G609 PolarHBondContact O-N 2.96Å; Q607-G609 VanDerWaalsContact O-N 3.09Å
610E91.2Very high79.4Confident52 Ų5284.9 Ų84.924%0.24347%0.471CS..PPolyproline II helixtrans-88.8139.7167.7-65.3-174.8141.200110.9R467 V476 Y478 L606 Q607R467-E610 IonicContact CZ-OE1 2.86Å; R467-E610 IonicContact NE-OE1 2.86Å; R467-E610 PolarHBondContact NE-OE1 3.32Å; R467-E610 IonicContact NH2-OE1 2.67Å; R467-E610 PolarHBondContact NH2-OE1 2.77Å; V476-E610 HydrophobicContact CG2-CB 3.83Å; V476-E610 HydrophobicContact CG2-CG 4.48Å; Y478-E610 PolarHBondContact OH-OE1 2.84Å; Y478-E610 PolarHBondContact OH-OE2 2.87Å; L606-E610 HydrophobicContact CD1-CB 3.77Å; Q607-E610 HydrophobicContact CB-CG 4.12Å; Q607-E610 PolarHBondContact N-OE2 3.44Å; Q607-E610 VanDerWaalsContact N-OE2 3.07Å; Q607-E610 PolarHBondContact O-N 2.94Å
611E89.5Confident77.3Confident118 Ų11879.3 Ų79.355%0.55146%0.461SS*.PPolyproline II helixtrans-103.6134.4173.2-72.1-178-170.900109.8R475 V476R475-E611 CarbonylContact C-O 3.52Å; R475-E611 WeakPolarHBondContact CA-O 3.36Å; R475-E611 WeakPolarHBondContact CB-O 3.16Å; R475-E611 HydrophobicContact CG-CB 3.97Å; R475-E611 IonicContact CZ-OE2 2.63Å; R475-E611 IonicContact NE-OE2 3.48Å; R475-E611 PolarHBondContact NE-OE2 2.76Å; R475-E611 IonicContact NH2-OE2 3.55Å; R475-E611 PolarHBondContact NH2-OE2 3.4Å; V476-E611 PolarHBondContact N-O 2.83Å
612E89.6Confident75Confident115 Ų11584.4 Ų84.454%0.53749%0.488SS..BIsolated β-bridgetrans-76.3147.3178.1-70-170.9157.200112.7R475 V476 L606R475-E612 WeakPolarHBondContact CD-O 3.16Å; V476-E612 CarbonylContact O-C 3.54Å; V476-E612 VanDerWaalsContact O-CA 3.24Å; V476-E612 WeakPolarHBondContact O-CA 3.48Å; L606-E612 HydrophobicContact CD1-CG 3.95Å; L606-E612 HydrophobicContact CD2-CG 4Å
613L87.1Confident72.5Confident6 Ų683.4 Ų83.43%0.03149%0.493CS..PPolyproline II helixtrans-66.2126.6170.3-79.4166000109.3C470 R475 V476 R477 F544 A548C470-L613 HydrophobicContact CB-CD2 4.42Å; R475-L613 HydrophobicContact CB-CD2 3.74Å; R475-L613 HydrophobicContact CB-CG 3.87Å; V476-L613 PolarHBondContact O-N 3.32Å; R477-L613 HydrophobicContact CB-CB 4.44Å; R477-L613 HydrophobicContact CB-CD1 4.04Å; F544-L613 HydrophobicContact CE1-CD1 4.19Å; F544-L613 HydrophobicContact CZ-CD1 3.83Å; A548-L613 HydrophobicContact CB-CD2 3.81Å
614P82.1Confident70Confident54 Ų5490.9 Ų90.935%0.35153%0.525SS..PPolyproline II helixtrans-53148175.6-24.332.9000111.7R477 S547 A548R477-P614 PolarHBondContact NH2-O 2.84Å; S547-P614 WeakPolarHBondContact CB-O 3.49Å; S547-P614 PolarHBondContact OG-O 2.95Å; A548-P614 HydrophobicContact CB-CG 4.46Å
615D68.8Low67.6Low132 Ų13293.5 Ų93.571%0.70654%0.535SS*.PPolyproline II helixtrans-64.2149.3171.7-66.5-35.8000110.5M617D615-M617 PolarHBondContact O-N 3.13Å
616L58.7Low65.3Low101 Ų10197 Ų9753%0.52955%0.552SS.*SBendtrans-68.6-0.8-173.8-74.5160000113.5P618L616-P618 VanDerWaalsContact O-CD 3.29Å; L616-P618 WeakPolarHBondContact O-CD 3.47Å
617M50Low62.8Low149 Ų149103.7 Ų103.773%0.73457%0.572SS**SBendtrans-88.8110.4179.6-144.4161.56700109D615D615-M617 PolarHBondContact O-N 3.13Å
618P50.8Low60.1Low25 Ų25107 Ų10716%0.16259%0.592CS.*PPolyproline II helixtrans-62.2134.3177-15.127.9000109.1L616 I620 Y663L616-P618 VanDerWaalsContact O-CD 3.29Å; L616-P618 WeakPolarHBondContact O-CD 3.47Å; P618-I620 PolarHBondContact O-N 3.37Å; P618-Y663 HydrophobicContact CB-CD1 4.18Å; P618-Y663 HydrophobicContact CB-CE1 4.37Å; P618-Y663 HydrophobicContact CG-CD1 4.16Å; P618-Y663 HydrophobicContact CG-CE1 4.03Å
619P47.8Very low57.8Low113 Ų113109 Ų10973%0.73459%0.587SS**PPolyproline II helixtrans-60.2129170.923.4-30.1000109.1V621P619-V621 PolarHBondContact O-N 3.3Å
620I49.3Very low55.2Low79 Ų79109.4 Ų109.441%0.40558%0.577SS.*PPolyproline II helixtrans-59121.3173.2-60.1170.6000107.3P618 L622P618-I620 PolarHBondContact O-N 3.37Å; I620-L622 HydrophobicContact CG2-CD2 4.18Å; I620-L622 HydrophobicContact CG2-CG 4.11Å; I620-L622 PolarHBondContact O-N 3.32Å
621V46.8Very low52.5Low109 Ų109116.6 Ų116.666%0.66161%0.613SS**  trans-74.792.7176.8-176.60000107.9P619P619-V621 PolarHBondContact O-N 3.3Å
622L42.4Very low49.8Very low133 Ų133116.2 Ų116.270%0.69662%0.623SS**  trans-89.7131.5167.7-66.4171.7000109I620I620-L622 HydrophobicContact CG2-CD2 4.18Å; I620-L622 HydrophobicContact CG2-CG 4.11Å; I620-L622 PolarHBondContact O-N 3.32Å
623P40.2Very low47Very low63 Ų63114.6 Ų114.641%0.40963%0.625SS.*  trans-62.2144.2179.121.4-29.5000112.2D625P623-D625 PolarHBondContact O-N 3.36Å; P623-D625 VanDerWaalsContact O-N 3.08Å
624E41.2Very low44.3Very low175 Ų175121.6 Ų121.682%0.81867%0.668SS**G310 helixtrans-63-11.1177.9-75.4-172.4139.400113.9
625D39.6Very low42.2Very low159 Ų159125.7 Ų125.785%0.8569%0.687SS**G310 helixtrans-92.84.5-172.3-71.7-31.5000115.6P623P623-D625 PolarHBondContact O-N 3.36Å; P623-D625 VanDerWaalsContact O-N 3.08Å
626T42.4Very low41.1Very low92 Ų92123.1 Ų123.156%0.56468%0.679SS**G310 helixtrans-11419.4176.953.70000114.7D628T626-D628 PolarHBondContact O-N 3.14Å; T626-D628 VanDerWaalsContact O-N 3.14Å
627R38.6Very low41.1Very low221 Ų221120.6 Ų120.683%0.83467%0.669SS**THydrogen-bonded Turntrans-65.9-11.8177.1-100.6-178.8172.7155.60.6115.4
628D34.5Very low41.9Very low154 Ų154122.2 Ų122.282%0.82467%0.674SS**THydrogen-bonded Turntrans-124.750.7-176.5-70.6-28.7000113.6T626T626-D628 PolarHBondContact O-N 3.14Å; T626-D628 VanDerWaalsContact O-N 3.14Å
629N37Very low43.1Very low155 Ų155123.1 Ų123.183%0.82968%0.678SS**SBendtrans169.689.6145.5-103.5-23.8000111.8
630S31.3Very low44.6Very low92 Ų92121.5 Ų121.564%0.64366%0.663SS**  trans163.665.6142.758.10000112.3S632S630-S632 PolarHBondContact O-N 3.16Å
631M34.5Very low46Very low204 Ų204121.8 Ų121.8100%1.00566%0.662SS**SBendtrans-76.352161.7-78.7-1638100111.7
632S33.6Very low47.6Very low110 Ų110118.2 Ų118.277%0.76965%0.648SS**  trans-163.470.7165.774.80000112.5S630S630-S632 PolarHBondContact O-N 3.16Å
633S29.8Very low49.4Very low81 Ų81112 Ų11257%0.56662%0.616SS**  trans-166.692.9153.853.70000109.5D635S633-D635 PolarHBondContact O-N 2.88Å
634T31.8Very low51.4Low153 Ų153109 Ų10994%0.93960%0.597SS**  trans-70.367.1156.3360000109
635D36.9Very low53.4Low140 Ų140105.9 Ų105.975%0.74958%0.583SS**  trans-109.2123.9164.5-88.7-28.4000107.1S633S633-D635 PolarHBondContact O-N 2.88Å
636S46.8Very low55.5Low77 Ų77103.4 Ų103.454%0.53857%0.566SS.*PPolyproline II helixtrans-55.1134.5169.249.60000109.3E638S636-E638 PolarHBondContact O-N 3.24Å; S636-E638 VanDerWaalsContact O-N 3.11Å
637P58.3Low57.4Low49 Ų4999.1 Ų99.132%0.31854%0.54SS..PPolyproline II helixtrans-58.8120.8178.922.1-31000110.1I639 Y662P637-I639 PolarHBondContact O-N 2.84Å; P637-Y662 HydrophobicContact CG-CD2 4.05Å; P637-Y662 HydrophobicContact CG-CE2 3.85Å
638E66.1Low59.6Low182 Ų18290 Ų9085%0.8551%0.512SS*.PPolyproline II helixtrans-59.8118.6174.2-119-179.3176.600108.8S636 D640 N666S636-E638 PolarHBondContact O-N 3.24Å; S636-E638 VanDerWaalsContact O-N 3.11Å; E638-D640 PolarHBondContact O-N 2.88Å; E638-N666 PolarHBondContact O-ND2 2.9Å
639I75.6Confident62.1Low45 Ų4590.3 Ų90.323%0.23151%0.508CS..PPolyproline II helixtrans-68.3126.2-174.4-59.6175.6000109.6P637 E641 V644 R658 V661 Y662P637-I639 PolarHBondContact O-N 2.84Å; I639-E641 PolarHBondContact O-N 2.9Å; I639-V644 HydrophobicContact CG2-CG2 3.72Å; I639-R658 HydrophobicContact CD1-CB 4.39Å; I639-R658 HydrophobicContact CG2-CG 4.46Å; I639-V661 HydrophobicContact CG2-CB 4.2Å; I639-V661 HydrophobicContact CG2-CG1 3.81Å; I639-Y662 HydrophobicContact CG1-CD2 4.39Å
640D79.3Confident64.2Low79 Ų7988.5 Ų88.542%0.42250%0.496SS..  trans-7193.2174.6-179.97.7000111.3E638 G642 A643 V644 V661 N666E638-D640 PolarHBondContact O-N 2.88Å; D640-G642 PolarHBondContact O-N 3.2Å; D640-G642 VanDerWaalsContact O-N 3.16Å; D640-G642 WeakPolarHBondContact OD1-CA 3.43Å; D640-G642 PolarHBondContact OD1-N 2.67Å; D640-A643 HydrophobicContact CB-CB 4.26Å; D640-A643 PolarHBondContact O-N 3.12Å; D640-A643 VanDerWaalsContact O-N 3.12Å; D640-A643 PolarHBondContact OD1-N 2.9Å; D640-V644 WeakPolarHBondContact O-CG2 3.48Å; D640-V644 PolarHBondContact O-N 3.11Å; D640-V644 VanDerWaalsContact O-N 3.12Å; D640-V661 HydrophobicContact CB-CG1 4.27Å; D640-N666 PolarHBondContact N-OD1 2.94Å
641E80.1Confident66.5Low84 Ų8487.2 Ų87.239%0.39350%0.497SS..Hα-helixtrans-59.8-22.4178.3-72-72.4-173.100113.1I639 M645 R658I639-E641 PolarHBondContact O-N 2.9Å; E641-M645 WeakPolarHBondContact O-CB 3.48Å; E641-M645 WeakPolarHBondContact O-CG 3.1Å; E641-M645 PolarHBondContact O-N 3.47Å; E641-R658 IonicContact OE1-CZ 2.75Å; E641-R658 IonicContact OE1-NE 3.47Å; E641-R658 PolarHBondContact OE1-NE 3.05Å; E641-R658 IonicContact OE1-NH2 3.66Å; E641-R658 PolarHBondContact OE1-NH2 2.88Å; E641-R658 IonicContact OE2-NE 3.76Å; E641-R658 IonicContact OE2-NH2 3.75Å
642G80.3Confident68.9Low35 Ų3579.1 Ų79.136%0.36146%0.457SS..Hα-helixtrans-69-42.1174.500000112.5D640 Q646D640-G642 PolarHBondContact O-N 3.2Å; D640-G642 VanDerWaalsContact O-N 3.16Å; D640-G642 WeakPolarHBondContact OD1-CA 3.43Å; D640-G642 PolarHBondContact OD1-N 2.67Å; G642-Q646 WeakPolarHBondContact O-CG 3.32Å; G642-Q646 PolarHBondContact O-N 3.26Å
643A79.9Confident71.4Confident3 Ų376.6 Ų76.63%0.02544%0.438CS..Hα-helixtrans-69.3-38.1173.300000111.8D640 Q646 L647 V661 P669D640-A643 HydrophobicContact CB-CB 4.26Å; D640-A643 PolarHBondContact O-N 3.12Å; D640-A643 VanDerWaalsContact O-N 3.12Å; D640-A643 PolarHBondContact OD1-N 2.9Å; A643-Q646 PolarHBondContact O-N 3.27Å; A643-L647 WeakPolarHBondContact O-CG 3.45Å; A643-L647 PolarHBondContact O-N 3.38Å; A643-L647 VanDerWaalsContact O-N 3.16Å; A643-V661 HydrophobicContact CB-CG2 4.08Å; A643-P669 HydrophobicContact CB-CB 4.29Å
644V82.1Confident73.9Confident0 Ų076.3 Ų76.30%043%0.429CS..Hα-helixtrans-59.7-47.5174.7173.50000111I639 D640 Q646 L647 A648 L654 C657 R658 V661I639-V644 HydrophobicContact CG2-CG2 3.72Å; D640-V644 WeakPolarHBondContact O-CG2 3.48Å; D640-V644 PolarHBondContact O-N 3.11Å; D640-V644 VanDerWaalsContact O-N 3.12Å; V644-Q646 PolarHBondContact O-N 2.95Å; V644-L647 PolarHBondContact O-N 3.39Å; V644-A648 WeakPolarHBondContact O-CB 3.34Å; V644-A648 PolarHBondContact O-N 3.31Å; V644-L654 HydrophobicContact CG1-CG 4.26Å; V644-C657 HydrophobicContact CB-CB 4.41Å; V644-C657 HydrophobicContact CG1-CB 3.85Å; V644-R658 HydrophobicContact CG1-CG 3.79Å; V644-R658 HydrophobicContact CG2-CG 3.94Å; V644-V661 HydrophobicContact CG2-CB 4.19Å; V644-V661 HydrophobicContact CG2-CG2 3.89Å
645M82.5Confident76.3Confident109 Ų10971.5 Ų71.554%0.53740%0.396SS..Hα-helixtrans-62.4-41.5178.6-81.2-179.439.500112.7E641 L647 A648 E649E641-M645 WeakPolarHBondContact O-CB 3.48Å; E641-M645 WeakPolarHBondContact O-CG 3.1Å; E641-M645 PolarHBondContact O-N 3.47Å; M645-L647 VanDerWaalsContact C-N 3.32Å; M645-L647 PolarHBondContact O-N 3.41Å; M645-A648 PolarHBondContact O-N 3.42Å; M645-E649 WeakPolarHBondContact O-CG 3.44Å; M645-E649 PolarHBondContact O-N 3.3Å
646Q84.8Confident78.3Confident106 Ų10664.8 Ų64.850%0.49536%0.36SS..Hα-helixtrans-61.2-41.5177.1-73.2175.618.500112G642 A643 V644 E649 M650G642-Q646 WeakPolarHBondContact O-CG 3.32Å; G642-Q646 PolarHBondContact O-N 3.26Å; A643-Q646 PolarHBondContact O-N 3.27Å; V644-Q646 PolarHBondContact O-N 2.95Å; Q646-E649 PolarHBondContact O-N 3.08Å; Q646-M650 WeakPolarHBondContact O-CG 3.34Å; Q646-M650 PolarHBondContact O-N 3.2Å
647L82.7Confident80Confident2 Ų261.1 Ų61.11%0.0134%0.335CS..Hα-helixtrans-70.5-35.9176.7-65166.6000111.8A643 V644 M645 M650 F652 C657 V661 A672 F673 I676A643-L647 WeakPolarHBondContact O-CG 3.45Å; A643-L647 PolarHBondContact O-N 3.38Å; A643-L647 VanDerWaalsContact O-N 3.16Å; V644-L647 PolarHBondContact O-N 3.39Å; M645-L647 VanDerWaalsContact C-N 3.32Å; M645-L647 PolarHBondContact O-N 3.41Å; L647-M650 HydrophobicContact CD2-SD 4.28Å; L647-M650 WeakPolarHBondContact O-CB 3.23Å; L647-M650 PolarHBondContact O-N 3.02Å; L647-F652 WeakPolarHBondContact O-CD2 3.5Å; L647-F652 PolarHBondContact O-N 2.82Å; L647-C657 HydrophobicContact CB-CB 4Å; L647-C657 WeakPolarHBondContact CB-SG 3.38Å; L647-C657 HydrophobicContact CD1-CB 4.45Å; L647-V661 HydrophobicContact CD1-CG2 4.2Å; L647-A672 HydrophobicContact CD1-CB 3.56Å; L647-F673 HydrophobicContact CD2-CB 3.81Å; L647-F673 HydrophobicContact CD2-CD2 4.18Å; L647-I676 HydrophobicContact CB-CD1 4.2Å; L647-I676 HydrophobicContact CD1-CD1 3.96Å; L647-I676 HydrophobicContact CD2-CD1 4.23Å; L647-I676 HydrophobicContact CG-CD1 4.36Å
648A84.3Confident81.2Confident29 Ų2962 Ų6224%0.2433%0.332CS..Hα-helixtrans-66-37.3174.400000112.3V644 M645 M650 G651 L654V644-A648 WeakPolarHBondContact O-CB 3.34Å; V644-A648 PolarHBondContact O-N 3.31Å; M645-A648 PolarHBondContact O-N 3.42Å; A648-M650 PolarHBondContact O-N 3.39Å; A648-G651 WeakPolarHBondContact O-CA 3.39Å; A648-G651 PolarHBondContact O-N 3.06Å; A648-L654 HydrophobicContact CB-CD1 4.07Å
649E86.3Confident82Confident162 Ų16254.5 Ų54.576%0.75730%0.296SS*.Hα-helixtrans-63.7-26.7173.6-76.4-177.8178.400112.8M645 Q646 G651M645-E649 WeakPolarHBondContact O-CG 3.44Å; M645-E649 PolarHBondContact O-N 3.3Å; Q646-E649 PolarHBondContact O-N 3.08Å; E649-G651 PolarHBondContact O-N 3.32Å
650M82.2Confident82.2Confident117 Ų11752.4 Ų52.458%0.57629%0.285SS*.THydrogen-bonded Turntrans-74.4-5.7172.3-63.1174.471.600113.3Q646 L647 A648 F652 F673Q646-M650 WeakPolarHBondContact O-CG 3.34Å; Q646-M650 PolarHBondContact O-N 3.2Å; L647-M650 HydrophobicContact CD2-SD 4.28Å; L647-M650 WeakPolarHBondContact O-CB 3.23Å; L647-M650 PolarHBondContact O-N 3.02Å; A648-M650 PolarHBondContact O-N 3.39Å; M650-F652 HydrophobicContact CB-CD2 4.09Å; M650-F652 HydrophobicContact CB-CE2 4.01Å; M650-F652 HydrophobicContact CE-CE2 4.49Å; M650-F673 HydrophobicContact CE-CD2 3.62Å; M650-F673 HydrophobicContact CE-CE2 3.36Å; M650-F673 HydrophobicContact CE-CZ 4.27Å; M650-F673 HydrophobicContact SD-CD2 4.19Å; M650-F673 HydrophobicContact SD-CE2 4.46Å
651G79.6Confident82.3Confident64 Ų6448.8 Ų48.866%0.6627%0.266SS*.THydrogen-bonded Turntrans100.59.7174.900000115.3A648 E649A648-G651 WeakPolarHBondContact O-CA 3.39Å; A648-G651 PolarHBondContact O-N 3.06Å; E649-G651 PolarHBondContact O-N 3.32Å
652F83.9Confident82.5Confident35 Ų3546.2 Ų46.215%0.15425%0.253CS..  trans-83149.6175.9-60.2-66.3000112.2L647 M650 L654 F673 I676 I677L647-F652 WeakPolarHBondContact O-CD2 3.5Å; L647-F652 PolarHBondContact O-N 2.82Å; M650-F652 HydrophobicContact CB-CD2 4.09Å; M650-F652 HydrophobicContact CB-CE2 4.01Å; M650-F652 HydrophobicContact CE-CE2 4.49Å; F652-L654 PolarHBondContact O-N 2.93Å; F652-F673 AromaticContact CE2-CD2 3.68Å; F652-F673 HydrophobicContact CE2-CD2 3.68Å; F652-F673 AromaticContact CE2-CE2 3.52Å; F652-F673 HydrophobicContact CE2-CE2 3.52Å; F652-F673 HydrophobicContact CZ-CD2 4.11Å; F652-F673 AromaticContact CZ-CE2 3.61Å; F652-F673 HydrophobicContact CZ-CE2 3.61Å; F652-F673 HydrophobicContact CZ-CZ 4.5Å; F652-I676 HydrophobicContact CB-CD1 4.37Å; F652-I676 HydrophobicContact CD1-CG2 3.55Å; F652-I676 HydrophobicContact CD2-CD1 4.18Å; F652-I676 HydrophobicContact CD2-CG2 4.22Å; F652-I676 HydrophobicContact CE1-CG2 3.56Å; F652-I676 HydrophobicContact CE2-CG2 4.25Å; F652-I676 HydrophobicContact CG-CD1 4.26Å; F652-I676 HydrophobicContact CG-CG2 3.9Å; F652-I676 HydrophobicContact CZ-CG2 3.93Å; F652-I677 HydrophobicContact CE1-CD1 4.38Å; F652-I677 HydrophobicContact CZ-CD1 4.11Å
653P85.1Confident82.3Confident57 Ų5746.6 Ų46.637%0.3724%0.244SC..  trans-59.2134.9175-21.332.3000112.1E655 A656 C657 F685 A686P653-E655 VanDerWaalsContact C-N 3.33Å; P653-E655 PolarHBondContact O-N 2.73Å; P653-A656 HydrophobicContact CB-CB 4.11Å; P653-A656 HydrophobicContact CG-CB 4.48Å; P653-A656 WeakPolarHBondContact O-CB 3.22Å; P653-A656 PolarHBondContact O-N 2.79Å; P653-C657 PolarHBondContact O-N 3.13Å; P653-C657 VanDerWaalsContact O-N 3.07Å; P653-C657 PolarHBondContact O-SG 3.27Å; P653-C657 VanDerWaalsContact O-SG 3.34Å; P653-F685 HydrophobicContact CG-CE1 4.34Å; P653-A686 HydrophobicContact CB-CB 4.05Å; P653-A686 HydrophobicContact CG-CB 4.22Å
654L82.8Confident82.3Confident75 Ų7547.1 Ų47.139%0.39325%0.247SC..Hα-helixtrans-57.3-42.4-173-163.8107.8000113.3V644 A648 F652 A656 C657 R658V644-L654 HydrophobicContact CG1-CG 4.26Å; A648-L654 HydrophobicContact CB-CD1 4.07Å; F652-L654 PolarHBondContact O-N 2.93Å; L654-A656 VanDerWaalsContact C-N 3.32Å; L654-A656 PolarHBondContact O-N 3.07Å; L654-C657 WeakPolarHBondContact O-CB 3.39Å; L654-C657 PolarHBondContact O-N 3.18Å; L654-R658 PolarHBondContact O-N 2.97Å
655E82.1Confident82.1Confident51 Ų5148.3 Ų48.324%0.23826%0.259CS..Hα-helixtrans-67.9-33178.8-66.2-54.514100112.4P653 C657 R658 K659 P688P653-E655 VanDerWaalsContact C-N 3.33Å; P653-E655 PolarHBondContact O-N 2.73Å; E655-C657 VanDerWaalsContact C-N 3.33Å; E655-R658 WeakPolarHBondContact O-CB 3.05Å; E655-R658 PolarHBondContact O-N 2.86Å; E655-R658 IonicContact OE1-CZ 2.9Å; E655-R658 IonicContact OE1-NH1 3.81Å; E655-R658 PolarHBondContact OE1-NH1 2.78Å; E655-K659 VanDerWaalsContact O-CG 3.28Å; E655-K659 WeakPolarHBondContact O-CG 3.48Å; E655-K659 PolarHBondContact O-N 2.88Å; E655-P688 HydrophobicContact CG-CB 4.33Å
656A79.8Confident81.9Confident0 Ų045.9 Ų45.90%025%0.248CC..Hα-helixtrans-70-31.6174.500000112.5P653 L654 K659 A660 F685P653-A656 HydrophobicContact CB-CB 4.11Å; P653-A656 HydrophobicContact CG-CB 4.48Å; P653-A656 WeakPolarHBondContact O-CB 3.22Å; P653-A656 PolarHBondContact O-N 2.79Å; L654-A656 VanDerWaalsContact C-N 3.32Å; L654-A656 PolarHBondContact O-N 3.07Å; A656-K659 VanDerWaalsContact O-CA 3.28Å; A656-K659 WeakPolarHBondContact O-CA 3.39Å; A656-A660 PolarHBondContact O-N 2.8Å; A656-F685 VanDerWaalsContact CA-O 3.24Å; A656-F685 WeakPolarHBondContact CA-O 3.31Å; A656-F685 HydrophobicContact CB-CD1 3.79Å; A656-F685 HydrophobicContact CB-CD2 3.97Å; A656-F685 HydrophobicContact CB-CE1 3.43Å; A656-F685 VanDerWaalsContact CB-CE1 3.43Å; A656-F685 HydrophobicContact CB-CE2 3.64Å; A656-F685 HydrophobicContact CB-CG 4.03Å; A656-F685 HydrophobicContact CB-CZ 3.34Å; A656-F685 WeakPolarHBondContact CB-O 3.32Å
657C82.7Confident81.4Confident0 Ų046.6 Ų46.60%025%0.253CS..Hα-helixtrans-67.6-40.4171-60.20000111.3V644 L647 P653 L654 E655 A660 V661V644-C657 HydrophobicContact CB-CB 4.41Å; V644-C657 HydrophobicContact CG1-CB 3.85Å; L647-C657 HydrophobicContact CB-CB 4Å; L647-C657 WeakPolarHBondContact CB-SG 3.38Å; L647-C657 HydrophobicContact CD1-CB 4.45Å; P653-C657 PolarHBondContact O-N 3.13Å; P653-C657 VanDerWaalsContact O-N 3.07Å; P653-C657 PolarHBondContact O-SG 3.27Å; P653-C657 VanDerWaalsContact O-SG 3.34Å; L654-C657 WeakPolarHBondContact O-CB 3.39Å; L654-C657 PolarHBondContact O-N 3.18Å; E655-C657 VanDerWaalsContact C-N 3.33Å; C657-A660 PolarHBondContact O-N 2.73Å; C657-V661 WeakPolarHBondContact O-CG2 3.4Å; C657-V661 PolarHBondContact O-N 3.49Å
658R83.4Confident81.1Confident67 Ų6747.6 Ų47.625%0.25326%0.264SS..Hα-helixtrans-63.6-53.1174.4-70.3175.7167.5164.1-8.9112I639 E641 V644 L654 E655 A660 V661 Y662I639-R658 HydrophobicContact CD1-CB 4.39Å; I639-R658 HydrophobicContact CG2-CG 4.46Å; E641-R658 IonicContact OE1-CZ 2.75Å; E641-R658 IonicContact OE1-NE 3.47Å; E641-R658 PolarHBondContact OE1-NE 3.05Å; E641-R658 IonicContact OE1-NH2 3.66Å; E641-R658 PolarHBondContact OE1-NH2 2.88Å; E641-R658 IonicContact OE2-NE 3.76Å; E641-R658 IonicContact OE2-NH2 3.75Å; V644-R658 HydrophobicContact CG1-CG 3.79Å; V644-R658 HydrophobicContact CG2-CG 3.94Å; L654-R658 PolarHBondContact O-N 2.97Å; E655-R658 WeakPolarHBondContact O-CB 3.05Å; E655-R658 PolarHBondContact O-N 2.86Å; E655-R658 IonicContact OE1-CZ 2.9Å; E655-R658 IonicContact OE1-NH1 3.81Å; E655-R658 PolarHBondContact OE1-NH1 2.78Å; R658-A660 PolarHBondContact O-N 2.79Å; R658-V661 PolarHBondContact O-N 3.29Å; R658-Y662 VanDerWaalsContact O-CB 3.29Å; R658-Y662 WeakPolarHBondContact O-CB 3.44Å; R658-Y662 PolarHBondContact O-N 2.99Å
659K81.9Confident80.8Confident25 Ų2548.3 Ų48.311%0.10927%0.266CS..Hα-helixtrans3.7-91.5135.842.1160.8149.71520116.4E655 A656 V661 Y662 Y663 W675 D684 E687 L689E655-K659 VanDerWaalsContact O-CG 3.28Å; E655-K659 WeakPolarHBondContact O-CG 3.48Å; E655-K659 PolarHBondContact O-N 2.88Å; A656-K659 VanDerWaalsContact O-CA 3.28Å; A656-K659 WeakPolarHBondContact O-CA 3.39Å; K659-V661 PolarHBondContact O-N 2.67Å; K659-Y662 PolarHBondContact O-N 3.35Å; K659-Y663 HydrophobicContact CB-CD2 3.89Å; K659-Y663 HydrophobicContact CB-CE2 3.94Å; K659-Y663 VanDerWaalsContact O-CD2 3.27Å; K659-Y663 WeakPolarHBondContact O-CD2 3.48Å; K659-Y663 PolarHBondContact O-N 3.18Å; K659-W675 HydrophobicContact CB-CH2 4.02Å; K659-W675 HydrophobicContact CB-CZ3 4.28Å; K659-D684 PolarHBondContact NZ-O 3Å; K659-E687 WeakPolarHBondContact CE-O 3.35Å; K659-E687 PolarHBondContact NZ-O 3.02Å; K659-L689 HydrophobicContact CB-CD1 3.46Å; K659-L689 VanDerWaalsContact CB-CD1 3.46Å; K659-L689 HydrophobicContact CD-CD1 4.25Å; K659-L689 HydrophobicContact CG-CB 4.27Å; K659-L689 HydrophobicContact CG-CD1 3.63Å; K659-L689 HydrophobicContact CG-CG 4.47Å
660A79.8Confident80.5Confident0 Ų048.2 Ų48.20%027%0.266CS..Hα-helixtrans-64-41.9-170.600000112.8A656 C657 R658 Y662 T664 A672 W675 I676A656-A660 PolarHBondContact O-N 2.8Å; C657-A660 PolarHBondContact O-N 2.73Å; R658-A660 PolarHBondContact O-N 2.79Å; A660-Y662 VanDerWaalsContact C-N 3.32Å; A660-Y662 PolarHBondContact O-N 3.14Å; A660-T664 VanDerWaalsContact O-CB 3.27Å; A660-T664 WeakPolarHBondContact O-CB 3.43Å; A660-T664 WeakPolarHBondContact O-CG2 3.24Å; A660-T664 PolarHBondContact O-N 3.1Å; A660-T664 PolarHBondContact O-OG1 3.34Å; A660-A672 HydrophobicContact CB-CB 3.82Å; A660-A672 WeakPolarHBondContact CB-O 3.5Å; A660-W675 HydrophobicContact CB-CB 4.25Å; A660-W675 HydrophobicContact CB-CD2 4.05Å; A660-W675 HydrophobicContact CB-CE3 3.41Å; A660-W675 VanDerWaalsContact CB-CE3 3.41Å; A660-W675 HydrophobicContact CB-CG 4.42Å; A660-W675 HydrophobicContact CB-CZ3 4.09Å; A660-I676 HydrophobicContact CB-CD1 4.03Å; A660-I676 HydrophobicContact CB-CG1 3.53Å
661V82.9Confident80.3Confident3 Ų347.1 Ų47.12%0.01826%0.261CS..Hα-helixtrans-65.5-38.9179.9172.60000110.8I639 D640 A643 V644 L647 C657 R658 K659 T664 G665 N666 A672I639-V661 HydrophobicContact CG2-CB 4.2Å; I639-V661 HydrophobicContact CG2-CG1 3.81Å; D640-V661 HydrophobicContact CB-CG1 4.27Å; A643-V661 HydrophobicContact CB-CG2 4.08Å; V644-V661 HydrophobicContact CG2-CB 4.19Å; V644-V661 HydrophobicContact CG2-CG2 3.89Å; L647-V661 HydrophobicContact CD1-CG2 4.2Å; C657-V661 WeakPolarHBondContact O-CG2 3.4Å; C657-V661 PolarHBondContact O-N 3.49Å; R658-V661 PolarHBondContact O-N 3.29Å; K659-V661 PolarHBondContact O-N 2.67Å; V661-T664 PolarHBondContact O-OG1 3.08Å; V661-G665 PolarHBondContact O-N 2.86Å; V661-N666 WeakPolarHBondContact CG1-OD1 3.34Å; V661-N666 PolarHBondContact O-N 3.2Å; V661-A672 HydrophobicContact CG2-CB 3.83Å
662Y82.6Confident80.5Confident30 Ų3044.1 Ų44.112%0.11823%0.229CC..Hα-helixtrans-66-53.7175.8-178.2-98.6000112.7P637 I639 R658 K659 A660 T664 G665 L689 L691P637-Y662 HydrophobicContact CG-CD2 4.05Å; P637-Y662 HydrophobicContact CG-CE2 3.85Å; I639-Y662 HydrophobicContact CG1-CD2 4.39Å; R658-Y662 VanDerWaalsContact O-CB 3.29Å; R658-Y662 WeakPolarHBondContact O-CB 3.44Å; R658-Y662 PolarHBondContact O-N 2.99Å; K659-Y662 PolarHBondContact O-N 3.35Å; A660-Y662 VanDerWaalsContact C-N 3.32Å; A660-Y662 PolarHBondContact O-N 3.14Å; Y662-T664 VanDerWaalsContact C-N 3.29Å; Y662-T664 PolarHBondContact O-N 2.98Å; Y662-G665 PolarHBondContact O-N 3.42Å; Y662-G665 VanDerWaalsContact O-N 3.08Å; Y662-L689 HydrophobicContact CD1-CD1 3.72Å; Y662-L689 HydrophobicContact CD1-CD2 3.92Å; Y662-L689 HydrophobicContact CD1-CG 4.45Å; Y662-L689 HydrophobicContact CD2-CD2 4.23Å; Y662-L689 HydrophobicContact CE1-CD1 4.47Å; Y662-L689 HydrophobicContact CE1-CD2 4.06Å; Y662-L689 HydrophobicContact CE2-CD2 4.38Å; Y662-L689 HydrophobicContact CG-CD1 3.96Å; Y662-L689 HydrophobicContact CG-CD2 3.99Å; Y662-L691 HydrophobicContact CD2-CD2 4.02Å; Y662-L691 HydrophobicContact CE1-CD2 4.33Å; Y662-L691 HydrophobicContact CE2-CD2 3.3Å; Y662-L691 VanDerWaalsContact CZ-CD2 3.48Å
663Y77.4Confident80.3Confident44 Ų4445.5 Ų45.517%0.17324%0.235CC..Hα-helixtrans-71.1-22.2-177-75.8-66.5000114.1P618 K659 G665 W675 L689P618-Y663 HydrophobicContact CB-CD1 4.18Å; P618-Y663 HydrophobicContact CB-CE1 4.37Å; P618-Y663 HydrophobicContact CG-CD1 4.16Å; P618-Y663 HydrophobicContact CG-CE1 4.03Å; K659-Y663 HydrophobicContact CB-CD2 3.89Å; K659-Y663 HydrophobicContact CB-CE2 3.94Å; K659-Y663 VanDerWaalsContact O-CD2 3.27Å; K659-Y663 WeakPolarHBondContact O-CD2 3.48Å; K659-Y663 PolarHBondContact O-N 3.18Å; Y663-G665 VanDerWaalsContact C-N 3.33Å; Y663-W675 AromaticContact CD2-CH2 3.9Å; Y663-W675 HydrophobicContact CD2-CH2 3.9Å; Y663-W675 AromaticContact CD2-CZ2 3.44Å; Y663-W675 HydrophobicContact CD2-CZ2 3.44Å; Y663-W675 VanDerWaalsContact CD2-CZ2 3.44Å; Y663-W675 HydrophobicContact CE2-CH2 4.46Å; Y663-W675 HydrophobicContact CE2-CZ2 4.18Å; Y663-W675 AromaticContact CG-CZ2 3.94Å; Y663-W675 HydrophobicContact CG-CZ2 3.94Å; Y663-L689 HydrophobicContact CD2-CD1 4.49Å; Y663-L689 HydrophobicContact CE2-CD1 4Å
664T79.7Confident80.2Confident13 Ų1347.3 Ų47.38%0.0824%0.242CC..THydrogen-bonded Turntrans-87.8-0.3172.360.50000113.4A660 V661 Y662 M667 M671 W675A660-T664 VanDerWaalsContact O-CB 3.27Å; A660-T664 WeakPolarHBondContact O-CB 3.43Å; A660-T664 WeakPolarHBondContact O-CG2 3.24Å; A660-T664 PolarHBondContact O-N 3.1Å; A660-T664 PolarHBondContact O-OG1 3.34Å; V661-T664 PolarHBondContact O-OG1 3.08Å; Y662-T664 VanDerWaalsContact C-N 3.29Å; Y662-T664 PolarHBondContact O-N 2.98Å; T664-M667 WeakPolarHBondContact O-CB 3.44Å; T664-M667 WeakPolarHBondContact O-CG 3.28Å; T664-M671 HydrophobicContact CG2-CB 4.48Å; T664-W675 HydrophobicContact CG2-CB 3.65Å; T664-W675 HydrophobicContact CG2-CG 3.98Å
665G77.1Confident80.1Confident26 Ų2645 Ų4527%0.26823%0.228SC..THydrogen-bonded Turntrans65.437.9176.700000114V661 Y662 Y663 M667V661-G665 PolarHBondContact O-N 2.86Å; Y662-G665 PolarHBondContact O-N 3.42Å; Y662-G665 VanDerWaalsContact O-N 3.08Å; Y663-G665 VanDerWaalsContact C-N 3.33Å; G665-M667 VanDerWaalsContact C-N 3.28Å; G665-M667 PolarHBondContact O-N 2.78Å
666N78.6Confident80Confident57 Ų5742.6 Ų42.631%0.30522%0.217SC..THydrogen-bonded Turntrans58.529.4-178.8-60.1-31.9000115.3E638 D640 V661 G668E638-N666 PolarHBondContact O-ND2 2.9Å; D640-N666 PolarHBondContact N-OD1 2.94Å; V661-N666 WeakPolarHBondContact CG1-OD1 3.34Å; V661-N666 PolarHBondContact O-N 3.2Å; N666-G668 PolarHBondContact O-N 2.79Å
667M73.8Confident80Confident121 Ų12146.5 Ų46.560%0.59624%0.236SC*.  trans-76.220.1-178.5-67-70.4-72.600114.5T664 G665 M671T664-M667 WeakPolarHBondContact O-CB 3.44Å; T664-M667 WeakPolarHBondContact O-CG 3.28Å; G665-M667 VanDerWaalsContact C-N 3.28Å; G665-M667 PolarHBondContact O-N 2.78Å; M667-M671 HydrophobicContact CB-CB 4.28Å; M667-M671 HydrophobicContact CB-CG 4.28Å
668G77.8Confident79.6Confident23 Ų2349.5 Ų49.524%0.23726%0.261CS..  trans96.7164.3177.700000115.3N666 E670 M671 A672N666-G668 PolarHBondContact O-N 2.79Å; G668-E670 VanDerWaalsContact C-N 3.3Å; G668-E670 PolarHBondContact O-N 3.08Å; G668-M671 PolarHBondContact O-N 2.67Å; G668-A672 PolarHBondContact O-N 3.49Å
669P77.1Confident79.1Confident44 Ų4447 Ų4729%0.28625%0.252SS..Hα-helixtrans-66.2-27.6-172.526.3-35000113.4A643 F673A643-P669 HydrophobicContact CB-CB 4.29Å; P669-F673 VanDerWaalsContact O-CB 3.3Å; P669-F673 WeakPolarHBondContact O-CB 3.35Å; P669-F673 PolarHBondContact O-N 3.18Å
670E80.8Confident78.9Confident160 Ų16050 Ų5075%0.74827%0.268SS*.Hα-helixtrans-69.2-39.6178.6-64.6-176.9176.100112.5G668 F673 N674G668-E670 VanDerWaalsContact C-N 3.3Å; G668-E670 PolarHBondContact O-N 3.08Å; E670-F673 PolarHBondContact O-N 3.5Å; E670-N674 PolarHBondContact O-N 2.74Å; E670-N674 VanDerWaalsContact O-N 3.1Å; E670-N674 PolarHBondContact O-ND2 3.37Å
671M78.4Confident78.4Confident95 Ų9557 Ų5747%0.46830%0.301SS..Hα-helixtrans-71.1-41176.9-78.7-53.3-4200111.7T664 M667 G668 F673 N674 W675T664-M671 HydrophobicContact CG2-CB 4.48Å; M667-M671 HydrophobicContact CB-CB 4.28Å; M667-M671 HydrophobicContact CB-CG 4.28Å; G668-M671 PolarHBondContact O-N 2.67Å; M671-F673 VanDerWaalsContact C-N 3.34Å; M671-N674 PolarHBondContact O-N 2.88Å; M671-W675 PolarHBondContact O-N 2.82Å
672A81.9Confident77.9Confident0 Ų058.8 Ų58.80%031%0.309CS..Hα-helixtrans-63.8-37.6172.800000111.8L647 A660 V661 G668 W675 I676L647-A672 HydrophobicContact CD1-CB 3.56Å; A660-A672 HydrophobicContact CB-CB 3.82Å; A660-A672 WeakPolarHBondContact CB-O 3.5Å; V661-A672 HydrophobicContact CG2-CB 3.83Å; G668-A672 PolarHBondContact O-N 3.49Å; A672-W675 PolarHBondContact O-N 2.94Å; A672-I676 WeakPolarHBondContact O-CG1 3.2Å; A672-I676 PolarHBondContact O-N 2.96Å
673F80.7Confident77Confident65 Ų6561.2 Ų61.229%0.28533%0.328SS..Hα-helixtrans-60.2-46.9172.4179.9-93.5000112L647 M650 F652 P669 E670 M671 W675 I676 I677L647-F673 HydrophobicContact CD2-CB 3.81Å; L647-F673 HydrophobicContact CD2-CD2 4.18Å; M650-F673 HydrophobicContact CE-CD2 3.62Å; M650-F673 HydrophobicContact CE-CE2 3.36Å; M650-F673 HydrophobicContact CE-CZ 4.27Å; M650-F673 HydrophobicContact SD-CD2 4.19Å; M650-F673 HydrophobicContact SD-CE2 4.46Å; F652-F673 AromaticContact CE2-CD2 3.68Å; F652-F673 HydrophobicContact CE2-CD2 3.68Å; F652-F673 AromaticContact CE2-CE2 3.52Å; F652-F673 HydrophobicContact CE2-CE2 3.52Å; F652-F673 HydrophobicContact CZ-CD2 4.11Å; F652-F673 AromaticContact CZ-CE2 3.61Å; F652-F673 HydrophobicContact CZ-CE2 3.61Å; F652-F673 HydrophobicContact CZ-CZ 4.5Å; P669-F673 VanDerWaalsContact O-CB 3.3Å; P669-F673 WeakPolarHBondContact O-CB 3.35Å; P669-F673 PolarHBondContact O-N 3.18Å; E670-F673 PolarHBondContact O-N 3.5Å; M671-F673 VanDerWaalsContact C-N 3.34Å; F673-W675 VanDerWaalsContact C-N 3.28Å; F673-W675 PolarHBondContact O-N 3.07Å; F673-I676 WeakPolarHBondContact O-CB 3.49Å; F673-I676 PolarHBondContact O-N 3.22Å; F673-I677 HydrophobicContact CD1-CG1 4.15Å; F673-I677 HydrophobicContact CE1-CD1 4.32Å; F673-I677 HydrophobicContact CE1-CG1 3.7Å; F673-I677 HydrophobicContact CE2-CD1 4.32Å; F673-I677 HydrophobicContact CE2-CG1 4.34Å; F673-I677 HydrophobicContact CZ-CD1 3.92Å; F673-I677 HydrophobicContact CZ-CG1 3.81Å; F673-I677 WeakPolarHBondContact O-CG1 3.46Å; F673-I677 PolarHBondContact O-N 3.23Å
674N82.1Confident76.5Confident94 Ų9462.9 Ų62.950%0.50334%0.34SS..Hα-helixtrans-62.2-36.8177-71.5-29.6000112.2E670 M671 A678E670-N674 PolarHBondContact O-N 2.74Å; E670-N674 VanDerWaalsContact O-N 3.1Å; E670-N674 PolarHBondContact O-ND2 3.37Å; M671-N674 PolarHBondContact O-N 2.88Å; N674-A678 WeakPolarHBondContact O-CB 2.85Å; N674-A678 PolarHBondContact O-N 3.1Å; N674-A678 VanDerWaalsContact O-N 3.14Å
675W81.4Confident76Confident28 Ų2863 Ų6311%0.10634%0.34CS..Hα-helixtrans-65.3-44.6173.7-170.498.2000111.5K659 A660 Y663 T664 M671 A672 F673 I677 A678 H679 F685K659-W675 HydrophobicContact CB-CH2 4.02Å; K659-W675 HydrophobicContact CB-CZ3 4.28Å; A660-W675 HydrophobicContact CB-CB 4.25Å; A660-W675 HydrophobicContact CB-CD2 4.05Å; A660-W675 HydrophobicContact CB-CE3 3.41Å; A660-W675 VanDerWaalsContact CB-CE3 3.41Å; A660-W675 HydrophobicContact CB-CG 4.42Å; A660-W675 HydrophobicContact CB-CZ3 4.09Å; Y663-W675 AromaticContact CD2-CH2 3.9Å; Y663-W675 HydrophobicContact CD2-CH2 3.9Å; Y663-W675 AromaticContact CD2-CZ2 3.44Å; Y663-W675 HydrophobicContact CD2-CZ2 3.44Å; Y663-W675 VanDerWaalsContact CD2-CZ2 3.44Å; Y663-W675 HydrophobicContact CE2-CH2 4.46Å; Y663-W675 HydrophobicContact CE2-CZ2 4.18Å; Y663-W675 AromaticContact CG-CZ2 3.94Å; Y663-W675 HydrophobicContact CG-CZ2 3.94Å; T664-W675 HydrophobicContact CG2-CB 3.65Å; T664-W675 HydrophobicContact CG2-CG 3.98Å; M671-W675 PolarHBondContact O-N 2.82Å; A672-W675 PolarHBondContact O-N 2.94Å; F673-W675 VanDerWaalsContact C-N 3.28Å; F673-W675 PolarHBondContact O-N 3.07Å; W675-I677 PolarHBondContact O-N 2.93Å; W675-A678 PolarHBondContact O-N 2.86Å; W675-A678 VanDerWaalsContact O-N 3.15Å; W675-H679 AromaticContact CD1-CE1 3.59Å; W675-H679 AromaticContact CD1-ND1 3.81Å; W675-H679 HydrophobicContact CD2-CB 4.36Å; W675-H679 AromaticContact CD2-CG 3.97Å; W675-H679 AromaticContact CD2-ND1 3.56Å; W675-H679 AromaticContact CE2-CD2 3.92Å; W675-H679 AromaticContact CE2-CE1 3.68Å; W675-H679 AromaticContact CE2-CG 3.72Å; W675-H679 AromaticContact CE2-ND1 3.54Å; W675-H679 AromaticContact CE2-NE2 3.91Å; W675-H679 HydrophobicContact CE3-CB 4.08Å; W675-H679 AromaticContact CG-ND1 3.76Å; W675-H679 HydrophobicContact CH2-CB 3.9Å; W675-H679 HydrophobicContact CZ2-CB 4.17Å; W675-H679 AromaticContact CZ2-CD2 3.77Å; W675-H679 AromaticContact CZ2-CG 3.76Å; W675-H679 HydrophobicContact CZ3-CB 3.86Å; W675-H679 AromaticContact NE1-CE1 3.36Å; W675-H679 PolarHBondContact NE1-CE1 3.49Å; W675-H679 AromaticContact NE1-ND1 3.67Å; W675-H679 AromaticContact NE1-NE2 3.69Å; W675-H679 PolarHBondContact O-N 2.77Å; W675-H679 PolarHBondContact O-ND1 3.39Å; W675-F685 HydrophobicContact CZ3-CD2 4.44Å; W675-F685 HydrophobicContact CZ3-CE2 4.32Å
676I80.6Confident75.3Confident0 Ų064.5 Ų64.50%035%0.349CS..Hα-helixtrans-56.3-51.1175.6-76.3171.7000110.5L647 F652 A660 A672 F673 A678 H679 M680 F685L647-I676 HydrophobicContact CB-CD1 4.2Å; L647-I676 HydrophobicContact CD1-CD1 3.96Å; L647-I676 HydrophobicContact CD2-CD1 4.23Å; L647-I676 HydrophobicContact CG-CD1 4.36Å; F652-I676 HydrophobicContact CB-CD1 4.37Å; F652-I676 HydrophobicContact CD1-CG2 3.55Å; F652-I676 HydrophobicContact CD2-CD1 4.18Å; F652-I676 HydrophobicContact CD2-CG2 4.22Å; F652-I676 HydrophobicContact CE1-CG2 3.56Å; F652-I676 HydrophobicContact CE2-CG2 4.25Å; F652-I676 HydrophobicContact CG-CD1 4.26Å; F652-I676 HydrophobicContact CG-CG2 3.9Å; F652-I676 HydrophobicContact CZ-CG2 3.93Å; A660-I676 HydrophobicContact CB-CD1 4.03Å; A660-I676 HydrophobicContact CB-CG1 3.53Å; A672-I676 WeakPolarHBondContact O-CG1 3.2Å; A672-I676 PolarHBondContact O-N 2.96Å; F673-I676 WeakPolarHBondContact O-CB 3.49Å; F673-I676 PolarHBondContact O-N 3.22Å; I676-A678 PolarHBondContact O-N 2.82Å; I676-H679 CarbonylContact O-C 3.5Å; I676-H679 PolarHBondContact O-N 3.1Å; I676-H679 VanDerWaalsContact O-N 3.11Å; I676-M680 WeakPolarHBondContact O-CA 3.46Å; I676-M680 WeakPolarHBondContact O-CB 3.31Å; I676-M680 PolarHBondContact O-N 3.3Å; I676-F685 HydrophobicContact CB-CE2 4.36Å; I676-F685 HydrophobicContact CB-CZ 4.3Å; I676-F685 HydrophobicContact CG1-CE2 4.28Å; I676-F685 HydrophobicContact CG1-CZ 4.27Å; I676-F685 HydrophobicContact CG2-CE2 4.17Å; I676-F685 HydrophobicContact CG2-CZ 3.66Å
677I79.3Confident74.9Confident81 Ų8167 Ų6742%0.41536%0.359SS..Hα-helixtrans-60.9-34.8-179.3-64.2-60.5000111.4F652 F673 W675 M680F652-I677 HydrophobicContact CE1-CD1 4.38Å; F652-I677 HydrophobicContact CZ-CD1 4.11Å; F673-I677 HydrophobicContact CD1-CG1 4.15Å; F673-I677 HydrophobicContact CE1-CD1 4.32Å; F673-I677 HydrophobicContact CE1-CG1 3.7Å; F673-I677 HydrophobicContact CE2-CD1 4.32Å; F673-I677 HydrophobicContact CE2-CG1 4.34Å; F673-I677 HydrophobicContact CZ-CD1 3.92Å; F673-I677 HydrophobicContact CZ-CG1 3.81Å; F673-I677 WeakPolarHBondContact O-CG1 3.46Å; F673-I677 PolarHBondContact O-N 3.23Å; W675-I677 PolarHBondContact O-N 2.93Å; I677-M680 HydrophobicContact CD1-SD 4.09Å
678A73.9Confident74.7Confident63 Ų6365.3 Ų65.352%0.52136%0.357SS..Hα-helixtrans-74.5-27.6177.300000114N674 W675 I676N674-A678 WeakPolarHBondContact O-CB 2.85Å; N674-A678 PolarHBondContact O-N 3.1Å; N674-A678 VanDerWaalsContact O-N 3.14Å; W675-A678 PolarHBondContact O-N 2.86Å; W675-A678 VanDerWaalsContact O-N 3.15Å; I676-A678 PolarHBondContact O-N 2.82Å
679H73.9Confident74.1Confident14 Ų1465.7 Ų65.77%0.06535%0.354CS..Hα-helixtrans-115.64.1-173-58.374.3000113.2Q550 W675 I676 E681 E682 F685Q550-H679 PolarHBondContact NE2-NE2 3.45Å; W675-H679 AromaticContact CD1-CE1 3.59Å; W675-H679 AromaticContact CD1-ND1 3.81Å; W675-H679 HydrophobicContact CD2-CB 4.36Å; W675-H679 AromaticContact CD2-CG 3.97Å; W675-H679 AromaticContact CD2-ND1 3.56Å; W675-H679 AromaticContact CE2-CD2 3.92Å; W675-H679 AromaticContact CE2-CE1 3.68Å; W675-H679 AromaticContact CE2-CG 3.72Å; W675-H679 AromaticContact CE2-ND1 3.54Å; W675-H679 AromaticContact CE2-NE2 3.91Å; W675-H679 HydrophobicContact CE3-CB 4.08Å; W675-H679 AromaticContact CG-ND1 3.76Å; W675-H679 HydrophobicContact CH2-CB 3.9Å; W675-H679 HydrophobicContact CZ2-CB 4.17Å; W675-H679 AromaticContact CZ2-CD2 3.77Å; W675-H679 AromaticContact CZ2-CG 3.76Å; W675-H679 HydrophobicContact CZ3-CB 3.86Å; W675-H679 AromaticContact NE1-CE1 3.36Å; W675-H679 PolarHBondContact NE1-CE1 3.49Å; W675-H679 AromaticContact NE1-ND1 3.67Å; W675-H679 AromaticContact NE1-NE2 3.69Å; W675-H679 PolarHBondContact O-N 2.77Å; W675-H679 PolarHBondContact O-ND1 3.39Å; I676-H679 CarbonylContact O-C 3.5Å; I676-H679 PolarHBondContact O-N 3.1Å; I676-H679 VanDerWaalsContact O-N 3.11Å; H679-E681 PolarHBondContact O-N 3.24Å; H679-E681 VanDerWaalsContact O-N 3.16Å; H679-E682 HydrophobicContact CB-CG 3.99Å; H679-E682 IonicContact CD2-OE1 2.73Å; H679-E682 PolarHBondContact CD2-OE1 3.25Å; H679-E682 IonicContact CD2-OE2 2.92Å; H679-E682 WeakPolarHBondContact O-CB 3.5Å; H679-E682 VanDerWaalsContact O-CG 3.24Å; H679-E682 WeakPolarHBondContact O-CG 3.44Å; H679-E682 PolarHBondContact O-N 2.78Å; H679-F685 HydrophobicContact CB-CD2 4.36Å; H679-F685 WeakPolarHBondContact O-CD2 3.32Å; H679-F685 WeakPolarHBondContact O-CG 3.46Å
680M76.2Confident73.1Confident88 Ų8869.9 Ų69.943%0.43338%0.378SS..THydrogen-bonded Turntrans-66.8-17.3-177.565.9-177.9-52.300114.4I676 I677 F685I676-M680 WeakPolarHBondContact O-CA 3.46Å; I676-M680 WeakPolarHBondContact O-CB 3.31Å; I676-M680 PolarHBondContact O-N 3.3Å; I677-M680 HydrophobicContact CD1-SD 4.09Å; M680-F685 HydrophobicContact CB-CD1 4.39Å; M680-F685 HydrophobicContact CB-CE1 4Å; M680-F685 HydrophobicContact CB-CE2 4.18Å; M680-F685 HydrophobicContact CB-CZ 3.9Å
681E69.4Low71.6Confident148 Ų14865.6 Ų65.669%0.69236%0.361SS*.THydrogen-bonded Turntrans-90.5-3175.8-61.1-169.7167.300113W545 H679W545-E681 WeakPolarHBondContact CZ3-O 3.47Å; H679-E681 PolarHBondContact O-N 3.24Å; H679-E681 VanDerWaalsContact O-N 3.16Å
682E72.6Confident69.5Low40 Ų4066.9 Ų66.919%0.18738%0.376CS..SBendtrans-68.1139.4175.7-57.6-159.2144.700110.7W545 H679 D684 F685W545-E682 HydrophobicContact CH2-CB 4.12Å; W545-E682 HydrophobicContact CH2-CG 3.51Å; W545-E682 HydrophobicContact CZ2-CB 4.17Å; W545-E682 HydrophobicContact CZ2-CG 3.45Å; W545-E682 VanDerWaalsContact CZ2-CG 3.45Å; W545-E682 WeakPolarHBondContact CZ2-OE1 3.49Å; W545-E682 HydrophobicContact CZ3-CG 4.47Å; H679-E682 HydrophobicContact CB-CG 3.99Å; H679-E682 IonicContact CD2-OE1 2.73Å; H679-E682 PolarHBondContact CD2-OE1 3.25Å; H679-E682 IonicContact CD2-OE2 2.92Å; H679-E682 WeakPolarHBondContact O-CB 3.5Å; H679-E682 VanDerWaalsContact O-CG 3.24Å; H679-E682 WeakPolarHBondContact O-CG 3.44Å; H679-E682 PolarHBondContact O-N 2.78Å; E682-D684 PolarHBondContact O-N 2.79Å; E682-F685 HydrophobicContact CB-CB 4.2Å; E682-F685 WeakPolarHBondContact O-CB 3.39Å; E682-F685 PolarHBondContact O-N 3.32Å
683P65.4Low66.9Low81 Ų8170.3 Ų70.353%0.52640%0.4SS..THydrogen-bonded Turntrans-61.4-34.6178.723.2-31.3000112.5F685P683-F685 VanDerWaalsContact C-N 3.32Å
684D66.7Low64.7Low79 Ų7976 Ų7642%0.42243%0.429SS..THydrogen-bonded Turntrans-92.66.5-175.9-52.5-14000112.2K659 E682 A686 E687K659-D684 PolarHBondContact NZ-O 3Å; E682-D684 PolarHBondContact O-N 2.79Å; D684-A686 PolarHBondContact O-N 2.82Å; D684-A686 VanDerWaalsContact O-N 3.13Å; D684-E687 PolarHBondContact O-N 3.03Å
685F68.1Low62.3Low17 Ų1779.6 Ų79.68%0.07545%0.446CS..THydrogen-bonded Turntrans-53.1-39.4-173.1174.9-111.4000112.8P653 A656 W675 I676 H679 M680 E682 P683P653-F685 HydrophobicContact CG-CE1 4.34Å; A656-F685 VanDerWaalsContact CA-O 3.24Å; A656-F685 WeakPolarHBondContact CA-O 3.31Å; A656-F685 HydrophobicContact CB-CD1 3.79Å; A656-F685 HydrophobicContact CB-CD2 3.97Å; A656-F685 HydrophobicContact CB-CE1 3.43Å; A656-F685 VanDerWaalsContact CB-CE1 3.43Å; A656-F685 HydrophobicContact CB-CE2 3.64Å; A656-F685 HydrophobicContact CB-CG 4.03Å; A656-F685 HydrophobicContact CB-CZ 3.34Å; A656-F685 WeakPolarHBondContact CB-O 3.32Å; W675-F685 HydrophobicContact CZ3-CD2 4.44Å; W675-F685 HydrophobicContact CZ3-CE2 4.32Å; I676-F685 HydrophobicContact CB-CE2 4.36Å; I676-F685 HydrophobicContact CB-CZ 4.3Å; I676-F685 HydrophobicContact CG1-CE2 4.28Å; I676-F685 HydrophobicContact CG1-CZ 4.27Å; I676-F685 HydrophobicContact CG2-CE2 4.17Å; I676-F685 HydrophobicContact CG2-CZ 3.66Å; H679-F685 HydrophobicContact CB-CD2 4.36Å; H679-F685 WeakPolarHBondContact O-CD2 3.32Å; H679-F685 WeakPolarHBondContact O-CG 3.46Å; M680-F685 HydrophobicContact CB-CD1 4.39Å; M680-F685 HydrophobicContact CB-CE1 4Å; M680-F685 HydrophobicContact CB-CE2 4.18Å; M680-F685 HydrophobicContact CB-CZ 3.9Å; E682-F685 HydrophobicContact CB-CB 4.2Å; E682-F685 WeakPolarHBondContact O-CB 3.39Å; E682-F685 PolarHBondContact O-N 3.32Å; P683-F685 VanDerWaalsContact C-N 3.32Å
686A62.6Low59.7Low56 Ų5685.7 Ų85.746%0.46348%0.48SS..THydrogen-bonded Turntrans-99.30.8-177.900000114.6P653 D684P653-A686 HydrophobicContact CB-CB 4.05Å; P653-A686 HydrophobicContact CG-CB 4.22Å; D684-A686 PolarHBondContact O-N 2.82Å; D684-A686 VanDerWaalsContact O-N 3.13Å
687E70.6Confident57.4Low109 Ų10991 Ų9151%0.50952%0.515SS..SBendtrans-74.4151.7175.8-66.7-162.8159.100111.1K659 D684K659-E687 WeakPolarHBondContact CE-O 3.35Å; K659-E687 PolarHBondContact NZ-O 3.02Å; D684-E687 PolarHBondContact O-N 3.03Å
688P68.3Low54.9Low86 Ų8694.9 Ų94.956%0.55854%0.535SS*.  trans-63.6148.8178.824.9-32.9000112.4E655 T690E655-P688 HydrophobicContact CG-CB 4.33Å; P688-T690 PolarHBondContact O-N 3.19Å
689L66.5Low53Low32 Ų3297.7 Ų97.717%0.16855%0.548CS..  trans-78.5112.1178-160.2128.9000110.4K659 Y662 Y663 L691K659-L689 HydrophobicContact CB-CD1 3.46Å; K659-L689 VanDerWaalsContact CB-CD1 3.46Å; K659-L689 HydrophobicContact CD-CD1 4.25Å; K659-L689 HydrophobicContact CG-CB 4.27Å; K659-L689 HydrophobicContact CG-CD1 3.63Å; K659-L689 HydrophobicContact CG-CG 4.47Å; Y662-L689 HydrophobicContact CD1-CD1 3.72Å; Y662-L689 HydrophobicContact CD1-CD2 3.92Å; Y662-L689 HydrophobicContact CD1-CG 4.45Å; Y662-L689 HydrophobicContact CD2-CD2 4.23Å; Y662-L689 HydrophobicContact CE1-CD1 4.47Å; Y662-L689 HydrophobicContact CE1-CD2 4.06Å; Y662-L689 HydrophobicContact CE2-CD2 4.38Å; Y662-L689 HydrophobicContact CG-CD1 3.96Å; Y662-L689 HydrophobicContact CG-CD2 3.99Å; Y663-L689 HydrophobicContact CD2-CD1 4.49Å; Y663-L689 HydrophobicContact CE2-CD1 4Å; L689-L691 HydrophobicContact CD2-CD2 3.28Å; L689-L691 HydrophobicContact CD2-CG 3.62Å; L689-L691 PolarHBondContact O-N 3Å
690T56.3Low50.8Low131 Ų131102.8 Ų102.880%0.80459%0.586SS**  trans-82.596172.853.50000109.4P688P688-T690 PolarHBondContact O-N 3.19Å
691L48.3Very low48.6Very low71 Ų71105.2 Ų105.237%0.37261%0.605SS.*  trans-69139.7168.7-66.5171.1000109.2Y662 L689 S693Y662-L691 HydrophobicContact CD2-CD2 4.02Å; Y662-L691 HydrophobicContact CE1-CD2 4.33Å; Y662-L691 HydrophobicContact CE2-CD2 3.3Å; Y662-L691 VanDerWaalsContact CZ-CD2 3.48Å; L689-L691 HydrophobicContact CD2-CD2 3.28Å; L689-L691 HydrophobicContact CD2-CG 3.62Å; L689-L691 PolarHBondContact O-N 3Å; L691-S693 PolarHBondContact O-N 2.72Å
692P33.8Very low46.7Very low121 Ų121103.4 Ų103.479%0.78661%0.609SS**  trans-66.287.5166.9-8.523000108.4M694P692-M694 PolarHBondContact O-N 3.09Å; P692-M694 VanDerWaalsContact O-N 3.12Å
693S28.9Very low44.5Very low73 Ų73109 Ų10951%0.5164%0.64SS.*  trans-81.192.3177.5-147.30000108.6L691 M695L691-S693 PolarHBondContact O-N 2.72Å; S693-M695 PolarHBondContact O-N 2.74Å; S693-M695 PolarHBondContact OG-O 2.79Å
694M34Very low42.7Very low183 Ų183110.7 Ų110.790%0.90165%0.654SS**SBendtrans-72103.3153.5-63.2-69-107.600105.8P692P692-M694 PolarHBondContact O-N 3.09Å; P692-M694 VanDerWaalsContact O-N 3.12Å
695M32.1Very low41Very low171 Ų171112.8 Ų112.884%0.84267%0.672SS**SBendtrans91.8114.4-168.7-89.1115105.900116S693S693-M695 PolarHBondContact O-N 2.74Å; S693-M695 PolarHBondContact OG-O 2.79Å
696D26.4Very low39.2Very low155 Ų155121.4 Ų121.483%0.82972%0.715SS**PPolyproline II helixtrans-59.8134166.7-68.2-50.6000111.5
697P31.8Very low37.7Very low112 Ų112122.7 Ų122.773%0.72773%0.734SS**PPolyproline II helixtrans-80.1136.2168.3-4.221.7000111.3
698L27.7Very low35.7Very low163 Ų163121.7 Ų121.785%0.85374%0.744SS**PPolyproline II helixtrans-53.7136.2172.6-138.575.7000111.6S700L698-S700 PolarHBondContact O-N 2.82Å
699P34Very low34Very low122 Ų122122.7 Ų122.779%0.79275%0.749SS**PPolyproline II helixtrans-72.5125.3174.721.5-21.1000111
700S27.4Very low32.6Very low121 Ų121127.7 Ų127.785%0.84678%0.783SS**PPolyproline II helixtrans-65.2145.3170.138.10000111.4L698L698-S700 PolarHBondContact O-N 2.82Å
701T30.6Very low31.7Very low138 Ų138128.3 Ų128.385%0.84778%0.781SS**PPolyproline II helixtrans-71.2125.7-167.350.30000114.3
702S28.1Very low31.4Very low111 Ų111131.2 Ų131.278%0.77680%0.797SS**  trans-169.2125.5133.553.40000112.6
703D27.3Very low32.5Very low157 Ų157132.5 Ų132.584%0.8480%0.797SS**SBendtrans84.2104.1158-69.1-13000122.4
704S26.5Very low34.3Very low117 Ų117134.1 Ų134.182%0.81880%0.799SS**  trans105.4153.7148.7-51.10000117.3
705P31.5Very low36.4Very low123 Ų123125.6 Ų125.680%0.79976%0.757SS**  -109.1146.7-102.717.74.7000113.9
706M31.1Very low38.9Very low197 Ų197120.6 Ų120.697%0.9774%0.738SS**  trans11.4113.5161.4-65.3-166.275.800119.3
707G31.6Very low41.8Very low83 Ų83117.9 Ų117.986%0.85672%0.72SS**  trans139.666.8142.500000117
708A27.2Very low44.3Very low89 Ų89120.2 Ų120.274%0.73672%0.722SS**  trans-153.1128.9156.700000110.8
709T32.4Very low47Very low106 Ų106113.4 Ų113.465%0.6569%0.687SS**  trans-72.7155173.639.90000111.7L711T709-L711 PolarHBondContact O-N 3.22Å
710P37.5Very low49.5Very low137 Ų137107.6 Ų107.689%0.8965%0.65SS**THydrogen-bonded Turntrans-80.261.6-173.735-36.1000112.7
711L38Very low52.3Low144 Ų144104.5 Ų104.575%0.75463%0.631SS**THydrogen-bonded Turntrans-1243177.9-111.6139.1000113.8T709T709-L711 PolarHBondContact O-N 3.22Å
712D42.1Very low54.8Low132 Ų132101.1 Ų101.171%0.70661%0.607SS**  trans-10619.4-165.2-79.6-20.2000116.6
713N56.3Low57.5Low149 Ų14995.9 Ų95.980%0.79757%0.57SS**  trans-100.314.9172.7-89.3-4.1000114.2
714L65.9Low60.2Low107 Ų10791.3 Ų91.356%0.5655%0.548SS*.SBendtrans-87.1134.5168.3-110.580.7000110.1
715P78.6Confident62.8Low3 Ų390.4 Ų90.42%0.01954%0.542CS..PPolyproline II helixtrans-55.5152.9170-20.230.3000111.3E717 I720 I734 L737 K738 N742P715-E717 PolarHBondContact O-N 2.66Å; P715-I720 HydrophobicContact CB-CD1 4.13Å; P715-I720 HydrophobicContact CB-CG1 4.19Å; P715-I720 HydrophobicContact CG-CD1 4.45Å; P715-I734 HydrophobicContact CG-CG2 4.26Å; P715-L737 HydrophobicContact CB-CB 3.61Å; P715-L737 HydrophobicContact CB-CD1 3.6Å; P715-L737 HydrophobicContact CB-CG 4.19Å; P715-L737 HydrophobicContact CG-CB 3.63Å; P715-L737 HydrophobicContact CG-CD1 4.25Å; P715-K738 HydrophobicContact CG-CG 4.27Å; P715-N742 WeakPolarHBondContact CA-OD1 3.5Å; P715-N742 VanDerWaalsContact CB-OD1 3.29Å; P715-N742 WeakPolarHBondContact CB-OD1 3.23Å
716P86Confident64.9Low66 Ų6688 Ų8843%0.42952%0.521SS..PPolyproline II helixtrans-51.8126.6176-24.432.6000111.5E718 S719 I720P716-E718 PolarHBondContact O-N 3.23Å; P716-S719 WeakPolarHBondContact O-CB 3.5Å; P716-S719 PolarHBondContact O-N 3.24Å; P716-I720 PolarHBondContact O-N 2.91Å
717E86.2Confident67Low99 Ų9980.8 Ų80.846%0.46350%0.498SS..Hα-helixtrans-61.6-27.9-176.6-16670-160.300111.9P715 I720 A721 R730P715-E717 PolarHBondContact O-N 2.66Å; E717-I720 PolarHBondContact O-N 2.68Å; E717-A721 WeakPolarHBondContact O-CB 3.45Å; E717-A721 PolarHBondContact O-N 2.67Å; E717-R730 IonicContact OE1-CZ 3.9Å; E717-R730 IonicContact OE1-NE 3.54Å; E717-R730 IonicContact OE1-NH2 2.88Å; E717-R730 PolarHBondContact OE1-NH2 2.83Å; E717-R730 IonicContact OE2-NH2 3.68Å; E717-R730 PolarHBondContact OE2-NH2 2.68Å; E717-R730 VanDerWaalsContact OE2-NH2 3.12Å
718E83.8Confident69.5Low161 Ų16178 Ų7875%0.75246%0.462SS*.Hα-helixtrans-60.2-44.3172.2-64.3-176.917900111.8P716 A721 I722P716-E718 PolarHBondContact O-N 3.23Å; E718-A721 PolarHBondContact O-N 3.47Å; E718-I722 VanDerWaalsContact O-CG1 3.28Å; E718-I722 WeakPolarHBondContact O-CG1 3.5Å; E718-I722 PolarHBondContact O-N 2.76Å
719S85.4Confident72.2Confident19 Ų1976.6 Ų76.613%0.13345%0.445CS..Hα-helixtrans-66.2-40.2176.9-58.60000111.5P716 I722 L723P716-S719 WeakPolarHBondContact O-CB 3.5Å; P716-S719 PolarHBondContact O-N 3.24Å; S719-I722 PolarHBondContact O-N 3.02Å; S719-L723 WeakPolarHBondContact O-CG 3.47Å; S719-L723 PolarHBondContact O-N 3.14Å; S719-L723 VanDerWaalsContact O-N 3.11Å
720I86.8Confident74.6Confident1 Ų177.2 Ų77.21%0.00544%0.435CS..Hα-helixtrans-63.6-43175.8-61.8169.6000110.4P715 P716 E717 L723 T724 R730 I734 L737P715-I720 HydrophobicContact CB-CD1 4.13Å; P715-I720 HydrophobicContact CB-CG1 4.19Å; P715-I720 HydrophobicContact CG-CD1 4.45Å; P716-I720 PolarHBondContact O-N 2.91Å; E717-I720 PolarHBondContact O-N 2.68Å; I720-L723 PolarHBondContact O-N 3.22Å; I720-T724 WeakPolarHBondContact O-CB 3.47Å; I720-T724 PolarHBondContact O-N 3.25Å; I720-T724 PolarHBondContact O-OG1 3.26Å; I720-R730 HydrophobicContact CG2-CG 3.78Å; I720-I734 HydrophobicContact CD1-CD1 4.34Å; I720-I734 HydrophobicContact CD1-CG1 3.72Å; I720-I734 HydrophobicContact CG1-CG1 4.18Å; I720-L737 HydrophobicContact CG1-CD1 3.74Å
721A85Confident76.8Confident55 Ų5576.2 Ų76.246%0.45542%0.423SS..Hα-helixtrans-64.2-39.7178.200000112E717 E718 T724 S725E717-A721 WeakPolarHBondContact O-CB 3.45Å; E717-A721 PolarHBondContact O-N 2.67Å; E718-A721 PolarHBondContact O-N 3.47Å; A721-T724 PolarHBondContact O-N 3.04Å; A721-S725 VanDerWaalsContact O-CB 3.27Å; A721-S725 WeakPolarHBondContact O-CB 3.37Å; A721-S725 PolarHBondContact O-N 3.38Å; A721-S725 PolarHBondContact O-OG 2.91Å
722I84.1Confident78.9Confident68 Ų6870 Ų7035%0.34939%0.389SS..Hα-helixtrans-60.4-51.3174.7-68.5163.7000110.2E718 S719 T724 S725 M726 L744E718-I722 VanDerWaalsContact O-CG1 3.28Å; E718-I722 WeakPolarHBondContact O-CG1 3.5Å; E718-I722 PolarHBondContact O-N 2.76Å; S719-I722 PolarHBondContact O-N 3.02Å; I722-T724 PolarHBondContact O-N 3.44Å; I722-S725 PolarHBondContact O-N 3.42Å; I722-S725 PolarHBondContact O-OG 3.22Å; I722-M726 HydrophobicContact CG2-CE 3.78Å; I722-M726 WeakPolarHBondContact O-CG 3.17Å; I722-M726 PolarHBondContact O-N 3.07Å; I722-L744 HydrophobicContact CD1-CD2 4.09Å; I722-L744 HydrophobicContact CG2-CD1 4.37Å; I722-L744 HydrophobicContact CG2-CD2 4.22Å
723L84Confident81Confident0 Ų063.7 Ų63.70%036%0.356CS..Hα-helixtrans-63.1-40.8179.3-64177.1000112.3S719 I720 S725 M726 G727 F728 S733 L737 L744 A747 L748 I751S719-L723 WeakPolarHBondContact O-CG 3.47Å; S719-L723 PolarHBondContact O-N 3.14Å; S719-L723 VanDerWaalsContact O-N 3.11Å; I720-L723 PolarHBondContact O-N 3.22Å; L723-S725 VanDerWaalsContact C-N 3.31Å; L723-S725 PolarHBondContact O-N 3.22Å; L723-M726 WeakPolarHBondContact O-CB 3.21Å; L723-M726 PolarHBondContact O-N 3.3Å; L723-M726 VanDerWaalsContact O-N 3.15Å; L723-G727 PolarHBondContact O-N 2.89Å; L723-F728 VanDerWaalsContact O-CD2 3.31Å; L723-F728 WeakPolarHBondContact O-CD2 3.36Å; L723-F728 PolarHBondContact O-N 3.49Å; L723-S733 VanDerWaalsContact CB-OG 3.31Å; L723-S733 WeakPolarHBondContact CB-OG 3.43Å; L723-L737 HydrophobicContact CD1-CD1 3.81Å; L723-L737 HydrophobicContact CD1-CD2 4.3Å; L723-L737 HydrophobicContact CD1-CG 3.83Å; L723-L744 HydrophobicContact CD1-CD1 4.33Å; L723-L744 HydrophobicContact CD2-CD1 3.84Å; L723-L744 HydrophobicContact CG-CD1 3.87Å; L723-A747 HydrophobicContact CD1-CB 4.38Å; L723-L748 HydrophobicContact CD2-CD1 4.47Å; L723-L748 HydrophobicContact CD2-CD2 3.25Å; L723-L748 HydrophobicContact CD2-CG 3.57Å; L723-I751 HydrophobicContact CD1-CD1 4.01Å; L723-I751 HydrophobicContact CD2-CD1 4.1Å
724T85.1Confident82.4Confident61 Ų6157.8 Ų57.837%0.37432%0.324SS..Hα-helixtrans-65.6-36.9176.9-51.70000111.3I720 A721 I722 M726 G727 F728I720-T724 WeakPolarHBondContact O-CB 3.47Å; I720-T724 PolarHBondContact O-N 3.25Å; I720-T724 PolarHBondContact O-OG1 3.26Å; A721-T724 PolarHBondContact O-N 3.04Å; I722-T724 PolarHBondContact O-N 3.44Å; T724-M726 VanDerWaalsContact C-N 3.27Å; T724-M726 PolarHBondContact O-N 3.15Å; T724-G727 PolarHBondContact O-N 3.28Å; T724-F728 WeakPolarHBondContact CA-O 3.3Å
725S80.9Confident83.3Confident99 Ų9958.7 Ų58.769%0.69232%0.32SS*.Hα-helixtrans-68.3-25.9175.276.80000113.4A721 I722 L723 G727A721-S725 VanDerWaalsContact O-CB 3.27Å; A721-S725 WeakPolarHBondContact O-CB 3.37Å; A721-S725 PolarHBondContact O-N 3.38Å; A721-S725 PolarHBondContact O-OG 2.91Å; I722-S725 PolarHBondContact O-N 3.42Å; I722-S725 PolarHBondContact O-OG 3.22Å; L723-S725 VanDerWaalsContact C-N 3.31Å; L723-S725 PolarHBondContact O-N 3.22Å; S725-G727 PolarHBondContact O-N 2.94Å
726M75.2Confident83.6Confident72 Ų7258.6 Ų58.636%0.35532%0.319SS..THydrogen-bonded Turntrans-75.5-1.6170.2-66.7179.5-179.300112.7A451 I722 L723 T724 F728 L748A451-M726 VanDerWaalsContact CB-O 3.28Å; A451-M726 WeakPolarHBondContact CB-O 3.43Å; I722-M726 HydrophobicContact CG2-CE 3.78Å; I722-M726 WeakPolarHBondContact O-CG 3.17Å; I722-M726 PolarHBondContact O-N 3.07Å; L723-M726 WeakPolarHBondContact O-CB 3.21Å; L723-M726 PolarHBondContact O-N 3.3Å; L723-M726 VanDerWaalsContact O-N 3.15Å; T724-M726 VanDerWaalsContact C-N 3.27Å; T724-M726 PolarHBondContact O-N 3.15Å; M726-F728 HydrophobicContact CB-CD2 3.96Å; M726-F728 HydrophobicContact CB-CE2 3.84Å; M726-L748 HydrophobicContact CE-CD1 4.26Å; M726-L748 HydrophobicContact SD-CD1 4.19Å; M726-L748 HydrophobicContact SD-CD2 3.51Å; M726-L748 VanDerWaalsContact SD-CD2 3.51Å; M726-L748 HydrophobicContact SD-CG 4.48Å
727G76.2Confident83.6Confident46 Ų4655.4 Ų55.447%0.47430%0.299SS..THydrogen-bonded Turntrans98.88.917500000114.9L723 T724 S725L723-G727 PolarHBondContact O-N 2.89Å; T724-G727 PolarHBondContact O-N 3.28Å; S725-G727 PolarHBondContact O-N 2.94Å
728F82.4Confident83.7Confident25 Ų2556.6 Ų56.611%0.1130%0.302CS..  trans-86.8144.2178.1-59.4-63.8000112.7A451 L723 T724 M726 L748 I751 F752A451-F728 HydrophobicContact CB-CE1 4.13Å; A451-F728 HydrophobicContact CB-CZ 3.96Å; L723-F728 VanDerWaalsContact O-CD2 3.31Å; L723-F728 WeakPolarHBondContact O-CD2 3.36Å; L723-F728 PolarHBondContact O-N 3.49Å; T724-F728 WeakPolarHBondContact CA-O 3.3Å; M726-F728 HydrophobicContact CB-CD2 3.96Å; M726-F728 HydrophobicContact CB-CE2 3.84Å; F728-L748 HydrophobicContact CE2-CD2 4.15Å; F728-I751 HydrophobicContact CD1-CG2 3.47Å; F728-I751 VanDerWaalsContact CD1-CG2 3.47Å; F728-I751 HydrophobicContact CD2-CD1 4.29Å; F728-I751 HydrophobicContact CD2-CG2 4.34Å; F728-I751 HydrophobicContact CE1-CG2 3.39Å; F728-I751 HydrophobicContact CE2-CG2 4.29Å; F728-I751 HydrophobicContact CG-CD1 4.37Å; F728-I751 HydrophobicContact CG-CG2 3.97Å; F728-I751 HydrophobicContact CZ-CG2 3.84Å; F728-F752 HydrophobicContact CE1-CE1 4.49Å; F728-F752 HydrophobicContact CE1-CZ 4.34Å; F728-F752 HydrophobicContact CE2-CE2 4.43Å; F728-F752 HydrophobicContact CE2-CZ 4.26Å; F728-F752 AromaticContact CZ-CE1 4Å; F728-F752 HydrophobicContact CZ-CE1 4Å; F728-F752 AromaticContact CZ-CE2 3.92Å; F728-F752 HydrophobicContact CZ-CE2 3.92Å; F728-F752 AromaticContact CZ-CZ 3.45Å; F728-F752 HydrophobicContact CZ-CZ 3.45Å; F728-F752 VanDerWaalsContact CZ-CZ 3.45Å
729P84.7Confident83.7Confident58 Ų5851.8 Ų51.838%0.37729%0.29SS..  trans-57.9145.1171.4-22.733000111.8N731 H732 S733P729-N731 VanDerWaalsContact C-N 3.3Å; P729-N731 PolarHBondContact O-N 3.22Å; P729-H732 HydrophobicContact CB-CB 4.29Å; P729-H732 PolarHBondContact O-N 2.91Å; P729-S733 PolarHBondContact O-N 3.37Å; P729-S733 PolarHBondContact O-OG 2.68Å
730R83.4Confident83.8Confident120 Ų12051.2 Ų51.245%0.45329%0.286SS..Hα-helixtrans-59.4-41-179.5-171175.7-172.9-116.31.3112.1E717 I720 S733 I734E717-R730 IonicContact OE1-CZ 3.9Å; E717-R730 IonicContact OE1-NE 3.54Å; E717-R730 IonicContact OE1-NH2 2.88Å; E717-R730 PolarHBondContact OE1-NH2 2.83Å; E717-R730 IonicContact OE2-NH2 3.68Å; E717-R730 PolarHBondContact OE2-NH2 2.68Å; E717-R730 VanDerWaalsContact OE2-NH2 3.12Å; I720-R730 HydrophobicContact CG2-CG 3.78Å; R730-S733 WeakPolarHBondContact O-CB 2.99Å; R730-S733 PolarHBondContact O-N 2.85Å; R730-I734 HydrophobicContact CG-CD1 4.13Å; R730-I734 VanDerWaalsContact O-CG1 3.3Å; R730-I734 WeakPolarHBondContact O-CG1 3.19Å; R730-I734 PolarHBondContact O-N 2.98Å
731N83.6Confident83.7Confident116 Ų11657.9 Ų57.962%0.6232%0.321SS*.Hα-helixtrans-64.9-43.6-179.7-71-13000111.8P729 I734 R735P729-N731 VanDerWaalsContact C-N 3.3Å; P729-N731 PolarHBondContact O-N 3.22Å; N731-I734 PolarHBondContact O-N 3.03Å; N731-R735 PolarHBondContact O-N 3.37Å
732H82.2Confident83.6Confident12 Ų1258.6 Ų58.66%0.05632%0.318CS..Hα-helixtrans-63.4-44.5175.5-168.3179.9000111.6P729 I734 R735 A736 W750 H754 E756P729-H732 HydrophobicContact CB-CB 4.29Å; P729-H732 PolarHBondContact O-N 2.91Å; H732-I734 VanDerWaalsContact C-N 3.26Å; H732-I734 PolarHBondContact O-N 2.98Å; H732-R735 PolarHBondContact O-N 3.44Å; H732-R735 VanDerWaalsContact O-N 3.13Å; H732-A736 WeakPolarHBondContact O-CB 3.19Å; H732-A736 PolarHBondContact O-N 2.7Å; H732-W750 AromaticContact CD2-CZ3 3.87Å; H732-W750 AromaticContact NE2-CZ3 3.58Å; H732-H754 PolarHBondContact CE1-O 3.31Å; H732-H754 VanDerWaalsContact CE1-O 3.32Å; H732-H754 PolarHBondContact NE2-O 2.73Å; H732-E756 HydrophobicContact CB-CG 4.32Å
733S85.4Confident83.7Confident0 Ų058.7 Ų58.70%032%0.319CS..Hα-helixtrans-56.4-39.7175.4-57.10000112.4L723 P729 R730 L737L723-S733 VanDerWaalsContact CB-OG 3.31Å; L723-S733 WeakPolarHBondContact CB-OG 3.43Å; P729-S733 PolarHBondContact O-N 3.37Å; P729-S733 PolarHBondContact O-OG 2.68Å; R730-S733 WeakPolarHBondContact O-CB 2.99Å; R730-S733 PolarHBondContact O-N 2.85Å; S733-L737 WeakPolarHBondContact O-CB 3.5Å; S733-L737 WeakPolarHBondContact O-CD1 3.46Å; S733-L737 WeakPolarHBondContact O-CG 3.49Å; S733-L737 PolarHBondContact O-N 2.87Å; S733-L737 VanDerWaalsContact O-N 3.08Å
734I85.3Confident83.7Confident25 Ų2561 Ų6113%0.12833%0.331CS..Hα-helixtrans-68.5-45.2176.5-68.1164.2000111.2P715 I720 R730 N731 H732 A736 L737 K738P715-I734 HydrophobicContact CG-CG2 4.26Å; I720-I734 HydrophobicContact CD1-CD1 4.34Å; I720-I734 HydrophobicContact CD1-CG1 3.72Å; I720-I734 HydrophobicContact CG1-CG1 4.18Å; R730-I734 HydrophobicContact CG-CD1 4.13Å; R730-I734 VanDerWaalsContact O-CG1 3.3Å; R730-I734 WeakPolarHBondContact O-CG1 3.19Å; R730-I734 PolarHBondContact O-N 2.98Å; N731-I734 PolarHBondContact O-N 3.03Å; H732-I734 VanDerWaalsContact C-N 3.26Å; H732-I734 PolarHBondContact O-N 2.98Å; I734-A736 VanDerWaalsContact C-N 3.33Å; I734-A736 PolarHBondContact O-N 3.31Å; I734-L737 PolarHBondContact O-N 3.47Å; I734-K738 HydrophobicContact CG2-CD 4.21Å; I734-K738 WeakPolarHBondContact O-CB 3.49Å; I734-K738 WeakPolarHBondContact O-CG 3.44Å; I734-K738 PolarHBondContact O-N 2.98Å
735R84.5Confident83.6Confident127 Ų12765.3 Ų65.348%0.47935%0.347SS..Hα-helixtrans-59.3-45.8177.3-73.4-177.5-175179.9-1.1110.9N731 H732 K738 A739 E759N731-R735 PolarHBondContact O-N 3.37Å; H732-R735 PolarHBondContact O-N 3.44Å; H732-R735 VanDerWaalsContact O-N 3.13Å; R735-K738 PolarHBondContact O-N 2.88Å; R735-A739 WeakPolarHBondContact O-CB 3.42Å; R735-A739 PolarHBondContact O-N 2.94Å; R735-E759 IonicContact CZ-OE2 3.77Å; R735-E759 IonicContact NH1-OE2 2.88Å; R735-E759 IonicContact NH2-OE2 3.88Å; R735-E759 PolarHBondContact NH2-OE2 2.81Å
736A85.1Confident83.7Confident0 Ų068 Ų680%034%0.341CS..Hα-helixtrans-61.8-47.7178.900000112.8H732 I734 K738 A739 T740 A747 W750 I751H732-A736 WeakPolarHBondContact O-CB 3.19Å; H732-A736 PolarHBondContact O-N 2.7Å; I734-A736 VanDerWaalsContact C-N 3.33Å; I734-A736 PolarHBondContact O-N 3.31Å; A736-K738 VanDerWaalsContact C-N 3.3Å; A736-K738 PolarHBondContact O-N 2.91Å; A736-A739 PolarHBondContact O-N 3.17Å; A736-T740 WeakPolarHBondContact O-CG2 3.36Å; A736-T740 PolarHBondContact O-N 3.28Å; A736-T740 VanDerWaalsContact O-N 3.09Å; A736-T740 PolarHBondContact O-OG1 3.08Å; A736-A747 HydrophobicContact CB-CB 4.12Å; A736-W750 HydrophobicContact CB-CD2 4.41Å; A736-W750 HydrophobicContact CB-CE3 3.62Å; A736-W750 HydrophobicContact CB-CZ3 4.22Å; A736-I751 HydrophobicContact CB-CD1 3.7Å; A736-I751 HydrophobicContact CB-CG1 3.36Å
737L87.4Confident84.2Confident0 Ų064.5 Ų64.50%033%0.325CS..Hα-helixtrans-64.4-35.1177.8-73.5165000112.2P715 I720 L723 S733 I734 T740 N741 N742 A747P715-L737 HydrophobicContact CB-CB 3.61Å; P715-L737 HydrophobicContact CB-CD1 3.6Å; P715-L737 HydrophobicContact CB-CG 4.19Å; P715-L737 HydrophobicContact CG-CB 3.63Å; P715-L737 HydrophobicContact CG-CD1 4.25Å; I720-L737 HydrophobicContact CG1-CD1 3.74Å; L723-L737 HydrophobicContact CD1-CD1 3.81Å; L723-L737 HydrophobicContact CD1-CD2 4.3Å; L723-L737 HydrophobicContact CD1-CG 3.83Å; S733-L737 WeakPolarHBondContact O-CB 3.5Å; S733-L737 WeakPolarHBondContact O-CD1 3.46Å; S733-L737 WeakPolarHBondContact O-CG 3.49Å; S733-L737 PolarHBondContact O-N 2.87Å; S733-L737 VanDerWaalsContact O-N 3.08Å; I734-L737 PolarHBondContact O-N 3.47Å; L737-T740 PolarHBondContact O-N 3.46Å; L737-N741 PolarHBondContact O-N 3.36Å; L737-N742 WeakPolarHBondContact O-CA 3.49Å; L737-N742 PolarHBondContact O-N 3.15Å; L737-A747 HydrophobicContact CD2-CB 3.65Å; L737-A747 HydrophobicContact CG-CB 3.99Å
738K86.8Confident84.5Confident124 Ų12463.3 Ų63.354%0.53931%0.307SS..Hα-helixtrans-65.4-45.6173-75.6-177.9176.2-1710111.8P715 I734 R735 A736 T740 N741P715-K738 HydrophobicContact CG-CG 4.27Å; I734-K738 HydrophobicContact CG2-CD 4.21Å; I734-K738 WeakPolarHBondContact O-CB 3.49Å; I734-K738 WeakPolarHBondContact O-CG 3.44Å; I734-K738 PolarHBondContact O-N 2.98Å; R735-K738 PolarHBondContact O-N 2.88Å; A736-K738 VanDerWaalsContact C-N 3.3Å; A736-K738 PolarHBondContact O-N 2.91Å; K738-T740 PolarHBondContact O-N 2.86Å; K738-N741 PolarHBondContact O-N 3.04Å
739A84.4Confident84.5Confident59 Ų5965.7 Ų65.749%0.48832%0.321SS..Hα-helixtrans-63.6-25.2179.500000113.1R735 A736 W750R735-A739 WeakPolarHBondContact O-CB 3.42Å; R735-A739 PolarHBondContact O-N 2.94Å; A736-A739 PolarHBondContact O-N 3.17Å; A739-W750 HydrophobicContact CB-CD2 4.22Å; A739-W750 HydrophobicContact CB-CG 4.4Å; A739-W750 HydrophobicContact CB-CZ2 4.28Å
740T86.4Confident84.5Confident7 Ų766.3 Ų66.34%0.04332%0.316CS..THydrogen-bonded Turntrans-110.817.1-175.466.50000114.1A736 L737 K738 N742 N743 R746 A747 W750A736-T740 WeakPolarHBondContact O-CG2 3.36Å; A736-T740 PolarHBondContact O-N 3.28Å; A736-T740 VanDerWaalsContact O-N 3.09Å; A736-T740 PolarHBondContact O-OG1 3.08Å; L737-T740 PolarHBondContact O-N 3.46Å; K738-T740 PolarHBondContact O-N 2.86Å; T740-N742 VanDerWaalsContact C-N 3.31Å; T740-N742 PolarHBondContact O-N 3.06Å; T740-N743 WeakPolarHBondContact O-CB 3.28Å; T740-N743 PolarHBondContact O-N 2.67Å; T740-N743 PolarHBondContact OG1-O 3.19Å; T740-N743 VanDerWaalsContact OG1-O 3.1Å; T740-R746 HydrophobicContact CG2-CB 3.82Å; T740-A747 WeakPolarHBondContact OG1-CA 3.41Å; T740-A747 WeakPolarHBondContact OG1-CB 3.37Å; T740-A747 PolarHBondContact OG1-N 2.79Å; T740-W750 HydrophobicContact CG2-CB 3.86Å; T740-W750 HydrophobicContact CG2-CG 4.24Å
741N85Confident84.5Confident142 Ų14260.9 Ų60.976%0.75930%0.296SS*.THydrogen-bonded Turntrans55.945.3178-156.114000112.4L737 K738 N743L737-N741 PolarHBondContact O-N 3.36Å; K738-N741 PolarHBondContact O-N 3.04Å; N741-N743 PolarHBondContact O-N 2.77Å
742N84.2Confident84.1Confident70 Ų7058.4 Ų58.437%0.37428%0.28SS..THydrogen-bonded Turntrans61.816-179.3-58.6-49.4000115.8P715 L737 T740 L744P715-N742 WeakPolarHBondContact CA-OD1 3.5Å; P715-N742 VanDerWaalsContact CB-OD1 3.29Å; P715-N742 WeakPolarHBondContact CB-OD1 3.23Å; L737-N742 WeakPolarHBondContact O-CA 3.49Å; L737-N742 PolarHBondContact O-N 3.15Å; T740-N742 VanDerWaalsContact C-N 3.31Å; T740-N742 PolarHBondContact O-N 3.06Å; N742-L744 PolarHBondContact O-N 2.73Å
743N85.5Confident84Confident69 Ų6962.3 Ų62.337%0.36930%0.304SS..  trans-81.2114.2172.5-174.4-40000110.2T740 N741 E745 R746 A747T740-N743 WeakPolarHBondContact O-CB 3.28Å; T740-N743 PolarHBondContact O-N 2.67Å; T740-N743 PolarHBondContact OG1-O 3.19Å; T740-N743 VanDerWaalsContact OG1-O 3.1Å; N741-N743 PolarHBondContact O-N 2.77Å; N743-E745 PolarHBondContact O-N 2.95Å; N743-E745 PolarHBondContact OD1-N 3.46Å; N743-R746 HydrophobicContact CB-CB 4.2Å; N743-R746 HydrophobicContact CB-CG 4.39Å; N743-R746 PolarHBondContact O-N 3.18Å; N743-R746 PolarHBondContact OD1-N 2.96Å; N743-A747 VanDerWaalsContact O-CB 3.29Å; N743-A747 WeakPolarHBondContact O-CB 3.37Å; N743-A747 PolarHBondContact O-N 3.46Å
744L83.4Confident83.5Confident48 Ų4866.9 Ų66.925%0.25133%0.326SS..Hα-helixtrans-60.1-43.5-176.7-177.369.8000113.2I722 L723 N742 A747 L748I722-L744 HydrophobicContact CD1-CD2 4.09Å; I722-L744 HydrophobicContact CG2-CD1 4.37Å; I722-L744 HydrophobicContact CG2-CD2 4.22Å; L723-L744 HydrophobicContact CD1-CD1 4.33Å; L723-L744 HydrophobicContact CD2-CD1 3.84Å; L723-L744 HydrophobicContact CG-CD1 3.87Å; N742-L744 PolarHBondContact O-N 2.73Å; L744-A747 PolarHBondContact O-N 2.82Å; L744-L748 WeakPolarHBondContact O-CG 3.3Å; L744-L748 PolarHBondContact O-N 3.12Å
745E82.9Confident82.5Confident152 Ų15270.2 Ų70.271%0.7135%0.349SS*.Hα-helixtrans-65.4-45.5-177.4-64.8-179.5171.900110.6N743 A747 L748 D749N743-E745 PolarHBondContact O-N 2.95Å; N743-E745 PolarHBondContact OD1-N 3.46Å; E745-A747 VanDerWaalsContact C-N 3.35Å; E745-L748 WeakPolarHBondContact O-CB 3.5Å; E745-L748 PolarHBondContact O-N 3.28Å; E745-D749 PolarHBondContact O-N 2.82Å; E745-D749 VanDerWaalsContact O-N 3.17Å
746R84.5Confident81Confident155 Ų15568.7 Ų68.759%0.58535%0.347SS*.Hα-helixtrans-66.4-38175.1-68.2-173.766.2-170.6-1.5111.8T740 N743 L748 D749 W750T740-R746 HydrophobicContact CG2-CB 3.82Å; N743-R746 HydrophobicContact CB-CB 4.2Å; N743-R746 HydrophobicContact CB-CG 4.39Å; N743-R746 PolarHBondContact O-N 3.18Å; N743-R746 PolarHBondContact OD1-N 2.96Å; R746-L748 VanDerWaalsContact C-N 3.3Å; R746-L748 PolarHBondContact O-N 3.2Å; R746-D749 PolarHBondContact O-N 3.16Å; R746-W750 WeakPolarHBondContact O-CB 3.47Å; R746-W750 PolarHBondContact O-N 3.4Å
747A84.6Confident78.8Confident0 Ų076.5 Ų76.50%038%0.383CS..Hα-helixtrans-62-40.417800000111.2L723 A736 L737 T740 N743 L744 E745 W750 I751L723-A747 HydrophobicContact CD1-CB 4.38Å; A736-A747 HydrophobicContact CB-CB 4.12Å; L737-A747 HydrophobicContact CD2-CB 3.65Å; L737-A747 HydrophobicContact CG-CB 3.99Å; T740-A747 WeakPolarHBondContact OG1-CA 3.41Å; T740-A747 WeakPolarHBondContact OG1-CB 3.37Å; T740-A747 PolarHBondContact OG1-N 2.79Å; N743-A747 VanDerWaalsContact O-CB 3.29Å; N743-A747 WeakPolarHBondContact O-CB 3.37Å; N743-A747 PolarHBondContact O-N 3.46Å; L744-A747 PolarHBondContact O-N 2.82Å; E745-A747 VanDerWaalsContact C-N 3.35Å; A747-W750 PolarHBondContact O-N 3.41Å; A747-I751 VanDerWaalsContact O-CG1 3.28Å; A747-I751 WeakPolarHBondContact O-CG1 3.45Å; A747-I751 PolarHBondContact O-N 2.81Å
748L82.1Confident76.5Confident20 Ų2084.9 Ų84.911%0.10542%0.423CS..Hα-helixtrans-59.2-51.7172.6-78.5168000111.4L723 M726 F728 L744 E745 R746 W750 I751 F752L723-L748 HydrophobicContact CD2-CD1 4.47Å; L723-L748 HydrophobicContact CD2-CD2 3.25Å; L723-L748 HydrophobicContact CD2-CG 3.57Å; M726-L748 HydrophobicContact CE-CD1 4.26Å; M726-L748 HydrophobicContact SD-CD1 4.19Å; M726-L748 HydrophobicContact SD-CD2 3.51Å; M726-L748 VanDerWaalsContact SD-CD2 3.51Å; M726-L748 HydrophobicContact SD-CG 4.48Å; F728-L748 HydrophobicContact CE2-CD2 4.15Å; L744-L748 WeakPolarHBondContact O-CG 3.3Å; L744-L748 PolarHBondContact O-N 3.12Å; E745-L748 WeakPolarHBondContact O-CB 3.5Å; E745-L748 PolarHBondContact O-N 3.28Å; R746-L748 VanDerWaalsContact C-N 3.3Å; R746-L748 PolarHBondContact O-N 3.2Å; L748-W750 PolarHBondContact O-N 2.91Å; L748-I751 PolarHBondContact O-N 2.89Å; L748-F752 WeakPolarHBondContact O-CD2 3.45Å; L748-F752 PolarHBondContact O-N 2.78Å
749D82.7Confident74Confident76 Ų7685.7 Ų85.741%0.40643%0.428SS..Hα-helixtrans-60.5-35.8178.2-71-19.5000112.1R448 E745 R746 F752 T753R448-D749 IonicContact CZ-OD1 2.66Å; R448-D749 IonicContact NH2-OD1 3.11Å; R448-D749 PolarHBondContact NH2-OD1 2.94Å; E745-D749 PolarHBondContact O-N 2.82Å; E745-D749 VanDerWaalsContact O-N 3.17Å; R746-D749 PolarHBondContact O-N 3.16Å; D749-F752 PolarHBondContact O-N 2.94Å; D749-T753 WeakPolarHBondContact O-CB 3.22Å; D749-T753 WeakPolarHBondContact O-CG2 3.28Å; D749-T753 PolarHBondContact O-N 3.42Å; D749-T753 VanDerWaalsContact O-N 3.07Å; D749-T753 PolarHBondContact O-OG1 3.06Å
750W84.9Confident71.5Confident71 Ų7188.5 Ų88.527%0.26944%0.444SS..Hα-helixtrans-63.7-45.8175.8-166.690.8000111.9H732 A736 A739 T740 R746 A747 L748 F752 T753 H754H732-W750 AromaticContact CD2-CZ3 3.87Å; H732-W750 AromaticContact NE2-CZ3 3.58Å; A736-W750 HydrophobicContact CB-CD2 4.41Å; A736-W750 HydrophobicContact CB-CE3 3.62Å; A736-W750 HydrophobicContact CB-CZ3 4.22Å; A739-W750 HydrophobicContact CB-CD2 4.22Å; A739-W750 HydrophobicContact CB-CG 4.4Å; A739-W750 HydrophobicContact CB-CZ2 4.28Å; T740-W750 HydrophobicContact CG2-CB 3.86Å; T740-W750 HydrophobicContact CG2-CG 4.24Å; R746-W750 WeakPolarHBondContact O-CB 3.47Å; R746-W750 PolarHBondContact O-N 3.4Å; A747-W750 PolarHBondContact O-N 3.41Å; L748-W750 PolarHBondContact O-N 2.91Å; W750-F752 VanDerWaalsContact C-N 3.3Å; W750-F752 PolarHBondContact O-N 2.95Å; W750-T753 WeakPolarHBondContact CA-OG1 3.04Å; W750-T753 PolarHBondContact O-N 3.22Å; W750-T753 PolarHBondContact O-OG1 2.98Å; W750-H754 AromaticContact CD1-ND1 3.88Å; W750-H754 HydrophobicContact CD2-CB 4.25Å; W750-H754 AromaticContact CE2-CG 3.84Å; W750-H754 AromaticContact CE2-ND1 3.87Å; W750-H754 HydrophobicContact CE3-CB 4.16Å; W750-H754 HydrophobicContact CH2-CB 3.95Å; W750-H754 HydrophobicContact CZ2-CB 4.03Å; W750-H754 AromaticContact CZ2-CG 3.95Å; W750-H754 HydrophobicContact CZ3-CB 4.02Å; W750-H754 AromaticContact NE1-CE1 3.79Å; W750-H754 AromaticContact NE1-ND1 3.73Å; W750-H754 WeakPolarHBondContact O-CB 3.37Å; W750-H754 PolarHBondContact O-N 3.05Å; W750-H754 PolarHBondContact O-ND1 3.26Å
751I83.8Confident68.9Low5 Ų595.8 Ų95.83%0.02648%0.483CS..Hα-helixtrans-59-40.9178-71.3165.5000111.6L723 F728 A736 A747 L748 H754L723-I751 HydrophobicContact CD1-CD1 4.01Å; L723-I751 HydrophobicContact CD2-CD1 4.1Å; F728-I751 HydrophobicContact CD1-CG2 3.47Å; F728-I751 VanDerWaalsContact CD1-CG2 3.47Å; F728-I751 HydrophobicContact CD2-CD1 4.29Å; F728-I751 HydrophobicContact CD2-CG2 4.34Å; F728-I751 HydrophobicContact CE1-CG2 3.39Å; F728-I751 HydrophobicContact CE2-CG2 4.29Å; F728-I751 HydrophobicContact CG-CD1 4.37Å; F728-I751 HydrophobicContact CG-CG2 3.97Å; F728-I751 HydrophobicContact CZ-CG2 3.84Å; A736-I751 HydrophobicContact CB-CD1 3.7Å; A736-I751 HydrophobicContact CB-CG1 3.36Å; A747-I751 VanDerWaalsContact O-CG1 3.28Å; A747-I751 WeakPolarHBondContact O-CG1 3.45Å; A747-I751 PolarHBondContact O-N 2.81Å; L748-I751 PolarHBondContact O-N 2.89Å; I751-H754 CarbonylContact O-C 3.57Å
752F75.9Confident66.4Low65 Ų6592.1 Ų92.129%0.28548%0.479SS..Hα-helixtrans-74.2-28.6179.5-75.5-70.1000113.4E447 R448 F728 L748 D749 W750E447-F752 HydrophobicContact CG-CD1 4.04Å; E447-F752 HydrophobicContact CG-CE1 3.88Å; R448-F752 HydrophobicContact CB-CE2 4.4Å; R448-F752 HydrophobicContact CB-CZ 4.25Å; R448-F752 HydrophobicContact CG-CD2 4.31Å; R448-F752 HydrophobicContact CG-CE2 3.56Å; R448-F752 HydrophobicContact CG-CZ 3.81Å; F728-F752 HydrophobicContact CE1-CE1 4.49Å; F728-F752 HydrophobicContact CE1-CZ 4.34Å; F728-F752 HydrophobicContact CE2-CE2 4.43Å; F728-F752 HydrophobicContact CE2-CZ 4.26Å; F728-F752 AromaticContact CZ-CE1 4Å; F728-F752 HydrophobicContact CZ-CE1 4Å; F728-F752 AromaticContact CZ-CE2 3.92Å; F728-F752 HydrophobicContact CZ-CE2 3.92Å; F728-F752 AromaticContact CZ-CZ 3.45Å; F728-F752 HydrophobicContact CZ-CZ 3.45Å; F728-F752 VanDerWaalsContact CZ-CZ 3.45Å; L748-F752 WeakPolarHBondContact O-CD2 3.45Å; L748-F752 PolarHBondContact O-N 2.78Å; D749-F752 PolarHBondContact O-N 2.94Å; W750-F752 VanDerWaalsContact C-N 3.3Å; W750-F752 PolarHBondContact O-N 2.95Å
753T78.4Confident63.8Low94 Ų9497.7 Ų97.758%0.57751%0.508SS*.Hα-helixtrans-85.4-20.1177.549.60000112.8D749 W750D749-T753 WeakPolarHBondContact O-CB 3.22Å; D749-T753 WeakPolarHBondContact O-CG2 3.28Å; D749-T753 PolarHBondContact O-N 3.42Å; D749-T753 VanDerWaalsContact O-N 3.07Å; D749-T753 PolarHBondContact O-OG1 3.06Å; W750-T753 WeakPolarHBondContact CA-OG1 3.04Å; W750-T753 PolarHBondContact O-N 3.22Å; W750-T753 PolarHBondContact O-OG1 2.98Å
754H75.7Confident61.1Low96 Ų9699.9 Ų99.944%0.44453%0.529SS..SBendtrans-129.566.3-179.4-57.873.8000110.6H732 W750 I751H732-H754 PolarHBondContact CE1-O 3.31Å; H732-H754 VanDerWaalsContact CE1-O 3.32Å; H732-H754 PolarHBondContact NE2-O 2.73Å; W750-H754 AromaticContact CD1-ND1 3.88Å; W750-H754 HydrophobicContact CD2-CB 4.25Å; W750-H754 AromaticContact CE2-CG 3.84Å; W750-H754 AromaticContact CE2-ND1 3.87Å; W750-H754 HydrophobicContact CE3-CB 4.16Å; W750-H754 HydrophobicContact CH2-CB 3.95Å; W750-H754 HydrophobicContact CZ2-CB 4.03Å; W750-H754 AromaticContact CZ2-CG 3.95Å; W750-H754 HydrophobicContact CZ3-CB 4.02Å; W750-H754 AromaticContact NE1-CE1 3.79Å; W750-H754 AromaticContact NE1-ND1 3.73Å; W750-H754 WeakPolarHBondContact O-CB 3.37Å; W750-H754 PolarHBondContact O-N 3.05Å; W750-H754 PolarHBondContact O-ND1 3.26Å; I751-H754 CarbonylContact O-C 3.57Å
755P63.8Low58.4Low95 Ų95104.9 Ų104.962%0.61756%0.556SS**  trans-59.4145.2172.126.7-33000110.1E757P755-E757 PolarHBondContact O-N 3.28Å
756E52.5Low55.9Low95 Ų95106.4 Ų106.444%0.44457%0.565SS.*  trans-48.9122.2-174.5-73.1-177.3151.500112.3H732 E758H732-E756 HydrophobicContact CB-CG 4.32Å; E756-E758 PolarHBondContact O-N 3.08Å
757E40.8Very low53.4Low163 Ų163102.8 Ų102.876%0.76257%0.569SS**  trans-71.7108.4146.2-68.2178.5174.800105.3P755 E759P755-E757 PolarHBondContact O-N 3.28Å; E757-E759 VanDerWaalsContact C-N 3.35Å; E757-E759 PolarHBondContact O-N 3.41Å
758E38.3Very low50.8Low176 Ų176110.1 Ų110.182%0.82261%0.608SS**  trans-61.2101.6170-76.2-177167.900107.6E756 S760E756-E758 PolarHBondContact O-N 3.08Å; E758-S760 PolarHBondContact O-N 3.38Å
759E34.3Very low48.2Very low141 Ų141114.8 Ų114.866%0.65964%0.637SS**  trans-57.1109.1169.1-76.7171140.900107.9R735 E757 D761R735-E759 IonicContact CZ-OE2 3.77Å; R735-E759 IonicContact NH1-OE2 2.88Å; R735-E759 IonicContact NH2-OE2 3.88Å; R735-E759 PolarHBondContact NH2-OE2 2.81Å; E757-E759 VanDerWaalsContact C-N 3.35Å; E757-E759 PolarHBondContact O-N 3.41Å; E759-D761 PolarHBondContact O-N 2.86Å
760S31.6Very low45.7Very low118 Ų118119.5 Ų119.583%0.82566%0.657SS**  trans-7541.3-179.465.40000113.2E758E758-S760 PolarHBondContact O-N 3.38Å
761D31.3Very low43.8Very low160 Ų160120.9 Ų120.986%0.85668%0.675SS**  trans-111.8105.5-176.9-95.4-11.3000112.4E759E759-D761 PolarHBondContact O-N 2.86Å
762G33.4Very low41Very low66 Ų66127.8 Ų127.868%0.6871%0.712SS**SBendtrans11374.814600000116.5
763L29.6Very low38.6Very low186 Ų186130.9 Ų130.997%0.97473%0.732SS**  trans-166.659.1142.2-99.7148.7000111.7
764S27.7Very low36.2Very low116 Ų116134.1 Ų134.181%0.81175%0.745SS**  trans-130106.114958.30000104.2
765D28.2Very low33.9Very low152 Ų152133 Ų13381%0.81375%0.748SS**  176.5133.784.9-1635.8000107.6
766M29.1Very low32Very low184 Ų184137.1 Ų137.191%0.90676%0.757SS**  trans170.383.8153.2-91-102.4179.100108
767A32.1Very low30.9Very low80 Ų80137 Ų13766%0.66177%0.766SS**  trans-72.8131.5151.300000108.3
768D29.8Very low30.2Very low154 Ų154135.1 Ų135.182%0.82476%0.762SS**  -176.3121.6130-96.5-18.6000113.4
769T28.8Very low29.6Very low118 Ų118133.5 Ų133.572%0.72476%0.756SS**  trans90.185.3142.3-310000121.6
770E29.7Very low29.3Very low175 Ų175133 Ų13382%0.81876%0.757SS**  67.5167.9120.4-61.7-100.5136.100121
771P44.1Very low29.1Very low100 Ų100130.6 Ų130.665%0.64974%0.74SS**  -135.1162.4-79.638.7-19.3000112.7
772N26.2Very low28.9Very low149 Ų149130.8 Ų130.880%0.79774%0.736SS**  trans-171.3121.6137.1-127-9.1000114.7
773D24.6Very low28.6Very low131 Ų131132.1 Ų132.170%0.70174%0.735SS**  trans2.9123.2145.9-77.7-31.9000120.1
774N27.9Very low28.2Very low162 Ų162131.1 Ų131.187%0.86673%0.73SS**  -160.7100.199-105.7-24.6000112.9
775S27.2Very low28.1Very low71 Ų71130 Ų13050%0.49772%0.723SS.*  trans-5129.9139.6-154.60000118.5
776F24.2Very low28Very low183 Ų183129.2 Ų129.280%0.80372%0.723SS**  171.312288.7-106.3-70.9000111.5
777S29.2Very low27.9Very low92 Ų92128.8 Ų128.864%0.64372%0.724SS**  trans41.4143.4131.969.30000120.5
778N25.8Very low27.6Very low124 Ų124129.8 Ų129.866%0.66373%0.726SS**  cis-168.6133.426.8-134.18.3000107
779M27.2Very low27.8Very low142 Ų142128.1 Ų128.170%0.772%0.724SS**  48.2124.6103.4-77167.749.800113.7
780N27.8Very low27.6Very low129 Ų129129.8 Ų129.869%0.6973%0.728SS**  176.2161.456.1-122.910000105.7
781S27.1Very low27.6Very low68 Ų68132.7 Ų132.748%0.47673%0.732SS.*  cis158.2151.7-8.649.10000106.3
782H26.5Very low26.9Very low165 Ų165136.3 Ų136.376%0.76474%0.74SS**  trans100.593.5160-61.2-60.1000115.7
783S26.8Very low27.2Very low93 Ų93134.8 Ų134.865%0.6574%0.736SS**  82.9113.354.975.30000113
784D23Very low27.9Very low165 Ų165133.9 Ų133.988%0.88274%0.74SS**  -147.6140.3120.9-156.45.7000110.1
785S25.4Very low29.2Very low94 Ų94130.3 Ų130.366%0.65773%0.728SS**  trans-130.7121.7-162.5-60.50000108.4
786T26.1Very low31.1Very low134 Ų134129.7 Ų129.782%0.82272%0.722SS**  trans-158.9110.6150.652.60000109
787L26.9Very low33.7Very low175 Ų175130.1 Ų130.192%0.91672%0.718SS**  trans171.3127.7135-87.8158.5000109.2
788S25.9Very low36.5Very low102 Ų102127.5 Ų127.571%0.71370%0.698SS**  trans-55.4149.2-175.8-39.60000113.9
789P32.5Very low39.5Very low118 Ų118124.9 Ų124.977%0.76668%0.681SS**  trans-101.380.4167.736.8-24.5000109.8R791P789-R791 VanDerWaalsContact C-N 3.29Å; P789-R791 PolarHBondContact O-N 3.34Å
790D25.8Very low42.6Very low153 Ų153121.7 Ų121.782%0.81867%0.667SS**  trans-87.683.7152.7-75.1-31.1000106.2E792D790-E792 PolarHBondContact O-N 3.01Å
791R30.1Very low45.6Very low237 Ų237116.4 Ų116.489%0.89464%0.643SS**  trans-79.193.7168.2-97.4-179.6153.6-175.8-7.3107.2P789 T793P789-R791 VanDerWaalsContact C-N 3.29Å; P789-R791 PolarHBondContact O-N 3.34Å; R791-T793 PolarHBondContact O-N 2.87Å
792E29.3Very low48.8Very low176 Ų176115.7 Ų115.782%0.82264%0.636SS**  trans-62.9130.9162.7-72.3-177.4169.500109.8D790D790-E792 PolarHBondContact O-N 3.01Å
793T31.6Very low52Low116 Ų116107.9 Ų107.971%0.71260%0.601SS**SBendtrans-39.7146.2175.242.70000117R791 S795R791-T793 PolarHBondContact O-N 2.87Å; T793-S795 VanDerWaalsContact C-N 3.32Å; T793-S795 PolarHBondContact O-N 3.11Å
794S39.4Very low55.3Low113 Ų113110.5 Ų110.579%0.7960%0.597SS**SBendtrans50.615.714962.60000121.6
795S54.6Low58.8Low86 Ų86102.7 Ų102.760%0.60156%0.555SS**  trans-86.8141.5177.464.40000113.8T793T793-S795 VanDerWaalsContact C-N 3.32Å; T793-S795 PolarHBondContact O-N 3.11Å
796P68.3Low62.2Low58 Ų5899.5 Ų99.538%0.37753%0.53SS..  trans-59.3143.1174.623.8-32.7000110.8L463 V482 V798L463-P796 HydrophobicContact CD2-CG 4Å; V482-P796 HydrophobicContact CG2-CB 3.99Å; V482-P796 HydrophobicContact CG2-CG 3.5Å; V482-P796 VanDerWaalsContact CG2-CG 3.5Å; P796-V798 WeakPolarHBondContact O-CG2 3.49Å; P796-V798 PolarHBondContact O-N 3.23Å
797R78.5Confident65.6Low193 Ų19393.1 Ų93.173%0.72849%0.49SS*.  trans-61.8111.1-179.5-68.9-177.2-179.9178.11.9110.2R461R461-R797 WeakPolarHBondContact CD-O 3.42Å; R461-R797 PolarHBondContact NH1-O 3.25Å; R461-R797 VanDerWaalsContact NH1-O 3.08Å
798V87.3Confident68.8Low37 Ų3785.5 Ų85.522%0.22445%0.45CS..  trans-132.9133.4-179176.90000110.3R461 L463 S563 P796 D800R461-V798 HydrophobicContact CG-CG2 4.02Å; L463-V798 HydrophobicContact CD2-CG2 4.35Å; L463-V798 HydrophobicContact CG-CG2 4.09Å; S563-V798 VanDerWaalsContact OG-CG1 3.25Å; S563-V798 WeakPolarHBondContact OG-CG1 3.3Å; P796-V798 WeakPolarHBondContact O-CG2 3.49Å; P796-V798 PolarHBondContact O-N 3.23Å; V798-D800 PolarHBondContact O-N 3.13Å
799K88.8Confident72.3Confident68 Ų6880.6 Ų80.630%0.29642%0.416SS..  trans-9282.2-179.1-64.7178.5-178.6170.80111.4D342 S459 E566 R859D342-K799 IonicContact OD1-NZ 3.09Å; D342-K799 PolarHBondContact OD1-NZ 3.37Å; S459-K799 PolarHBondContact OG-NZ 3.11Å; S459-K799 VanDerWaalsContact OG-NZ 3.11Å; E566-K799 HydrophobicContact CG-CB 4.43Å; E566-K799 HydrophobicContact CG-CD 4.23Å; E566-K799 WeakPolarHBondContact OE2-CD 3.43Å; E566-K799 IonicContact OE2-NZ 2.85Å; E566-K799 PolarHBondContact OE2-NZ 3.22Å; K799-R859 PolarHBondContact O-NH1 3.29Å
800D92.4Very high75.3Confident76 Ų7675 Ų7541%0.40638%0.379SS..  trans-71.2157.1-179.1-164.123.6000113.9S563 F564 R602 V798S563-D800 WeakPolarHBondContact CA-OD1 3.21Å; S563-D800 WeakPolarHBondContact CB-OD1 3.34Å; F564-D800 PolarHBondContact N-OD1 3.46Å; R602-D800 IonicContact CZ-OD1 3.34Å; R602-D800 IonicContact CZ-OD2 3.85Å; R602-D800 VanDerWaalsContact CZ-OD2 3.31Å; R602-D800 IonicContact NH1-OD1 3.54Å; R602-D800 IonicContact NH1-OD2 3.43Å; R602-D800 PolarHBondContact NH1-OD2 3.35Å; R602-D800 IonicContact NH2-OD1 3.63Å; R602-D800 PolarHBondContact NH2-OD1 2.89Å; R602-D800 IonicContact NH2-OD2 3.48Å; R602-D800 PolarHBondContact NH2-OD2 3.01Å; V798-D800 PolarHBondContact O-N 3.13Å
801G92.1Very high78.7Confident18 Ų1867.7 Ų67.719%0.18634%0.34CS..  trans-173.9-172179.300000114.3R602R602-G801 PolarHBondContact NH2-O 3.19Å
802P93.7Very high81.8Confident52 Ų5256.4 Ų56.434%0.33830%0.298SS..  trans-65.713717727.8-34.1000110.9R804 R859P802-R804 PolarHBondContact O-N 2.91Å; P802-R859 VanDerWaalsContact O-CD 3.22Å; P802-R859 WeakPolarHBondContact O-CD 3.31Å; P802-R859 WeakPolarHBondContact O-CG 3.29Å
803G93.6Very high84.6Confident2 Ų248.6 Ų48.62%0.02126%0.261CS..SBendtrans-75.838.9179.500000114.3L598L598-G803 PolarHBondContact N-O 3.4Å
804R96.1Very high86.9Confident148 Ų14843.1 Ų43.156%0.55823%0.227SC*.EExtended strand (participates in β ladder)trans-112.6129.4179.6-69-176.7177.6168.34.8110.1L596 D597 P802 R859 L860L596-R804 CarbonylContact O-C 3.46Å; L596-R804 WeakPolarHBondContact O-CA 3.26Å; D597-R804 HydrophobicContact CB-CG 4.5Å; D597-R804 IonicContact OD2-NE 3.38Å; D597-R804 PolarHBondContact OD2-NE 3.41Å; P802-R804 PolarHBondContact O-N 2.91Å; R804-R859 CarbonylContact O-C 3.51Å; R804-R859 WeakPolarHBondContact O-CA 3.46Å; R804-L860 HydrophobicContact CB-CB 4.49Å; R804-L860 PolarHBondContact O-N 3.19Å
805Y96.6Very high88.2Confident1 Ų138.1 Ų38.10%0.00419%0.194CC..EExtended strand (participates in β ladder)trans-136155.4-169.6-64.8-89.9000113F564 P565 L568 F595 L596 L598 R858 R859F564-Y805 VanDerWaalsContact CB-OH 3.29Å; F564-Y805 WeakPolarHBondContact CB-OH 3.5Å; F564-Y805 HydrophobicContact CD1-CE2 4.36Å; P565-Y805 VanDerWaalsContact CD-OH 3.25Å; P565-Y805 WeakPolarHBondContact CD-OH 3.41Å; P565-Y805 VanDerWaalsContact O-CE1 3.31Å; P565-Y805 WeakPolarHBondContact O-CE1 3.45Å; P565-Y805 PolarHBondContact O-OH 3.37Å; L568-Y805 HydrophobicContact CB-CD1 4.02Å; L568-Y805 HydrophobicContact CB-CE1 3.66Å; L568-Y805 HydrophobicContact CB-CE2 4.48Å; L568-Y805 HydrophobicContact CD2-CD2 4.43Å; L568-Y805 HydrophobicContact CD2-CE2 4.3Å; F595-Y805 WeakPolarHBondContact CA-O 3.28Å; L596-Y805 PolarHBondContact N-O 3.39Å; L596-Y805 PolarHBondContact O-N 3.04Å; L598-Y805 HydrophobicContact CD1-CE2 4.37Å; Y805-R858 CarbonylContact C-O 3.6Å; Y805-R858 VanDerWaalsContact CA-O 3.31Å; Y805-R858 WeakPolarHBondContact CA-O 3.5Å; Y805-R859 HydrophobicContact CD1-CB 4Å; Y805-R859 HydrophobicContact CE1-CB 3.72Å; Y805-R859 HydrophobicContact CE1-CG 4.25Å
806E96.5Very high88.7Confident27 Ų2738.5 Ų38.513%0.12620%0.202CC..EExtended strand (participates in β ladder)trans-120.3137.2169.2-179.1-170.7-162.100109.6D594 F595 F808 K828 Y857 R858 L860D594-E806 CarbonylContact O-C 3.53Å; D594-E806 VanDerWaalsContact O-CA 3.31Å; D594-E806 WeakPolarHBondContact O-CA 3.25Å; F595-E806 HydrophobicContact CD1-CB 4.29Å; F595-E806 HydrophobicContact CD1-CG 4.39Å; F595-E806 HydrophobicContact CE1-CB 4.21Å; F595-E806 HydrophobicContact CE1-CG 4Å; E806-F808 PolarHBondContact O-N 3.12Å; E806-K828 IonicContact OE1-NZ 2.73Å; E806-K828 PolarHBondContact OE1-NZ 2.72Å; E806-Y857 CarbonylContact O-C 3.57Å; E806-Y857 WeakPolarHBondContact O-CA 3.47Å; E806-R858 PolarHBondContact N-O 3.06Å; E806-R858 PolarHBondContact O-N 3.23Å; E806-R858 IonicContact OE2-CZ 3.71Å; E806-R858 IonicContact OE2-NH2 2.84Å; E806-R858 PolarHBondContact OE2-NH2 2.9Å; E806-L860 HydrophobicContact CB-CD2 3.91Å; E806-L860 HydrophobicContact CB-CG 4.31Å
807L96.8Very high88.7Confident0 Ų037.9 Ų37.90%020%0.199CC..EExtended strand (participates in β ladder)trans-63122.6177.1-174.866.1000110.6D594 I810 W833 K849 Y855 Y857D594-L807 PolarHBondContact O-N 2.77Å; L807-I810 HydrophobicContact CD1-CG1 4.36Å; L807-I810 HydrophobicContact CD2-CD1 4.1Å; L807-I810 HydrophobicContact CD2-CG1 4.21Å; L807-W833 HydrophobicContact CD2-CH2 3.93Å; L807-W833 HydrophobicContact CD2-CZ2 4.07Å; L807-W833 HydrophobicContact CG-CH2 3.92Å; L807-W833 HydrophobicContact CG-CZ2 4.27Å; L807-K849 HydrophobicContact CD2-CD 4.05Å; L807-K849 HydrophobicContact CD2-CG 4.35Å; L807-Y855 HydrophobicContact CD1-CD1 4.05Å; L807-Y857 HydrophobicContact CB-CD1 4.29Å; L807-Y857 HydrophobicContact CB-CE1 3.95Å; L807-Y857 HydrophobicContact CD1-CD1 4.48Å; L807-Y857 HydrophobicContact CD1-CD2 4.25Å; L807-Y857 HydrophobicContact CD1-CE1 4.16Å; L807-Y857 HydrophobicContact CD1-CE2 3.92Å
808F95.9Very high88.3Confident14 Ų1431 Ų316%0.06118%0.179CC..EExtended strand (participates in β ladder)trans-109.6-46.4-173163.4-104.5000112.6V336 S339 I340 Y567 E806 I827 K828 F856 R858V336-F808 HydrophobicContact CG1-CE1 4.32Å; S339-F808 WeakPolarHBondContact O-CZ 3.44Å; I340-F808 HydrophobicContact CG1-CE1 3.86Å; I340-F808 HydrophobicContact CG1-CZ 4.19Å; Y567-F808 HydrophobicContact CD1-CD1 4.22Å; Y567-F808 AromaticContact CE1-CD1 3.99Å; Y567-F808 HydrophobicContact CE1-CD1 3.99Å; Y567-F808 HydrophobicContact CE1-CE1 4.18Å; Y567-F808 HydrophobicContact CE1-CG 4.17Å; E806-F808 PolarHBondContact O-N 3.12Å; F808-I827 HydrophobicContact CE2-CG2 4.24Å; F808-I827 HydrophobicContact CZ-CG2 4.1Å; F808-K828 WeakPolarHBondContact O-CB 3.33Å; F808-K828 PolarHBondContact O-N 3.25Å; F808-F856 WeakPolarHBondContact CA-O 3.19Å; F808-F856 WeakPolarHBondContact CB-O 3.36Å; F808-F856 HydrophobicContact CD1-CB 3.99Å; F808-F856 PolarHBondContact N-O 3.31Å; F808-R858 HydrophobicContact CB-CB 4Å
809A97.6Very high87.3Confident0 Ų037.2 Ų37.20%021%0.207CC..EExtended strand (participates in β ladder)trans-149.2158179.800000112.6V336 H826 I827 F856V336-A809 HydrophobicContact CG1-CB 3.98Å; V336-A809 HydrophobicContact CG2-CB 4.01Å; A809-H826 CarbonylContact C-O 3.57Å; A809-H826 WeakPolarHBondContact CA-O 3.48Å; A809-I827 HydrophobicContact CB-CB 4.45Å; A809-I827 HydrophobicContact CB-CG1 4.09Å; A809-I827 HydrophobicContact CB-CG2 4.34Å; A809-F856 HydrophobicContact CB-CB 4.09Å; A809-F856 HydrophobicContact CB-CD2 4.27Å; A809-F856 HydrophobicContact CB-CG 4.46Å; A809-F856 PolarHBondContact N-O 3.39Å; A809-F856 VanDerWaalsContact N-O 3.13Å; A809-F856 PolarHBondContact O-N 2.83Å
810I97.4Very high86.3Confident0 Ų036.8 Ų36.80%021%0.213CC..EExtended strand (participates in β ladder)trans-135.9130.1-179.6-51.5156.3000107.8L807 C825 H826 W833 K849 Y855L807-I810 HydrophobicContact CD1-CG1 4.36Å; L807-I810 HydrophobicContact CD2-CD1 4.1Å; L807-I810 HydrophobicContact CD2-CG1 4.21Å; I810-C825 CarbonylContact O-C 3.59Å; I810-C825 WeakPolarHBondContact O-CA 3.39Å; I810-C825 WeakPolarHBondContact O-CB 3.33Å; I810-H826 HydrophobicContact CB-CB 4.38Å; I810-H826 HydrophobicContact CD1-CB 4.42Å; I810-H826 PolarHBondContact N-O 3.16Å; I810-H826 PolarHBondContact O-N 3.19Å; I810-W833 HydrophobicContact CD1-CH2 3.87Å; I810-W833 HydrophobicContact CD1-CZ3 3.9Å; I810-W833 HydrophobicContact CG1-CH2 4.2Å; I810-W833 HydrophobicContact CG1-CZ3 4.22Å; I810-K849 HydrophobicContact CD1-CB 4.29Å; I810-K849 HydrophobicContact CD1-CG 3.94Å; I810-Y855 HydrophobicContact CB-CD1 4.44Å; I810-Y855 HydrophobicContact CG1-CD1 3.93Å; I810-Y855 HydrophobicContact CG1-CE1 4.17Å; I810-Y855 HydrophobicContact CG2-CD1 4.01Å; I810-Y855 HydrophobicContact CG2-CE1 3.77Å
811I97.1Very high85.5Confident0 Ų033.8 Ų33.80%020%0.2CC..EExtended strand (participates in β ladder)trans-105.6125.9165.9-60.1178.4000107.4V333 V336 A435 Y823 C825 Y853 I854 F856V333-I811 HydrophobicContact CG2-CD1 4Å; V336-I811 HydrophobicContact CG2-CD1 4.17Å; V336-I811 HydrophobicContact CG2-CG1 4.02Å; A435-I811 HydrophobicContact CB-CG2 4.19Å; I811-Y823 HydrophobicContact CG2-CD1 3.77Å; I811-Y823 HydrophobicContact CG2-CE1 4.29Å; I811-C825 HydrophobicContact CG1-CB 4.03Å; I811-Y853 WeakPolarHBondContact O-CA 3.47Å; I811-Y853 WeakPolarHBondContact O-CB 3.34Å; I811-Y853 PolarHBondContact O-N 2.76Å; I811-I854 HydrophobicContact CB-CB 4.21Å; I811-I854 HydrophobicContact CD1-CD1 4.46Å; I811-I854 PolarHBondContact N-O 3.25Å; I811-I854 PolarHBondContact O-N 2.71Å; I811-I854 VanDerWaalsContact O-N 3.1Å; I811-F856 HydrophobicContact CD1-CE2 3.76Å; I811-F856 HydrophobicContact CD1-CZ 4.25Å; I811-F856 HydrophobicContact CG1-CE2 4.06Å
812S93.4Very high85.1Confident0 Ų034.1 Ų34.10%020%0.197CC..EExtended strand (participates in β ladder)trans-117130.2-177.1-54.70000110.5Y823 V824S812-Y823 WeakPolarHBondContact O-CA 3.47Å; S812-V824 PolarHBondContact N-O 3.07Å; S812-V824 PolarHBondContact O-N 3.28Å; S812-V824 VanDerWaalsContact O-N 3.13Å
813H88.9Confident84.9Confident12 Ų1232.1 Ų32.16%0.05618%0.183CC..EExtended strand (participates in β ladder)trans-95113.2170.7179.7-106.3000110.1K585 S817 G821 Y823K585-H813 PolarHBondContact NZ-O 2.93Å; H813-S817 PolarHBondContact CE1-O 2.85Å; H813-G821 WeakPolarHBondContact NE2-CA 3.36Å; H813-Y823 HydrophobicContact CB-CD1 4.11Å; H813-Y823 HydrophobicContact CB-CE1 3.53Å; H813-Y823 AromaticContact CD2-CE1 3.84Å; H813-Y823 AromaticContact CD2-CE2 3.63Å; H813-Y823 AromaticContact CD2-CZ 3.45Å; H813-Y823 VanDerWaalsContact CD2-CZ 3.45Å; H813-Y823 AromaticContact CG-CZ 3.99Å
814M79.6Confident84.9Confident0 Ų032 Ų320%018%0.182CC..EExtended strand (participates in β ladder)trans-93.3126.3177.3-57.4-178.2-70.800110.2W300 I303 Q304 G821 H822 V824W300-M814 HydrophobicContact CD2-CB 4.26Å; W300-M814 HydrophobicContact CD2-SD 4.49Å; W300-M814 HydrophobicContact CE3-CE 4.2Å; W300-M814 HydrophobicContact CE3-SD 4.34Å; W300-M814 HydrophobicContact CZ2-CB 4.43Å; W300-M814 HydrophobicContact CZ3-CE 4.22Å; I303-M814 HydrophobicContact CB-CG 4.02Å; I303-M814 HydrophobicContact CB-SD 3.75Å; I303-M814 HydrophobicContact CD1-CG 3.68Å; I303-M814 HydrophobicContact CG1-CG 4.44Å; I303-M814 HydrophobicContact CG2-CG 3.76Å; I303-M814 HydrophobicContact CG2-SD 3.47Å; I303-M814 WeakPolarHBondContact CG2-SD 3.47Å; Q304-M814 HydrophobicContact CG-CE 4.37Å; Q304-M814 HydrophobicContact CG-SD 3.9Å; M814-G821 CarbonylContact O-C 3.56Å; M814-G821 WeakPolarHBondContact O-CA 3.42Å; M814-H822 WeakPolarHBondContact CB-O 3.18Å; M814-H822 HydrophobicContact CE-CB 3.83Å; M814-H822 WeakPolarHBondContact CE-CD2 3.46Å; M814-H822 PolarHBondContact N-O 3.49Å; M814-H822 PolarHBondContact O-N 2.92Å; M814-V824 HydrophobicContact CE-CB 4.41Å; M814-V824 HydrophobicContact CE-CG1 3.55Å; M814-V824 HydrophobicContact CE-CG2 4.09Å; M814-V824 HydrophobicContact SD-CG2 4.21Å
815G67.1Low84.9Confident8 Ų825 Ų258%0.08216%0.155CC..SBendtrans135.4144.817900000112.3E299 K585E299-G815 PolarHBondContact OE2-N 3.36Å; K585-G815 WeakPolarHBondContact CD-O 3.29Å; K585-G815 WeakPolarHBondContact CE-O 3.17Å; K585-G815 PolarHBondContact NZ-O 2.83Å
816A64.3Low85Confident94 Ų9425 Ų2578%0.77716%0.155SC*.SBendtrans-81.6-15.2-17800000113.7
817S69.9Low85Confident46 Ų4623.7 Ų23.732%0.32215%0.149SC..  trans-89.2154-178.8-173.60000111.7H813 M819H813-S817 PolarHBondContact CE1-O 2.85Å; S817-M819 PolarHBondContact OG-N 3Å
818T69.5Low84.9Confident49 Ų4926 Ų2630%0.30116%0.159SC..SBendtrans-82.4-23.2166.649.60000112.1F575 P583 K585F575-T818 HydrophobicContact CD1-CG2 3.89Å; F575-T818 HydrophobicContact CE1-CG2 4.39Å; P583-T818 HydrophobicContact CB-CG2 4.11Å; P583-T818 WeakPolarHBondContact O-CG2 3.36Å; P583-T818 PolarHBondContact O-OG1 2.87Å; P583-T818 VanDerWaalsContact O-OG1 3.07Å; K585-T818 HydrophobicContact CB-CG2 4.12Å; K585-T818 VanDerWaalsContact N-CG2 3.27Å
819M65.1Low84.7Confident166 Ų16626.7 Ų26.782%0.81816%0.162SC*.SBendtrans-95.5-12.9-176.6-59.2-179.568.900112.9S817S817-M819 PolarHBondContact OG-N 3Å
820S69.2Low84.3Confident60 Ų6034 Ų3442%0.4220%0.196SC..  trans-149.5152.117759.80000115
821G75Confident83.8Confident13 Ų1336.9 Ų36.913%0.13423%0.225CC..  trans169.6-167.617400000112.5Q432 H813 M814Q432-G821 PolarHBondContact OE1-O 2.96Å; H813-G821 WeakPolarHBondContact NE2-CA 3.36Å; M814-G821 CarbonylContact O-C 3.56Å; M814-G821 WeakPolarHBondContact O-CA 3.42Å
822H83.1Confident83.6Confident24 Ų2443.5 Ų43.511%0.11125%0.25CS..EExtended strand (participates in β ladder)trans-133.1137.7179-175.349.2000111.1W300 C328 M814 N837 D838W300-H822 HydrophobicContact CH2-CB 3.36Å; W300-H822 HydrophobicContact CZ2-CB 4.08Å; W300-H822 HydrophobicContact CZ3-CB 3.84Å; C328-H822 VanDerWaalsContact CB-CE1 3.42Å; C328-H822 WeakPolarHBondContact CB-CE1 3.37Å; C328-H822 WeakPolarHBondContact CB-ND1 3.49Å; C328-H822 PolarHBondContact SG-ND1 2.81Å; M814-H822 WeakPolarHBondContact CB-O 3.18Å; M814-H822 HydrophobicContact CE-CB 3.83Å; M814-H822 WeakPolarHBondContact CE-CD2 3.46Å; M814-H822 PolarHBondContact N-O 3.49Å; M814-H822 PolarHBondContact O-N 2.92Å; H822-N837 PolarHBondContact NE2-OD1 2.84Å; H822-D838 IonicContact CE1-OD1 2.71Å; H822-D838 IonicContact CE1-OD2 3.02Å; H822-D838 PolarHBondContact CE1-OD2 3.28Å; H822-D838 IonicContact NE2-OD2 3.36Å
823Y90.8Very high83.7Confident11 Ų1144.6 Ų44.64%0.04326%0.255CS..EExtended strand (participates in β ladder)trans-100.7132.2-178.6-79-75.8000111.2C328 Q433 D434 A435 I811 S812 H813 Y853C328-Y823 PolarHBondContact SG-N 2.94Å; C328-Y823 VanDerWaalsContact SG-N 3.44Å; Q433-Y823 WeakPolarHBondContact O-CE2 3.42Å; D434-Y823 PolarHBondContact OD2-OH 2.96Å; A435-Y823 HydrophobicContact CB-CD1 3.93Å; A435-Y823 HydrophobicContact CB-CE1 3.55Å; A435-Y823 HydrophobicContact CB-CE2 4.25Å; A435-Y823 HydrophobicContact CB-CG 4.4Å; A435-Y823 PolarHBondContact N-OH 3.09Å; I811-Y823 HydrophobicContact CG2-CD1 3.77Å; I811-Y823 HydrophobicContact CG2-CE1 4.29Å; S812-Y823 WeakPolarHBondContact O-CA 3.47Å; H813-Y823 HydrophobicContact CB-CD1 4.11Å; H813-Y823 HydrophobicContact CB-CE1 3.53Å; H813-Y823 AromaticContact CD2-CE1 3.84Å; H813-Y823 AromaticContact CD2-CE2 3.63Å; H813-Y823 AromaticContact CD2-CZ 3.45Å; H813-Y823 VanDerWaalsContact CD2-CZ 3.45Å; H813-Y823 AromaticContact CG-CZ 3.99Å; Y823-Y853 AromaticContact CE1-CD1 3.89Å; Y823-Y853 HydrophobicContact CE1-CD1 3.89Å; Y823-Y853 HydrophobicContact CE1-CE1 4.38Å
824V92.8Very high84Confident0 Ų044 Ų440%025%0.252CS..EExtended strand (participates in β ladder)trans-128.9158.7166.1-64.90000109.8I303 T332 S812 M814 N837I303-V824 HydrophobicContact CG2-CG2 3.32Å; T332-V824 VanDerWaalsContact CG2-CA 3.49Å; S812-V824 PolarHBondContact N-O 3.07Å; S812-V824 PolarHBondContact O-N 3.28Å; S812-V824 VanDerWaalsContact O-N 3.13Å; M814-V824 HydrophobicContact CE-CB 4.41Å; M814-V824 HydrophobicContact CE-CG1 3.55Å; M814-V824 HydrophobicContact CE-CG2 4.09Å; M814-V824 HydrophobicContact SD-CG2 4.21Å; V824-N837 HydrophobicContact CG1-CB 3.71Å; V824-N837 VanDerWaalsContact CG1-CG 3.5Å
825C97Very high84.6Confident0 Ų044.4 Ų44.40%025%0.254CS..EExtended strand (participates in β ladder)trans-127.8146.1171.870.10000112.2T332 V336 I810 I811 Y836T332-C825 HydrophobicContact CG2-CB 4.01Å; V336-C825 HydrophobicContact CG2-CB 4.15Å; I810-C825 CarbonylContact O-C 3.59Å; I810-C825 WeakPolarHBondContact O-CA 3.39Å; I810-C825 WeakPolarHBondContact O-CB 3.33Å; I811-C825 HydrophobicContact CG1-CB 4.03Å; C825-Y836 PolarHBondContact N-O 3.5Å; C825-Y836 PolarHBondContact O-N 3.16Å
826H97.3Very high85.9Confident0 Ų044.2 Ų44.20%025%0.251CS..EExtended strand (participates in β ladder)trans-112.3127.3173-67.878.4000107.8I303 A809 I810 W833 V834 S844 P848I303-H826 PolarHBondContact O-CE1 3.1Å; A809-H826 CarbonylContact C-O 3.57Å; A809-H826 WeakPolarHBondContact CA-O 3.48Å; I810-H826 HydrophobicContact CB-CB 4.38Å; I810-H826 HydrophobicContact CD1-CB 4.42Å; I810-H826 PolarHBondContact N-O 3.16Å; I810-H826 PolarHBondContact O-N 3.19Å; H826-W833 HydrophobicContact CB-CE3 3.86Å; H826-W833 HydrophobicContact CB-CZ3 4.03Å; H826-V834 CarbonylContact C-O 3.6Å; H826-V834 VanDerWaalsContact CA-O 3.29Å; H826-V834 WeakPolarHBondContact CA-O 3.25Å; H826-S844 PolarHBondContact CD2-OG 3.37Å; H826-P848 VanDerWaalsContact CE1-CD 3.47Å; H826-P848 WeakPolarHBondContact CE1-CD 3.33Å; H826-P848 WeakPolarHBondContact NE2-CD 3.26Å
827I97.2Very high87.1Confident0 Ų040.8 Ų40.80%022%0.219CC..EExtended strand (participates in β ladder)trans-127.9132.1-178-50.9178.6000108.8Q335 V336 F808 A809 K829 V834 Y836Q335-I827 HydrophobicContact CB-CD1 4.04Å; Q335-I827 WeakPolarHBondContact O-CD1 3.44Å; V336-I827 HydrophobicContact CG2-CD1 4.04Å; V336-I827 HydrophobicContact CG2-CG1 4.24Å; F808-I827 HydrophobicContact CE2-CG2 4.24Å; F808-I827 HydrophobicContact CZ-CG2 4.1Å; A809-I827 HydrophobicContact CB-CB 4.45Å; A809-I827 HydrophobicContact CB-CG1 4.09Å; A809-I827 HydrophobicContact CB-CG2 4.34Å; I827-K829 HydrophobicContact CG2-CG 4.03Å; I827-K829 PolarHBondContact O-N 3.03Å; I827-V834 PolarHBondContact N-O 3.36Å; I827-V834 PolarHBondContact O-N 3.16Å; I827-Y836 HydrophobicContact CB-CE2 4.1Å; I827-Y836 HydrophobicContact CD1-CD2 3.97Å; I827-Y836 HydrophobicContact CD1-CE2 3.89Å; I827-Y836 HydrophobicContact CG1-CD2 4.13Å; I827-Y836 HydrophobicContact CG1-CE2 4.12Å
828K95.3Very high88Confident49 Ų4939.4 Ų39.421%0.21321%0.209CC..EExtended strand (participates in β ladder)trans-83.5108.3175.5-166179.2-175-178.60109.7E806 F808 R832 W833E806-K828 IonicContact OE1-NZ 2.73Å; E806-K828 PolarHBondContact OE1-NZ 2.72Å; F808-K828 WeakPolarHBondContact O-CB 3.33Å; F808-K828 PolarHBondContact O-N 3.25Å; K828-R832 CarbonylContact C-O 3.57Å; K828-R832 WeakPolarHBondContact CA-O 3.38Å; K828-W833 HydrophobicContact CB-CD2 4.12Å; K828-W833 HydrophobicContact CB-CE3 4.17Å; K828-W833 HydrophobicContact CB-CH2 4.2Å; K828-W833 HydrophobicContact CB-CZ2 4.13Å; K828-W833 HydrophobicContact CB-CZ3 4.22Å; K828-W833 HydrophobicContact CD-CZ2 4.26Å; K828-W833 HydrophobicContact CG-CD2 4.48Å
829K91.8Very high88.6Confident29 Ų2939 Ų3913%0.12620%0.203CC..EExtended strand (participates in β ladder)trans-119.6130.4177.3-62.5-168.1178.6-171.50109.9G317 Y318 S339 I827 G831 R832 V834 Y836G317-K829 PolarHBondContact O-NZ 3.46Å; Y318-K829 HydrophobicContact CE1-CD 4.45Å; S339-K829 WeakPolarHBondContact OG-CE 3.48Å; S339-K829 PolarHBondContact OG-NZ 3.31Å; S339-K829 VanDerWaalsContact OG-NZ 3.13Å; I827-K829 HydrophobicContact CG2-CG 4.03Å; I827-K829 PolarHBondContact O-N 3.03Å; K829-G831 PolarHBondContact O-N 3.48Å; K829-G831 VanDerWaalsContact O-N 3.13Å; K829-R832 PolarHBondContact N-O 3.38Å; K829-R832 PolarHBondContact O-N 3.12Å; K829-V834 HydrophobicContact CB-CG2 4.38Å; K829-Y836 VanDerWaalsContact CE-OH 3.25Å; K829-Y836 WeakPolarHBondContact CE-OH 3.38Å; K829-Y836 PolarHBondContact NZ-OH 3.15Å
830E87.8Confident89.5Confident153 Ų15336.1 Ų36.172%0.71519%0.186SC*.THydrogen-bonded Turntrans51.138.3180-54-179.1170.100113.4R832E830-R832 VanDerWaalsContact C-N 3.25Å; E830-R832 PolarHBondContact O-N 2.93Å; E830-R832 IonicContact OE2-NH2 3.8Å
831G87.7Confident90.5Very high60 Ų6033.4 Ų33.462%0.61917%0.167SC*.THydrogen-bonded Turntrans77.1-0.9-178.700000115.7K829K829-G831 PolarHBondContact O-N 3.48Å; K829-G831 VanDerWaalsContact O-N 3.13Å
832R92.9Very high91.1Very high139 Ų13934.1 Ų34.153%0.52517%0.169SC..EExtended strand (participates in β ladder)trans-115148.7179.6-69.9177.9-81.6-175.2-1.9111.5K828 K829 E830 L843K828-R832 CarbonylContact C-O 3.57Å; K828-R832 WeakPolarHBondContact CA-O 3.38Å; K829-R832 PolarHBondContact N-O 3.38Å; K829-R832 PolarHBondContact O-N 3.12Å; E830-R832 VanDerWaalsContact C-N 3.25Å; E830-R832 PolarHBondContact O-N 2.93Å; E830-R832 IonicContact OE2-NH2 3.8Å; R832-L843 HydrophobicContact CB-CD2 4.46Å
833W95.4Very high91.3Very high24 Ų2434.1 Ų34.19%0.09117%0.17CC..EExtended strand (participates in β ladder)trans-86.8140.7176.9-73.895.9000111.1L807 I810 H826 K828 S844 P847L807-W833 HydrophobicContact CD2-CH2 3.93Å; L807-W833 HydrophobicContact CD2-CZ2 4.07Å; L807-W833 HydrophobicContact CG-CH2 3.92Å; L807-W833 HydrophobicContact CG-CZ2 4.27Å; I810-W833 HydrophobicContact CD1-CH2 3.87Å; I810-W833 HydrophobicContact CD1-CZ3 3.9Å; I810-W833 HydrophobicContact CG1-CH2 4.2Å; I810-W833 HydrophobicContact CG1-CZ3 4.22Å; H826-W833 HydrophobicContact CB-CE3 3.86Å; H826-W833 HydrophobicContact CB-CZ3 4.03Å; K828-W833 HydrophobicContact CB-CD2 4.12Å; K828-W833 HydrophobicContact CB-CE3 4.17Å; K828-W833 HydrophobicContact CB-CH2 4.2Å; K828-W833 HydrophobicContact CB-CZ2 4.13Å; K828-W833 HydrophobicContact CB-CZ3 4.22Å; K828-W833 HydrophobicContact CD-CZ2 4.26Å; K828-W833 HydrophobicContact CG-CD2 4.48Å; W833-S844 PolarHBondContact O-N 2.84Å; W833-P847 HydrophobicContact CB-CB 4.41Å; W833-P847 HydrophobicContact CB-CG 4.22Å; W833-P847 HydrophobicContact CD2-CB 4.1Å; W833-P847 HydrophobicContact CD2-CG 3.89Å; W833-P847 HydrophobicContact CE3-CB 4.31Å; W833-P847 HydrophobicContact CG-CB 4.16Å; W833-P847 HydrophobicContact CG-CG 3.7Å
834V94.4Very high91.3Very high0 Ų034 Ų340%017%0.171CC..EExtended strand (participates in β ladder)trans-131.4126.3-178.9-1730000107.6V313 Y318 H826 I827 K829 Y836 V841 C842 L843V313-V834 HydrophobicContact CG2-CG1 4.1Å; Y318-V834 HydrophobicContact CD1-CG1 4.19Å; Y318-V834 HydrophobicContact CD1-CG2 4.49Å; Y318-V834 HydrophobicContact CE1-CG1 4.31Å; Y318-V834 HydrophobicContact CE1-CG2 3.8Å; H826-V834 CarbonylContact C-O 3.6Å; H826-V834 VanDerWaalsContact CA-O 3.29Å; H826-V834 WeakPolarHBondContact CA-O 3.25Å; I827-V834 PolarHBondContact N-O 3.36Å; I827-V834 PolarHBondContact O-N 3.16Å; K829-V834 HydrophobicContact CB-CG2 4.38Å; V834-Y836 HydrophobicContact CB-CD2 4.45Å; V834-Y836 HydrophobicContact CB-CE2 3.77Å; V834-Y836 HydrophobicContact CG1-CD2 4.12Å; V834-Y836 HydrophobicContact CG1-CE2 3.51Å; V834-V841 HydrophobicContact CG1-CG1 3.59Å; V834-C842 CarbonylContact C-O 3.54Å; V834-C842 WeakPolarHBondContact CA-O 3.12Å; V834-C842 WeakPolarHBondContact CG1-O 3.47Å; V834-L843 HydrophobicContact CG2-CD2 4.23Å
835I93.8Very high90.9Very high8 Ų840.6 Ų40.64%0.04120%0.202CC..EExtended strand (participates in β ladder)trans-89.8129.5171.8-175.3175000109.4L310 V841 C842L310-I835 HydrophobicContact CD1-CG2 3.9Å; I835-V841 WeakPolarHBondContact O-CA 3.48Å; I835-C842 HydrophobicContact CG2-CB 3.83Å; I835-C842 WeakPolarHBondContact CG2-O 3.38Å; I835-C842 PolarHBondContact N-O 2.95Å; I835-C842 PolarHBondContact O-N 2.92Å; I835-C842 VanDerWaalsContact O-N 3.08Å
836Y93.2Very high90.3Very high3 Ų349.5 Ų49.51%0.01224%0.235CC..EExtended strand (participates in β ladder)trans-111.8108.9170.3-63.5-99.1000108G317 Q335 C825 I827 K829 V834 V841G317-Y836 PolarHBondContact O-OH 3.08Å; Q335-Y836 VanDerWaalsContact CD-CD1 3.45Å; Q335-Y836 HydrophobicContact CG-CD1 4.15Å; Q335-Y836 HydrophobicContact CG-CG 4.28Å; C825-Y836 PolarHBondContact N-O 3.5Å; C825-Y836 PolarHBondContact O-N 3.16Å; I827-Y836 HydrophobicContact CB-CE2 4.1Å; I827-Y836 HydrophobicContact CD1-CD2 3.97Å; I827-Y836 HydrophobicContact CD1-CE2 3.89Å; I827-Y836 HydrophobicContact CG1-CD2 4.13Å; I827-Y836 HydrophobicContact CG1-CE2 4.12Å; K829-Y836 VanDerWaalsContact CE-OH 3.25Å; K829-Y836 WeakPolarHBondContact CE-OH 3.38Å; K829-Y836 PolarHBondContact NZ-OH 3.15Å; V834-Y836 HydrophobicContact CB-CD2 4.45Å; V834-Y836 HydrophobicContact CB-CE2 3.77Å; V834-Y836 HydrophobicContact CG1-CD2 4.12Å; V834-Y836 HydrophobicContact CG1-CE2 3.51Å; Y836-V841 HydrophobicContact CD1-CB 4.34Å; Y836-V841 HydrophobicContact CD1-CG1 3.71Å; Y836-V841 HydrophobicContact CD1-CG2 3.72Å; Y836-V841 HydrophobicContact CE1-CB 4.42Å; Y836-V841 HydrophobicContact CE1-CG1 3.47Å; Y836-V841 VanDerWaalsContact CE1-CG1 3.47Å; Y836-V841 HydrophobicContact CE1-CG2 4.01Å; Y836-V841 HydrophobicContact CG-CG1 4.34Å
837N89.2Confident89.9Confident22 Ų2250.4 Ų50.412%0.11824%0.242CC..EExtended strand (participates in β ladder)trans-119.689.3176-176.4-4.6000108H822 V824 H839 K840H822-N837 PolarHBondContact NE2-OD1 2.84Å; V824-N837 HydrophobicContact CG1-CB 3.71Å; V824-N837 VanDerWaalsContact CG1-CG 3.5Å; N837-H839 PolarHBondContact O-N 3.19Å; N837-H839 VanDerWaalsContact O-N 3.12Å; N837-K840 PolarHBondContact N-O 3.38Å; N837-K840 WeakPolarHBondContact O-CB 3.41Å; N837-K840 PolarHBondContact O-N 2.93Å
838D88.9Confident89.4Confident18 Ų1850.6 Ų50.610%0.09624%0.243CC..THydrogen-bonded Turntrans49.5-115.6-170.8-61.5-27.9000111.3G320 I321 N323 H822 K840G320-D838 CarbonylContact C-O 3.58Å; G320-D838 WeakPolarHBondContact CA-O 3.18Å; I321-D838 PolarHBondContact N-O 3.49Å; I321-D838 CarbonylContact O-C 3.58Å; I321-D838 WeakPolarHBondContact O-CA 3.48Å; I321-D838 WeakPolarHBondContact O-CB 3.38Å; N323-D838 HydrophobicContact CB-CB 4.37Å; N323-D838 WeakPolarHBondContact CB-OD2 3.25Å; N323-D838 PolarHBondContact ND2-OD2 3.07Å; H822-D838 IonicContact CE1-OD1 2.71Å; H822-D838 IonicContact CE1-OD2 3.02Å; H822-D838 PolarHBondContact CE1-OD2 3.28Å; H822-D838 IonicContact NE2-OD2 3.36Å; D838-K840 VanDerWaalsContact C-N 3.3Å; D838-K840 PolarHBondContact O-N 3.41Å
839H83.3Confident89.2Confident40 Ų4050.6 Ų50.619%0.18524%0.243CC..THydrogen-bonded Turntrans-77.9-15-178.366.4-85.2000112.9I321 Q407 N837I321-H839 PolarHBondContact O-N 2.89Å; Q407-H839 VanDerWaalsContact CD-NE2 3.32Å; Q407-H839 PolarHBondContact OE1-NE2 3.08Å; N837-H839 PolarHBondContact O-N 3.19Å; N837-H839 VanDerWaalsContact O-N 3.12Å
840K83.6Confident89.2Confident105 Ų10552 Ų5246%0.45725%0.252SS..EExtended strand (participates in β ladder)trans-89.1122.9-178.4-59.7-177.4179.9175.90110.1N837 D838N837-K840 PolarHBondContact N-O 3.38Å; N837-K840 WeakPolarHBondContact O-CB 3.41Å; N837-K840 PolarHBondContact O-N 2.93Å; D838-K840 VanDerWaalsContact C-N 3.3Å; D838-K840 PolarHBondContact O-N 3.41Å
841V89.4Confident89.3Confident4 Ų445 Ų452%0.02422%0.219CC..EExtended strand (participates in β ladder)trans-125.4117.9177.8-1680000109.7V313 Y318 V834 I835 Y836V313-V841 HydrophobicContact CG2-CB 4.34Å; V313-V841 HydrophobicContact CG2-CG1 3.68Å; V313-V841 PolarHBondContact N-O 2.69Å; V313-V841 VanDerWaalsContact N-O 3.16Å; Y318-V841 HydrophobicContact CD1-CG1 4.39Å; V834-V841 HydrophobicContact CG1-CG1 3.59Å; I835-V841 WeakPolarHBondContact O-CA 3.48Å; Y836-V841 HydrophobicContact CD1-CB 4.34Å; Y836-V841 HydrophobicContact CD1-CG1 3.71Å; Y836-V841 HydrophobicContact CD1-CG2 3.72Å; Y836-V841 HydrophobicContact CE1-CB 4.42Å; Y836-V841 HydrophobicContact CE1-CG1 3.47Å; Y836-V841 VanDerWaalsContact CE1-CG1 3.47Å; Y836-V841 HydrophobicContact CE1-CG2 4.01Å; Y836-V841 HydrophobicContact CG-CG1 4.34Å
842C87.8Confident89.5Confident27 Ų2742.2 Ų42.218%0.18219%0.191CC..EExtended strand (participates in β ladder)trans-135.9155.4-175.9-580000111.7L310 K311 V834 I835 S844L310-C842 HydrophobicContact CB-CB 3.73Å; L310-C842 HydrophobicContact CD1-CB 4.06Å; K311-C842 WeakPolarHBondContact O-CA 3.29Å; V834-C842 CarbonylContact C-O 3.54Å; V834-C842 WeakPolarHBondContact CA-O 3.12Å; V834-C842 WeakPolarHBondContact CG1-O 3.47Å; I835-C842 HydrophobicContact CG2-CB 3.83Å; I835-C842 WeakPolarHBondContact CG2-O 3.38Å; I835-C842 PolarHBondContact N-O 2.95Å; I835-C842 PolarHBondContact O-N 2.92Å; I835-C842 VanDerWaalsContact O-N 3.08Å; C842-S844 PolarHBondContact O-N 2.84Å
843L88.5Confident89.5Confident25 Ų2535.8 Ų35.813%0.13117%0.167CC..EExtended strand (participates in β ladder)trans-68.4128.6165.9-67.7172.8000109.3L310 K311 V313 R832 V834L310-L843 WeakPolarHBondContact CD2-O 3.48Å; K311-L843 HydrophobicContact CB-CD1 4.48Å; K311-L843 HydrophobicContact CD-CD1 4.43Å; K311-L843 PolarHBondContact O-N 2.96Å; V313-L843 HydrophobicContact CG1-CD1 4Å; V313-L843 HydrophobicContact CG1-CD2 3.9Å; V313-L843 HydrophobicContact CG1-CG 3.53Å; R832-L843 HydrophobicContact CB-CD2 4.46Å; V834-L843 HydrophobicContact CG2-CD2 4.23Å
844S89.1Confident89.6Confident9 Ų934.7 Ų34.76%0.06316%0.162CC..EExtended strand (participates in β ladder)trans-93.2127.6173.7163.20000108.5E305 H826 W833 C842 P847E305-S844 WeakPolarHBondContact OE1-CA 3.39Å; E305-S844 WeakPolarHBondContact OE1-CB 3.27Å; E305-S844 PolarHBondContact OE1-OG 2.98Å; H826-S844 PolarHBondContact CD2-OG 3.37Å; W833-S844 PolarHBondContact O-N 2.84Å; C842-S844 PolarHBondContact O-N 2.84Å; S844-P847 WeakPolarHBondContact OG-CA 3.36Å
845E85.5Confident89.8Confident138 Ų13834.7 Ų34.765%0.64516%0.163SC*.SBendtrans-92.8-39.5-180-69.4-70.9155.600110.2E305 M308E305-E845 PolarHBondContact OE1-N 3.13Å; E305-E845 PolarHBondContact OE2-N 2.76Å; E305-E845 VanDerWaalsContact OE2-N 3.12Å; M308-E845 HydrophobicContact SD-CB 4.18Å
846R85.3Confident90Very high186 Ų18634.4 Ų34.470%0.70216%0.161SC*.SBendtrans-13080.6179-62.7-166.3-169.4167.8-0.3110.2E305 M308E305-R846 PolarHBondContact OE2-N 3.48Å; M308-R846 HydrophobicContact CE-CB 4.29Å; M308-R846 HydrophobicContact CE-CG 3.99Å
847P87.9Confident90.2Very high20 Ų2034.2 Ų34.213%0.1316%0.16CC..  trans-61.2136.2179.526.8-36.7000110.5W833 S844 K849W833-P847 HydrophobicContact CB-CB 4.41Å; W833-P847 HydrophobicContact CB-CG 4.22Å; W833-P847 HydrophobicContact CD2-CB 4.1Å; W833-P847 HydrophobicContact CD2-CG 3.89Å; W833-P847 HydrophobicContact CE3-CB 4.31Å; W833-P847 HydrophobicContact CG-CB 4.16Å; W833-P847 HydrophobicContact CG-CG 3.7Å; S844-P847 WeakPolarHBondContact OG-CA 3.36Å; P847-K849 HydrophobicContact CB-CG 4.42Å; P847-K849 HydrophobicContact CG-CG 4.21Å; P847-K849 PolarHBondContact O-N 2.69Å
848P86.9Confident90.5Very high4 Ų438 Ų383%0.02617%0.173CC..  trans-77.666.7-178.236.1-41.4000111.1I303 H826 D850 L851I303-P848 HydrophobicContact CB-CG 4.16Å; I303-P848 HydrophobicContact CG1-CB 3.92Å; I303-P848 HydrophobicContact CG1-CG 3.95Å; I303-P848 HydrophobicContact CG2-CG 4.1Å; H826-P848 VanDerWaalsContact CE1-CD 3.47Å; H826-P848 WeakPolarHBondContact CE1-CD 3.33Å; H826-P848 WeakPolarHBondContact NE2-CD 3.26Å; P848-D850 PolarHBondContact O-N 2.93Å; P848-D850 VanDerWaalsContact O-N 3.15Å; P848-L851 HydrophobicContact CB-CB 4.5Å; P848-L851 HydrophobicContact CB-CD1 4.48Å; P848-L851 PolarHBondContact O-N 2.9Å
849K91.3Very high90.9Very high48 Ų4839.4 Ų39.421%0.20918%0.177CC..THydrogen-bonded Turntrans-62.3-21-175-53.9-176.5-168.7171.70113.4D594 L807 I810 P847 Y855D594-K849 WeakPolarHBondContact OD1-CE 3.4Å; D594-K849 IonicContact OD1-NZ 3.96Å; D594-K849 PolarHBondContact OD1-NZ 3.26Å; D594-K849 IonicContact OD2-NZ 2.7Å; D594-K849 PolarHBondContact OD2-NZ 2.95Å; L807-K849 HydrophobicContact CD2-CD 4.05Å; L807-K849 HydrophobicContact CD2-CG 4.35Å; I810-K849 HydrophobicContact CD1-CB 4.29Å; I810-K849 HydrophobicContact CD1-CG 3.94Å; P847-K849 HydrophobicContact CB-CG 4.42Å; P847-K849 HydrophobicContact CG-CG 4.21Å; P847-K849 PolarHBondContact O-N 2.69Å; K849-Y855 VanDerWaalsContact O-CE1 3.22Å; K849-Y855 WeakPolarHBondContact O-CE1 3.44Å; K849-Y855 PolarHBondContact O-OH 3.47Å
850D90.6Very high91.3Very high60 Ų6040.3 Ų40.332%0.32118%0.183SC..THydrogen-bonded Turntrans-86.7-17.4-177.159.1-38.9000114.2A589 I590 P848A589-D850 WeakPolarHBondContact CA-O 3.44Å; A589-D850 HydrophobicContact CB-CB 4.29Å; I590-D850 PolarHBondContact N-O 3.43Å; I590-D850 WeakPolarHBondContact O-CA 3.4Å; I590-D850 WeakPolarHBondContact O-CB 3.24Å; P848-D850 PolarHBondContact O-N 2.93Å; P848-D850 VanDerWaalsContact O-N 3.15Å
851L90.1Very high91.1Very high4 Ų440.1 Ų40.12%0.02120%0.195CC..SBendtrans-1081.8-175.3-56.6177.6000113.7V302 I303 K574 A589 P848V302-L851 HydrophobicContact CB-CD1 4.28Å; V302-L851 HydrophobicContact CG1-CD1 3.84Å; I303-L851 HydrophobicContact CD1-CB 3.94Å; I303-L851 HydrophobicContact CD1-CD1 4.11Å; I303-L851 HydrophobicContact CG1-CB 4.21Å; I303-L851 HydrophobicContact CG1-CD1 3.87Å; K574-L851 PolarHBondContact NZ-O 2.82Å; K574-L851 VanDerWaalsContact NZ-O 3.11Å; A589-L851 HydrophobicContact CB-CD2 4.39Å; P848-L851 HydrophobicContact CB-CB 4.5Å; P848-L851 HydrophobicContact CB-CD1 4.48Å; P848-L851 PolarHBondContact O-N 2.9Å
852G91.8Very high89.3Confident3 Ų345 Ų453%0.03123%0.228CC..  trans-58.8159.7178.100000113.2K574 Y855K574-G852 PolarHBondContact NZ-O 3.24Å; G852-Y855 VanDerWaalsContact CA-CZ 3.45Å; G852-Y855 WeakPolarHBondContact CA-OH 3.37Å; G852-Y855 PolarHBondContact N-OH 2.77Å; G852-Y855 PolarHBondContact O-OH 3.39Å
853Y94.6Very high86.6Confident4 Ų452.3 Ų52.32%0.01628%0.28CS..SBendtrans-109.6-51.3176.5173.9-142.7000111.2D434 H436 Q571 I572 K574 F575 I811 Y823D434-Y853 PolarHBondContact OD1-OH 2.66Å; D434-Y853 WeakPolarHBondContact OD2-CE1 3.41Å; D434-Y853 VanDerWaalsContact OD2-CZ 3.29Å; D434-Y853 PolarHBondContact OD2-OH 3.45Å; H436-Y853 HydrophobicContact CB-CE1 4.3Å; Q571-Y853 HydrophobicContact CG-CD2 4.4Å; Q571-Y853 HydrophobicContact CG-CE2 3.72Å; Q571-Y853 PolarHBondContact NE2-OH 3.3Å; I572-Y853 PolarHBondContact N-O 3.43Å; K574-Y853 HydrophobicContact CG-CD2 4.45Å; F575-Y853 HydrophobicContact CE2-CD2 4.25Å; F575-Y853 AromaticContact CE2-CE2 3.5Å; F575-Y853 HydrophobicContact CE2-CE2 3.5Å; F575-Y853 VanDerWaalsContact CE2-CE2 3.5Å; F575-Y853 AromaticContact CE2-CZ 3.76Å; F575-Y853 HydrophobicContact CZ-CE2 4.1Å; I811-Y853 WeakPolarHBondContact O-CA 3.47Å; I811-Y853 WeakPolarHBondContact O-CB 3.34Å; I811-Y853 PolarHBondContact O-N 2.76Å; Y823-Y853 AromaticContact CE1-CD1 3.89Å; Y823-Y853 HydrophobicContact CE1-CD1 3.89Å; Y823-Y853 HydrophobicContact CE1-CE1 4.38Å
854I97.4Very high86.5Confident0 Ų053.7 Ų53.70%029%0.288CS..EExtended strand (participates in β ladder)trans-119.5130.2177.1-49.2168.3000107.7A435 H436 V569 V570 I811 F856A435-I854 HydrophobicContact CB-CD1 4.01Å; H436-I854 HydrophobicContact CB-CD1 3.68Å; H436-I854 HydrophobicContact CB-CG1 4.32Å; V569-I854 HydrophobicContact CG1-CG2 3.62Å; V570-I854 CarbonylContact O-C 3.6Å; V570-I854 WeakPolarHBondContact O-CA 3.4Å; I811-I854 HydrophobicContact CB-CB 4.21Å; I811-I854 HydrophobicContact CD1-CD1 4.46Å; I811-I854 PolarHBondContact N-O 3.25Å; I811-I854 PolarHBondContact O-N 2.71Å; I811-I854 VanDerWaalsContact O-N 3.1Å; I854-F856 HydrophobicContact CB-CE2 4.33Å; I854-F856 HydrophobicContact CG2-CD2 4.36Å; I854-F856 HydrophobicContact CG2-CE2 3.65Å; I854-F856 HydrophobicContact CG2-CZ 3.97Å
855Y97.7Very high86.4Confident1 Ų156.1 Ų56.10%0.00430%0.3CS..EExtended strand (participates in β ladder)trans-116.6141.3179.7-59-97.7000109.7V569 V570 I572 V592 L807 I810 K849 G852V569-Y855 WeakPolarHBondContact CA-O 3.42Å; V570-Y855 PolarHBondContact N-O 3.08Å; V570-Y855 PolarHBondContact O-N 3.05Å; I572-Y855 HydrophobicContact CD1-CE2 4.37Å; I572-Y855 HydrophobicContact CG1-CD2 4.04Å; I572-Y855 HydrophobicContact CG1-CE2 3.56Å; V592-Y855 HydrophobicContact CB-CE1 4.1Å; V592-Y855 HydrophobicContact CG1-CD1 3.9Å; V592-Y855 HydrophobicContact CG1-CE1 3.95Å; V592-Y855 HydrophobicContact CG1-CG 4.5Å; V592-Y855 HydrophobicContact CG2-CD1 4.39Å; V592-Y855 HydrophobicContact CG2-CE1 3.76Å; V592-Y855 HydrophobicContact CG2-CE2 4.21Å; L807-Y855 HydrophobicContact CD1-CD1 4.05Å; I810-Y855 HydrophobicContact CB-CD1 4.44Å; I810-Y855 HydrophobicContact CG1-CD1 3.93Å; I810-Y855 HydrophobicContact CG1-CE1 4.17Å; I810-Y855 HydrophobicContact CG2-CD1 4.01Å; I810-Y855 HydrophobicContact CG2-CE1 3.77Å; K849-Y855 VanDerWaalsContact O-CE1 3.22Å; K849-Y855 WeakPolarHBondContact O-CE1 3.44Å; K849-Y855 PolarHBondContact O-OH 3.47Å; G852-Y855 VanDerWaalsContact CA-CZ 3.45Å; G852-Y855 WeakPolarHBondContact CA-OH 3.37Å; G852-Y855 PolarHBondContact N-OH 2.77Å; G852-Y855 PolarHBondContact O-OH 3.39Å
856F97.9Very high86.5Confident1 Ų151.5 Ų51.50%0.00428%0.281CS..EExtended strand (participates in β ladder)trans-117.8122.8176.8-64.8-100.8000108.4V336 F439 F460 V569 F808 A809 I811 I854V336-F856 HydrophobicContact CB-CE2 4.48Å; V336-F856 HydrophobicContact CG1-CD1 3.83Å; V336-F856 HydrophobicContact CG1-CD2 3.73Å; V336-F856 HydrophobicContact CG1-CE1 3.89Å; V336-F856 HydrophobicContact CG1-CE2 3.8Å; V336-F856 HydrophobicContact CG1-CG 3.75Å; V336-F856 HydrophobicContact CG1-CZ 3.88Å; V336-F856 HydrophobicContact CG2-CE2 4.46Å; F439-F856 HydrophobicContact CD2-CZ 4.42Å; F439-F856 HydrophobicContact CE2-CE1 4.03Å; F439-F856 HydrophobicContact CE2-CZ 4.35Å; F439-F856 HydrophobicContact CZ-CE1 4.42Å; F460-F856 HydrophobicContact CE1-CD1 4.19Å; F460-F856 HydrophobicContact CE1-CE1 4.25Å; V569-F856 HydrophobicContact CB-CE1 4.43Å; V569-F856 HydrophobicContact CG1-CD1 4.35Å; V569-F856 HydrophobicContact CG1-CE1 3.93Å; V569-F856 HydrophobicContact CG1-CZ 4.1Å; V569-F856 HydrophobicContact CG2-CD1 3.8Å; V569-F856 HydrophobicContact CG2-CE1 3.7Å; F808-F856 WeakPolarHBondContact CA-O 3.19Å; F808-F856 WeakPolarHBondContact CB-O 3.36Å; F808-F856 HydrophobicContact CD1-CB 3.99Å; F808-F856 PolarHBondContact N-O 3.31Å; A809-F856 HydrophobicContact CB-CB 4.09Å; A809-F856 HydrophobicContact CB-CD2 4.27Å; A809-F856 HydrophobicContact CB-CG 4.46Å; A809-F856 PolarHBondContact N-O 3.39Å; A809-F856 VanDerWaalsContact N-O 3.13Å; A809-F856 PolarHBondContact O-N 2.83Å; I811-F856 HydrophobicContact CD1-CE2 3.76Å; I811-F856 HydrophobicContact CD1-CZ 4.25Å; I811-F856 HydrophobicContact CG1-CE2 4.06Å; I854-F856 HydrophobicContact CB-CE2 4.33Å; I854-F856 HydrophobicContact CG2-CD2 4.36Å; I854-F856 HydrophobicContact CG2-CE2 3.65Å; I854-F856 HydrophobicContact CG2-CZ 3.97Å
857Y97.3Very high86.5Confident0 Ų043.6 Ų43.60%026%0.256CS..EExtended strand (participates in β ladder)trans-113.4125.4-178.6-86.7-85.5000109.4Y567 L568 V570 V592 P593 L596 E806 L807Y567-Y857 CarbonylContact C-O 3.58Å; Y567-Y857 VanDerWaalsContact CA-O 3.24Å; Y567-Y857 WeakPolarHBondContact CA-O 3.4Å; L568-Y857 PolarHBondContact N-O 2.95Å; L568-Y857 PolarHBondContact O-N 3.46Å; V570-Y857 HydrophobicContact CG2-CD2 3.94Å; V570-Y857 HydrophobicContact CG2-CE2 4.22Å; V592-Y857 HydrophobicContact CG1-CE2 4.41Å; V592-Y857 WeakPolarHBondContact CG1-OH 3.47Å; P593-Y857 PolarHBondContact O-OH 3.28Å; L596-Y857 HydrophobicContact CB-CD1 4.02Å; L596-Y857 HydrophobicContact CB-CE1 3.67Å; L596-Y857 HydrophobicContact CD2-CD1 4.32Å; L596-Y857 HydrophobicContact CD2-CD2 4.42Å; L596-Y857 HydrophobicContact CD2-CE1 4.12Å; L596-Y857 HydrophobicContact CD2-CE2 4.22Å; L596-Y857 HydrophobicContact CD2-CG 4.44Å; E806-Y857 CarbonylContact O-C 3.57Å; E806-Y857 WeakPolarHBondContact O-CA 3.47Å; L807-Y857 HydrophobicContact CB-CD1 4.29Å; L807-Y857 HydrophobicContact CB-CE1 3.95Å; L807-Y857 HydrophobicContact CD1-CD1 4.48Å; L807-Y857 HydrophobicContact CD1-CD2 4.25Å; L807-Y857 HydrophobicContact CD1-CE1 4.16Å; L807-Y857 HydrophobicContact CD1-CE2 3.92Å
858R96.4Very high86.4Confident102 Ų10245.1 Ų45.139%0.38526%0.264SS..EExtended strand (participates in β ladder)trans-93.1130.3177179.8-178.263.7-179.8-1110.1Y567 Y805 E806 F808Y567-R858 HydrophobicContact CD1-CB 4.12Å; Y567-R858 HydrophobicContact CD1-CG 4.47Å; Y567-R858 HydrophobicContact CE1-CB 3.74Å; Y567-R858 HydrophobicContact CE1-CG 3.81Å; Y805-R858 CarbonylContact C-O 3.6Å; Y805-R858 VanDerWaalsContact CA-O 3.31Å; Y805-R858 WeakPolarHBondContact CA-O 3.5Å; E806-R858 PolarHBondContact N-O 3.06Å; E806-R858 PolarHBondContact O-N 3.23Å; E806-R858 IonicContact OE2-CZ 3.71Å; E806-R858 IonicContact OE2-NH2 2.84Å; E806-R858 PolarHBondContact OE2-NH2 2.9Å; F808-R858 HydrophobicContact CB-CB 4Å
859R95.6Very high86.4Confident46 Ų4647.8 Ų47.817%0.17428%0.279CS..EExtended strand (participates in β ladder)trans-63.9134.9178-169.7167.465.4-1587.8110.7F564 P565 E566 K799 P802 R804 Y805F564-R859 PolarHBondContact O-NH1 3.04Å; P565-R859 PolarHBondContact O-NH1 3.3Å; E566-R859 VanDerWaalsContact O-CB 3.27Å; E566-R859 WeakPolarHBondContact O-CB 3.31Å; E566-R859 PolarHBondContact O-N 3.07Å; E566-R859 IonicContact OE1-NH2 2.85Å; K799-R859 PolarHBondContact O-NH1 3.29Å; P802-R859 VanDerWaalsContact O-CD 3.22Å; P802-R859 WeakPolarHBondContact O-CD 3.31Å; P802-R859 WeakPolarHBondContact O-CG 3.29Å; R804-R859 CarbonylContact O-C 3.51Å; R804-R859 WeakPolarHBondContact O-CA 3.46Å; Y805-R859 HydrophobicContact CD1-CB 4Å; Y805-R859 HydrophobicContact CE1-CB 3.72Å; Y805-R859 HydrophobicContact CE1-CG 4.25Å
860L92.1Very high86.1Confident60 Ų6047.8 Ų47.831%0.31428%0.284SS..PPolyproline II helixtrans-83.3128.2172.5-65.2175.8000109F595 R804 E806 S862F595-L860 HydrophobicContact CD1-CD1 4.11Å; F595-L860 HydrophobicContact CE1-CD1 4.36Å; R804-L860 HydrophobicContact CB-CB 4.49Å; R804-L860 PolarHBondContact O-N 3.19Å; E806-L860 HydrophobicContact CB-CD2 3.91Å; E806-L860 HydrophobicContact CB-CG 4.31Å; L860-S862 PolarHBondContact O-N 2.95Å
861S79.9Confident85.7Confident101 Ų10146.8 Ų46.871%0.70628%0.282SS*.PPolyproline II helixtrans-62.6128.5169.850.50000109.4S863S861-S863 PolarHBondContact O-N 3.1Å; S861-S863 PolarHBondContact O-OG 2.91Å
862S51.7Low85.4Confident105 Ų10550.4 Ų50.473%0.73430%0.303SS*.  trans-60.1101.5167.648.50000108.3L860L860-S862 PolarHBondContact O-N 2.95Å
863S31.8Very low84.8Confident182 Ų18254.7 Ų54.7100%1.27333%0.328SS*.  trans-93.70166.410.30000109S861S861-S863 PolarHBondContact O-N 3.1Å; S861-S863 PolarHBondContact O-OG 2.91Å

Retrieved 863 of 863 residues in 358.5 ms (Link to these results)

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