A0A090N8Q1_HUMAN Loading...

Amiloride-sensitive cation channel 3

AlphaFold DB , UniProt , Accession A0A090N8Q1, Species HUMAN (Homo sapiens, Human), Gene ACCN3, Length 549 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
1M41.1Very low33.2Very low251 Ų251159.7 Ų159.7100%1.23688%0.878SS**  0112.30-86.3160.9164.500108.8
2K28.4Very low33.8Very low205 Ų205166.2 Ų166.289%0.89188%0.879SS**  trans-141.7133.3171.5-148.9171.9-173.3-178.20105.2
3P33.6Very low34.7Very low125 Ų125162.5 Ų162.581%0.81287%0.871SS**PPolyproline II helixtrans-82.7145.9-155.731.9-33.6000112.8
4T33.5Very low35.9Very low147 Ų147156.5 Ų156.590%0.90286%0.855SS**PPolyproline II helixtrans-68122.7166.5320000110.9
5S31.8Very low37.6Very low118 Ų118148.7 Ų148.783%0.82582%0.816SS**PPolyproline II helixtrans-92128.8163.8500000109.4
6G29.3Very low39.9Very low66 Ų66143.9 Ų143.968%0.6879%0.789SS**  trans-66176.1-174.400000115.6E8G6-E8 PolarHBondContact O-N 3.35Å
7P33.8Very low42.1Very low135 Ų135139.8 Ų139.888%0.87777%0.765SS**  trans-71.8123.9-171.529.2-30.8000110.6E9P7-E9 PolarHBondContact O-N 3.38Å
8E31.1Very low43.9Very low191 Ų191140.7 Ų140.789%0.89376%0.755SS**  trans-65.9120.7169.7-157.8175.4154.300108.6G6 A10G6-E8 PolarHBondContact O-N 3.35Å; E8-A10 PolarHBondContact O-N 3.47Å; E8-A10 VanDerWaalsContact O-N 3.09Å
9E32.9Very low45.7Very low186 Ų186137.6 Ų137.687%0.86974%0.742SS**  trans-58.5108.9177.2-162.4161.5-171.500109.2P7 R11P7-E9 PolarHBondContact O-N 3.38Å; E9-R11 PolarHBondContact O-N 2.89Å
10A31.8Very low47.4Very low92 Ų92132.7 Ų132.776%0.7671%0.713SS**  trans-60.7107.8-17500000110.5E8 R12E8-A10 PolarHBondContact O-N 3.47Å; E8-A10 VanDerWaalsContact O-N 3.09Å; A10-R12 PolarHBondContact O-N 3.17Å; A10-R12 VanDerWaalsContact O-N 3.09Å
11R37.8Very low48.9Very low241 Ų241126.4 Ų126.491%0.90968%0.68SS**PPolyproline II helixtrans-47.8116.5158.8-87.5175.6170165.4-2.7108E9 P13E9-R11 PolarHBondContact O-N 2.89Å; R11-P13 VanDerWaalsContact O-N 3.16Å
12R40.8Very low50.6Low237 Ų237118.1 Ų118.189%0.89465%0.646SS**PPolyproline II helixtrans-50122170.7-71.6179.5179.8-179.3-1.1107.8A10 A14A10-R12 PolarHBondContact O-N 3.17Å; A10-R12 VanDerWaalsContact O-N 3.09Å; R12-A14 PolarHBondContact O-N 2.9Å
13P45.8Very low53Low119 Ų119114.2 Ų114.277%0.77364%0.635SS**PPolyproline II helixtrans-62.6137.4-177.223.9-30.5000108.8R11 S15R11-P13 VanDerWaalsContact O-N 3.16Å; P13-S15 PolarHBondContact O-N 3.33Å
14A50.6Low55.2Low78 Ų78109 Ų10965%0.64560%0.602SS**PPolyproline II helixtrans-46.6138.4169.900000109.3R12 D16R12-A14 PolarHBondContact O-N 2.9Å; A14-D16 VanDerWaalsContact C-N 3.32Å; A14-D16 PolarHBondContact O-N 3.32Å
15S61.1Low57.4Low39 Ų39104 Ų10427%0.27357%0.573SS.*  trans-4287.8178.959.60000112.4P13 I17 Y459 V463P13-S15 PolarHBondContact O-N 3.33Å; S15-I17 PolarHBondContact O-N 3.34Å; S15-Y459 PolarHBondContact O-OH 3.06Å; S15-V463 WeakPolarHBondContact OG-CG2 3.23Å
16D74.3Confident59.8Low72 Ų72100.1 Ų100.139%0.38554%0.542SS..  trans-83.6115.7-178.1-174.1-9.4000107.9A14 R18 V19 F20A14-D16 VanDerWaalsContact C-N 3.32Å; A14-D16 PolarHBondContact O-N 3.32Å; D16-R18 PolarHBondContact O-N 2.95Å; D16-R18 WeakPolarHBondContact OD1-CB 3.46Å; D16-R18 PolarHBondContact OD1-N 2.94Å; D16-V19 HydrophobicContact CB-CB 4.38Å; D16-V19 HydrophobicContact CB-CG2 4Å; D16-V19 PolarHBondContact O-N 3.01Å; D16-F20 PolarHBondContact O-N 3.17Å; D16-F20 VanDerWaalsContact O-N 3.08Å
17I77.3Confident62.3Low75 Ų75103.4 Ų103.439%0.38554%0.539SS..Hα-helixtrans-51-28.9177.1-167.875.4000112S15 A21 F33 Y459S15-I17 PolarHBondContact O-N 3.34Å; I17-A21 WeakPolarHBondContact O-CB 3.48Å; I17-A21 PolarHBondContact O-N 3.05Å; I17-F33 HydrophobicContact CG1-CE1 4.3Å; I17-Y459 WeakPolarHBondContact CA-OH 3.37Å; I17-Y459 HydrophobicContact CD1-CE1 3.95Å; I17-Y459 PolarHBondContact N-OH 2.84Å
18R75.4Confident64.6Low156 Ų15697.5 Ų97.559%0.58950%0.503SS*.Hα-helixtrans-71.8-39.5178.5-63.2178.2178.2173.31.4112.6D16 S22D16-R18 PolarHBondContact O-N 2.95Å; D16-R18 WeakPolarHBondContact OD1-CB 3.46Å; D16-R18 PolarHBondContact OD1-N 2.94Å; R18-S22 WeakPolarHBondContact O-CB 3.44Å; R18-S22 PolarHBondContact O-N 2.94Å; R18-S22 PolarHBondContact O-OG 3.39Å
19V77.1Confident67Low82 Ų8289.6 Ų89.650%0.49747%0.467SS..Hα-helixtrans-71.3-39.1177.8177.80000110.1D16 S22 N23D16-V19 HydrophobicContact CB-CB 4.38Å; D16-V19 HydrophobicContact CB-CG2 4Å; D16-V19 PolarHBondContact O-N 3.01Å; V19-S22 PolarHBondContact O-OG 3.26Å; V19-N23 PolarHBondContact O-N 3.01Å; V19-N23 PolarHBondContact O-ND2 2.94Å
20F80.3Confident69.3Low38 Ų3882.2 Ų82.217%0.16744%0.441CS..Hα-helixtrans-64.7-49.7172.7177.1-103.2000111.5D16 S22 N23 C24 L29 E455 I456 Y459D16-F20 PolarHBondContact O-N 3.17Å; D16-F20 VanDerWaalsContact O-N 3.08Å; F20-S22 VanDerWaalsContact C-N 3.25Å; F20-S22 PolarHBondContact O-N 3.44Å; F20-N23 PolarHBondContact O-N 3.11Å; F20-C24 HydrophobicContact CE1-CB 4.27Å; F20-C24 HydrophobicContact CZ-CB 4.24Å; F20-C24 WeakPolarHBondContact O-CB 3.34Å; F20-C24 PolarHBondContact O-N 3.02Å; F20-L29 HydrophobicContact CE1-CD2 4.41Å; F20-E455 WeakPolarHBondContact CE2-O 3.44Å; F20-I456 HydrophobicContact CE1-CG1 4.4Å; F20-I456 HydrophobicContact CZ-CB 4.46Å; F20-I456 HydrophobicContact CZ-CG1 3.91Å; F20-Y459 HydrophobicContact CB-CD2 3.69Å; F20-Y459 HydrophobicContact CB-CE2 3.57Å; F20-Y459 HydrophobicContact CB-CG 4.28Å; F20-Y459 HydrophobicContact CD1-CD1 4Å; F20-Y459 HydrophobicContact CD1-CD2 4.31Å; F20-Y459 HydrophobicContact CD1-CE1 4.22Å; F20-Y459 HydrophobicContact CD1-CG 4.05Å; F20-Y459 HydrophobicContact CD2-CD1 4.3Å; F20-Y459 AromaticContact CD2-CD2 3.54Å; F20-Y459 HydrophobicContact CD2-CD2 3.54Å; F20-Y459 HydrophobicContact CD2-CE2 4.31Å; F20-Y459 AromaticContact CD2-CG 3.53Å; F20-Y459 HydrophobicContact CD2-CG 3.53Å; F20-Y459 HydrophobicContact CE1-CD1 4.17Å; F20-Y459 HydrophobicContact CE1-CG 4.3Å; F20-Y459 HydrophobicContact CE2-CD1 4.47Å; F20-Y459 HydrophobicContact CE2-CD2 4.28Å; F20-Y459 AromaticContact CE2-CG 3.82Å; F20-Y459 HydrophobicContact CE2-CG 3.82Å; F20-Y459 HydrophobicContact CG-CD1 4.07Å; F20-Y459 AromaticContact CG-CD2 3.56Å; F20-Y459 HydrophobicContact CG-CD2 3.56Å; F20-Y459 HydrophobicContact CG-CE1 4.36Å; F20-Y459 AromaticContact CG-CE2 3.88Å; F20-Y459 HydrophobicContact CG-CE2 3.88Å; F20-Y459 AromaticContact CG-CG 3.66Å; F20-Y459 HydrophobicContact CG-CG 3.66Å; F20-Y459 HydrophobicContact CZ-CD1 4.41Å; F20-Y459 HydrophobicContact CZ-CG 4.19Å
21A79.4Confident71.7Confident1 Ų182.4 Ų82.41%0.00843%0.426CS..Hα-helixtrans-62.8-27.8-179.100000114.2I17 L29 G30 F33I17-A21 WeakPolarHBondContact O-CB 3.48Å; I17-A21 PolarHBondContact O-N 3.05Å; A21-L29 HydrophobicContact CB-CD2 3.88Å; A21-L29 HydrophobicContact CB-CG 3.75Å; A21-G30 VanDerWaalsContact O-CA 3.29Å; A21-G30 WeakPolarHBondContact O-CA 3.28Å; A21-G30 PolarHBondContact O-N 3.49Å; A21-F33 HydrophobicContact CB-CB 3.51Å; A21-F33 HydrophobicContact CB-CD2 3.7Å; A21-F33 HydrophobicContact CB-CG 3.85Å
22S75.9Confident73.9Confident77 Ų7772.5 Ų72.554%0.53839%0.392SS..Hα-helixtrans-77.6-24.8174.962.20000113.6R18 V19 F20R18-S22 WeakPolarHBondContact O-CB 3.44Å; R18-S22 PolarHBondContact O-N 2.94Å; R18-S22 PolarHBondContact O-OG 3.39Å; V19-S22 PolarHBondContact O-OG 3.26Å; F20-S22 VanDerWaalsContact C-N 3.25Å; F20-S22 PolarHBondContact O-N 3.44Å
23N79.1Confident75.8Confident124 Ų12465 Ų6566%0.66337%0.366SS*.Hα-helixtrans-104-13.7-176.1-65.2-5000113V19 F20V19-N23 PolarHBondContact O-N 3.01Å; V19-N23 PolarHBondContact O-ND2 2.94Å; F20-N23 PolarHBondContact O-N 3.11Å
24C80.4Confident77.1Confident15 Ų1560.3 Ų60.310%0.10134%0.339CS..  trans-66.7138178.8-173.30000110.6F20 M26 L29F20-C24 HydrophobicContact CE1-CB 4.27Å; F20-C24 HydrophobicContact CZ-CB 4.24Å; F20-C24 WeakPolarHBondContact O-CB 3.34Å; F20-C24 PolarHBondContact O-N 3.02Å; C24-M26 PolarHBondContact O-N 3.5Å; C24-M26 VanDerWaalsContact SG-CB 3.58Å; C24-M26 PolarHBondContact SG-N 3.19Å; C24-L29 HydrophobicContact CB-CD2 4.06Å
25S79.2Confident77.9Confident43 Ų4362.6 Ų62.630%0.30135%0.348SS..SBendtrans-68.5-6.5175.250.80000114.1H27 T452 E455S25-H27 PolarHBondContact O-N 2.91Å; S25-T452 WeakPolarHBondContact OG-CA 3.46Å; S25-T452 VanDerWaalsContact OG-CB 3.26Å; S25-T452 WeakPolarHBondContact OG-CB 3.28Å; S25-T452 VanDerWaalsContact OG-CG2 3.28Å; S25-T452 WeakPolarHBondContact OG-CG2 3.43Å; S25-T452 PolarHBondContact OG-OG1 3.45Å; S25-E455 PolarHBondContact N-OE2 3.29Å; S25-E455 VanDerWaalsContact N-OE2 3.15Å; S25-E455 PolarHBondContact OG-OE2 3.46Å
26M82.4Confident78.2Confident35 Ų3563.6 Ų63.617%0.17236%0.364CS..SBendtrans-71.7124.6179.1-167166.778.900112.5C24 L29 I446 T452C24-M26 PolarHBondContact O-N 3.5Å; C24-M26 VanDerWaalsContact SG-CB 3.58Å; C24-M26 PolarHBondContact SG-N 3.19Å; M26-L29 HydrophobicContact CB-CB 4.43Å; M26-L29 HydrophobicContact CE-CB 3.81Å; M26-L29 HydrophobicContact CE-CD1 3.61Å; M26-L29 HydrophobicContact CE-CD2 3.84Å; M26-L29 HydrophobicContact CE-CG 3.92Å; M26-I446 HydrophobicContact CG-CG2 3.37Å; M26-I446 HydrophobicContact SD-CG2 3.51Å; M26-I446 VanDerWaalsContact SD-CG2 3.51Å; M26-T452 HydrophobicContact CB-CG2 4.02Å
27H82.3Confident78Confident136 Ų13664.9 Ų64.963%0.6338%0.379SS*.THydrogen-bonded Turntrans-66.1138.6-178.7-68.2-179.2000111.6S25 L29 I446S25-H27 PolarHBondContact O-N 2.91Å; H27-L29 VanDerWaalsContact C-N 3.27Å; H27-L29 PolarHBondContact O-N 2.96Å; H27-I446 WeakPolarHBondContact CB-O 3.29Å; H27-I446 PolarHBondContact N-O 2.95Å
28G81.2Confident77.8Confident11 Ų1169.9 Ų69.911%0.11341%0.405CS..THydrogen-bonded Turntrans83.3-19.4176.400000115.5G30 H31 V32G28-G30 PolarHBondContact O-N 3.4Å; G28-H31 PolarHBondContact O-N 3.16Å; G28-H31 VanDerWaalsContact O-N 3.15Å; G28-V32 WeakPolarHBondContact O-CG2 3.44Å; G28-V32 PolarHBondContact O-N 2.85Å
29L82.5Confident78.1Confident24 Ų2465 Ų6513%0.12640%0.395CS..Hα-helixtrans-63.6-42.2-178.9-165.266.6000112.2F20 A21 C24 M26 H27 H31 V32 F33F20-L29 HydrophobicContact CE1-CD2 4.41Å; A21-L29 HydrophobicContact CB-CD2 3.88Å; A21-L29 HydrophobicContact CB-CG 3.75Å; C24-L29 HydrophobicContact CB-CD2 4.06Å; M26-L29 HydrophobicContact CB-CB 4.43Å; M26-L29 HydrophobicContact CE-CB 3.81Å; M26-L29 HydrophobicContact CE-CD1 3.61Å; M26-L29 HydrophobicContact CE-CD2 3.84Å; M26-L29 HydrophobicContact CE-CG 3.92Å; H27-L29 VanDerWaalsContact C-N 3.27Å; H27-L29 PolarHBondContact O-N 2.96Å; L29-H31 VanDerWaalsContact C-N 3.27Å; L29-H31 PolarHBondContact O-N 3.28Å; L29-V32 PolarHBondContact O-N 2.77Å; L29-V32 VanDerWaalsContact O-N 3.15Å; L29-F33 HydrophobicContact CD1-CD2 3.64Å; L29-F33 HydrophobicContact CD1-CE2 3.46Å; L29-F33 VanDerWaalsContact CD1-CE2 3.46Å; L29-F33 HydrophobicContact CG-CD2 4Å; L29-F33 HydrophobicContact CG-CE2 4.29Å; L29-F33 PolarHBondContact O-N 2.88Å; L29-F33 VanDerWaalsContact O-N 3.1Å
30G80.8Confident78.4Confident32 Ų3268.3 Ų68.333%0.3341%0.409SS..Hα-helixtrans-64.2-27.1175.400000114.1A21 G28 G34A21-G30 VanDerWaalsContact O-CA 3.29Å; A21-G30 WeakPolarHBondContact O-CA 3.28Å; A21-G30 PolarHBondContact O-N 3.49Å; G28-G30 PolarHBondContact O-N 3.4Å; G30-G34 PolarHBondContact O-N 3.37Å
31H82.3Confident78.6Confident96 Ų9674.1 Ų74.144%0.44443%0.43SS..Hα-helixtrans-78.1-25.4175.3-68-49.8000113G28 L29 W45G28-H31 PolarHBondContact O-N 3.16Å; G28-H31 VanDerWaalsContact O-N 3.15Å; L29-H31 VanDerWaalsContact C-N 3.27Å; L29-H31 PolarHBondContact O-N 3.28Å; H31-W45 HydrophobicContact CB-CB 4.13Å; H31-W45 HydrophobicContact CB-CD2 3.84Å; H31-W45 HydrophobicContact CB-CE3 4.32Å; H31-W45 HydrophobicContact CB-CG 3.73Å; H31-W45 AromaticContact CD2-CE2 3.95Å; H31-W45 AromaticContact CD2-CH2 3.96Å; H31-W45 AromaticContact CD2-CZ2 3.92Å
32V83.8Confident78.8Confident33 Ų3376.7 Ų76.720%0.244%0.439CS..Hα-helixtrans-79.2-44.1176.5176.40000111.1G28 L29 W45 A46 V49G28-V32 WeakPolarHBondContact O-CG2 3.44Å; G28-V32 PolarHBondContact O-N 2.85Å; L29-V32 PolarHBondContact O-N 2.77Å; L29-V32 VanDerWaalsContact O-N 3.15Å; V32-W45 HydrophobicContact CG2-CB 4.3Å; V32-A46 HydrophobicContact CG1-CB 4.34Å; V32-A46 HydrophobicContact CG2-CB 4.18Å; V32-V49 HydrophobicContact CG2-CG2 4.28Å
33F80.9Confident79.3Confident79 Ų7975.1 Ų75.135%0.34644%0.435SS..SBendtrans-100.512.1-173.1-68.2-77.2000115.5I17 A21 L29I17-F33 HydrophobicContact CG1-CE1 4.3Å; A21-F33 HydrophobicContact CB-CB 3.51Å; A21-F33 HydrophobicContact CB-CD2 3.7Å; A21-F33 HydrophobicContact CB-CG 3.85Å; L29-F33 HydrophobicContact CD1-CD2 3.64Å; L29-F33 HydrophobicContact CD1-CE2 3.46Å; L29-F33 VanDerWaalsContact CD1-CE2 3.46Å; L29-F33 HydrophobicContact CG-CD2 4Å; L29-F33 HydrophobicContact CG-CE2 4.29Å; L29-F33 PolarHBondContact O-N 2.88Å; L29-F33 VanDerWaalsContact O-N 3.1Å
34G73.8Confident79.7Confident20 Ų2074.8 Ų74.821%0.20643%0.431CS..  trans-60.6160.8179.700000114.9G30 R42G30-G34 PolarHBondContact O-N 3.37Å; G34-R42 PolarHBondContact O-NH1 2.83Å; G34-R42 PolarHBondContact O-NH2 3.32Å
35P66.8Low80.1Confident127 Ų12778.6 Ų78.683%0.82544%0.443SS*.SBendtrans-68.7132.6-179.626.6-33000112.2R42P35-R42 PolarHBondContact O-NH2 3.46Å
36G67.8Low80.6Confident59 Ų5978.2 Ų78.261%0.60844%0.443SS*.SBendtrans132.9-177.7178.400000115.8R42G36-R42 VanDerWaalsContact C-NH2 3.28Å; G36-R42 PolarHBondContact O-NH1 3.25Å; G36-R42 PolarHBondContact O-NH2 3.15Å
37S69.1Low81Confident100 Ų10079.5 Ų79.570%0.69946%0.459SS*.SBendtrans-78.7164.3-178.458.90000113.9S39 R42S37-S39 PolarHBondContact O-N 3.45Å; S37-R42 PolarHBondContact O-NH1 3.12Å
38L73.6Confident81.4Confident179 Ų17975.2 Ų75.294%0.93745%0.447SS*.  trans-59.4116.9173.8-77.5134.4000109.8
39S81.7Confident81.9Confident55 Ų5575.9 Ų75.939%0.38545%0.449SS..  trans-124.2153179.460.70000111S37 R41 R42 G43S37-S39 PolarHBondContact O-N 3.45Å; S39-R41 PolarHBondContact O-N 3.36Å; S39-R42 PolarHBondContact O-N 3.11Å; S39-G43 PolarHBondContact O-N 3.31Å
40L83.2Confident82.4Confident150 Ų15079.5 Ų79.579%0.78547%0.472SS*.Hα-helixtrans-52-38.7175-169.683.7000111.6R42 G43 M44L40-R42 PolarHBondContact O-N 3.03Å; L40-G43 PolarHBondContact O-N 2.96Å; L40-M44 WeakPolarHBondContact O-CG 3.37Å; L40-M44 PolarHBondContact O-N 3.07Å
41R83.8Confident83Confident161 Ų16183.4 Ų83.461%0.60848%0.484SS*.Hα-helixtrans-58.6-42.8176.4-176.1176.2175.8-175.80.8112.5S39 M44 W45S39-R41 PolarHBondContact O-N 3.36Å; R41-M44 PolarHBondContact O-N 3.19Å; R41-W45 VanDerWaalsContact O-CD1 3.24Å; R41-W45 PolarHBondContact O-N 3.15Å; R41-W45 VanDerWaalsContact O-N 3.1Å
42R84.8Confident83.5Confident54 Ų5480.7 Ų80.720%0.20448%0.476CS..Hα-helixtrans-67.8-37.9176.1-71.9-175.3-173.3176.35.8112.2G34 P35 G36 S37 S39 L40 M44 W45 A46G34-R42 PolarHBondContact O-NH1 2.83Å; G34-R42 PolarHBondContact O-NH2 3.32Å; P35-R42 PolarHBondContact O-NH2 3.46Å; G36-R42 VanDerWaalsContact C-NH2 3.28Å; G36-R42 PolarHBondContact O-NH1 3.25Å; G36-R42 PolarHBondContact O-NH2 3.15Å; S37-R42 PolarHBondContact O-NH1 3.12Å; S39-R42 PolarHBondContact O-N 3.11Å; L40-R42 PolarHBondContact O-N 3.03Å; R42-M44 VanDerWaalsContact C-N 3.32Å; R42-M44 PolarHBondContact O-N 2.99Å; R42-W45 PolarHBondContact O-N 3.02Å; R42-A46 VanDerWaalsContact O-CB 3.29Å; R42-A46 WeakPolarHBondContact O-CB 3.37Å; R42-A46 PolarHBondContact O-N 3.01Å
43G85.8Confident83.9Confident44 Ų4481.3 Ų81.345%0.45448%0.48SS..Hα-helixtrans-58.1-44.2173.700000112.1S39 L40 A46 A47S39-G43 PolarHBondContact O-N 3.31Å; L40-G43 PolarHBondContact O-N 2.96Å; G43-A46 PolarHBondContact O-N 2.86Å; G43-A47 WeakPolarHBondContact O-CB 3.48Å; G43-A47 PolarHBondContact O-N 2.83Å
44M88.3Confident84.6Confident117 Ų11780.1 Ų80.158%0.57648%0.484SS*.Hα-helixtrans-65.5-44176.9-67-172.9-64.400112.8L40 R41 R42 A47 A48L40-M44 WeakPolarHBondContact O-CG 3.37Å; L40-M44 PolarHBondContact O-N 3.07Å; R41-M44 PolarHBondContact O-N 3.19Å; R42-M44 VanDerWaalsContact C-N 3.32Å; R42-M44 PolarHBondContact O-N 2.99Å; M44-A47 PolarHBondContact O-N 3.38Å; M44-A48 WeakPolarHBondContact O-CB 3.24Å; M44-A48 PolarHBondContact O-N 2.77Å
45W88.8Confident85.6Confident96 Ų9681.3 Ų81.336%0.36449%0.488SS..Hα-helixtrans-65.1-39.7176.1-82.3105.1000112.6H31 V32 R41 R42 A48 V49H31-W45 HydrophobicContact CB-CB 4.13Å; H31-W45 HydrophobicContact CB-CD2 3.84Å; H31-W45 HydrophobicContact CB-CE3 4.32Å; H31-W45 HydrophobicContact CB-CG 3.73Å; H31-W45 AromaticContact CD2-CE2 3.95Å; H31-W45 AromaticContact CD2-CH2 3.96Å; H31-W45 AromaticContact CD2-CZ2 3.92Å; V32-W45 HydrophobicContact CG2-CB 4.3Å; R41-W45 VanDerWaalsContact O-CD1 3.24Å; R41-W45 PolarHBondContact O-N 3.15Å; R41-W45 VanDerWaalsContact O-N 3.1Å; R42-W45 PolarHBondContact O-N 3.02Å; W45-A48 PolarHBondContact O-N 3.14Å; W45-V49 VanDerWaalsContact O-CG2 3.31Å; W45-V49 WeakPolarHBondContact O-CG2 3.29Å; W45-V49 PolarHBondContact O-N 2.04Å
46A88.3Confident86.9Confident35 Ų3576.5 Ų76.529%0.28945%0.454SS..Hα-helixtrans-63.3-44.1175.200000111.5V32 R42 G43 V49 V50V32-A46 HydrophobicContact CG1-CB 4.34Å; V32-A46 HydrophobicContact CG2-CB 4.18Å; R42-A46 VanDerWaalsContact O-CB 3.29Å; R42-A46 WeakPolarHBondContact O-CB 3.37Å; R42-A46 PolarHBondContact O-N 3.01Å; G43-A46 PolarHBondContact O-N 2.86Å; A46-V49 PolarHBondContact O-N 2.79Å; A46-V50 WeakPolarHBondContact O-CB 3.31Å; A46-V50 VanDerWaalsContact O-CG2 3.23Å; A46-V50 WeakPolarHBondContact O-CG2 3.33Å; A46-V50 PolarHBondContact O-N 3.23Å
47A91.4Very high88.2Confident61 Ų6178.5 Ų78.550%0.50445%0.451SS..Hα-helixtrans-62.4-42.5175.700000112.1G43 M44 V50 L51G43-A47 WeakPolarHBondContact O-CB 3.48Å; G43-A47 PolarHBondContact O-N 2.83Å; M44-A47 PolarHBondContact O-N 3.38Å; A47-V50 PolarHBondContact O-N 3.17Å; A47-L51 WeakPolarHBondContact O-CB 3.17Å; A47-L51 PolarHBondContact O-N 3.44Å
48A91.3Very high89.4Confident46 Ų4681.3 Ų81.338%0.3845%0.447SS..Hα-helixtrans-63.6-46.6177.100000112.1M44 W45 V50 L51 S52M44-A48 WeakPolarHBondContact O-CB 3.24Å; M44-A48 PolarHBondContact O-N 2.77Å; W45-A48 PolarHBondContact O-N 3.14Å; A48-V50 PolarHBondContact O-N 2.88Å; A48-L51 PolarHBondContact O-N 3.23Å; A48-S52 WeakPolarHBondContact O-CB 3.46Å; A48-S52 PolarHBondContact O-N 2.99Å; A48-S52 PolarHBondContact O-OG 2.82Å
49V90.8Very high90.5Very high26 Ų2675.5 Ų75.516%0.15842%0.415CS..Hα-helixtrans-61.5-44.5176.6170.40000111.1V32 W45 A46 L51 S52 V53V32-V49 HydrophobicContact CG2-CG2 4.28Å; W45-V49 VanDerWaalsContact O-CG2 3.31Å; W45-V49 WeakPolarHBondContact O-CG2 3.29Å; W45-V49 PolarHBondContact O-N 2.04Å; A46-V49 PolarHBondContact O-N 2.79Å; V49-L51 PolarHBondContact O-N 3.09Å; V49-S52 PolarHBondContact O-N 3.17Å; V49-V53 HydrophobicContact CG1-CG2 4.41Å; V49-V53 WeakPolarHBondContact O-CB 3.01Å; V49-V53 VanDerWaalsContact O-CG2 3.27Å; V49-V53 WeakPolarHBondContact O-CG2 3.17Å; V49-V53 PolarHBondContact O-N 3.02Å
50V92.8Very high91.1Very high99 Ų9974.1 Ų74.160%0.640%0.404SS*.Hα-helixtrans-62.4-44177.5169.10000111.2A46 A47 A48 V53 A54A46-V50 WeakPolarHBondContact O-CB 3.31Å; A46-V50 VanDerWaalsContact O-CG2 3.23Å; A46-V50 WeakPolarHBondContact O-CG2 3.33Å; A46-V50 PolarHBondContact O-N 3.23Å; A47-V50 PolarHBondContact O-N 3.17Å; A48-V50 PolarHBondContact O-N 2.88Å; V50-V53 PolarHBondContact O-N 2.85Å; V50-A54 VanDerWaalsContact O-CB 3.28Å; V50-A54 WeakPolarHBondContact O-CB 3.45Å; V50-A54 PolarHBondContact O-N 2.83Å
51L94.8Very high91.7Very high114 Ų11469.8 Ų69.860%0.59739%0.39SS*.Hα-helixtrans-63.4-46.6177.5-177.661.7000111.3A47 A48 V49 V53 A54 T55A47-L51 WeakPolarHBondContact O-CB 3.17Å; A47-L51 PolarHBondContact O-N 3.44Å; A48-L51 PolarHBondContact O-N 3.23Å; V49-L51 PolarHBondContact O-N 3.09Å; L51-V53 PolarHBondContact O-N 2.95Å; L51-A54 PolarHBondContact O-N 2.88Å; L51-T55 PolarHBondContact O-N 2.79Å; L51-T55 PolarHBondContact O-OG1 2.94Å; L51-T55 VanDerWaalsContact O-OG1 3.12Å
52S93.1Very high92.3Very high39 Ų3966.1 Ų66.127%0.27338%0.38SS..Hα-helixtrans-59.7-44.3177.4-690000112.4A48 V49 F56 F445A48-S52 WeakPolarHBondContact O-CB 3.46Å; A48-S52 PolarHBondContact O-N 2.99Å; A48-S52 PolarHBondContact O-OG 2.82Å; V49-S52 PolarHBondContact O-N 3.17Å; S52-F56 VanDerWaalsContact O-CB 3.31Å; S52-F56 WeakPolarHBondContact O-CB 3.41Å; S52-F56 PolarHBondContact O-N 3.15Å; S52-F445 WeakPolarHBondContact CB-O 3.49Å
53V91.8Very high92.8Very high47 Ų4766.4 Ų66.429%0.28538%0.381SS..Hα-helixtrans-65.8-41.8176.3172.10000111V49 V50 L51 F56 L57 I446V49-V53 HydrophobicContact CG1-CG2 4.41Å; V49-V53 WeakPolarHBondContact O-CB 3.01Å; V49-V53 VanDerWaalsContact O-CG2 3.27Å; V49-V53 WeakPolarHBondContact O-CG2 3.17Å; V49-V53 PolarHBondContact O-N 3.02Å; V50-V53 PolarHBondContact O-N 2.85Å; L51-V53 PolarHBondContact O-N 2.95Å; V53-F56 PolarHBondContact O-N 3.49Å; V53-L57 HydrophobicContact CG1-CD1 3.93Å; V53-L57 HydrophobicContact CG1-CG 4.32Å; V53-L57 WeakPolarHBondContact O-CB 3.46Å; V53-L57 VanDerWaalsContact O-CG 3.28Å; V53-L57 WeakPolarHBondContact O-CG 3.43Å; V53-L57 PolarHBondContact O-N 3.24Å; V53-I446 HydrophobicContact CG2-CD1 4.02Å; V53-I446 HydrophobicContact CG2-CG1 4.17Å
54A95.1Very high93.2Very high53 Ų5366.2 Ų66.244%0.43837%0.37SS..Hα-helixtrans-63.4-44.7177.900000112.1V50 L51 L57 Y58V50-A54 VanDerWaalsContact O-CB 3.28Å; V50-A54 WeakPolarHBondContact O-CB 3.45Å; V50-A54 PolarHBondContact O-N 2.83Å; L51-A54 PolarHBondContact O-N 2.88Å; A54-L57 PolarHBondContact O-N 2.62Å; A54-Y58 WeakPolarHBondContact O-CB 3.16Å; A54-Y58 PolarHBondContact O-N 2.83Å
55T94.5Very high93.5Very high46 Ų4668.6 Ų68.628%0.28237%0.373SS..Hα-helixtrans-64.6-42.6175.9-58.90000111.6L51 Y58 Q59 F445L51-T55 PolarHBondContact O-N 2.79Å; L51-T55 PolarHBondContact O-OG1 2.94Å; L51-T55 VanDerWaalsContact O-OG1 3.12Å; T55-Y58 PolarHBondContact O-N 3.13Å; T55-Q59 WeakPolarHBondContact O-CG 3.28Å; T55-Q59 PolarHBondContact O-N 3.01Å; T55-F445 HydrophobicContact CG2-CD1 4.3Å; T55-F445 HydrophobicContact CG2-CE1 3.65Å; T55-F445 HydrophobicContact CG2-CE2 4.38Å; T55-F445 HydrophobicContact CG2-CZ 3.72Å
56F94.2Very high93.7Very high25 Ų2567.6 Ų67.611%0.1137%0.37CS..Hα-helixtrans-57.7-52174.3167.9-108.4000111.8S52 V53 Y58 Q59 V60 Q441 M442 F445 I446S52-F56 VanDerWaalsContact O-CB 3.31Å; S52-F56 WeakPolarHBondContact O-CB 3.41Å; S52-F56 PolarHBondContact O-N 3.15Å; V53-F56 PolarHBondContact O-N 3.49Å; F56-Y58 VanDerWaalsContact C-N 3.28Å; F56-Y58 PolarHBondContact O-N 2.7Å; F56-Q59 PolarHBondContact O-N 2.82Å; F56-V60 HydrophobicContact CD2-CG2 3.87Å; F56-V60 HydrophobicContact CE1-CG2 4.23Å; F56-V60 HydrophobicContact CE2-CG2 3.38Å; F56-V60 HydrophobicContact CG-CG2 4.46Å; F56-V60 HydrophobicContact CZ-CG2 3.61Å; F56-V60 WeakPolarHBondContact O-CG2 3.48Å; F56-V60 PolarHBondContact O-N 3.18Å; F56-Q441 HydrophobicContact CD2-CB 3.92Å; F56-Q441 HydrophobicContact CE2-CB 4.1Å; F56-M442 HydrophobicContact CD2-CB 4.43Å; F56-M442 VanDerWaalsContact CE2-CA 3.4Å; F56-M442 HydrophobicContact CE2-CB 3.58Å; F56-M442 HydrophobicContact CE2-CG 4.37Å; F56-M442 VanDerWaalsContact CE2-N 3.33Å; F56-M442 HydrophobicContact CZ-CB 3.83Å; F56-M442 HydrophobicContact CZ-CG 4.21Å; F56-F445 HydrophobicContact CB-CB 3.99Å; F56-F445 HydrophobicContact CB-CD2 4.26Å; F56-F445 HydrophobicContact CB-CG 4.3Å; F56-I446 HydrophobicContact CB-CD1 4.07Å; F56-I446 HydrophobicContact CB-CG1 4.42Å; F56-I446 HydrophobicContact CD1-CD1 3.39Å; F56-I446 HydrophobicContact CE1-CD1 3.92Å; F56-I446 HydrophobicContact CG-CD1 3.74Å; F56-I446 HydrophobicContact CG-CG1 4.44Å
57L94.4Very high94Very high102 Ų10267.9 Ų67.953%0.53436%0.364SS..Hα-helixtrans-61.9-37.6179.8-70.2174.6000112.1V53 A54 A61V53-L57 HydrophobicContact CG1-CD1 3.93Å; V53-L57 HydrophobicContact CG1-CG 4.32Å; V53-L57 WeakPolarHBondContact O-CB 3.46Å; V53-L57 VanDerWaalsContact O-CG 3.28Å; V53-L57 WeakPolarHBondContact O-CG 3.43Å; V53-L57 PolarHBondContact O-N 3.24Å; A54-L57 PolarHBondContact O-N 2.62Å; L57-A61 VanDerWaalsContact O-CB 3.25Å; L57-A61 WeakPolarHBondContact O-CB 3.4Å; L57-A61 PolarHBondContact O-N 2.93Å
58Y95.8Very high94.1Very high159 Ų15973.4 Ų73.462%0.62437%0.372SS*.Hα-helixtrans-62.3-49.4174.4177.3-96.5000111.7A54 T55 F56 A61 E62A54-Y58 WeakPolarHBondContact O-CB 3.16Å; A54-Y58 PolarHBondContact O-N 2.83Å; T55-Y58 PolarHBondContact O-N 3.13Å; F56-Y58 VanDerWaalsContact C-N 3.28Å; F56-Y58 PolarHBondContact O-N 2.7Å; Y58-A61 PolarHBondContact O-N 3.48Å; Y58-E62 PolarHBondContact O-N 2.8Å
59Q95.5Very high94.2Very high56 Ų5675.5 Ų75.526%0.26237%0.373SS..Hα-helixtrans-65.3-40.7179.8-69.7-168.527.100112.3T55 F56 E62 R63 Q441T55-Q59 WeakPolarHBondContact O-CG 3.28Å; T55-Q59 PolarHBondContact O-N 3.01Å; F56-Q59 PolarHBondContact O-N 2.82Å; Q59-E62 WeakPolarHBondContact O-CB 3.41Å; Q59-E62 PolarHBondContact O-N 3.06Å; Q59-R63 WeakPolarHBondContact O-CG 3.5Å; Q59-R63 PolarHBondContact O-N 3.47Å; Q59-Q441 VanDerWaalsContact OE1-CD 3.27Å; Q59-Q441 VanDerWaalsContact OE1-NE2 3.11Å
60V94.9Very high94.3Very high26 Ų2677.2 Ų77.216%0.15838%0.379CS..Hα-helixtrans-62.1-45.1174.6170.90000110.7F56 E62 R63 V64 I438F56-V60 HydrophobicContact CD2-CG2 3.87Å; F56-V60 HydrophobicContact CE1-CG2 4.23Å; F56-V60 HydrophobicContact CE2-CG2 3.38Å; F56-V60 HydrophobicContact CG-CG2 4.46Å; F56-V60 HydrophobicContact CZ-CG2 3.61Å; F56-V60 WeakPolarHBondContact O-CG2 3.48Å; F56-V60 PolarHBondContact O-N 3.18Å; V60-E62 VanDerWaalsContact C-N 3.26Å; V60-E62 PolarHBondContact O-N 2.84Å; V60-R63 PolarHBondContact O-N 3.32Å; V60-V64 HydrophobicContact CG1-CG2 4.18Å; V60-V64 WeakPolarHBondContact O-CB 3.37Å; V60-V64 VanDerWaalsContact O-CG2 3.24Å; V60-V64 WeakPolarHBondContact O-CG2 3.03Å; V60-V64 PolarHBondContact O-N 3.39Å; V60-I438 HydrophobicContact CG1-CD1 4.29Å; V60-I438 HydrophobicContact CG1-CG1 4.19Å; V60-I438 HydrophobicContact CG2-CG1 4.29Å; V60-I438 HydrophobicContact CG2-CG2 4.31Å
61A95.6Very high94.3Very high59 Ų5975.9 Ų75.949%0.48837%0.366SS..Hα-helixtrans-59.7-39.4176.900000111.7L57 Y58 R65L57-A61 VanDerWaalsContact O-CB 3.25Å; L57-A61 WeakPolarHBondContact O-CB 3.4Å; L57-A61 PolarHBondContact O-N 2.93Å; Y58-A61 PolarHBondContact O-N 3.48Å; A61-R65 WeakPolarHBondContact O-CB 3.39Å; A61-R65 PolarHBondContact O-N 3.47Å
62E96.1Very high94.3Very high84 Ų8474 Ų7439%0.39335%0.354SS..Hα-helixtrans-65.5-48175.8-162.6-156.2139.400112.1Y58 Q59 V60 V64 R65 Y66Y58-E62 PolarHBondContact O-N 2.8Å; Q59-E62 WeakPolarHBondContact O-CB 3.41Å; Q59-E62 PolarHBondContact O-N 3.06Å; V60-E62 VanDerWaalsContact C-N 3.26Å; V60-E62 PolarHBondContact O-N 2.84Å; E62-V64 VanDerWaalsContact C-N 3.35Å; E62-V64 PolarHBondContact O-N 3.01Å; E62-R65 WeakPolarHBondContact O-CB 3.4Å; E62-R65 PolarHBondContact O-N 3.1Å; E62-Y66 PolarHBondContact O-N 2.92Å
63R95Very high94.3Very high61 Ų6178.1 Ų78.123%0.2337%0.369CS..Hα-helixtrans-63-39.9177.3-67-57.391-174.12.6112.1Q59 V60 Y66 Y67 L434 D437Q59-R63 WeakPolarHBondContact O-CG 3.5Å; Q59-R63 PolarHBondContact O-N 3.47Å; V60-R63 PolarHBondContact O-N 3.32Å; R63-Y66 PolarHBondContact O-N 3.17Å; R63-Y67 PolarHBondContact O-N 3.06Å; R63-L434 HydrophobicContact CB-CD1 4Å; R63-D437 HydrophobicContact CG-CB 4.42Å
64V94.6Very high94.5Very high39 Ų3980 Ų8024%0.23638%0.381CS..Hα-helixtrans-66.2-38.8174.6172.10000111.1V60 E62 R68 L434 I438V60-V64 HydrophobicContact CG1-CG2 4.18Å; V60-V64 WeakPolarHBondContact O-CB 3.37Å; V60-V64 VanDerWaalsContact O-CG2 3.24Å; V60-V64 WeakPolarHBondContact O-CG2 3.03Å; V60-V64 PolarHBondContact O-N 3.39Å; E62-V64 VanDerWaalsContact C-N 3.35Å; E62-V64 PolarHBondContact O-N 3.01Å; V64-R68 WeakPolarHBondContact O-CG 3.48Å; V64-R68 PolarHBondContact O-N 2.89Å; V64-L434 HydrophobicContact CG2-CD1 4.29Å; V64-I438 HydrophobicContact CG2-CD1 4.43Å
65R95.1Very high94.4Very high168 Ų16879 Ų7963%0.63437%0.372SS*.Hα-helixtrans-60.3-49.9172.1-108.2-16271.3108.66.9111.2A61 E62 Y67 R68 E69A61-R65 WeakPolarHBondContact O-CB 3.39Å; A61-R65 PolarHBondContact O-N 3.47Å; E62-R65 WeakPolarHBondContact O-CB 3.4Å; E62-R65 PolarHBondContact O-N 3.1Å; R65-Y67 VanDerWaalsContact C-N 3.32Å; R65-Y67 PolarHBondContact O-N 3.43Å; R65-R68 CarbonylContact O-C 3.6Å; R65-R68 PolarHBondContact O-N 3.49Å; R65-R68 VanDerWaalsContact O-N 3.08Å; R65-E69 IonicContact CZ-OE1 3.64Å; R65-E69 IonicContact NE-OE1 3.65Å; R65-E69 IonicContact NH2-OE1 2.8Å; R65-E69 PolarHBondContact NH2-OE1 3.37Å; R65-E69 WeakPolarHBondContact O-CG 3.45Å; R65-E69 PolarHBondContact O-N 2.85Å; R65-E69 VanDerWaalsContact O-N 3.13Å
66Y93.8Very high94.4Very high74 Ų7482.4 Ų82.429%0.2939%0.388SS..Hα-helixtrans-59.4-42.2179.4-174.5-101.2000111.9E62 R63 R68 E69 H71 Y429E62-Y66 PolarHBondContact O-N 2.92Å; R63-Y66 PolarHBondContact O-N 3.17Å; Y66-R68 VanDerWaalsContact C-N 3.33Å; Y66-R68 PolarHBondContact O-N 3.19Å; Y66-E69 WeakPolarHBondContact O-CB 3.43Å; Y66-E69 PolarHBondContact O-N 2.9Å; Y66-E69 VanDerWaalsContact O-N 3.17Å; Y66-H71 AromaticContact CD2-CD2 3.6Å; Y66-H71 AromaticContact CD2-NE2 3.77Å; Y66-H71 AromaticContact CE2-CD2 3.21Å; Y66-H71 WeakPolarHBondContact CE2-CD2 3.41Å; Y66-H71 AromaticContact CE2-NE2 3.52Å; Y66-H71 AromaticContact CZ-CD2 3.51Å; Y66-Y429 HydrophobicContact CD1-CD1 4.19Å; Y66-Y429 HydrophobicContact CD1-CG 4.2Å; Y66-Y429 HydrophobicContact CE1-CD2 4.49Å; Y66-Y429 HydrophobicContact CE1-CG 4.18Å
67Y93.5Very high94.3Very high41 Ų4184.7 Ų84.716%0.16140%0.401CS..Hα-helixtrans-61.1-40.7173.8177.7-102.2000112.5R63 R65 E69 F70 Y429 M431 L434R63-Y67 PolarHBondContact O-N 3.06Å; R65-Y67 VanDerWaalsContact C-N 3.32Å; R65-Y67 PolarHBondContact O-N 3.43Å; Y67-E69 PolarHBondContact O-N 3.33Å; Y67-F70 PolarHBondContact O-N 2.71Å; Y67-F70 VanDerWaalsContact O-N 3.12Å; Y67-Y429 AromaticContact CD2-CD1 3.84Å; Y67-Y429 HydrophobicContact CD2-CD1 3.84Å; Y67-Y429 HydrophobicContact CD2-CE1 4.46Å; Y67-Y429 HydrophobicContact CG-CD1 4.38Å; Y67-M431 HydrophobicContact CD1-CE 3.65Å; Y67-M431 HydrophobicContact CD2-CE 3.62Å; Y67-M431 HydrophobicContact CE1-CE 3.22Å; Y67-M431 HydrophobicContact CE1-SD 3.82Å; Y67-M431 HydrophobicContact CE2-CE 3.22Å; Y67-M431 HydrophobicContact CE2-CG 4.26Å; Y67-M431 HydrophobicContact CE2-SD 4.09Å; Y67-M431 HydrophobicContact CG-CE 3.85Å; Y67-M431 WeakPolarHBondContact OH-CE 3.29Å; Y67-M431 WeakPolarHBondContact OH-CG 3.49Å; Y67-M431 PolarHBondContact OH-SD 3.44Å; Y67-L434 HydrophobicContact CD1-CD2 4.13Å; Y67-L434 HydrophobicContact CG-CD2 4.02Å
68R93.3Very high94.2Very high178 Ų17885.7 Ų85.767%0.67240%0.403SS*.Hα-helixtrans-71.8-10.5177.8-73.2179.4-178.1-174.62114.2V64 R65 Y66 F70V64-R68 WeakPolarHBondContact O-CG 3.48Å; V64-R68 PolarHBondContact O-N 2.89Å; R65-R68 CarbonylContact O-C 3.6Å; R65-R68 PolarHBondContact O-N 3.49Å; R65-R68 VanDerWaalsContact O-N 3.08Å; Y66-R68 VanDerWaalsContact C-N 3.33Å; Y66-R68 PolarHBondContact O-N 3.19Å; R68-F70 VanDerWaalsContact C-N 3.26Å; R68-F70 WeakPolarHBondContact O-CD2 3.24Å; R68-F70 VanDerWaalsContact O-CE2 3.22Å; R68-F70 WeakPolarHBondContact O-CE2 3.43Å
69E93.8Very high93.9Very high89 Ų8983.5 Ų83.542%0.41639%0.394SS..THydrogen-bonded Turntrans-81.7-7.6171.4-69.8169.8-17400111.9R65 Y66 Y67 H71R65-E69 IonicContact CZ-OE1 3.64Å; R65-E69 IonicContact NE-OE1 3.65Å; R65-E69 IonicContact NH2-OE1 2.8Å; R65-E69 PolarHBondContact NH2-OE1 3.37Å; R65-E69 WeakPolarHBondContact O-CG 3.45Å; R65-E69 PolarHBondContact O-N 2.85Å; R65-E69 VanDerWaalsContact O-N 3.13Å; Y66-E69 WeakPolarHBondContact O-CB 3.43Å; Y66-E69 PolarHBondContact O-N 2.9Å; Y66-E69 VanDerWaalsContact O-N 3.17Å; Y67-E69 PolarHBondContact O-N 3.33Å; E69-H71 VanDerWaalsContact C-N 3.3Å; E69-H71 VanDerWaalsContact CB-NE2 3.32Å; E69-H71 WeakPolarHBondContact CB-NE2 3.15Å; E69-H71 PolarHBondContact O-N 2.75Å; E69-H71 IonicContact OE2-CD2 3.75Å; E69-H71 IonicContact OE2-CE1 3.54Å; E69-H71 IonicContact OE2-NE2 3.69Å; E69-H71 PolarHBondContact OE2-NE2 3.39Å
70F92.9Very high93.6Very high63 Ų6388.6 Ų88.628%0.27642%0.418SS..THydrogen-bonded Turntrans52.840.1173.3-58.2-76.9000114.6Y67 R68 P278 W279Y67-F70 PolarHBondContact O-N 2.71Å; Y67-F70 VanDerWaalsContact O-N 3.12Å; R68-F70 VanDerWaalsContact C-N 3.26Å; R68-F70 WeakPolarHBondContact O-CD2 3.24Å; R68-F70 VanDerWaalsContact O-CE2 3.22Å; R68-F70 WeakPolarHBondContact O-CE2 3.43Å; F70-P278 HydrophobicContact CD1-CB 4.24Å; F70-P278 HydrophobicContact CD1-CG 3.65Å; F70-P278 HydrophobicContact CD2-CB 3.92Å; F70-P278 HydrophobicContact CD2-CG 4.19Å; F70-P278 HydrophobicContact CE1-CB 4.36Å; F70-P278 HydrophobicContact CE1-CG 3.59Å; F70-P278 HydrophobicContact CE2-CB 4.05Å; F70-P278 HydrophobicContact CE2-CG 4.15Å; F70-P278 HydrophobicContact CG-CB 4.01Å; F70-P278 HydrophobicContact CG-CG 3.95Å; F70-P278 HydrophobicContact CZ-CB 4.27Å; F70-P278 HydrophobicContact CZ-CG 3.86Å; F70-W279 HydrophobicContact CB-CG 4.32Å; F70-W279 HydrophobicContact CD1-CD2 4.37Å; F70-W279 AromaticContact CD1-CE2 3.82Å; F70-W279 HydrophobicContact CD1-CZ2 4.14Å; F70-W279 AromaticContact CD1-NE1 3.7Å; F70-W279 HydrophobicContact CE1-CZ2 4.37Å
71H92.9Very high93.2Very high70 Ų7088.6 Ų88.632%0.32442%0.419SS..  trans-55.8143.1177.9-67.1-69.2000112.3Y66 E69 A428Y66-H71 AromaticContact CD2-CD2 3.6Å; Y66-H71 AromaticContact CD2-NE2 3.77Å; Y66-H71 AromaticContact CE2-CD2 3.21Å; Y66-H71 WeakPolarHBondContact CE2-CD2 3.41Å; Y66-H71 AromaticContact CE2-NE2 3.52Å; Y66-H71 AromaticContact CZ-CD2 3.51Å; E69-H71 VanDerWaalsContact C-N 3.3Å; E69-H71 VanDerWaalsContact CB-NE2 3.32Å; E69-H71 WeakPolarHBondContact CB-NE2 3.15Å; E69-H71 PolarHBondContact O-N 2.75Å; E69-H71 IonicContact OE2-CD2 3.75Å; E69-H71 IonicContact OE2-CE1 3.54Å; E69-H71 IonicContact OE2-NE2 3.69Å; E69-H71 PolarHBondContact OE2-NE2 3.39Å; H71-A428 VanDerWaalsContact C-CB 3.48Å; H71-A428 HydrophobicContact CB-CB 3.8Å; H71-A428 WeakPolarHBondContact O-CB 3.36Å; H71-A428 PolarHBondContact O-N 3.36Å
72H94.4Very high92.8Very high76 Ų7693.3 Ų93.335%0.35243%0.431SS..EExtended strand (participates in β ladder)trans-129.8158.5173.364.5-96.7000110.3L275 W279 Q425 K426H72-L275 HydrophobicContact CB-CD1 3.95Å; H72-W279 PolarHBondContact CE1-O 2.79Å; H72-W279 PolarHBondContact ND1-O 3.47Å; H72-Q425 PolarHBondContact NE2-NE2 3.48Å; H72-K426 CarbonylContact C-O 3.53Å; H72-K426 VanDerWaalsContact CA-O 3.25Å; H72-K426 WeakPolarHBondContact CA-O 3.36Å; H72-K426 WeakPolarHBondContact CB-O 3.28Å
73Q94.2Very high92.5Very high124 Ų12497.3 Ų97.358%0.57944%0.442SS*.EExtended strand (participates in β ladder)trans-125.3150.3175.7-67.1176.232.900109Q425 K426 A428Q73-Q425 WeakPolarHBondContact O-CA 3.48Å; Q73-K426 PolarHBondContact N-O 3.27Å; Q73-K426 PolarHBondContact O-N 2.89Å; Q73-A428 HydrophobicContact CG-CB 3.78Å
74T94.6Very high92.4Very high88 Ų8894.8 Ų94.854%0.5443%0.433SS..EExtended strand (participates in β ladder)trans-97.3122.3176.1-55.40000109.3V423T74-V423 HydrophobicContact CG2-CG1 3.51Å
75A94.2Very high92.4Very high31 Ų3196.5 Ų96.526%0.25644%0.44SS..EExtended strand (participates in β ladder)trans-94.4125.8170.500000109.3E424 K426A75-E424 PolarHBondContact N-O 2.84Å; A75-E424 PolarHBondContact O-N 3.05Å; A75-K426 HydrophobicContact CB-CD 4.11Å
76L93.7Very high92.5Very high117 Ų11788.6 Ų88.661%0.61341%0.41SS*.EExtended strand (participates in β ladder)trans-106.6124.4172.7-163.771.1000108.1E421 V423L76-E421 HydrophobicContact CD1-CG 3.81Å; L76-E421 WeakPolarHBondContact CD1-OE1 3.32Å; L76-E421 WeakPolarHBondContact CD2-OE1 3.38Å; L76-E421 HydrophobicContact CG-CG 4.37Å; L76-E421 WeakPolarHBondContact CG-OE1 3.21Å; L76-V423 HydrophobicContact CD1-CB 4.47Å; L76-V423 HydrophobicContact CD1-CG2 3.7Å
77D93.1Very high92.6Very high73 Ų7385.1 Ų85.139%0.3940%0.397SS..EExtended strand (participates in β ladder)trans-140.3138.8178.5-178.735.8000109.4R79 E421 T422D77-R79 IonicContact OD2-CZ 2.78Å; D77-R79 IonicContact OD2-NE 3.33Å; D77-R79 PolarHBondContact OD2-NE 2.68Å; D77-R79 IonicContact OD2-NH2 2.77Å; D77-R79 PolarHBondContact OD2-NH2 3.29Å; D77-E421 CarbonylContact O-C 3.55Å; D77-T422 WeakPolarHBondContact CB-OG1 3.37Å; D77-T422 PolarHBondContact N-O 2.84Å; D77-T422 PolarHBondContact O-N 2.84Å; D77-T422 PolarHBondContact O-OG1 3.18Å
78E91.4Very high92.8Very high123 Ų12383.1 Ų83.158%0.57539%0.389SS*.EExtended strand (participates in β ladder)trans-112.8118.2-178.2-173.1-176.9161.900108.4N419E78-N419 HydrophobicContact CG-CB 4.06Å; E78-N419 PolarHBondContact OE1-ND2 2.63Å
79R90.2Very high93Very high113 Ų11374.7 Ų74.743%0.42636%0.357SS..EExtended strand (participates in β ladder)trans-115.4130.6-172.8-65.2-173-179.4177.99.3110.9D77 N419 Y420D77-R79 IonicContact OD2-CZ 2.78Å; D77-R79 IonicContact OD2-NE 3.33Å; D77-R79 PolarHBondContact OD2-NE 2.68Å; D77-R79 IonicContact OD2-NH2 2.77Å; D77-R79 PolarHBondContact OD2-NH2 3.29Å; R79-N419 CarbonylContact O-C 3.29Å; R79-N419 VanDerWaalsContact O-CA 3.24Å; R79-N419 WeakPolarHBondContact O-CA 3.2Å; R79-Y420 HydrophobicContact CB-CD1 4.12Å; R79-Y420 HydrophobicContact CB-CE1 3.58Å; R79-Y420 HydrophobicContact CB-CE2 4.06Å; R79-Y420 WeakPolarHBondContact CD-OH 3.37Å; R79-Y420 PolarHBondContact N-O 3.11Å; R79-Y420 WeakPolarHBondContact O-CD1 3.23Å; R79-Y420 PolarHBondContact O-N 2.98Å
80E88.3Confident93.3Very high163 Ų16370.4 Ų70.476%0.76234%0.337SS*.EExtended strand (participates in β ladder)trans-74.1135.2171.5-165.3179.1176.200110.2
81S87.2Confident93.5Very high26 Ų2667.5 Ų67.518%0.18232%0.324CS..  trans-122.7143.2171.4-178.30000109.7R83 L418S81-R83 VanDerWaalsContact C-N 3.32Å; S81-R83 PolarHBondContact OG-N 2.78Å; S81-R83 PolarHBondContact OG-O 2.84Å; S81-L418 WeakPolarHBondContact CA-O 3.47Å; S81-L418 PolarHBondContact N-O 2.99Å; S81-L418 WeakPolarHBondContact O-CB 3.38Å
82H85.8Confident93.7Very high159 Ų15964.1 Ų64.174%0.73631%0.309SS*.SBendtrans-82.5-14.3172.8-61.8-56.3000112.9
83R90.8Very high93.8Very high168 Ų16860.9 Ų60.963%0.63429%0.294SS*.  trans-152.9123.6-178.1-173.5174.468.1173.72.2110.5S81 T200 T201 T202S81-R83 VanDerWaalsContact C-N 3.32Å; S81-R83 PolarHBondContact OG-N 2.78Å; S81-R83 PolarHBondContact OG-O 2.84Å; R83-T200 HydrophobicContact CG-CG2 4.13Å; R83-T201 WeakPolarHBondContact CA-O 3.24Å; R83-T202 HydrophobicContact CG-CG2 4.39Å
84L92.9Very high93.9Very high7 Ų755.7 Ų55.74%0.03727%0.27CS..EExtended strand (participates in β ladder)trans-112144.1173.9-64.3178.3000110.3T200 T201 F415 L418 Y420L84-T200 CarbonylContact O-C 3.5Å; L84-T200 VanDerWaalsContact O-CA 3.25Å; L84-T200 WeakPolarHBondContact O-CA 3.39Å; L84-T200 WeakPolarHBondContact O-CB 3.46Å; L84-T201 HydrophobicContact CB-CG2 4.28Å; L84-T201 PolarHBondContact N-O 3.45Å; L84-T201 PolarHBondContact O-N 3.03Å; L84-F415 HydrophobicContact CB-CE2 4.08Å; L84-F415 HydrophobicContact CB-CZ 4.38Å; L84-F415 HydrophobicContact CD1-CD1 4.33Å; L84-F415 HydrophobicContact CD1-CD2 4.45Å; L84-F415 HydrophobicContact CD1-CE1 4.45Å; L84-F415 HydrophobicContact CD1-CG 4.33Å; L84-L418 HydrophobicContact CD1-CD2 4.35Å; L84-L418 HydrophobicContact CG-CD2 4.43Å; L84-Y420 HydrophobicContact CD2-CD1 4.27Å
85I94.8Very high93.8Very high75 Ų7551.7 Ų51.739%0.38525%0.246SC..EExtended strand (participates in β ladder)trans-72.7127.6169.9-62.3171.9000106.9L198 T200I85-L198 HydrophobicContact CG2-CB 4.09Å; I85-L198 HydrophobicContact CG2-CD1 4.08Å; I85-T200 HydrophobicContact CG1-CG2 4.13Å
86F96.6Very high93.7Very high2 Ų252 Ų521%0.00925%0.245CC..PPolyproline II helixtrans-69.3140.3175.9-165.6-102.3000108.6V89 F166 F189 N190 L199 L210 Q244 I413 F415F86-V89 HydrophobicContact CE1-CG2 4Å; F86-F166 HydrophobicContact CB-CE2 4.18Å; F86-F166 HydrophobicContact CB-CZ 4.1Å; F86-F166 AromaticContact CD1-CE2 3.81Å; F86-F166 HydrophobicContact CD1-CE2 3.81Å; F86-F166 HydrophobicContact CD1-CZ 4.49Å; F86-F166 AromaticContact CD2-CE2 3.85Å; F86-F166 HydrophobicContact CD2-CE2 3.85Å; F86-F166 HydrophobicContact CD2-CZ 4.44Å; F86-F166 HydrophobicContact CE1-CE2 4.13Å; F86-F166 HydrophobicContact CE2-CE2 4.18Å; F86-F166 AromaticContact CG-CE2 3.66Å; F86-F166 HydrophobicContact CG-CE2 3.66Å; F86-F166 HydrophobicContact CG-CZ 4.09Å; F86-F166 HydrophobicContact CZ-CE2 4.31Å; F86-F189 HydrophobicContact CD1-CD1 4.23Å; F86-F189 AromaticContact CD1-CE1 3.99Å; F86-F189 HydrophobicContact CD1-CE1 3.99Å; F86-F189 HydrophobicContact CE1-CD1 4.06Å; F86-F189 AromaticContact CE1-CE1 3.99Å; F86-F189 HydrophobicContact CE1-CE1 3.99Å; F86-N190 PolarHBondContact O-ND2 3.49Å; F86-L199 WeakPolarHBondContact CB-O 3.36Å; F86-L199 PolarHBondContact N-O 3.11Å; F86-L210 HydrophobicContact CE1-CB 3.89Å; F86-L210 HydrophobicContact CZ-CB 3.66Å; F86-Q244 PolarHBondContact O-NE2 3.32Å; F86-I413 HydrophobicContact CZ-CB 4.31Å; F86-I413 HydrophobicContact CZ-CG2 3.98Å; F86-I413 WeakPolarHBondContact CZ-O 3.33Å; F86-F415 HydrophobicContact CD2-CD2 4.5Å; F86-F415 HydrophobicContact CD2-CE2 4.14Å
87P96.8Very high93.7Very high1 Ų146.7 Ų46.71%0.00622%0.217CC..PPolyproline II helixtrans-65167.1-179.726.5-35.6000112.3N190 I241 Y375P87-N190 PolarHBondContact O-ND2 3.05Å; P87-I241 HydrophobicContact CB-CG2 3.54Å; P87-I241 HydrophobicContact CG-CG2 3.55Å; P87-Y375 HydrophobicContact CB-CD1 4.25Å; P87-Y375 HydrophobicContact CB-CD2 4.05Å; P87-Y375 HydrophobicContact CB-CE1 3.92Å; P87-Y375 HydrophobicContact CB-CE2 3.72Å; P87-Y375 HydrophobicContact CB-CG 4.31Å; P87-Y375 HydrophobicContact CG-CD1 4.46Å; P87-Y375 HydrophobicContact CG-CE1 4.33Å
88A97.4Very high93.7Very high0 Ų044.1 Ų44.10%020%0.202CC..EExtended strand (participates in β ladder)trans-76.7133.6161.200000108.9T188 F189 H242 Q244A88-T188 HydrophobicContact CB-CG2 4.03Å; A88-F189 WeakPolarHBondContact CA-O 3.39Å; A88-H242 PolarHBondContact N-O 3.21Å; A88-H242 PolarHBondContact O-N 2.89Å; A88-Q244 HydrophobicContact CB-CG 4.27Å
89V98.1Very high93.8Very high0 Ų041.5 Ų41.50%019%0.187CC..EExtended strand (participates in β ladder)trans-117.1104.9178.2-179.30000108.6F86 T188 F189 L210 V239 I241 I413F86-V89 HydrophobicContact CE1-CG2 4Å; V89-T188 CarbonylContact O-C 3.6Å; V89-T188 WeakPolarHBondContact O-CA 3.29Å; V89-F189 HydrophobicContact CB-CB 4.24Å; V89-F189 PolarHBondContact N-O 3.12Å; V89-F189 PolarHBondContact O-N 3.32Å; V89-L210 HydrophobicContact CB-CD2 4.31Å; V89-L210 HydrophobicContact CG1-CD2 4.39Å; V89-L210 HydrophobicContact CG2-CD2 4.28Å; V89-V239 HydrophobicContact CG1-CG1 3.72Å; V89-I241 HydrophobicContact CG2-CG1 4.49Å; V89-I413 HydrophobicContact CB-CD1 4.26Å; V89-I413 HydrophobicContact CG1-CD1 3.4Å; V89-I413 VanDerWaalsContact CG1-CD1 3.4Å; V89-I413 HydrophobicContact CG2-CD1 3.81Å; V89-I413 HydrophobicContact CG2-CG2 4.46Å
90T98.3Very high93.9Very high0 Ų037.8 Ų37.80%018%0.178CC..EExtended strand (participates in β ladder)trans-92.9128.3174.8-61.10000110I179 C186 Y187 T188 V239 Q240 H242 P248 I250T90-I179 HydrophobicContact CG2-CG2 4.21Å; T90-C186 HydrophobicContact CG2-CB 4.4Å; T90-Y187 CarbonylContact C-O 3.48Å; T90-Y187 WeakPolarHBondContact CA-O 3.33Å; T90-T188 WeakPolarHBondContact OG1-CG2 3.35Å; T90-T188 PolarHBondContact OG1-OG1 3.49Å; T90-T188 VanDerWaalsContact OG1-OG1 3.07Å; T90-V239 CarbonylContact O-C 3.49Å; T90-V239 VanDerWaalsContact O-CA 3.29Å; T90-V239 WeakPolarHBondContact O-CA 3.25Å; T90-Q240 PolarHBondContact N-O 3.43Å; T90-Q240 PolarHBondContact O-N 3.49Å; T90-H242 PolarHBondContact OG1-NE2 2.64Å; T90-P248 HydrophobicContact CG2-CB 3.88Å; T90-P248 HydrophobicContact CG2-CG 4Å; T90-I250 HydrophobicContact CG2-CD1 4.23Å; T90-I250 WeakPolarHBondContact O-CD1 3.4Å
91L97.6Very high94.1Very high1 Ų135.6 Ų35.61%0.00516%0.163CC..EExtended strand (participates in β ladder)trans-123.9143.1175.563.389.4000111.6L157 F176 C186 Y187 I212 L214 R238 V239L91-L157 HydrophobicContact CD1-CD1 4.25Å; L91-F176 HydrophobicContact CD2-CD1 4.42Å; L91-F176 HydrophobicContact CD2-CE1 3.79Å; L91-C186 WeakPolarHBondContact O-CA 3.34Å; L91-C186 WeakPolarHBondContact O-CB 2.93Å; L91-Y187 HydrophobicContact CD1-CD2 4.12Å; L91-Y187 PolarHBondContact N-O 2.82Å; L91-Y187 PolarHBondContact O-N 3.43Å; L91-I212 HydrophobicContact CD2-CD1 3.79Å; L91-L214 HydrophobicContact CD2-CD1 4.27Å; L91-R238 WeakPolarHBondContact CA-O 3.37Å; L91-V239 HydrophobicContact CB-CG2 4.28Å
92C97.3Very high94.3Very high0 Ų034.8 Ų34.80%016%0.156CC..EExtended strand (participates in β ladder)trans-136.8136.6176.5-57.80000109.8M183 C186 I237 R238 I250C92-M183 HydrophobicContact CB-CB 4.17Å; C92-M183 HydrophobicContact CB-CE 4.04Å; C92-M183 HydrophobicContact CB-SD 3.95Å; C92-C186 HydrophobicContact CB-CB 4.07Å; C92-C186 WeakPolarHBondContact CB-SG 3.44Å; C92-C186 WeakPolarHBondContact SG-CB 3.35Å; C92-C186 CovalentContact SG-SG 2Å; C92-C186 PolarHBondContact SG-SG 3.46Å; C92-I237 CarbonylContact O-C 3.57Å; C92-I237 WeakPolarHBondContact O-CA 3.04Å; C92-I237 WeakPolarHBondContact O-CB 3.41Å; C92-R238 PolarHBondContact N-O 3.48Å; C92-R238 PolarHBondContact O-N 2.9Å; C92-I250 HydrophobicContact CB-CD1 4.05Å; C92-I250 VanDerWaalsContact SG-CD1 3.51Å; C92-I250 VanDerWaalsContact SG-CG2 3.53Å
93N97Very high94.6Very high7 Ų729.5 Ų29.54%0.03714%0.136CC..EExtended strand (participates in β ladder)trans-65.5137.8164.2-163-44.8000108.8N95 H155 M160 V216 Y221N93-N95 PolarHBondContact O-N 2.83Å; N93-N95 PolarHBondContact OD1-N 3.27Å; N93-H155 HydrophobicContact CB-CB 4.36Å; N93-H155 PolarHBondContact ND2-CE1 3.39Å; N93-M160 HydrophobicContact CB-CE 4.03Å; N93-M160 HydrophobicContact CB-SD 4.25Å; N93-V216 PolarHBondContact ND2-O 3.02Å; N93-Y221 PolarHBondContact OD1-OH 2.85Å
94I95.1Very high94.7Very high15 Ų1523.4 Ų23.48%0.07712%0.117CC..SBendtrans-62.8-31.6175.9-71174.9000110.9P96 M183 P232 E234 G236 R238I94-P96 VanDerWaalsContact O-CD 3.31Å; I94-P96 WeakPolarHBondContact O-CD 3.38Å; I94-M183 HydrophobicContact CG1-CE 4.21Å; I94-P232 HydrophobicContact CG2-CB 3.46Å; I94-P232 VanDerWaalsContact CG2-CB 3.46Å; I94-P232 HydrophobicContact CG2-CG 4.18Å; I94-E234 HydrophobicContact CD1-CB 3.79Å; I94-E234 HydrophobicContact CG2-CB 4.08Å; I94-E234 WeakPolarHBondContact CG2-O 3.49Å; I94-G236 WeakPolarHBondContact CB-O 3.44Å; I94-G236 WeakPolarHBondContact CG1-O 3.49Å; I94-G236 PolarHBondContact N-O 3.43Å; I94-R238 HydrophobicContact CG1-CG 4.15Å
95N94.1Very high94.6Very high5 Ų524.5 Ų24.53%0.02712%0.123CC..SBendtrans-78.9115.3172.1-179.148000110.6N93 L97 H155 E220 Y221 L222N93-N95 PolarHBondContact O-N 2.83Å; N93-N95 PolarHBondContact OD1-N 3.27Å; N95-L97 PolarHBondContact ND2-O 3.24Å; N95-L97 PolarHBondContact O-N 3.18Å; N95-L97 PolarHBondContact OD1-O 2.96Å; N95-H155 PolarHBondContact ND2-NE2 2.87Å; N95-H155 PolarHBondContact O-CD2 2.8Å; N95-H155 VanDerWaalsContact O-CD2 3.26Å; N95-E220 PolarHBondContact ND2-O 3.39Å; N95-E220 VanDerWaalsContact ND2-O 3.16Å; N95-Y221 HydrophobicContact CB-CD1 3.54Å; N95-Y221 HydrophobicContact CB-CD2 3.89Å; N95-Y221 HydrophobicContact CB-CE1 3.52Å; N95-Y221 HydrophobicContact CB-CE2 3.85Å; N95-Y221 HydrophobicContact CB-CG 3.74Å; N95-L222 PolarHBondContact OD1-N 2.78Å
96P91.8Very high94.6Very high37 Ų3721.2 Ų21.224%0.2411%0.107CC..SBendtrans-73.2-28.7-17427.9-35000113.1I94 M183I94-P96 VanDerWaalsContact O-CD 3.31Å; I94-P96 WeakPolarHBondContact O-CD 3.38Å; P96-M183 WeakPolarHBondContact CB-O 3.44Å
97L93.3Very high94.3Very high6 Ų621.2 Ų21.23%0.03111%0.107CC..SBendtrans-139.1131.9-172.8-58.3173.2000111.2N95 R99 L102 L114 L149 Y150 A153 L222N95-L97 PolarHBondContact ND2-O 3.24Å; N95-L97 PolarHBondContact O-N 3.18Å; N95-L97 PolarHBondContact OD1-O 2.96Å; L97-R99 PolarHBondContact O-N 2.88Å; L97-L102 HydrophobicContact CD1-CD2 4.29Å; L97-L114 HydrophobicContact CD1-CD1 4.34Å; L97-L149 HydrophobicContact CD1-CD2 4.37Å; L97-L149 HydrophobicContact CD2-CG 4.41Å; L97-Y150 HydrophobicContact CD2-CD1 3.85Å; L97-Y150 HydrophobicContact CD2-CE1 4.13Å; L97-A153 HydrophobicContact CD2-CB 3.89Å; L97-L222 HydrophobicContact CB-CD1 4.15Å; L97-L222 WeakPolarHBondContact O-CG 3.15Å
98R93.9Very high94.1Very high18 Ų1825.4 Ų25.47%0.06813%0.126CC..  trans-71.5126.1174.6-70.8-170.9-72.5-177-7.2111.6S100 R101 A153 G154 D159 E220R98-S100 VanDerWaalsContact C-N 3.27Å; R98-S100 PolarHBondContact O-N 2.98Å; R98-R101 HydrophobicContact CB-CB 4.26Å; R98-R101 HydrophobicContact CB-CG 4.01Å; R98-R101 PolarHBondContact O-N 2.96Å; R98-A153 WeakPolarHBondContact CB-O 3.42Å; R98-A153 PolarHBondContact N-O 2.92Å; R98-G154 PolarHBondContact NE-O 3.24Å; R98-G154 PolarHBondContact NH2-O 3.29Å; R98-G154 VanDerWaalsContact NH2-O 3.11Å; R98-D159 IonicContact CZ-OD2 2.84Å; R98-D159 IonicContact NH1-OD2 3.83Å; R98-D159 PolarHBondContact NH1-OD2 3.39Å; R98-E220 HydrophobicContact CB-CB 4.27Å; R98-E220 WeakPolarHBondContact CB-OE2 3.33Å; R98-E220 HydrophobicContact CG-CB 4.07Å; R98-E220 HydrophobicContact CG-CG 4.41Å
99R92.2Very high93.8Very high68 Ų6828.9 Ų28.926%0.25714%0.139SC..G310 helixtrans-49.7-43.8174160.9168.1175.8149.6-2.8113L97 R101 A128 L129 E220 L222L97-R99 PolarHBondContact O-N 2.88Å; R99-R101 PolarHBondContact O-N 3.43Å; R99-A128 PolarHBondContact NH1-O 3.11Å; R99-A128 PolarHBondContact NH2-O 3.2Å; R99-L129 HydrophobicContact CB-CD2 4.31Å; R99-L129 HydrophobicContact CG-CB 4.14Å; R99-L129 HydrophobicContact CG-CD2 3.74Å; R99-L129 HydrophobicContact CG-CG 4.39Å; R99-L129 PolarHBondContact NE-O 2.92Å; R99-L129 PolarHBondContact NH2-O 2.64Å; R99-E220 VanDerWaalsContact CB-O 3.25Å; R99-E220 WeakPolarHBondContact CB-O 3.21Å; R99-E220 PolarHBondContact N-O 2.87Å; R99-E220 PolarHBondContact N-OE2 3.49Å; R99-L222 HydrophobicContact CB-CD2 4.1Å
100S92.5Very high93.5Very high35 Ų3529 Ų2925%0.24514%0.141CC..G310 helixtrans-69.3-18.2-17965.20000113.5R98 R131 E220R98-S100 VanDerWaalsContact C-N 3.27Å; R98-S100 PolarHBondContact O-N 2.98Å; S100-R131 PolarHBondContact O-NH2 3.21Å; S100-E220 VanDerWaalsContact CB-OE1 3.28Å; S100-E220 WeakPolarHBondContact CB-OE1 3.44Å; S100-E220 WeakPolarHBondContact CB-OE2 3.45Å; S100-E220 PolarHBondContact N-OE2 2.9Å; S100-E220 PolarHBondContact OG-OE1 3.31Å; S100-E220 PolarHBondContact OG-OE2 3.48Å
101R93.2Very high93.1Very high117 Ų11729 Ų2944%0.44214%0.141SC..G310 helixtrans-98.4-5.2-175.2-63.2-63.6-174.4152.41.8114.1R98 R99 A153R98-R101 HydrophobicContact CB-CB 4.26Å; R98-R101 HydrophobicContact CB-CG 4.01Å; R98-R101 PolarHBondContact O-N 2.96Å; R99-R101 PolarHBondContact O-N 3.43Å; R101-A153 HydrophobicContact CB-CB 3.82Å
102L91.8Very high92.6Very high9 Ų930.4 Ų30.45%0.04715%0.15CC..  trans-78.1132.9175.1-69.8-178.5000111.8L97 D106 F125 L129 L149 L222L97-L102 HydrophobicContact CD1-CD2 4.29Å; L102-D106 HydrophobicContact CD2-CB 4.39Å; L102-F125 HydrophobicContact CD1-CE1 4.39Å; L102-L129 HydrophobicContact CB-CD1 4.27Å; L102-L129 HydrophobicContact CD1-CD1 4.2Å; L102-L149 HydrophobicContact CD2-CD1 4.28Å; L102-L222 HydrophobicContact CD1-CD1 4.19Å; L102-L222 HydrophobicContact CD1-CD2 3.42Å; L102-L222 VanDerWaalsContact CD1-CD2 3.42Å; L102-L222 HydrophobicContact CD1-CG 4.48Å; L102-L222 HydrophobicContact CG-CD2 4.38Å
103T91.6Very high92.1Very high49 Ų4930.9 Ų30.930%0.30115%0.154SC..  trans-111.5161.6178.670.60000111.6N105 D106 L107T103-N105 PolarHBondContact O-N 2.67Å; T103-N105 PolarHBondContact OG1-N 2.76Å; T103-D106 WeakPolarHBondContact CB-OD2 3.38Å; T103-D106 PolarHBondContact N-OD2 3.16Å; T103-D106 PolarHBondContact O-N 2.96Å; T103-D106 PolarHBondContact OG1-N 2.89Å; T103-D106 PolarHBondContact OG1-OD1 3.22Å; T103-D106 PolarHBondContact OG1-OD2 3.33Å; T103-L107 PolarHBondContact O-N 2.91Å; T103-L107 VanDerWaalsContact O-N 3.14Å
104P92Very high91.5Very high39 Ų3931.6 Ų31.625%0.25316%0.158SC..Hα-helixtrans-56.5-31.6172.1-26.135.1000113.6H108 L126 A134 F138P104-H108 PolarHBondContact O-N 2.86Å; P104-L126 HydrophobicContact CB-CD1 4.26Å; P104-L126 HydrophobicContact CG-CD1 4.03Å; P104-A134 HydrophobicContact CB-CB 3.99Å; P104-A134 HydrophobicContact CG-CB 4.48Å; P104-F138 HydrophobicContact CB-CE1 4.41Å; P104-F138 HydrophobicContact CB-CE2 4.17Å; P104-F138 HydrophobicContact CB-CZ 4.06Å
105N92.3Very high91.1Very high30 Ų3032.4 Ų32.416%0.1616%0.162CC..Hα-helixtrans-66.7-40.8175.3-173.472.2000111.9T103 H108 W109 F138 S141T103-N105 PolarHBondContact O-N 2.67Å; T103-N105 PolarHBondContact OG1-N 2.76Å; N105-H108 WeakPolarHBondContact O-CB 3.33Å; N105-H108 PolarHBondContact O-N 2.8Å; N105-W109 VanDerWaalsContact O-CD1 3.28Å; N105-W109 PolarHBondContact O-N 2.95Å; N105-F138 HydrophobicContact CB-CZ 4.07Å; N105-S141 WeakPolarHBondContact OD1-CB 3.43Å; N105-S141 PolarHBondContact OD1-N 3.3Å
106D93.2Very high90.7Very high6 Ų632.9 Ų32.93%0.03217%0.168CC..Hα-helixtrans-65.8-41.3178-50.9-42.4000111.2L102 T103 W109 A110 F144 L149 R152L102-D106 HydrophobicContact CD2-CB 4.39Å; T103-D106 WeakPolarHBondContact CB-OD2 3.38Å; T103-D106 PolarHBondContact N-OD2 3.16Å; T103-D106 PolarHBondContact O-N 2.96Å; T103-D106 PolarHBondContact OG1-N 2.89Å; T103-D106 PolarHBondContact OG1-OD1 3.22Å; T103-D106 PolarHBondContact OG1-OD2 3.33Å; D106-W109 PolarHBondContact O-N 3.43Å; D106-A110 WeakPolarHBondContact O-CA 3.33Å; D106-A110 WeakPolarHBondContact O-CB 3.29Å; D106-A110 PolarHBondContact O-N 2.89Å; D106-F144 HydrophobicContact CB-CE2 4.3Å; D106-F144 HydrophobicContact CB-CZ 4.47Å; D106-F144 WeakPolarHBondContact OD1-CE2 3.49Å; D106-L149 HydrophobicContact CB-CD1 3.92Å; D106-R152 IonicContact OD1-CZ 3.85Å; D106-R152 IonicContact OD1-NH2 3.94Å; D106-R152 PolarHBondContact OD1-NH2 2.62Å; D106-R152 IonicContact OD2-CZ 2.77Å; D106-R152 IonicContact OD2-NH2 3.98Å; D106-R152 PolarHBondContact OD2-NH2 2.87Å
107L91.6Very high90.5Very high2 Ų231.1 Ų31.11%0.0116%0.157CC..Hα-helixtrans-65.5-39.1175.9-66.4179.1000112T103 W109 G111 L115 L117 H122 F125 L126T103-L107 PolarHBondContact O-N 2.91Å; T103-L107 VanDerWaalsContact O-N 3.14Å; L107-W109 VanDerWaalsContact C-N 3.32Å; L107-W109 PolarHBondContact O-N 3.48Å; L107-G111 VanDerWaalsContact O-CA 3.27Å; L107-G111 WeakPolarHBondContact O-CA 3.42Å; L107-G111 PolarHBondContact O-N 3.46Å; L107-L115 HydrophobicContact CD2-CD1 3.93Å; L107-L117 HydrophobicContact CD2-CD1 4.31Å; L107-H122 PolarHBondContact O-CE1 2.93Å; L107-H122 PolarHBondContact O-NE2 2.84Å; L107-F125 HydrophobicContact CD1-CD1 3.88Å; L107-F125 HydrophobicContact CD2-CD1 3.87Å; L107-F125 HydrophobicContact CD2-CE1 3.87Å; L107-L126 HydrophobicContact CD1-CD1 4.1Å; L107-L126 HydrophobicContact CD1-CD2 3.49Å; L107-L126 VanDerWaalsContact CD1-CD2 3.49Å; L107-L126 HydrophobicContact CD1-CG 3.48Å; L107-L126 VanDerWaalsContact CD1-CG 3.48Å
108H91.3Very high90.3Very high89 Ų8934.1 Ų34.141%0.41217%0.173SC..Hα-helixtrans-56.3-46.2175.917978000112.2P104 N105 P140P104-H108 PolarHBondContact O-N 2.86Å; N105-H108 WeakPolarHBondContact O-CB 3.33Å; N105-H108 PolarHBondContact O-N 2.8Å; H108-P140 HydrophobicContact CB-CB 4.32Å; H108-P140 WeakPolarHBondContact CD2-CB 3.48Å; H108-P140 WeakPolarHBondContact NE2-CG 3.47Å
109W91.8Very high90.1Very high73 Ų7337.9 Ų37.928%0.27720%0.2SC..Hα-helixtrans-86-45.3-175.3-73.9109.6000113.6N105 D106 L107 S141 F144 P344N105-W109 VanDerWaalsContact O-CD1 3.28Å; N105-W109 PolarHBondContact O-N 2.95Å; D106-W109 PolarHBondContact O-N 3.43Å; L107-W109 VanDerWaalsContact C-N 3.32Å; L107-W109 PolarHBondContact O-N 3.48Å; W109-S141 WeakPolarHBondContact CZ2-O 3.48Å; W109-S141 PolarHBondContact NE1-O 3.06Å; W109-F144 HydrophobicContact CB-CB 4.03Å; W109-F144 HydrophobicContact CB-CD1 3.79Å; W109-F144 HydrophobicContact CB-CD2 3.62Å; W109-F144 HydrophobicContact CB-CE1 4.11Å; W109-F144 HydrophobicContact CB-CE2 3.98Å; W109-F144 HydrophobicContact CB-CG 3.51Å; W109-F144 HydrophobicContact CB-CZ 4.2Å; W109-F144 AromaticContact CD1-CD2 3.53Å; W109-F144 AromaticContact CD1-CG 3.85Å; W109-F144 HydrophobicContact CD2-CB 3.89Å; W109-F144 HydrophobicContact CD2-CG 4.36Å; W109-F144 HydrophobicContact CG-CB 3.64Å; W109-F144 HydrophobicContact CG-CD1 4.35Å; W109-F144 AromaticContact CG-CD2 3.71Å; W109-F144 HydrophobicContact CG-CD2 3.71Å; W109-F144 HydrophobicContact CG-CE2 4.47Å; W109-F144 AromaticContact CG-CG 3.62Å; W109-F144 HydrophobicContact CG-CG 3.62Å; W109-P344 HydrophobicContact CB-CG 4.26Å; W109-P344 WeakPolarHBondContact O-CB 3.2Å; W109-P344 WeakPolarHBondContact O-CG 3.27Å
110A91.6Very high90Very high4 Ų439.3 Ų39.33%0.03323%0.226CC..Hα-helixtrans-110.4-9.5-169.600000114.4D106 S112 A113 L114 F144 M146 L149 P344D106-A110 WeakPolarHBondContact O-CA 3.33Å; D106-A110 WeakPolarHBondContact O-CB 3.29Å; D106-A110 PolarHBondContact O-N 2.89Å; A110-S112 PolarHBondContact O-N 3.35Å; A110-A113 PolarHBondContact O-N 2.84Å; A110-A113 VanDerWaalsContact O-N 3.11Å; A110-L114 HydrophobicContact CB-CD1 3.93Å; A110-L114 HydrophobicContact CB-CG 4.21Å; A110-L114 PolarHBondContact O-N 2.93Å; A110-F144 HydrophobicContact CB-CE1 4.03Å; A110-F144 HydrophobicContact CB-CZ 4.05Å; A110-M146 HydrophobicContact CB-SD 4.44Å; A110-L149 HydrophobicContact CB-CD2 4.25Å; A110-P344 HydrophobicContact CB-CB 4.26Å; A110-P344 HydrophobicContact CB-CG 4.23Å
111G90.1Very high89.9Confident0 Ų039.9 Ų39.90%023%0.225CC..Hα-helixtrans-56.3-46.4-177.400000113.3L107 L115 G116 L117L107-G111 VanDerWaalsContact O-CA 3.27Å; L107-G111 WeakPolarHBondContact O-CA 3.42Å; L107-G111 PolarHBondContact O-N 3.46Å; G111-L115 CarbonylContact O-C 3.5Å; G111-L115 WeakPolarHBondContact O-CA 3.29Å; G111-L115 WeakPolarHBondContact O-CB 3.23Å; G111-L115 PolarHBondContact O-N 3.42Å; G111-G116 PolarHBondContact O-N 2.99Å; G111-G116 VanDerWaalsContact O-N 3.1Å; G111-L117 PolarHBondContact O-N 2.78Å
112S87.6Confident89.8Confident29 Ų2935.5 Ų35.520%0.20321%0.209CC..Hα-helixtrans-71.3-29.6177.7-1750000113.8A110 L117 K348A110-S112 PolarHBondContact O-N 3.35Å; S112-L117 WeakPolarHBondContact CA-O 3.29Å; S112-L117 WeakPolarHBondContact CB-O 3.22Å; S112-L117 PolarHBondContact N-O 3.01Å; S112-K348 PolarHBondContact O-NZ 3.38Å; S112-K348 PolarHBondContact OG-NZ 3.06Å
113A85.8Confident89.6Confident10 Ų1036.8 Ų36.88%0.08322%0.221CC..Hα-helixtrans-87.9-38.4-172.600000113.5A110 P344 K348A110-A113 PolarHBondContact O-N 2.84Å; A110-A113 VanDerWaalsContact O-N 3.11Å; A113-P344 HydrophobicContact CB-CB 3.8Å; A113-P344 WeakPolarHBondContact CB-O 3.32Å; A113-K348 HydrophobicContact CB-CB 4.15Å
114L85.4Confident89.6Confident22 Ų2236 Ų3612%0.11522%0.219CC..Hα-helixtrans-101.8-31.7-178-64.9-177.3000113.2L97 A110 M146 L149L97-L114 HydrophobicContact CD1-CD1 4.34Å; A110-L114 HydrophobicContact CB-CD1 3.93Å; A110-L114 HydrophobicContact CB-CG 4.21Å; A110-L114 PolarHBondContact O-N 2.93Å; L114-M146 HydrophobicContact CD1-CE 3.82Å; L114-M146 HydrophobicContact CD2-CE 3.91Å; L114-M146 HydrophobicContact CG-CE 4.12Å; L114-L149 HydrophobicContact CD1-CD2 3.74Å
115L85.8Confident89.5Confident32 Ų3234.2 Ų34.217%0.16821%0.207CC..SBendtrans-113.9-3.9-173.3-54.2176.5000112.7L107 G111 L117 F125 L222 N228L107-L115 HydrophobicContact CD2-CD1 3.93Å; G111-L115 CarbonylContact O-C 3.5Å; G111-L115 WeakPolarHBondContact O-CA 3.29Å; G111-L115 WeakPolarHBondContact O-CB 3.23Å; G111-L115 PolarHBondContact O-N 3.42Å; L115-L117 HydrophobicContact CB-CD1 3.74Å; L115-L117 HydrophobicContact CB-CG 3.75Å; L115-L117 HydrophobicContact CD1-CD1 3.79Å; L115-L117 HydrophobicContact CG-CD1 4.43Å; L115-L117 PolarHBondContact O-N 2.68Å; L115-F125 HydrophobicContact CD1-CE1 3.89Å; L115-F125 HydrophobicContact CD1-CZ 3.86Å; L115-L222 HydrophobicContact CD1-CD1 4.46Å; L115-L222 HydrophobicContact CD2-CD1 3.63Å; L115-N228 PolarHBondContact O-ND2 3.5Å
116G85.6Confident89.4Confident15 Ų1533 Ų3316%0.15520%0.201CC..  trans61.622.4-175.400000113.9G111 R226G111-G116 PolarHBondContact O-N 2.99Å; G111-G116 VanDerWaalsContact O-N 3.1Å; G116-R226 WeakPolarHBondContact O-CD 3.37Å; G116-R226 PolarHBondContact O-NE 2.79Å; G116-R226 PolarHBondContact O-NH1 2.77Å
117L87.6Confident89.3Confident0 Ų040.3 Ų40.30%023%0.228CC..  trans-85.9132.4-177.5-66172.2000111.4L107 G111 S112 L115 F125 W225L107-L117 HydrophobicContact CD2-CD1 4.31Å; G111-L117 PolarHBondContact O-N 2.78Å; S112-L117 WeakPolarHBondContact CA-O 3.29Å; S112-L117 WeakPolarHBondContact CB-O 3.22Å; S112-L117 PolarHBondContact N-O 3.01Å; L115-L117 HydrophobicContact CB-CD1 3.74Å; L115-L117 HydrophobicContact CB-CG 3.75Å; L115-L117 HydrophobicContact CD1-CD1 3.79Å; L115-L117 HydrophobicContact CG-CD1 4.43Å; L115-L117 PolarHBondContact O-N 2.68Å; L117-F125 HydrophobicContact CD1-CB 4.09Å; L117-F125 HydrophobicContact CD1-CD1 3.64Å; L117-F125 HydrophobicContact CD1-CD2 3.58Å; L117-F125 HydrophobicContact CD1-CE1 3.85Å; L117-F125 HydrophobicContact CD1-CE2 3.82Å; L117-F125 HydrophobicContact CD1-CG 3.49Å; L117-F125 VanDerWaalsContact CD1-CG 3.49Å; L117-F125 HydrophobicContact CD1-CZ 3.95Å; L117-F125 HydrophobicContact CD2-CD2 3.99Å; L117-F125 HydrophobicContact CD2-CE2 4.48Å; L117-F125 HydrophobicContact CD2-CG 4.42Å; L117-F125 HydrophobicContact CG-CD2 4.44Å; L117-W225 HydrophobicContact CD2-CB 3.83Å; L117-W225 HydrophobicContact CD2-CD2 4.26Å; L117-W225 HydrophobicContact CD2-CG 3.51Å
118D89.4Confident89.1Confident70 Ų7042 Ų4237%0.37424%0.243SC..  trans-80.8150.9172.4-68.4-43.1000111A120 E121 H122 R226D118-A120 PolarHBondContact O-N 3.38Å; D118-E121 HydrophobicContact CB-CG 4.45Å; D118-E121 PolarHBondContact N-OE2 2.82Å; D118-E121 WeakPolarHBondContact O-CB 3.28Å; D118-E121 PolarHBondContact O-N 3.24Å; D118-H122 PolarHBondContact O-CD2 2.77Å; D118-R226 IonicContact OD2-CZ 2.86Å; D118-R226 IonicContact OD2-NH1 3.88Å; D118-R226 PolarHBondContact OD2-NH1 3.48Å; D118-R226 IonicContact OD2-NH2 3.72Å; D118-R226 PolarHBondContact OD2-NH2 2.99Å
119P89.4Confident88.9Confident97 Ų9738.2 Ų38.263%0.6323%0.225SC*.THydrogen-bonded Turntrans-54.6-31.6-178.7-28.935.9000114.8E121 H122P119-E121 PolarHBondContact O-N 3.29Å; P119-H122 PolarHBondContact O-N 2.79Å
120A89.9Confident88.6Confident97 Ų9737.8 Ų37.880%0.80224%0.243SC*.THydrogen-bonded Turntrans-65.9-25.9176.700000113D118D118-A120 PolarHBondContact O-N 3.38Å
121E90.8Very high88.3Confident47 Ų4742.9 Ų42.922%0.2226%0.262CS..THydrogen-bonded Turntrans-90-15-176.7-59.5178.8109.700112.7D118 P119 A123 A124 F125 W225 R226D118-E121 HydrophobicContact CB-CG 4.45Å; D118-E121 PolarHBondContact N-OE2 2.82Å; D118-E121 WeakPolarHBondContact O-CB 3.28Å; D118-E121 PolarHBondContact O-N 3.24Å; P119-E121 PolarHBondContact O-N 3.29Å; E121-A123 PolarHBondContact O-N 2.74Å; E121-A123 VanDerWaalsContact O-N 3.13Å; E121-A124 PolarHBondContact O-N 3.04Å; E121-F125 PolarHBondContact O-N 2.97Å; E121-W225 PolarHBondContact OE1-NE1 3.38Å; E121-R226 IonicContact OE1-NH2 3.78Å; E121-R226 IonicContact OE2-CZ 3.67Å; E121-R226 IonicContact OE2-NE 3.55Å; E121-R226 IonicContact OE2-NH2 3.97Å; E121-R226 PolarHBondContact OE2-NH2 3.07Å
122H90.6Very high88.1Confident26 Ų2647.5 Ų47.512%0.1229%0.292CS..Hα-helixtrans-53.4-40.1-176.2-68.9-178.6000112.9L107 D118 P119 F125 L126L107-H122 PolarHBondContact O-CE1 2.93Å; L107-H122 PolarHBondContact O-NE2 2.84Å; D118-H122 PolarHBondContact O-CD2 2.77Å; P119-H122 PolarHBondContact O-N 2.79Å; H122-F125 PolarHBondContact O-N 2.82Å; H122-L126 WeakPolarHBondContact O-CB 3.49Å; H122-L126 WeakPolarHBondContact O-CG 3.5Å; H122-L126 PolarHBondContact O-N 2.89Å
123A89.4Confident88.1Confident36 Ų3649.1 Ų49.130%0.29830%0.301SS..Hα-helixtrans-69.3-34.1179.300000112.9E121 R127 P133E121-A123 PolarHBondContact O-N 2.74Å; E121-A123 VanDerWaalsContact O-N 3.13Å; A123-R127 WeakPolarHBondContact O-CG 3.44Å; A123-R127 PolarHBondContact O-N 3.38Å; A123-R127 PolarHBondContact O-NE 3.14Å; A123-P133 HydrophobicContact CB-CB 4.11Å
124A91Very high88.1Confident31 Ų3150.6 Ų50.626%0.25631%0.314SS..Hα-helixtrans-74.2-41.1175.800000110.6E121 R127 A128 W225E121-A124 PolarHBondContact O-N 3.04Å; A124-R127 WeakPolarHBondContact O-CB 3.18Å; A124-R127 PolarHBondContact O-N 2.91Å; A124-A128 PolarHBondContact O-N 3.46Å; A124-W225 HydrophobicContact CB-CH2 3.87Å; A124-W225 HydrophobicContact CB-CZ2 3.88Å
125F90.5Very high88.2Confident2 Ų253.4 Ų53.41%0.00933%0.333CS..Hα-helixtrans-61.5-48.8175.8-171.1-101.3000111.6L102 L107 L115 L117 E121 H122 R127 A128 L129 P223 W225L102-F125 HydrophobicContact CD1-CE1 4.39Å; L107-F125 HydrophobicContact CD1-CD1 3.88Å; L107-F125 HydrophobicContact CD2-CD1 3.87Å; L107-F125 HydrophobicContact CD2-CE1 3.87Å; L115-F125 HydrophobicContact CD1-CE1 3.89Å; L115-F125 HydrophobicContact CD1-CZ 3.86Å; L117-F125 HydrophobicContact CD1-CB 4.09Å; L117-F125 HydrophobicContact CD1-CD1 3.64Å; L117-F125 HydrophobicContact CD1-CD2 3.58Å; L117-F125 HydrophobicContact CD1-CE1 3.85Å; L117-F125 HydrophobicContact CD1-CE2 3.82Å; L117-F125 HydrophobicContact CD1-CG 3.49Å; L117-F125 VanDerWaalsContact CD1-CG 3.49Å; L117-F125 HydrophobicContact CD1-CZ 3.95Å; L117-F125 HydrophobicContact CD2-CD2 3.99Å; L117-F125 HydrophobicContact CD2-CE2 4.48Å; L117-F125 HydrophobicContact CD2-CG 4.42Å; L117-F125 HydrophobicContact CG-CD2 4.44Å; E121-F125 PolarHBondContact O-N 2.97Å; H122-F125 PolarHBondContact O-N 2.82Å; F125-R127 VanDerWaalsContact C-N 3.29Å; F125-R127 PolarHBondContact O-N 3.26Å; F125-A128 CarbonylContact O-C 3.53Å; F125-A128 WeakPolarHBondContact O-CA 3.34Å; F125-A128 WeakPolarHBondContact O-CB 3.25Å; F125-A128 PolarHBondContact O-N 3.16Å; F125-L129 HydrophobicContact CD1-CD1 3.94Å; F125-L129 HydrophobicContact CD1-CD2 4.49Å; F125-L129 HydrophobicContact CD1-CG 4.07Å; F125-L129 HydrophobicContact CE1-CD1 3.65Å; F125-L129 HydrophobicContact CE1-CD2 3.93Å; F125-L129 HydrophobicContact CE1-CG 3.91Å; F125-L129 HydrophobicContact CZ-CD2 4Å; F125-L129 HydrophobicContact CZ-CG 4.45Å; F125-L129 WeakPolarHBondContact O-CG 3.39Å; F125-L129 PolarHBondContact O-N 2.83Å; F125-P223 HydrophobicContact CD2-CG 4.37Å; F125-P223 HydrophobicContact CE2-CG 3.74Å; F125-P223 HydrophobicContact CZ-CG 4.14Å; F125-W225 HydrophobicContact CD2-CB 4.35Å; F125-W225 AromaticContact CD2-CD2 3.99Å; F125-W225 HydrophobicContact CD2-CD2 3.99Å; F125-W225 AromaticContact CD2-CE3 3.77Å; F125-W225 HydrophobicContact CD2-CE3 3.77Å; F125-W225 HydrophobicContact CD2-CG 4.26Å; F125-W225 HydrophobicContact CD2-CZ3 4.38Å; F125-W225 HydrophobicContact CE2-CB 4.36Å; F125-W225 HydrophobicContact CE2-CE3 4.46Å
126L89.9Confident88.2Confident4 Ų458.6 Ų58.62%0.02137%0.369CS..Hα-helixtrans-56.8-41.6175.1-76.3169.5000112.3P104 L107 H122 A128 L129 G130 R131P104-L126 HydrophobicContact CB-CD1 4.26Å; P104-L126 HydrophobicContact CG-CD1 4.03Å; L107-L126 HydrophobicContact CD1-CD1 4.1Å; L107-L126 HydrophobicContact CD1-CD2 3.49Å; L107-L126 VanDerWaalsContact CD1-CD2 3.49Å; L107-L126 HydrophobicContact CD1-CG 3.48Å; L107-L126 VanDerWaalsContact CD1-CG 3.48Å; H122-L126 WeakPolarHBondContact O-CB 3.49Å; H122-L126 WeakPolarHBondContact O-CG 3.5Å; H122-L126 PolarHBondContact O-N 2.89Å; L126-A128 VanDerWaalsContact C-N 3.35Å; L126-L129 HydrophobicContact CD2-CD1 4.44Å; L126-L129 CarbonylContact O-C 3.51Å; L126-L129 WeakPolarHBondContact O-CA 3.39Å; L126-L129 WeakPolarHBondContact O-CB 3.38Å; L126-L129 PolarHBondContact O-N 2.81Å; L126-L129 VanDerWaalsContact O-N 3.09Å; L126-G130 PolarHBondContact O-N 2.93Å; L126-R131 CarbonylContact C-O 3.55Å; L126-R131 VanDerWaalsContact C-O 3.26Å; L126-R131 HydrophobicContact CB-CB 4.38Å; L126-R131 HydrophobicContact CD2-CB 4.08Å; L126-R131 WeakPolarHBondContact O-CA 3.4Å; L126-R131 WeakPolarHBondContact O-CB 3.08Å; L126-R131 PolarHBondContact O-N 3.09Å
127R90.1Very high88.1Confident160 Ų16061.4 Ų61.460%0.60440%0.398SS*.Hα-helixtrans-62.5-42.7174.3-81.2-179-90.7142.3-12.9111.8A123 A124 F125 L129 G130A123-R127 WeakPolarHBondContact O-CG 3.44Å; A123-R127 PolarHBondContact O-N 3.38Å; A123-R127 PolarHBondContact O-NE 3.14Å; A124-R127 WeakPolarHBondContact O-CB 3.18Å; A124-R127 PolarHBondContact O-N 2.91Å; F125-R127 VanDerWaalsContact C-N 3.29Å; F125-R127 PolarHBondContact O-N 3.26Å; R127-L129 PolarHBondContact O-N 3.49Å; R127-G130 WeakPolarHBondContact O-CA 3.39Å; R127-G130 PolarHBondContact O-N 2.8Å
128A87.9Confident88.1Confident39 Ų3964.7 Ų64.732%0.32241%0.412SS..Hα-helixtrans-63.8-29.2174.200000112.1R99 A124 F125 L126 G130 W225R99-A128 PolarHBondContact NH1-O 3.11Å; R99-A128 PolarHBondContact NH2-O 3.2Å; A124-A128 PolarHBondContact O-N 3.46Å; F125-A128 CarbonylContact O-C 3.53Å; F125-A128 WeakPolarHBondContact O-CA 3.34Å; F125-A128 WeakPolarHBondContact O-CB 3.25Å; F125-A128 PolarHBondContact O-N 3.16Å; L126-A128 VanDerWaalsContact C-N 3.35Å; A128-G130 PolarHBondContact O-N 3.26Å; A128-W225 HydrophobicContact CB-CH2 4.42Å; A128-W225 HydrophobicContact CB-CZ3 3.68Å
129L86.6Confident88Confident9 Ų969.3 Ų69.35%0.04743%0.433CS..THydrogen-bonded Turntrans-73.2-5.4168.9-58.6-175.1000114.2R99 L102 F125 L126 R127 R131 L222 P223R99-L129 HydrophobicContact CB-CD2 4.31Å; R99-L129 HydrophobicContact CG-CB 4.14Å; R99-L129 HydrophobicContact CG-CD2 3.74Å; R99-L129 HydrophobicContact CG-CG 4.39Å; R99-L129 PolarHBondContact NE-O 2.92Å; R99-L129 PolarHBondContact NH2-O 2.64Å; L102-L129 HydrophobicContact CB-CD1 4.27Å; L102-L129 HydrophobicContact CD1-CD1 4.2Å; F125-L129 HydrophobicContact CD1-CD1 3.94Å; F125-L129 HydrophobicContact CD1-CD2 4.49Å; F125-L129 HydrophobicContact CD1-CG 4.07Å; F125-L129 HydrophobicContact CE1-CD1 3.65Å; F125-L129 HydrophobicContact CE1-CD2 3.93Å; F125-L129 HydrophobicContact CE1-CG 3.91Å; F125-L129 HydrophobicContact CZ-CD2 4Å; F125-L129 HydrophobicContact CZ-CG 4.45Å; F125-L129 WeakPolarHBondContact O-CG 3.39Å; F125-L129 PolarHBondContact O-N 2.83Å; L126-L129 HydrophobicContact CD2-CD1 4.44Å; L126-L129 CarbonylContact O-C 3.51Å; L126-L129 WeakPolarHBondContact O-CA 3.39Å; L126-L129 WeakPolarHBondContact O-CB 3.38Å; L126-L129 PolarHBondContact O-N 2.81Å; L126-L129 VanDerWaalsContact O-N 3.09Å; R127-L129 PolarHBondContact O-N 3.49Å; L129-R131 HydrophobicContact CB-CG 4.22Å; L129-L222 HydrophobicContact CD2-CD2 4.45Å; L129-P223 HydrophobicContact CD2-CG 3.65Å
130G85.6Confident88Confident63 Ų6366.9 Ų66.965%0.64942%0.418SS*.THydrogen-bonded Turntrans72.319.8-173.500000112.9L126 R127 A128L126-G130 PolarHBondContact O-N 2.93Å; R127-G130 WeakPolarHBondContact O-CA 3.39Å; R127-G130 PolarHBondContact O-N 2.8Å; A128-G130 PolarHBondContact O-N 3.26Å
131R85.6Confident87.9Confident111 Ų11164.5 Ų64.542%0.41940%0.395SS..  trans-105.7145.9178.9-68.3-69.4-171.5-176.6-3110.3S100 L126 L129S100-R131 PolarHBondContact O-NH2 3.21Å; L126-R131 CarbonylContact C-O 3.55Å; L126-R131 VanDerWaalsContact C-O 3.26Å; L126-R131 HydrophobicContact CB-CB 4.38Å; L126-R131 HydrophobicContact CD2-CB 4.08Å; L126-R131 WeakPolarHBondContact O-CA 3.4Å; L126-R131 WeakPolarHBondContact O-CB 3.08Å; L126-R131 PolarHBondContact O-N 3.09Å; L129-R131 HydrophobicContact CB-CG 4.22Å
132P86Confident87.8Confident98 Ų9867.9 Ų67.964%0.63642%0.421SS*.PPolyproline II helixtrans-63.2148170.128.2-33.5000109.8
133P87.1Confident87.7Confident62 Ų6271.7 Ų71.740%0.40345%0.447SS..PPolyproline II helixtrans-62.1167.2171.229.5-35000110.5A123A123-P133 HydrophobicContact CB-CB 4.11Å
134A86.9Confident87.8Confident41 Ų4171.9 Ų71.934%0.33944%0.441SS..PPolyproline II helixtrans-53.3137173.900000110.6P104 F138P104-A134 HydrophobicContact CB-CB 3.99Å; P104-A134 HydrophobicContact CG-CB 4.48Å; A134-F138 HydrophobicContact CB-CB 3.83Å; A134-F138 HydrophobicContact CB-CD1 4.02Å; A134-F138 HydrophobicContact CB-CD2 4.45Å; A134-F138 HydrophobicContact CB-CG 3.84Å
135P87Confident87.9Confident82 Ų8274 Ų7453%0.53245%0.448SS..PPolyproline II helixtrans-62.1153.4179.125.7-33.6000111.1G137 F138P135-G137 PolarHBondContact O-N 2.92Å; P135-F138 HydrophobicContact CG-CB 4.26Å; P135-F138 VanDerWaalsContact O-CB 3.25Å; P135-F138 WeakPolarHBondContact O-CB 3.45Å; P135-F138 PolarHBondContact O-N 3.27Å
136P84.6Confident88Confident141 Ų14174 Ų7492%0.91645%0.448SS*.THydrogen-bonded Turntrans-54.8129.6172.5-22.432.6000110.6
137G84Confident88.1Confident73 Ų7375.2 Ų75.275%0.75346%0.458SS*.THydrogen-bonded Turntrans79.714.3-175.800000115P135 M139P135-G137 PolarHBondContact O-N 2.92Å; G137-M139 PolarHBondContact O-N 3.32Å
138F88Confident88.3Confident70 Ų7073.1 Ų73.131%0.30746%0.455SS..  trans-52.8123.2172173-102.7000111.5P104 N105 A134 P135 P140P104-F138 HydrophobicContact CB-CE1 4.41Å; P104-F138 HydrophobicContact CB-CE2 4.17Å; P104-F138 HydrophobicContact CB-CZ 4.06Å; N105-F138 HydrophobicContact CB-CZ 4.07Å; A134-F138 HydrophobicContact CB-CB 3.83Å; A134-F138 HydrophobicContact CB-CD1 4.02Å; A134-F138 HydrophobicContact CB-CD2 4.45Å; A134-F138 HydrophobicContact CB-CG 3.84Å; P135-F138 HydrophobicContact CG-CB 4.26Å; P135-F138 VanDerWaalsContact O-CB 3.25Å; P135-F138 WeakPolarHBondContact O-CB 3.45Å; P135-F138 PolarHBondContact O-N 3.27Å; F138-P140 HydrophobicContact CE1-CB 4.16Å; F138-P140 HydrophobicContact CZ-CB 4.39Å
139M87.1Confident88.6Confident166 Ų16671.4 Ų71.482%0.81844%0.441SS*.  trans-110.2123.2171.5-66.1-174178.500108.7G137G137-M139 PolarHBondContact O-N 3.32Å
140P88.4Confident89Confident47 Ų4772.3 Ų72.331%0.30544%0.444SS..  trans-65.6151.6176.129.5-35000110.6H108 F138H108-P140 HydrophobicContact CB-CB 4.32Å; H108-P140 WeakPolarHBondContact CD2-CB 3.48Å; H108-P140 WeakPolarHBondContact NE2-CG 3.47Å; F138-P140 HydrophobicContact CE1-CB 4.16Å; F138-P140 HydrophobicContact CZ-CB 4.39Å
141S89.8Confident89.5Confident46 Ų4671.4 Ų71.432%0.32243%0.43SS..  trans-55.6141.1170.8171.80000109.8N105 W109 T143N105-S141 WeakPolarHBondContact OD1-CB 3.43Å; N105-S141 PolarHBondContact OD1-N 3.3Å; W109-S141 WeakPolarHBondContact CZ2-O 3.48Å; W109-S141 PolarHBondContact NE1-O 3.06Å; S141-T143 WeakPolarHBondContact CB-O 3.12Å; S141-T143 PolarHBondContact O-N 2.91Å; S141-T143 PolarHBondContact OG-N 3.1Å; S141-T143 PolarHBondContact OG-O 2.87Å
142P88.1Confident90Very high119 Ų11970.4 Ų70.477%0.77343%0.426SS*.SBendtrans-67.7-17.1177.529.5-36.6000113
143T87.3Confident90.4Very high106 Ų10665.8 Ų65.865%0.6540%0.396SS*.  trans-126.9150.1-179.658.10000111S141S141-T143 WeakPolarHBondContact CB-O 3.12Å; S141-T143 PolarHBondContact O-N 2.91Å; S141-T143 PolarHBondContact OG-N 3.1Å; S141-T143 PolarHBondContact OG-O 2.87Å
144F92.1Very high90.8Very high40 Ų4062.8 Ų62.818%0.17538%0.377CS..  trans-145.6126.4179-170.3-98.1000110.3D106 W109 A110 M146 L149 P344D106-F144 HydrophobicContact CB-CE2 4.3Å; D106-F144 HydrophobicContact CB-CZ 4.47Å; D106-F144 WeakPolarHBondContact OD1-CE2 3.49Å; W109-F144 HydrophobicContact CB-CB 4.03Å; W109-F144 HydrophobicContact CB-CD1 3.79Å; W109-F144 HydrophobicContact CB-CD2 3.62Å; W109-F144 HydrophobicContact CB-CE1 4.11Å; W109-F144 HydrophobicContact CB-CE2 3.98Å; W109-F144 HydrophobicContact CB-CG 3.51Å; W109-F144 HydrophobicContact CB-CZ 4.2Å; W109-F144 AromaticContact CD1-CD2 3.53Å; W109-F144 AromaticContact CD1-CG 3.85Å; W109-F144 HydrophobicContact CD2-CB 3.89Å; W109-F144 HydrophobicContact CD2-CG 4.36Å; W109-F144 HydrophobicContact CG-CB 3.64Å; W109-F144 HydrophobicContact CG-CD1 4.35Å; W109-F144 AromaticContact CG-CD2 3.71Å; W109-F144 HydrophobicContact CG-CD2 3.71Å; W109-F144 HydrophobicContact CG-CE2 4.47Å; W109-F144 AromaticContact CG-CG 3.62Å; W109-F144 HydrophobicContact CG-CG 3.62Å; A110-F144 HydrophobicContact CB-CE1 4.03Å; A110-F144 HydrophobicContact CB-CZ 4.05Å; F144-M146 HydrophobicContact CD1-SD 4.31Å; F144-M146 HydrophobicContact CE1-CG 4.36Å; F144-M146 HydrophobicContact CE1-SD 3.65Å; F144-L149 HydrophobicContact CE1-CD2 4.48Å; F144-L149 HydrophobicContact CZ-CB 4.15Å; F144-L149 HydrophobicContact CZ-CD1 4.48Å; F144-L149 HydrophobicContact CZ-CD2 4.05Å; F144-L149 HydrophobicContact CZ-CG 4.45Å; F144-P344 HydrophobicContact CD1-CG 3.54Å; F144-P344 HydrophobicContact CE1-CG 3.71Å
145D92.8Very high91.3Very high76 Ų7661 Ų6141%0.40636%0.361SS..  trans-113.4117.9177.3-179.88.5000110.5A147 Q148 L149D145-A147 VanDerWaalsContact C-N 3.32Å; D145-A147 PolarHBondContact O-N 2.86Å; D145-A147 WeakPolarHBondContact OD1-CB 3.48Å; D145-A147 PolarHBondContact OD1-N 3.12Å; D145-Q148 HydrophobicContact CB-CB 3.99Å; D145-Q148 PolarHBondContact O-N 3.36Å; D145-L149 PolarHBondContact O-N 2.84Å; D145-L149 VanDerWaalsContact O-N 3.12Å
146M92.6Very high91.8Very high2 Ų258.2 Ų58.21%0.0134%0.343CS..Hα-helixtrans-63.4-36.3176.9-71.8-68-67.400112.2A110 L114 F144 Q148 L149 Y150 V333 V341 C342 P344 Y347A110-M146 HydrophobicContact CB-SD 4.44Å; L114-M146 HydrophobicContact CD1-CE 3.82Å; L114-M146 HydrophobicContact CD2-CE 3.91Å; L114-M146 HydrophobicContact CG-CE 4.12Å; F144-M146 HydrophobicContact CD1-SD 4.31Å; F144-M146 HydrophobicContact CE1-CG 4.36Å; F144-M146 HydrophobicContact CE1-SD 3.65Å; M146-Q148 VanDerWaalsContact C-N 3.35Å; M146-L149 WeakPolarHBondContact O-CB 3.28Å; M146-L149 PolarHBondContact O-N 2.88Å; M146-Y150 HydrophobicContact CE-CE2 3.95Å; M146-Y150 WeakPolarHBondContact O-CD2 3.43Å; M146-Y150 PolarHBondContact O-N 2.92Å; M146-Y150 VanDerWaalsContact O-N 3.13Å; M146-V333 HydrophobicContact CB-CG2 3.95Å; M146-V341 HydrophobicContact CB-CG1 3.91Å; M146-C342 WeakPolarHBondContact CG-O 3.46Å; M146-P344 HydrophobicContact CG-CG 4.26Å; M146-P344 HydrophobicContact SD-CB 4.11Å; M146-P344 HydrophobicContact SD-CG 3.61Å; M146-Y347 HydrophobicContact CE-CD1 4.36Å; M146-Y347 HydrophobicContact CE-CD2 4.24Å; M146-Y347 HydrophobicContact CE-CE1 4.22Å; M146-Y347 HydrophobicContact CE-CE2 4.08Å; M146-Y347 HydrophobicContact CE-CG 4.39Å; M146-Y347 HydrophobicContact CG-CE1 4.31Å
147A93Very high92.4Very high28 Ų2851.6 Ų51.623%0.23130%0.3CS..Hα-helixtrans-65.5-42.7179.200000110.6D145 L149 Y150 A151 V333 V341D145-A147 VanDerWaalsContact C-N 3.32Å; D145-A147 PolarHBondContact O-N 2.86Å; D145-A147 WeakPolarHBondContact OD1-CB 3.48Å; D145-A147 PolarHBondContact OD1-N 3.12Å; A147-L149 VanDerWaalsContact C-N 3.33Å; A147-L149 PolarHBondContact O-N 3.17Å; A147-Y150 PolarHBondContact O-N 3.43Å; A147-A151 VanDerWaalsContact O-CB 3.28Å; A147-A151 WeakPolarHBondContact O-CB 3.48Å; A147-A151 PolarHBondContact O-N 3.04Å; A147-V333 HydrophobicContact CB-CG1 4.42Å; A147-V333 HydrophobicContact CB-CG2 4.28Å; A147-V341 HydrophobicContact CB-CG2 4.45Å
148Q94.4Very high93Very high117 Ų11753.2 Ų53.255%0.54729%0.292SS..Hα-helixtrans-62.6-38.2174.7-165.9-17727.700112.3D145 M146 A151 R152D145-Q148 HydrophobicContact CB-CB 3.99Å; D145-Q148 PolarHBondContact O-N 3.36Å; M146-Q148 VanDerWaalsContact C-N 3.35Å; Q148-A151 PolarHBondContact O-N 3.03Å; Q148-R152 VanDerWaalsContact O-CB 3.24Å; Q148-R152 WeakPolarHBondContact O-CB 3.43Å; Q148-R152 PolarHBondContact O-N 2.83Å
149L94.5Very high93.4Very high3 Ų353.4 Ų53.42%0.01630%0.296CS..Hα-helixtrans-57.7-56.9174.4176.669.5000110.7L97 L102 D106 A110 L114 F144 D145 M146 A147 A151 R152 A153L97-L149 HydrophobicContact CD1-CD2 4.37Å; L97-L149 HydrophobicContact CD2-CG 4.41Å; L102-L149 HydrophobicContact CD2-CD1 4.28Å; D106-L149 HydrophobicContact CB-CD1 3.92Å; A110-L149 HydrophobicContact CB-CD2 4.25Å; L114-L149 HydrophobicContact CD1-CD2 3.74Å; F144-L149 HydrophobicContact CE1-CD2 4.48Å; F144-L149 HydrophobicContact CZ-CB 4.15Å; F144-L149 HydrophobicContact CZ-CD1 4.48Å; F144-L149 HydrophobicContact CZ-CD2 4.05Å; F144-L149 HydrophobicContact CZ-CG 4.45Å; D145-L149 PolarHBondContact O-N 2.84Å; D145-L149 VanDerWaalsContact O-N 3.12Å; M146-L149 WeakPolarHBondContact O-CB 3.28Å; M146-L149 PolarHBondContact O-N 2.88Å; A147-L149 VanDerWaalsContact C-N 3.33Å; A147-L149 PolarHBondContact O-N 3.17Å; L149-A151 VanDerWaalsContact C-N 3.33Å; L149-A151 PolarHBondContact O-N 3.37Å; L149-R152 PolarHBondContact O-N 3.02Å; L149-A153 HydrophobicContact CD1-CB 4.13Å; L149-A153 VanDerWaalsContact O-CB 3.26Å; L149-A153 WeakPolarHBondContact O-CB 3.46Å; L149-A153 PolarHBondContact O-N 2.98Å
150Y94.4Very high93.9Very high28 Ų2845.6 Ų45.611%0.1126%0.258CS..Hα-helixtrans-63.1-39-179-80.3-75.5000112.4L97 M146 A147 R152 G154 V333L97-Y150 HydrophobicContact CD2-CD1 3.85Å; L97-Y150 HydrophobicContact CD2-CE1 4.13Å; M146-Y150 HydrophobicContact CE-CE2 3.95Å; M146-Y150 WeakPolarHBondContact O-CD2 3.43Å; M146-Y150 PolarHBondContact O-N 2.92Å; M146-Y150 VanDerWaalsContact O-N 3.13Å; A147-Y150 PolarHBondContact O-N 3.43Å; Y150-R152 PolarHBondContact O-N 2.89Å; Y150-G154 WeakPolarHBondContact O-CA 3.29Å; Y150-G154 PolarHBondContact O-N 3.46Å; Y150-V333 HydrophobicContact CD2-CB 4.43Å; Y150-V333 HydrophobicContact CD2-CG1 4.47Å; Y150-V333 HydrophobicContact CD2-CG2 4.06Å; Y150-V333 HydrophobicContact CE2-CG2 4.48Å
151A95.4Very high94.4Very high43 Ų4344.4 Ų44.436%0.35525%0.249SC..Hα-helixtrans-62.6-41.7178.900000112.7A147 Q148 L149 F180 K185A147-A151 VanDerWaalsContact O-CB 3.28Å; A147-A151 WeakPolarHBondContact O-CB 3.48Å; A147-A151 PolarHBondContact O-N 3.04Å; Q148-A151 PolarHBondContact O-N 3.03Å; L149-A151 VanDerWaalsContact C-N 3.33Å; L149-A151 PolarHBondContact O-N 3.37Å; A151-F180 HydrophobicContact CB-CZ 4.01Å; A151-K185 PolarHBondContact O-NZ 3.32Å
152R95.8Very high94.7Very high91 Ų9145 Ų4534%0.34325%0.248SC..Hα-helixtrans-83.4-46.7-177.7-178-17371.4-149-2.8112.9D106 Q148 L149 Y150D106-R152 IonicContact OD1-CZ 3.85Å; D106-R152 IonicContact OD1-NH2 3.94Å; D106-R152 PolarHBondContact OD1-NH2 2.62Å; D106-R152 IonicContact OD2-CZ 2.77Å; D106-R152 IonicContact OD2-NH2 3.98Å; D106-R152 PolarHBondContact OD2-NH2 2.87Å; Q148-R152 VanDerWaalsContact O-CB 3.24Å; Q148-R152 WeakPolarHBondContact O-CB 3.43Å; Q148-R152 PolarHBondContact O-N 2.83Å; L149-R152 PolarHBondContact O-N 3.02Å; Y150-R152 PolarHBondContact O-N 2.89Å
153A95.4Very high95.1Very high0 Ų041.6 Ų41.60%022%0.223CC..Hα-helixtrans-90.3-16.1-171.500000113.3L97 R98 R101 L149L97-A153 HydrophobicContact CD2-CB 3.89Å; R98-A153 WeakPolarHBondContact CB-O 3.42Å; R98-A153 PolarHBondContact N-O 2.92Å; R101-A153 HydrophobicContact CB-CB 3.82Å; L149-A153 HydrophobicContact CD1-CB 4.13Å; L149-A153 VanDerWaalsContact O-CB 3.26Å; L149-A153 WeakPolarHBondContact O-CB 3.46Å; L149-A153 PolarHBondContact O-N 2.98Å
154G95.9Very high95.6Very high0 Ų036.7 Ų36.70%019%0.193CC..SBendtrans-59.8162169.400000113.1R98 Y150R98-G154 PolarHBondContact NE-O 3.24Å; R98-G154 PolarHBondContact NH2-O 3.29Å; R98-G154 VanDerWaalsContact NH2-O 3.11Å; Y150-G154 WeakPolarHBondContact O-CA 3.29Å; Y150-G154 PolarHBondContact O-N 3.46Å
155H97.4Very high95.9Very high4 Ų440.3 Ų40.32%0.01921%0.206CC..PPolyproline II helixtrans-66.3136.7174.7-73.4-98.6000110.9N93 N95 M160 Y187 Q217N93-H155 HydrophobicContact CB-CB 4.36Å; N93-H155 PolarHBondContact ND2-CE1 3.39Å; N95-H155 PolarHBondContact ND2-NE2 2.87Å; N95-H155 PolarHBondContact O-CD2 2.8Å; N95-H155 VanDerWaalsContact O-CD2 3.26Å; H155-M160 HydrophobicContact CB-CG 4.25Å; H155-M160 HydrophobicContact CB-SD 3.47Å; H155-M160 WeakPolarHBondContact CB-SD 3.35Å; H155-Y187 PolarHBondContact O-OH 2.95Å; H155-Q217 PolarHBondContact ND1-OE1 3.03Å
156S97.1Very high96.1Very high22 Ų2237.7 Ų37.715%0.15419%0.191CC..PPolyproline II helixtrans-86.1134.9175.2-146.90000109.5D158 D159 M160 Y187S156-D158 PolarHBondContact O-N 3.48Å; S156-D158 PolarHBondContact OG-OD2 3.12Å; S156-D159 WeakPolarHBondContact CB-OD2 3.48Å; S156-D159 PolarHBondContact O-N 3.04Å; S156-M160 WeakPolarHBondContact O-CG 3.42Å; S156-M160 PolarHBondContact O-N 3.13Å; S156-Y187 WeakPolarHBondContact CA-OH 3.37Å
157L97.4Very high96.2Very high2 Ų242.4 Ų42.41%0.0121%0.208CC..Hα-helixtrans-63.6-33.8175.6-172.562.7000111.5L91 D159 M160 L161 P173 F176 Y187 L214L91-L157 HydrophobicContact CD1-CD1 4.25Å; L157-D159 PolarHBondContact O-N 2.82Å; L157-M160 PolarHBondContact O-N 3.45Å; L157-M160 VanDerWaalsContact O-N 3.09Å; L157-L161 HydrophobicContact CD1-CB 4.15Å; L157-L161 HydrophobicContact CG-CB 4.21Å; L157-L161 HydrophobicContact CG-CD2 4.49Å; L157-L161 VanDerWaalsContact O-CB 3.24Å; L157-L161 WeakPolarHBondContact O-CB 3.46Å; L157-L161 PolarHBondContact O-N 3.27Å; L157-P173 HydrophobicContact CB-CB 4.41Å; L157-P173 HydrophobicContact CD2-CB 4.12Å; L157-P173 HydrophobicContact CG-CB 4.25Å; L157-F176 HydrophobicContact CD2-CB 3.44Å; L157-F176 VanDerWaalsContact CD2-CB 3.44Å; L157-F176 HydrophobicContact CD2-CD1 3.87Å; L157-F176 HydrophobicContact CD2-CD2 3.6Å; L157-F176 HydrophobicContact CD2-CE1 4.49Å; L157-F176 HydrophobicContact CD2-CE2 4.29Å; L157-F176 HydrophobicContact CD2-CG 3.37Å; L157-Y187 HydrophobicContact CB-CD1 3.79Å; L157-Y187 HydrophobicContact CB-CD2 3.95Å; L157-Y187 HydrophobicContact CB-CE1 3.65Å; L157-Y187 HydrophobicContact CB-CE2 3.82Å; L157-Y187 HydrophobicContact CB-CG 3.94Å; L157-Y187 HydrophobicContact CD1-CD2 4.14Å; L157-Y187 HydrophobicContact CD1-CG 4.28Å; L157-Y187 HydrophobicContact CD2-CD1 3.95Å; L157-Y187 HydrophobicContact CD2-CG 3.93Å; L157-Y187 HydrophobicContact CG-CD1 4.42Å; L157-Y187 HydrophobicContact CG-CD2 4.45Å; L157-Y187 HydrophobicContact CG-CG 4.29Å; L157-Y187 PolarHBondContact N-OH 2.82Å; L157-L214 HydrophobicContact CD1-CD2 4.29Å
158D96.6Very high96.2Very high108 Ų10843.4 Ų43.458%0.57822%0.221SC*.Hα-helixtrans-57.7-33.2175.8-46.3-86.8000113.1S156 P173S156-D158 PolarHBondContact O-N 3.48Å; S156-D158 PolarHBondContact OG-OD2 3.12Å; D158-P173 HydrophobicContact CB-CG 4.48Å
159D95.9Very high96.2Very high74 Ų7444.3 Ų44.340%0.39623%0.225SC..Hα-helixtrans-87.2-24.2-180-55.5-39000111.5R98 S156 L157 Q217R98-D159 IonicContact CZ-OD2 2.84Å; R98-D159 IonicContact NH1-OD2 3.83Å; R98-D159 PolarHBondContact NH1-OD2 3.39Å; S156-D159 WeakPolarHBondContact CB-OD2 3.48Å; S156-D159 PolarHBondContact O-N 3.04Å; L157-D159 PolarHBondContact O-N 2.82Å; D159-Q217 PolarHBondContact O-NE2 3.19Å
160M97.7Very high96.3Very high2 Ų249.4 Ų49.41%0.0126%0.259CS..Hα-helixtrans-89.2-37-178.9-68.9-18062.600112.5N93 H155 S156 L157 L162 L214 D215 I237N93-M160 HydrophobicContact CB-CE 4.03Å; N93-M160 HydrophobicContact CB-SD 4.25Å; H155-M160 HydrophobicContact CB-CG 4.25Å; H155-M160 HydrophobicContact CB-SD 3.47Å; H155-M160 WeakPolarHBondContact CB-SD 3.35Å; S156-M160 WeakPolarHBondContact O-CG 3.42Å; S156-M160 PolarHBondContact O-N 3.13Å; L157-M160 PolarHBondContact O-N 3.45Å; L157-M160 VanDerWaalsContact O-N 3.09Å; M160-L162 PolarHBondContact O-N 3.06Å; M160-L214 HydrophobicContact CB-CD2 4.15Å; M160-L214 CarbonylContact O-C 3.49Å; M160-L214 VanDerWaalsContact O-CA 3.25Å; M160-L214 WeakPolarHBondContact O-CA 3.38Å; M160-D215 WeakPolarHBondContact CG-O 3.46Å; M160-D215 PolarHBondContact O-N 3.03Å; M160-I237 HydrophobicContact CE-CG2 4.04Å
161L98Very high96.4Very high22 Ų2249.2 Ų49.212%0.11526%0.261CS..EExtended strand (participates in β ladder)trans-81.5106.4-171.7-168.867.1000111.3L157 C164 P173 F176 I212 L214L157-L161 HydrophobicContact CD1-CB 4.15Å; L157-L161 HydrophobicContact CG-CB 4.21Å; L157-L161 HydrophobicContact CG-CD2 4.49Å; L157-L161 VanDerWaalsContact O-CB 3.24Å; L157-L161 WeakPolarHBondContact O-CB 3.46Å; L157-L161 PolarHBondContact O-N 3.27Å; L161-C164 HydrophobicContact CD1-CB 4.01Å; L161-C164 HydrophobicContact CD2-CB 3.9Å; L161-C164 HydrophobicContact CG-CB 4.15Å; L161-P173 HydrophobicContact CD2-CG 4.08Å; L161-F176 HydrophobicContact CD2-CE2 4.27Å; L161-I212 HydrophobicContact CD1-CB 4.2Å; L161-I212 HydrophobicContact CD1-CG2 4.24Å; L161-L214 HydrophobicContact CB-CD2 4.28Å; L161-L214 HydrophobicContact CD1-CD2 3.76Å
162L96.9Very high96.4Very high58 Ų5847.5 Ų47.530%0.30425%0.248SC..EExtended strand (participates in β ladder)trans-89.9-39.6-178.4-57.7-177.5000113M160 M213 D215 L397 V408M160-L162 PolarHBondContact O-N 3.06Å; L162-M213 HydrophobicContact CB-CB 4.29Å; L162-M213 HydrophobicContact CB-CG 4.28Å; L162-M213 WeakPolarHBondContact CB-O 3.29Å; L162-M213 HydrophobicContact CD1-CG 4.3Å; L162-M213 PolarHBondContact N-O 3.21Å; L162-D215 HydrophobicContact CD1-CB 4.09Å; L162-D215 HydrophobicContact CD2-CB 4.11Å; L162-D215 HydrophobicContact CG-CB 4.12Å; L162-L397 HydrophobicContact CB-CD2 4.46Å; L162-L397 HydrophobicContact CD1-CD1 3.88Å; L162-L397 HydrophobicContact CD1-CD2 4.09Å; L162-L397 HydrophobicContact CD2-CD2 4.03Å; L162-L397 HydrophobicContact CG-CD2 4.44Å; L162-V408 HydrophobicContact CD1-CG1 4.2Å; L162-V408 HydrophobicContact CD1-CG2 3.88Å
163D96.8Very high96.4Very high47 Ų4745 Ų4525%0.25124%0.243SC..EExtended strand (participates in β ladder)trans-148.3147.1174.3-161.610.8000108.7R165 I212 M213D163-R165 IonicContact OD1-NE 3.9Å; D163-R165 IonicContact OD2-CZ 3.94Å; D163-R165 IonicContact OD2-NE 3.58Å; D163-R165 IonicContact OD2-NH2 3.51Å; D163-I212 WeakPolarHBondContact O-CA 3.47Å; D163-M213 HydrophobicContact CB-CB 4.01Å; D163-M213 PolarHBondContact N-O 3.33Å; D163-M213 PolarHBondContact O-N 3.21Å
164C97.7Very high96.4Very high4 Ų452.1 Ų52.13%0.02728%0.277CS..EExtended strand (participates in β ladder)trans-149.2127.5-179.7-175.30000109.5L161 P170 C171 D211 I212L161-C164 HydrophobicContact CD1-CB 4.01Å; L161-C164 HydrophobicContact CD2-CB 3.9Å; L161-C164 HydrophobicContact CG-CB 4.15Å; C164-P170 WeakPolarHBondContact O-CA 3.37Å; C164-C171 HydrophobicContact CB-CB 4.13Å; C164-C171 WeakPolarHBondContact CB-O 3.35Å; C164-C171 WeakPolarHBondContact CB-SG 3.09Å; C164-C171 PolarHBondContact O-N 3.42Å; C164-C171 PolarHBondContact O-SG 3.01Å; C164-C171 WeakPolarHBondContact SG-CB 3.36Å; C164-C171 CovalentContact SG-SG 2.04Å; C164-C171 PolarHBondContact SG-SG 3.22Å; C164-D211 CarbonylContact C-O 3.53Å; C164-D211 WeakPolarHBondContact CA-O 3.1Å; C164-I212 HydrophobicContact CB-CG2 4.26Å
165R97.4Very high96.3Very high116 Ų11655.6 Ų55.644%0.43830%0.295SS..EExtended strand (participates in β ladder)trans-137.3134.9174.6-58.6178.4-171.9-163.11.9110.9D163 Q169 C171 L210 D211D163-R165 IonicContact OD1-NE 3.9Å; D163-R165 IonicContact OD2-CZ 3.94Å; D163-R165 IonicContact OD2-NE 3.58Å; D163-R165 IonicContact OD2-NH2 3.51Å; R165-Q169 CarbonylContact C-O 3.59Å; R165-Q169 WeakPolarHBondContact CA-O 3.43Å; R165-C171 PolarHBondContact N-SG 3.31Å; R165-L210 WeakPolarHBondContact O-CA 3.17Å; R165-D211 HydrophobicContact CB-CB 4.36Å; R165-D211 PolarHBondContact N-O 2.9Å; R165-D211 PolarHBondContact O-N 3.06Å
166F96.9Very high96.3Very high20 Ų2056.1 Ų56.19%0.08830%0.297CS..EExtended strand (participates in β ladder)trans-118.8119.7167.8-179.4-109.7000109F86 G168 Q169 F189 L199 G209 L210F86-F166 HydrophobicContact CB-CE2 4.18Å; F86-F166 HydrophobicContact CB-CZ 4.1Å; F86-F166 AromaticContact CD1-CE2 3.81Å; F86-F166 HydrophobicContact CD1-CE2 3.81Å; F86-F166 HydrophobicContact CD1-CZ 4.49Å; F86-F166 AromaticContact CD2-CE2 3.85Å; F86-F166 HydrophobicContact CD2-CE2 3.85Å; F86-F166 HydrophobicContact CD2-CZ 4.44Å; F86-F166 HydrophobicContact CE1-CE2 4.13Å; F86-F166 HydrophobicContact CE2-CE2 4.18Å; F86-F166 AromaticContact CG-CE2 3.66Å; F86-F166 HydrophobicContact CG-CE2 3.66Å; F86-F166 HydrophobicContact CG-CZ 4.09Å; F86-F166 HydrophobicContact CZ-CE2 4.31Å; F166-G168 PolarHBondContact O-N 2.94Å; F166-Q169 PolarHBondContact N-O 2.98Å; F166-Q169 WeakPolarHBondContact O-CB 3.49Å; F166-Q169 PolarHBondContact O-N 3.18Å; F166-F189 HydrophobicContact CB-CZ 3.94Å; F166-F189 AromaticContact CD2-CE1 3.87Å; F166-F189 HydrophobicContact CD2-CE1 3.87Å; F166-F189 AromaticContact CD2-CZ 3.9Å; F166-F189 HydrophobicContact CD2-CZ 3.9Å; F166-F189 HydrophobicContact CE2-CE1 4.23Å; F166-F189 HydrophobicContact CG-CE1 4.31Å; F166-F189 AromaticContact CG-CZ 3.88Å; F166-F189 HydrophobicContact CG-CZ 3.88Å; F166-L199 HydrophobicContact CD1-CD1 3.94Å; F166-L199 HydrophobicContact CE1-CB 3.69Å; F166-L199 HydrophobicContact CE1-CD1 3.91Å; F166-L199 HydrophobicContact CE1-CD2 4.3Å; F166-L199 HydrophobicContact CE1-CG 4.19Å; F166-L199 HydrophobicContact CG-CD1 4.39Å; F166-L199 HydrophobicContact CZ-CB 3.77Å; F166-L199 HydrophobicContact CZ-CD1 4.34Å; F166-G209 WeakPolarHBondContact CA-O 3.12Å; F166-L210 HydrophobicContact CD2-CB 4.39Å
167R94.9Very high96.2Very high102 Ų10257.3 Ų57.339%0.38530%0.304SS..THydrogen-bonded Turntrans53.336.1-174.8-60.1166.657.4-167.2-8.7112.8Q169 T200 G207 N208 G209R167-Q169 PolarHBondContact O-N 3.12Å; R167-T200 WeakPolarHBondContact CD-O 3.43Å; R167-T200 PolarHBondContact NH1-O 3.39Å; R167-G207 CarbonylContact C-O 3.54Å; R167-N208 WeakPolarHBondContact CG-O 3.49Å; R167-G209 PolarHBondContact N-O 2Å
168G93.4Very high96.2Very high49 Ų4960.5 Ų60.551%0.50532%0.324SS..THydrogen-bonded Turntrans75.3-2.7-176.800000115.7F166F166-G168 PolarHBondContact O-N 2.94Å
169Q95.4Very high96.1Very high135 Ų13557.8 Ų57.863%0.63131%0.309SS*.EExtended strand (participates in β ladder)trans-88.2140.2173.4-62.5-59.7-40.100110.4R165 F166 R167R165-Q169 CarbonylContact C-O 3.59Å; R165-Q169 WeakPolarHBondContact CA-O 3.43Å; F166-Q169 PolarHBondContact N-O 2.98Å; F166-Q169 WeakPolarHBondContact O-CB 3.49Å; F166-Q169 PolarHBondContact O-N 3.18Å; R167-Q169 PolarHBondContact O-N 3.12Å
170P96.7Very high96.1Very high111 Ų11157.1 Ų57.172%0.72130%0.302SS*.EExtended strand (participates in β ladder)trans-63.6138.2178.228.2-34.2000110.8C164C164-P170 WeakPolarHBondContact O-CA 3.37Å
171C95.9Very high95.9Very high23 Ų2357.6 Ų57.616%0.15531%0.305CS..  trans-121.6167.7168.643.20000110.5C164 R165 N175C164-C171 HydrophobicContact CB-CB 4.13Å; C164-C171 WeakPolarHBondContact CB-O 3.35Å; C164-C171 WeakPolarHBondContact CB-SG 3.09Å; C164-C171 PolarHBondContact O-N 3.42Å; C164-C171 PolarHBondContact O-SG 3.01Å; C164-C171 WeakPolarHBondContact SG-CB 3.36Å; C164-C171 CovalentContact SG-SG 2.04Å; C164-C171 PolarHBondContact SG-SG 3.22Å; R165-C171 PolarHBondContact N-SG 3.31Å; C171-N175 WeakPolarHBondContact CA-OD1 3.41Å; C171-N175 VanDerWaalsContact CB-OD1 3.31Å; C171-N175 WeakPolarHBondContact CB-OD1 3.28Å
172G95.6Very high95.6Very high8 Ų860.3 Ų60.38%0.08231%0.314CS..  trans-139.9-179.3178.600000112.8E174 N175 F176G172-E174 VanDerWaalsContact CA-OE2 3.29Å; G172-E174 WeakPolarHBondContact CA-OE2 3.41Å; G172-E174 PolarHBondContact O-N 3.33Å; G172-E174 VanDerWaalsContact O-N 3.15Å; G172-N175 PolarHBondContact N-OD1 2.81Å; G172-N175 WeakPolarHBondContact O-CB 3.47Å; G172-N175 PolarHBondContact O-N 2.78Å; G172-N175 PolarHBondContact O-OD1 2.95Å; G172-F176 WeakPolarHBondContact O-CD2 3.47Å
173P96.3Very high95.4Very high37 Ų3758.8 Ų58.824%0.2431%0.306CS..G310 helixtrans-56.3-27.2178.3-24.134.9000113.8L157 D158 L161 N175 F176L157-P173 HydrophobicContact CB-CB 4.41Å; L157-P173 HydrophobicContact CD2-CB 4.12Å; L157-P173 HydrophobicContact CG-CB 4.25Å; D158-P173 HydrophobicContact CB-CG 4.48Å; L161-P173 HydrophobicContact CD2-CG 4.08Å; P173-N175 PolarHBondContact O-N 2.79Å; P173-F176 PolarHBondContact O-N 3.13Å; P173-F176 VanDerWaalsContact O-N 3.07Å
174E94Very high95.2Very high151 Ų15156.7 Ų56.771%0.70630%0.295SS*.G310 helixtrans-62.9-21.3175.968.2-80.5-172.500114G172 F176G172-E174 VanDerWaalsContact CA-OE2 3.29Å; G172-E174 WeakPolarHBondContact CA-OE2 3.41Å; G172-E174 PolarHBondContact O-N 3.33Å; G172-E174 VanDerWaalsContact O-N 3.15Å; E174-F176 PolarHBondContact O-N 2.84Å
175N94.9Very high95.1Very high73 Ų7358.3 Ų58.339%0.3930%0.301SS..G310 helixtrans-83.51175.8-58.9120.1000113C171 G172 P173 F189C171-N175 WeakPolarHBondContact CA-OD1 3.41Å; C171-N175 VanDerWaalsContact CB-OD1 3.31Å; C171-N175 WeakPolarHBondContact CB-OD1 3.28Å; G172-N175 PolarHBondContact N-OD1 2.81Å; G172-N175 WeakPolarHBondContact O-CB 3.47Å; G172-N175 PolarHBondContact O-N 2.78Å; G172-N175 PolarHBondContact O-OD1 2.95Å; P173-N175 PolarHBondContact O-N 2.79Å; N175-F189 HydrophobicContact CB-CD2 4.32Å; N175-F189 HydrophobicContact CB-CE2 4.07Å
176F96.6Very high95.2Very high14 Ų1452.8 Ų52.86%0.06128%0.281CS..EExtended strand (participates in β ladder)trans-115129.5-179.4-66.9-108.6000110.8L91 L157 L161 G172 P173 E174 T188 F189 I212L91-F176 HydrophobicContact CD2-CD1 4.42Å; L91-F176 HydrophobicContact CD2-CE1 3.79Å; L157-F176 HydrophobicContact CD2-CB 3.44Å; L157-F176 VanDerWaalsContact CD2-CB 3.44Å; L157-F176 HydrophobicContact CD2-CD1 3.87Å; L157-F176 HydrophobicContact CD2-CD2 3.6Å; L157-F176 HydrophobicContact CD2-CE1 4.49Å; L157-F176 HydrophobicContact CD2-CE2 4.29Å; L157-F176 HydrophobicContact CD2-CG 3.37Å; L161-F176 HydrophobicContact CD2-CE2 4.27Å; G172-F176 WeakPolarHBondContact O-CD2 3.47Å; P173-F176 PolarHBondContact O-N 3.13Å; P173-F176 VanDerWaalsContact O-N 3.07Å; E174-F176 PolarHBondContact O-N 2.84Å; F176-T188 WeakPolarHBondContact CA-O 3.49Å; F176-F189 HydrophobicContact CD1-CB 3.82Å; F176-F189 HydrophobicContact CD2-CD2 4.24Å; F176-F189 HydrophobicContact CE1-CB 3.57Å; F176-F189 HydrophobicContact CE1-CD2 4.15Å; F176-F189 HydrophobicContact CE1-CG 4.28Å; F176-F189 AromaticContact CE2-CD2 3.81Å; F176-F189 HydrophobicContact CE2-CD2 3.81Å; F176-F189 HydrophobicContact CZ-CB 4.04Å; F176-F189 AromaticContact CZ-CD2 3.76Å; F176-F189 HydrophobicContact CZ-CD2 3.76Å; F176-F189 HydrophobicContact CZ-CG 4.26Å; F176-I212 HydrophobicContact CZ-CG2 4.46Å
177T96.1Very high95.2Very high47 Ų4752.3 Ų52.329%0.28828%0.279SS..EExtended strand (participates in β ladder)trans-84.5129.8173.2-49.40000109.7I179 Y187 T188 S191 A193T177-I179 PolarHBondContact O-N 3.21Å; T177-Y187 CarbonylContact O-C 3.6Å; T177-Y187 WeakPolarHBondContact O-CA 3.24Å; T177-T188 PolarHBondContact N-O 3.47Å; T177-T188 PolarHBondContact O-N 2.87Å; T177-S191 PolarHBondContact OG1-OG 2.88Å; T177-A193 HydrophobicContact CG2-CB 4.17Å
178T95.8Very high95.3Very high70 Ų7047.8 Ų47.843%0.42926%0.262SS..EExtended strand (participates in β ladder)trans-71.8128.1172.8-60.50000109.8K185 C186 Y187T178-K185 HydrophobicContact CG2-CG 3.98Å; T178-C186 WeakPolarHBondContact CA-O 3.26Å; T178-Y187 HydrophobicContact CG2-CE1 4.43Å; T178-Y187 WeakPolarHBondContact OG1-CE1 3.37Å
179I95.3Very high95.6Very high51 Ų5145.5 Ų45.526%0.26224%0.238SC..EExtended strand (participates in β ladder)trans-131.6146.3175.5-172.3161.4000109.8T90 T177 T181 C186 T188 P248T90-I179 HydrophobicContact CG2-CG2 4.21Å; T177-I179 PolarHBondContact O-N 3.21Å; I179-T181 HydrophobicContact CG2-CG2 4.45Å; I179-C186 HydrophobicContact CG2-CB 3.96Å; I179-C186 PolarHBondContact N-O 2.77Å; I179-C186 CarbonylContact O-C 3.5Å; I179-C186 WeakPolarHBondContact O-CA 3.48Å; I179-C186 WeakPolarHBondContact O-CB 3.43Å; I179-C186 PolarHBondContact O-N 2.91Å; I179-C186 VanDerWaalsContact O-O 3.06Å; I179-T188 WeakPolarHBondContact CG2-OG1 3.41Å; I179-P248 HydrophobicContact CD1-CG 3.67Å
180F95.3Very high95.6Very high59 Ų5939.6 Ų39.626%0.25921%0.211SC..EExtended strand (participates in β ladder)trans-99.1129.2172.7-65.5-79.1000109.6A151 G184 K185 V333 Y334A151-F180 HydrophobicContact CB-CZ 4.01Å; F180-G184 WeakPolarHBondContact CA-O 3.48Å; F180-K185 HydrophobicContact CD1-CB 4.37Å; F180-K185 HydrophobicContact CE1-CB 4.06Å; F180-K185 HydrophobicContact CE1-CG 4.08Å; F180-V333 HydrophobicContact CB-CG1 3.92Å; F180-V333 HydrophobicContact CD1-CG1 3.89Å; F180-V333 HydrophobicContact CD2-CG1 4.27Å; F180-V333 HydrophobicContact CG-CG1 3.75Å; F180-Y334 WeakPolarHBondContact O-CA 3.25Å; F180-Y334 WeakPolarHBondContact O-CB 3.46Å
181T94.9Very high95.5Very high12 Ų1235.5 Ų35.57%0.07419%0.185CC..EExtended strand (participates in β ladder)trans-121-177.417473.90000109.4I179 M183 G184 C186 P248 I250I179-T181 HydrophobicContact CG2-CG2 4.45Å; T181-M183 PolarHBondContact O-N 2.8Å; T181-M183 PolarHBondContact OG1-N 3.47Å; T181-M183 VanDerWaalsContact OG1-N 3.12Å; T181-G184 PolarHBondContact N-O 2.89Å; T181-G184 PolarHBondContact O-N 2.72Å; T181-C186 HydrophobicContact CG2-CB 4.18Å; T181-C186 PolarHBondContact OG1-SG 3.18Å; T181-P248 HydrophobicContact CG2-CG 4.37Å; T181-I250 HydrophobicContact CG2-CG2 3.98Å
182R91.3Very high95.2Very high79 Ų7935.7 Ų35.730%0.29819%0.191SC..THydrogen-bonded Turntrans-58.2-25.6170.3-73.7172.8166.4-1471.1113G184 D251 E320 Y334R182-G184 PolarHBondContact O-N 3.03Å; R182-D251 HydrophobicContact CB-CB 4.29Å; R182-D251 WeakPolarHBondContact CD-OD2 3.38Å; R182-D251 IonicContact NE-OD2 3.03Å; R182-D251 IonicContact NH1-OD2 2.76Å; R182-E320 IonicContact CZ-OE1 3.54Å; R182-E320 IonicContact CZ-OE2 3.83Å; R182-E320 IonicContact NE-OE1 3.47Å; R182-E320 IonicContact NH2-OE1 2.72Å; R182-E320 PolarHBondContact NH2-OE1 2.88Å; R182-E320 IonicContact NH2-OE2 3.48Å; R182-E320 PolarHBondContact NH2-OE2 3.24Å; R182-Y334 HydrophobicContact CB-CE1 4.44Å; R182-Y334 HydrophobicContact CG-CD1 3.9Å; R182-Y334 HydrophobicContact CG-CD2 4.32Å; R182-Y334 HydrophobicContact CG-CE1 3.45Å; R182-Y334 VanDerWaalsContact CG-CE1 3.45Å; R182-Y334 HydrophobicContact CG-CE2 3.93Å; R182-Y334 HydrophobicContact CG-CG 4.32Å; R182-Y334 VanDerWaalsContact CG-CZ 3.47Å; R182-Y334 PolarHBondContact NE-OH 3.24Å; R182-Y334 VanDerWaalsContact NE-OH 3.15Å
183M91.7Very high94.6Very high27 Ų2737 Ų3713%0.13320%0.201CC..THydrogen-bonded Turntrans-79.9-1.1175-61.8-176.167.700113.7C92 I94 P96 T181 R238 I250 D251C92-M183 HydrophobicContact CB-CB 4.17Å; C92-M183 HydrophobicContact CB-CE 4.04Å; C92-M183 HydrophobicContact CB-SD 3.95Å; I94-M183 HydrophobicContact CG1-CE 4.21Å; P96-M183 WeakPolarHBondContact CB-O 3.44Å; T181-M183 PolarHBondContact O-N 2.8Å; T181-M183 PolarHBondContact OG1-N 3.47Å; T181-M183 VanDerWaalsContact OG1-N 3.12Å; M183-R238 HydrophobicContact CE-CB 3.99Å; M183-R238 HydrophobicContact CE-CG 3.84Å; M183-R238 HydrophobicContact SD-CB 3.94Å; M183-R238 HydrophobicContact SD-CG 4.15Å; M183-I250 HydrophobicContact CG-CG2 4.24Å; M183-I250 HydrophobicContact SD-CG1 4.35Å; M183-I250 HydrophobicContact SD-CG2 3.79Å; M183-D251 HydrophobicContact CG-CB 4.38Å
184G93Very high93.8Very high2 Ų243.3 Ų43.32%0.02123%0.233CC..EExtended strand (participates in β ladder)trans97.3-135.9-176.700000112.6F180 T181 R182F180-G184 WeakPolarHBondContact CA-O 3.48Å; T181-G184 PolarHBondContact N-O 2.89Å; T181-G184 PolarHBondContact O-N 2.72Å; R182-G184 PolarHBondContact O-N 3.03Å
185K96.6Very high93.2Very high38 Ų3839.8 Ų39.817%0.16524%0.237CC..EExtended strand (participates in β ladder)trans-82.9119.6-173.8-169.3-177.2-175.6-175.10110.9A151 T178 F180 Y187A151-K185 PolarHBondContact O-NZ 3.32Å; T178-K185 HydrophobicContact CG2-CG 3.98Å; F180-K185 HydrophobicContact CD1-CB 4.37Å; F180-K185 HydrophobicContact CE1-CB 4.06Å; F180-K185 HydrophobicContact CE1-CG 4.08Å; K185-Y187 WeakPolarHBondContact CE-OH 3.38Å; K185-Y187 PolarHBondContact NZ-OH 3.32Å
186C97.7Very high92.9Very high0 Ų039.1 Ų39.10%024%0.241CC..EExtended strand (participates in β ladder)trans-130.9171.1-175.4-58.50000111.7T90 L91 C92 T178 I179 T181T90-C186 HydrophobicContact CG2-CB 4.4Å; L91-C186 WeakPolarHBondContact O-CA 3.34Å; L91-C186 WeakPolarHBondContact O-CB 2.93Å; C92-C186 HydrophobicContact CB-CB 4.07Å; C92-C186 WeakPolarHBondContact CB-SG 3.44Å; C92-C186 WeakPolarHBondContact SG-CB 3.35Å; C92-C186 CovalentContact SG-SG 2Å; C92-C186 PolarHBondContact SG-SG 3.46Å; T178-C186 WeakPolarHBondContact CA-O 3.26Å; I179-C186 HydrophobicContact CG2-CB 3.96Å; I179-C186 PolarHBondContact N-O 2.77Å; I179-C186 CarbonylContact O-C 3.5Å; I179-C186 WeakPolarHBondContact O-CA 3.48Å; I179-C186 WeakPolarHBondContact O-CB 3.43Å; I179-C186 PolarHBondContact O-N 2.91Å; I179-C186 VanDerWaalsContact O-O 3.06Å; T181-C186 HydrophobicContact CG2-CB 4.18Å; T181-C186 PolarHBondContact OG1-SG 3.18Å
187Y97.9Very high92.6Very high11 Ų1147 Ų474%0.04328%0.279CS..EExtended strand (participates in β ladder)trans-135.2133.6-173.2-59.4-79.7000110.9T90 L91 H155 S156 L157 T177 T178 K185T90-Y187 CarbonylContact C-O 3.48Å; T90-Y187 WeakPolarHBondContact CA-O 3.33Å; L91-Y187 HydrophobicContact CD1-CD2 4.12Å; L91-Y187 PolarHBondContact N-O 2.82Å; L91-Y187 PolarHBondContact O-N 3.43Å; H155-Y187 PolarHBondContact O-OH 2.95Å; S156-Y187 WeakPolarHBondContact CA-OH 3.37Å; L157-Y187 HydrophobicContact CB-CD1 3.79Å; L157-Y187 HydrophobicContact CB-CD2 3.95Å; L157-Y187 HydrophobicContact CB-CE1 3.65Å; L157-Y187 HydrophobicContact CB-CE2 3.82Å; L157-Y187 HydrophobicContact CB-CG 3.94Å; L157-Y187 HydrophobicContact CD1-CD2 4.14Å; L157-Y187 HydrophobicContact CD1-CG 4.28Å; L157-Y187 HydrophobicContact CD2-CD1 3.95Å; L157-Y187 HydrophobicContact CD2-CG 3.93Å; L157-Y187 HydrophobicContact CG-CD1 4.42Å; L157-Y187 HydrophobicContact CG-CD2 4.45Å; L157-Y187 HydrophobicContact CG-CG 4.29Å; L157-Y187 PolarHBondContact N-OH 2.82Å; T177-Y187 CarbonylContact O-C 3.6Å; T177-Y187 WeakPolarHBondContact O-CA 3.24Å; T178-Y187 HydrophobicContact CG2-CE1 4.43Å; T178-Y187 WeakPolarHBondContact OG1-CE1 3.37Å; K185-Y187 WeakPolarHBondContact CE-OH 3.38Å; K185-Y187 PolarHBondContact NZ-OH 3.32Å
188T97.9Very high92.5Very high7 Ų747.6 Ų47.64%0.04328%0.28CS..EExtended strand (participates in β ladder)trans-115.8114.7-180-49.70000110.4A88 V89 T90 F176 T177 I179A88-T188 HydrophobicContact CB-CG2 4.03Å; V89-T188 CarbonylContact O-C 3.6Å; V89-T188 WeakPolarHBondContact O-CA 3.29Å; T90-T188 WeakPolarHBondContact OG1-CG2 3.35Å; T90-T188 PolarHBondContact OG1-OG1 3.49Å; T90-T188 VanDerWaalsContact OG1-OG1 3.07Å; F176-T188 WeakPolarHBondContact CA-O 3.49Å; T177-T188 PolarHBondContact N-O 3.47Å; T177-T188 PolarHBondContact O-N 2.87Å; I179-T188 WeakPolarHBondContact CG2-OG1 3.41Å
189F97.9Very high92.5Very high1 Ų147.2 Ų47.20%0.00428%0.275CS..EExtended strand (participates in β ladder)trans-76.1140.4168.1-175.5-103000110.2F86 A88 V89 F166 N175 F176 S191 L199 L210F86-F189 HydrophobicContact CD1-CD1 4.23Å; F86-F189 AromaticContact CD1-CE1 3.99Å; F86-F189 HydrophobicContact CD1-CE1 3.99Å; F86-F189 HydrophobicContact CE1-CD1 4.06Å; F86-F189 AromaticContact CE1-CE1 3.99Å; F86-F189 HydrophobicContact CE1-CE1 3.99Å; A88-F189 WeakPolarHBondContact CA-O 3.39Å; V89-F189 HydrophobicContact CB-CB 4.24Å; V89-F189 PolarHBondContact N-O 3.12Å; V89-F189 PolarHBondContact O-N 3.32Å; F166-F189 HydrophobicContact CB-CZ 3.94Å; F166-F189 AromaticContact CD2-CE1 3.87Å; F166-F189 HydrophobicContact CD2-CE1 3.87Å; F166-F189 AromaticContact CD2-CZ 3.9Å; F166-F189 HydrophobicContact CD2-CZ 3.9Å; F166-F189 HydrophobicContact CE2-CE1 4.23Å; F166-F189 HydrophobicContact CG-CE1 4.31Å; F166-F189 AromaticContact CG-CZ 3.88Å; F166-F189 HydrophobicContact CG-CZ 3.88Å; N175-F189 HydrophobicContact CB-CD2 4.32Å; N175-F189 HydrophobicContact CB-CE2 4.07Å; F176-F189 HydrophobicContact CD1-CB 3.82Å; F176-F189 HydrophobicContact CD2-CD2 4.24Å; F176-F189 HydrophobicContact CE1-CB 3.57Å; F176-F189 HydrophobicContact CE1-CD2 4.15Å; F176-F189 HydrophobicContact CE1-CG 4.28Å; F176-F189 AromaticContact CE2-CD2 3.81Å; F176-F189 HydrophobicContact CE2-CD2 3.81Å; F176-F189 HydrophobicContact CZ-CB 4.04Å; F176-F189 AromaticContact CZ-CD2 3.76Å; F176-F189 HydrophobicContact CZ-CD2 3.76Å; F176-F189 HydrophobicContact CZ-CG 4.26Å; F189-S191 VanDerWaalsContact C-N 3.3Å; F189-S191 PolarHBondContact O-N 2.9Å; F189-L199 HydrophobicContact CE1-CD1 3.73Å; F189-L199 HydrophobicContact CE2-CD1 4.2Å; F189-L199 HydrophobicContact CZ-CD1 3.38Å; F189-L210 HydrophobicContact CB-CD2 4.23Å; F189-L210 HydrophobicContact CD1-CD1 4.25Å; F189-L210 HydrophobicContact CD1-CD2 3.83Å; F189-L210 HydrophobicContact CD2-CD1 4.24Å; F189-L210 HydrophobicContact CE1-CD1 4.04Å; F189-L210 HydrophobicContact CE1-CD2 4.33Å; F189-L210 HydrophobicContact CE2-CD1 4.03Å; F189-L210 HydrophobicContact CG-CD1 4.33Å; F189-L210 HydrophobicContact CG-CD2 3.98Å; F189-L210 HydrophobicContact CZ-CD1 3.93Å
190N96.7Very high92.5Very high11 Ų1146.3 Ų46.36%0.05927%0.272CS..THydrogen-bonded Turntrans53.144.9176.5-167.237.8000113.4F86 P87 G192 L199 Q244F86-N190 PolarHBondContact O-ND2 3.49Å; P87-N190 PolarHBondContact O-ND2 3.05Å; N190-G192 VanDerWaalsContact C-N 3.3Å; N190-G192 PolarHBondContact O-N 2.78Å; N190-L199 HydrophobicContact CB-CD1 4.3Å; N190-L199 PolarHBondContact OD1-N 2.93Å; N190-Q244 PolarHBondContact ND2-NE2 3.3Å; N190-Q244 WeakPolarHBondContact O-CG 3.41Å
191S94.1Very high92.3Very high24 Ų2443.6 Ų43.617%0.16826%0.26CS..  trans-66.9-27.4-177.662.20000113.7T177 F189 A193T177-S191 PolarHBondContact OG1-OG 2.88Å; F189-S191 VanDerWaalsContact C-N 3.3Å; F189-S191 PolarHBondContact O-N 2.9Å; S191-A193 PolarHBondContact O-N 3.39Å; S191-A193 WeakPolarHBondContact OG-CB 3.25Å; S191-A193 PolarHBondContact OG-N 3.38Å; S191-A193 VanDerWaalsContact OG-N 3.16Å
192G89Confident92.1Very high27 Ų2745.9 Ų45.928%0.27827%0.274SS..  trans69.78.4-168.600000114.1N190 L198N190-G192 VanDerWaalsContact C-N 3.3Å; N190-G192 PolarHBondContact O-N 2.78Å; G192-L198 VanDerWaalsContact CA-CD2 3.45Å
193A84.6Confident92.1Very high37 Ų3749.8 Ų49.831%0.30629%0.289SS..G310 helixtrans-65.3155.3176.600000111.3T177 S191 G195 A196T177-A193 HydrophobicContact CG2-CB 4.17Å; S191-A193 PolarHBondContact O-N 3.39Å; S191-A193 WeakPolarHBondContact OG-CB 3.25Å; S191-A193 PolarHBondContact OG-N 3.38Å; S191-A193 VanDerWaalsContact OG-N 3.16Å; A193-G195 PolarHBondContact O-N 2.95Å; A193-A196 WeakPolarHBondContact O-CB 3.36Å; A193-A196 PolarHBondContact O-N 2.85Å; A193-A196 VanDerWaalsContact O-N 3.1Å
194D79.5Confident92Very high168 Ų16849.7 Ų49.790%0.89830%0.295SS*.G310 helixtrans56.923176.1-52.9-42.1000115.1A196D194-A196 VanDerWaalsContact C-N 3.33Å
195G80.9Confident91.9Very high77 Ų7750.8 Ų50.879%0.79431%0.306SS*.G310 helixtrans76.916.4179.900000114.4A193A193-G195 PolarHBondContact O-N 2.95Å
196A87.4Confident91.6Very high59 Ų5954.3 Ų54.349%0.48832%0.324SS..PPolyproline II helixtrans-61.3138.9174.200000111.7A193 D194 L198A193-A196 WeakPolarHBondContact O-CB 3.36Å; A193-A196 PolarHBondContact O-N 2.85Å; A193-A196 VanDerWaalsContact O-N 3.1Å; D194-A196 VanDerWaalsContact C-N 3.33Å; A196-L198 PolarHBondContact O-N 3.34Å
197E91.4Very high91.1Very high180 Ų18056.8 Ų56.884%0.84135%0.35SS*.PPolyproline II helixtrans-66.8132.2177.9-169.6-179.117600110.8L199E197-L199 PolarHBondContact O-N 3.34Å
198L94.6Very high90.9Very high59 Ų5957.6 Ų57.631%0.30936%0.355SS..PPolyproline II helixtrans-71.1127.3-179.3-60.8-174.3000111.3I85 G192 A196 Q244I85-L198 HydrophobicContact CG2-CB 4.09Å; I85-L198 HydrophobicContact CG2-CD1 4.08Å; G192-L198 VanDerWaalsContact CA-CD2 3.45Å; A196-L198 PolarHBondContact O-N 3.34Å; L198-Q244 HydrophobicContact CD1-CG 4.33Å; L198-Q244 HydrophobicContact CD2-CG 3.72Å
199L95Very high90.8Very high62 Ų6257.4 Ų57.433%0.32535%0.354SS..PPolyproline II helixtrans-68.9138.6177.3-60.5178.4000110.6F86 F166 F189 N190 E197F86-L199 WeakPolarHBondContact CB-O 3.36Å; F86-L199 PolarHBondContact N-O 3.11Å; F166-L199 HydrophobicContact CD1-CD1 3.94Å; F166-L199 HydrophobicContact CE1-CB 3.69Å; F166-L199 HydrophobicContact CE1-CD1 3.91Å; F166-L199 HydrophobicContact CE1-CD2 4.3Å; F166-L199 HydrophobicContact CE1-CG 4.19Å; F166-L199 HydrophobicContact CG-CD1 4.39Å; F166-L199 HydrophobicContact CZ-CB 3.77Å; F166-L199 HydrophobicContact CZ-CD1 4.34Å; F189-L199 HydrophobicContact CE1-CD1 3.73Å; F189-L199 HydrophobicContact CE2-CD1 4.2Å; F189-L199 HydrophobicContact CZ-CD1 3.38Å; N190-L199 HydrophobicContact CB-CD1 4.3Å; N190-L199 PolarHBondContact OD1-N 2.93Å; E197-L199 PolarHBondContact O-N 3.34Å
200T94.4Very high90.8Very high33 Ų3357.4 Ų57.420%0.20235%0.354CS..EExtended strand (participates in β ladder)trans-123.1155.2179.756.70000111.2R83 L84 I85 R167R83-T200 HydrophobicContact CG-CG2 4.13Å; L84-T200 CarbonylContact O-C 3.5Å; L84-T200 VanDerWaalsContact O-CA 3.25Å; L84-T200 WeakPolarHBondContact O-CA 3.39Å; L84-T200 WeakPolarHBondContact O-CB 3.46Å; I85-T200 HydrophobicContact CG1-CG2 4.13Å; R167-T200 WeakPolarHBondContact CD-O 3.43Å; R167-T200 PolarHBondContact NH1-O 3.39Å
201T92.8Very high90.8Very high2 Ų259 Ų591%0.01236%0.363CS..EExtended strand (participates in β ladder)trans-118.6147.2171.2-172.90000111.2R83 L84 R203 N208 F415 L418R83-T201 WeakPolarHBondContact CA-O 3.24Å; L84-T201 HydrophobicContact CB-CG2 4.28Å; L84-T201 PolarHBondContact N-O 3.45Å; L84-T201 PolarHBondContact O-N 3.03Å; T201-R203 PolarHBondContact OG1-O 3.37Å; T201-N208 PolarHBondContact OG1-O 2.86Å; T201-N208 VanDerWaalsContact OG1-O 3.14Å; T201-F415 HydrophobicContact CG2-CD2 3.35Å; T201-F415 HydrophobicContact CG2-CE2 3.66Å; T201-L418 HydrophobicContact CG2-CD2 4.22Å
202T90.4Very high91Very high60 Ų6057.9 Ų57.937%0.36836%0.355SS..SBendtrans-121.53.8-175.962.10000112.4R83 L418R83-T202 HydrophobicContact CG-CG2 4.39Å; T202-L418 WeakPolarHBondContact O-CD1 3.34Å
203R89.6Confident91.4Very high160 Ų16058.2 Ų58.260%0.60435%0.35SS*.SBendtrans-150.7144.3177.2-69.6-172.3-66.4-143.9-0.3109.5T201 N208T201-R203 PolarHBondContact OG1-O 3.37Å; R203-N208 HydrophobicContact CB-CB 4.16Å; R203-N208 WeakPolarHBondContact CB-ND2 3.44Å; R203-N208 PolarHBondContact NE-OD1 3.21Å; R203-N208 VanDerWaalsContact NE-OD1 3.16Å; R203-N208 PolarHBondContact NH2-OD1 3.03Å; R203-N208 WeakPolarHBondContact O-CB 3.32Å
204G90.6Very high92Very high26 Ų2656.5 Ų56.527%0.26834%0.335SS..  trans-74.8173.2169.200000112.8N208 F415G204-N208 PolarHBondContact O-ND2 3.06Å; G204-F415 CarbonylContact C-O 3.59Å; G204-F415 WeakPolarHBondContact CA-O 3.29Å
205G91.4Very high92.9Very high24 Ų2448.9 Ų48.925%0.24730%0.295CS..SBendtrans90.6160174.900000115.4G207 N208 F414 F415G205-G207 VanDerWaalsContact C-N 3.31Å; G205-G207 PolarHBondContact O-N 2.93Å; G205-G207 VanDerWaalsContact O-N 3.13Å; G205-N208 PolarHBondContact O-N 3.21Å; G205-F414 WeakPolarHBondContact O-CB 3.48Å; G205-F415 PolarHBondContact N-O 2.82Å
206M88.8Confident93.7Very high113 Ų11345.2 Ų45.256%0.55726%0.257SS*.G310 helixtrans-50.3-39.7-170.362-173.166.700115.4N208 G209 F414M206-N208 PolarHBondContact O-N 3.38Å; M206-G209 PolarHBondContact O-N 3.1Å; M206-F414 HydrophobicContact CB-CD1 3.97Å; M206-F414 HydrophobicContact CB-CE1 3.98Å; M206-F414 HydrophobicContact CB-CG 4.44Å; M206-F414 HydrophobicContact CB-CZ 4.47Å
207G88.4Confident94.1Very high51 Ų5143.3 Ų43.353%0.52624%0.238SC..G310 helixtrans-73.5-9.2-178.700000115.3R167 G205R167-G207 CarbonylContact C-O 3.54Å; G205-G207 VanDerWaalsContact C-N 3.31Å; G205-G207 PolarHBondContact O-N 2.93Å; G205-G207 VanDerWaalsContact O-N 3.13Å
208N93.8Very high94.3Very high28 Ų2837.9 Ų37.915%0.1521%0.212CC..G310 helixtrans-110.211.6-178.6-58.6-72.7000112.7R167 T201 R203 G204 G205 M206R167-N208 WeakPolarHBondContact CG-O 3.49Å; T201-N208 PolarHBondContact OG1-O 2.86Å; T201-N208 VanDerWaalsContact OG1-O 3.14Å; R203-N208 HydrophobicContact CB-CB 4.16Å; R203-N208 WeakPolarHBondContact CB-ND2 3.44Å; R203-N208 PolarHBondContact NE-OD1 3.21Å; R203-N208 VanDerWaalsContact NE-OD1 3.16Å; R203-N208 PolarHBondContact NH2-OD1 3.03Å; R203-N208 WeakPolarHBondContact O-CB 3.32Å; G204-N208 PolarHBondContact O-ND2 3.06Å; G205-N208 PolarHBondContact O-N 3.21Å; M206-N208 PolarHBondContact O-N 3.38Å
209G95.4Very high94.3Very high3 Ų339 Ų393%0.03122%0.216CC..SBendtrans-109.2-156.7177.800000113.5F166 R167 M206 I413F166-G209 WeakPolarHBondContact CA-O 3.12Å; R167-G209 PolarHBondContact N-O 2Å; M206-G209 PolarHBondContact O-N 3.1Å; G209-I413 CarbonylContact C-O 3.59Å; G209-I413 WeakPolarHBondContact CA-O 3.33Å
210L97.8Very high94.3Very high1 Ų138 Ų381%0.00521%0.209CC..EExtended strand (participates in β ladder)trans-95.5122.9170.1177.666.9000109F86 V89 R165 F166 F189 I212 D412 I413F86-L210 HydrophobicContact CE1-CB 3.89Å; F86-L210 HydrophobicContact CZ-CB 3.66Å; V89-L210 HydrophobicContact CB-CD2 4.31Å; V89-L210 HydrophobicContact CG1-CD2 4.39Å; V89-L210 HydrophobicContact CG2-CD2 4.28Å; R165-L210 WeakPolarHBondContact O-CA 3.17Å; F166-L210 HydrophobicContact CD2-CB 4.39Å; F189-L210 HydrophobicContact CB-CD2 4.23Å; F189-L210 HydrophobicContact CD1-CD1 4.25Å; F189-L210 HydrophobicContact CD1-CD2 3.83Å; F189-L210 HydrophobicContact CD2-CD1 4.24Å; F189-L210 HydrophobicContact CE1-CD1 4.04Å; F189-L210 HydrophobicContact CE1-CD2 4.33Å; F189-L210 HydrophobicContact CE2-CD1 4.03Å; F189-L210 HydrophobicContact CG-CD1 4.33Å; F189-L210 HydrophobicContact CG-CD2 3.98Å; F189-L210 HydrophobicContact CZ-CD1 3.93Å; L210-I212 HydrophobicContact CD1-CG2 3.74Å; L210-I212 HydrophobicContact CD2-CG2 4.39Å; L210-I212 HydrophobicContact CG-CG2 3.93Å; L210-D412 CarbonylContact O-C 3.49Å; L210-D412 WeakPolarHBondContact O-CA 3.21Å; L210-I413 PolarHBondContact N-O 3.37Å; L210-I413 PolarHBondContact O-N 3.21Å
211D97.3Very high94.2Very high45 Ų4537.8 Ų37.824%0.24121%0.205CC..EExtended strand (participates in β ladder)trans-117.5116.9174.3168.211.9000107.4C164 R165 D412C164-D211 CarbonylContact C-O 3.53Å; C164-D211 WeakPolarHBondContact CA-O 3.1Å; R165-D211 HydrophobicContact CB-CB 4.36Å; R165-D211 PolarHBondContact N-O 2.9Å; R165-D211 PolarHBondContact O-N 3.06Å; D211-D412 WeakPolarHBondContact CB-OD1 3.34Å
212I97.6Very high94.1Very high0 Ų039 Ų390%021%0.212CC..EExtended strand (participates in β ladder)trans-130142.1178.363.3-179.6000111.6L91 L161 D163 C164 F176 L210 L214 A410 L411L91-I212 HydrophobicContact CD2-CD1 3.79Å; L161-I212 HydrophobicContact CD1-CB 4.2Å; L161-I212 HydrophobicContact CD1-CG2 4.24Å; D163-I212 WeakPolarHBondContact O-CA 3.47Å; C164-I212 HydrophobicContact CB-CG2 4.26Å; F176-I212 HydrophobicContact CZ-CG2 4.46Å; L210-I212 HydrophobicContact CD1-CG2 3.74Å; L210-I212 HydrophobicContact CD2-CG2 4.39Å; L210-I212 HydrophobicContact CG-CG2 3.93Å; I212-L214 HydrophobicContact CD1-CD1 3.67Å; I212-L214 HydrophobicContact CD1-CG 4.24Å; I212-L214 HydrophobicContact CG1-CD1 4.25Å; I212-L214 HydrophobicContact CG1-CG 4.43Å; I212-A410 CarbonylContact O-C 3.54Å; I212-A410 WeakPolarHBondContact O-CA 3.46Å; I212-L411 HydrophobicContact CD1-CB 4.41Å; I212-L411 HydrophobicContact CD1-CD2 4.05Å; I212-L411 HydrophobicContact CG1-CB 3.84Å; I212-L411 HydrophobicContact CG1-CD2 4.35Å; I212-L411 HydrophobicContact CG1-CG 4.47Å; I212-L411 PolarHBondContact N-O 3.29Å; I212-L411 PolarHBondContact O-N 2.85Å
213M97.7Very high93.9Very high35 Ų3537.9 Ų37.917%0.17221%0.205CC..EExtended strand (participates in β ladder)trans-114.8123.2170.5-167.5176.6-55.100108.8L162 D163 V408 L409L162-M213 HydrophobicContact CB-CB 4.29Å; L162-M213 HydrophobicContact CB-CG 4.28Å; L162-M213 WeakPolarHBondContact CB-O 3.29Å; L162-M213 HydrophobicContact CD1-CG 4.3Å; L162-M213 PolarHBondContact N-O 3.21Å; D163-M213 HydrophobicContact CB-CB 4.01Å; D163-M213 PolarHBondContact N-O 3.33Å; D163-M213 PolarHBondContact O-N 3.21Å; M213-V408 HydrophobicContact CG-CG1 3.73Å; M213-V408 HydrophobicContact SD-CG1 4.05Å; M213-L409 CarbonylContact C-O 3.58Å; M213-L409 WeakPolarHBondContact CA-O 3.31Å
214L98.1Very high93.5Very high0 Ų034 Ų340%020%0.199CC..EExtended strand (participates in β ladder)trans-122.5145.1-173.4-68.3167.1000111.5L91 L157 M160 L161 I212 I237 V408 L409L91-L214 HydrophobicContact CD2-CD1 4.27Å; L157-L214 HydrophobicContact CD1-CD2 4.29Å; M160-L214 HydrophobicContact CB-CD2 4.15Å; M160-L214 CarbonylContact O-C 3.49Å; M160-L214 VanDerWaalsContact O-CA 3.25Å; M160-L214 WeakPolarHBondContact O-CA 3.38Å; L161-L214 HydrophobicContact CB-CD2 4.28Å; L161-L214 HydrophobicContact CD1-CD2 3.76Å; I212-L214 HydrophobicContact CD1-CD1 3.67Å; I212-L214 HydrophobicContact CD1-CG 4.24Å; I212-L214 HydrophobicContact CG1-CD1 4.25Å; I212-L214 HydrophobicContact CG1-CG 4.43Å; L214-I237 HydrophobicContact CD1-CD1 3.48Å; L214-I237 VanDerWaalsContact CD1-CD1 3.48Å; L214-V408 WeakPolarHBondContact O-CA 3.42Å; L214-L409 HydrophobicContact CB-CD1 3.87Å; L214-L409 HydrophobicContact CB-CG 4.06Å; L214-L409 HydrophobicContact CD1-CD1 4.11Å; L214-L409 HydrophobicContact CG-CD1 4.42Å; L214-L409 PolarHBondContact N-O 3.05Å; L214-L409 PolarHBondContact O-N 3.05Å
215D97.7Very high92.9Very high9 Ų937 Ų375%0.04820%0.202CC..EExtended strand (participates in β ladder)trans-101118.5166.8-171.4-14.6000109M160 L162 Q217 Y403 N407M160-D215 WeakPolarHBondContact CG-O 3.46Å; M160-D215 PolarHBondContact O-N 3.03Å; L162-D215 HydrophobicContact CD1-CB 4.09Å; L162-D215 HydrophobicContact CD2-CB 4.11Å; L162-D215 HydrophobicContact CG-CB 4.12Å; D215-Q217 VanDerWaalsContact C-N 3.33Å; D215-Q217 HydrophobicContact CB-CG 4.45Å; D215-Q217 PolarHBondContact OD1-N 3.09Å; D215-Y403 PolarHBondContact OD1-OH 3.15Å; D215-Y403 WeakPolarHBondContact OD2-CE1 3.34Å; D215-Y403 PolarHBondContact OD2-OH 2.7Å; D215-N407 WeakPolarHBondContact OD1-CB 3.46Å
216V97.3Very high92.1Very high0 Ų040.1 Ų40.10%021%0.207CC..  trans-78.3-17.5179.5-57.80000113.3N93 Q218 Y221 V235 I237 P259 N407 L409N93-V216 PolarHBondContact ND2-O 3.02Å; V216-Q218 HydrophobicContact CG2-CG 3.96Å; V216-Y221 WeakPolarHBondContact O-CE1 3.47Å; V216-V235 HydrophobicContact CG2-CG1 4.06Å; V216-I237 HydrophobicContact CG1-CG2 4.11Å; V216-P259 HydrophobicContact CG2-CB 4.37Å; V216-P259 HydrophobicContact CG2-CG 4.39Å; V216-N407 HydrophobicContact CG2-CB 4.28Å; V216-N407 WeakPolarHBondContact CG2-O 3.25Å; V216-N407 PolarHBondContact N-O 3.43Å; V216-L409 HydrophobicContact CG1-CD2 3.53Å; V216-L409 HydrophobicContact CG1-CG 4.48Å
217Q97Very high91.1Very high18 Ų1841.2 Ų41.28%0.08422%0.215CC..  trans57.957.5177.7-53.4171.9-25.300113.5H155 D159 D215 E219 E220 Y221H155-Q217 PolarHBondContact ND1-OE1 3.03Å; D159-Q217 PolarHBondContact O-NE2 3.19Å; D215-Q217 VanDerWaalsContact C-N 3.33Å; D215-Q217 HydrophobicContact CB-CG 4.45Å; D215-Q217 PolarHBondContact OD1-N 3.09Å; Q217-E219 PolarHBondContact O-N 2.95Å; Q217-E219 VanDerWaalsContact O-N 3.11Å; Q217-E220 HydrophobicContact CB-CB 4.31Å; Q217-E220 HydrophobicContact CB-CG 4.31Å; Q217-E220 WeakPolarHBondContact O-CB 3.31Å; Q217-E220 PolarHBondContact O-N 3.04Å; Q217-Y221 WeakPolarHBondContact O-CD1 3.43Å
218Q95.3Very high90Very high67 Ų6741.2 Ų41.231%0.31320%0.203SC..G310 helixtrans-55.8-28.6-179.9-74.7-171.460.100113.6V216 E220 Y221 V235 E406 N407V216-Q218 HydrophobicContact CG2-CG 3.96Å; Q218-E220 PolarHBondContact O-N 3.22Å; Q218-Y221 VanDerWaalsContact O-CB 3.31Å; Q218-Y221 WeakPolarHBondContact O-CB 3.41Å; Q218-Y221 PolarHBondContact O-N 3.42Å; Q218-V235 VanDerWaalsContact CD-CG1 3.41Å; Q218-V235 HydrophobicContact CG-CG1 3.46Å; Q218-V235 VanDerWaalsContact CG-CG1 3.46Å; Q218-V235 HydrophobicContact CG-CG2 4.34Å; Q218-E406 PolarHBondContact NE2-O 3.49Å; Q218-N407 WeakPolarHBondContact CB-OD1 3.08Å; Q218-N407 WeakPolarHBondContact CG-OD1 3.24Å; Q218-N407 PolarHBondContact N-OD1 2.71Å
219E93.4Very high88.5Confident83 Ų8349.7 Ų49.739%0.38824%0.242SC..G310 helixtrans-63.5-20.8175.867.6-89.2-148.900113.7Q217 Y403Q217-E219 PolarHBondContact O-N 2.95Å; Q217-E219 VanDerWaalsContact O-N 3.11Å; E219-Y403 VanDerWaalsContact CD-OH 3.31Å; E219-Y403 WeakPolarHBondContact OE1-CE2 3.42Å; E219-Y403 PolarHBondContact OE1-OH 3.18Å; E219-Y403 WeakPolarHBondContact OE2-CE2 3.19Å; E219-Y403 PolarHBondContact OE2-OH 3.48Å
220E94.6Very high87Confident39 Ų3954.9 Ų54.918%0.18227%0.265CS..G310 helixtrans-90.6-0.1176.2-70-65.8156.200112.9N95 R98 R99 S100 Q217 Q218N95-E220 PolarHBondContact ND2-O 3.39Å; N95-E220 VanDerWaalsContact ND2-O 3.16Å; R98-E220 HydrophobicContact CB-CB 4.27Å; R98-E220 WeakPolarHBondContact CB-OE2 3.33Å; R98-E220 HydrophobicContact CG-CB 4.07Å; R98-E220 HydrophobicContact CG-CG 4.41Å; R99-E220 VanDerWaalsContact CB-O 3.25Å; R99-E220 WeakPolarHBondContact CB-O 3.21Å; R99-E220 PolarHBondContact N-O 2.87Å; R99-E220 PolarHBondContact N-OE2 3.49Å; S100-E220 VanDerWaalsContact CB-OE1 3.28Å; S100-E220 WeakPolarHBondContact CB-OE1 3.44Å; S100-E220 WeakPolarHBondContact CB-OE2 3.45Å; S100-E220 PolarHBondContact N-OE2 2.9Å; S100-E220 PolarHBondContact OG-OE1 3.31Å; S100-E220 PolarHBondContact OG-OE2 3.48Å; Q217-E220 HydrophobicContact CB-CB 4.31Å; Q217-E220 HydrophobicContact CB-CG 4.31Å; Q217-E220 WeakPolarHBondContact O-CB 3.31Å; Q217-E220 PolarHBondContact O-N 3.04Å; Q218-E220 PolarHBondContact O-N 3.22Å
221Y93.2Very high85.5Confident30 Ų3056.4 Ų56.412%0.11827%0.274CS..SBendtrans-69.3143.5179.4-79.638.1000111.2N93 N95 V216 Q217 Q218 V235 G236N93-Y221 PolarHBondContact OD1-OH 2.85Å; N95-Y221 HydrophobicContact CB-CD1 3.54Å; N95-Y221 HydrophobicContact CB-CD2 3.89Å; N95-Y221 HydrophobicContact CB-CE1 3.52Å; N95-Y221 HydrophobicContact CB-CE2 3.85Å; N95-Y221 HydrophobicContact CB-CG 3.74Å; V216-Y221 WeakPolarHBondContact O-CE1 3.47Å; Q217-Y221 WeakPolarHBondContact O-CD1 3.43Å; Q218-Y221 VanDerWaalsContact O-CB 3.31Å; Q218-Y221 WeakPolarHBondContact O-CB 3.41Å; Q218-Y221 PolarHBondContact O-N 3.42Å; Y221-V235 HydrophobicContact CE2-CB 4.47Å; Y221-V235 HydrophobicContact CE2-CG1 4.45Å; Y221-V235 HydrophobicContact CE2-CG2 4.12Å; Y221-G236 PolarHBondContact OH-N 2.02Å; Y221-G236 PolarHBondContact OH-O 3.46Å
222L89.9Confident84.4Confident27 Ų2756.5 Ų56.514%0.14128%0.278CS..PPolyproline II helixtrans-70.3135.9174.2-60.6-173.2000110.2N95 L97 R99 L102 L115 L129 V224N95-L222 PolarHBondContact OD1-N 2.78Å; L97-L222 HydrophobicContact CB-CD1 4.15Å; L97-L222 WeakPolarHBondContact O-CG 3.15Å; R99-L222 HydrophobicContact CB-CD2 4.1Å; L102-L222 HydrophobicContact CD1-CD1 4.19Å; L102-L222 HydrophobicContact CD1-CD2 3.42Å; L102-L222 VanDerWaalsContact CD1-CD2 3.42Å; L102-L222 HydrophobicContact CD1-CG 4.48Å; L102-L222 HydrophobicContact CG-CD2 4.38Å; L115-L222 HydrophobicContact CD1-CD1 4.46Å; L115-L222 HydrophobicContact CD2-CD1 3.63Å; L129-L222 HydrophobicContact CD2-CD2 4.45Å; L222-V224 PolarHBondContact O-N 2.81Å
223P87.2Confident83.8Confident37 Ų3763.3 Ų63.324%0.2431%0.307CS..PPolyproline II helixtrans-66.9135.2174.928.4-32.2000109.7F125 L129 W225F125-P223 HydrophobicContact CD2-CG 4.37Å; F125-P223 HydrophobicContact CE2-CG 3.74Å; F125-P223 HydrophobicContact CZ-CG 4.14Å; L129-P223 HydrophobicContact CD2-CG 3.65Å; P223-W225 PolarHBondContact O-N 2.96Å
224V81.1Confident83.5Confident77 Ų7766.3 Ų66.347%0.46732%0.321SS..PPolyproline II helixtrans-69.7116173.7-175.90000108.6L222 F233L222-V224 PolarHBondContact O-N 2.81Å; V224-F233 HydrophobicContact CG1-CE1 3.89Å; V224-F233 HydrophobicContact CG1-CZ 4.38Å; V224-F233 HydrophobicContact CG2-CD1 4.42Å; V224-F233 HydrophobicContact CG2-CE1 4.37Å
225W78.4Confident83.3Confident90 Ų9068.8 Ų68.834%0.34134%0.336SS..  trans-105.6-37.8-177.4-158.7-93.8000112.9L117 E121 A124 F125 A128 P223L117-W225 HydrophobicContact CD2-CB 3.83Å; L117-W225 HydrophobicContact CD2-CD2 4.26Å; L117-W225 HydrophobicContact CD2-CG 3.51Å; E121-W225 PolarHBondContact OE1-NE1 3.38Å; A124-W225 HydrophobicContact CB-CH2 3.87Å; A124-W225 HydrophobicContact CB-CZ2 3.88Å; F125-W225 HydrophobicContact CD2-CB 4.35Å; F125-W225 AromaticContact CD2-CD2 3.99Å; F125-W225 HydrophobicContact CD2-CD2 3.99Å; F125-W225 AromaticContact CD2-CE3 3.77Å; F125-W225 HydrophobicContact CD2-CE3 3.77Å; F125-W225 HydrophobicContact CD2-CG 4.26Å; F125-W225 HydrophobicContact CD2-CZ3 4.38Å; F125-W225 HydrophobicContact CE2-CB 4.36Å; F125-W225 HydrophobicContact CE2-CE3 4.46Å; A128-W225 HydrophobicContact CB-CH2 4.42Å; A128-W225 HydrophobicContact CB-CZ3 3.68Å; P223-W225 PolarHBondContact O-N 2.96Å
226R73.4Confident83.2Confident90 Ų9068.3 Ų68.334%0.3433%0.334SS..SBendtrans-135.3150.6175.2-67.4-173.7-176.1-174.6-0.2108.8G116 D118 E121 N228 T231G116-R226 WeakPolarHBondContact O-CD 3.37Å; G116-R226 PolarHBondContact O-NE 2.79Å; G116-R226 PolarHBondContact O-NH1 2.77Å; D118-R226 IonicContact OD2-CZ 2.86Å; D118-R226 IonicContact OD2-NH1 3.88Å; D118-R226 PolarHBondContact OD2-NH1 3.48Å; D118-R226 IonicContact OD2-NH2 3.72Å; D118-R226 PolarHBondContact OD2-NH2 2.99Å; E121-R226 IonicContact OE1-NH2 3.78Å; E121-R226 IonicContact OE2-CZ 3.67Å; E121-R226 IonicContact OE2-NE 3.55Å; E121-R226 IonicContact OE2-NH2 3.97Å; E121-R226 PolarHBondContact OE2-NH2 3.07Å; R226-N228 WeakPolarHBondContact CB-OD1 3.48Å; R226-N228 PolarHBondContact O-N 2.92Å; R226-T231 WeakPolarHBondContact O-CG2 3.38Å
227D67.7Low83.2Confident135 Ų13568.3 Ų68.372%0.72233%0.334SS*.  trans-77.498.6170-168.113000108
228N67.3Low83.2Confident52 Ų5270.4 Ų70.428%0.27834%0.341SS..  trans-118.5154175.9-57.5-17.6000108.1L115 R226 E230 T231L115-N228 PolarHBondContact O-ND2 3.5Å; R226-N228 WeakPolarHBondContact CB-OD1 3.48Å; R226-N228 PolarHBondContact O-N 2.92Å; N228-E230 PolarHBondContact O-N 3.29Å; N228-T231 HydrophobicContact CB-CG2 4.33Å; N228-T231 PolarHBondContact N-OG1 3.37Å; N228-T231 PolarHBondContact O-N 3.45Å; N228-T231 PolarHBondContact O-OG1 3.47Å
229E62Low83.3Confident206 Ų20667.3 Ų67.396%0.96333%0.326SS*.THydrogen-bonded Turntrans-57.6-22.8178.2-64.9-178175.100113.2
230E63.8Low83.5Confident111 Ų11163.8 Ų63.852%0.51931%0.31SS..THydrogen-bonded Turntrans-95.5-2.5-178.7-62.5179.9-179.400114.4N228 P232 H352N228-E230 PolarHBondContact O-N 3.29Å; E230-P232 WeakPolarHBondContact O-CD 3.38Å; E230-H352 IonicContact OE1-CD2 3.47Å; E230-H352 IonicContact OE1-CE1 3.88Å; E230-H352 IonicContact OE1-NE2 3.57Å
231T66.6Low83.7Confident33 Ų3363 Ų6320%0.20231%0.307CS..  trans-81.2112.5178.543.40000111.3R226 N228 F233R226-T231 WeakPolarHBondContact O-CG2 3.38Å; N228-T231 HydrophobicContact CB-CG2 4.33Å; N228-T231 PolarHBondContact N-OG1 3.37Å; N228-T231 PolarHBondContact O-N 3.45Å; N228-T231 PolarHBondContact O-OG1 3.47Å; T231-F233 PolarHBondContact O-N 2.92Å
232P73.3Confident83.8Confident48 Ų4862 Ų6231%0.31230%0.303SS..  trans-75.6119.2177.629.9-31.9000110.1I94 E230 E234I94-P232 HydrophobicContact CG2-CB 3.46Å; I94-P232 VanDerWaalsContact CG2-CB 3.46Å; I94-P232 HydrophobicContact CG2-CG 4.18Å; E230-P232 WeakPolarHBondContact O-CD 3.38Å; P232-E234 VanDerWaalsContact C-N 3.27Å
233F84.4Confident84Confident142 Ų14261.5 Ų61.562%0.62330%0.302SS*.  trans-84.3-8.1167.4-61-78.1000112.5V224 T231V224-F233 HydrophobicContact CG1-CE1 3.89Å; V224-F233 HydrophobicContact CG1-CZ 4.38Å; V224-F233 HydrophobicContact CG2-CD1 4.42Å; V224-F233 HydrophobicContact CG2-CE1 4.37Å; T231-F233 PolarHBondContact O-N 2.92Å
234E91.1Very high84.3Confident99 Ų9961.8 Ų61.846%0.46330%0.3SS..  trans-85.3149-175.6-61.3171.8174.200111.1I94 P232 R238I94-E234 HydrophobicContact CD1-CB 3.79Å; I94-E234 HydrophobicContact CG2-CB 4.08Å; I94-E234 WeakPolarHBondContact CG2-O 3.49Å; P232-E234 VanDerWaalsContact C-N 3.27Å; E234-R238 IonicContact OE1-NH2 3.82Å; E234-R238 IonicContact OE2-CZ 2.84Å; E234-R238 IonicContact OE2-NE 3.54Å; E234-R238 IonicContact OE2-NH2 3.62Å; E234-R238 PolarHBondContact OE2-NH2 3.47Å
235V94.1Very high84.6Confident51 Ų5163.6 Ų63.631%0.30930%0.303SS..  trans-119.7136171.5176.70000108.7V216 Q218 Y221 P259V216-V235 HydrophobicContact CG2-CG1 4.06Å; Q218-V235 VanDerWaalsContact CD-CG1 3.41Å; Q218-V235 HydrophobicContact CG-CG1 3.46Å; Q218-V235 VanDerWaalsContact CG-CG1 3.46Å; Q218-V235 HydrophobicContact CG-CG2 4.34Å; Y221-V235 HydrophobicContact CE2-CB 4.47Å; Y221-V235 HydrophobicContact CE2-CG1 4.45Å; Y221-V235 HydrophobicContact CE2-CG2 4.12Å; V235-P259 HydrophobicContact CG1-CG 3.88Å
236G96Very high85.1Confident0 Ų061.3 Ų61.30%030%0.296CS..SBendtrans137.9-162.4-176.700000112.2I94 Y221 V257I94-G236 WeakPolarHBondContact CB-O 3.44Å; I94-G236 WeakPolarHBondContact CG1-O 3.49Å; I94-G236 PolarHBondContact N-O 3.43Å; Y221-G236 PolarHBondContact OH-N 2.02Å; Y221-G236 PolarHBondContact OH-O 3.46Å; G236-V257 VanDerWaalsContact CA-O 3.31Å; G236-V257 WeakPolarHBondContact CA-O 3.28Å
237I97.3Very high86Confident0 Ų058.6 Ų58.60%029%0.29CS..EExtended strand (participates in β ladder)trans-120.2155171.964175.7000109.4C92 M160 L214 V216 V239 V257 L409C92-I237 CarbonylContact O-C 3.57Å; C92-I237 WeakPolarHBondContact O-CA 3.04Å; C92-I237 WeakPolarHBondContact O-CB 3.41Å; M160-I237 HydrophobicContact CE-CG2 4.04Å; L214-I237 HydrophobicContact CD1-CD1 3.48Å; L214-I237 VanDerWaalsContact CD1-CD1 3.48Å; V216-I237 HydrophobicContact CG1-CG2 4.11Å; I237-V239 HydrophobicContact CD1-CG2 3.76Å; I237-V239 HydrophobicContact CG1-CG2 4Å; I237-V257 HydrophobicContact CD1-CB 4.33Å; I237-V257 HydrophobicContact CG1-CB 3.77Å; I237-V257 HydrophobicContact CG1-CG2 4.33Å; I237-V257 PolarHBondContact N-O 2.95Å; I237-V257 VanDerWaalsContact N-O 3.12Å; I237-V257 PolarHBondContact O-N 2.7Å; I237-L409 HydrophobicContact CD1-CD1 3.83Å; I237-L409 HydrophobicContact CD1-CD2 4.09Å; I237-L409 HydrophobicContact CG1-CD1 4.45Å; I237-L409 HydrophobicContact CG1-CD2 3.88Å; I237-L409 HydrophobicContact CG2-CD2 4.23Å
238R97.4Very high87.3Confident62 Ų6253.1 Ų53.123%0.23426%0.262CS..EExtended strand (participates in β ladder)trans-100.5143.7161.9-68.2-166.6179.4-161.1-1.6109.6L91 C92 I94 M183 E234 I250 D251 L255L91-R238 WeakPolarHBondContact CA-O 3.37Å; C92-R238 PolarHBondContact N-O 3.48Å; C92-R238 PolarHBondContact O-N 2.9Å; I94-R238 HydrophobicContact CG1-CG 4.15Å; M183-R238 HydrophobicContact CE-CB 3.99Å; M183-R238 HydrophobicContact CE-CG 3.84Å; M183-R238 HydrophobicContact SD-CB 3.94Å; M183-R238 HydrophobicContact SD-CG 4.15Å; E234-R238 IonicContact OE1-NH2 3.82Å; E234-R238 IonicContact OE2-CZ 2.84Å; E234-R238 IonicContact OE2-NE 3.54Å; E234-R238 IonicContact OE2-NH2 3.62Å; E234-R238 PolarHBondContact OE2-NH2 3.47Å; R238-I250 HydrophobicContact CB-CD1 4Å; R238-I250 HydrophobicContact CB-CG1 3.83Å; R238-I250 WeakPolarHBondContact O-CD1 3.31Å; R238-D251 PolarHBondContact NH1-O 3.31Å; R238-L255 CarbonylContact C-O 3.4Å; R238-L255 WeakPolarHBondContact CA-O 3.45Å
239V97.9Very high88.5Confident1 Ų151.7 Ų51.71%0.00625%0.254CS..EExtended strand (participates in β ladder)trans-131132.3-178.8-176.80000109.7V89 T90 L91 I237 G254 L255 V257 L411 I413V89-V239 HydrophobicContact CG1-CG1 3.72Å; T90-V239 CarbonylContact O-C 3.49Å; T90-V239 VanDerWaalsContact O-CA 3.29Å; T90-V239 WeakPolarHBondContact O-CA 3.25Å; L91-V239 HydrophobicContact CB-CG2 4.28Å; I237-V239 HydrophobicContact CD1-CG2 3.76Å; I237-V239 HydrophobicContact CG1-CG2 4Å; V239-G254 CarbonylContact O-C 3.59Å; V239-G254 VanDerWaalsContact O-CA 3.28Å; V239-G254 WeakPolarHBondContact O-CA 3.28Å; V239-L255 HydrophobicContact CB-CD1 4.25Å; V239-L255 HydrophobicContact CB-CG 4.18Å; V239-L255 PolarHBondContact N-O 3.49Å; V239-L255 WeakPolarHBondContact O-CG 3.35Å; V239-L255 PolarHBondContact O-N 2.55Å; V239-V257 HydrophobicContact CB-CG2 4.45Å; V239-V257 HydrophobicContact CG2-CG2 3.8Å; V239-L411 HydrophobicContact CG1-CD2 4.21Å; V239-L411 HydrophobicContact CG2-CD2 3.77Å; V239-I413 HydrophobicContact CG1-CD1 4.25Å
240Q97.8Very high90Very high9 Ų941.9 Ų41.94%0.04221%0.208CC..EExtended strand (participates in β ladder)trans-121.9129.9172-173.5-177.3-0.900109.5T90 P248 I249 I250T90-Q240 PolarHBondContact N-O 3.43Å; T90-Q240 PolarHBondContact O-N 3.49Å; Q240-P248 VanDerWaalsContact OE1-CA 3.22Å; Q240-I249 VanDerWaalsContact OE1-C 3.28Å; Q240-I250 HydrophobicContact CB-CB 4.28Å; Q240-I250 HydrophobicContact CB-CD1 4.37Å; Q240-I250 HydrophobicContact CB-CG1 4.07Å; Q240-I250 VanDerWaalsContact OE1-N 3.17Å
241I97.6Very high91.3Very high24 Ų2438.5 Ų38.512%0.12319%0.194CC..EExtended strand (participates in β ladder)trans-103.7121.3174-60.1164000106.7P87 V89 V265 Y375 I413P87-I241 HydrophobicContact CB-CG2 3.54Å; P87-I241 HydrophobicContact CG-CG2 3.55Å; V89-I241 HydrophobicContact CG2-CG1 4.49Å; I241-V265 HydrophobicContact CD1-CG1 3.64Å; I241-Y375 HydrophobicContact CG2-CD2 4.14Å; I241-Y375 HydrophobicContact CG2-CG 4.01Å; I241-I413 HydrophobicContact CD1-CD1 4.31Å; I241-I413 HydrophobicContact CD1-CG1 4.42Å; I241-I413 HydrophobicContact CD1-CG2 3.94Å; I241-I413 HydrophobicContact CG1-CD1 4.38Å
242H95.8Very high92.3Very high8 Ų842.1 Ų42.14%0.03721%0.208CC..EExtended strand (participates in β ladder)trans-148.2169.4-174.160.893.9000112A88 T90 E246A88-H242 PolarHBondContact N-O 3.21Å; A88-H242 PolarHBondContact O-N 2.89Å; T90-H242 PolarHBondContact OG1-NE2 2.64Å; H242-E246 PolarHBondContact CE1-O 3.2Å; H242-E246 VanDerWaalsContact CE1-O 3.31Å; H242-E246 PolarHBondContact ND1-O 3.17Å
243S94.4Very high93.2Very high16 Ų1643.9 Ų43.911%0.11222%0.215CC..  trans-69.1149.6169.7-176.30000110E245 E246S243-E245 PolarHBondContact O-N 2.91Å; S243-E246 PolarHBondContact O-N 2.96Å
244Q92.7Very high93.6Very high43 Ų4338 Ų3820%0.20119%0.194CC..THydrogen-bonded Turntrans-59.4-28.1176.9-69.979.57.400113.1F86 A88 N190 L198 E246F86-Q244 PolarHBondContact O-NE2 3.32Å; A88-Q244 HydrophobicContact CB-CG 4.27Å; N190-Q244 PolarHBondContact ND2-NE2 3.3Å; N190-Q244 WeakPolarHBondContact O-CG 3.41Å; L198-Q244 HydrophobicContact CD1-CG 4.33Å; L198-Q244 HydrophobicContact CD2-CG 3.72Å; Q244-E246 VanDerWaalsContact C-N 3.33Å
245E87.8Confident93.8Very high115 Ų11534.1 Ų34.154%0.53718%0.176SC..THydrogen-bonded Turntrans-77.7-18.2179.2-65.1175.5-177.400113.4S243 P309 T311S243-E245 PolarHBondContact O-N 2.91Å; E245-P309 HydrophobicContact CB-CG 3.9Å; E245-P309 HydrophobicContact CG-CG 3.61Å; E245-P309 WeakPolarHBondContact OE2-CG 3.19Å; E245-T311 HydrophobicContact CB-CG2 4.26Å; E245-T311 WeakPolarHBondContact O-CG2 3.47Å
246E89Confident93.9Very high43 Ų4334 Ų3420%0.20119%0.185CC..SBendtrans-97.7124.5-174.7-171.9171.3-155.400110.5H242 S243 Q244 T311 M313H242-E246 PolarHBondContact CE1-O 3.2Å; H242-E246 VanDerWaalsContact CE1-O 3.31Å; H242-E246 PolarHBondContact ND1-O 3.17Å; S243-E246 PolarHBondContact O-N 2.96Å; Q244-E246 VanDerWaalsContact C-N 3.33Å; E246-T311 HydrophobicContact CB-CG2 4.26Å; E246-M313 HydrophobicContact CG-CB 3.93Å; E246-M313 HydrophobicContact CG-CG 4.13Å; E246-M313 WeakPolarHBondContact OE1-CG 3.45Å
247P92.1Very high94Very high33 Ų3334.1 Ų34.121%0.21419%0.186CC..PPolyproline II helixtrans-70142.9175.628-32.5000111M313 L317P247-M313 HydrophobicContact CG-CB 4.39Å; P247-L317 HydrophobicContact CB-CD2 4.14Å; P247-L317 HydrophobicContact CG-CD2 4.31Å
248P94.4Very high94Very high19 Ų1936 Ų3612%0.12320%0.199CC..PPolyproline II helixtrans-73.5131.6-177.628.1-33.2000112.2T90 I179 T181 Q240T90-P248 HydrophobicContact CG2-CB 3.88Å; T90-P248 HydrophobicContact CG2-CG 4Å; I179-P248 HydrophobicContact CD1-CG 3.67Å; T181-P248 HydrophobicContact CG2-CG 4.37Å; Q240-P248 VanDerWaalsContact OE1-CA 3.22Å
249I92.8Very high94Very high22 Ų2234 Ų3411%0.11319%0.194CC..  trans-119.364.3170.5-49.6-162.4000107.8Q240 D251 Q252 L253 M313Q240-I249 VanDerWaalsContact OE1-C 3.28Å; I249-D251 VanDerWaalsContact C-N 3.29Å; I249-D251 VanDerWaalsContact CG2-OD1 3.28Å; I249-D251 WeakPolarHBondContact CG2-OD1 3.4Å; I249-D251 PolarHBondContact O-N 2.82Å; I249-Q252 HydrophobicContact CG2-CB 4.05Å; I249-Q252 HydrophobicContact CG2-CG 4Å; I249-Q252 PolarHBondContact O-N 3.43Å; I249-L253 PolarHBondContact O-N 3.16Å; I249-M313 HydrophobicContact CB-SD 4.49Å; I249-M313 HydrophobicContact CD1-CB 3.74Å; I249-M313 HydrophobicContact CD1-CG 4.02Å; I249-M313 HydrophobicContact CD1-SD 3.52Å; I249-M313 VanDerWaalsContact CD1-SD 3.52Å; I249-M313 HydrophobicContact CG1-CB 4.04Å; I249-M313 HydrophobicContact CG1-CG 4.24Å; I249-M313 HydrophobicContact CG1-SD 4.11Å
250I94.2Very high93.9Very high0 Ų034.3 Ų34.30%020%0.198CC..Hα-helixtrans-70.6-22.2-169.3-167.9167.9000113.8T90 C92 T181 M183 R238 Q240 Q252 G254T90-I250 HydrophobicContact CG2-CD1 4.23Å; T90-I250 WeakPolarHBondContact O-CD1 3.4Å; C92-I250 HydrophobicContact CB-CD1 4.05Å; C92-I250 VanDerWaalsContact SG-CD1 3.51Å; C92-I250 VanDerWaalsContact SG-CG2 3.53Å; T181-I250 HydrophobicContact CG2-CG2 3.98Å; M183-I250 HydrophobicContact CG-CG2 4.24Å; M183-I250 HydrophobicContact SD-CG1 4.35Å; M183-I250 HydrophobicContact SD-CG2 3.79Å; R238-I250 HydrophobicContact CB-CD1 4Å; R238-I250 HydrophobicContact CB-CG1 3.83Å; R238-I250 WeakPolarHBondContact O-CD1 3.31Å; Q240-I250 HydrophobicContact CB-CB 4.28Å; Q240-I250 HydrophobicContact CB-CD1 4.37Å; Q240-I250 HydrophobicContact CB-CG1 4.07Å; Q240-I250 VanDerWaalsContact OE1-N 3.17Å; I250-Q252 VanDerWaalsContact C-N 3.26Å; I250-Q252 PolarHBondContact O-N 2.84Å; I250-G254 VanDerWaalsContact O-CA 3.32Å; I250-G254 WeakPolarHBondContact O-CA 3.43Å; I250-G254 PolarHBondContact O-N 2.76Å; I250-G254 VanDerWaalsContact O-N 3.09Å
251D89.9Confident93.9Very high40 Ų4038.9 Ų38.921%0.21422%0.215CC..Hα-helixtrans-64.4-31.5172.959.6-52.9000112R182 M183 R238 I249R182-D251 HydrophobicContact CB-CB 4.29Å; R182-D251 WeakPolarHBondContact CD-OD2 3.38Å; R182-D251 IonicContact NE-OD2 3.03Å; R182-D251 IonicContact NH1-OD2 2.76Å; M183-D251 HydrophobicContact CG-CB 4.38Å; R238-D251 PolarHBondContact NH1-O 3.31Å; I249-D251 VanDerWaalsContact C-N 3.29Å; I249-D251 VanDerWaalsContact CG2-OD1 3.28Å; I249-D251 WeakPolarHBondContact CG2-OD1 3.4Å; I249-D251 PolarHBondContact O-N 2.82Å
252Q88.8Confident93.9Very high109 Ų10940.1 Ų40.151%0.50922%0.221SC..Hα-helixtrans-103.1-40.6-178.7-60.7-178.47.600113.5I249 I250I249-Q252 HydrophobicContact CG2-CB 4.05Å; I249-Q252 HydrophobicContact CG2-CG 4Å; I249-Q252 PolarHBondContact O-N 3.43Å; I250-Q252 VanDerWaalsContact C-N 3.26Å; I250-Q252 PolarHBondContact O-N 2.84Å
253L91Very high94Very high86 Ų8639.8 Ų39.845%0.4522%0.219SC..Hα-helixtrans-109.1-3.1-170.7-60.3179.1000113.7I249 M313I249-L253 PolarHBondContact O-N 3.16Å; L253-M313 HydrophobicContact CD1-CG 4.43Å; L253-M313 HydrophobicContact CD1-SD 3.91Å
254G93.5Very high94.2Very high17 Ų1740.3 Ų40.318%0.17522%0.219CC..PPolyproline II helixtrans-73139179.200000112.7V239 I250V239-G254 CarbonylContact O-C 3.59Å; V239-G254 VanDerWaalsContact O-CA 3.28Å; V239-G254 WeakPolarHBondContact O-CA 3.28Å; I250-G254 VanDerWaalsContact O-CA 3.32Å; I250-G254 WeakPolarHBondContact O-CA 3.43Å; I250-G254 PolarHBondContact O-N 2.76Å; I250-G254 VanDerWaalsContact O-N 3.09Å
255L95.7Very high94.5Very high18 Ų1838.3 Ų38.39%0.09421%0.21CC..EExtended strand (participates in β ladder)trans-85.1141.3168.169.993.9000109.9R238 V239 V257 K377 L379R238-L255 CarbonylContact C-O 3.4Å; R238-L255 WeakPolarHBondContact CA-O 3.45Å; V239-L255 HydrophobicContact CB-CD1 4.25Å; V239-L255 HydrophobicContact CB-CG 4.18Å; V239-L255 PolarHBondContact N-O 3.49Å; V239-L255 WeakPolarHBondContact O-CG 3.35Å; V239-L255 PolarHBondContact O-N 2.55Å; L255-V257 HydrophobicContact CD1-CG2 3.41Å; L255-V257 VanDerWaalsContact CD1-CG2 3.41Å; L255-K377 HydrophobicContact CD2-CD 3.82Å; L255-L379 HydrophobicContact CD1-CD2 4.03Å; L255-L379 HydrophobicContact CD2-CD2 4.45Å
256G96.4Very high94.9Very high48 Ų4833.7 Ų33.750%0.49519%0.19SC..EExtended strand (participates in β ladder)trans-81.9136.717400000111.9
257V97.8Very high95.2Very high3 Ų331.8 Ų31.82%0.01818%0.182CC..EExtended strand (participates in β ladder)trans-121.3123.2173.9-175.40000108.7G236 I237 V239 L255 L409 L411G236-V257 VanDerWaalsContact CA-O 3.31Å; G236-V257 WeakPolarHBondContact CA-O 3.28Å; I237-V257 HydrophobicContact CD1-CB 4.33Å; I237-V257 HydrophobicContact CG1-CB 3.77Å; I237-V257 HydrophobicContact CG1-CG2 4.33Å; I237-V257 PolarHBondContact N-O 2.95Å; I237-V257 VanDerWaalsContact N-O 3.12Å; I237-V257 PolarHBondContact O-N 2.7Å; V239-V257 HydrophobicContact CB-CG2 4.45Å; V239-V257 HydrophobicContact CG2-CG2 3.8Å; L255-V257 HydrophobicContact CD1-CG2 3.41Å; L255-V257 VanDerWaalsContact CD1-CG2 3.41Å; V257-L409 HydrophobicContact CG1-CD1 3.97Å; V257-L409 HydrophobicContact CG1-CD2 4.29Å; V257-L411 HydrophobicContact CG1-CD1 4.46Å; V257-L411 HydrophobicContact CG2-CD1 4.06Å
258S96.8Very high95.3Very high40 Ų4032.4 Ų32.428%0.2818%0.182SC..  trans-93.5145.7-17452.90000112.7Y261 L409S258-Y261 WeakPolarHBondContact OG-CD2 3.37Å; S258-L409 WeakPolarHBondContact O-CB 3.5Å
259P97.5Very high95.3Very high20 Ų2032.3 Ų32.313%0.1318%0.18CC..THydrogen-bonded Turntrans-68.5156.616833.2-36.2000112.6V216 V235 Y261 E406V216-P259 HydrophobicContact CG2-CB 4.37Å; V216-P259 HydrophobicContact CG2-CG 4.39Å; V235-P259 HydrophobicContact CG1-CG 3.88Å; P259-Y261 VanDerWaalsContact C-N 3.25Å; P259-Y261 WeakPolarHBondContact O-CD2 3.18Å; P259-E406 WeakPolarHBondContact CB-O 3.32Å; P259-E406 WeakPolarHBondContact CG-O 3.42Å
260G96.9Very high95.3Very high8 Ų833.5 Ų33.58%0.08219%0.185CC..THydrogen-bonded Turntrans79.94.8-173.600000114.1I384 A405 V408G260-I384 CarbonylContact C-O 3.52Å; G260-I384 VanDerWaalsContact C-O 3.29Å; G260-I384 WeakPolarHBondContact CA-O 3.19Å; G260-I384 PolarHBondContact O-N 3.15Å; G260-A405 VanDerWaalsContact CA-O 3.28Å; G260-A405 WeakPolarHBondContact CA-O 3.22Å; G260-A405 PolarHBondContact N-O 2.95Å; G260-V408 PolarHBondContact N-O 3.46Å
261Y97.8Very high95.3Very high104 Ų10437.3 Ų37.341%0.40820%0.202SC..EExtended strand (participates in β ladder)trans-130.2150.4178.4-63.7-88.9000112.2S258 P259 M381 V382 R383 A410S258-Y261 WeakPolarHBondContact OG-CD2 3.37Å; P259-Y261 VanDerWaalsContact C-N 3.25Å; P259-Y261 WeakPolarHBondContact O-CD2 3.18Å; Y261-M381 HydrophobicContact CD1-CB 4.42Å; Y261-V382 CarbonylContact C-O 3.55Å; Y261-V382 VanDerWaalsContact CA-O 3.23Å; Y261-V382 WeakPolarHBondContact CA-O 3.47Å; Y261-R383 HydrophobicContact CE1-CB 4.44Å; Y261-A410 PolarHBondContact O-N 2.92Å
262Q97.7Very high95.5Very high51 Ų5136.3 Ų36.324%0.23820%0.197CC..EExtended strand (participates in β ladder)trans-100.4116161.5179.2171.54.200107.1F264 M381 V382 A410 D412Q262-F264 HydrophobicContact CG-CE1 4.1Å; Q262-F264 HydrophobicContact CG-CE2 4.24Å; Q262-F264 HydrophobicContact CG-CZ 3.79Å; Q262-M381 WeakPolarHBondContact O-CA 3.34Å; Q262-V382 HydrophobicContact CB-CG2 3.82Å; Q262-V382 HydrophobicContact CG-CG2 4.45Å; Q262-V382 PolarHBondContact N-O 2.86Å; Q262-V382 PolarHBondContact O-N 3.4Å; Q262-A410 CarbonylContact C-O 3.54Å; Q262-A410 VanDerWaalsContact CA-O 3.29Å; Q262-A410 WeakPolarHBondContact CA-O 3.43Å; Q262-A410 HydrophobicContact CB-CB 3.88Å; Q262-A410 HydrophobicContact CG-CB 3.77Å; Q262-D412 WeakPolarHBondContact CG-OD2 3.47Å; Q262-D412 PolarHBondContact NE2-OD2 3.01Å
263T98.1Very high95.7Very high0 Ų033.4 Ų33.40%019%0.189CC..EExtended strand (participates in β ladder)trans-101.7122.2-178.4-59.80000109.6V265 S380 M381 A410 L411 D412T263-V265 HydrophobicContact CG2-CG2 4.07Å; T263-S380 WeakPolarHBondContact CA-O 3.48Å; T263-M381 HydrophobicContact CG2-CE 3.93Å; T263-M381 HydrophobicContact CG2-CG 4.08Å; T263-A410 PolarHBondContact N-O 2.96Å; T263-L411 HydrophobicContact CG2-CD1 4.24Å; T263-L411 WeakPolarHBondContact O-CA 3.21Å; T263-D412 PolarHBondContact O-N 3.15Å
264F97.8Very high95.9Very high28 Ų2832.3 Ų32.312%0.12318%0.181CC..EExtended strand (participates in β ladder)trans-97.5124.5173-53.2-82.4000109Q262 L379 S380 V382 D412 F414Q262-F264 HydrophobicContact CG-CE1 4.1Å; Q262-F264 HydrophobicContact CG-CE2 4.24Å; Q262-F264 HydrophobicContact CG-CZ 3.79Å; F264-L379 WeakPolarHBondContact O-CA 3.39Å; F264-S380 WeakPolarHBondContact CB-OG 3.38Å; F264-S380 PolarHBondContact N-O 2.91Å; F264-S380 PolarHBondContact O-N 3.01Å; F264-V382 HydrophobicContact CE2-CB 4.44Å; F264-V382 HydrophobicContact CE2-CG1 4.05Å; F264-V382 HydrophobicContact CE2-CG2 3.67Å; F264-V382 HydrophobicContact CZ-CG2 4.11Å; F264-D412 HydrophobicContact CD1-CB 3.74Å; F264-D412 WeakPolarHBondContact CD1-OD2 3.32Å; F264-D412 HydrophobicContact CE1-CB 4.31Å; F264-D412 VanDerWaalsContact CE1-OD2 3.29Å; F264-D412 WeakPolarHBondContact CE1-OD2 3.39Å; F264-F414 HydrophobicContact CB-CE1 4.08Å; F264-F414 HydrophobicContact CD1-CE1 4.33Å
265V97.9Very high95.8Very high1 Ų132.8 Ų32.81%0.00618%0.179CC..EExtended strand (participates in β ladder)trans-114.896.7176.7-170.30000108I241 T263 K377 E378 L411 D412 I413 F414I241-V265 HydrophobicContact CD1-CG1 3.64Å; T263-V265 HydrophobicContact CG2-CG2 4.07Å; V265-K377 HydrophobicContact CG1-CB 4.01Å; V265-E378 WeakPolarHBondContact CA-O 3.27Å; V265-L411 HydrophobicContact CG2-CD1 3.78Å; V265-D412 PolarHBondContact N-O 3.41Å; V265-I413 HydrophobicContact CB-CG1 4.08Å; V265-I413 HydrophobicContact CG2-CG1 4.33Å; V265-F414 PolarHBondContact O-N 3.07Å
266S96.3Very high95.6Very high17 Ų1734.8 Ų34.812%0.11919%0.193CC..EExtended strand (participates in β ladder)trans-78122.3173.1-168.60000108.7K377 E378 E416S266-K377 CarbonylContact O-C 3.57Å; S266-K377 WeakPolarHBondContact O-CA 3.35Å; S266-E378 PolarHBondContact N-O 3.03Å; S266-E378 PolarHBondContact O-N 3.4Å; S266-E416 WeakPolarHBondContact OG-CB 3.24Å
267C95.8Very high95.4Very high3 Ų336.5 Ų36.52%0.0220%0.195CC..EExtended strand (participates in β ladder)trans-109.3147.3-176.6-610000111.3A376 F414 F415 E416C267-A376 CarbonylContact C-O 3.52Å; C267-A376 VanDerWaalsContact CA-O 3.29Å; C267-A376 WeakPolarHBondContact CA-O 3.27Å; C267-F414 WeakPolarHBondContact CB-O 3.5Å; C267-F414 PolarHBondContact N-O 3.45Å; C267-F415 HydrophobicContact CB-CD1 4.03Å; C267-F415 HydrophobicContact CB-CE1 4.29Å; C267-F415 VanDerWaalsContact O-CA 3.29Å; C267-F415 WeakPolarHBondContact O-CA 3.33Å; C267-F415 WeakPolarHBondContact O-CD1 3.21Å; C267-E416 PolarHBondContact O-N 2.91Å; C267-E416 VanDerWaalsContact O-N 3.1Å
268Q94.1Very high95.1Very high47 Ų4739.7 Ų39.722%0.2222%0.216CC..EExtended strand (participates in β ladder)trans-131.4127.5167.8-169.3179.827.500109.1Y375 A376Q268-Y375 CarbonylContact O-C 3.58Å; Q268-Y375 WeakPolarHBondContact O-CA 3.33Å; Q268-A376 HydrophobicContact CB-CB 4.36Å; Q268-A376 PolarHBondContact N-O 2.92Å; Q268-A376 PolarHBondContact O-N 3.48Å
269Q93.9Very high94.8Very high17 Ų1740.1 Ų40.18%0.07921%0.212CC..EExtended strand (participates in β ladder)trans-76.8131.6178.6-176.4178.6-8.900110T373 Y375 F415 Y420 E421Q269-T373 HydrophobicContact CG-CG2 3.85Å; Q269-Y375 HydrophobicContact CB-CD1 4.25Å; Q269-Y375 HydrophobicContact CB-CE1 4.06Å; Q269-Y375 HydrophobicContact CG-CD1 4.46Å; Q269-Y375 HydrophobicContact CG-CE1 3.97Å; Q269-F415 HydrophobicContact CB-CE1 4.09Å; Q269-Y420 WeakPolarHBondContact O-CA 3.32Å; Q269-E421 PolarHBondContact O-N 3.12Å
270Q94.4Very high94.4Very high46 Ų4639.7 Ų39.722%0.21521%0.211CC..EExtended strand (participates in β ladder)trans-120.7125.2175.5-61.5-176.1-44.800109.9T373 R374 A376 E421Q270-T373 CarbonylContact O-C 3.26Å; Q270-T373 WeakPolarHBondContact O-CA 3.42Å; Q270-R374 HydrophobicContact CB-CB 4.46Å; Q270-R374 PolarHBondContact N-O 3.39Å; Q270-R374 PolarHBondContact O-N 2.87Å; Q270-A376 HydrophobicContact CG-CB 4.32Å; Q270-E421 CarbonylContact C-O 3.54Å; Q270-E421 VanDerWaalsContact CA-O 3.28Å; Q270-E421 WeakPolarHBondContact CA-O 3.47Å; Q270-E421 HydrophobicContact CG-CB 4.23Å; Q270-E421 PolarHBondContact NE2-OE2 3.35Å
271Q94Very high93.9Very high80 Ų8046.1 Ų46.137%0.37424%0.243SC..EExtended strand (participates in β ladder)trans-101.1115.9171-67.4-175.64.800109.1Y420 E421 T422 V423Q271-Y420 HydrophobicContact CG-CD2 4.3Å; Q271-E421 PolarHBondContact N-O 2.85Å; Q271-T422 HydrophobicContact CB-CG2 4.33Å; Q271-T422 WeakPolarHBondContact O-CA 3.38Å; Q271-V423 PolarHBondContact O-N 3.17Å
272L93.2Very high93.5Very high20 Ų2041.4 Ų41.411%0.10523%0.226CC..EExtended strand (participates in β ladder)trans-101.2125.5-179.1-52.6178000109.4F274 A371 S372 R374 V423L272-F274 HydrophobicContact CB-CD2 4.46Å; L272-F274 HydrophobicContact CB-CE2 3.64Å; L272-F274 HydrophobicContact CB-CZ 3.89Å; L272-F274 HydrophobicContact CD1-CE2 4.23Å; L272-F274 HydrophobicContact CD1-CZ 4.09Å; L272-F274 HydrophobicContact CG-CZ 4.5Å; L272-A371 WeakPolarHBondContact O-CA 3.25Å; L272-S372 PolarHBondContact N-O 3.39Å; L272-S372 PolarHBondContact O-N 3.25Å; L272-R374 HydrophobicContact CD1-CB 4.46Å; L272-R374 HydrophobicContact CD1-CG 3.79Å; L272-V423 WeakPolarHBondContact CA-O 3.3Å; L272-V423 HydrophobicContact CD2-CB 3.62Å; L272-V423 HydrophobicContact CD2-CG1 4.34Å; L272-V423 HydrophobicContact CD2-CG2 3.66Å
273S94.2Very high92.8Very high48 Ų4840.6 Ų40.634%0.33623%0.225SC..EExtended strand (participates in β ladder)trans-122.5121.4174.4-178.90000109.8C370 V423 E424 Q425S273-C370 CarbonylContact C-O 3.53Å; S273-C370 WeakPolarHBondContact CA-O 3.36Å; S273-V423 PolarHBondContact N-O 3.47Å; S273-E424 WeakPolarHBondContact O-CA 3.43Å; S273-Q425 PolarHBondContact O-N 3.27Å
274F93.4Very high91.3Very high63 Ų6345.7 Ų45.728%0.27626%0.261SS..  trans-115.2154.8-176.9-59-75.8000111L272 C282 P369 C370 Q425L272-F274 HydrophobicContact CB-CD2 4.46Å; L272-F274 HydrophobicContact CB-CE2 3.64Å; L272-F274 HydrophobicContact CB-CZ 3.89Å; L272-F274 HydrophobicContact CD1-CE2 4.23Å; L272-F274 HydrophobicContact CD1-CZ 4.09Å; L272-F274 HydrophobicContact CG-CZ 4.5Å; F274-C282 HydrophobicContact CB-CB 3.78Å; F274-C282 PolarHBondContact O-SG 2.93Å; F274-P369 WeakPolarHBondContact CD2-O 3.35Å; F274-C370 PolarHBondContact N-O 3.05Å; F274-Q425 HydrophobicContact CD1-CG 4.19Å
275L92.3Very high89.5Confident26 Ų2647.2 Ų47.214%0.13628%0.279CS..PPolyproline II helixtrans-90.5142.4177.7-69.4172.9000112.1H72 W279 G280 C282 Q425 K427H72-L275 HydrophobicContact CB-CD1 3.95Å; L275-W279 HydrophobicContact CB-CB 3.94Å; L275-W279 HydrophobicContact CD1-CB 3.89Å; L275-W279 HydrophobicContact CD1-CG 4.49Å; L275-G280 CarbonylContact O-C 3.51Å; L275-G280 VanDerWaalsContact O-C 3.25Å; L275-G280 VanDerWaalsContact O-CA 3.23Å; L275-G280 WeakPolarHBondContact O-CA 3.45Å; L275-C282 PolarHBondContact O-SG 2.99Å; L275-Q425 HydrophobicContact CB-CB 4.49Å; L275-Q425 HydrophobicContact CD1-CB 4.13Å; L275-Q425 HydrophobicContact CG-CB 3.88Å; L275-Q425 VanDerWaalsContact CG-O 3.27Å; L275-Q425 WeakPolarHBondContact CG-O 3.36Å; L275-Q425 VanDerWaalsContact N-OE1 3.11Å; L275-K427 HydrophobicContact CD1-CG 3.99Å
276P92.3Very high87.5Confident60 Ų6051 Ų5139%0.3931%0.305SS..PPolyproline II helixtrans-75.7167.6174.631.6-35.5000111.6W279 G280 C282P276-W279 PolarHBondContact O-N 2.72Å; P276-W279 VanDerWaalsContact O-N 3.1Å; P276-G280 CarbonylContact C-O 3.57Å; P276-G280 VanDerWaalsContact C-O 3.27Å; P276-G280 PolarHBondContact O-N 3.48Å; P276-C282 VanDerWaalsContact CA-SG 3.57Å
277P90.8Very high85.3Confident84 Ų8453.1 Ų53.155%0.54532%0.315SS..THydrogen-bonded Turntrans-56140.9172.7-25.733.1000111.6G280 C282P277-G280 WeakPolarHBondContact CA-O 3.39Å; P277-G280 VanDerWaalsContact CD-O 3.26Å; P277-G280 WeakPolarHBondContact CD-O 3.42Å; P277-G280 WeakPolarHBondContact CG-O 3.35Å; P277-C282 VanDerWaalsContact CD-O 3.29Å; P277-C282 WeakPolarHBondContact CD-O 3.46Å
278P92.3Very high82.8Confident71 Ų7158.3 Ų58.346%0.46134%0.343SS..THydrogen-bonded Turncis-88.2-0.37.935.2-39000116.3F70F70-P278 HydrophobicContact CD1-CB 4.24Å; F70-P278 HydrophobicContact CD1-CG 3.65Å; F70-P278 HydrophobicContact CD2-CB 3.92Å; F70-P278 HydrophobicContact CD2-CG 4.19Å; F70-P278 HydrophobicContact CE1-CB 4.36Å; F70-P278 HydrophobicContact CE1-CG 3.59Å; F70-P278 HydrophobicContact CE2-CB 4.05Å; F70-P278 HydrophobicContact CE2-CG 4.15Å; F70-P278 HydrophobicContact CG-CB 4.01Å; F70-P278 HydrophobicContact CG-CG 3.95Å; F70-P278 HydrophobicContact CZ-CB 4.27Å; F70-P278 HydrophobicContact CZ-CG 3.86Å
279W90.4Very high80.4Confident49 Ų4958.7 Ų58.719%0.18635%0.349CS..THydrogen-bonded Turntrans-83.5-25.8-176.2-67.3-85.7000113.6F70 H72 L275 P276 K427F70-W279 HydrophobicContact CB-CG 4.32Å; F70-W279 HydrophobicContact CD1-CD2 4.37Å; F70-W279 AromaticContact CD1-CE2 3.82Å; F70-W279 HydrophobicContact CD1-CZ2 4.14Å; F70-W279 AromaticContact CD1-NE1 3.7Å; F70-W279 HydrophobicContact CE1-CZ2 4.37Å; H72-W279 PolarHBondContact CE1-O 2.79Å; H72-W279 PolarHBondContact ND1-O 3.47Å; L275-W279 HydrophobicContact CB-CB 3.94Å; L275-W279 HydrophobicContact CD1-CB 3.89Å; L275-W279 HydrophobicContact CD1-CG 4.49Å; P276-W279 PolarHBondContact O-N 2.72Å; P276-W279 VanDerWaalsContact O-N 3.1Å; W279-K427 HydrophobicContact CD2-CD 4.22Å; W279-K427 HydrophobicContact CD2-CG 4.34Å; W279-K427 HydrophobicContact CG-CG 4.21Å; W279-K427 HydrophobicContact CZ2-CD 4.05Å
280G89.3Confident77.9Confident11 Ų1162.9 Ų62.911%0.11337%0.372CS..SBendtrans-155.5-170.3176.300000111.5L275 P276 P277L275-G280 CarbonylContact O-C 3.51Å; L275-G280 VanDerWaalsContact O-C 3.25Å; L275-G280 VanDerWaalsContact O-CA 3.23Å; L275-G280 WeakPolarHBondContact O-CA 3.45Å; P276-G280 CarbonylContact C-O 3.57Å; P276-G280 VanDerWaalsContact C-O 3.27Å; P276-G280 PolarHBondContact O-N 3.48Å; P277-G280 WeakPolarHBondContact CA-O 3.39Å; P277-G280 VanDerWaalsContact CD-O 3.26Å; P277-G280 WeakPolarHBondContact CD-O 3.42Å; P277-G280 WeakPolarHBondContact CG-O 3.35Å
281D87.1Confident75.4Confident142 Ų14267.4 Ų67.476%0.75939%0.388SS*.  trans-117.534.3-170.4-64.7-39000113
282C89.3Confident72.5Confident6 Ų671.2 Ų71.24%0.04141%0.406CS..EExtended strand (participates in β ladder)trans-96.5155.4177.683.70000113.5F274 L275 P276 P277 N368 C370F274-C282 HydrophobicContact CB-CB 3.78Å; F274-C282 PolarHBondContact O-SG 2.93Å; L275-C282 PolarHBondContact O-SG 2.99Å; P276-C282 VanDerWaalsContact CA-SG 3.57Å; P277-C282 VanDerWaalsContact CD-O 3.29Å; P277-C282 WeakPolarHBondContact CD-O 3.46Å; C282-N368 CarbonylContact C-O 3.47Å; C282-N368 WeakPolarHBondContact CA-O 3.22Å; C282-N368 WeakPolarHBondContact CB-O 3.29Å; C282-C370 HydrophobicContact CB-CB 3.89Å; C282-C370 WeakPolarHBondContact CB-SG 3.33Å; C282-C370 WeakPolarHBondContact SG-CA 3.35Å; C282-C370 WeakPolarHBondContact SG-CB 3.4Å; C282-C370 CovalentContact SG-SG 2.04Å; C282-C370 PolarHBondContact SG-SG 3.28Å
283S81.6Confident69.7Low33 Ų3374.8 Ų74.823%0.23143%0.43CS..EExtended strand (participates in β ladder)trans-122.9136.5171.8-176.90000110.7A285 N368 C370S283-A285 PolarHBondContact OG-N 3.2Å; S283-N368 PolarHBondContact N-O 2.96Å; S283-C370 PolarHBondContact O-N 2.83Å
284S67.4Low66.6Low108 Ų10879.1 Ų79.176%0.75545%0.445SS*.  trans-97.8-0.5171.357.60000112.7S286S284-S286 PolarHBondContact O-N 3.32Å
285A59.4Low63.7Low60 Ų6081.2 Ų81.250%0.49647%0.465SS..  trans-68.5117.6-177.900000110.3S283 L287S283-A285 PolarHBondContact OG-N 3.2Å; A285-L287 PolarHBondContact O-N 2.75Å
286S55.5Low60.9Low79 Ų7984.8 Ų84.855%0.55249%0.492SS*.  trans-55.4126.3163.254.30000108.5S284 N288S284-S286 PolarHBondContact O-N 3.32Å; S286-N288 PolarHBondContact O-N 2.7Å
287L50.1Low58.2Low62 Ų6288.3 Ų88.333%0.32551%0.508SS..  trans-61105.3169.8-95.4166.4000108.9A285 P289 Y310 C315A285-L287 PolarHBondContact O-N 2.75Å; L287-P289 VanDerWaalsContact C-CD 3.49Å; L287-P289 HydrophobicContact CB-CG 3.95Å; L287-P289 HydrophobicContact CD1-CG 4.47Å; L287-P289 HydrophobicContact CD2-CB 3.67Å; L287-P289 HydrophobicContact CD2-CG 3.68Å; L287-P289 HydrophobicContact CG-CG 4.24Å; L287-P289 WeakPolarHBondContact O-CD 3.49Å; L287-Y310 HydrophobicContact CB-CD2 3.97Å; L287-Y310 HydrophobicContact CB-CE2 4.45Å; L287-Y310 HydrophobicContact CD1-CD2 3.57Å; L287-Y310 HydrophobicContact CD1-CE2 3.36Å; L287-Y310 HydrophobicContact CG-CD2 3.6Å; L287-Y310 HydrophobicContact CG-CE2 3.58Å; L287-C315 VanDerWaalsContact CD1-CA 3.46Å; L287-C315 HydrophobicContact CD1-CB 3.45Å; L287-C315 VanDerWaalsContact CD1-CB 3.45Å
288N43.3Very low56.2Low113 Ų11390.1 Ų90.160%0.60452%0.52SS*.  -89.495.3129.3-96.7-27.6000106.3S286 N290S286-N288 PolarHBondContact O-N 2.7Å; N288-N290 PolarHBondContact O-N 2.89Å; N288-N290 VanDerWaalsContact O-N 3.17Å
289P43.9Very low54Low54 Ų5495 Ų9535%0.35154%0.541SS..THydrogen-bonded Turntrans-67.7-10.6178-3.917.2000112.8L287 R322L287-P289 VanDerWaalsContact C-CD 3.49Å; L287-P289 HydrophobicContact CB-CG 3.95Å; L287-P289 HydrophobicContact CD1-CG 4.47Å; L287-P289 HydrophobicContact CD2-CB 3.67Å; L287-P289 HydrophobicContact CD2-CG 3.68Å; L287-P289 HydrophobicContact CG-CG 4.24Å; L287-P289 WeakPolarHBondContact O-CD 3.49Å; P289-R322 PolarHBondContact O-NH1 3.11Å
290N41.2Very low51.3Low106 Ų10695.7 Ų95.757%0.56756%0.564SS**THydrogen-bonded Turntrans-13378169.7-72.7-9.5000109.6N288 R322N288-N290 PolarHBondContact O-N 2.89Å; N288-N290 VanDerWaalsContact O-N 3.17Å; N290-R322 PolarHBondContact OD1-NH1 3.17Å
291Y41.5Very low48.6Very low140 Ų140100.5 Ų100.555%0.54960%0.596SS.*  trans-112.282.1141.3-153.7-109.2000106.9P293 E294Y291-P293 HydrophobicContact CD1-CB 3.95Å; Y291-P293 HydrophobicContact CD1-CG 3.91Å; Y291-P293 HydrophobicContact CE1-CB 3.41Å; Y291-P293 VanDerWaalsContact CE1-CB 3.41Å; Y291-P293 HydrophobicContact CE1-CG 3.82Å; Y291-E294 PolarHBondContact OH-O 3.3Å; Y291-E294 VanDerWaalsContact OH-O 3.11Å
292E34Very low46.3Very low160 Ų16099.7 Ų99.775%0.74860%0.598SS**SBend-56.7130.9125.1-71.1-171.6155.800104.5E294E292-E294 PolarHBondContact O-N 3.25Å
293P33.5Very low43.7Very low95 Ų95104.1 Ų104.162%0.61763%0.629SS**  trans-59.293.3164.5-1326.6000107.3Y291 P295Y291-P293 HydrophobicContact CD1-CB 3.95Å; Y291-P293 HydrophobicContact CD1-CG 3.91Å; Y291-P293 HydrophobicContact CE1-CB 3.41Å; Y291-P293 VanDerWaalsContact CE1-CB 3.41Å; Y291-P293 HydrophobicContact CE1-CG 3.82Å; P293-P295 WeakPolarHBondContact O-CD 3.18Å; P293-P295 VanDerWaalsContact O-N 3.08Å
294E29.1Very low41.6Very low139 Ų139108.9 Ų108.965%0.6566%0.66SS**  trans-49.2116.5144.8-77.9-66.9143.100103.6Y291 E292 S296Y291-E294 PolarHBondContact OH-O 3.3Å; Y291-E294 VanDerWaalsContact OH-O 3.11Å; E292-E294 PolarHBondContact O-N 3.25Å; E294-S296 PolarHBondContact O-N 2.77Å
295P32.6Very low40.2Very low107 Ų107108.1 Ų108.170%0.69565%0.654SS**  trans-52.3120.6178.121-29.2000104.8P293 D297P293-P295 WeakPolarHBondContact O-CD 3.18Å; P293-P295 VanDerWaalsContact O-N 3.08Å; P295-D297 VanDerWaalsContact C-N 3.27Å; P295-D297 PolarHBondContact O-N 2.95Å
296S33.6Very low39.7Very low101 Ų101111.2 Ų111.271%0.70667%0.669SS**  trans-53.3101.1-178.646.60000106.8E294 P298E294-S296 PolarHBondContact O-N 2.77Å; S296-P298 WeakPolarHBondContact O-CD 2.99Å
297D35.8Very low39.6Very low134 Ų134110.9 Ų110.972%0.71767%0.667SS**  trans-59.3121.7172.6-129.6-17.4000104P295 L299 G300P295-D297 VanDerWaalsContact C-N 3.27Å; P295-D297 PolarHBondContact O-N 2.95Å; D297-L299 PolarHBondContact O-N 3.48Å; D297-G300 PolarHBondContact O-N 3.14Å
298P48.6Very low40.3Very low123 Ų123113.1 Ų113.180%0.79969%0.685SS**THydrogen-bonded Turntrans-669.5-172.314.6-18000113.6S296S296-P298 WeakPolarHBondContact O-CD 2.99Å
299L46.9Very low41.8Very low172 Ų172110.9 Ų110.990%0.90168%0.676SS**THydrogen-bonded Turntrans-143.948.6-175.2-142.176.2000112.5D297D297-L299 PolarHBondContact O-N 3.48Å
300G34.2Very low43.7Very low65 Ų65109.8 Ų109.867%0.6767%0.666SS**  trans-118.2113.2175.300000112.6D297D297-G300 PolarHBondContact O-N 3.14Å
301S32.1Very low45.9Very low112 Ų112105.7 Ų105.778%0.78364%0.644SS**PPolyproline II helixtrans-54146.5176.637.80000114.2S303S301-S303 PolarHBondContact O-N 2.9Å
302P38.7Very low48.1Very low125 Ų125100 Ų10081%0.81262%0.623SS**PPolyproline II helixtrans-63.6126.1178.325.6-31.6000110.5
303S33.8Very low50.8Low99 Ų9992.9 Ų92.969%0.69259%0.59SS**PPolyproline II helixtrans-63.2138.9167.549.20000109.6S301 S305S301-S303 PolarHBondContact O-N 2.9Å; S303-S305 PolarHBondContact O-N 2.92Å
304P38.2Very low53.4Low133 Ų13389.3 Ų89.386%0.86457%0.571SS**SBendtrans-92.915.5-167.824.3-12.1000115.4
305S38.6Very low56.3Low91 Ų9183.1 Ų83.164%0.63654%0.543SS*.  trans-109.7119177.449.30000111.8S303 S307S303-S305 PolarHBondContact O-N 2.92Å; S305-S307 PolarHBondContact O-N 3.36Å
306P47.8Very low59Low126 Ų12683.6 Ų83.682%0.81853%0.531SS*.PPolyproline II helixtrans-63.9118.3165.724.7-27.8000107.9
307S54.4Low61.6Low72 Ų7280.2 Ų80.250%0.50351%0.505SS..PPolyproline II helixtrans-56.4134.7172.152.40000109.3S305S305-S307 PolarHBondContact O-N 3.36Å
308P64.5Low64.2Low108 Ų10875.3 Ų75.370%0.70148%0.483SS*.PPolyproline II helixtrans-58.7151.1179.124.7-33.3000110.8
309P75.3Confident66.1Low66 Ų6670.3 Ų70.343%0.42945%0.45SS..PPolyproline II helixtrans-59.6152178.224.5-32.1000111.6E245 T311E245-P309 HydrophobicContact CB-CG 3.9Å; E245-P309 HydrophobicContact CG-CG 3.61Å; E245-P309 WeakPolarHBondContact OE2-CG 3.19Å; P309-T311 PolarHBondContact O-N 3.33Å
310Y83.4Confident68.2Low32 Ų3263 Ų6313%0.12541%0.412CS..PPolyproline II helixtrans-66.9123.4-177.5176.4-98.3000111.5L287 C315 P367 P369L287-Y310 HydrophobicContact CB-CD2 3.97Å; L287-Y310 HydrophobicContact CB-CE2 4.45Å; L287-Y310 HydrophobicContact CD1-CD2 3.57Å; L287-Y310 HydrophobicContact CD1-CE2 3.36Å; L287-Y310 HydrophobicContact CG-CD2 3.6Å; L287-Y310 HydrophobicContact CG-CE2 3.58Å; Y310-C315 HydrophobicContact CE2-CB 3.66Å; Y310-P367 WeakPolarHBondContact OH-CD 3.48Å; Y310-P367 PolarHBondContact OH-O 3.48Å; Y310-P369 HydrophobicContact CD1-CB 3.89Å; Y310-P369 HydrophobicContact CE1-CB 4.06Å
311T88.4Confident71Confident19 Ų1960.7 Ų60.712%0.11739%0.385CS..  trans-125.7151.4170.362.90000110.3E245 E246 P309 M313 G314 C315E245-T311 HydrophobicContact CB-CG2 4.26Å; E245-T311 WeakPolarHBondContact O-CG2 3.47Å; E246-T311 HydrophobicContact CB-CG2 4.26Å; P309-T311 PolarHBondContact O-N 3.33Å; T311-M313 VanDerWaalsContact C-N 3.34Å; T311-M313 PolarHBondContact O-N 2.85Å; T311-G314 PolarHBondContact O-N 3.4Å; T311-G314 PolarHBondContact OG1-N 3.49Å; T311-G314 VanDerWaalsContact OG1-N 3.12Å; T311-C315 PolarHBondContact O-N 3.27Å
312L87.5Confident73.7Confident20 Ų2059.3 Ų59.311%0.10536%0.362CS..Hα-helixtrans-61.5-44.6-179.7-176.565.1000111.2C315 R316 C366L312-C315 WeakPolarHBondContact O-CB 3.44Å; L312-C315 PolarHBondContact O-N 2.79Å; L312-R316 WeakPolarHBondContact O-CG 3.27Å; L312-R316 PolarHBondContact O-N 2.94Å; L312-R316 VanDerWaalsContact O-N 3.16Å; L312-C366 HydrophobicContact CD1-CB 3.9Å
313M89.3Confident76.2Confident11 Ų1156.1 Ų56.15%0.05433%0.334CS..Hα-helixtrans-68.3-37.6178-63.8-56.699.700111.8E246 P247 I249 L253 T311 C315 R316 L317E246-M313 HydrophobicContact CG-CB 3.93Å; E246-M313 HydrophobicContact CG-CG 4.13Å; E246-M313 WeakPolarHBondContact OE1-CG 3.45Å; P247-M313 HydrophobicContact CG-CB 4.39Å; I249-M313 HydrophobicContact CB-SD 4.49Å; I249-M313 HydrophobicContact CD1-CB 3.74Å; I249-M313 HydrophobicContact CD1-CG 4.02Å; I249-M313 HydrophobicContact CD1-SD 3.52Å; I249-M313 VanDerWaalsContact CD1-SD 3.52Å; I249-M313 HydrophobicContact CG1-CB 4.04Å; I249-M313 HydrophobicContact CG1-CG 4.24Å; I249-M313 HydrophobicContact CG1-SD 4.11Å; L253-M313 HydrophobicContact CD1-CG 4.43Å; L253-M313 HydrophobicContact CD1-SD 3.91Å; T311-M313 VanDerWaalsContact C-N 3.34Å; T311-M313 PolarHBondContact O-N 2.85Å; M313-C315 PolarHBondContact O-N 3.27Å; M313-R316 PolarHBondContact O-N 2.71Å; M313-L317 WeakPolarHBondContact O-CB 3.43Å; M313-L317 PolarHBondContact O-N 2.04Å
314G89.6Confident79.1Confident21 Ų2151.4 Ų51.422%0.21630%0.301CS..Hα-helixtrans-60.9-41.6172.400000113.1T311 L317 A318T311-G314 PolarHBondContact O-N 3.4Å; T311-G314 PolarHBondContact OG1-N 3.49Å; T311-G314 VanDerWaalsContact OG1-N 3.12Å; G314-L317 PolarHBondContact O-N 3.27Å; G314-A318 VanDerWaalsContact O-CB 3.3Å; G314-A318 WeakPolarHBondContact O-CB 3.47Å; G314-A318 PolarHBondContact O-N 2.89Å
315C88.4Confident81.8Confident9 Ų946.1 Ų46.16%0.06127%0.269CS..Hα-helixtrans-59.2-47.6174.3178.90000112.4L287 Y310 T311 L312 M313 A318 C319 C366L287-C315 VanDerWaalsContact CD1-CA 3.46Å; L287-C315 HydrophobicContact CD1-CB 3.45Å; L287-C315 VanDerWaalsContact CD1-CB 3.45Å; Y310-C315 HydrophobicContact CE2-CB 3.66Å; T311-C315 PolarHBondContact O-N 3.27Å; L312-C315 WeakPolarHBondContact O-CB 3.44Å; L312-C315 PolarHBondContact O-N 2.79Å; M313-C315 PolarHBondContact O-N 3.27Å; C315-A318 PolarHBondContact O-N 2.94Å; C315-C319 WeakPolarHBondContact O-CB 3.49Å; C315-C319 PolarHBondContact O-N 2.04Å; C315-C366 HydrophobicContact CB-CB 3.81Å; C315-C366 WeakPolarHBondContact CB-SG 3.28Å; C315-C366 VanDerWaalsContact SG-CA 3.54Å; C315-C366 WeakPolarHBondContact SG-CB 3.35Å; C315-C366 CovalentContact SG-SG 2.04Å; C315-C366 PolarHBondContact SG-SG 3.27Å
316R88.9Confident84.3Confident116 Ų11650.4 Ų50.444%0.43827%0.271SS..Hα-helixtrans-63.6-46.5179.9-70.4179.7179.4-172.4-1.9111.3L312 M313 A318 C319 E320 C366L312-R316 WeakPolarHBondContact O-CG 3.27Å; L312-R316 PolarHBondContact O-N 2.94Å; L312-R316 VanDerWaalsContact O-N 3.16Å; M313-R316 PolarHBondContact O-N 2.71Å; R316-A318 PolarHBondContact O-N 3.4Å; R316-C319 PolarHBondContact O-N 2.84Å; R316-E320 WeakPolarHBondContact O-CB 3.38Å; R316-E320 PolarHBondContact O-N 2.04Å; R316-C366 HydrophobicContact CG-CB 4.39Å
317L89.9Confident86.5Confident30 Ų3049.8 Ų49.816%0.15726%0.256CS..Hα-helixtrans-61.1-44.1177.5179.860000111.9P247 M313 G314 E320 T321 Y334 P336P247-L317 HydrophobicContact CB-CD2 4.14Å; P247-L317 HydrophobicContact CG-CD2 4.31Å; M313-L317 WeakPolarHBondContact O-CB 3.43Å; M313-L317 PolarHBondContact O-N 2.04Å; G314-L317 PolarHBondContact O-N 3.27Å; L317-E320 PolarHBondContact O-N 2.87Å; L317-T321 VanDerWaalsContact O-CB 3.27Å; L317-T321 WeakPolarHBondContact O-CB 3.42Å; L317-T321 PolarHBondContact O-N 3.48Å; L317-T321 PolarHBondContact O-OG1 3.27Å; L317-Y334 HydrophobicContact CD1-CD2 3.99Å; L317-Y334 HydrophobicContact CD1-CE2 3.99Å; L317-P336 HydrophobicContact CD2-CG 4.43Å; L317-P336 HydrophobicContact CG-CG 4.48Å
318A88.9Confident88.5Confident31 Ų3147.1 Ų47.126%0.25624%0.237SC..Hα-helixtrans-65.7-40.3176.900000112.1G314 C315 R316 R322G314-A318 VanDerWaalsContact O-CB 3.3Å; G314-A318 WeakPolarHBondContact O-CB 3.47Å; G314-A318 PolarHBondContact O-N 2.89Å; C315-A318 PolarHBondContact O-N 2.94Å; R316-A318 PolarHBondContact O-N 3.4Å; A318-R322 WeakPolarHBondContact O-CB 3.47Å; A318-R322 PolarHBondContact O-N 2.85Å
319C89.8Confident89.9Confident18 Ų1844.5 Ų44.512%0.12223%0.229CC..Hα-helixtrans-63-47.4176.5-172.30000111.5C315 R316 R322 Y323 C364C315-C319 WeakPolarHBondContact O-CB 3.49Å; C315-C319 PolarHBondContact O-N 2.04Å; R316-C319 PolarHBondContact O-N 2.84Å; C319-R322 PolarHBondContact O-N 2.84Å; C319-Y323 WeakPolarHBondContact O-CB 3.01Å; C319-Y323 PolarHBondContact O-N 3.31Å; C319-C364 HydrophobicContact CB-CB 3.83Å; C319-C364 WeakPolarHBondContact CB-SG 3.23Å; C319-C364 VanDerWaalsContact SG-CA 3.56Å; C319-C364 WeakPolarHBondContact SG-CB 3.49Å; C319-C364 CovalentContact SG-SG 2.04Å; C319-C364 PolarHBondContact SG-SG 3.5Å
320E90.9Very high90.9Very high18 Ų1841.5 Ų41.58%0.08421%0.21CC..Hα-helixtrans-60.1-48.9176.8-174.4-177.1142.100111.5R182 R316 L317 R322 Y323 V324 Y334 M335 I355 M358R182-E320 IonicContact CZ-OE1 3.54Å; R182-E320 IonicContact CZ-OE2 3.83Å; R182-E320 IonicContact NE-OE1 3.47Å; R182-E320 IonicContact NH2-OE1 2.72Å; R182-E320 PolarHBondContact NH2-OE1 2.88Å; R182-E320 IonicContact NH2-OE2 3.48Å; R182-E320 PolarHBondContact NH2-OE2 3.24Å; R316-E320 WeakPolarHBondContact O-CB 3.38Å; R316-E320 PolarHBondContact O-N 2.04Å; L317-E320 PolarHBondContact O-N 2.87Å; E320-R322 VanDerWaalsContact C-N 3.31Å; E320-R322 PolarHBondContact O-N 2.97Å; E320-Y323 PolarHBondContact O-N 2.9Å; E320-Y323 VanDerWaalsContact O-N 3.14Å; E320-V324 WeakPolarHBondContact O-CG2 2.96Å; E320-V324 PolarHBondContact O-N 2.98Å; E320-Y334 PolarHBondContact OE1-OH 3.49Å; E320-M335 HydrophobicContact CG-CE 3.73Å; E320-M335 WeakPolarHBondContact OE1-CE 3.02Å; E320-I355 HydrophobicContact CG-CD1 4.46Å; E320-I355 HydrophobicContact CG-CG1 4.16Å; E320-M358 HydrophobicContact CB-CE 3.96Å; E320-M358 HydrophobicContact CB-SD 4.28Å; E320-M358 HydrophobicContact CG-CE 3.86Å; E320-M358 HydrophobicContact CG-SD 4.42Å
321T91.8Very high91.4Very high17 Ų1742.3 Ų42.310%0.10421%0.213CC..Hα-helixtrans-55.5-47.7176.9-61.10000111.1L317 Y323 V324 A325 M335 P336L317-T321 VanDerWaalsContact O-CB 3.27Å; L317-T321 WeakPolarHBondContact O-CB 3.42Å; L317-T321 PolarHBondContact O-N 3.48Å; L317-T321 PolarHBondContact O-OG1 3.27Å; T321-Y323 PolarHBondContact O-N 3.11Å; T321-V324 PolarHBondContact O-N 2.04Å; T321-A325 WeakPolarHBondContact O-CB 3.3Å; T321-A325 PolarHBondContact O-N 3.24Å; T321-M335 HydrophobicContact CG2-CB 3.97Å; T321-M335 WeakPolarHBondContact OG1-CB 3.47Å; T321-M335 WeakPolarHBondContact OG1-CG 3.33Å; T321-P336 VanDerWaalsContact CG2-O 3.27Å; T321-P336 WeakPolarHBondContact CG2-O 3.36Å
322R89.7Confident91.7Very high84 Ų8441.5 Ų41.532%0.31721%0.208SC..Hα-helixtrans-64.8-39.9178.9-176.7174.566.4171-4112P289 N290 A318 C319 E320 R326P289-R322 PolarHBondContact O-NH1 3.11Å; N290-R322 PolarHBondContact OD1-NH1 3.17Å; A318-R322 WeakPolarHBondContact O-CB 3.47Å; A318-R322 PolarHBondContact O-N 2.85Å; C319-R322 PolarHBondContact O-N 2.84Å; E320-R322 VanDerWaalsContact C-N 3.31Å; E320-R322 PolarHBondContact O-N 2.97Å; R322-R326 HydrophobicContact CG-CG 4.39Å; R322-R326 WeakPolarHBondContact O-CB 3.27Å; R322-R326 VanDerWaalsContact O-CG 3.27Å; R322-R326 WeakPolarHBondContact O-CG 3.37Å; R322-R326 PolarHBondContact O-N 3.06Å
323Y91.6Very high92Very high57 Ų5741.3 Ų41.322%0.22421%0.207CC..Hα-helixtrans-64.7-46.8179.6-172.7-90000111.3C319 E320 T321 R326 K327 A354 M358C319-Y323 WeakPolarHBondContact O-CB 3.01Å; C319-Y323 PolarHBondContact O-N 3.31Å; E320-Y323 PolarHBondContact O-N 2.9Å; E320-Y323 VanDerWaalsContact O-N 3.14Å; T321-Y323 PolarHBondContact O-N 3.11Å; Y323-R326 PolarHBondContact O-N 3.44Å; Y323-K327 HydrophobicContact CE1-CD 4.02Å; Y323-K327 WeakPolarHBondContact O-CB 3.27Å; Y323-K327 PolarHBondContact O-N 3.28Å; Y323-A354 HydrophobicContact CD1-CB 4.37Å; Y323-A354 HydrophobicContact CE1-CB 4.04Å; Y323-A354 WeakPolarHBondContact CE1-O 3.04Å; Y323-M358 HydrophobicContact CD1-CB 3.88Å; Y323-M358 HydrophobicContact CD1-CG 4.23Å; Y323-M358 HydrophobicContact CD1-SD 4.22Å; Y323-M358 HydrophobicContact CD2-CG 4.26Å; Y323-M358 HydrophobicContact CE1-CB 3.78Å; Y323-M358 HydrophobicContact CE1-CG 4.49Å; Y323-M358 HydrophobicContact CE2-CB 4.44Å; Y323-M358 HydrophobicContact CG-CB 4.24Å; Y323-M358 HydrophobicContact CG-CG 4.09Å; Y323-M358 HydrophobicContact CG-SD 3.97Å
324V94.1Very high92.2Very high0 Ų042.4 Ų42.40%021%0.211CC..Hα-helixtrans-66-44176.4178.70000111E320 T321 R326 K327 C328 C330 M335 A351 I355E320-V324 WeakPolarHBondContact O-CG2 2.96Å; E320-V324 PolarHBondContact O-N 2.98Å; T321-V324 PolarHBondContact O-N 2.04Å; V324-R326 PolarHBondContact O-N 2.82Å; V324-K327 PolarHBondContact O-N 3Å; V324-C328 HydrophobicContact CG1-CB 4.31Å; V324-C328 WeakPolarHBondContact O-CA 3.49Å; V324-C328 WeakPolarHBondContact O-CB 3.44Å; V324-C328 PolarHBondContact O-N 3.13Å; V324-C330 CarbonylContact C-O 3.54Å; V324-M335 HydrophobicContact CB-CE 4.37Å; V324-M335 HydrophobicContact CB-SD 4.25Å; V324-M335 HydrophobicContact CG2-CE 3.95Å; V324-M335 HydrophobicContact CG2-SD 4.47Å; V324-A351 HydrophobicContact CG1-CB 4.04Å; V324-I355 HydrophobicContact CG2-CD1 4.15Å; V324-I355 HydrophobicContact CG2-CG1 3.64Å
325A94.3Very high92.4Very high22 Ų2241.6 Ų41.618%0.18220%0.201CC..Hα-helixtrans-59.8-43.6177.200000112.5T321 G329 C330 V339T321-A325 WeakPolarHBondContact O-CB 3.3Å; T321-A325 PolarHBondContact O-N 3.24Å; A325-G329 WeakPolarHBondContact O-CA 3.44Å; A325-G329 PolarHBondContact O-N 3.26Å; A325-C330 WeakPolarHBondContact CA-O 3.48Å; A325-C330 PolarHBondContact N-O 3.28Å; A325-V339 HydrophobicContact CB-CG1 4.38Å; A325-V339 HydrophobicContact CB-CG2 4.3Å
326R92.4Very high92.4Very high181 Ų18144.6 Ų44.668%0.68322%0.221SC*.Hα-helixtrans-67.6-38177.8-75.1178.5178.7-173.5-0.9112.9R322 Y323 V324R322-R326 HydrophobicContact CG-CG 4.39Å; R322-R326 WeakPolarHBondContact O-CB 3.27Å; R322-R326 VanDerWaalsContact O-CG 3.27Å; R322-R326 WeakPolarHBondContact O-CG 3.37Å; R322-R326 PolarHBondContact O-N 3.06Å; Y323-R326 PolarHBondContact O-N 3.44Å; V324-R326 PolarHBondContact O-N 2.82Å
327K93.5Very high92.2Very high114 Ų11441.1 Ų41.150%0.49622%0.222SC..Hα-helixtrans-87-35.5-173.9-167.8171.2177.8-173.30113.4Y323 V324 A354Y323-K327 HydrophobicContact CE1-CD 4.02Å; Y323-K327 WeakPolarHBondContact O-CB 3.27Å; Y323-K327 PolarHBondContact O-N 3.28Å; V324-K327 PolarHBondContact O-N 3Å; K327-A354 HydrophobicContact CD-CB 3.85Å
328C95.6Very high92.1Very high16 Ų1647.9 Ų47.911%0.10826%0.258CS..Hα-helixtrans-112.2-10.5-173.2-56.40000113.6V324 C330 C350V324-C328 HydrophobicContact CG1-CB 4.31Å; V324-C328 WeakPolarHBondContact O-CA 3.49Å; V324-C328 WeakPolarHBondContact O-CB 3.44Å; V324-C328 PolarHBondContact O-N 3.13Å; C328-C330 PolarHBondContact O-N 2.8Å; C328-C350 WeakPolarHBondContact CA-SG 3.44Å; C328-C350 HydrophobicContact CB-CB 3.98Å; C328-C350 WeakPolarHBondContact CB-SG 3.34Å; C328-C350 WeakPolarHBondContact SG-CB 2.99Å; C328-C350 CovalentContact SG-SG 2.04Å; C328-C350 PolarHBondContact SG-SG 3.03Å
329G95.3Very high92.3Very high52 Ų5249 Ų4954%0.53626%0.261SS..SBendtrans68.813.2-17800000114.2A325A325-G329 WeakPolarHBondContact O-CA 3.44Å; A325-G329 PolarHBondContact O-N 3.26Å
330C95.6Very high92.5Very high3 Ų352.3 Ų52.32%0.0228%0.283CS..SBendtrans-147.5169.8-175.564.70000110V324 A325 C328 P340 C342V324-C330 CarbonylContact C-O 3.54Å; A325-C330 WeakPolarHBondContact CA-O 3.48Å; A325-C330 PolarHBondContact N-O 3.28Å; C328-C330 PolarHBondContact O-N 2.8Å; C330-P340 CarbonylContact C-O 3.51Å; C330-P340 VanDerWaalsContact CA-O 3.27Å; C330-P340 WeakPolarHBondContact CA-O 3.48Å; C330-P340 WeakPolarHBondContact CB-O 3.05Å; C330-C342 HydrophobicContact CB-CB 3.82Å; C330-C342 WeakPolarHBondContact CB-SG 3.4Å; C330-C342 WeakPolarHBondContact SG-CA 3.19Å; C330-C342 WeakPolarHBondContact SG-CB 2.87Å; C330-C342 CovalentContact SG-SG 2.02Å; C330-C342 PolarHBondContact SG-SG 3.26Å
331R94.8Very high92.7Very high49 Ų4953.3 Ų53.319%0.18529%0.29CS..BIsolated β-bridgetrans-125.2159.3174.469.8175.6177.775.31.2112V333 M335 G337 V339 P340 V341 C342R331-V333 PolarHBondContact NH1-O 3.05Å; R331-M335 HydrophobicContact CB-CB 4.02Å; R331-M335 HydrophobicContact CB-SD 4.28Å; R331-M335 WeakPolarHBondContact CD-O 3.1Å; R331-M335 PolarHBondContact NH1-O 3.14Å; R331-G337 PolarHBondContact NE-O 3.11Å; R331-G337 PolarHBondContact NH2-O 3.22Å; R331-V339 WeakPolarHBondContact CD-O 3.45Å; R331-V339 WeakPolarHBondContact CG-O 3.42Å; R331-V339 PolarHBondContact NE-O 3.46Å; R331-P340 PolarHBondContact N-O 2.92Å; R331-V341 CarbonylContact O-C 3.25Å; R331-V341 VanDerWaalsContact O-CA 3.3Å; R331-V341 WeakPolarHBondContact O-CA 3.47Å; R331-C342 PolarHBondContact N-SG 2.71Å; R331-C342 PolarHBondContact O-N 2.91Å; R331-C342 PolarHBondContact O-SG 3.29Å; R331-C342 VanDerWaalsContact O-SG 3.42Å
332M94Very high92.9Very high3 Ų352.5 Ų52.52%0.01529%0.285CS..  trans-76.5162.1169.1-64.9-172.7172.400111.1Y334 M335 Y347 A351 I355M332-Y334 VanDerWaalsContact C-N 3.31Å; M332-Y334 HydrophobicContact CB-CD1 3.96Å; M332-Y334 HydrophobicContact CB-CE1 3.63Å; M332-Y334 HydrophobicContact CG-CE1 4.22Å; M332-Y334 PolarHBondContact O-N 3.1Å; M332-Y334 HydrophobicContact SD-CE1 3.47Å; M332-Y334 WeakPolarHBondContact SD-CE1 3.31Å; M332-Y334 PolarHBondContact SD-OH 3.19Å; M332-Y334 VanDerWaalsContact SD-OH 3.4Å; M332-M335 HydrophobicContact CB-CE 4.08Å; M332-M335 HydrophobicContact CB-CG 4.06Å; M332-M335 HydrophobicContact CB-SD 3.91Å; M332-M335 HydrophobicContact CG-CE 4Å; M332-M335 HydrophobicContact CG-SD 4.2Å; M332-M335 PolarHBondContact N-SD 3.4Å; M332-M335 VanDerWaalsContact N-SD 3.43Å; M332-M335 WeakPolarHBondContact O-CB 3.17Å; M332-M335 PolarHBondContact O-N 3.17Å; M332-M335 HydrophobicContact SD-CE 4.05Å; M332-Y347 WeakPolarHBondContact CA-OH 3.41Å; M332-Y347 HydrophobicContact CB-CE2 4.46Å; M332-Y347 WeakPolarHBondContact CB-OH 3.48Å; M332-Y347 HydrophobicContact CE-CD2 4.45Å; M332-Y347 HydrophobicContact CG-CE1 4.28Å; M332-Y347 HydrophobicContact CG-CE2 4.1Å; M332-Y347 HydrophobicContact SD-CE2 4.3Å; M332-A351 HydrophobicContact CE-CB 3.4Å; M332-A351 HydrophobicContact CG-CB 4.38Å; M332-I355 HydrophobicContact CE-CD1 3.39Å; M332-I355 HydrophobicContact SD-CD1 3.72Å
333V93.8Very high93.1Very high15 Ų1550.7 Ų50.79%0.09129%0.285CS..THydrogen-bonded Turntrans-57-40.5-176.2173.80000112.8M146 A147 Y150 F180 R331 M335 V341 Y347M146-V333 HydrophobicContact CB-CG2 3.95Å; A147-V333 HydrophobicContact CB-CG1 4.42Å; A147-V333 HydrophobicContact CB-CG2 4.28Å; Y150-V333 HydrophobicContact CD2-CB 4.43Å; Y150-V333 HydrophobicContact CD2-CG1 4.47Å; Y150-V333 HydrophobicContact CD2-CG2 4.06Å; Y150-V333 HydrophobicContact CE2-CG2 4.48Å; F180-V333 HydrophobicContact CB-CG1 3.92Å; F180-V333 HydrophobicContact CD1-CG1 3.89Å; F180-V333 HydrophobicContact CD2-CG1 4.27Å; F180-V333 HydrophobicContact CG-CG1 3.75Å; R331-V333 PolarHBondContact NH1-O 3.05Å; V333-M335 VanDerWaalsContact C-N 3.31Å; V333-M335 PolarHBondContact O-N 3.14Å; V333-V341 HydrophobicContact CG2-CG1 3.64Å; V333-Y347 WeakPolarHBondContact CG2-OH 3.06Å; V333-Y347 PolarHBondContact N-OH 3.43Å
334Y93.4Very high93.1Very high35 Ų3548.1 Ų48.114%0.13728%0.276CS..THydrogen-bonded Turntrans-77.8-13.5179.266.6-95.2000114.2F180 R182 L317 E320 M332F180-Y334 WeakPolarHBondContact O-CA 3.25Å; F180-Y334 WeakPolarHBondContact O-CB 3.46Å; R182-Y334 HydrophobicContact CB-CE1 4.44Å; R182-Y334 HydrophobicContact CG-CD1 3.9Å; R182-Y334 HydrophobicContact CG-CD2 4.32Å; R182-Y334 HydrophobicContact CG-CE1 3.45Å; R182-Y334 VanDerWaalsContact CG-CE1 3.45Å; R182-Y334 HydrophobicContact CG-CE2 3.93Å; R182-Y334 HydrophobicContact CG-CG 4.32Å; R182-Y334 VanDerWaalsContact CG-CZ 3.47Å; R182-Y334 PolarHBondContact NE-OH 3.24Å; R182-Y334 VanDerWaalsContact NE-OH 3.15Å; L317-Y334 HydrophobicContact CD1-CD2 3.99Å; L317-Y334 HydrophobicContact CD1-CE2 3.99Å; E320-Y334 PolarHBondContact OE1-OH 3.49Å; M332-Y334 VanDerWaalsContact C-N 3.31Å; M332-Y334 HydrophobicContact CB-CD1 3.96Å; M332-Y334 HydrophobicContact CB-CE1 3.63Å; M332-Y334 HydrophobicContact CG-CE1 4.22Å; M332-Y334 PolarHBondContact O-N 3.1Å; M332-Y334 HydrophobicContact SD-CE1 3.47Å; M332-Y334 WeakPolarHBondContact SD-CE1 3.31Å; M332-Y334 PolarHBondContact SD-OH 3.19Å; M332-Y334 VanDerWaalsContact SD-OH 3.4Å
335M93.1Very high92.9Very high3 Ų352.1 Ų52.12%0.01529%0.294CS..SBendtrans-79.3134.3-178.2-68.8177.1179.500109.8E320 T321 V324 R331 M332 V333 I355E320-M335 HydrophobicContact CG-CE 3.73Å; E320-M335 WeakPolarHBondContact OE1-CE 3.02Å; T321-M335 HydrophobicContact CG2-CB 3.97Å; T321-M335 WeakPolarHBondContact OG1-CB 3.47Å; T321-M335 WeakPolarHBondContact OG1-CG 3.33Å; V324-M335 HydrophobicContact CB-CE 4.37Å; V324-M335 HydrophobicContact CB-SD 4.25Å; V324-M335 HydrophobicContact CG2-CE 3.95Å; V324-M335 HydrophobicContact CG2-SD 4.47Å; R331-M335 HydrophobicContact CB-CB 4.02Å; R331-M335 HydrophobicContact CB-SD 4.28Å; R331-M335 WeakPolarHBondContact CD-O 3.1Å; R331-M335 PolarHBondContact NH1-O 3.14Å; M332-M335 HydrophobicContact CB-CE 4.08Å; M332-M335 HydrophobicContact CB-CG 4.06Å; M332-M335 HydrophobicContact CB-SD 3.91Å; M332-M335 HydrophobicContact CG-CE 4Å; M332-M335 HydrophobicContact CG-SD 4.2Å; M332-M335 PolarHBondContact N-SD 3.4Å; M332-M335 VanDerWaalsContact N-SD 3.43Å; M332-M335 WeakPolarHBondContact O-CB 3.17Å; M332-M335 PolarHBondContact O-N 3.17Å; M332-M335 HydrophobicContact SD-CE 4.05Å; V333-M335 VanDerWaalsContact C-N 3.31Å; V333-M335 PolarHBondContact O-N 3.14Å; M335-I355 HydrophobicContact CE-CD1 3.93Å
336P89.1Confident92.9Very high72 Ų7254.5 Ų54.547%0.46830%0.302SS..  trans-71166.3176.229.7-35.3000112.4L317 T321L317-P336 HydrophobicContact CD2-CG 4.43Å; L317-P336 HydrophobicContact CG-CG 4.48Å; T321-P336 VanDerWaalsContact CG2-O 3.27Å; T321-P336 WeakPolarHBondContact CG2-O 3.36Å
337G85.7Confident92.9Very high44 Ų4446.3 Ų46.345%0.45427%0.271SS..SBendtrans109.7170.1171.500000115.5R331R331-G337 PolarHBondContact NE-O 3.11Å; R331-G337 PolarHBondContact NH2-O 3.22Å
338D87.8Confident92.7Very high171 Ų17144.8 Ų44.891%0.91426%0.264SS*.SBendtrans-90.3-4.9-170.1-55.1-47000114.1
339V92.1Very high92.5Very high54 Ų5449.2 Ų49.233%0.32729%0.287SS..SBendtrans-62.4140.6174.5178.70000109.2A325 R331A325-V339 HydrophobicContact CB-CG1 4.38Å; A325-V339 HydrophobicContact CB-CG2 4.3Å; R331-V339 WeakPolarHBondContact CD-O 3.45Å; R331-V339 WeakPolarHBondContact CG-O 3.42Å; R331-V339 PolarHBondContact NE-O 3.46Å
340P94.5Very high92.5Very high89 Ų8948.3 Ų48.358%0.57827%0.272SS*.PPolyproline II helixtrans-62.4152.5-179.325.4-36.2000112.8C330 R331C330-P340 CarbonylContact C-O 3.51Å; C330-P340 VanDerWaalsContact CA-O 3.27Å; C330-P340 WeakPolarHBondContact CA-O 3.48Å; C330-P340 WeakPolarHBondContact CB-O 3.05Å; R331-P340 PolarHBondContact N-O 2.92Å
341V95Very high92.5Very high38 Ų3848.2 Ų48.223%0.2327%0.271CS..BIsolated β-bridgetrans-69.7135.8176.2-179.30000110.1M146 A147 R331 V333M146-V341 HydrophobicContact CB-CG1 3.91Å; A147-V341 HydrophobicContact CB-CG2 4.45Å; R331-V341 CarbonylContact O-C 3.25Å; R331-V341 VanDerWaalsContact O-CA 3.3Å; R331-V341 WeakPolarHBondContact O-CA 3.47Å; V333-V341 HydrophobicContact CG2-CG1 3.64Å
342C95.1Very high92.3Very high1 Ų148.1 Ų48.11%0.00727%0.272CS..PPolyproline II helixtrans-61.4139.3177.8-63.40000111.2M146 C330 R331 Q346 Y347M146-C342 WeakPolarHBondContact CG-O 3.46Å; C330-C342 HydrophobicContact CB-CB 3.82Å; C330-C342 WeakPolarHBondContact CB-SG 3.4Å; C330-C342 WeakPolarHBondContact SG-CA 3.19Å; C330-C342 WeakPolarHBondContact SG-CB 2.87Å; C330-C342 CovalentContact SG-SG 2.02Å; C330-C342 PolarHBondContact SG-SG 3.26Å; R331-C342 PolarHBondContact N-SG 2.71Å; R331-C342 PolarHBondContact O-N 2.91Å; R331-C342 PolarHBondContact O-SG 3.29Å; R331-C342 VanDerWaalsContact O-SG 3.42Å; C342-Q346 HydrophobicContact CB-CB 3.91Å; C342-Y347 HydrophobicContact CB-CD1 3.49Å; C342-Y347 VanDerWaalsContact CB-CD1 3.49Å; C342-Y347 HydrophobicContact CB-CE1 3.63Å; C342-Y347 WeakPolarHBondContact O-CE1 3.49Å
343S94.1Very high92.2Very high46 Ų4650.7 Ų50.732%0.32229%0.29SS..PPolyproline II helixtrans-65.8160.2168.664.90000111.2Q345 Q346 Y347S343-Q345 PolarHBondContact O-N 2.92Å; S343-Q345 VanDerWaalsContact O-N 3.17Å; S343-Q346 WeakPolarHBondContact O-CA 3.35Å; S343-Q346 WeakPolarHBondContact O-CB 3.19Å; S343-Q346 PolarHBondContact O-N 2.96Å; S343-Q346 WeakPolarHBondContact OG-CG 3.37Å; S343-Q346 PolarHBondContact OG-N 3.04Å; S343-Q346 PolarHBondContact OG-OE1 3.49Å; S343-Y347 PolarHBondContact O-N 2.84Å
344P92.1Very high92.2Very high3 Ų350 Ų502%0.01929%0.285CS..Hα-helixtrans-55-37178.3-20.224.7000113.6W109 A110 A113 F144 M146 Y347 K348W109-P344 HydrophobicContact CB-CG 4.26Å; W109-P344 WeakPolarHBondContact O-CB 3.2Å; W109-P344 WeakPolarHBondContact O-CG 3.27Å; A110-P344 HydrophobicContact CB-CB 4.26Å; A110-P344 HydrophobicContact CB-CG 4.23Å; A113-P344 HydrophobicContact CB-CB 3.8Å; A113-P344 WeakPolarHBondContact CB-O 3.32Å; F144-P344 HydrophobicContact CD1-CG 3.54Å; F144-P344 HydrophobicContact CE1-CG 3.71Å; M146-P344 HydrophobicContact CG-CG 4.26Å; M146-P344 HydrophobicContact SD-CB 4.11Å; M146-P344 HydrophobicContact SD-CG 3.61Å; P344-Y347 VanDerWaalsContact O-CB 3.31Å; P344-Y347 WeakPolarHBondContact O-CB 3.34Å; P344-Y347 PolarHBondContact O-N 3.15Å; P344-K348 PolarHBondContact O-N 3.25Å
345Q89.9Confident92.2Very high84 Ų8448.7 Ų48.739%0.39328%0.281SS..Hα-helixtrans-69-36.5177.2-62-58.2-31.800111.8S343 K348 N349S343-Q345 PolarHBondContact O-N 2.92Å; S343-Q345 VanDerWaalsContact O-N 3.17Å; Q345-K348 PolarHBondContact O-N 3.44Å; Q345-N349 VanDerWaalsContact O-CB 3.22Å; Q345-N349 WeakPolarHBondContact O-CB 3.5Å; Q345-N349 VanDerWaalsContact O-CG 3.28Å; Q345-N349 PolarHBondContact O-N 3.37Å; Q345-N349 PolarHBondContact O-ND2 3.02Å
346Q93.8Very high92Very high72 Ų7252.1 Ų52.134%0.33630%0.299SS..Hα-helixtrans-68.7-34.5173.5-74.4169.5-47.100112.2C342 S343 C350 A351C342-Q346 HydrophobicContact CB-CB 3.91Å; S343-Q346 WeakPolarHBondContact O-CA 3.35Å; S343-Q346 WeakPolarHBondContact O-CB 3.19Å; S343-Q346 PolarHBondContact O-N 2.96Å; S343-Q346 WeakPolarHBondContact OG-CG 3.37Å; S343-Q346 PolarHBondContact OG-N 3.04Å; S343-Q346 PolarHBondContact OG-OE1 3.49Å; Q346-C350 CarbonylContact O-C 3.27Å; Q346-C350 WeakPolarHBondContact O-CA 3.37Å; Q346-C350 WeakPolarHBondContact O-CB 3.08Å; Q346-C350 PolarHBondContact O-N 3.12Å; Q346-A351 PolarHBondContact O-N 2.82Å
347Y92.2Very high92.1Very high8 Ų849.6 Ų49.63%0.03128%0.284CS..Iπ-helixtrans-53.6-57.9171-97.965.9000110.5M146 M332 V333 C342 S343 P344 A351 H352M146-Y347 HydrophobicContact CE-CD1 4.36Å; M146-Y347 HydrophobicContact CE-CD2 4.24Å; M146-Y347 HydrophobicContact CE-CE1 4.22Å; M146-Y347 HydrophobicContact CE-CE2 4.08Å; M146-Y347 HydrophobicContact CE-CG 4.39Å; M146-Y347 HydrophobicContact CG-CE1 4.31Å; M332-Y347 WeakPolarHBondContact CA-OH 3.41Å; M332-Y347 HydrophobicContact CB-CE2 4.46Å; M332-Y347 WeakPolarHBondContact CB-OH 3.48Å; M332-Y347 HydrophobicContact CE-CD2 4.45Å; M332-Y347 HydrophobicContact CG-CE1 4.28Å; M332-Y347 HydrophobicContact CG-CE2 4.1Å; M332-Y347 HydrophobicContact SD-CE2 4.3Å; V333-Y347 WeakPolarHBondContact CG2-OH 3.06Å; V333-Y347 PolarHBondContact N-OH 3.43Å; C342-Y347 HydrophobicContact CB-CD1 3.49Å; C342-Y347 VanDerWaalsContact CB-CD1 3.49Å; C342-Y347 HydrophobicContact CB-CE1 3.63Å; C342-Y347 WeakPolarHBondContact O-CE1 3.49Å; S343-Y347 PolarHBondContact O-N 2.84Å; P344-Y347 VanDerWaalsContact O-CB 3.31Å; P344-Y347 WeakPolarHBondContact O-CB 3.34Å; P344-Y347 PolarHBondContact O-N 3.15Å; Y347-A351 PolarHBondContact O-N 3.39Å; Y347-H352 AromaticContact CD2-CE1 3.78Å; Y347-H352 PolarHBondContact O-N 3.33Å; Y347-H352 PolarHBondContact O-ND1 3.42Å
348K89.6Confident92.2Very high83 Ų8347.9 Ų47.936%0.36127%0.265SS..Iπ-helixtrans-66.9-48.3-177.5-173.6176.8-173.6158.50113.4S112 A113 P344 Q345 P353S112-K348 PolarHBondContact O-NZ 3.38Å; S112-K348 PolarHBondContact OG-NZ 3.06Å; A113-K348 HydrophobicContact CB-CB 4.15Å; P344-K348 PolarHBondContact O-N 3.25Å; Q345-K348 PolarHBondContact O-N 3.44Å; K348-P353 WeakPolarHBondContact O-CD 3.03Å
349N92.8Very high92.2Very high109 Ų10944.5 Ų44.558%0.58325%0.246SC*.Iπ-helixtrans-90.1-18.3-167.1-59.3-28.1000113.5Q345Q345-N349 VanDerWaalsContact O-CB 3.22Å; Q345-N349 WeakPolarHBondContact O-CB 3.5Å; Q345-N349 VanDerWaalsContact O-CG 3.28Å; Q345-N349 PolarHBondContact O-N 3.37Å; Q345-N349 PolarHBondContact O-ND2 3.02Å
350C94.7Very high91.9Very high33 Ų3351.4 Ų51.422%0.22327%0.266CS..Iπ-helixtrans-129.3-56.9-177-167.50000113.1C328 Q346 P353 A354C328-C350 WeakPolarHBondContact CA-SG 3.44Å; C328-C350 HydrophobicContact CB-CB 3.98Å; C328-C350 WeakPolarHBondContact CB-SG 3.34Å; C328-C350 WeakPolarHBondContact SG-CB 2.99Å; C328-C350 CovalentContact SG-SG 2.04Å; C328-C350 PolarHBondContact SG-SG 3.03Å; Q346-C350 CarbonylContact O-C 3.27Å; Q346-C350 WeakPolarHBondContact O-CA 3.37Å; Q346-C350 WeakPolarHBondContact O-CB 3.08Å; Q346-C350 PolarHBondContact O-N 3.12Å; C350-P353 WeakPolarHBondContact O-CD 3.47Å; C350-A354 WeakPolarHBondContact O-CB 3.06Å; C350-A354 PolarHBondContact O-N 3.47Å
351A94.3Very high91.4Very high0 Ų054.5 Ų54.50%027%0.271CS..Iπ-helixtrans-67.8-50.6-166.300000112.7V324 M332 Q346 Y347 A354 I355V324-A351 HydrophobicContact CG1-CB 4.04Å; M332-A351 HydrophobicContact CE-CB 3.4Å; M332-A351 HydrophobicContact CG-CB 4.38Å; Q346-A351 PolarHBondContact O-N 2.82Å; Y347-A351 PolarHBondContact O-N 3.39Å; A351-A354 WeakPolarHBondContact O-CB 3.32Å; A351-A354 PolarHBondContact O-N 3.43Å; A351-I355 WeakPolarHBondContact O-CG1 3.49Å; A351-I355 PolarHBondContact O-N 2.91Å
352H91.3Very high90.5Very high47 Ų4759.2 Ų59.222%0.21829%0.294CS..Hα-helixtrans-60.7-52.2175.5-59.5118.9000112.1E230 Y347 A354 I355 D356E230-H352 IonicContact OE1-CD2 3.47Å; E230-H352 IonicContact OE1-CE1 3.88Å; E230-H352 IonicContact OE1-NE2 3.57Å; Y347-H352 AromaticContact CD2-CE1 3.78Å; Y347-H352 PolarHBondContact O-N 3.33Å; Y347-H352 PolarHBondContact O-ND1 3.42Å; H352-A354 PolarHBondContact O-N 2.99Å; H352-A354 VanDerWaalsContact O-N 3.13Å; H352-I355 PolarHBondContact O-N 3.49Å; H352-I355 VanDerWaalsContact O-N 3.11Å; H352-D356 PolarHBondContact O-N 3.19Å
353P92.9Very high89.6Confident58 Ų5862.1 Ų62.138%0.37732%0.315SS..Hα-helixtrans-60.1-29.4176.6-2433.9000114.1K348 C350 A357K348-P353 WeakPolarHBondContact O-CD 3.03Å; C350-P353 WeakPolarHBondContact O-CD 3.47Å; P353-A357 WeakPolarHBondContact O-CB 3.06Å; P353-A357 PolarHBondContact O-N 3.44Å
354A93.4Very high89.1Confident0 Ų061 Ų610%031%0.307CS..Hα-helixtrans-68.1-48.1175.500000111.4Y323 K327 C350 A351 H352 A357 M358Y323-A354 HydrophobicContact CD1-CB 4.37Å; Y323-A354 HydrophobicContact CE1-CB 4.04Å; Y323-A354 WeakPolarHBondContact CE1-O 3.04Å; K327-A354 HydrophobicContact CD-CB 3.85Å; C350-A354 WeakPolarHBondContact O-CB 3.06Å; C350-A354 PolarHBondContact O-N 3.47Å; A351-A354 WeakPolarHBondContact O-CB 3.32Å; A351-A354 PolarHBondContact O-N 3.43Å; H352-A354 PolarHBondContact O-N 2.99Å; H352-A354 VanDerWaalsContact O-N 3.13Å; A354-A357 PolarHBondContact O-N 3.3Å; A354-M358 WeakPolarHBondContact O-CB 3.44Å; A354-M358 PolarHBondContact O-N 3.41Å
355I92.1Very high88.8Confident7 Ų765.7 Ų65.74%0.03635%0.346CS..Hα-helixtrans-60.8-46.6176.8-66.5168.9000109.9E320 V324 M332 M335 A351 H352 A357 M358 L359E320-I355 HydrophobicContact CG-CD1 4.46Å; E320-I355 HydrophobicContact CG-CG1 4.16Å; V324-I355 HydrophobicContact CG2-CD1 4.15Å; V324-I355 HydrophobicContact CG2-CG1 3.64Å; M332-I355 HydrophobicContact CE-CD1 3.39Å; M332-I355 HydrophobicContact SD-CD1 3.72Å; M335-I355 HydrophobicContact CE-CD1 3.93Å; A351-I355 WeakPolarHBondContact O-CG1 3.49Å; A351-I355 PolarHBondContact O-N 2.91Å; H352-I355 PolarHBondContact O-N 3.49Å; H352-I355 VanDerWaalsContact O-N 3.11Å; I355-A357 VanDerWaalsContact C-N 3.29Å; I355-A357 PolarHBondContact O-N 2.98Å; I355-M358 WeakPolarHBondContact O-CB 3.37Å; I355-M358 PolarHBondContact O-N 3.41Å; I355-L359 HydrophobicContact CG2-CD1 3.96Å; I355-L359 HydrophobicContact CG2-CG 4.37Å; I355-L359 WeakPolarHBondContact O-CG 3.42Å; I355-L359 PolarHBondContact O-N 2.85Å
356D90.4Very high88.7Confident75 Ų7562.9 Ų62.940%0.40134%0.335SS..Hα-helixtrans-63.5-35.6179-61.6-23.8000112.7H352 R360H352-D356 PolarHBondContact O-N 3.19Å; D356-R360 WeakPolarHBondContact O-CB 3.44Å; D356-R360 WeakPolarHBondContact O-CG 3.22Å; D356-R360 PolarHBondContact O-N 2.86Å; D356-R360 VanDerWaalsContact O-N 3.15Å; D356-R360 PolarHBondContact O-NE 3.13Å
357A90.2Very high88.4Confident19 Ų1962.2 Ų62.216%0.15734%0.337CS..Hα-helixtrans-70.8-34.7174.900000112.1P353 A354 I355 K361P353-A357 WeakPolarHBondContact O-CB 3.06Å; P353-A357 PolarHBondContact O-N 3.44Å; A354-A357 PolarHBondContact O-N 3.3Å; I355-A357 VanDerWaalsContact C-N 3.29Å; I355-A357 PolarHBondContact O-N 2.98Å; A357-K361 WeakPolarHBondContact O-CB 3.1Å; A357-K361 WeakPolarHBondContact O-CG 3.42Å; A357-K361 PolarHBondContact O-N 3.12Å
358M89.1Confident88.3Confident9 Ų965.7 Ų65.74%0.04436%0.356CS..Hα-helixtrans-66.8-48.2176.1-178.7-166.173.400110.8E320 Y323 A354 I355 R360 K361 D362 S363E320-M358 HydrophobicContact CB-CE 3.96Å; E320-M358 HydrophobicContact CB-SD 4.28Å; E320-M358 HydrophobicContact CG-CE 3.86Å; E320-M358 HydrophobicContact CG-SD 4.42Å; Y323-M358 HydrophobicContact CD1-CB 3.88Å; Y323-M358 HydrophobicContact CD1-CG 4.23Å; Y323-M358 HydrophobicContact CD1-SD 4.22Å; Y323-M358 HydrophobicContact CD2-CG 4.26Å; Y323-M358 HydrophobicContact CE1-CB 3.78Å; Y323-M358 HydrophobicContact CE1-CG 4.49Å; Y323-M358 HydrophobicContact CE2-CB 4.44Å; Y323-M358 HydrophobicContact CG-CB 4.24Å; Y323-M358 HydrophobicContact CG-CG 4.09Å; Y323-M358 HydrophobicContact CG-SD 3.97Å; A354-M358 WeakPolarHBondContact O-CB 3.44Å; A354-M358 PolarHBondContact O-N 3.41Å; I355-M358 WeakPolarHBondContact O-CB 3.37Å; I355-M358 PolarHBondContact O-N 3.41Å; M358-R360 VanDerWaalsContact C-N 3.34Å; M358-R360 PolarHBondContact O-N 2.9Å; M358-K361 PolarHBondContact O-N 3.27Å; M358-D362 PolarHBondContact O-N 2.9Å; M358-D362 VanDerWaalsContact O-N 3.11Å; M358-S363 PolarHBondContact O-N 3.38Å
359L86.6Confident88.3Confident99 Ų9962.3 Ų62.352%0.51834%0.343SS..Hα-helixtrans-60.9-42.5178.6-69.4172000111.4I355 K361 D362I355-L359 HydrophobicContact CG2-CD1 3.96Å; I355-L359 HydrophobicContact CG2-CG 4.37Å; I355-L359 WeakPolarHBondContact O-CG 3.42Å; I355-L359 PolarHBondContact O-N 2.85Å; L359-K361 VanDerWaalsContact C-N 3.31Å; L359-K361 PolarHBondContact O-N 2.56Å; L359-D362 PolarHBondContact O-N 2.86Å
360R86.3Confident88.2Confident199 Ų19958.1 Ų58.175%0.75132%0.322SS*.Hα-helixtrans-66.2-28.7177.3-78.2-177.8-76.1178.4-9.9114.4D356 M358D356-R360 WeakPolarHBondContact O-CB 3.44Å; D356-R360 WeakPolarHBondContact O-CG 3.22Å; D356-R360 PolarHBondContact O-N 2.86Å; D356-R360 VanDerWaalsContact O-N 3.15Å; D356-R360 PolarHBondContact O-NE 3.13Å; M358-R360 VanDerWaalsContact C-N 3.34Å; M358-R360 PolarHBondContact O-N 2.9Å
361K84Confident88.1Confident155 Ų15560.3 Ų60.367%0.67434%0.342SS*.THydrogen-bonded Turntrans-94.80-179.9-72.8-174.6178.4-173.80113.4A357 M358 L359 S363A357-K361 WeakPolarHBondContact O-CB 3.1Å; A357-K361 WeakPolarHBondContact O-CG 3.42Å; A357-K361 PolarHBondContact O-N 3.12Å; M358-K361 PolarHBondContact O-N 3.27Å; L359-K361 VanDerWaalsContact C-N 3.31Å; L359-K361 PolarHBondContact O-N 2.56Å; K361-S363 WeakPolarHBondContact CB-OG 3.09Å; K361-S363 PolarHBondContact O-N 3.15Å; K361-S363 VanDerWaalsContact O-N 3.14Å
362D76.5Confident87.9Confident136 Ų13661.7 Ų61.773%0.72735%0.351SS*.THydrogen-bonded Turntrans40.948.8-172.7-161.317.8000112.8M358 L359 C364M358-D362 PolarHBondContact O-N 2.9Å; M358-D362 VanDerWaalsContact O-N 3.11Å; L359-D362 PolarHBondContact O-N 2.86Å; D362-C364 PolarHBondContact O-N 3.28Å; D362-C364 VanDerWaalsContact O-N 3.14Å
363S76.4Confident88Confident62 Ų6261.3 Ų61.343%0.43435%0.353SS..  trans-75.70.8-170.4-57.90000114.1M358 K361M358-S363 PolarHBondContact O-N 3.38Å; K361-S363 WeakPolarHBondContact CB-OG 3.09Å; K361-S363 PolarHBondContact O-N 3.15Å; K361-S363 VanDerWaalsContact O-N 3.14Å
364C83.1Confident88Confident24 Ų2465.2 Ų65.216%0.16236%0.36CS..  trans-116.688.1-174.9-70.10000111.2C319 D362 C366C319-C364 HydrophobicContact CB-CB 3.83Å; C319-C364 WeakPolarHBondContact CB-SG 3.23Å; C319-C364 VanDerWaalsContact SG-CA 3.56Å; C319-C364 WeakPolarHBondContact SG-CB 3.49Å; C319-C364 CovalentContact SG-SG 2.04Å; C319-C364 PolarHBondContact SG-SG 3.5Å; D362-C364 PolarHBondContact O-N 3.28Å; D362-C364 VanDerWaalsContact O-N 3.14Å; C364-C366 PolarHBondContact O-N 2.68Å; C364-C366 VanDerWaalsContact O-N 3.17Å
365A85.8Confident88.1Confident101 Ų10166.3 Ų66.384%0.83536%0.364SS*.  trans-75.8100.9170.900000110.3
366C86.7Confident88.2Confident25 Ų2567.5 Ų67.517%0.16938%0.375CS..  trans-111.1108.9174.7-73.80000109.6L312 C315 R316 C364L312-C366 HydrophobicContact CD1-CB 3.9Å; C315-C366 HydrophobicContact CB-CB 3.81Å; C315-C366 WeakPolarHBondContact CB-SG 3.28Å; C315-C366 VanDerWaalsContact SG-CA 3.54Å; C315-C366 WeakPolarHBondContact SG-CB 3.35Å; C315-C366 CovalentContact SG-SG 2.04Å; C315-C366 PolarHBondContact SG-SG 3.27Å; R316-C366 HydrophobicContact CG-CB 4.39Å; C364-C366 PolarHBondContact O-N 2.68Å; C364-C366 VanDerWaalsContact O-N 3.17Å
367P87.9Confident88.4Confident57 Ų5768.9 Ų68.937%0.3738%0.377SS..PPolyproline II helixtrans-66.3157.417728.2-34.9000111.5Y310Y310-P367 WeakPolarHBondContact OH-CD 3.48Å; Y310-P367 PolarHBondContact OH-O 3.48Å
368N89.5Confident88.7Confident81 Ų8174.2 Ų74.243%0.43340%0.399SS..EExtended strand (participates in β ladder)trans-73.3140.5174.6-70.3-35000110.2C282 S283C282-N368 CarbonylContact C-O 3.47Å; C282-N368 WeakPolarHBondContact CA-O 3.22Å; C282-N368 WeakPolarHBondContact CB-O 3.29Å; S283-N368 PolarHBondContact N-O 2.96Å
369P91.1Very high89Confident13 Ų1377.7 Ų77.78%0.08442%0.417CS..EExtended strand (participates in β ladder)trans-65.2143.4173.128.5-35.3000110.4F274 Y310 A371F274-P369 WeakPolarHBondContact CD2-O 3.35Å; Y310-P369 HydrophobicContact CD1-CB 3.89Å; Y310-P369 HydrophobicContact CE1-CB 4.06Å; P369-A371 VanDerWaalsContact C-N 3.26Å; P369-A371 PolarHBondContact O-N 3.22Å
370C91Very high89.5Confident21 Ų2176.1 Ų76.114%0.14242%0.415CS..SBendtrans-70.3-23.2176.1-62.20000113.5S273 F274 C282 S283S273-C370 CarbonylContact C-O 3.53Å; S273-C370 WeakPolarHBondContact CA-O 3.36Å; F274-C370 PolarHBondContact N-O 3.05Å; C282-C370 HydrophobicContact CB-CB 3.89Å; C282-C370 WeakPolarHBondContact CB-SG 3.33Å; C282-C370 WeakPolarHBondContact SG-CA 3.35Å; C282-C370 WeakPolarHBondContact SG-CB 3.4Å; C282-C370 CovalentContact SG-SG 2.04Å; C282-C370 PolarHBondContact SG-SG 3.28Å; S283-C370 PolarHBondContact O-N 2.83Å
371A91.1Very high90Very high78 Ų7871 Ų7165%0.64540%0.4SS*.EExtended strand (participates in β ladder)trans-130.1130.5173.500000109L272 P369L272-A371 WeakPolarHBondContact O-CA 3.25Å; P369-A371 VanDerWaalsContact C-N 3.26Å; P369-A371 PolarHBondContact O-N 3.22Å
372S91.4Very high90.7Very high29 Ų2967 Ų6720%0.20339%0.389CS..EExtended strand (participates in β ladder)trans-149.2148.8173.759.40000111.4L272L272-S372 PolarHBondContact N-O 3.39Å; L272-S372 PolarHBondContact O-N 3.25Å
373T92.5Very high91.6Very high40 Ų4070 Ų7025%0.24539%0.39CS..EExtended strand (participates in β ladder)trans-103.8130.4172.6-610000108.8Q269 Q270 Y375Q269-T373 HydrophobicContact CG-CG2 3.85Å; Q270-T373 CarbonylContact O-C 3.26Å; Q270-T373 WeakPolarHBondContact O-CA 3.42Å; T373-Y375 HydrophobicContact CG2-CE2 4.17Å
374R93.1Very high92.5Very high139 Ų13968.2 Ų68.253%0.52538%0.376SS..EExtended strand (participates in β ladder)trans-122.7160173.4-67.3-161179.6-179.4-4.7110.5Q270 L272Q270-R374 HydrophobicContact CB-CB 4.46Å; Q270-R374 PolarHBondContact N-O 3.39Å; Q270-R374 PolarHBondContact O-N 2.87Å; L272-R374 HydrophobicContact CD1-CB 4.46Å; L272-R374 HydrophobicContact CD1-CG 3.79Å
375Y94.9Very high93.1Very high24 Ų2468 Ų689%0.09437%0.374CS..EExtended strand (participates in β ladder)trans-120.3106.9175.3-61.8-82.2000108.4P87 I241 Q268 Q269 T373 F415P87-Y375 HydrophobicContact CB-CD1 4.25Å; P87-Y375 HydrophobicContact CB-CD2 4.05Å; P87-Y375 HydrophobicContact CB-CE1 3.92Å; P87-Y375 HydrophobicContact CB-CE2 3.72Å; P87-Y375 HydrophobicContact CB-CG 4.31Å; P87-Y375 HydrophobicContact CG-CD1 4.46Å; P87-Y375 HydrophobicContact CG-CE1 4.33Å; I241-Y375 HydrophobicContact CG2-CD2 4.14Å; I241-Y375 HydrophobicContact CG2-CG 4.01Å; Q268-Y375 CarbonylContact O-C 3.58Å; Q268-Y375 WeakPolarHBondContact O-CA 3.33Å; Q269-Y375 HydrophobicContact CB-CD1 4.25Å; Q269-Y375 HydrophobicContact CB-CE1 4.06Å; Q269-Y375 HydrophobicContact CG-CD1 4.46Å; Q269-Y375 HydrophobicContact CG-CE1 3.97Å; T373-Y375 HydrophobicContact CG2-CE2 4.17Å; Y375-F415 HydrophobicContact CD1-CE1 4.04Å; Y375-F415 HydrophobicContact CD1-CZ 4.41Å; Y375-F415 HydrophobicContact CE1-CE1 4.03Å; Y375-F415 AromaticContact CE1-CZ 3.99Å; Y375-F415 HydrophobicContact CE1-CZ 3.99Å
376A94.4Very high93.6Very high32 Ų3266.5 Ų66.526%0.26436%0.357SS..EExtended strand (participates in β ladder)trans-67.3142.4167.200000108.3C267 Q268 Q270C267-A376 CarbonylContact C-O 3.52Å; C267-A376 VanDerWaalsContact CA-O 3.29Å; C267-A376 WeakPolarHBondContact CA-O 3.27Å; Q268-A376 HydrophobicContact CB-CB 4.36Å; Q268-A376 PolarHBondContact N-O 2.92Å; Q268-A376 PolarHBondContact O-N 3.48Å; Q270-A376 HydrophobicContact CG-CB 4.32Å
377K94.6Very high93.9Very high103 Ų10377.1 Ų77.145%0.44839%0.394SS..EExtended strand (participates in β ladder)trans-137131.4-17259.2-176.7180-68.60111.2L255 V265 S266 L379L255-K377 HydrophobicContact CD2-CD 3.82Å; V265-K377 HydrophobicContact CG1-CB 4.01Å; S266-K377 CarbonylContact O-C 3.57Å; S266-K377 WeakPolarHBondContact O-CA 3.35Å; K377-L379 HydrophobicContact CD-CD1 4.47Å; K377-L379 HydrophobicContact CG-CD1 4.24Å
378E96Very high94.2Very high132 Ų13278.9 Ų78.962%0.61741%0.413SS*.EExtended strand (participates in β ladder)trans-115.4132.1170.6-60.2-166.7161.500109.3V265 S266V265-E378 WeakPolarHBondContact CA-O 3.27Å; S266-E378 PolarHBondContact N-O 3.03Å; S266-E378 PolarHBondContact O-N 3.4Å
379L95.9Very high94.4Very high81 Ų8176.6 Ų76.642%0.42441%0.405SS..EExtended strand (participates in β ladder)trans-110134.4-174.4-68.785.2000110.3L255 F264 K377 M381L255-L379 HydrophobicContact CD1-CD2 4.03Å; L255-L379 HydrophobicContact CD2-CD2 4.45Å; F264-L379 WeakPolarHBondContact O-CA 3.39Å; K377-L379 HydrophobicContact CD-CD1 4.47Å; K377-L379 HydrophobicContact CG-CD1 4.24Å; L379-M381 HydrophobicContact CD2-CE 4.45Å
380S97.1Very high94.6Very high67 Ų6776.6 Ų76.647%0.46941%0.406SS..EExtended strand (participates in β ladder)trans-136.9154.7165.964.60000110.4T263 F264T263-S380 WeakPolarHBondContact CA-O 3.48Å; F264-S380 WeakPolarHBondContact CB-OG 3.38Å; F264-S380 PolarHBondContact N-O 2.91Å; F264-S380 PolarHBondContact O-N 3.01Å
381M97.2Very high94.7Very high90 Ų9083.8 Ų83.844%0.44343%0.431SS..EExtended strand (participates in β ladder)trans-140141.9-172.3-59.3-179.3-17800111.2Y261 Q262 T263 L379Y261-M381 HydrophobicContact CD1-CB 4.42Å; Q262-M381 WeakPolarHBondContact O-CA 3.34Å; T263-M381 HydrophobicContact CG2-CE 3.93Å; T263-M381 HydrophobicContact CG2-CG 4.08Å; L379-M381 HydrophobicContact CD2-CE 4.45Å
382V97.4Very high94.9Very high72 Ų7286.7 Ų86.744%0.43643%0.429SS..EExtended strand (participates in β ladder)trans-129.9154.9171-60.40000110Y261 Q262 F264Y261-V382 CarbonylContact C-O 3.55Å; Y261-V382 VanDerWaalsContact CA-O 3.23Å; Y261-V382 WeakPolarHBondContact CA-O 3.47Å; Q262-V382 HydrophobicContact CB-CG2 3.82Å; Q262-V382 HydrophobicContact CG-CG2 4.45Å; Q262-V382 PolarHBondContact N-O 2.86Å; Q262-V382 PolarHBondContact O-N 3.4Å; F264-V382 HydrophobicContact CE2-CB 4.44Å; F264-V382 HydrophobicContact CE2-CG1 4.05Å; F264-V382 HydrophobicContact CE2-CG2 3.67Å; F264-V382 HydrophobicContact CZ-CG2 4.11Å
383R97.1Very high95Very high198 Ų19886.3 Ų86.375%0.74742%0.424SS*.EExtended strand (participates in β ladder)trans-77.2134.6-178.4-173.3176.5-179.5166.74.1111.5Y261Y261-R383 HydrophobicContact CE1-CB 4.44Å
384I95.3Very high95.1Very high26 Ų2684.9 Ų84.913%0.13342%0.417CS..SBendtrans-129.8140.9172.7-166.2176.8000109.9G260 A410G260-I384 CarbonylContact C-O 3.52Å; G260-I384 VanDerWaalsContact C-O 3.29Å; G260-I384 WeakPolarHBondContact CA-O 3.19Å; G260-I384 PolarHBondContact O-N 3.15Å; I384-A410 HydrophobicContact CD1-CB 4.24Å
385P95.7Very high95.2Very high18 Ų1888 Ų8812%0.11743%0.429CS..SBendcis-80.5161.3-9.731.3-32.2000113.8A389 A390 L393 I404P385-A389 HydrophobicContact CB-CB 4.3Å; P385-A390 HydrophobicContact CB-CB 4.41Å; P385-A390 HydrophobicContact CG-CB 3.91Å; P385-L393 HydrophobicContact CB-CD1 3.81Å; P385-L393 HydrophobicContact CG-CD1 4.49Å; P385-I404 HydrophobicContact CG-CG2 3.96Å
386S95.3Very high95.2Very high71 Ų7193.4 Ų93.450%0.49745%0.453SS..  trans-66.3156.716476.70000110.5A388 A389 A390S386-A388 PolarHBondContact O-N 3.46Å; S386-A388 VanDerWaalsContact O-N 3.11Å; S386-A389 PolarHBondContact O-N 3.35Å; S386-A389 WeakPolarHBondContact OG-CB 3.41Å; S386-A389 PolarHBondContact OG-N 3.35Å; S386-A390 PolarHBondContact O-N 3.43Å
387R93.7Very high95.1Very high248 Ų24894 Ų9494%0.93645%0.451SS*.Hα-helixtrans-55-32.4177.2-72.4-176174.9175.6-1.1113.1
388A94.3Very high95.2Very high93 Ų9396.1 Ų96.177%0.76947%0.468SS*.Hα-helixtrans-74.4-36.2177.800000112.6S386S386-A388 PolarHBondContact O-N 3.46Å; S386-A388 VanDerWaalsContact O-N 3.11Å
389A94.3Very high95.1Very high33 Ų3395.6 Ų95.627%0.27346%0.46SS..Hα-helixtrans-86.1-20.3-177.300000113.8P385 S386 R391 F392 L393P385-A389 HydrophobicContact CB-CB 4.3Å; S386-A389 PolarHBondContact O-N 3.35Å; S386-A389 WeakPolarHBondContact OG-CB 3.41Å; S386-A389 PolarHBondContact OG-N 3.35Å; A389-R391 PolarHBondContact O-N 3.3Å; A389-F392 WeakPolarHBondContact O-CB 3.32Å; A389-F392 PolarHBondContact O-N 3.06Å; A389-L393 PolarHBondContact O-N 3.08Å
390A94.1Very high95.1Very high13 Ų1395.2 Ų95.211%0.10746%0.464CS..Hα-helixtrans-53-51.1-175.100000113.1P385 S386 F392 L393 A394P385-A390 HydrophobicContact CB-CB 4.41Å; P385-A390 HydrophobicContact CG-CB 3.91Å; S386-A390 PolarHBondContact O-N 3.43Å; A390-F392 VanDerWaalsContact C-N 3.31Å; A390-F392 PolarHBondContact O-N 2.92Å; A390-L393 PolarHBondContact O-N 3.13Å; A390-A394 VanDerWaalsContact O-CB 3.24Å; A390-A394 WeakPolarHBondContact O-CB 3.26Å; A390-A394 PolarHBondContact O-N 2.97Å
391R94.4Very high95Very high173 Ų17396.6 Ų96.665%0.65346%0.463SS*.Hα-helixtrans-62.5-36.7177.4-77.4176.6-175.5172.53.5113.3A389 R395 E401A389-R391 PolarHBondContact O-N 3.3Å; R391-R395 WeakPolarHBondContact O-CG 3.44Å; R391-R395 PolarHBondContact O-N 3.3Å; R391-E401 WeakPolarHBondContact CG-OE1 3.11Å; R391-E401 IonicContact NE-OE1 3.73Å
392F94.3Very high94.9Very high138 Ų13895 Ų9561%0.60546%0.464SS*.Hα-helixtrans-68.6-48.7-179.7174.8-96.9000110.8A389 A390 R395 K396A389-F392 WeakPolarHBondContact O-CB 3.32Å; A389-F392 PolarHBondContact O-N 3.06Å; A390-F392 VanDerWaalsContact C-N 3.31Å; A390-F392 PolarHBondContact O-N 2.92Å; F392-R395 PolarHBondContact O-N 3.18Å; F392-K396 HydrophobicContact CE1-CD 4.3Å; F392-K396 WeakPolarHBondContact O-CB 3.44Å; F392-K396 PolarHBondContact O-N 3.26Å
393L94.3Very high94.8Very high21 Ų2192.8 Ų92.811%0.1145%0.448CS..Hα-helixtrans-65-42.1177.7-70.3-179.5000112.1P385 A389 A390 R395 K396 L397 I404P385-L393 HydrophobicContact CB-CD1 3.81Å; P385-L393 HydrophobicContact CG-CD1 4.49Å; A389-L393 PolarHBondContact O-N 3.08Å; A390-L393 PolarHBondContact O-N 3.13Å; L393-R395 VanDerWaalsContact C-N 3.28Å; L393-R395 PolarHBondContact O-N 3.17Å; L393-K396 PolarHBondContact O-N 3.17Å; L393-K396 VanDerWaalsContact O-N 3.17Å; L393-L397 WeakPolarHBondContact O-CB 3.48Å; L393-L397 PolarHBondContact O-N 2.88Å; L393-I404 HydrophobicContact CB-CG2 4.4Å; L393-I404 HydrophobicContact CD1-CG2 4.47Å
394A94.9Very high94.8Very high11 Ų1183.4 Ų83.49%0.09141%0.413CS..Hα-helixtrans-54.6-44.6174.900000111.8A390 N398 R399 E401A390-A394 VanDerWaalsContact O-CB 3.24Å; A390-A394 WeakPolarHBondContact O-CB 3.26Å; A390-A394 PolarHBondContact O-N 2.97Å; A394-N398 WeakPolarHBondContact O-CA 3.22Å; A394-N398 PolarHBondContact O-N 3.23Å; A394-R399 CarbonylContact C-O 3.47Å; A394-R399 WeakPolarHBondContact CA-O 3.36Å; A394-R399 VanDerWaalsContact CB-O 3.28Å; A394-R399 WeakPolarHBondContact CB-O 3.22Å; A394-R399 PolarHBondContact O-N 2.8Å; A394-R399 VanDerWaalsContact O-O 3.07Å; A394-E401 HydrophobicContact CB-CG 3.97Å
395R95Very high94.7Very high205 Ų20584 Ų8477%0.77442%0.422SS*.Hα-helixtrans-69.3-42.8175.3-72176.6-177.9178.80.2112.9R391 F392 L393 L397 N398R391-R395 WeakPolarHBondContact O-CG 3.44Å; R391-R395 PolarHBondContact O-N 3.3Å; F392-R395 PolarHBondContact O-N 3.18Å; L393-R395 VanDerWaalsContact C-N 3.28Å; L393-R395 PolarHBondContact O-N 3.17Å; R395-L397 VanDerWaalsContact C-N 3.33Å; R395-L397 PolarHBondContact O-N 2.95Å; R395-N398 PolarHBondContact O-N 3.16Å
396K94.1Very high94.7Very high136 Ų13688.7 Ų88.759%0.59144%0.442SS*.Hα-helixtrans-61.5-42.2-179.4-175.7-176.3175.2-167.60111.6F392 L393F392-K396 HydrophobicContact CE1-CD 4.3Å; F392-K396 WeakPolarHBondContact O-CB 3.44Å; F392-K396 PolarHBondContact O-N 3.26Å; L393-K396 PolarHBondContact O-N 3.17Å; L393-K396 VanDerWaalsContact O-N 3.17Å
397L92.7Very high94.8Very high45 Ų4585.5 Ų85.524%0.23642%0.419CS..Hα-helixtrans-92.8-2-177.5-64.6168.9000113L162 L393 R395 R399 I404 V408L162-L397 HydrophobicContact CB-CD2 4.46Å; L162-L397 HydrophobicContact CD1-CD1 3.88Å; L162-L397 HydrophobicContact CD1-CD2 4.09Å; L162-L397 HydrophobicContact CD2-CD2 4.03Å; L162-L397 HydrophobicContact CG-CD2 4.44Å; L393-L397 WeakPolarHBondContact O-CB 3.48Å; L393-L397 PolarHBondContact O-N 2.88Å; R395-L397 VanDerWaalsContact C-N 3.33Å; R395-L397 PolarHBondContact O-N 2.95Å; L397-R399 VanDerWaalsContact C-N 3.3Å; L397-R399 HydrophobicContact CB-CG 4.44Å; L397-R399 WeakPolarHBondContact O-CG 3.2Å; L397-R399 PolarHBondContact O-N 2.87Å; L397-I404 HydrophobicContact CB-CD1 4.1Å; L397-I404 HydrophobicContact CD1-CD1 3.5Å; L397-I404 HydrophobicContact CG-CD1 4.43Å; L397-V408 HydrophobicContact CD1-CG2 4.41Å
398N95.6Very high95Very high148 Ų14873.8 Ų73.879%0.79138%0.375SS*.THydrogen-bonded Turntrans53.543.5-176.2-165.133.1000113.2A394 R395A394-N398 WeakPolarHBondContact O-CA 3.22Å; A394-N398 PolarHBondContact O-N 3.23Å; R395-N398 PolarHBondContact O-N 3.16Å
399R95Very high95.2Very high121 Ų12169.4 Ų69.446%0.45734%0.339SS..SBendtrans-129.4166.9-179.9-63.2-59.9-170.5167.811111.2A394 L397 Y403 I404A394-R399 CarbonylContact C-O 3.47Å; A394-R399 WeakPolarHBondContact CA-O 3.36Å; A394-R399 VanDerWaalsContact CB-O 3.28Å; A394-R399 WeakPolarHBondContact CB-O 3.22Å; A394-R399 PolarHBondContact O-N 2.8Å; A394-R399 VanDerWaalsContact O-O 3.07Å; L397-R399 VanDerWaalsContact C-N 3.3Å; L397-R399 HydrophobicContact CB-CG 4.44Å; L397-R399 WeakPolarHBondContact O-CG 3.2Å; L397-R399 PolarHBondContact O-N 2.87Å; R399-Y403 HydrophobicContact CB-CD1 3.69Å; R399-Y403 HydrophobicContact CB-CE1 4.37Å; R399-Y403 HydrophobicContact CB-CG 4.12Å; R399-Y403 HydrophobicContact CG-CD1 3.66Å; R399-Y403 HydrophobicContact CG-CE1 3.83Å; R399-Y403 HydrophobicContact CG-CG 4.35Å; R399-I404 HydrophobicContact CB-CD1 3.96Å; R399-I404 HydrophobicContact CB-CG1 4.44Å
400S96.2Very high95.4Very high72 Ų7267.9 Ų67.950%0.50333%0.326SS..  trans-74.9155.3176.171.20000111.6A402 Y403 I404S400-A402 PolarHBondContact O-N 3.45Å; S400-Y403 WeakPolarHBondContact O-CB 3.31Å; S400-Y403 PolarHBondContact O-N 3.06Å; S400-Y403 VanDerWaalsContact O-N 3.15Å; S400-Y403 VanDerWaalsContact OG-CB 3.28Å; S400-Y403 WeakPolarHBondContact OG-CB 3.4Å; S400-Y403 PolarHBondContact OG-N 3.47Å; S400-Y403 VanDerWaalsContact OG-N 3.11Å; S400-I404 WeakPolarHBondContact O-CG1 3.45Å; S400-I404 PolarHBondContact O-N 2.98Å; S400-I404 VanDerWaalsContact O-N 3.12Å
401E94.6Very high95.5Very high96 Ų9667.3 Ų67.345%0.44932%0.321SS..Hα-helixtrans-59-37.1176.4-66-179-155.600112.1R391 A394 I404 A405R391-E401 WeakPolarHBondContact CG-OE1 3.11Å; R391-E401 IonicContact NE-OE1 3.73Å; A394-E401 HydrophobicContact CB-CG 3.97Å; E401-I404 PolarHBondContact O-N 2.94Å; E401-A405 PolarHBondContact O-N 3.26Å
402A94.7Very high95.7Very high56 Ų5659.4 Ų59.446%0.46329%0.292SS..Hα-helixtrans-64-44.4175.300000111.6S400 I404 A405 E406S400-A402 PolarHBondContact O-N 3.45Å; A402-I404 VanDerWaalsContact C-N 3.31Å; A402-I404 PolarHBondContact O-N 3.4Å; A402-A405 PolarHBondContact O-N 3.22Å; A402-A405 VanDerWaalsContact O-N 3.17Å; A402-E406 WeakPolarHBondContact O-CB 3.32Å; A402-E406 WeakPolarHBondContact O-CG 3.43Å; A402-E406 PolarHBondContact O-N 3.35Å
403Y96.1Very high95.9Very high27 Ų2752.9 Ų52.911%0.10626%0.264CS..Hα-helixtrans-58.9-43.6177.6-175-83.8000111.9D215 E219 R399 S400 A405 E406 N407D215-Y403 PolarHBondContact OD1-OH 3.15Å; D215-Y403 WeakPolarHBondContact OD2-CE1 3.34Å; D215-Y403 PolarHBondContact OD2-OH 2.7Å; E219-Y403 VanDerWaalsContact CD-OH 3.31Å; E219-Y403 WeakPolarHBondContact OE1-CE2 3.42Å; E219-Y403 PolarHBondContact OE1-OH 3.18Å; E219-Y403 WeakPolarHBondContact OE2-CE2 3.19Å; E219-Y403 PolarHBondContact OE2-OH 3.48Å; R399-Y403 HydrophobicContact CB-CD1 3.69Å; R399-Y403 HydrophobicContact CB-CE1 4.37Å; R399-Y403 HydrophobicContact CB-CG 4.12Å; R399-Y403 HydrophobicContact CG-CD1 3.66Å; R399-Y403 HydrophobicContact CG-CE1 3.83Å; R399-Y403 HydrophobicContact CG-CG 4.35Å; S400-Y403 WeakPolarHBondContact O-CB 3.31Å; S400-Y403 PolarHBondContact O-N 3.06Å; S400-Y403 VanDerWaalsContact O-N 3.15Å; S400-Y403 VanDerWaalsContact OG-CB 3.28Å; S400-Y403 WeakPolarHBondContact OG-CB 3.4Å; S400-Y403 PolarHBondContact OG-N 3.47Å; S400-Y403 VanDerWaalsContact OG-N 3.11Å; Y403-A405 VanDerWaalsContact C-N 3.34Å; Y403-A405 PolarHBondContact O-N 3.28Å; Y403-E406 PolarHBondContact O-N 2.91Å; Y403-N407 HydrophobicContact CD1-CB 4.16Å; Y403-N407 WeakPolarHBondContact CD2-ND2 3.48Å; Y403-N407 HydrophobicContact CE1-CB 3.86Å; Y403-N407 VanDerWaalsContact CE2-ND2 3.29Å; Y403-N407 WeakPolarHBondContact CE2-ND2 3.33Å; Y403-N407 VanDerWaalsContact O-CB 3.29Å; Y403-N407 WeakPolarHBondContact O-CB 3.33Å; Y403-N407 PolarHBondContact O-N 2.96Å; Y403-N407 PolarHBondContact O-ND2 3.35Å
404I96Very high96Very high1 Ų153 Ų531%0.00526%0.263CS..Hα-helixtrans-62.4-44178.2-60.7-57.2000110.9P385 L393 L397 R399 S400 E401 A402 E406 V408P385-I404 HydrophobicContact CG-CG2 3.96Å; L393-I404 HydrophobicContact CB-CG2 4.4Å; L393-I404 HydrophobicContact CD1-CG2 4.47Å; L397-I404 HydrophobicContact CB-CD1 4.1Å; L397-I404 HydrophobicContact CD1-CD1 3.5Å; L397-I404 HydrophobicContact CG-CD1 4.43Å; R399-I404 HydrophobicContact CB-CD1 3.96Å; R399-I404 HydrophobicContact CB-CG1 4.44Å; S400-I404 WeakPolarHBondContact O-CG1 3.45Å; S400-I404 PolarHBondContact O-N 2.98Å; S400-I404 VanDerWaalsContact O-N 3.12Å; E401-I404 PolarHBondContact O-N 2.94Å; A402-I404 VanDerWaalsContact C-N 3.31Å; A402-I404 PolarHBondContact O-N 3.4Å; I404-E406 VanDerWaalsContact C-N 3.27Å; I404-E406 PolarHBondContact O-N 2.9Å; I404-V408 HydrophobicContact CB-CG2 4.46Å; I404-V408 HydrophobicContact CD1-CG2 3.81Å; I404-V408 HydrophobicContact CG2-CB 4.14Å; I404-V408 HydrophobicContact CG2-CG2 4.08Å; I404-V408 WeakPolarHBondContact O-CB 3.36Å; I404-V408 PolarHBondContact O-N 2.93Å
405A94.5Very high96.1Very high39 Ų3952.7 Ų52.732%0.32226%0.26SS..Hα-helixtrans-66.6-29.5-179.800000113.2G260 E401 A402 Y403G260-A405 VanDerWaalsContact CA-O 3.28Å; G260-A405 WeakPolarHBondContact CA-O 3.22Å; G260-A405 PolarHBondContact N-O 2.95Å; E401-A405 PolarHBondContact O-N 3.26Å; A402-A405 PolarHBondContact O-N 3.22Å; A402-A405 VanDerWaalsContact O-N 3.17Å; Y403-A405 VanDerWaalsContact C-N 3.34Å; Y403-A405 PolarHBondContact O-N 3.28Å
406E95.8Very high95.9Very high115 Ų11548.4 Ų48.454%0.53725%0.249SC..Hα-helixtrans-93.4-27.8-177.2-70.4171.4-172.200112.9Q218 P259 A402 Y403 I404Q218-E406 PolarHBondContact NE2-O 3.49Å; P259-E406 WeakPolarHBondContact CB-O 3.32Å; P259-E406 WeakPolarHBondContact CG-O 3.42Å; A402-E406 WeakPolarHBondContact O-CB 3.32Å; A402-E406 WeakPolarHBondContact O-CG 3.43Å; A402-E406 PolarHBondContact O-N 3.35Å; Y403-E406 PolarHBondContact O-N 2.91Å; I404-E406 VanDerWaalsContact C-N 3.27Å; I404-E406 PolarHBondContact O-N 2.9Å
407N97.2Very high95.6Very high5 Ų543.7 Ų43.73%0.02724%0.235CC..Hα-helixtrans-114.4-24.1-171.9-66.9-67.3000115.3D215 V216 Q218 Y403D215-N407 WeakPolarHBondContact OD1-CB 3.46Å; V216-N407 HydrophobicContact CG2-CB 4.28Å; V216-N407 WeakPolarHBondContact CG2-O 3.25Å; V216-N407 PolarHBondContact N-O 3.43Å; Q218-N407 WeakPolarHBondContact CB-OD1 3.08Å; Q218-N407 WeakPolarHBondContact CG-OD1 3.24Å; Q218-N407 PolarHBondContact N-OD1 2.71Å; Y403-N407 HydrophobicContact CD1-CB 4.16Å; Y403-N407 WeakPolarHBondContact CD2-ND2 3.48Å; Y403-N407 HydrophobicContact CE1-CB 3.86Å; Y403-N407 VanDerWaalsContact CE2-ND2 3.29Å; Y403-N407 WeakPolarHBondContact CE2-ND2 3.33Å; Y403-N407 VanDerWaalsContact O-CB 3.29Å; Y403-N407 WeakPolarHBondContact O-CB 3.33Å; Y403-N407 PolarHBondContact O-N 2.96Å; Y403-N407 PolarHBondContact O-ND2 3.35Å
408V97.6Very high95.3Very high2 Ų243 Ų431%0.01223%0.232CC..EExtended strand (participates in β ladder)trans-91.4129.4-175.2178.70000110.5L162 M213 L214 G260 L397 I404L162-V408 HydrophobicContact CD1-CG1 4.2Å; L162-V408 HydrophobicContact CD1-CG2 3.88Å; M213-V408 HydrophobicContact CG-CG1 3.73Å; M213-V408 HydrophobicContact SD-CG1 4.05Å; L214-V408 WeakPolarHBondContact O-CA 3.42Å; G260-V408 PolarHBondContact N-O 3.46Å; L397-V408 HydrophobicContact CD1-CG2 4.41Å; I404-V408 HydrophobicContact CB-CG2 4.46Å; I404-V408 HydrophobicContact CD1-CG2 3.81Å; I404-V408 HydrophobicContact CG2-CB 4.14Å; I404-V408 HydrophobicContact CG2-CG2 4.08Å; I404-V408 WeakPolarHBondContact O-CB 3.36Å; I404-V408 PolarHBondContact O-N 2.93Å
409L97.8Very high94.9Very high0 Ų037.3 Ų37.30%020%0.201CC..EExtended strand (participates in β ladder)trans-121.9154.9167.46390.8000110.6M213 L214 V216 I237 V257 S258 L411M213-L409 CarbonylContact C-O 3.58Å; M213-L409 WeakPolarHBondContact CA-O 3.31Å; L214-L409 HydrophobicContact CB-CD1 3.87Å; L214-L409 HydrophobicContact CB-CG 4.06Å; L214-L409 HydrophobicContact CD1-CD1 4.11Å; L214-L409 HydrophobicContact CG-CD1 4.42Å; L214-L409 PolarHBondContact N-O 3.05Å; L214-L409 PolarHBondContact O-N 3.05Å; V216-L409 HydrophobicContact CG1-CD2 3.53Å; V216-L409 HydrophobicContact CG1-CG 4.48Å; I237-L409 HydrophobicContact CD1-CD1 3.83Å; I237-L409 HydrophobicContact CD1-CD2 4.09Å; I237-L409 HydrophobicContact CG1-CD1 4.45Å; I237-L409 HydrophobicContact CG1-CD2 3.88Å; I237-L409 HydrophobicContact CG2-CD2 4.23Å; V257-L409 HydrophobicContact CG1-CD1 3.97Å; V257-L409 HydrophobicContact CG1-CD2 4.29Å; S258-L409 WeakPolarHBondContact O-CB 3.5Å; L409-L411 HydrophobicContact CD1-CB 4.43Å
410A97.6Very high94.6Very high2 Ų233.7 Ų33.72%0.01719%0.188CC..EExtended strand (participates in β ladder)trans-121143.6167.600000109.6I212 Y261 Q262 T263 I384I212-A410 CarbonylContact O-C 3.54Å; I212-A410 WeakPolarHBondContact O-CA 3.46Å; Y261-A410 PolarHBondContact O-N 2.92Å; Q262-A410 CarbonylContact C-O 3.54Å; Q262-A410 VanDerWaalsContact CA-O 3.29Å; Q262-A410 WeakPolarHBondContact CA-O 3.43Å; Q262-A410 HydrophobicContact CB-CB 3.88Å; Q262-A410 HydrophobicContact CG-CB 3.77Å; T263-A410 PolarHBondContact N-O 2.96Å; I384-A410 HydrophobicContact CD1-CB 4.24Å
411L97.9Very high94.5Very high0 Ų031.9 Ų31.90%017%0.171CC..EExtended strand (participates in β ladder)trans-137.1120.9-177.1177.167.2000109.7I212 V239 V257 T263 V265 L409 I413I212-L411 HydrophobicContact CD1-CB 4.41Å; I212-L411 HydrophobicContact CD1-CD2 4.05Å; I212-L411 HydrophobicContact CG1-CB 3.84Å; I212-L411 HydrophobicContact CG1-CD2 4.35Å; I212-L411 HydrophobicContact CG1-CG 4.47Å; I212-L411 PolarHBondContact N-O 3.29Å; I212-L411 PolarHBondContact O-N 2.85Å; V239-L411 HydrophobicContact CG1-CD2 4.21Å; V239-L411 HydrophobicContact CG2-CD2 3.77Å; V257-L411 HydrophobicContact CG1-CD1 4.46Å; V257-L411 HydrophobicContact CG2-CD1 4.06Å; T263-L411 HydrophobicContact CG2-CD1 4.24Å; T263-L411 WeakPolarHBondContact O-CA 3.21Å; V265-L411 HydrophobicContact CG2-CD1 3.78Å; L409-L411 HydrophobicContact CD1-CB 4.43Å; L411-I413 HydrophobicContact CD1-CG1 4.25Å; L411-I413 HydrophobicContact CD2-CD1 3.9Å; L411-I413 HydrophobicContact CD2-CG1 4.35Å; L411-I413 HydrophobicContact CG-CD1 4.17Å; L411-I413 HydrophobicContact CG-CG1 4.07Å
412D97.8Very high94.4Very high7 Ų728 Ų284%0.03715%0.154CC..EExtended strand (participates in β ladder)trans-113.1116.5176.8-65.7-79.5000109.5L210 D211 Q262 T263 F264 V265 F414L210-D412 CarbonylContact O-C 3.49Å; L210-D412 WeakPolarHBondContact O-CA 3.21Å; D211-D412 WeakPolarHBondContact CB-OD1 3.34Å; Q262-D412 WeakPolarHBondContact CG-OD2 3.47Å; Q262-D412 PolarHBondContact NE2-OD2 3.01Å; T263-D412 PolarHBondContact O-N 3.15Å; F264-D412 HydrophobicContact CD1-CB 3.74Å; F264-D412 WeakPolarHBondContact CD1-OD2 3.32Å; F264-D412 HydrophobicContact CE1-CB 4.31Å; F264-D412 VanDerWaalsContact CE1-OD2 3.29Å; F264-D412 WeakPolarHBondContact CE1-OD2 3.39Å; V265-D412 PolarHBondContact N-O 3.41Å; D412-F414 HydrophobicContact CB-CD1 4.32Å; D412-F414 HydrophobicContact CB-CE1 4.43Å
413I98Very high94.4Very high2 Ų226.8 Ų26.81%0.0114%0.141CC..EExtended strand (participates in β ladder)trans-116.1118.5176.5-60.4165.8000108.4F86 V89 G209 L210 V239 I241 V265 L411F86-I413 HydrophobicContact CZ-CB 4.31Å; F86-I413 HydrophobicContact CZ-CG2 3.98Å; F86-I413 WeakPolarHBondContact CZ-O 3.33Å; V89-I413 HydrophobicContact CB-CD1 4.26Å; V89-I413 HydrophobicContact CG1-CD1 3.4Å; V89-I413 VanDerWaalsContact CG1-CD1 3.4Å; V89-I413 HydrophobicContact CG2-CD1 3.81Å; V89-I413 HydrophobicContact CG2-CG2 4.46Å; G209-I413 CarbonylContact C-O 3.59Å; G209-I413 WeakPolarHBondContact CA-O 3.33Å; L210-I413 PolarHBondContact N-O 3.37Å; L210-I413 PolarHBondContact O-N 3.21Å; V239-I413 HydrophobicContact CG1-CD1 4.25Å; I241-I413 HydrophobicContact CD1-CD1 4.31Å; I241-I413 HydrophobicContact CD1-CG1 4.42Å; I241-I413 HydrophobicContact CD1-CG2 3.94Å; I241-I413 HydrophobicContact CG1-CD1 4.38Å; V265-I413 HydrophobicContact CB-CG1 4.08Å; V265-I413 HydrophobicContact CG2-CG1 4.33Å; L411-I413 HydrophobicContact CD1-CG1 4.25Å; L411-I413 HydrophobicContact CD2-CD1 3.9Å; L411-I413 HydrophobicContact CD2-CG1 4.35Å; L411-I413 HydrophobicContact CG-CD1 4.17Å; L411-I413 HydrophobicContact CG-CG1 4.07Å
414F97Very high94.4Very high24 Ų2428.9 Ų28.911%0.10515%0.152CC..EExtended strand (participates in β ladder)trans-147.5162.6-176.958.2-87.9000111.1G205 M206 F264 V265 C267 D412G205-F414 WeakPolarHBondContact O-CB 3.48Å; M206-F414 HydrophobicContact CB-CD1 3.97Å; M206-F414 HydrophobicContact CB-CE1 3.98Å; M206-F414 HydrophobicContact CB-CG 4.44Å; M206-F414 HydrophobicContact CB-CZ 4.47Å; F264-F414 HydrophobicContact CB-CE1 4.08Å; F264-F414 HydrophobicContact CD1-CE1 4.33Å; V265-F414 PolarHBondContact O-N 3.07Å; C267-F414 WeakPolarHBondContact CB-O 3.5Å; C267-F414 PolarHBondContact N-O 3.45Å; D412-F414 HydrophobicContact CB-CD1 4.32Å; D412-F414 HydrophobicContact CB-CE1 4.43Å
415F96Very high94.3Very high4 Ų430.5 Ų30.52%0.01816%0.16CC..EExtended strand (participates in β ladder)trans-84.2137.9169.1-70.3-73.6000110.8L84 F86 T201 G204 G205 C267 Q269 Y375L84-F415 HydrophobicContact CB-CE2 4.08Å; L84-F415 HydrophobicContact CB-CZ 4.38Å; L84-F415 HydrophobicContact CD1-CD1 4.33Å; L84-F415 HydrophobicContact CD1-CD2 4.45Å; L84-F415 HydrophobicContact CD1-CE1 4.45Å; L84-F415 HydrophobicContact CD1-CG 4.33Å; F86-F415 HydrophobicContact CD2-CD2 4.5Å; F86-F415 HydrophobicContact CD2-CE2 4.14Å; T201-F415 HydrophobicContact CG2-CD2 3.35Å; T201-F415 HydrophobicContact CG2-CE2 3.66Å; G204-F415 CarbonylContact C-O 3.59Å; G204-F415 WeakPolarHBondContact CA-O 3.29Å; G205-F415 PolarHBondContact N-O 2.82Å; C267-F415 HydrophobicContact CB-CD1 4.03Å; C267-F415 HydrophobicContact CB-CE1 4.29Å; C267-F415 VanDerWaalsContact O-CA 3.29Å; C267-F415 WeakPolarHBondContact O-CA 3.33Å; C267-F415 WeakPolarHBondContact O-CD1 3.21Å; Q269-F415 HydrophobicContact CB-CE1 4.09Å; Y375-F415 HydrophobicContact CD1-CE1 4.04Å; Y375-F415 HydrophobicContact CD1-CZ 4.41Å; Y375-F415 HydrophobicContact CE1-CE1 4.03Å; Y375-F415 AromaticContact CE1-CZ 3.99Å; Y375-F415 HydrophobicContact CE1-CZ 3.99Å
416E91.5Very high94.2Very high114 Ų11433.6 Ų33.653%0.53317%0.165SC..EExtended strand (participates in β ladder)trans-59.2-54.7176.5-170.2179.2156.100111.2S266 C267S266-E416 WeakPolarHBondContact OG-CB 3.24Å; C267-E416 PolarHBondContact O-N 2.91Å; C267-E416 VanDerWaalsContact O-N 3.1Å
417A87.7Confident94.1Very high38 Ų3832.1 Ų32.131%0.31416%0.157SC..EExtended strand (participates in β ladder)trans-137.8171.4174.100000109.2N419A417-N419 WeakPolarHBondContact CB-OD1 3.39Å; A417-N419 PolarHBondContact O-N 2.85Å; A417-N419 PolarHBondContact O-OD1 3.38Å
418L86.4Confident93.8Very high31 Ų3132.7 Ų32.716%0.16216%0.163CC..EExtended strand (participates in β ladder)trans-88.835.3176.9-60.1173.2000112.3S81 L84 T201 T202S81-L418 WeakPolarHBondContact CA-O 3.47Å; S81-L418 PolarHBondContact N-O 2.99Å; S81-L418 WeakPolarHBondContact O-CB 3.38Å; L84-L418 HydrophobicContact CD1-CD2 4.35Å; L84-L418 HydrophobicContact CG-CD2 4.43Å; T201-L418 HydrophobicContact CG2-CD2 4.22Å; T202-L418 WeakPolarHBondContact O-CD1 3.34Å
419N87.8Confident93.6Very high28 Ų2833.4 Ų33.415%0.1517%0.165CC..EExtended strand (participates in β ladder)trans-94.5152.7171.449.26.9000109.3E78 R79 A417E78-N419 HydrophobicContact CG-CB 4.06Å; E78-N419 PolarHBondContact OE1-ND2 2.63Å; R79-N419 CarbonylContact O-C 3.29Å; R79-N419 VanDerWaalsContact O-CA 3.24Å; R79-N419 WeakPolarHBondContact O-CA 3.2Å; A417-N419 WeakPolarHBondContact CB-OD1 3.39Å; A417-N419 PolarHBondContact O-N 2.85Å; A417-N419 PolarHBondContact O-OD1 3.38Å
420Y88.9Confident93.3Very high44 Ų4438.1 Ų38.117%0.17319%0.187CC..EExtended strand (participates in β ladder)trans-128.5141.516567-81.8000108.8R79 L84 Q269 Q271 T422R79-Y420 HydrophobicContact CB-CD1 4.12Å; R79-Y420 HydrophobicContact CB-CE1 3.58Å; R79-Y420 HydrophobicContact CB-CE2 4.06Å; R79-Y420 WeakPolarHBondContact CD-OH 3.37Å; R79-Y420 PolarHBondContact N-O 3.11Å; R79-Y420 WeakPolarHBondContact O-CD1 3.23Å; R79-Y420 PolarHBondContact O-N 2.98Å; L84-Y420 HydrophobicContact CD2-CD1 4.27Å; Q269-Y420 WeakPolarHBondContact O-CA 3.32Å; Q271-Y420 HydrophobicContact CG-CD2 4.3Å; Y420-T422 HydrophobicContact CD2-CG2 3.72Å; Y420-T422 HydrophobicContact CE2-CG2 3.42Å; Y420-T422 VanDerWaalsContact CE2-CG2 3.42Å
421E93Very high93Very high34 Ų3442 Ų4216%0.15921%0.206CC..EExtended strand (participates in β ladder)trans-93130.6178.6-173.6179-162.500108.6L76 D77 Q269 Q270 Q271 V423L76-E421 HydrophobicContact CD1-CG 3.81Å; L76-E421 WeakPolarHBondContact CD1-OE1 3.32Å; L76-E421 WeakPolarHBondContact CD2-OE1 3.38Å; L76-E421 HydrophobicContact CG-CG 4.37Å; L76-E421 WeakPolarHBondContact CG-OE1 3.21Å; D77-E421 CarbonylContact O-C 3.55Å; Q269-E421 PolarHBondContact O-N 3.12Å; Q270-E421 CarbonylContact C-O 3.54Å; Q270-E421 VanDerWaalsContact CA-O 3.28Å; Q270-E421 WeakPolarHBondContact CA-O 3.47Å; Q270-E421 HydrophobicContact CG-CB 4.23Å; Q270-E421 PolarHBondContact NE2-OE2 3.35Å; Q271-E421 PolarHBondContact N-O 2.85Å; E421-V423 HydrophobicContact CG-CG2 4.38Å
422T93.6Very high92.8Very high15 Ų1545.6 Ų45.69%0.09223%0.231CC..EExtended strand (participates in β ladder)trans-105.9121.9171.958.30000108.9D77 Q271 Y420D77-T422 WeakPolarHBondContact CB-OG1 3.37Å; D77-T422 PolarHBondContact N-O 2.84Å; D77-T422 PolarHBondContact O-N 2.84Å; D77-T422 PolarHBondContact O-OG1 3.18Å; Q271-T422 HydrophobicContact CB-CG2 4.33Å; Q271-T422 WeakPolarHBondContact O-CA 3.38Å; Y420-T422 HydrophobicContact CD2-CG2 3.72Å; Y420-T422 HydrophobicContact CE2-CG2 3.42Å; Y420-T422 VanDerWaalsContact CE2-CG2 3.42Å
423V94.5Very high92.5Very high30 Ų3049.6 Ų49.618%0.18225%0.249CC..EExtended strand (participates in β ladder)trans-110.9104.2174.6-170.70000107.2T74 L76 Q271 L272 S273 E421T74-V423 HydrophobicContact CG2-CG1 3.51Å; L76-V423 HydrophobicContact CD1-CB 4.47Å; L76-V423 HydrophobicContact CD1-CG2 3.7Å; Q271-V423 PolarHBondContact O-N 3.17Å; L272-V423 WeakPolarHBondContact CA-O 3.3Å; L272-V423 HydrophobicContact CD2-CB 3.62Å; L272-V423 HydrophobicContact CD2-CG1 4.34Å; L272-V423 HydrophobicContact CD2-CG2 3.66Å; S273-V423 PolarHBondContact N-O 3.47Å; E421-V423 HydrophobicContact CG-CG2 4.38Å
424E94.8Very high92.3Very high72 Ų7250.2 Ų50.234%0.33625%0.253SS..EExtended strand (participates in β ladder)trans-118.7127.1-174.5-177.4179.5-162.400111.1A75 S273 K426A75-E424 PolarHBondContact N-O 2.84Å; A75-E424 PolarHBondContact O-N 3.05Å; S273-E424 WeakPolarHBondContact O-CA 3.43Å; E424-K426 VanDerWaalsContact CD-CE 3.44Å; E424-K426 HydrophobicContact CG-CG 4.11Å; E424-K426 WeakPolarHBondContact OE2-CE 3.26Å; E424-K426 IonicContact OE2-NZ 2.71Å; E424-K426 PolarHBondContact OE2-NZ 2.83Å
425Q94.3Very high92.1Very high35 Ų3555 Ų5516%0.16428%0.279CS..EExtended strand (participates in β ladder)trans-78.4121.2166.8-70-174.4-31.400110.2H72 Q73 S273 F274 L275H72-Q425 PolarHBondContact NE2-NE2 3.48Å; Q73-Q425 WeakPolarHBondContact O-CA 3.48Å; S273-Q425 PolarHBondContact O-N 3.27Å; F274-Q425 HydrophobicContact CD1-CG 4.19Å; L275-Q425 HydrophobicContact CB-CB 4.49Å; L275-Q425 HydrophobicContact CD1-CB 4.13Å; L275-Q425 HydrophobicContact CG-CB 3.88Å; L275-Q425 VanDerWaalsContact CG-O 3.27Å; L275-Q425 WeakPolarHBondContact CG-O 3.36Å; L275-Q425 VanDerWaalsContact N-OE1 3.11Å
426K93.4Very high92Very high103 Ų10357 Ų5745%0.44830%0.3SS..EExtended strand (participates in β ladder)trans-113.1148.4175.6-65.4-174.4179.21770110.2H72 Q73 A75 E424 A428H72-K426 CarbonylContact C-O 3.53Å; H72-K426 VanDerWaalsContact CA-O 3.25Å; H72-K426 WeakPolarHBondContact CA-O 3.36Å; H72-K426 WeakPolarHBondContact CB-O 3.28Å; Q73-K426 PolarHBondContact N-O 3.27Å; Q73-K426 PolarHBondContact O-N 2.89Å; A75-K426 HydrophobicContact CB-CD 4.11Å; E424-K426 VanDerWaalsContact CD-CE 3.44Å; E424-K426 HydrophobicContact CG-CG 4.11Å; E424-K426 WeakPolarHBondContact OE2-CE 3.26Å; E424-K426 IonicContact OE2-NZ 2.71Å; E424-K426 PolarHBondContact OE2-NZ 2.83Å; K426-A428 PolarHBondContact O-N 2.93Å
427K93.3Very high92.1Very high85 Ų8554.5 Ų54.537%0.3729%0.291SS..EExtended strand (participates in β ladder)trans-63.3126.2175.4-61.9177.4-174.8178.40107.7L275 W279 Y429 E430L275-K427 HydrophobicContact CD1-CG 3.99Å; W279-K427 HydrophobicContact CD2-CD 4.22Å; W279-K427 HydrophobicContact CD2-CG 4.34Å; W279-K427 HydrophobicContact CG-CG 4.21Å; W279-K427 HydrophobicContact CZ2-CD 4.05Å; K427-Y429 PolarHBondContact O-N 3.06Å; K427-E430 HydrophobicContact CB-CG 4.29Å
428A91.1Very high92.4Very high16 Ų1654.7 Ų54.713%0.13229%0.286CS..SBendtrans-72-24.6-178.700000111.9H71 Q73 K426H71-A428 VanDerWaalsContact C-CB 3.48Å; H71-A428 HydrophobicContact CB-CB 3.8Å; H71-A428 WeakPolarHBondContact O-CB 3.36Å; H71-A428 PolarHBondContact O-N 3.36Å; Q73-A428 HydrophobicContact CG-CB 3.78Å; K426-A428 PolarHBondContact O-N 2.93Å
429Y92Very high92.7Very high18 Ų1854.8 Ų54.87%0.07130%0.295CS..SBendtrans-146.4117.8-176.8-161.4-118.5000110.1Y66 Y67 K427 E433 L434 D437Y66-Y429 HydrophobicContact CD1-CD1 4.19Å; Y66-Y429 HydrophobicContact CD1-CG 4.2Å; Y66-Y429 HydrophobicContact CE1-CD2 4.49Å; Y66-Y429 HydrophobicContact CE1-CG 4.18Å; Y67-Y429 AromaticContact CD2-CD1 3.84Å; Y67-Y429 HydrophobicContact CD2-CD1 3.84Å; Y67-Y429 HydrophobicContact CD2-CE1 4.46Å; Y67-Y429 HydrophobicContact CG-CD1 4.38Å; K427-Y429 PolarHBondContact O-N 3.06Å; Y429-E433 WeakPolarHBondContact CA-OE2 3.4Å; Y429-E433 HydrophobicContact CD2-CB 3.84Å; Y429-E433 WeakPolarHBondContact CD2-OE2 3.33Å; Y429-E433 HydrophobicContact CE2-CB 3.63Å; Y429-L434 HydrophobicContact CE1-CB 3.67Å; Y429-L434 HydrophobicContact CE1-CD1 3.84Å; Y429-L434 HydrophobicContact CE1-CG 4.33Å; Y429-L434 WeakPolarHBondContact OH-CA 3.31Å; Y429-D437 WeakPolarHBondContact CE2-OD2 3.49Å; Y429-D437 WeakPolarHBondContact OH-CB 3.36Å; Y429-D437 VanDerWaalsContact OH-CG 3.28Å; Y429-D437 PolarHBondContact OH-OD2 2.88Å
430E91.7Very high93Very high98 Ų9855.7 Ų55.746%0.45831%0.31SS..  trans-97.4168.5-178.3-67.3-163.516100112.9K427 S432 E433 L434K427-E430 HydrophobicContact CB-CG 4.29Å; E430-S432 VanDerWaalsContact C-N 3.27Å; E430-S432 WeakPolarHBondContact CB-OG 3.37Å; E430-S432 PolarHBondContact O-N 3.15Å; E430-S432 PolarHBondContact OE2-OG 3.06Å; E430-E433 HydrophobicContact CB-CG 4.47Å; E430-E433 PolarHBondContact N-OE2 3.5Å; E430-E433 PolarHBondContact O-N 3.39Å; E430-L434 PolarHBondContact O-N 3.24Å
431M91.8Very high93.2Very high85 Ų8554.8 Ų54.842%0.41931%0.308SS..Hα-helixtrans-65.7-32.8176.3-65.9-86.264.500113Y67 E433 L434 L435Y67-M431 HydrophobicContact CD1-CE 3.65Å; Y67-M431 HydrophobicContact CD2-CE 3.62Å; Y67-M431 HydrophobicContact CE1-CE 3.22Å; Y67-M431 HydrophobicContact CE1-SD 3.82Å; Y67-M431 HydrophobicContact CE2-CE 3.22Å; Y67-M431 HydrophobicContact CE2-CG 4.26Å; Y67-M431 HydrophobicContact CE2-SD 4.09Å; Y67-M431 HydrophobicContact CG-CE 3.85Å; Y67-M431 WeakPolarHBondContact OH-CE 3.29Å; Y67-M431 WeakPolarHBondContact OH-CG 3.49Å; Y67-M431 PolarHBondContact OH-SD 3.44Å; M431-E433 VanDerWaalsContact C-N 3.34Å; M431-L434 HydrophobicContact CE-CB 3.98Å; M431-L434 HydrophobicContact CE-CD2 3.38Å; M431-L434 HydrophobicContact CE-CG 4.31Å; M431-L434 PolarHBondContact O-N 3.46Å; M431-L435 VanDerWaalsContact O-CG 3.31Å; M431-L435 WeakPolarHBondContact O-CG 3.43Å; M431-L435 PolarHBondContact O-N 3.22Å
432S93.1Very high93.1Very high74 Ų7454.4 Ų54.452%0.51731%0.306SS..Hα-helixtrans-58.8-46.2172.444.70000111E430 L435 G436E430-S432 VanDerWaalsContact C-N 3.27Å; E430-S432 WeakPolarHBondContact CB-OG 3.37Å; E430-S432 PolarHBondContact O-N 3.15Å; E430-S432 PolarHBondContact OE2-OG 3.06Å; S432-L435 PolarHBondContact O-N 3.25Å; S432-G436 PolarHBondContact O-N 3.24Å
433E92.5Very high93Very high91 Ų9155.4 Ų55.443%0.42532%0.32SS..Hα-helixtrans-67.9-41.7178.9-62180169.300111.8Y429 E430 M431 L435 G436 D437Y429-E433 WeakPolarHBondContact CA-OE2 3.4Å; Y429-E433 HydrophobicContact CD2-CB 3.84Å; Y429-E433 WeakPolarHBondContact CD2-OE2 3.33Å; Y429-E433 HydrophobicContact CE2-CB 3.63Å; E430-E433 HydrophobicContact CB-CG 4.47Å; E430-E433 PolarHBondContact N-OE2 3.5Å; E430-E433 PolarHBondContact O-N 3.39Å; M431-E433 VanDerWaalsContact C-N 3.34Å; E433-L435 PolarHBondContact O-N 2.93Å; E433-G436 PolarHBondContact O-N 2.89Å; E433-D437 PolarHBondContact O-N 3.23Å
434L93.6Very high92.9Very high15 Ų1560.7 Ų60.78%0.07935%0.346CS..Hα-helixtrans-58.3-47173.7-178.767.1000112.1R63 V64 Y67 Y429 E430 M431 G436 D437 I438R63-L434 HydrophobicContact CB-CD1 4Å; V64-L434 HydrophobicContact CG2-CD1 4.29Å; Y67-L434 HydrophobicContact CD1-CD2 4.13Å; Y67-L434 HydrophobicContact CG-CD2 4.02Å; Y429-L434 HydrophobicContact CE1-CB 3.67Å; Y429-L434 HydrophobicContact CE1-CD1 3.84Å; Y429-L434 HydrophobicContact CE1-CG 4.33Å; Y429-L434 WeakPolarHBondContact OH-CA 3.31Å; E430-L434 PolarHBondContact O-N 3.24Å; M431-L434 HydrophobicContact CE-CB 3.98Å; M431-L434 HydrophobicContact CE-CD2 3.38Å; M431-L434 HydrophobicContact CE-CG 4.31Å; M431-L434 PolarHBondContact O-N 3.46Å; L434-G436 VanDerWaalsContact C-N 3.31Å; L434-D437 PolarHBondContact O-N 3.46Å; L434-I438 HydrophobicContact CD1-CD1 3.92Å; L434-I438 HydrophobicContact CD1-CG1 4.26Å; L434-I438 HydrophobicContact CD2-CD1 4.45Å; L434-I438 HydrophobicContact CG-CD1 3.85Å; L434-I438 HydrophobicContact CG-CG1 4.49Å; L434-I438 WeakPolarHBondContact O-CB 3.25Å; L434-I438 VanDerWaalsContact O-CG1 3.25Å; L434-I438 WeakPolarHBondContact O-CG1 3.42Å; L434-I438 PolarHBondContact O-N 3.32Å
435L92.8Very high92.7Very high124 Ų12459.9 Ų59.965%0.64934%0.342SS*.Hα-helixtrans-66.3-36.2178.2-69.2173.7000111.6M431 S432 E433 G439M431-L435 VanDerWaalsContact O-CG 3.31Å; M431-L435 WeakPolarHBondContact O-CG 3.43Å; M431-L435 PolarHBondContact O-N 3.22Å; S432-L435 PolarHBondContact O-N 3.25Å; E433-L435 PolarHBondContact O-N 2.93Å; L435-G439 PolarHBondContact O-N 3.44Å
436G94Very high92.4Very high46 Ų4659 Ų5947%0.47434%0.338SS..Hα-helixtrans-60.5-48.8173.200000112.5S432 E433 L434 G439 G440S432-G436 PolarHBondContact O-N 3.24Å; E433-G436 PolarHBondContact O-N 2.89Å; L434-G436 VanDerWaalsContact C-N 3.31Å; G436-G439 PolarHBondContact O-N 2.92Å; G436-G440 PolarHBondContact O-N 2.85Å
437D94.4Very high92Very high63 Ų6355 Ų5534%0.33733%0.326SS..Hα-helixtrans-67-44.6179.9-77.7-9000112.1R63 Y429 E433 L434 G439 G440 Q441R63-D437 HydrophobicContact CG-CB 4.42Å; Y429-D437 WeakPolarHBondContact CE2-OD2 3.49Å; Y429-D437 WeakPolarHBondContact OH-CB 3.36Å; Y429-D437 VanDerWaalsContact OH-CG 3.28Å; Y429-D437 PolarHBondContact OH-OD2 2.88Å; E433-D437 PolarHBondContact O-N 3.23Å; L434-D437 PolarHBondContact O-N 3.46Å; D437-G439 VanDerWaalsContact C-N 3.35Å; D437-G439 PolarHBondContact O-N 3.12Å; D437-G440 PolarHBondContact O-N 3.38Å; D437-Q441 WeakPolarHBondContact O-CB 3.4Å; D437-Q441 VanDerWaalsContact O-CG 3.24Å; D437-Q441 WeakPolarHBondContact O-CG 3.39Å; D437-Q441 PolarHBondContact O-N 3.45Å
438I93.9Very high91.7Very high42 Ų4251.5 Ų51.522%0.21531%0.312CS..Hα-helixtrans-61.2-46.1175.6-67.1172.3000110.2V60 V64 L434 M442V60-I438 HydrophobicContact CG1-CD1 4.29Å; V60-I438 HydrophobicContact CG1-CG1 4.19Å; V60-I438 HydrophobicContact CG2-CG1 4.29Å; V60-I438 HydrophobicContact CG2-CG2 4.31Å; V64-I438 HydrophobicContact CG2-CD1 4.43Å; L434-I438 HydrophobicContact CD1-CD1 3.92Å; L434-I438 HydrophobicContact CD1-CG1 4.26Å; L434-I438 HydrophobicContact CD2-CD1 4.45Å; L434-I438 HydrophobicContact CG-CD1 3.85Å; L434-I438 HydrophobicContact CG-CG1 4.49Å; L434-I438 WeakPolarHBondContact O-CB 3.25Å; L434-I438 VanDerWaalsContact O-CG1 3.25Å; L434-I438 WeakPolarHBondContact O-CG1 3.42Å; L434-I438 PolarHBondContact O-N 3.32Å; I438-M442 WeakPolarHBondContact O-CB 3.44Å; I438-M442 PolarHBondContact O-N 2.9Å
439G92.8Very high91.6Very high33 Ų3353.1 Ų53.134%0.3432%0.323SS..Hα-helixtrans-62.6-44.1178.400000112.6L435 G436 D437 M442 G443L435-G439 PolarHBondContact O-N 3.44Å; G436-G439 PolarHBondContact O-N 2.92Å; D437-G439 VanDerWaalsContact C-N 3.35Å; D437-G439 PolarHBondContact O-N 3.12Å; G439-M442 PolarHBondContact O-N 2.88Å; G439-G443 PolarHBondContact O-N 3.09Å
440G93.1Very high91.2Very high46 Ų4658.2 Ų58.247%0.47435%0.351SS..Hα-helixtrans-63.6-46.1177.400000112.6G436 D437 G443 L444G436-G440 PolarHBondContact O-N 2.85Å; D437-G440 PolarHBondContact O-N 3.38Å; G440-G443 PolarHBondContact O-N 3.4Å; G440-L444 WeakPolarHBondContact O-CB 3.25Å; G440-L444 PolarHBondContact O-N 2.88Å
441Q93Very high91Very high26 Ų2659 Ų5912%0.12136%0.357CS..Hα-helixtrans-65.7-39.4176.8-70.21743.900112F56 Q59 D437 L444 F445F56-Q441 HydrophobicContact CD2-CB 3.92Å; F56-Q441 HydrophobicContact CE2-CB 4.1Å; Q59-Q441 VanDerWaalsContact OE1-CD 3.27Å; Q59-Q441 VanDerWaalsContact OE1-NE2 3.11Å; D437-Q441 WeakPolarHBondContact O-CB 3.4Å; D437-Q441 VanDerWaalsContact O-CG 3.24Å; D437-Q441 WeakPolarHBondContact O-CG 3.39Å; D437-Q441 PolarHBondContact O-N 3.45Å; Q441-L444 PolarHBondContact O-N 3.3Å; Q441-F445 HydrophobicContact CB-CD2 4.34Å; Q441-F445 WeakPolarHBondContact O-CD2 3.34Å; Q441-F445 PolarHBondContact O-N 2.87Å
442M91.6Very high90.7Very high25 Ų2555 Ų5512%0.12334%0.338CS..Hα-helixtrans-62.2-44.7176.5-177.8177.86000111.3F56 I438 G439 I446 G447 A448 I453F56-M442 HydrophobicContact CD2-CB 4.43Å; F56-M442 VanDerWaalsContact CE2-CA 3.4Å; F56-M442 HydrophobicContact CE2-CB 3.58Å; F56-M442 HydrophobicContact CE2-CG 4.37Å; F56-M442 VanDerWaalsContact CE2-N 3.33Å; F56-M442 HydrophobicContact CZ-CB 3.83Å; F56-M442 HydrophobicContact CZ-CG 4.21Å; I438-M442 WeakPolarHBondContact O-CB 3.44Å; I438-M442 PolarHBondContact O-N 2.9Å; G439-M442 PolarHBondContact O-N 2.88Å; M442-I446 WeakPolarHBondContact O-CB 3.44Å; M442-I446 PolarHBondContact O-N 3.25Å; M442-G447 PolarHBondContact O-N 2.83Å; M442-A448 HydrophobicContact CG-CB 3.71Å; M442-A448 PolarHBondContact O-N 3.08Å; M442-A448 HydrophobicContact SD-CB 4.13Å; M442-I453 HydrophobicContact CE-CD1 4.35Å; M442-I453 HydrophobicContact SD-CD1 3.77Å; M442-I453 HydrophobicContact SD-CG1 4.21Å
443G92Very high90.4Very high37 Ų3754.8 Ų54.838%0.38133%0.33SS..Hα-helixtrans-63.9-40.217500000112.8G439 G440 G447G439-G443 PolarHBondContact O-N 3.09Å; G440-G443 PolarHBondContact O-N 3.4Å; G443-G447 VanDerWaalsContact O-CA 3.23Å; G443-G447 WeakPolarHBondContact O-CA 3.28Å; G443-G447 PolarHBondContact O-N 3.45Å; G443-G447 VanDerWaalsContact O-N 3.16Å
444L91.4Very high90.1Very high140 Ų14055 Ų5573%0.73333%0.334SS*.Hα-helixtrans-72.3-48.3-177-177.863.2000113.6G440 Q441G440-L444 WeakPolarHBondContact O-CB 3.25Å; G440-L444 PolarHBondContact O-N 2.88Å; Q441-L444 PolarHBondContact O-N 3.3Å
445F89.8Confident89.8Confident55 Ų5557.7 Ų57.724%0.24135%0.346CS..Hα-helixtrans-85.5-37.6-173.1-73.7-70.7000113.4S52 T55 F56 Q441S52-F445 WeakPolarHBondContact CB-O 3.49Å; T55-F445 HydrophobicContact CG2-CD1 4.3Å; T55-F445 HydrophobicContact CG2-CE1 3.65Å; T55-F445 HydrophobicContact CG2-CE2 4.38Å; T55-F445 HydrophobicContact CG2-CZ 3.72Å; F56-F445 HydrophobicContact CB-CB 3.99Å; F56-F445 HydrophobicContact CB-CD2 4.26Å; F56-F445 HydrophobicContact CB-CG 4.3Å; Q441-F445 HydrophobicContact CB-CD2 4.34Å; Q441-F445 WeakPolarHBondContact O-CD2 3.34Å; Q441-F445 PolarHBondContact O-N 2.87Å
446I88.3Confident89.4Confident18 Ų1854.4 Ų54.49%0.09233%0.329CS..Hα-helixtrans-110.2-19.4-170-61.2176.3000111.1M26 H27 V53 F56 M442 A448M26-I446 HydrophobicContact CG-CG2 3.37Å; M26-I446 HydrophobicContact SD-CG2 3.51Å; M26-I446 VanDerWaalsContact SD-CG2 3.51Å; H27-I446 WeakPolarHBondContact CB-O 3.29Å; H27-I446 PolarHBondContact N-O 2.95Å; V53-I446 HydrophobicContact CG2-CD1 4.02Å; V53-I446 HydrophobicContact CG2-CG1 4.17Å; F56-I446 HydrophobicContact CB-CD1 4.07Å; F56-I446 HydrophobicContact CB-CG1 4.42Å; F56-I446 HydrophobicContact CD1-CD1 3.39Å; F56-I446 HydrophobicContact CE1-CD1 3.92Å; F56-I446 HydrophobicContact CG-CD1 3.74Å; F56-I446 HydrophobicContact CG-CG1 4.44Å; M442-I446 WeakPolarHBondContact O-CB 3.44Å; M442-I446 PolarHBondContact O-N 3.25Å; I446-A448 HydrophobicContact CB-CB 4.19Å; I446-A448 HydrophobicContact CG2-CB 3.64Å; I446-A448 PolarHBondContact O-N 2.96Å
447G86.6Confident89Confident18 Ų1856.4 Ų56.419%0.18633%0.328CS..  trans67.519-170.600000112.5M442 G443M442-G447 PolarHBondContact O-N 2.83Å; G443-G447 VanDerWaalsContact O-CA 3.23Å; G443-G447 WeakPolarHBondContact O-CA 3.28Å; G443-G447 PolarHBondContact O-N 3.45Å; G443-G447 VanDerWaalsContact O-N 3.16Å
448A86.6Confident88.7Confident11 Ų1158.3 Ų58.39%0.09134%0.338CS..  trans-93.2151.6-177.700000111.3M442 I446 T452M442-A448 HydrophobicContact CG-CB 3.71Å; M442-A448 PolarHBondContact O-N 3.08Å; M442-A448 HydrophobicContact SD-CB 4.13Å; I446-A448 HydrophobicContact CB-CB 4.19Å; I446-A448 HydrophobicContact CG2-CB 3.64Å; I446-A448 PolarHBondContact O-N 2.96Å; A448-T452 HydrophobicContact CB-CG2 3.78Å
449S88.1Confident88.3Confident51 Ų5157.8 Ų57.836%0.35733%0.333SS..  trans-123.8179.4171.669.90000110.1L451 T452 I453S449-L451 PolarHBondContact O-N 2.96Å; S449-L451 PolarHBondContact OG-N 3.42Å; S449-T452 PolarHBondContact N-OG1 2.94Å; S449-T452 WeakPolarHBondContact O-CB 3.31Å; S449-T452 PolarHBondContact O-N 3.32Å; S449-T452 PolarHBondContact OG-OG1 3.48Å; S449-I453 PolarHBondContact O-N 3.01Å
450L85Confident87.9Confident124 Ų12460.7 Ų60.765%0.64934%0.341SS*.Hα-helixtrans-55.1-34.6171-17762.8000112I453 L454L450-I453 WeakPolarHBondContact O-CB 3.45Å; L450-I453 PolarHBondContact O-N 3.42Å; L450-L454 PolarHBondContact O-N 2.87Å; L450-L454 VanDerWaalsContact O-N 3.15Å
451L86.5Confident87.5Confident114 Ų11462.4 Ų62.460%0.59735%0.345SS*.Hα-helixtrans-66.4-38.1177.1-62.3176.9000111.7S449 I453 L454 E455S449-L451 PolarHBondContact O-N 2.96Å; S449-L451 PolarHBondContact OG-N 3.42Å; L451-I453 VanDerWaalsContact C-N 3.28Å; L451-I453 PolarHBondContact O-N 3.25Å; L451-L454 HydrophobicContact CD2-CD1 4.39Å; L451-L454 WeakPolarHBondContact O-CB 3.27Å; L451-L454 PolarHBondContact O-N 3.1Å; L451-L454 VanDerWaalsContact O-N 3.13Å; L451-E455 WeakPolarHBondContact O-CG 3.46Å; L451-E455 PolarHBondContact O-N 3.15Å
452T86.3Confident87.1Confident1 Ų164.6 Ų64.61%0.00636%0.355CS..Hα-helixtrans-61.9-36.7175.2-44.40000111.8S25 M26 A448 S449 E455 I456S25-T452 WeakPolarHBondContact OG-CA 3.46Å; S25-T452 VanDerWaalsContact OG-CB 3.26Å; S25-T452 WeakPolarHBondContact OG-CB 3.28Å; S25-T452 VanDerWaalsContact OG-CG2 3.28Å; S25-T452 WeakPolarHBondContact OG-CG2 3.43Å; S25-T452 PolarHBondContact OG-OG1 3.45Å; M26-T452 HydrophobicContact CB-CG2 4.02Å; A448-T452 HydrophobicContact CB-CG2 3.78Å; S449-T452 PolarHBondContact N-OG1 2.94Å; S449-T452 WeakPolarHBondContact O-CB 3.31Å; S449-T452 PolarHBondContact O-N 3.32Å; S449-T452 PolarHBondContact OG-OG1 3.48Å; T452-E455 PolarHBondContact O-N 2.86Å; T452-I456 HydrophobicContact CG2-CD1 4.39Å; T452-I456 VanDerWaalsContact O-CG1 3.29Å; T452-I456 WeakPolarHBondContact O-CG1 3.38Å; T452-I456 PolarHBondContact O-N 3.37Å
453I85.3Confident86.7Confident71 Ų7164.6 Ų64.636%0.36436%0.356SS..Hα-helixtrans-64.9-44.5174.2-63.1172.5000110.3M442 S449 L450 L451 I456 L457M442-I453 HydrophobicContact CE-CD1 4.35Å; M442-I453 HydrophobicContact SD-CD1 3.77Å; M442-I453 HydrophobicContact SD-CG1 4.21Å; S449-I453 PolarHBondContact O-N 3.01Å; L450-I453 WeakPolarHBondContact O-CB 3.45Å; L450-I453 PolarHBondContact O-N 3.42Å; L451-I453 VanDerWaalsContact C-N 3.28Å; L451-I453 PolarHBondContact O-N 3.25Å; I453-I456 PolarHBondContact O-N 3.37Å; I453-L457 HydrophobicContact CG2-CD1 4.07Å; I453-L457 HydrophobicContact CG2-CG 4.39Å; I453-L457 WeakPolarHBondContact O-CG 3.46Å; I453-L457 PolarHBondContact O-N 3.1Å
454L86.7Confident86.2Confident95 Ų9569.6 Ų69.650%0.49737%0.368SS..Hα-helixtrans-63-40176.8-66.1175.4000111.9L450 L451 I456 L457 D458L450-L454 PolarHBondContact O-N 2.87Å; L450-L454 VanDerWaalsContact O-N 3.15Å; L451-L454 HydrophobicContact CD2-CD1 4.39Å; L451-L454 WeakPolarHBondContact O-CB 3.27Å; L451-L454 PolarHBondContact O-N 3.1Å; L451-L454 VanDerWaalsContact O-N 3.13Å; L454-I456 VanDerWaalsContact C-N 3.34Å; L454-I456 PolarHBondContact O-N 2.94Å; L454-L457 PolarHBondContact O-N 3.39Å; L454-D458 WeakPolarHBondContact O-CB 3.27Å; L454-D458 PolarHBondContact O-N 3.47Å
455E86.9Confident85.7Confident71 Ų7168.3 Ų68.333%0.33235%0.353SS..Hα-helixtrans-58.7-43.7173.3-73.6170.1-172.800111.8F20 S25 L451 T452 Y459F20-E455 WeakPolarHBondContact CE2-O 3.44Å; S25-E455 PolarHBondContact N-OE2 3.29Å; S25-E455 VanDerWaalsContact N-OE2 3.15Å; S25-E455 PolarHBondContact OG-OE2 3.46Å; L451-E455 WeakPolarHBondContact O-CG 3.46Å; L451-E455 PolarHBondContact O-N 3.15Å; T452-E455 PolarHBondContact O-N 2.86Å; E455-Y459 WeakPolarHBondContact O-CB 3.18Å; E455-Y459 PolarHBondContact O-N 3.38Å
456I85.1Confident85.2Confident56 Ų5669 Ų6929%0.28736%0.359SS..Hα-helixtrans-66.3-43.4176.9-67.5165.2000110.8F20 T452 I453 L454 Y459 L460F20-I456 HydrophobicContact CE1-CG1 4.4Å; F20-I456 HydrophobicContact CZ-CB 4.46Å; F20-I456 HydrophobicContact CZ-CG1 3.91Å; T452-I456 HydrophobicContact CG2-CD1 4.39Å; T452-I456 VanDerWaalsContact O-CG1 3.29Å; T452-I456 WeakPolarHBondContact O-CG1 3.38Å; T452-I456 PolarHBondContact O-N 3.37Å; I453-I456 PolarHBondContact O-N 3.37Å; L454-I456 VanDerWaalsContact C-N 3.34Å; L454-I456 PolarHBondContact O-N 2.94Å; I456-Y459 PolarHBondContact O-N 2.98Å; I456-L460 HydrophobicContact CG2-CD1 3.97Å; I456-L460 HydrophobicContact CG2-CG 4.35Å; I456-L460 WeakPolarHBondContact O-CB 3.46Å; I456-L460 VanDerWaalsContact O-CG 3.25Å; I456-L460 WeakPolarHBondContact O-CG 3.32Å; I456-L460 PolarHBondContact O-N 3.32Å
457L86.5Confident84.4Confident88 Ų8875.5 Ų75.546%0.46139%0.387SS..Hα-helixtrans-64.5-42.5178.1-72.5174.3000111.9I453 L454 L460 C461I453-L457 HydrophobicContact CG2-CD1 4.07Å; I453-L457 HydrophobicContact CG2-CG 4.39Å; I453-L457 WeakPolarHBondContact O-CG 3.46Å; I453-L457 PolarHBondContact O-N 3.1Å; L454-L457 PolarHBondContact O-N 3.39Å; L457-L460 PolarHBondContact O-N 3.39Å; L457-C461 WeakPolarHBondContact O-CB 3.23Å; L457-C461 PolarHBondContact O-N 3.47Å; L457-C461 PolarHBondContact O-SG 3.4Å; L457-C461 VanDerWaalsContact O-SG 3.35Å
458D87.4Confident83.6Confident103 Ų10377.3 Ų77.355%0.55139%0.394SS*.Hα-helixtrans-58.8-50.3175.6-172.854.1000110.5L454 L460 C461 E462L454-D458 WeakPolarHBondContact O-CB 3.27Å; L454-D458 PolarHBondContact O-N 3.47Å; D458-L460 PolarHBondContact O-N 3.02Å; D458-C461 WeakPolarHBondContact O-CB 3.4Å; D458-C461 PolarHBondContact O-N 2.96Å; D458-C461 VanDerWaalsContact O-N 3.12Å; D458-E462 WeakPolarHBondContact O-CG 3.08Å; D458-E462 PolarHBondContact O-N 3.39Å
459Y84.9Confident82.4Confident30 Ų3081.4 Ų81.412%0.11841%0.414CS..Hα-helixtrans-59.1-43.2175176.6-101.3000113S15 I17 F20 E455 I456 C461 E462 V463S15-Y459 PolarHBondContact O-OH 3.06Å; I17-Y459 WeakPolarHBondContact CA-OH 3.37Å; I17-Y459 HydrophobicContact CD1-CE1 3.95Å; I17-Y459 PolarHBondContact N-OH 2.84Å; F20-Y459 HydrophobicContact CB-CD2 3.69Å; F20-Y459 HydrophobicContact CB-CE2 3.57Å; F20-Y459 HydrophobicContact CB-CG 4.28Å; F20-Y459 HydrophobicContact CD1-CD1 4Å; F20-Y459 HydrophobicContact CD1-CD2 4.31Å; F20-Y459 HydrophobicContact CD1-CE1 4.22Å; F20-Y459 HydrophobicContact CD1-CG 4.05Å; F20-Y459 HydrophobicContact CD2-CD1 4.3Å; F20-Y459 AromaticContact CD2-CD2 3.54Å; F20-Y459 HydrophobicContact CD2-CD2 3.54Å; F20-Y459 HydrophobicContact CD2-CE2 4.31Å; F20-Y459 AromaticContact CD2-CG 3.53Å; F20-Y459 HydrophobicContact CD2-CG 3.53Å; F20-Y459 HydrophobicContact CE1-CD1 4.17Å; F20-Y459 HydrophobicContact CE1-CG 4.3Å; F20-Y459 HydrophobicContact CE2-CD1 4.47Å; F20-Y459 HydrophobicContact CE2-CD2 4.28Å; F20-Y459 AromaticContact CE2-CG 3.82Å; F20-Y459 HydrophobicContact CE2-CG 3.82Å; F20-Y459 HydrophobicContact CG-CD1 4.07Å; F20-Y459 AromaticContact CG-CD2 3.56Å; F20-Y459 HydrophobicContact CG-CD2 3.56Å; F20-Y459 HydrophobicContact CG-CE1 4.36Å; F20-Y459 AromaticContact CG-CE2 3.88Å; F20-Y459 HydrophobicContact CG-CE2 3.88Å; F20-Y459 AromaticContact CG-CG 3.66Å; F20-Y459 HydrophobicContact CG-CG 3.66Å; F20-Y459 HydrophobicContact CZ-CD1 4.41Å; F20-Y459 HydrophobicContact CZ-CG 4.19Å; E455-Y459 WeakPolarHBondContact O-CB 3.18Å; E455-Y459 PolarHBondContact O-N 3.38Å; I456-Y459 PolarHBondContact O-N 2.98Å; Y459-C461 VanDerWaalsContact C-N 3.33Å; Y459-C461 PolarHBondContact O-N 2.85Å; Y459-E462 PolarHBondContact O-N 3.09Å; Y459-V463 HydrophobicContact CD1-CG2 4.09Å; Y459-V463 HydrophobicContact CD2-CG2 4.31Å; Y459-V463 HydrophobicContact CE1-CG2 3.68Å; Y459-V463 HydrophobicContact CE2-CG2 3.93Å; Y459-V463 HydrophobicContact CG-CG2 4.39Å; Y459-V463 WeakPolarHBondContact O-CB 3.29Å; Y459-V463 WeakPolarHBondContact O-CG2 3.41Å; Y459-V463 PolarHBondContact O-N 3.45Å
460L84.6Confident81.1Confident95 Ų9580.3 Ų80.350%0.49741%0.41SS..Hα-helixtrans-63.2-38.9175.9-72.9173.9000111.9I456 L457 D458 F464I456-L460 HydrophobicContact CG2-CD1 3.97Å; I456-L460 HydrophobicContact CG2-CG 4.35Å; I456-L460 WeakPolarHBondContact O-CB 3.46Å; I456-L460 VanDerWaalsContact O-CG 3.25Å; I456-L460 WeakPolarHBondContact O-CG 3.32Å; I456-L460 PolarHBondContact O-N 3.32Å; L457-L460 PolarHBondContact O-N 3.39Å; D458-L460 PolarHBondContact O-N 3.02Å; L460-F464 VanDerWaalsContact O-CB 3.23Å; L460-F464 WeakPolarHBondContact O-CB 3.43Å; L460-F464 PolarHBondContact O-N 2.81Å
461C84.9Confident79.9Confident82 Ų8282 Ų8255%0.55441%0.409SS*.Hα-helixtrans-65-41.8174.2-76.90000111.9L457 D458 Y459 F464 R465L457-C461 WeakPolarHBondContact O-CB 3.23Å; L457-C461 PolarHBondContact O-N 3.47Å; L457-C461 PolarHBondContact O-SG 3.4Å; L457-C461 VanDerWaalsContact O-SG 3.35Å; D458-C461 WeakPolarHBondContact O-CB 3.4Å; D458-C461 PolarHBondContact O-N 2.96Å; D458-C461 VanDerWaalsContact O-N 3.12Å; Y459-C461 VanDerWaalsContact C-N 3.33Å; Y459-C461 PolarHBondContact O-N 2.85Å; C461-F464 PolarHBondContact O-N 3.08Å; C461-R465 VanDerWaalsContact O-CB 3.27Å; C461-R465 WeakPolarHBondContact O-CB 3.5Å; C461-R465 PolarHBondContact O-N 2.7Å
462E85.4Confident78.5Confident71 Ų7183.4 Ų83.433%0.33241%0.411SS..Hα-helixtrans-62.9-48174.3-65.6-149.2122.600111.8D458 Y459 F464 R465 D466D458-E462 WeakPolarHBondContact O-CG 3.08Å; D458-E462 PolarHBondContact O-N 3.39Å; Y459-E462 PolarHBondContact O-N 3.09Å; E462-F464 VanDerWaalsContact C-N 3.3Å; E462-F464 PolarHBondContact O-N 3.42Å; E462-R465 WeakPolarHBondContact O-CB 3.38Å; E462-R465 PolarHBondContact O-N 2.87Å; E462-R465 IonicContact OE1-NH2 3.01Å; E462-R465 PolarHBondContact OE1-NH2 3.47Å; E462-D466 WeakPolarHBondContact O-CB 3.37Å; E462-D466 VanDerWaalsContact O-CG 3.28Å; E462-D466 PolarHBondContact O-N 3.43Å
463V83.1Confident77.1Confident25 Ų2591.3 Ų91.315%0.15244%0.441CS..Hα-helixtrans-59.8-42.1176.2172.80000110.9S15 Y459 D466 K467S15-V463 WeakPolarHBondContact OG-CG2 3.23Å; Y459-V463 HydrophobicContact CD1-CG2 4.09Å; Y459-V463 HydrophobicContact CD2-CG2 4.31Å; Y459-V463 HydrophobicContact CE1-CG2 3.68Å; Y459-V463 HydrophobicContact CE2-CG2 3.93Å; Y459-V463 HydrophobicContact CG-CG2 4.39Å; Y459-V463 WeakPolarHBondContact O-CB 3.29Å; Y459-V463 WeakPolarHBondContact O-CG2 3.41Å; Y459-V463 PolarHBondContact O-N 3.45Å; V463-D466 PolarHBondContact O-N 3.45Å; V463-K467 HydrophobicContact CG1-CD 4.26Å; V463-K467 HydrophobicContact CG1-CG 4.48Å; V463-K467 VanDerWaalsContact O-CB 3.31Å; V463-K467 WeakPolarHBondContact O-CB 3.18Å; V463-K467 WeakPolarHBondContact O-CG 3.42Å; V463-K467 PolarHBondContact O-N 3.35Å
464F81.5Confident75.8Confident142 Ų14293.5 Ų93.562%0.62345%0.453SS*.Hα-helixtrans-66-45.2177.7-177.1-93.5000111.3L460 C461 E462 D466 K467 V468L460-F464 VanDerWaalsContact O-CB 3.23Å; L460-F464 WeakPolarHBondContact O-CB 3.43Å; L460-F464 PolarHBondContact O-N 2.81Å; C461-F464 PolarHBondContact O-N 3.08Å; E462-F464 VanDerWaalsContact C-N 3.3Å; E462-F464 PolarHBondContact O-N 3.42Å; F464-D466 VanDerWaalsContact C-N 3.33Å; F464-D466 PolarHBondContact O-N 2.8Å; F464-K467 PolarHBondContact O-N 2.91Å; F464-V468 HydrophobicContact CD1-CG2 4.25Å; F464-V468 HydrophobicContact CD2-CG2 3.79Å; F464-V468 HydrophobicContact CE1-CB 4.26Å; F464-V468 HydrophobicContact CE1-CG1 4.5Å; F464-V468 HydrophobicContact CE1-CG2 4.03Å; F464-V468 HydrophobicContact CE2-CG2 3.55Å; F464-V468 HydrophobicContact CG-CG2 4.14Å; F464-V468 HydrophobicContact CZ-CB 4.32Å; F464-V468 HydrophobicContact CZ-CG1 4.43Å; F464-V468 HydrophobicContact CZ-CG2 3.68Å; F464-V468 VanDerWaalsContact O-CB 3.23Å; F464-V468 WeakPolarHBondContact O-CB 3.42Å; F464-V468 WeakPolarHBondContact O-CG2 3.23Å; F464-V468 PolarHBondContact O-N 3.29Å
465R81.3Confident74.2Confident114 Ų11497.1 Ų97.143%0.4346%0.46SS..Hα-helixtrans-56-50174.2-172.1-177.362.2-153-8.1109.9C461 E462 L469C461-R465 VanDerWaalsContact O-CB 3.27Å; C461-R465 WeakPolarHBondContact O-CB 3.5Å; C461-R465 PolarHBondContact O-N 2.7Å; E462-R465 WeakPolarHBondContact O-CB 3.38Å; E462-R465 PolarHBondContact O-N 2.87Å; E462-R465 IonicContact OE1-NH2 3.01Å; E462-R465 PolarHBondContact OE1-NH2 3.47Å; R465-L469 HydrophobicContact CB-CD1 4.39Å; R465-L469 HydrophobicContact CG-CD1 3.52Å; R465-L469 WeakPolarHBondContact O-CA 3.48Å; R465-L469 WeakPolarHBondContact O-CB 3.31Å; R465-L469 PolarHBondContact O-N 2.78Å
466D77.4Confident72.6Confident69 Ų69100 Ų10037%0.36947%0.474SS..Hα-helixtrans-68.6-39.4-176.9-70.2-1.3000112.4E462 V463 F464 G470E462-D466 WeakPolarHBondContact O-CB 3.37Å; E462-D466 VanDerWaalsContact O-CG 3.28Å; E462-D466 PolarHBondContact O-N 3.43Å; V463-D466 PolarHBondContact O-N 3.45Å; F464-D466 VanDerWaalsContact C-N 3.33Å; F464-D466 PolarHBondContact O-N 2.8Å; D466-G470 WeakPolarHBondContact O-CA 3.28Å; D466-G470 PolarHBondContact O-N 3.19Å
467K72.8Confident71Confident155 Ų155101.5 Ų101.567%0.67448%0.479SS*.Hα-helixtrans-79.4-32.4178.9-75.3-166.9176.6179.50114.1V463 F464 Y471V463-K467 HydrophobicContact CG1-CD 4.26Å; V463-K467 HydrophobicContact CG1-CG 4.48Å; V463-K467 VanDerWaalsContact O-CB 3.31Å; V463-K467 WeakPolarHBondContact O-CB 3.18Å; V463-K467 WeakPolarHBondContact O-CG 3.42Å; V463-K467 PolarHBondContact O-N 3.35Å; F464-K467 PolarHBondContact O-N 2.91Å; K467-Y471 WeakPolarHBondContact O-CB 3.49Å; K467-Y471 PolarHBondContact O-N 3.19Å
468V68.7Low69.3Low56 Ų56101.2 Ų101.234%0.33949%0.485SS..Hα-helixtrans-90.2-50.9-178.9178.80000110.9F464 Y471 F472F464-V468 HydrophobicContact CD1-CG2 4.25Å; F464-V468 HydrophobicContact CD2-CG2 3.79Å; F464-V468 HydrophobicContact CE1-CB 4.26Å; F464-V468 HydrophobicContact CE1-CG1 4.5Å; F464-V468 HydrophobicContact CE1-CG2 4.03Å; F464-V468 HydrophobicContact CE2-CG2 3.55Å; F464-V468 HydrophobicContact CG-CG2 4.14Å; F464-V468 HydrophobicContact CZ-CB 4.32Å; F464-V468 HydrophobicContact CZ-CG1 4.43Å; F464-V468 HydrophobicContact CZ-CG2 3.68Å; F464-V468 VanDerWaalsContact O-CB 3.23Å; F464-V468 WeakPolarHBondContact O-CB 3.42Å; F464-V468 WeakPolarHBondContact O-CG2 3.23Å; F464-V468 PolarHBondContact O-N 3.29Å; V468-Y471 PolarHBondContact O-N 3.2Å; V468-F472 HydrophobicContact CG1-CD2 4.44Å; V468-F472 WeakPolarHBondContact O-CD2 3.37Å; V468-F472 PolarHBondContact O-N 3.39Å; V468-F472 VanDerWaalsContact O-N 3.08Å
469L61.8Low67.5Low97 Ų97103.4 Ų103.451%0.50849%0.492SS..Hα-helixtrans-72.6-34.7176.4-70.6148.2000111.6R465 Y471 F472 W473R465-L469 HydrophobicContact CB-CD1 4.39Å; R465-L469 HydrophobicContact CG-CD1 3.52Å; R465-L469 WeakPolarHBondContact O-CA 3.48Å; R465-L469 WeakPolarHBondContact O-CB 3.31Å; R465-L469 PolarHBondContact O-N 2.78Å; L469-Y471 VanDerWaalsContact C-N 3.33Å; L469-Y471 PolarHBondContact O-N 2.98Å; L469-F472 PolarHBondContact O-N 3.43Å; L469-W473 WeakPolarHBondContact O-CB 3.42Å; L469-W473 PolarHBondContact O-N 3.18Å
470G60.4Low65.7Low27 Ų27110.6 Ų110.628%0.27852%0.518SS..Hα-helixtrans-66.3-32.4172.900000113.3D466 N474D466-G470 WeakPolarHBondContact O-CA 3.28Å; D466-G470 PolarHBondContact O-N 3.19Å; G470-N474 VanDerWaalsContact O-CB 3.28Å; G470-N474 WeakPolarHBondContact O-CB 3.15Å; G470-N474 PolarHBondContact O-N 3.03Å
471Y59.9Low63.9Low159 Ų159112 Ų11262%0.62452%0.522SS*.Hα-helixtrans-71.1-38.9173-164.8-93.9000112K467 V468 L469 R475K467-Y471 WeakPolarHBondContact O-CB 3.49Å; K467-Y471 PolarHBondContact O-N 3.19Å; V468-Y471 PolarHBondContact O-N 3.2Å; L469-Y471 VanDerWaalsContact C-N 3.33Å; L469-Y471 PolarHBondContact O-N 2.98Å; Y471-R475 WeakPolarHBondContact O-CB 3.11Å; Y471-R475 PolarHBondContact O-N 2.91Å
472F57.9Low61.8Low144 Ų144111.8 Ų111.863%0.63252%0.522SS*.Hα-helixtrans-64.9-43172.2-95.3-86.2000112.4V468 L469 R475 Q476V468-F472 HydrophobicContact CG1-CD2 4.44Å; V468-F472 WeakPolarHBondContact O-CD2 3.37Å; V468-F472 PolarHBondContact O-N 3.39Å; V468-F472 VanDerWaalsContact O-N 3.08Å; L469-F472 PolarHBondContact O-N 3.43Å; F472-R475 PolarHBondContact O-N 3.31Å; F472-Q476 PolarHBondContact O-N 3.05Å
473W57.4Low59.9Low168 Ų168112.2 Ų112.264%0.63653%0.533SS*.Hα-helixtrans-68-38.2178.4-137.2-54.8000112.3L469 Q476 H477L469-W473 WeakPolarHBondContact O-CB 3.42Å; L469-W473 PolarHBondContact O-N 3.18Å; W473-Q476 PolarHBondContact O-N 3.28Å; W473-H477 AromaticContact CD1-CD2 3.88Å; W473-H477 PolarHBondContact O-N 2.94Å
474N56.6Low58.2Low116 Ų116114.7 Ų114.762%0.6255%0.548SS*.Hα-helixtrans-68.2-32.3173.5-85.3-15.9000112.6G470 S478G470-N474 VanDerWaalsContact O-CB 3.28Å; G470-N474 WeakPolarHBondContact O-CB 3.15Å; G470-N474 PolarHBondContact O-N 3.03Å; N474-S478 VanDerWaalsContact O-CB 3.31Å; N474-S478 WeakPolarHBondContact O-CB 3.31Å; N474-S478 PolarHBondContact O-N 3.27Å
475R54.6Low56.3Low172 Ų172114.2 Ų114.265%0.64955%0.552SS**Hα-helixtrans-66.8-39.5172.1-125.4179.4174.1-177.7-2.2111.8Y471 F472 S478 Q479Y471-R475 WeakPolarHBondContact O-CB 3.11Å; Y471-R475 PolarHBondContact O-N 2.91Å; F472-R475 PolarHBondContact O-N 3.31Å; R475-S478 PolarHBondContact O-N 2.92Å; R475-Q479 PolarHBondContact O-N 3.44Å
476Q52.4Low54.4Low132 Ų132115.9 Ų115.962%0.61757%0.569SS**Hα-helixtrans-71.1-34.6177.1-155.8175.20.100112.3F472 W473 R480F472-Q476 PolarHBondContact O-N 3.05Å; W473-Q476 PolarHBondContact O-N 3.28Å; Q476-R480 PolarHBondContact O-N 3.01Å
477H51.4Low52.7Low86 Ų86120 Ų12040%0.39859%0.59SS.*Hα-helixtrans-73.5-33.2172.7-99.7-55.8000113.8W473 R480 H481W473-H477 AromaticContact CD1-CD2 3.88Å; W473-H477 PolarHBondContact O-N 2.94Å; H477-R480 PolarHBondContact O-N 3.21Å; H477-H481 PolarHBondContact O-N 3.23Å
478S51Low51.1Low83 Ų83120.9 Ų120.958%0.5860%0.596SS**Hα-helixtrans-66.9-36.6174.5-169.50000112.1N474 R475 H481 S482N474-S478 VanDerWaalsContact O-CB 3.31Å; N474-S478 WeakPolarHBondContact O-CB 3.31Å; N474-S478 PolarHBondContact O-N 3.27Å; R475-S478 PolarHBondContact O-N 2.92Å; S478-H481 PolarHBondContact O-N 3.35Å; S478-S482 PolarHBondContact O-N 3.17Å
479Q49.6Very low49.5Very low149 Ų149127.3 Ų127.370%0.69662%0.623SS**Hα-helixtrans-65.6-37.9169.9-80.5-168.4-12.100112.7R475 S482 S483R475-Q479 PolarHBondContact O-N 3.44Å; Q479-S482 PolarHBondContact O-N 3.5Å; Q479-S483 PolarHBondContact O-N 3.24Å; Q479-S483 PolarHBondContact O-OG 3.48Å
480R46.8Very low48.3Very low180 Ų180125.5 Ų125.568%0.67963%0.628SS**Hα-helixtrans-66.6-34.3175.8-100.7177.8171.3174-3.4113.5Q476 H477 T484Q476-R480 PolarHBondContact O-N 3.01Å; H477-R480 PolarHBondContact O-N 3.21Å; R480-T484 PolarHBondContact O-OG1 3.44Å
481H46.7Very low46.8Very low124 Ų124133.2 Ų133.257%0.57466%0.661SS**Hα-helixtrans-76.8-22.8177.8-91.4-72.7000114.3H477 S478 T484H477-H481 PolarHBondContact O-N 3.23Å; S478-H481 PolarHBondContact O-N 3.35Å; H481-T484 PolarHBondContact O-OG1 3.44Å
482S41.5Very low45.2Very low79 Ų79129.8 Ų129.855%0.55267%0.674SS**Hα-helixtrans-76.8-26.8173.4-167.10000112.8S478 Q479S478-S482 PolarHBondContact O-N 3.17Å; Q479-S482 PolarHBondContact O-N 3.5Å
483S44.4Very low43.7Very low80 Ų80128.2 Ų128.256%0.55968%0.681SS**Hα-helixtrans-79.1-23176.6-49.20000113.7Q479Q479-S483 PolarHBondContact O-N 3.24Å; Q479-S483 PolarHBondContact O-OG 3.48Å
484T48.3Very low42.3Very low77 Ų77129 Ų12947%0.47269%0.691SS.*Hα-helixtrans-84.5-21.1178.943.40000114.2R480 H481R480-T484 PolarHBondContact O-OG1 3.44Å; H481-T484 PolarHBondContact O-OG1 3.44Å
485N40.9Very low40.9Very low132 Ų132134 Ų13471%0.70670%0.702SS**THydrogen-bonded Turntrans-87.1-2.7177-77.2-19.9000114.2
486L42.8Very low39.5Very low148 Ų148131 Ų13178%0.77570%0.702SS**THydrogen-bonded Turntrans-104.9-1.5176.5-107155.9000113.8
487L40.7Very low38.2Very low156 Ų156133.6 Ų133.682%0.81771%0.714SS**SBendtrans-111.47175.7-85.5165000113.4
488Q39.5Very low37Very low174 Ų174135.5 Ų135.581%0.81373%0.732SS**SBendtrans-121.728.5179.9-158141.42.200113.2
489E34.8Very low36.3Very low191 Ų191136.9 Ų136.989%0.89374%0.739SS**SBendtrans-135.973.7159.8-90.4-165.8135.800108.1
490G36.8Very low35.1Very low59 Ų59137.8 Ų137.861%0.60874%0.743SS**SBendtrans162.677.9179.100000111.8
491L29.4Very low34.1Very low189 Ų189136.5 Ų136.599%0.9975%0.749SS**  trans150.4117.6143.4-97.598.1000109.7
492G25.4Very low33Very low87 Ų87134.7 Ų134.790%0.89775%0.75SS**  trans167.941.8167.900000118.9
493S25.8Very low32.3Very low110 Ų110139.2 Ų139.277%0.76977%0.767SS**  trans-124.3101153.9-178.80000108.5
494H29.3Very low31.4Very low184 Ų184138.6 Ų138.685%0.85277%0.773SS**  178.7142.5129.5-113.5-93.3000111.8
495R26.7Very low31Very low223 Ų223140.8 Ų140.884%0.84279%0.789SS**  trans-71.3144.9174.8-164.1177.3-169.6175.31.8110.2
496T25.3Very low30.2Very low107 Ų107139.9 Ų139.966%0.65679%0.793SS**  150.5133.9114.1-32.80000112.6
497Q25.3Very low29.4Very low187 Ų187138.8 Ų138.887%0.87479%0.793SS**  trans68.5132150.7-85.6162.99.600123
498V25.7Very low28.7Very low127 Ų127139 Ų13977%0.7779%0.794SS**  trans-77.1157.3175-1710000108.2
499P36.1Very low28Very low112 Ų112139 Ų13973%0.72780%0.798SS**  cis-153.8162.745.141.2-17.6000121.6
500H25Very low27.4Very low167 Ų167135.6 Ų135.677%0.77379%0.794SS**  trans52.5153.6140-85.2-87.9000125.7
501L25.4Very low26.9Very low153 Ų153138.9 Ų138.980%0.80181%0.808SS**  trans94.6112.6167.3-68.5114.5000115.4
502S24.3Very low26.8Very low86 Ų86138.3 Ų138.360%0.60180%0.8SS**  cis99135.136.671.40000114.3
503L25.4Very low26.9Very low174 Ų174142 Ų14291%0.91180%0.8SS**  trans73.5140.2174-65.8109.4000116.2
504G25.4Very low27.1Very low67 Ų67144.3 Ų144.369%0.69180%0.802SS**  cis169.6166.96.700000108.3
505P40Very low27.3Very low124 Ų124141.1 Ų141.181%0.80580%0.798SS**  trans-106.3161.3-158.538.5-30.6000114.5
506S25.3Very low27.7Very low112 Ų112135.9 Ų135.978%0.78379%0.793SS**  trans-170.8109.2163.9-74.40000110.2
507T25.1Very low28Very low126 Ų126139 Ų13977%0.77381%0.805SS**  72.1115.391.449.40000117.8
508L26.1Very low28.4Very low161 Ų161135.7 Ų135.784%0.84380%0.799SS**  trans35.1131.8136.5-72.1158.8000121
509L24.9Very low28.7Very low172 Ų172136.1 Ų136.190%0.90180%0.802SS**  -178147.4115.1-114.1116.3000113.1
510C23.5Very low28.8Very low121 Ų121136.3 Ų136.382%0.81880%0.803SS**  trans-78.6155.6172.5-63.80000112.6
511S24.6Very low29.1Very low128 Ų128133.6 Ų133.690%0.89580%0.803SS**  trans-161.1142.6147.6-133.80000111.9
512E28.4Very low29.5Very low177 Ų177132.5 Ų132.583%0.82781%0.805SS**  trans-64154.4173.4-74.9169.391.400113.2
513D27Very low29.7Very low165 Ų165139.4 Ų139.488%0.88282%0.818SS**  175.8133125.4-90.5-32.3000111.5
514L29.8Very low30.1Very low157 Ų157138 Ų13882%0.82281%0.811SS**  trans-97.9155.5167.6-142.588.6000108.7
515P33.9Very low30.4Very low117 Ų117140 Ų14076%0.7681%0.814SS**  -152.6-163.2103.646.1-27.5000112.6
516P35Very low30.3Very low114 Ų114139.7 Ų139.774%0.7481%0.812SS**  -115.5167.1-114.621.24.7000114.3
517L31.6Very low31.1Very low173 Ų173139.9 Ų139.991%0.90681%0.81SS**PPolyproline II helixtrans-101.8149.4174.4-84.4159.6000112
518P33.2Very low31.7Very low116 Ų116139.9 Ų139.975%0.75381%0.813SS**PPolyproline II helixtrans-89.9153.9-173.935.3-32.9000114.2
519V33.3Very low32Very low136 Ų136139.1 Ų139.182%0.82482%0.815SS**PPolyproline II helixtrans-72.3144.1174.4-179.60000111.7
520P36.8Very low32.4Very low116 Ų116135.5 Ų135.575%0.75381%0.81SS**  trans-106.2137.915933-22000112.8
521S32.8Very low33.2Very low111 Ų111135.8 Ų135.878%0.77681%0.81SS**  trans-68.3156174-24.90000113
522P34Very low33.4Very low130 Ų130134.6 Ų134.684%0.84481%0.808SS**  trans-89.4140.8170.934.3-28.8000111.3
523R28.8Very low33.4Very low230 Ų230132.4 Ų132.487%0.86881%0.807SS**  trans-125.9136169.8-100.1-168.2-168.3-136.73.3110.8
524L32Very low33.5Very low145 Ų145132.6 Ų132.676%0.75981%0.807SS**  trans73.3112.4150.3-81.891.6000121.2
525S32.9Very low33.4Very low109 Ų109129.5 Ų129.576%0.76280%0.799SS**  trans-52.9155.714845.80000115.4
526P37.2Very low33.2Very low118 Ų118132.8 Ų132.877%0.76680%0.803SS**  trans-113.1165.1153.329.9-13.7000113.8
527P42Very low32.9Very low115 Ų115132.5 Ų132.575%0.74780%0.804SS**  trans-97.6176.6-15639.5-34.9000114.6
528P37.9Very low32.8Very low126 Ų126129.6 Ų129.682%0.81880%0.798SS**  trans-88.5147.5-177.235.1-30.9000112.4
529T32.3Very low32.8Very low145 Ų145135.8 Ų135.889%0.8981%0.807SS**  trans-125.6127.6171.917.40000110.7
530A33.1Very low32.7Very low96 Ų96135.2 Ų135.279%0.79381%0.806SS**  trans-152.8166.916200000107.3
531P40.2Very low32.4Very low128 Ų128134.3 Ų134.383%0.83181%0.808SS**  cis-124.1171.9-25.732.3-14.3000111.9
532A29.1Very low32.3Very low103 Ų103135.4 Ų135.485%0.85181%0.81SS**  trans-134.5118.5162.800000110.5
533T28.9Very low32Very low131 Ų131135.2 Ų135.280%0.80481%0.81SS**  trans-66.2138.416843.60000111.5
534L29.2Very low32.1Very low169 Ų169130.5 Ų130.589%0.88581%0.807SS**  trans-162.1129.5139.2-105.4153.2000110.9
535S27.8Very low32.1Very low92 Ų92132 Ų13264%0.64382%0.815SS**  trans-60.7141.5175.849.10000114.1
536H30.1Very low31.9Very low185 Ų185130 Ų13086%0.85681%0.811SS**  -165.2123.4126.9-110.5-73000113.2
537S28Very low31.7Very low108 Ų108129.2 Ų129.276%0.75581%0.814SS**  trans-28131155.3165.90000116.7
538S30.3Very low31.8Very low112 Ų112129.3 Ų129.378%0.78382%0.815SS**  -174.7119.9125.9390000111.3
539R32.5Very low32.6Very low247 Ų247132.9 Ų132.993%0.93284%0.839SS**PPolyproline II helixtrans-86.5140.3168.7-72.1176.9173.8-178.2-2.7109.1
540P30.7Very low32.6Very low123 Ų123132.3 Ų132.380%0.79984%0.836SS**PPolyproline II helixtrans-87.2127.6155.228.2-21.3000110
541A30.4Very low32.6Very low98 Ų98134.2 Ų134.281%0.8184%0.838SS**PPolyproline II helixtrans-73.2134172.500000110.5
542V30.2Very low32.2Very low133 Ų133134.6 Ų134.681%0.80684%0.839SS**PPolyproline II helixtrans-91.6119.9168174.30000107.5
543C28.9Very low32.3Very low126 Ų126136.4 Ų136.485%0.85184%0.838SS**PPolyproline II helixtrans-74.3120.6172.7-72.80000110.2
544V30.4Very low32.5Very low132 Ų132136.8 Ų136.880%0.884%0.84SS**  trans-102.6115.6165176.70000107.1G546V544-G546 PolarHBondContact O-N 3.26Å
545L32.3Very low32.8Very low176 Ų176134.6 Ų134.692%0.92184%0.837SS**  trans-80.6105168.5-91.8154000108.2
546G28.3Very low33.1Very low67 Ų67137.6 Ų137.669%0.69185%0.851SS**  trans-91.7136.8162.900000110V544V544-G546 PolarHBondContact O-N 3.26Å
547A32.9Very low33.4Very low101 Ų101134 Ų13484%0.83585%0.85SS**  trans-114.6132.516600000109
548P45.3Very low33.8Very low118 Ų118136.2 Ų136.277%0.76686%0.858SS**  trans-134.5177.415239.3-25.8000111.4
549P53.5Low34.1Very low201 Ų201138.4 Ų138.4100%1.30587%0.865SS**  cis-99.70-11.835.5-29.5000114.5

Retrieved 549 of 549 residues in 203.3 ms (Link to these results)

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