A0A087X4B3_POEFO Loading...

Hypoxanthine phosphoribosyltransferase

Converts guanine to guanosine monophosphate, and hypoxanthine to inosine monophosphate. Transfers the 5-phosphoribosyl group from 5-phosphoribosylpyrophosphate onto the purine. Plays a central role in the generation of purine nucleotides through the purine salvage pathway.

AlphaFold DB , UniProt , Accession A0A087X4B3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 218 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
1M32.8Very low69.9Low237 Ų23786.7 Ų86.7100%1.16755%0.549SS*.  0110.80-69.5178.7-177.700106.9T3M1-T3 PolarHBondContact O-N 3.08Å; M1-T3 VanDerWaalsContact O-N 3.14Å
2A35.3Very low71.9Confident107 Ų10788.4 Ų88.488%0.88455%0.551SS**  trans-65.1112.5178.500000108.1S4A2-S4 PolarHBondContact O-N 3.09Å
3T39.9Very low73.6Confident118 Ų11894.8 Ų94.872%0.72457%0.57SS**  trans-64.1102.8169.941.30000107M1 S5M1-T3 PolarHBondContact O-N 3.08Å; M1-T3 VanDerWaalsContact O-N 3.14Å; T3-S5 PolarHBondContact O-N 2.8Å
4S50.7Low75.1Confident113 Ų11393.1 Ų93.179%0.7955%0.553SS**  trans-61103.1172.159.90000107.8A2 S6A2-S4 PolarHBondContact O-N 3.09Å; S4-S6 PolarHBondContact O-N 3.27Å
5S56.6Low76.3Confident40 Ų4096.3 Ų96.328%0.2856%0.56SS.*  trans-59.7119.2165.2172.10000106.9T3 C7 R45 E52T3-S5 PolarHBondContact O-N 2.8Å; S5-C7 PolarHBondContact O-N 3.3Å; S5-R45 PolarHBondContact OG-NH2 3.4Å; S5-E52 WeakPolarHBondContact CB-OE2 3.41Å; S5-E52 PolarHBondContact OG-OE2 3.39Å
6S75Confident77.6Confident89 Ų8991.4 Ų91.462%0.62254%0.537SS*.  trans-74.494.9176.657.50000108S4 R45S4-S6 PolarHBondContact O-N 3.27Å; S6-R45 PolarHBondContact O-NH2 3.25Å
7C92.3Very high78.8Confident27 Ų2792.4 Ų92.418%0.18253%0.531CS..  trans-64.4160.9167.569.50000111S5 V9 V179S5-C7 PolarHBondContact O-N 3.3Å; C7-V9 PolarHBondContact O-N 2.8Å; C7-V179 HydrophobicContact CB-CB 3.78Å; C7-V179 HydrophobicContact CB-CG1 3.64Å; C7-V179 WeakPolarHBondContact CB-O 3.43Å
8V96.9Very high79.9Confident54 Ų5492.7 Ų92.733%0.32753%0.53SS..EExtended strand (participates in β ladder)trans-78.4111.6172.4178.50000108R45 G180 F181 E182V8-R45 HydrophobicContact CG2-CG 4.39Å; V8-G180 PolarHBondContact N-O 3.01Å; V8-F181 HydrophobicContact CB-CD1 3.52Å; V8-F181 HydrophobicContact CB-CE1 3.8Å; V8-F181 HydrophobicContact CB-CG 4.35Å; V8-F181 HydrophobicContact CG1-CD1 3.66Å; V8-F181 HydrophobicContact CG1-CE1 3.85Å; V8-F181 HydrophobicContact CG2-CD1 4.25Å; V8-F181 HydrophobicContact CG2-CE1 4.06Å; V8-F181 CarbonylContact O-C 3.57Å; V8-F181 VanDerWaalsContact O-CA 3.22Å; V8-F181 WeakPolarHBondContact O-CA 3.4Å; V8-E182 PolarHBondContact O-N 3.3Å
9V97.3Very high80.9Confident94 Ų9488.9 Ų88.957%0.5751%0.508SS*.EExtended strand (participates in β ladder)trans-90.9114179.1-175.90000108.9C7 E182C7-V9 PolarHBondContact O-N 2.8Å; V9-E182 HydrophobicContact CG2-CB 4.42Å
10I96.6Very high81.7Confident17 Ų1791.9 Ų91.99%0.08752%0.522CS..  trans-87.2126.8173.2-57.6-170.5000108.4E14 Y36 I37 R167 F181 E182 V183I10-E14 HydrophobicContact CG2-CB 3.46Å; I10-E14 VanDerWaalsContact CG2-CB 3.46Å; I10-E14 HydrophobicContact CG2-CG 3.51Å; I10-Y36 HydrophobicContact CD1-CD1 4.48Å; I10-Y36 HydrophobicContact CD1-CE1 4.16Å; I10-Y36 HydrophobicContact CG2-CE1 4.16Å; I10-Y36 HydrophobicContact CG2-CE2 4.35Å; I10-Y36 WeakPolarHBondContact CG2-OH 3.27Å; I10-I37 HydrophobicContact CD1-CD1 3.66Å; I10-I37 HydrophobicContact CD1-CG1 3.62Å; I10-R167 VanDerWaalsContact O-CZ 3.23Å; I10-R167 PolarHBondContact O-NH1 2.97Å; I10-R167 PolarHBondContact O-NH2 2.93Å; I10-F181 HydrophobicContact CD1-CD1 4.31Å; I10-E182 PolarHBondContact N-O 3.27Å; I10-V183 HydrophobicContact CB-CG1 4.5Å; I10-V183 HydrophobicContact CD1-CG1 3.95Å; I10-V183 HydrophobicContact CG1-CG1 4.35Å
11S95.9Very high82.5Confident58 Ų5893.7 Ų93.741%0.40653%0.53SS..  trans-64154.1179.9176.70000112.7E13 E14 P184S11-E13 PolarHBondContact O-N 3.36Å; S11-E13 PolarHBondContact OG-N 3.14Å; S11-E13 VanDerWaalsContact OG-N 3.11Å; S11-E14 WeakPolarHBondContact O-CB 3.36Å; S11-E14 PolarHBondContact O-N 2.74Å; S11-E14 VanDerWaalsContact O-N 3.16Å; S11-P184 WeakPolarHBondContact O-CG 3.45Å
12D93.3Very high85.6Confident107 Ų10785.3 Ų85.357%0.57249%0.487SS*.THydrogen-bonded Turntrans-65.5-27.5170.2-67-14.5000111.9E14 R167 P184D12-E14 PolarHBondContact O-N 3.44Å; D12-R167 IonicContact OD1-CZ 2.8Å; D12-R167 IonicContact OD1-NE 2.65Å; D12-R167 IonicContact OD1-NH2 3.58Å; D12-R167 PolarHBondContact OD1-NH2 2.83Å; D12-P184 WeakPolarHBondContact OD1-CB 3.46Å; D12-P184 WeakPolarHBondContact OD1-CG 3.48Å
13E94.6Very high88.6Confident172 Ų17285.9 Ų85.980%0.80448%0.483SS*.THydrogen-bonded Turntrans-78.3-8.1175.4-59.8179.2-178.700112.8S11 Q15S11-E13 PolarHBondContact O-N 3.36Å; S11-E13 PolarHBondContact OG-N 3.14Å; S11-E13 VanDerWaalsContact OG-N 3.11Å; E13-Q15 PolarHBondContact O-N 3.28Å; E13-Q15 VanDerWaalsContact O-N 3.15Å
14E94.4Very high91.4Very high71 Ų7181.5 Ų81.533%0.33246%0.455SS..  trans-61119.7-179.8-175.961.9-114.900110.5I10 S11 D12 G16 Y36 K186I10-E14 HydrophobicContact CG2-CB 3.46Å; I10-E14 VanDerWaalsContact CG2-CB 3.46Å; I10-E14 HydrophobicContact CG2-CG 3.51Å; S11-E14 WeakPolarHBondContact O-CB 3.36Å; S11-E14 PolarHBondContact O-N 2.74Å; S11-E14 VanDerWaalsContact O-N 3.16Å; D12-E14 PolarHBondContact O-N 3.44Å; E14-G16 PolarHBondContact OE1-N 3.22Å; E14-Y36 HydrophobicContact CB-CE2 4.32Å; E14-Y36 HydrophobicContact CG-CE2 4.02Å; E14-K186 PolarHBondContact O-NZ 3.01Å
15Q93.4Very high93.6Very high140 Ų14077.7 Ų77.765%0.65443%0.428SS*.  trans-89.4-16.3178.5-62.8-167.3600111.8E13 R34E13-Q15 PolarHBondContact O-N 3.28Å; E13-Q15 VanDerWaalsContact O-N 3.15Å; Q15-R34 WeakPolarHBondContact O-CD 3.45Å; Q15-R34 PolarHBondContact O-NH1 3.34Å
16G96.4Very high95.6Very high19 Ų1984.7 Ų84.720%0.19645%0.453CS..  trans72-159.8-173.400000111.6E14 V35E14-G16 PolarHBondContact OE1-N 3.22Å; G16-V35 CarbonylContact C-O 3.6Å; G16-V35 WeakPolarHBondContact CA-O 3.39Å
17Y98.4Very high96.7Very high108 Ų10885.2 Ų85.242%0.42445%0.445SS..BIsolated β-bridgetrans-122.3149.9-173.1-49.1-96.2000111.6F22 V35 P38Y17-F22 VanDerWaalsContact CB-CE2 3.47Å; Y17-F22 HydrophobicContact CD1-CZ 4.49Å; Y17-F22 AromaticContact CG-CE2 4Å; Y17-F22 HydrophobicContact CG-CE2 4Å; Y17-F22 HydrophobicContact CG-CZ 4.14Å; Y17-V35 HydrophobicContact CD2-CG1 4.49Å; Y17-V35 PolarHBondContact N-O 3.04Å; Y17-V35 PolarHBondContact O-N 2.97Å; Y17-P38 HydrophobicContact CD2-CG 4.16Å; Y17-P38 HydrophobicContact CE2-CG 3.95Å
18D98.3Very high96.9Very high98 Ų9884.3 Ų84.352%0.52444%0.438SS..  trans-59.8137.9172.8-166-26000110.6D20 L21 F22D18-D20 VanDerWaalsContact C-N 3.27Å; D18-D20 PolarHBondContact O-N 3.12Å; D18-D20 PolarHBondContact OD1-N 3.21Å; D18-D20 VanDerWaalsContact OD1-N 3.08Å; D18-L21 HydrophobicContact CB-CD1 4.01Å; D18-L21 HydrophobicContact CB-CG 4.11Å; D18-L21 PolarHBondContact O-N 3.46Å; D18-F22 WeakPolarHBondContact O-CD2 3.39Å
19L98.1Very high96.9Very high20 Ų2084.1 Ų84.111%0.10544%0.442CS..G310 helixtrans-61.8-35.7179.3-62.4176.7000111.7L21 F22 I24 L32 V35L19-L21 PolarHBondContact O-N 2.89Å; L19-L21 VanDerWaalsContact O-N 3.16Å; L19-F22 PolarHBondContact O-N 3.37Å; L19-F22 VanDerWaalsContact O-O 3.13Å; L19-I24 HydrophobicContact CB-CG1 4.15Å; L19-I24 HydrophobicContact CD2-CD1 4.33Å; L19-I24 HydrophobicContact CD2-CG1 4.24Å; L19-L32 HydrophobicContact CD1-CB 3.8Å; L19-L32 WeakPolarHBondContact CD1-O 3.5Å; L19-L32 HydrophobicContact CD2-CB 3.96Å; L19-L32 HydrophobicContact CD2-CD1 4.4Å; L19-V35 HydrophobicContact CD2-CG2 3.93Å
20D97.7Very high96.9Very high148 Ų14883.1 Ų83.179%0.79144%0.444SS*.G310 helixtrans-69.6-12.7-175.9-75.8-19.7000113.2D18 F22D18-D20 VanDerWaalsContact C-N 3.27Å; D18-D20 PolarHBondContact O-N 3.12Å; D18-D20 PolarHBondContact OD1-N 3.21Å; D18-D20 VanDerWaalsContact OD1-N 3.08Å; D20-F22 VanDerWaalsContact C-N 3.27Å
21L98.3Very high96.9Very high130 Ų13082.4 Ų82.468%0.68144%0.44SS*.G310 helixtrans-82.2-5.3173.5-59.2175000112.8D18 L19D18-L21 HydrophobicContact CB-CD1 4.01Å; D18-L21 HydrophobicContact CB-CG 4.11Å; D18-L21 PolarHBondContact O-N 3.46Å; L19-L21 PolarHBondContact O-N 2.89Å; L19-L21 VanDerWaalsContact O-N 3.16Å
22F98.5Very high97.1Very high61 Ų6180 Ų8027%0.26842%0.423SS..SBendtrans-132.1162.8-175.1-63.6-91000112.5Y17 D18 L19 D20 I24 V35 P38 H204Y17-F22 VanDerWaalsContact CB-CE2 3.47Å; Y17-F22 HydrophobicContact CD1-CZ 4.49Å; Y17-F22 AromaticContact CG-CE2 4Å; Y17-F22 HydrophobicContact CG-CE2 4Å; Y17-F22 HydrophobicContact CG-CZ 4.14Å; D18-F22 WeakPolarHBondContact O-CD2 3.39Å; L19-F22 PolarHBondContact O-N 3.37Å; L19-F22 VanDerWaalsContact O-O 3.13Å; D20-F22 VanDerWaalsContact C-N 3.27Å; F22-I24 HydrophobicContact CB-CD1 4.07Å; F22-I24 HydrophobicContact CB-CG1 4.41Å; F22-I24 PolarHBondContact O-N 3.37Å; F22-I24 VanDerWaalsContact O-N 3.11Å; F22-V35 HydrophobicContact CB-CG2 4.2Å; F22-V35 HydrophobicContact CD2-CB 4.18Å; F22-V35 HydrophobicContact CD2-CG1 4.47Å; F22-V35 HydrophobicContact CD2-CG2 3.73Å; F22-V35 HydrophobicContact CE2-CB 4.33Å; F22-V35 HydrophobicContact CE2-CG1 4.44Å; F22-V35 HydrophobicContact CE2-CG2 4.36Å; F22-V35 HydrophobicContact CG-CG2 4.01Å; F22-P38 HydrophobicContact CE1-CB 3.99Å; F22-P38 HydrophobicContact CE1-CG 4.06Å; F22-P38 HydrophobicContact CZ-CG 4.07Å; F22-H204 AromaticContact CD1-CE1 3.51Å
23C98.1Very high97.3Very high120 Ų12079.2 Ų79.281%0.81142%0.416SS*.  trans-80.590.9174-65.80000110.3
24I98.3Very high97.4Very high25 Ų2574.2 Ų74.213%0.12839%0.389CS..  trans-97.2135.1177.7-54-56.5000110.7L19 F22 K26 L32 V35 L202L19-I24 HydrophobicContact CB-CG1 4.15Å; L19-I24 HydrophobicContact CD2-CD1 4.33Å; L19-I24 HydrophobicContact CD2-CG1 4.24Å; F22-I24 HydrophobicContact CB-CD1 4.07Å; F22-I24 HydrophobicContact CB-CG1 4.41Å; F22-I24 PolarHBondContact O-N 3.37Å; F22-I24 VanDerWaalsContact O-N 3.11Å; I24-K26 PolarHBondContact O-N 2.93Å; I24-L32 HydrophobicContact CG2-CD1 3.8Å; I24-V35 HydrophobicContact CD1-CG2 3.88Å; I24-L202 HydrophobicContact CD1-CD1 4.45Å; I24-L202 HydrophobicContact CG2-CD1 4.48Å
25P98.1Very high97.6Very high34 Ų3470.9 Ų70.922%0.22137%0.374CS..  trans-56.1128.2172.7-22.532.7000111.2H27 Y28 A29 L202P25-H27 WeakPolarHBondContact CB-CE1 3.18Å; P25-H27 PolarHBondContact O-N 3.44Å; P25-H27 VanDerWaalsContact O-N 3.15Å; P25-Y28 HydrophobicContact CB-CD2 4.12Å; P25-Y28 HydrophobicContact CG-CD2 4.28Å; P25-Y28 PolarHBondContact O-N 2.85Å; P25-A29 PolarHBondContact O-N 3.4Å; P25-L202 VanDerWaalsContact CD-CD1 3.44Å; P25-L202 HydrophobicContact CG-CD1 4.03Å
26K97.5Very high97.8Very high186 Ų18664.4 Ų64.481%0.80934%0.343SS*.G310 helixtrans-61.3-29.1-171.8-68.7-64.8-177.6-174.10113.3I24 Y28 A29I24-K26 PolarHBondContact O-N 2.93Å; K26-Y28 PolarHBondContact O-N 3.42Å; K26-A29 PolarHBondContact O-N 3.47Å
27H97.4Very high97.9Very high100 Ų10063.5 Ų63.546%0.46333%0.334SS..G310 helixtrans-69-13.3176.159-85.1000114.3P25 D201P25-H27 WeakPolarHBondContact CB-CE1 3.18Å; P25-H27 PolarHBondContact O-N 3.44Å; P25-H27 VanDerWaalsContact O-N 3.15Å; H27-D201 IonicContact CE1-OD2 3.45Å; H27-D201 PolarHBondContact CE1-OD2 3.21Å; H27-D201 IonicContact NE2-OD2 3.02Å; H27-D201 PolarHBondContact NE2-OD2 3.3Å
28Y98.4Very high97.9Very high9 Ų959.3 Ų59.34%0.03532%0.32CS..G310 helixtrans-110.6-0.2176.5-65-39000114.6P25 K26 A30 D31 L32 F199 D201 Y216P25-Y28 HydrophobicContact CB-CD2 4.12Å; P25-Y28 HydrophobicContact CG-CD2 4.28Å; P25-Y28 PolarHBondContact O-N 2.85Å; K26-Y28 PolarHBondContact O-N 3.42Å; Y28-A30 VanDerWaalsContact C-N 3.27Å; Y28-A30 PolarHBondContact O-N 3.45Å; Y28-D31 PolarHBondContact O-N 2.8Å; Y28-L32 PolarHBondContact O-N 3.27Å; Y28-F199 AromaticContact CD1-CD1 3.54Å; Y28-F199 HydrophobicContact CD1-CD1 3.54Å; Y28-F199 AromaticContact CD1-CE1 3.31Å; Y28-F199 HydrophobicContact CD1-CE1 3.31Å; Y28-F199 HydrophobicContact CD1-CZ 4.2Å; Y28-F199 AromaticContact CD2-CD1 3.91Å; Y28-F199 HydrophobicContact CD2-CD1 3.91Å; Y28-F199 HydrophobicContact CD2-CE1 4.42Å; Y28-F199 AromaticContact CE1-CD1 3.58Å; Y28-F199 HydrophobicContact CE1-CD1 3.58Å; Y28-F199 AromaticContact CE1-CE1 3.63Å; Y28-F199 HydrophobicContact CE1-CE1 3.63Å; Y28-F199 HydrophobicContact CE1-CG 4.22Å; Y28-F199 HydrophobicContact CE1-CZ 4.29Å; Y28-F199 AromaticContact CE2-CD1 3.94Å; Y28-F199 HydrophobicContact CE2-CD1 3.94Å; Y28-F199 AromaticContact CG-CD1 3.72Å; Y28-F199 HydrophobicContact CG-CD1 3.72Å; Y28-F199 AromaticContact CG-CE1 3.77Å; Y28-F199 HydrophobicContact CG-CE1 3.77Å; Y28-F199 AromaticContact CZ-CD1 3.8Å; Y28-F199 PolarHBondContact OH-N 3.2Å; Y28-D201 VanDerWaalsContact CE2-OD1 3.26Å; Y28-D201 WeakPolarHBondContact CE2-OD1 3.42Å; Y28-D201 PolarHBondContact OH-OD1 3.18Å; Y28-Y216 HydrophobicContact CD1-CE2 4.46Å; Y28-Y216 HydrophobicContact CE1-CE2 4.33Å
29A95.4Very high98Very high49 Ų4957 Ų5741%0.40531%0.306SS..THydrogen-bonded Turntrans-58.1-36.1-171.900000113.7P25 K26P25-A29 PolarHBondContact O-N 3.4Å; K26-A29 PolarHBondContact O-N 3.47Å
30A96.8Very high98Very high73 Ų7358 Ų5860%0.60332%0.32SS*.THydrogen-bonded Turntrans-92-4.5177.100000113.7Y28 S209Y28-A30 VanDerWaalsContact C-N 3.27Å; Y28-A30 PolarHBondContact O-N 3.45Å; A30-S209 PolarHBondContact O-OG 3.42Å
31D98.4Very high98.1Very high3 Ų354.1 Ų54.12%0.01630%0.3CS..THydrogen-bonded Turntrans-100.7-12.6-173.1-55-34.1000112Y28 F199 S209 K215 Y216Y28-D31 PolarHBondContact O-N 2.8Å; D31-F199 HydrophobicContact CB-CE1 3.91Å; D31-F199 HydrophobicContact CB-CZ 3.96Å; D31-S209 WeakPolarHBondContact CA-OG 3.26Å; D31-S209 WeakPolarHBondContact O-CB 3.48Å; D31-S209 PolarHBondContact O-N 3.28Å; D31-S209 PolarHBondContact O-OG 2.68Å; D31-K215 VanDerWaalsContact CG-NZ 3.28Å; D31-K215 WeakPolarHBondContact OD1-CD 3.39Å; D31-K215 IonicContact OD1-NZ 2.68Å; D31-K215 PolarHBondContact OD1-NZ 2.9Å; D31-K215 VanDerWaalsContact OD1-NZ 3.1Å; D31-K215 IonicContact OD2-NZ 3.05Å; D31-K215 PolarHBondContact OD2-NZ 3.29Å; D31-Y216 HydrophobicContact CB-CE2 4.13Å; D31-Y216 WeakPolarHBondContact OD2-CE2 3.5Å; D31-Y216 PolarHBondContact OD2-OH 3.19Å; D31-Y216 VanDerWaalsContact OD2-OH 3.13Å
32L98.3Very high98.1Very high8 Ų848 Ų484%0.04227%0.267CS..EExtended strand (participates in β ladder)trans-105.9149.4179-59.4174.1000110.3L19 I24 Y28 V189 F199 L202 C206L19-L32 HydrophobicContact CD1-CB 3.8Å; L19-L32 WeakPolarHBondContact CD1-O 3.5Å; L19-L32 HydrophobicContact CD2-CB 3.96Å; L19-L32 HydrophobicContact CD2-CD1 4.4Å; I24-L32 HydrophobicContact CG2-CD1 3.8Å; Y28-L32 PolarHBondContact O-N 3.27Å; L32-V189 HydrophobicContact CD2-CG2 3.74Å; L32-F199 HydrophobicContact CD2-CD1 4.04Å; L32-F199 HydrophobicContact CD2-CE1 3.91Å; L32-L202 HydrophobicContact CD1-CD1 4.15Å; L32-L202 HydrophobicContact CD1-CD2 3.67Å; L32-L202 HydrophobicContact CD2-CD2 4.08Å; L32-C206 HydrophobicContact CD1-CB 4.15Å; L32-C206 HydrophobicContact CD2-CB 3.84Å; L32-C206 HydrophobicContact CG-CB 4.41Å
33E97.8Very high98.1Very high89 Ų8947.1 Ų47.142%0.41627%0.265SS..EExtended strand (participates in β ladder)trans-93.3-41176.1-170-176.6167.700111.3V207E33-V207 HydrophobicContact CB-CB 4.38Å; E33-V207 HydrophobicContact CB-CG1 4.42Å; E33-V207 PolarHBondContact N-O 3.21Å; E33-V207 WeakPolarHBondContact OE2-CG1 3.44Å
34R97.9Very high98.1Very high68 Ų6846.5 Ų46.526%0.25725%0.254SS..EExtended strand (participates in β ladder)trans-171151.4-17245.8-169.3110-164.6-6.9112.3Q15 C206 V207Q15-R34 WeakPolarHBondContact O-CD 3.45Å; Q15-R34 PolarHBondContact O-NH1 3.34Å; R34-C206 VanDerWaalsContact O-CA 3.29Å; R34-C206 WeakPolarHBondContact O-CA 3.17Å; R34-C206 VanDerWaalsContact O-CB 3.31Å; R34-C206 WeakPolarHBondContact O-CB 3.16Å; R34-V207 HydrophobicContact CG-CB 4.03Å; R34-V207 HydrophobicContact CG-CG2 4.15Å; R34-V207 PolarHBondContact O-N 3.27Å
35V98.6Very high98.1Very high0 Ų046.1 Ų46.10%025%0.251CS..EExtended strand (participates in β ladder)trans-73.1124.6168.1175.60000108.4G16 Y17 L19 F22 I24 P38 H204G16-V35 CarbonylContact C-O 3.6Å; G16-V35 WeakPolarHBondContact CA-O 3.39Å; Y17-V35 HydrophobicContact CD2-CG1 4.49Å; Y17-V35 PolarHBondContact N-O 3.04Å; Y17-V35 PolarHBondContact O-N 2.97Å; L19-V35 HydrophobicContact CD2-CG2 3.93Å; F22-V35 HydrophobicContact CB-CG2 4.2Å; F22-V35 HydrophobicContact CD2-CB 4.18Å; F22-V35 HydrophobicContact CD2-CG1 4.47Å; F22-V35 HydrophobicContact CD2-CG2 3.73Å; F22-V35 HydrophobicContact CE2-CB 4.33Å; F22-V35 HydrophobicContact CE2-CG1 4.44Å; F22-V35 HydrophobicContact CE2-CG2 4.36Å; F22-V35 HydrophobicContact CG-CG2 4.01Å; I24-V35 HydrophobicContact CD1-CG2 3.88Å; V35-P38 HydrophobicContact CG1-CG 4.2Å; V35-H204 HydrophobicContact CG1-CB 4.06Å; V35-H204 HydrophobicContact CG2-CB 4.45Å
36Y97.6Very high98.2Very high5 Ų544.5 Ų44.52%0.0224%0.24CC..EExtended strand (participates in β ladder)trans-99.6-46.4-177.7-156.2-122.8000112.3I10 E14 V183 P184 K186 V188 I205 V207I10-Y36 HydrophobicContact CD1-CD1 4.48Å; I10-Y36 HydrophobicContact CD1-CE1 4.16Å; I10-Y36 HydrophobicContact CG2-CE1 4.16Å; I10-Y36 HydrophobicContact CG2-CE2 4.35Å; I10-Y36 WeakPolarHBondContact CG2-OH 3.27Å; E14-Y36 HydrophobicContact CB-CE2 4.32Å; E14-Y36 HydrophobicContact CG-CE2 4.02Å; Y36-V183 HydrophobicContact CE1-CB 4.19Å; Y36-V183 HydrophobicContact CE1-CG1 4.22Å; Y36-P184 WeakPolarHBondContact OH-CD 3.32Å; Y36-P184 WeakPolarHBondContact OH-CG 3.41Å; Y36-K186 HydrophobicContact CE2-CD 4.4Å; Y36-V188 HydrophobicContact CD1-CG1 4.13Å; Y36-I205 WeakPolarHBondContact CA-O 3.42Å; Y36-I205 WeakPolarHBondContact CB-O 3.3Å; Y36-I205 PolarHBondContact N-O 3.31Å; Y36-V207 HydrophobicContact CD2-CG2 4.04Å; Y36-V207 HydrophobicContact CG-CG2 4.11Å
37I98.6Very high98.2Very high0 Ų038.7 Ų38.70%022%0.216CC..EExtended strand (participates in β ladder)trans-132.1112.3174.5-46.2179.5000108I10 L41 I42 L164 F181 V183 I205I10-I37 HydrophobicContact CD1-CD1 3.66Å; I10-I37 HydrophobicContact CD1-CG1 3.62Å; I37-L41 HydrophobicContact CG2-CB 4.33Å; I37-L41 HydrophobicContact CG2-CD2 4.02Å; I37-L41 HydrophobicContact CG2-CG 4.24Å; I37-I42 HydrophobicContact CB-CG1 4.36Å; I37-I42 HydrophobicContact CG2-CD1 4.39Å; I37-I42 HydrophobicContact CG2-CG1 3.68Å; I37-L164 HydrophobicContact CD1-CD2 3.66Å; I37-F181 HydrophobicContact CD1-CB 4.08Å; I37-F181 HydrophobicContact CD1-CD1 3.99Å; I37-F181 HydrophobicContact CD1-CD2 4.13Å; I37-F181 HydrophobicContact CD1-CG 3.8Å; I37-F181 HydrophobicContact CG2-CD1 4.32Å; I37-F181 HydrophobicContact CG2-CE1 3.85Å; I37-F181 HydrophobicContact CG2-CE2 4.27Å; I37-F181 HydrophobicContact CG2-CZ 3.83Å; I37-V183 HydrophobicContact CD1-CG1 4.2Å; I37-I205 HydrophobicContact CB-CB 4.07Å; I37-I205 HydrophobicContact CB-CD1 4.42Å; I37-I205 HydrophobicContact CD1-CD1 4.22Å; I37-I205 HydrophobicContact CG1-CB 4.39Å; I37-I205 PolarHBondContact N-O 3.45Å; I37-I205 PolarHBondContact O-N 3.31Å
38P98.8Very high98.3Very high20 Ų2040.4 Ų40.413%0.1322%0.218CC..  trans-60.6143.1177-2635.6000112.3Y17 F22 V35 G40 L41 I42Y17-P38 HydrophobicContact CD2-CG 4.16Å; Y17-P38 HydrophobicContact CE2-CG 3.95Å; F22-P38 HydrophobicContact CE1-CB 3.99Å; F22-P38 HydrophobicContact CE1-CG 4.06Å; F22-P38 HydrophobicContact CZ-CG 4.07Å; V35-P38 HydrophobicContact CG1-CG 4.2Å; P38-G40 VanDerWaalsContact C-N 3.27Å; P38-G40 PolarHBondContact O-N 3Å; P38-L41 WeakPolarHBondContact O-CB 3.46Å; P38-L41 PolarHBondContact O-N 3.2Å; P38-I42 PolarHBondContact O-N 2.94Å
39H98.8Very high98.2Very high50 Ų5040 Ų4023%0.23122%0.217CC..Hα-helixtrans-51.8-42.7179.2178.1-117.8000113.3L41 I42 L43 Y191 N203 H204H39-L41 VanDerWaalsContact C-N 3.33Å; H39-L41 PolarHBondContact O-N 2.99Å; H39-I42 WeakPolarHBondContact O-CB 3.05Å; H39-I42 PolarHBondContact O-N 2.88Å; H39-L43 PolarHBondContact O-N 3.11Å; H39-L43 VanDerWaalsContact O-N 3.1Å; H39-Y191 AromaticContact CD2-CD2 3.9Å; H39-Y191 AromaticContact CD2-CE2 3.86Å; H39-N203 HydrophobicContact CB-CB 4.09Å; H39-H204 PolarHBondContact N-ND1 3.13Å
40G98.8Very high98.3Very high39 Ų3937.6 Ų37.640%0.40220%0.197SC..Hα-helixtrans-60-41.117700000113.2P38 I42 L43 D44P38-G40 VanDerWaalsContact C-N 3.27Å; P38-G40 PolarHBondContact O-N 3Å; G40-I42 VanDerWaalsContact C-N 3.3Å; G40-I42 PolarHBondContact O-N 3.11Å; G40-L43 WeakPolarHBondContact O-CB 3.47Å; G40-L43 PolarHBondContact O-N 3.48Å; G40-L43 VanDerWaalsContact O-N 3.15Å; G40-D44 PolarHBondContact O-N 2.78Å
41L98.8Very high98.3Very high68 Ų6840.2 Ų40.236%0.35619%0.192SC..Hα-helixtrans-65.7-34.7178-178.759.4000111.8I37 P38 H39 R45 F181I37-L41 HydrophobicContact CG2-CB 4.33Å; I37-L41 HydrophobicContact CG2-CD2 4.02Å; I37-L41 HydrophobicContact CG2-CG 4.24Å; P38-L41 WeakPolarHBondContact O-CB 3.46Å; P38-L41 PolarHBondContact O-N 3.2Å; H39-L41 VanDerWaalsContact C-N 3.33Å; H39-L41 PolarHBondContact O-N 2.99Å; L41-R45 WeakPolarHBondContact O-CB 3.31Å; L41-R45 PolarHBondContact O-N 3.08Å; L41-F181 HydrophobicContact CD2-CE1 4.04Å; L41-F181 HydrophobicContact CG-CE1 3.9Å; L41-F181 HydrophobicContact CG-CZ 4Å
42I98.8Very high98.2Very high0 Ų041.3 Ų41.30%020%0.197CC..Hα-helixtrans-62.2-46173.3-61.2169.1000110.1I37 P38 H39 G40 R45 T46 L163 F181 Y191 I205I37-I42 HydrophobicContact CB-CG1 4.36Å; I37-I42 HydrophobicContact CG2-CD1 4.39Å; I37-I42 HydrophobicContact CG2-CG1 3.68Å; P38-I42 PolarHBondContact O-N 2.94Å; H39-I42 WeakPolarHBondContact O-CB 3.05Å; H39-I42 PolarHBondContact O-N 2.88Å; G40-I42 VanDerWaalsContact C-N 3.3Å; G40-I42 PolarHBondContact O-N 3.11Å; I42-R45 PolarHBondContact O-N 3.2Å; I42-T46 VanDerWaalsContact O-CB 3.24Å; I42-T46 WeakPolarHBondContact O-CB 3.4Å; I42-T46 PolarHBondContact O-N 3.31Å; I42-T46 PolarHBondContact O-OG1 3.35Å; I42-L163 HydrophobicContact CG2-CD1 3.94Å; I42-L163 HydrophobicContact CG2-CD2 4.13Å; I42-F181 HydrophobicContact CG1-CE2 4.49Å; I42-Y191 HydrophobicContact CD1-CD1 4.34Å; I42-Y191 HydrophobicContact CD1-CD2 4.18Å; I42-Y191 HydrophobicContact CD1-CG 3.96Å; I42-Y191 HydrophobicContact CG2-CD1 4.05Å; I42-Y191 HydrophobicContact CG2-CD2 4.41Å; I42-Y191 HydrophobicContact CG2-CE1 3.56Å; I42-Y191 HydrophobicContact CG2-CE2 3.99Å; I42-Y191 HydrophobicContact CG2-CG 4.42Å; I42-I205 HydrophobicContact CD1-CB 4.46Å; I42-I205 HydrophobicContact CD1-CD1 3.48Å; I42-I205 VanDerWaalsContact CD1-CD1 3.48Å; I42-I205 HydrophobicContact CD1-CG1 3.65Å; I42-I205 HydrophobicContact CG1-CD1 4.17Å
43L98.8Very high98.1Very high44 Ų4440.9 Ų40.923%0.2320%0.195CC..Hα-helixtrans-62.7-47.1179.3-67.4-178.5000111.8H39 G40 R45 T46 E47 D77 Y81H39-L43 PolarHBondContact O-N 3.11Å; H39-L43 VanDerWaalsContact O-N 3.1Å; G40-L43 WeakPolarHBondContact O-CB 3.47Å; G40-L43 PolarHBondContact O-N 3.48Å; G40-L43 VanDerWaalsContact O-N 3.15Å; L43-R45 VanDerWaalsContact C-N 3.34Å; L43-R45 PolarHBondContact O-N 3.48Å; L43-T46 PolarHBondContact O-N 3.49Å; L43-E47 PolarHBondContact O-N 2.97Å; L43-D77 HydrophobicContact CD2-CB 4.31Å; L43-D77 WeakPolarHBondContact CD2-OD2 3.41Å; L43-Y81 WeakPolarHBondContact O-CE2 3.39Å; L43-Y81 PolarHBondContact O-OH 3.33Å
44D98.8Very high98Very high106 Ų10637.9 Ų37.957%0.56718%0.181SC*.Hα-helixtrans-60.4-44.4178.1-68.2-21.4000111.4G40 E47 R48G40-D44 PolarHBondContact O-N 2.78Å; D44-E47 PolarHBondContact O-N 3.3Å; D44-R48 PolarHBondContact O-N 3.47Å
45R98.6Very high97.8Very high18 Ų1843.1 Ų43.17%0.06821%0.205CC..Hα-helixtrans-67.2-39.9177.7-178.754.6-176.6148.95111.4S5 S6 V8 L41 I42 L43 R48 L49 E52 V179 G180 F181S5-R45 PolarHBondContact OG-NH2 3.4Å; S6-R45 PolarHBondContact O-NH2 3.25Å; V8-R45 HydrophobicContact CG2-CG 4.39Å; L41-R45 WeakPolarHBondContact O-CB 3.31Å; L41-R45 PolarHBondContact O-N 3.08Å; I42-R45 PolarHBondContact O-N 3.2Å; L43-R45 VanDerWaalsContact C-N 3.34Å; L43-R45 PolarHBondContact O-N 3.48Å; R45-R48 WeakPolarHBondContact O-CB 3.14Å; R45-R48 PolarHBondContact O-N 2.81Å; R45-L49 WeakPolarHBondContact O-CG 3.49Å; R45-L49 PolarHBondContact O-N 3.22Å; R45-E52 IonicContact NH1-OE1 2.74Å; R45-E52 IonicContact NH2-OE2 3.44Å; R45-V179 PolarHBondContact NE-O 3.33Å; R45-V179 PolarHBondContact NH2-O 3.17Å; R45-G180 PolarHBondContact NE-O 3.02Å; R45-F181 HydrophobicContact CB-CE1 4.42Å; R45-F181 HydrophobicContact CB-CE2 3.8Å; R45-F181 HydrophobicContact CB-CZ 3.53Å; R45-F181 HydrophobicContact CG-CD2 4.45Å; R45-F181 HydrophobicContact CG-CE2 3.82Å; R45-F181 HydrophobicContact CG-CZ 3.86Å
46T98.7Very high97.5Very high0 Ų047.2 Ų47.20%023%0.225CC..Hα-helixtrans-64.9-38.3178.8-590000111.6I42 L43 R48 L49 A50 F74 D77 L78 Y81I42-T46 VanDerWaalsContact O-CB 3.24Å; I42-T46 WeakPolarHBondContact O-CB 3.4Å; I42-T46 PolarHBondContact O-N 3.31Å; I42-T46 PolarHBondContact O-OG1 3.35Å; L43-T46 PolarHBondContact O-N 3.49Å; T46-R48 VanDerWaalsContact C-N 3.3Å; T46-R48 PolarHBondContact O-N 3.06Å; T46-L49 PolarHBondContact O-N 2.65Å; T46-A50 PolarHBondContact O-N 3.17Å; T46-F74 HydrophobicContact CG2-CD2 4.1Å; T46-F74 HydrophobicContact CG2-CE2 3.85Å; T46-D77 HydrophobicContact CG2-CB 4.46Å; T46-L78 HydrophobicContact CG2-CB 3.85Å; T46-L78 HydrophobicContact CG2-CD1 4.04Å; T46-Y81 HydrophobicContact CG2-CD2 3.99Å; T46-Y81 HydrophobicContact CG2-CE2 4.26Å
47E98.5Very high97.4Very high64 Ų6447.1 Ų47.130%0.29922%0.224SC..Hα-helixtrans-58.2-45.1172.6-174-173.4164.200111.2L43 D44 L49 A50 R51 Y81L43-E47 PolarHBondContact O-N 2.97Å; D44-E47 PolarHBondContact O-N 3.3Å; E47-L49 PolarHBondContact O-N 3.03Å; E47-A50 WeakPolarHBondContact O-CB 3.47Å; E47-A50 PolarHBondContact O-N 2.93Å; E47-R51 PolarHBondContact O-N 3.14Å; E47-R51 IonicContact OE1-CZ 3.52Å; E47-R51 IonicContact OE1-NE 3.87Å; E47-R51 PolarHBondContact OE1-NE 2.97Å; E47-R51 IonicContact OE1-NH2 2.74Å; E47-R51 PolarHBondContact OE1-NH2 3.46Å; E47-Y81 HydrophobicContact CB-CD1 3.81Å; E47-Y81 HydrophobicContact CB-CD2 4.1Å; E47-Y81 HydrophobicContact CB-CE1 3.72Å; E47-Y81 HydrophobicContact CB-CE2 4Å; E47-Y81 HydrophobicContact CB-CG 4Å; E47-Y81 HydrophobicContact CG-CD1 3.63Å; E47-Y81 HydrophobicContact CG-CE1 3.8Å; E47-Y81 HydrophobicContact CG-CG 4.13Å
48R98.2Very high96.7Very high135 Ų13548 Ų4851%0.50923%0.234SC..Hα-helixtrans-62.8-42177.1175.457.2-178.5-120.3-5.9111.9D44 R45 T46 A50 R51 E52D44-R48 PolarHBondContact O-N 3.47Å; R45-R48 WeakPolarHBondContact O-CB 3.14Å; R45-R48 PolarHBondContact O-N 2.81Å; T46-R48 VanDerWaalsContact C-N 3.3Å; T46-R48 PolarHBondContact O-N 3.06Å; R48-A50 VanDerWaalsContact C-N 3.32Å; R48-A50 PolarHBondContact O-N 2.99Å; R48-R51 WeakPolarHBondContact O-CB 3.49Å; R48-R51 PolarHBondContact O-N 3.47Å; R48-E52 IonicContact CZ-OE1 3.06Å; R48-E52 IonicContact NE-OE1 3.24Å; R48-E52 PolarHBondContact NE-OE1 2.59Å; R48-E52 IonicContact NH2-OE1 3.46Å; R48-E52 PolarHBondContact NH2-OE1 2.97Å; R48-E52 PolarHBondContact O-N 3.05Å; R48-E52 VanDerWaalsContact O-N 3.08Å
49L98.1Very high96.1Very high0 Ų050.9 Ų50.90%027%0.267CS..Hα-helixtrans-60.4-41.6176.5-68.4-179.4000111.9R45 T46 E47 R51 E52 I53 F74 L78 F178R45-L49 WeakPolarHBondContact O-CG 3.49Å; R45-L49 PolarHBondContact O-N 3.22Å; T46-L49 PolarHBondContact O-N 2.65Å; E47-L49 PolarHBondContact O-N 3.03Å; L49-R51 VanDerWaalsContact C-N 3.27Å; L49-R51 PolarHBondContact O-N 2.75Å; L49-E52 PolarHBondContact O-N 3.48Å; L49-E52 VanDerWaalsContact O-N 3.11Å; L49-I53 WeakPolarHBondContact O-CD1 3.35Å; L49-I53 WeakPolarHBondContact O-CG1 3.4Å; L49-I53 PolarHBondContact O-N 3.19Å; L49-F74 HydrophobicContact CD1-CE2 3.98Å; L49-F74 HydrophobicContact CD1-CZ 3.75Å; L49-L78 HydrophobicContact CB-CD1 4.13Å; L49-F178 HydrophobicContact CD2-CB 4.23Å
50A97.5Very high95.6Very high0 Ų052.2 Ų52.20%027%0.273CS..Hα-helixtrans-56.8-41.6175.700000112T46 E47 R48 M54 L78 Y81 I82 L85T46-A50 PolarHBondContact O-N 3.17Å; E47-A50 WeakPolarHBondContact O-CB 3.47Å; E47-A50 PolarHBondContact O-N 2.93Å; R48-A50 VanDerWaalsContact C-N 3.32Å; R48-A50 PolarHBondContact O-N 2.99Å; A50-M54 WeakPolarHBondContact O-CB 3.29Å; A50-M54 VanDerWaalsContact O-CG 3.31Å; A50-M54 WeakPolarHBondContact O-CG 3.49Å; A50-M54 PolarHBondContact O-N 3.18Å; A50-L78 HydrophobicContact CB-CD1 3.98Å; A50-Y81 VanDerWaalsContact CB-CB 3.48Å; A50-I82 HydrophobicContact CB-CG1 3.74Å; A50-L85 HydrophobicContact CB-CD1 4.15Å
51R96Very high95.3Very high128 Ų12852.3 Ų52.348%0.48326%0.263SS..Hα-helixtrans-66.2-39176.4-65176.5-172.3-92.83.3112.3E47 R48 L49 K55 L85E47-R51 PolarHBondContact O-N 3.14Å; E47-R51 IonicContact OE1-CZ 3.52Å; E47-R51 IonicContact OE1-NE 3.87Å; E47-R51 PolarHBondContact OE1-NE 2.97Å; E47-R51 IonicContact OE1-NH2 2.74Å; E47-R51 PolarHBondContact OE1-NH2 3.46Å; R48-R51 WeakPolarHBondContact O-CB 3.49Å; R48-R51 PolarHBondContact O-N 3.47Å; L49-R51 VanDerWaalsContact C-N 3.27Å; L49-R51 PolarHBondContact O-N 2.75Å; R51-K55 WeakPolarHBondContact O-CB 3.49Å; R51-K55 PolarHBondContact O-N 2.99Å; R51-L85 HydrophobicContact CB-CD1 4.37Å; R51-L85 HydrophobicContact CG-CD1 3.77Å; R51-L85 HydrophobicContact CG-CD2 3.99Å
52E96.3Very high95.2Very high25 Ų2549 Ų4912%0.11725%0.246CC..Hα-helixtrans-65.7-46176.7-70.5173.7-170.900111.5S5 R45 R48 L49 K55 E56 F178S5-E52 WeakPolarHBondContact CB-OE2 3.41Å; S5-E52 PolarHBondContact OG-OE2 3.39Å; R45-E52 IonicContact NH1-OE1 2.74Å; R45-E52 IonicContact NH2-OE2 3.44Å; R48-E52 IonicContact CZ-OE1 3.06Å; R48-E52 IonicContact NE-OE1 3.24Å; R48-E52 PolarHBondContact NE-OE1 2.59Å; R48-E52 IonicContact NH2-OE1 3.46Å; R48-E52 PolarHBondContact NH2-OE1 2.97Å; R48-E52 PolarHBondContact O-N 3.05Å; R48-E52 VanDerWaalsContact O-N 3.08Å; L49-E52 PolarHBondContact O-N 3.48Å; L49-E52 VanDerWaalsContact O-N 3.11Å; E52-K55 WeakPolarHBondContact O-CB 3.41Å; E52-K55 PolarHBondContact O-N 3.39Å; E52-E56 PolarHBondContact O-N 3.04Å; E52-E56 VanDerWaalsContact O-N 3.11Å; E52-F178 HydrophobicContact CB-CD1 4.1Å; E52-F178 HydrophobicContact CB-CE1 4.16Å
53I95.9Very high95.1Very high0 Ų049.5 Ų49.50%025%0.249CC..Hα-helixtrans-59.7-48.3175.4-73157.5000110.8L49 K55 E56 M57 L78 I82 L131 A161 F178L49-I53 WeakPolarHBondContact O-CD1 3.35Å; L49-I53 WeakPolarHBondContact O-CG1 3.4Å; L49-I53 PolarHBondContact O-N 3.19Å; I53-K55 VanDerWaalsContact C-N 3.27Å; I53-K55 PolarHBondContact O-N 3.15Å; I53-E56 PolarHBondContact O-N 2.85Å; I53-M57 HydrophobicContact CG2-SD 4.22Å; I53-M57 WeakPolarHBondContact O-CB 3.45Å; I53-M57 PolarHBondContact O-N 3.43Å; I53-L78 HydrophobicContact CD1-CD1 3.89Å; I53-L78 HydrophobicContact CD1-CD2 3.88Å; I53-L78 HydrophobicContact CD1-CG 4.35Å; I53-I82 HydrophobicContact CG2-CD1 4.1Å; I53-L131 HydrophobicContact CD1-CD1 4.3Å; I53-L131 HydrophobicContact CD1-CD2 4.12Å; I53-L131 HydrophobicContact CG1-CD1 4.4Å; I53-L131 HydrophobicContact CG2-CD2 3.88Å; I53-A161 HydrophobicContact CD1-CB 4.22Å; I53-F178 HydrophobicContact CB-CE2 4.5Å; I53-F178 HydrophobicContact CB-CZ 4.43Å; I53-F178 HydrophobicContact CD1-CD2 4.22Å; I53-F178 HydrophobicContact CD1-CG 4.32Å; I53-F178 HydrophobicContact CG1-CB 4.48Å; I53-F178 HydrophobicContact CG1-CD1 3.94Å; I53-F178 HydrophobicContact CG1-CD2 3.54Å; I53-F178 HydrophobicContact CG1-CE1 3.99Å; I53-F178 HydrophobicContact CG1-CE2 3.59Å; I53-F178 HydrophobicContact CG1-CG 3.72Å; I53-F178 HydrophobicContact CG1-CZ 3.83Å
54M95Very high95Very high25 Ų2547.4 Ų47.412%0.12324%0.238CC..Hα-helixtrans-64.2-32179-75.6-57.6-65.100112.8A50 G58 I82 L85 N86 I93A50-M54 WeakPolarHBondContact O-CB 3.29Å; A50-M54 VanDerWaalsContact O-CG 3.31Å; A50-M54 WeakPolarHBondContact O-CG 3.49Å; A50-M54 PolarHBondContact O-N 3.18Å; M54-G58 WeakPolarHBondContact O-CA 3.34Å; M54-G58 PolarHBondContact O-N 3.02Å; M54-I82 HydrophobicContact CG-CG1 4.36Å; M54-I82 HydrophobicContact CG-CG2 4.06Å; M54-I82 HydrophobicContact SD-CG2 3.54Å; M54-I82 VanDerWaalsContact SD-CG2 3.54Å; M54-L85 HydrophobicContact CB-CD1 4.22Å; M54-L85 HydrophobicContact CG-CB 4.47Å; M54-L85 HydrophobicContact CG-CD1 3.84Å; M54-N86 WeakPolarHBondContact CE-OD1 3.42Å; M54-I93 HydrophobicContact CE-CD1 3.85Å; M54-I93 HydrophobicContact CE-CG1 3.94Å; M54-I93 HydrophobicContact SD-CD1 3.57Å; M54-I93 VanDerWaalsContact SD-CD1 3.57Å; M54-I93 HydrophobicContact SD-CG1 4.16Å
55K93.9Very high95Very high178 Ų17842.4 Ų42.477%0.77421%0.211SC*.Hα-helixtrans-66.7-41.1174.7-177.4-177176.4-174.70112R51 E52 I53R51-K55 WeakPolarHBondContact O-CB 3.49Å; R51-K55 PolarHBondContact O-N 2.99Å; E52-K55 WeakPolarHBondContact O-CB 3.41Å; E52-K55 PolarHBondContact O-N 3.39Å; I53-K55 VanDerWaalsContact C-N 3.27Å; I53-K55 PolarHBondContact O-N 3.15Å
56E94.2Very high95Very high87 Ų8741.5 Ų41.541%0.40721%0.207SC..Hα-helixtrans-88.4-37.3-174.1-172.1168.5161.700113.3E52 I53 K159 F178E52-E56 PolarHBondContact O-N 3.04Å; E52-E56 VanDerWaalsContact O-N 3.11Å; I53-E56 PolarHBondContact O-N 2.85Å; E56-K159 WeakPolarHBondContact OE1-CE 3.47Å; E56-K159 IonicContact OE1-NZ 3.78Å; E56-K159 PolarHBondContact OE1-NZ 3.22Å; E56-F178 HydrophobicContact CB-CZ 4.11Å; E56-F178 HydrophobicContact CG-CZ 4.47Å
57M93.9Very high94.9Very high2 Ų241.7 Ų41.71%0.0121%0.208CC..Hα-helixtrans-109.2-8.9-173.1-57.6-177.172.900113.7I53 G59 H60 I62 N129 L131 M157 K159 F178I53-M57 HydrophobicContact CG2-SD 4.22Å; I53-M57 WeakPolarHBondContact O-CB 3.45Å; I53-M57 PolarHBondContact O-N 3.43Å; M57-G59 PolarHBondContact O-N 3.44Å; M57-H60 PolarHBondContact O-N 2.67Å; M57-I62 HydrophobicContact CB-CD1 3.45Å; M57-I62 VanDerWaalsContact CB-CD1 3.45Å; M57-I62 HydrophobicContact CB-CG1 4.15Å; M57-I62 HydrophobicContact CE-CD1 4.3Å; M57-I62 HydrophobicContact CE-CG1 4.29Å; M57-I62 HydrophobicContact CE-CG2 4.36Å; M57-I62 HydrophobicContact SD-CD1 4.4Å; M57-N129 HydrophobicContact CE-CB 3.96Å; M57-L131 HydrophobicContact CE-CB 4.1Å; M57-L131 HydrophobicContact SD-CB 4.29Å; M57-L131 HydrophobicContact SD-CD1 4.07Å; M57-M157 HydrophobicContact CE-SD 4.41Å; M57-M157 HydrophobicContact CG-SD 4.22Å; M57-K159 HydrophobicContact CE-CB 4.06Å; M57-K159 HydrophobicContact CE-CG 4.03Å; M57-K159 HydrophobicContact CG-CG 4.22Å; M57-K159 HydrophobicContact SD-CB 3.66Å; M57-K159 HydrophobicContact SD-CG 3.69Å; M57-F178 HydrophobicContact SD-CE2 4.22Å
58G84.3Confident94.7Very high20 Ų2041.5 Ų41.521%0.20621%0.209CC..THydrogen-bonded Turntrans-72.520.1-172.900000116.9M54 I93M54-G58 WeakPolarHBondContact O-CA 3.34Å; M54-G58 PolarHBondContact O-N 3.02Å; G58-I93 VanDerWaalsContact C-CG2 3.46Å; G58-I93 WeakPolarHBondContact O-CG2 3.4Å
59G86.6Confident94.6Very high79 Ų7938.8 Ų38.881%0.81420%0.201SC*.THydrogen-bonded Turntrans-102.3-7.2173.800000114.4M57M57-G59 PolarHBondContact O-N 3.44Å
60H87.8Confident94.4Very high78 Ų7839.1 Ų39.136%0.36120%0.204SC..SBendtrans-149167-176.6-157.869.3000111.6M57 I62 Q156M57-H60 PolarHBondContact O-N 2.67Å; H60-I62 PolarHBondContact O-N 2.83Å; H60-Q156 PolarHBondContact CD2-OE1 2.96Å; H60-Q156 VanDerWaalsContact CD2-OE1 3.25Å
61H92.6Very high94.3Very high41 Ų4139.1 Ų39.119%0.1920%0.204CC..  trans-56.1128.2174.2-174.2142000110.6P94 T96 N129H61-P94 HydrophobicContact CB-CG 3.96Å; H61-T96 PolarHBondContact NE2-OG1 3.24Å; H61-N129 WeakPolarHBondContact O-CB 3.45Å
62I96.1Very high94.4Very high0 Ų037.6 Ų37.60%020%0.199CC..EExtended strand (participates in β ladder)trans-104.6130174.1-60.6177000111.4M57 H60 I93 P94 M95 T96 N129 L131M57-I62 HydrophobicContact CB-CD1 3.45Å; M57-I62 VanDerWaalsContact CB-CD1 3.45Å; M57-I62 HydrophobicContact CB-CG1 4.15Å; M57-I62 HydrophobicContact CE-CD1 4.3Å; M57-I62 HydrophobicContact CE-CG1 4.29Å; M57-I62 HydrophobicContact CE-CG2 4.36Å; M57-I62 HydrophobicContact SD-CD1 4.4Å; H60-I62 PolarHBondContact O-N 2.83Å; I62-I93 HydrophobicContact CB-CD1 4.44Å; I62-I93 HydrophobicContact CD1-CD1 3.31Å; I62-I93 HydrophobicContact CG1-CD1 3.75Å; I62-P94 PolarHBondContact N-O 2.85Å; I62-M95 HydrophobicContact CB-CG 4.33Å; I62-M95 VanDerWaalsContact O-CA 3.29Å; I62-M95 WeakPolarHBondContact O-CA 3.12Å; I62-T96 PolarHBondContact O-N 3.1Å; I62-N129 CarbonylContact C-O 3.55Å; I62-N129 WeakPolarHBondContact CA-O 3.44Å; I62-N129 HydrophobicContact CG1-CB 4.42Å; I62-L131 HydrophobicContact CG2-CB 3.71Å
63V97.3Very high94.6Very high10 Ų1039.1 Ų39.16%0.06121%0.205CC..EExtended strand (participates in β ladder)trans-94.9110.2163.4-172.50000107.6L125 K128 N129 V130 L131V63-L125 HydrophobicContact CB-CD2 4.05Å; V63-L125 HydrophobicContact CG1-CD2 3.61Å; V63-L125 HydrophobicContact CG2-CD2 4.28Å; V63-K128 HydrophobicContact CG2-CB 3.79Å; V63-K128 HydrophobicContact CG2-CG 3.96Å; V63-N129 PolarHBondContact N-O 2.69Å; V63-V130 WeakPolarHBondContact O-CA 3.04Å; V63-L131 PolarHBondContact O-N 2.91Å
64A97.8Very high94.7Very high0 Ų039.1 Ų39.10%021%0.205CC..EExtended strand (participates in β ladder)trans-90.1114.217900000109.8F75 L79 M95 T96 V97 D98 L131A64-F75 HydrophobicContact CB-CE2 3.72Å; A64-F75 HydrophobicContact CB-CZ 4.07Å; A64-L79 HydrophobicContact CB-CD1 4.19Å; A64-L79 HydrophobicContact CB-CD2 4.43Å; A64-M95 HydrophobicContact CB-CE 3.95Å; A64-T96 PolarHBondContact N-O 2.87Å; A64-V97 WeakPolarHBondContact O-CA 3.46Å; A64-D98 PolarHBondContact O-N 3.02Å; A64-L131 CarbonylContact C-O 3.6Å; A64-L131 WeakPolarHBondContact CA-O 3.02Å
65L97.7Very high94.9Very high0 Ų038.4 Ų38.40%020%0.201CC..EExtended strand (participates in β ladder)trans-107.5107.4-173.4-17364.3000110D98 I100 V130 L131 I132 V133 L150L65-D98 WeakPolarHBondContact CA-O 3.26Å; L65-D98 HydrophobicContact CD1-CB 3.84Å; L65-I100 HydrophobicContact CD1-CB 4.41Å; L65-I100 HydrophobicContact CD1-CD1 4.36Å; L65-I100 HydrophobicContact CD1-CG1 3.94Å; L65-I100 HydrophobicContact CD1-CG2 3.78Å; L65-I100 HydrophobicContact CD2-CD1 3.72Å; L65-I100 HydrophobicContact CD2-CG1 4.2Å; L65-I100 HydrophobicContact CG-CD1 3.94Å; L65-I100 HydrophobicContact CG-CG1 3.88Å; L65-V130 HydrophobicContact CB-CG1 4.32Å; L65-V130 HydrophobicContact CD2-CG1 4.49Å; L65-L131 PolarHBondContact N-O 2.85Å; L65-I132 HydrophobicContact CD2-CG1 4.46Å; L65-I132 WeakPolarHBondContact O-CA 3.47Å; L65-V133 PolarHBondContact O-N 2.82Å; L65-L150 HydrophobicContact CD2-CD1 4.25Å
66C98.1Very high95.1Very high0 Ų031.7 Ų31.70%018%0.179CC..EExtended strand (participates in β ladder)trans-82.7130.4178-176.10000110.9F75 D98 F99 I100C66-F75 HydrophobicContact CB-CB 4.18Å; C66-F75 HydrophobicContact CB-CD1 3.88Å; C66-F75 HydrophobicContact CB-CD2 3.59Å; C66-F75 HydrophobicContact CB-CE1 4.06Å; C66-F75 HydrophobicContact CB-CE2 3.77Å; C66-F75 HydrophobicContact CB-CG 3.62Å; C66-F75 HydrophobicContact CB-CZ 4Å; C66-D98 PolarHBondContact N-O 2.89Å; C66-F99 HydrophobicContact CB-CD1 3.57Å; C66-F99 HydrophobicContact CB-CE1 3.92Å; C66-F99 HydrophobicContact CB-CG 4.41Å; C66-I100 WeakPolarHBondContact O-CG1 3.38Å; C66-I100 PolarHBondContact O-N 2.79Å
67V96.4Very high95.3Very high4 Ų428.4 Ų28.42%0.02417%0.165CC..EExtended strand (participates in β ladder)trans-89.5114.6168.6-174.40000110G71 I100 L102 I132 V133 E134 M143 L146V67-G71 WeakPolarHBondContact O-CA 3.24Å; V67-G71 PolarHBondContact O-N 3.35Å; V67-G71 VanDerWaalsContact O-N 3.1Å; V67-I100 HydrophobicContact CG2-CD1 4.16Å; V67-I100 HydrophobicContact CG2-CG1 4.3Å; V67-L102 HydrophobicContact CG1-CD1 3.83Å; V67-L102 HydrophobicContact CG1-CG 3.96Å; V67-I132 HydrophobicContact CG2-CG2 3.86Å; V67-V133 PolarHBondContact N-O 3.05Å; V67-E134 WeakPolarHBondContact CB-OE1 3.38Å; V67-E134 VanDerWaalsContact CG1-OE2 3.29Å; V67-E134 WeakPolarHBondContact CG1-OE2 3.35Å; V67-M143 HydrophobicContact CG2-CE 4.31Å; V67-L146 HydrophobicContact CG2-CD2 4.27Å
68L96Very high95.6Very high59 Ų5928.3 Ų28.331%0.30916%0.164SC..EExtended strand (participates in β ladder)trans-89.6151.3-179.2-69.6-179.4000112.1F99 I100 R101L68-F99 HydrophobicContact CD1-CB 3.83Å; L68-F99 HydrophobicContact CD1-CD1 4.3Å; L68-F99 HydrophobicContact CD1-CG 4.46Å; L68-F99 HydrophobicContact CD2-CD1 4.19Å; L68-F99 HydrophobicContact CG-CB 4.29Å; L68-F99 HydrophobicContact CG-CD1 4.31Å; L68-I100 WeakPolarHBondContact CB-O 3.42Å; L68-I100 PolarHBondContact N-O 3.08Å; L68-R101 HydrophobicContact CB-CB 4.45Å
69K95.8Very high96.2Very high79 Ų7928.2 Ų28.234%0.34316%0.159SC..THydrogen-bonded Turncis-86-41.81-65-178.7-172.3166.50112.6G71 Y72 E197K69-G71 VanDerWaalsContact C-N 3.25Å; K69-G71 PolarHBondContact O-N 2.85Å; K69-G71 VanDerWaalsContact O-N 3.08Å; K69-Y72 WeakPolarHBondContact O-CD1 3.12Å; K69-Y72 PolarHBondContact O-N 2.85Å; K69-Y72 VanDerWaalsContact O-N 3.07Å; K69-E197 IonicContact NZ-OE1 3.4Å; K69-E197 PolarHBondContact NZ-OE1 3.01Å; K69-E197 IonicContact NZ-OE2 3.01Å; K69-E197 PolarHBondContact NZ-OE2 3.4Å
70G94.6Very high96.8Very high6 Ų628.5 Ų28.56%0.06214%0.142CC..THydrogen-bonded Turntrans-59.3-28.6-163.200000115.5Y72 D135 A192G70-Y72 PolarHBondContact O-N 3.48Å; G70-D135 VanDerWaalsContact CA-OD2 3.24Å; G70-D135 WeakPolarHBondContact CA-OD2 3.4Å; G70-A192 WeakPolarHBondContact CA-O 3.23Å; G70-A192 WeakPolarHBondContact O-CB 3.42Å
71G95.3Very high97.3Very high0 Ų027.6 Ų27.60%014%0.136CC..THydrogen-bonded Turntrans-66.6-14.2177.100000115.7V67 K69 K73 F74 F75V67-G71 WeakPolarHBondContact O-CA 3.24Å; V67-G71 PolarHBondContact O-N 3.35Å; V67-G71 VanDerWaalsContact O-N 3.1Å; K69-G71 VanDerWaalsContact C-N 3.25Å; K69-G71 PolarHBondContact O-N 2.85Å; K69-G71 VanDerWaalsContact O-N 3.08Å; G71-K73 PolarHBondContact O-N 2.53Å; G71-F74 PolarHBondContact O-N 3.4Å; G71-F75 WeakPolarHBondContact O-CB 3.45Å; G71-F75 PolarHBondContact O-N 3.27Å
72Y98.1Very high97.5Very high97 Ų9725.7 Ų25.738%0.3813%0.127SC..Hα-helixtrans-61-37.7-166.586.8-86.7000114.5K69 G70 A76 A192K69-Y72 WeakPolarHBondContact O-CD1 3.12Å; K69-Y72 PolarHBondContact O-N 2.85Å; K69-Y72 VanDerWaalsContact O-N 3.07Å; G70-Y72 PolarHBondContact O-N 3.48Å; Y72-A76 WeakPolarHBondContact O-CB 3.45Å; Y72-A76 PolarHBondContact O-N 3.42Å; Y72-A192 HydrophobicContact CD1-CB 3.51Å; Y72-A192 HydrophobicContact CE1-CB 3.23Å
73K98.6Very high97.5Very high56 Ų5630.9 Ų30.924%0.24315%0.149CC..Hα-helixtrans-72.9-49.3179.8-84.9-58.4-60.6145.90112G71 F75 A76 D77 Y191 A192G71-K73 PolarHBondContact O-N 2.53Å; K73-F75 VanDerWaalsContact C-N 3.27Å; K73-F75 PolarHBondContact O-N 3.07Å; K73-A76 PolarHBondContact O-N 3.48Å; K73-D77 IonicContact NZ-OD1 3.09Å; K73-D77 PolarHBondContact NZ-OD1 2.95Å; K73-D77 IonicContact NZ-OD2 2.81Å; K73-D77 PolarHBondContact O-N 3.05Å; K73-Y191 HydrophobicContact CB-CD1 4.44Å; K73-Y191 HydrophobicContact CB-CE1 4.28Å; K73-Y191 HydrophobicContact CB-CE2 4.37Å; K73-A192 HydrophobicContact CB-CB 3.81Å; K73-A192 HydrophobicContact CG-CB 3.86Å
74F98.8Very high97.6Very high1 Ų131.4 Ų31.40%0.00416%0.155CC..Hα-helixtrans-58.5-42.8175.7176.8-132.5000111.4T46 L49 G71 L78 V133 E134 A161 L163 Y191T46-F74 HydrophobicContact CG2-CD2 4.1Å; T46-F74 HydrophobicContact CG2-CE2 3.85Å; L49-F74 HydrophobicContact CD1-CE2 3.98Å; L49-F74 HydrophobicContact CD1-CZ 3.75Å; G71-F74 PolarHBondContact O-N 3.4Å; F74-L78 HydrophobicContact CE2-CB 4.49Å; F74-L78 HydrophobicContact CZ-CD2 4.23Å; F74-L78 WeakPolarHBondContact O-CB 3.26Å; F74-L78 PolarHBondContact O-N 2.95Å; F74-V133 HydrophobicContact CD1-CG1 3.37Å; F74-V133 HydrophobicContact CE1-CG1 3.56Å; F74-V133 HydrophobicContact CG-CG1 4.26Å; F74-E134 WeakPolarHBondContact CD1-O 3.19Å; F74-A161 HydrophobicContact CE1-CB 4.35Å; F74-L163 HydrophobicContact CB-CB 4.41Å; F74-L163 HydrophobicContact CB-CD2 4.43Å; F74-L163 HydrophobicContact CD1-CB 3.8Å; F74-L163 HydrophobicContact CD2-CB 4Å; F74-L163 HydrophobicContact CD2-CD1 4.08Å; F74-L163 HydrophobicContact CD2-CG 4.42Å; F74-L163 HydrophobicContact CE1-CB 4.02Å; F74-L163 HydrophobicContact CE2-CB 4.2Å; F74-L163 HydrophobicContact CE2-CD1 4.11Å; F74-L163 HydrophobicContact CG-CB 3.81Å; F74-L163 HydrophobicContact CG-CD2 4.49Å; F74-L163 HydrophobicContact CZ-CB 4.22Å; F74-Y191 HydrophobicContact CB-CE1 3.91Å
75F98.8Very high97.4Very high9 Ų932.9 Ų32.94%0.03916%0.163CC..Hα-helixtrans-58.3-51.3175.3179.5-100.1000112.5A64 C66 G71 K73 D77 L78 L79 V97 F99 V133A64-F75 HydrophobicContact CB-CE2 3.72Å; A64-F75 HydrophobicContact CB-CZ 4.07Å; C66-F75 HydrophobicContact CB-CB 4.18Å; C66-F75 HydrophobicContact CB-CD1 3.88Å; C66-F75 HydrophobicContact CB-CD2 3.59Å; C66-F75 HydrophobicContact CB-CE1 4.06Å; C66-F75 HydrophobicContact CB-CE2 3.77Å; C66-F75 HydrophobicContact CB-CG 3.62Å; C66-F75 HydrophobicContact CB-CZ 4Å; G71-F75 WeakPolarHBondContact O-CB 3.45Å; G71-F75 PolarHBondContact O-N 3.27Å; K73-F75 VanDerWaalsContact C-N 3.27Å; K73-F75 PolarHBondContact O-N 3.07Å; F75-D77 PolarHBondContact O-N 2.79Å; F75-L78 PolarHBondContact O-N 3.17Å; F75-L79 HydrophobicContact CD1-CD1 4.5Å; F75-L79 HydrophobicContact CD1-CD2 4.23Å; F75-L79 HydrophobicContact CD2-CD1 3.78Å; F75-L79 HydrophobicContact CE1-CD1 4.39Å; F75-L79 HydrophobicContact CE1-CD2 3.55Å; F75-L79 HydrophobicContact CE2-CD1 3.69Å; F75-L79 HydrophobicContact CE2-CD2 4Å; F75-L79 HydrophobicContact CG-CD1 4.23Å; F75-L79 HydrophobicContact CZ-CD1 4.01Å; F75-L79 HydrophobicContact CZ-CD2 3.43Å; F75-L79 VanDerWaalsContact CZ-CD2 3.43Å; F75-L79 HydrophobicContact CZ-CG 4.39Å; F75-L79 WeakPolarHBondContact O-CB 3.19Å; F75-L79 VanDerWaalsContact O-CD1 3.26Å; F75-L79 WeakPolarHBondContact O-CD1 3.39Å; F75-L79 PolarHBondContact O-N 3.17Å; F75-V97 HydrophobicContact CE1-CB 4.47Å; F75-V97 HydrophobicContact CE1-CG1 4.42Å; F75-V97 HydrophobicContact CZ-CB 4.01Å; F75-V97 HydrophobicContact CZ-CG1 3.97Å; F75-F99 HydrophobicContact CD1-CE1 4.06Å; F75-F99 AromaticContact CE1-CE1 3.78Å; F75-F99 HydrophobicContact CE1-CE1 3.78Å; F75-F99 AromaticContact CE1-CZ 3.86Å; F75-F99 HydrophobicContact CE1-CZ 3.86Å; F75-V133 HydrophobicContact CB-CB 4.44Å; F75-V133 HydrophobicContact CB-CG1 4.07Å; F75-V133 HydrophobicContact CD2-CB 3.75Å; F75-V133 HydrophobicContact CD2-CG1 4.2Å; F75-V133 HydrophobicContact CD2-CG2 3.73Å; F75-V133 HydrophobicContact CE2-CG2 4.26Å
76A98.8Very high97.2Very high38 Ų3834.3 Ų34.331%0.31417%0.17SC..Hα-helixtrans-58.8-50.6-179.200000111.7Y72 K73 L78 L79 D80Y72-A76 WeakPolarHBondContact O-CB 3.45Å; Y72-A76 PolarHBondContact O-N 3.42Å; K73-A76 PolarHBondContact O-N 3.48Å; A76-L78 PolarHBondContact O-N 2.92Å; A76-L79 PolarHBondContact O-N 3.07Å; A76-D80 PolarHBondContact O-N 3.21Å
77D98.8Very high97.1Very high18 Ų1843.2 Ų43.210%0.09620%0.204CC..Hα-helixtrans-67.4-38.9-176.5-61.9-0.6000110.7L43 T46 K73 F75 L79 D80 Y81 Y191L43-D77 HydrophobicContact CD2-CB 4.31Å; L43-D77 WeakPolarHBondContact CD2-OD2 3.41Å; T46-D77 HydrophobicContact CG2-CB 4.46Å; K73-D77 IonicContact NZ-OD1 3.09Å; K73-D77 PolarHBondContact NZ-OD1 2.95Å; K73-D77 IonicContact NZ-OD2 2.81Å; K73-D77 PolarHBondContact O-N 3.05Å; F75-D77 PolarHBondContact O-N 2.79Å; D77-L79 PolarHBondContact O-N 2.88Å; D77-D80 PolarHBondContact O-N 2.83Å; D77-Y81 WeakPolarHBondContact O-CD2 3.43Å; D77-Y81 PolarHBondContact O-N 3.28Å; D77-Y191 WeakPolarHBondContact CB-OH 3.47Å; D77-Y191 VanDerWaalsContact CG-OH 3.27Å; D77-Y191 WeakPolarHBondContact OD2-CE2 3.45Å; D77-Y191 PolarHBondContact OD2-OH 3.15Å
78L98.8Very high97Very high0 Ų049 Ų490%024%0.235CC..Hα-helixtrans-60.8-45.5174.6-179.764.3000112.1T46 L49 A50 I53 F74 F75 A76 D80 Y81 I82 V133 A161T46-L78 HydrophobicContact CG2-CB 3.85Å; T46-L78 HydrophobicContact CG2-CD1 4.04Å; L49-L78 HydrophobicContact CB-CD1 4.13Å; A50-L78 HydrophobicContact CB-CD1 3.98Å; I53-L78 HydrophobicContact CD1-CD1 3.89Å; I53-L78 HydrophobicContact CD1-CD2 3.88Å; I53-L78 HydrophobicContact CD1-CG 4.35Å; F74-L78 HydrophobicContact CE2-CB 4.49Å; F74-L78 HydrophobicContact CZ-CD2 4.23Å; F74-L78 WeakPolarHBondContact O-CB 3.26Å; F74-L78 PolarHBondContact O-N 2.95Å; F75-L78 PolarHBondContact O-N 3.17Å; A76-L78 PolarHBondContact O-N 2.92Å; L78-D80 VanDerWaalsContact C-N 3.33Å; L78-Y81 PolarHBondContact O-N 2.74Å; L78-I82 HydrophobicContact CG-CD1 4.2Å; L78-I82 WeakPolarHBondContact O-CG1 3.35Å; L78-I82 PolarHBondContact O-N 3.04Å; L78-V133 HydrophobicContact CD2-CG1 4.21Å; L78-V133 HydrophobicContact CD2-CG2 4.02Å; L78-A161 HydrophobicContact CD2-CB 4.29Å
79L98.3Very high96.6Very high17 Ų1748.9 Ų48.99%0.08924%0.239CC..Hα-helixtrans-67.7-33.8178.5-93.364.3000112A64 F75 A76 D77 I82 K83 M95 V97A64-L79 HydrophobicContact CB-CD1 4.19Å; A64-L79 HydrophobicContact CB-CD2 4.43Å; F75-L79 HydrophobicContact CD1-CD1 4.5Å; F75-L79 HydrophobicContact CD1-CD2 4.23Å; F75-L79 HydrophobicContact CD2-CD1 3.78Å; F75-L79 HydrophobicContact CE1-CD1 4.39Å; F75-L79 HydrophobicContact CE1-CD2 3.55Å; F75-L79 HydrophobicContact CE2-CD1 3.69Å; F75-L79 HydrophobicContact CE2-CD2 4Å; F75-L79 HydrophobicContact CG-CD1 4.23Å; F75-L79 HydrophobicContact CZ-CD1 4.01Å; F75-L79 HydrophobicContact CZ-CD2 3.43Å; F75-L79 VanDerWaalsContact CZ-CD2 3.43Å; F75-L79 HydrophobicContact CZ-CG 4.39Å; F75-L79 WeakPolarHBondContact O-CB 3.19Å; F75-L79 VanDerWaalsContact O-CD1 3.26Å; F75-L79 WeakPolarHBondContact O-CD1 3.39Å; F75-L79 PolarHBondContact O-N 3.17Å; A76-L79 PolarHBondContact O-N 3.07Å; D77-L79 PolarHBondContact O-N 2.88Å; L79-I82 PolarHBondContact O-N 3.05Å; L79-K83 WeakPolarHBondContact O-CB 3.39Å; L79-K83 WeakPolarHBondContact O-CE 3.43Å; L79-K83 VanDerWaalsContact O-CG 3.3Å; L79-K83 WeakPolarHBondContact O-CG 3.24Å; L79-K83 PolarHBondContact O-N 2.87Å; L79-M95 HydrophobicContact CD1-CE 4.36Å; L79-M95 HydrophobicContact CD2-CE 4.48Å; L79-M95 HydrophobicContact CG-CE 3.97Å; L79-V97 HydrophobicContact CD2-CG1 3.47Å; L79-V97 VanDerWaalsContact CD2-CG1 3.47Å
80D98.5Very high96.2Very high86 Ų8653.8 Ų53.846%0.4627%0.269SS..Hα-helixtrans-61.3-43.7173.9-81.1-14.6000111.8A76 D77 L78 K83 A84A76-D80 PolarHBondContact O-N 3.21Å; D77-D80 PolarHBondContact O-N 2.83Å; L78-D80 VanDerWaalsContact C-N 3.33Å; D80-K83 PolarHBondContact O-N 3.2Å; D80-K83 WeakPolarHBondContact OD1-CE 3.3Å; D80-K83 IonicContact OD1-NZ 2.93Å; D80-K83 PolarHBondContact OD1-NZ 2.92Å; D80-A84 WeakPolarHBondContact O-CB 3.22Å; D80-A84 PolarHBondContact O-N 2.79Å
81Y98.3Very high95.6Very high59 Ų5962.5 Ų62.523%0.23130%0.3CS..Hα-helixtrans-66.6-40173.8-70.8-60.7000112.9L43 T46 E47 A50 D77 L78 A84 L85L43-Y81 WeakPolarHBondContact O-CE2 3.39Å; L43-Y81 PolarHBondContact O-OH 3.33Å; T46-Y81 HydrophobicContact CG2-CD2 3.99Å; T46-Y81 HydrophobicContact CG2-CE2 4.26Å; E47-Y81 HydrophobicContact CB-CD1 3.81Å; E47-Y81 HydrophobicContact CB-CD2 4.1Å; E47-Y81 HydrophobicContact CB-CE1 3.72Å; E47-Y81 HydrophobicContact CB-CE2 4Å; E47-Y81 HydrophobicContact CB-CG 4Å; E47-Y81 HydrophobicContact CG-CD1 3.63Å; E47-Y81 HydrophobicContact CG-CE1 3.8Å; E47-Y81 HydrophobicContact CG-CG 4.13Å; A50-Y81 VanDerWaalsContact CB-CB 3.48Å; D77-Y81 WeakPolarHBondContact O-CD2 3.43Å; D77-Y81 PolarHBondContact O-N 3.28Å; L78-Y81 PolarHBondContact O-N 2.74Å; Y81-A84 WeakPolarHBondContact O-CB 3.4Å; Y81-A84 PolarHBondContact O-N 2.68Å; Y81-L85 WeakPolarHBondContact O-CG 3.47Å; Y81-L85 PolarHBondContact O-N 2.94Å
82I97.1Very high95.3Very high0 Ų066.9 Ų66.90%033%0.33CS..Hα-helixtrans-62.4-45.1175.2-66.8169.7000111.1A50 I53 M54 L78 L79 A84 L85 N86 M95 L131A50-I82 HydrophobicContact CB-CG1 3.74Å; I53-I82 HydrophobicContact CG2-CD1 4.1Å; M54-I82 HydrophobicContact CG-CG1 4.36Å; M54-I82 HydrophobicContact CG-CG2 4.06Å; M54-I82 HydrophobicContact SD-CG2 3.54Å; M54-I82 VanDerWaalsContact SD-CG2 3.54Å; L78-I82 HydrophobicContact CG-CD1 4.2Å; L78-I82 WeakPolarHBondContact O-CG1 3.35Å; L78-I82 PolarHBondContact O-N 3.04Å; L79-I82 PolarHBondContact O-N 3.05Å; I82-A84 VanDerWaalsContact C-N 3.27Å; I82-A84 PolarHBondContact O-N 3.45Å; I82-L85 WeakPolarHBondContact O-CB 3.43Å; I82-L85 PolarHBondContact O-N 2.89Å; I82-L85 VanDerWaalsContact O-N 3.12Å; I82-N86 PolarHBondContact O-N 2.88Å; I82-M95 HydrophobicContact CB-SD 4.28Å; I82-M95 HydrophobicContact CD1-CE 4.3Å; I82-M95 HydrophobicContact CG2-CE 4.26Å; I82-M95 HydrophobicContact CG2-SD 3.32Å; I82-M95 WeakPolarHBondContact CG2-SD 3.29Å; I82-L131 HydrophobicContact CD1-CD2 4.46Å
83K96.9Very high95Very high109 Ų10963 Ų6347%0.47432%0.316SS..Hα-helixtrans-59.5-39.2174.3-74.6179.6-58.7-175.20111.6L79 D80 L85 N86 R87L79-K83 WeakPolarHBondContact O-CB 3.39Å; L79-K83 WeakPolarHBondContact O-CE 3.43Å; L79-K83 VanDerWaalsContact O-CG 3.3Å; L79-K83 WeakPolarHBondContact O-CG 3.24Å; L79-K83 PolarHBondContact O-N 2.87Å; D80-K83 PolarHBondContact O-N 3.2Å; D80-K83 WeakPolarHBondContact OD1-CE 3.3Å; D80-K83 IonicContact OD1-NZ 2.93Å; D80-K83 PolarHBondContact OD1-NZ 2.92Å; K83-L85 VanDerWaalsContact C-N 3.34Å; K83-N86 PolarHBondContact O-N 3.01Å; K83-R87 WeakPolarHBondContact O-CG 3.33Å; K83-R87 PolarHBondContact O-N 3.04Å; K83-R87 VanDerWaalsContact O-N 3.14Å
84A97.4Very high94.8Very high22 Ų2264.1 Ų64.118%0.18233%0.329CS..Hα-helixtrans-63.8-37.9175.600000112.2D80 Y81 I82 R87 N88D80-A84 WeakPolarHBondContact O-CB 3.22Å; D80-A84 PolarHBondContact O-N 2.79Å; Y81-A84 WeakPolarHBondContact O-CB 3.4Å; Y81-A84 PolarHBondContact O-N 2.68Å; I82-A84 VanDerWaalsContact C-N 3.27Å; I82-A84 PolarHBondContact O-N 3.45Å; A84-R87 WeakPolarHBondContact O-CG 3.33Å; A84-N88 VanDerWaalsContact O-CB 3.27Å; A84-N88 WeakPolarHBondContact O-CB 3.41Å; A84-N88 PolarHBondContact O-N 3.24Å; A84-N88 PolarHBondContact O-ND2 3.41Å
85L95.7Very high94.6Very high31 Ų3166.4 Ų66.416%0.16234%0.34CS..Hα-helixtrans-67.8-43.5173.7-65.4169.7000111.7A50 R51 M54 Y81 I82 K83 R87 N88 S89A50-L85 HydrophobicContact CB-CD1 4.15Å; R51-L85 HydrophobicContact CB-CD1 4.37Å; R51-L85 HydrophobicContact CG-CD1 3.77Å; R51-L85 HydrophobicContact CG-CD2 3.99Å; M54-L85 HydrophobicContact CB-CD1 4.22Å; M54-L85 HydrophobicContact CG-CB 4.47Å; M54-L85 HydrophobicContact CG-CD1 3.84Å; Y81-L85 WeakPolarHBondContact O-CG 3.47Å; Y81-L85 PolarHBondContact O-N 2.94Å; I82-L85 WeakPolarHBondContact O-CB 3.43Å; I82-L85 PolarHBondContact O-N 2.89Å; I82-L85 VanDerWaalsContact O-N 3.12Å; K83-L85 VanDerWaalsContact C-N 3.34Å; L85-R87 VanDerWaalsContact C-N 3.28Å; L85-R87 PolarHBondContact O-N 2.99Å; L85-N88 PolarHBondContact O-N 3.46Å; L85-S89 WeakPolarHBondContact O-CB 3.27Å; L85-S89 PolarHBondContact O-N 2.97Å; L85-S89 VanDerWaalsContact O-N 3.08Å; L85-S89 PolarHBondContact O-OG 3.03Å
86N93.5Very high94.5Very high30 Ų3069 Ų6916%0.1636%0.357CS..Hα-helixtrans-59.8-34.5179-81.3-25000113.4M54 I82 K83 S92 I93M54-N86 WeakPolarHBondContact CE-OD1 3.42Å; I82-N86 PolarHBondContact O-N 2.88Å; K83-N86 PolarHBondContact O-N 3.01Å; N86-S92 WeakPolarHBondContact OD1-CA 3.37Å; N86-I93 PolarHBondContact ND2-O 3.26Å; N86-I93 PolarHBondContact OD1-N 3.36Å
87R94.9Very high94.4Very high187 Ų18770.7 Ų70.771%0.70636%0.363SS*.Hα-helixtrans-89.6-16.5-179.273.8-173.6176.7-157.3-4.5114.5K83 A84 L85K83-R87 WeakPolarHBondContact O-CG 3.33Å; K83-R87 PolarHBondContact O-N 3.04Å; K83-R87 VanDerWaalsContact O-N 3.14Å; A84-R87 WeakPolarHBondContact O-CG 3.33Å; L85-R87 VanDerWaalsContact C-N 3.28Å; L85-R87 PolarHBondContact O-N 2.99Å
88N93.8Very high94.3Very high125 Ų12570.6 Ų70.667%0.66836%0.363SS*.Hα-helixtrans-117.39.4-173.4-65-55.9000113.2A84 L85A84-N88 VanDerWaalsContact O-CB 3.27Å; A84-N88 WeakPolarHBondContact O-CB 3.41Å; A84-N88 PolarHBondContact O-N 3.24Å; A84-N88 PolarHBondContact O-ND2 3.41Å; L85-N88 PolarHBondContact O-N 3.46Å
89S88.7Confident94.2Very high57 Ų5774.8 Ų74.840%0.39938%0.381SS..SBendtrans-132.3160.3175.974.60000110.8L85 R91L85-S89 WeakPolarHBondContact O-CB 3.27Å; L85-S89 PolarHBondContact O-N 2.97Å; L85-S89 VanDerWaalsContact O-N 3.08Å; L85-S89 PolarHBondContact O-OG 3.03Å; S89-R91 PolarHBondContact O-N 2.84Å; S89-R91 VanDerWaalsContact O-N 3.09Å; S89-R91 PolarHBondContact OG-O 2.85Å
90D87.1Confident94Very high181 Ų18174 Ų7497%0.96838%0.377SS*.SBendtrans-70.3-2.1178.4-57.6-43000113.3
91R82.3Confident93.7Very high190 Ų19074.5 Ų74.572%0.71737%0.372SS*.  trans-114.6129.9177.6-64.9-175.9-179.8-174.5-0.7109.5S89S89-R91 PolarHBondContact O-N 2.84Å; S89-R91 VanDerWaalsContact O-N 3.09Å; S89-R91 PolarHBondContact OG-O 2.85Å
92S89.3Confident93.1Very high92 Ų9273 Ų7364%0.64337%0.369SS*.  trans-137.2148172.8640000110.5N86N86-S92 WeakPolarHBondContact OD1-CA 3.37Å
93I91.4Very high92.1Very high15 Ų1578 Ų788%0.07739%0.39CS..  trans-128.6145.1174.563.9-178.9000110.2M54 G58 I62 N86 M95M54-I93 HydrophobicContact CE-CD1 3.85Å; M54-I93 HydrophobicContact CE-CG1 3.94Å; M54-I93 HydrophobicContact SD-CD1 3.57Å; M54-I93 VanDerWaalsContact SD-CD1 3.57Å; M54-I93 HydrophobicContact SD-CG1 4.16Å; G58-I93 VanDerWaalsContact C-CG2 3.46Å; G58-I93 WeakPolarHBondContact O-CG2 3.4Å; I62-I93 HydrophobicContact CB-CD1 4.44Å; I62-I93 HydrophobicContact CD1-CD1 3.31Å; I62-I93 HydrophobicContact CG1-CD1 3.75Å; N86-I93 PolarHBondContact ND2-O 3.26Å; N86-I93 PolarHBondContact OD1-N 3.36Å; I93-M95 HydrophobicContact CD1-CG 4.42Å; I93-M95 HydrophobicContact CG1-CG 4.24Å
94P93.9Very high90.1Very high79 Ų7976.8 Ų76.851%0.51340%0.395SS..  trans-68.5142.6166.929.1-31.9000109.9H61 I62H61-P94 HydrophobicContact CB-CG 3.96Å; I62-P94 PolarHBondContact N-O 2.85Å
95M95.4Very high87.4Confident49 Ų4981.3 Ų81.324%0.24141%0.408CS..EExtended strand (participates in β ladder)trans-130.5136.8174.3-69-178.963.300110.4I62 A64 L79 I82 I93I62-M95 HydrophobicContact CB-CG 4.33Å; I62-M95 VanDerWaalsContact O-CA 3.29Å; I62-M95 WeakPolarHBondContact O-CA 3.12Å; A64-M95 HydrophobicContact CB-CE 3.95Å; L79-M95 HydrophobicContact CD1-CE 4.36Å; L79-M95 HydrophobicContact CD2-CE 4.48Å; L79-M95 HydrophobicContact CG-CE 3.97Å; I82-M95 HydrophobicContact CB-SD 4.28Å; I82-M95 HydrophobicContact CD1-CE 4.3Å; I82-M95 HydrophobicContact CG2-CE 4.26Å; I82-M95 HydrophobicContact CG2-SD 3.32Å; I82-M95 WeakPolarHBondContact CG2-SD 3.29Å; I93-M95 HydrophobicContact CD1-CG 4.42Å; I93-M95 HydrophobicContact CG1-CG 4.24Å
96T95.9Very high84.5Confident65 Ų6584.8 Ų84.840%0.39943%0.434SS..EExtended strand (participates in β ladder)trans-112.7155.1164.6480000108.9H61 I62 A64H61-T96 PolarHBondContact NE2-OG1 3.24Å; I62-T96 PolarHBondContact O-N 3.1Å; A64-T96 PolarHBondContact N-O 2.87Å
97V96.9Very high81.7Confident73 Ų7389.9 Ų89.944%0.44246%0.461SS..EExtended strand (participates in β ladder)trans-123.2142.1-177.6-59.80000109.7A64 F75 L79 F99A64-V97 WeakPolarHBondContact O-CA 3.46Å; F75-V97 HydrophobicContact CE1-CB 4.47Å; F75-V97 HydrophobicContact CE1-CG1 4.42Å; F75-V97 HydrophobicContact CZ-CB 4.01Å; F75-V97 HydrophobicContact CZ-CG1 3.97Å; L79-V97 HydrophobicContact CD2-CG1 3.47Å; L79-V97 VanDerWaalsContact CD2-CG1 3.47Å; V97-F99 HydrophobicContact CG2-CE2 4.21Å
98D95.9Very high78.9Confident16 Ų1689 Ų899%0.08647%0.471CS..EExtended strand (participates in β ladder)trans-143.7159.1172.3-16617.3000110.7A64 L65 C66 G119 D120A64-D98 PolarHBondContact O-N 3.02Å; L65-D98 WeakPolarHBondContact CA-O 3.26Å; L65-D98 HydrophobicContact CD1-CB 3.84Å; C66-D98 PolarHBondContact N-O 2.89Å; D98-G119 VanDerWaalsContact OD1-CA 3.27Å; D98-G119 WeakPolarHBondContact OD1-CA 3.33Å; D98-G119 WeakPolarHBondContact OD2-CA 3.43Å; D98-D120 PolarHBondContact OD1-N 3.04Å; D98-D120 PolarHBondContact OD2-N 3.13Å
99F96.4Very high76.2Confident88 Ų8890.7 Ų90.739%0.38648%0.475SS..EExtended strand (participates in β ladder)trans-131.5119.5-171.8-59.8-92.6000110.8C66 L68 F75 V97 G119C66-F99 HydrophobicContact CB-CD1 3.57Å; C66-F99 HydrophobicContact CB-CE1 3.92Å; C66-F99 HydrophobicContact CB-CG 4.41Å; L68-F99 HydrophobicContact CD1-CB 3.83Å; L68-F99 HydrophobicContact CD1-CD1 4.3Å; L68-F99 HydrophobicContact CD1-CG 4.46Å; L68-F99 HydrophobicContact CD2-CD1 4.19Å; L68-F99 HydrophobicContact CG-CB 4.29Å; L68-F99 HydrophobicContact CG-CD1 4.31Å; F75-F99 HydrophobicContact CD1-CE1 4.06Å; F75-F99 AromaticContact CE1-CE1 3.78Å; F75-F99 HydrophobicContact CE1-CE1 3.78Å; F75-F99 AromaticContact CE1-CZ 3.86Å; F75-F99 HydrophobicContact CE1-CZ 3.86Å; V97-F99 HydrophobicContact CG2-CE2 4.21Å; F99-G119 VanDerWaalsContact O-CA 3.32Å; F99-G119 WeakPolarHBondContact O-CA 3.21Å; F99-G119 PolarHBondContact O-N 3.27Å
100I94.6Very high74.1Confident1 Ų193.2 Ų93.21%0.00549%0.493CS..EExtended strand (participates in β ladder)trans-116.8148.417753.1162.9000110.7L65 C66 V67 L68 L102 V116 L146L65-I100 HydrophobicContact CD1-CB 4.41Å; L65-I100 HydrophobicContact CD1-CD1 4.36Å; L65-I100 HydrophobicContact CD1-CG1 3.94Å; L65-I100 HydrophobicContact CD1-CG2 3.78Å; L65-I100 HydrophobicContact CD2-CD1 3.72Å; L65-I100 HydrophobicContact CD2-CG1 4.2Å; L65-I100 HydrophobicContact CG-CD1 3.94Å; L65-I100 HydrophobicContact CG-CG1 3.88Å; C66-I100 WeakPolarHBondContact O-CG1 3.38Å; C66-I100 PolarHBondContact O-N 2.79Å; V67-I100 HydrophobicContact CG2-CD1 4.16Å; V67-I100 HydrophobicContact CG2-CG1 4.3Å; L68-I100 WeakPolarHBondContact CB-O 3.42Å; L68-I100 PolarHBondContact N-O 3.08Å; I100-L102 HydrophobicContact CD1-CD2 4.19Å; I100-V116 HydrophobicContact CB-CG1 3.83Å; I100-V116 HydrophobicContact CG2-CG1 3.58Å; I100-L146 HydrophobicContact CD1-CD1 3.85Å; I100-L146 HydrophobicContact CD1-CD2 3.85Å
101R92.1Very high72.1Confident95 Ų9588.9 Ų88.936%0.35847%0.473SS..EExtended strand (participates in β ladder)trans-114.2130.3168.3-174173.7-177.8179.62.5109.3L68 I117L68-R101 HydrophobicContact CB-CB 4.45Å; R101-I117 HydrophobicContact CB-CB 4.4Å; R101-I117 PolarHBondContact N-O 3.26Å; R101-I117 PolarHBondContact O-N 3.18Å
102L86.7Confident70.8Confident29 Ų2982.4 Ų82.415%0.15247%0.465CS..EExtended strand (participates in β ladder)trans-95.9125.8175-57.8-179.5000109V67 I100 I114 V116 T142 M143 L146V67-L102 HydrophobicContact CG1-CD1 3.83Å; V67-L102 HydrophobicContact CG1-CG 3.96Å; I100-L102 HydrophobicContact CD1-CD2 4.19Å; L102-I114 HydrophobicContact CB-CG2 3.77Å; L102-I114 HydrophobicContact CD2-CG2 3.82Å; L102-I114 HydrophobicContact CG-CG2 4.22Å; L102-V116 HydrophobicContact CD2-CB 4.48Å; L102-V116 HydrophobicContact CD2-CG2 3.76Å; L102-T142 HydrophobicContact CB-CG2 4.42Å; L102-T142 HydrophobicContact CD1-CG2 3.22Å; L102-T142 HydrophobicContact CG-CG2 4.43Å; L102-M143 HydrophobicContact CD1-CE 4.11Å; L102-L146 HydrophobicContact CD1-CD2 4.24Å; L102-L146 HydrophobicContact CD2-CD1 4.36Å
103K74.8Confident69.4Low104 Ų10484.4 Ų84.445%0.45246%0.464SS..EExtended strand (participates in β ladder)trans-113.9123.7166.9-72.8-165.2-170.91770109.1I114 K115 I117K103-I114 WeakPolarHBondContact O-CA 3.46Å; K103-K115 PolarHBondContact N-O 2.9Å; K103-K115 PolarHBondContact O-N 3Å; K103-I117 HydrophobicContact CB-CD1 4.12Å; K103-I117 HydrophobicContact CD-CD1 3.41Å; K103-I117 VanDerWaalsContact CD-CD1 3.41Å; K103-I117 HydrophobicContact CG-CD1 3.66Å
104S56.2Low68.4Low84 Ų8485.4 Ų85.459%0.58747%0.469SS*.EExtended strand (participates in β ladder)trans-69.7126.8160.447.70000108.2C106S104-C106 PolarHBondContact O-N 3.21Å
105Y39.5Very low67.6Low116 Ų11686.7 Ų86.746%0.45547%0.467SS..EExtended strand (participates in β ladder)trans-61.5121.3171.2-89.1-87.4000109.6E113 K115Y105-E113 HydrophobicContact CD2-CB 4.36Å; Y105-E113 PolarHBondContact N-O 3.01Å; Y105-K115 HydrophobicContact CD2-CB 4.34Å; Y105-K115 HydrophobicContact CE2-CB 3.72Å; Y105-K115 HydrophobicContact CE2-CD 4.14Å; Y105-K115 HydrophobicContact CE2-CG 4.43Å
106C35.6Very low67Low104 Ų10485.9 Ų85.970%0.70347%0.465SS*.EExtended strand (participates in β ladder)trans-110.199173.3-66.40000108.3S104S104-C106 PolarHBondContact O-N 3.21Å
107N34.3Very low66.5Low137 Ų13785.8 Ų85.873%0.73346%0.461SS*.SBendtrans-130.188.9151.3-81.5-12.8000105Q109N107-Q109 PolarHBondContact O-N 3.08Å
108D35.8Very low65.7Low170 Ų17085 Ų8591%0.90947%0.468SS*.SBendtrans52-1.2165.2-48.1-16.7000119.3
109Q38.4Very low64.9Low159 Ų15985.9 Ų85.974%0.74348%0.481SS*.SBendtrans-148.8137169-64.1-170.66.600108.1N107 T111N107-Q109 PolarHBondContact O-N 3.08Å; Q109-T111 PolarHBondContact O-N 3.07Å
110S43.1Very low64.1Low111 Ų11186.8 Ų86.878%0.77649%0.489SS*.EExtended strand (participates in β ladder)trans-68.4101175.4780000109.1G112S110-G112 PolarHBondContact O-N 2.88Å
111T46.2Very low63.6Low89 Ų8991.5 Ų91.555%0.54652%0.515SS..EExtended strand (participates in β ladder)trans-70.3-10.5176.456.30000112.5Q109 E113Q109-T111 PolarHBondContact O-N 3.07Å; T111-E113 PolarHBondContact O-N 2.95Å
112G55.2Low63.3Low54 Ų5487.8 Ų87.856%0.55750%0.502SS*.EExtended strand (participates in β ladder)trans78.6-3.9179.600000114.2S110S110-G112 PolarHBondContact O-N 2.88Å
113E59.8Low63.2Low135 Ų13588.9 Ų88.963%0.63151%0.512SS*.EExtended strand (participates in β ladder)trans-83125.2176.4-69-171.5168.500111.2Y105 T111Y105-E113 HydrophobicContact CD2-CB 4.36Å; Y105-E113 PolarHBondContact N-O 3.01Å; T111-E113 PolarHBondContact O-N 2.95Å
114I68.8Low63.9Low35 Ų3587.4 Ų87.418%0.17951%0.512CS..EExtended strand (participates in β ladder)trans-105.3125176-59.4-173.1000108.1L102 K103 T142 T145L102-I114 HydrophobicContact CB-CG2 3.77Å; L102-I114 HydrophobicContact CD2-CG2 3.82Å; L102-I114 HydrophobicContact CG-CG2 4.22Å; K103-I114 WeakPolarHBondContact O-CA 3.46Å; I114-T142 VanDerWaalsContact CD1-CA 3.47Å; I114-T142 HydrophobicContact CD1-CG2 4.02Å; I114-T145 HydrophobicContact CB-CG2 3.88Å; I114-T145 HydrophobicContact CD1-CG2 4.25Å; I114-T145 HydrophobicContact CG1-CG2 4.02Å
115K77.7Confident65.6Low106 Ų10683.6 Ų83.646%0.46149%0.485SS..EExtended strand (participates in β ladder)trans-92.6126.2170.4-168170.6-176.2170.70109.9K103 Y105 I117K103-K115 PolarHBondContact N-O 2.9Å; K103-K115 PolarHBondContact O-N 3Å; Y105-K115 HydrophobicContact CD2-CB 4.34Å; Y105-K115 HydrophobicContact CE2-CB 3.72Å; Y105-K115 HydrophobicContact CE2-CD 4.14Å; Y105-K115 HydrophobicContact CE2-CG 4.43Å; K115-I117 HydrophobicContact CD-CG1 4.36Å; K115-I117 HydrophobicContact CG-CG1 4.1Å
116V83Confident68.2Low33 Ų3381.8 Ų81.820%0.249%0.486CS..EExtended strand (participates in β ladder)trans-78.6127.9165.3-175.60000108.3I100 L102 L146 L149I100-V116 HydrophobicContact CB-CG1 3.83Å; I100-V116 HydrophobicContact CG2-CG1 3.58Å; L102-V116 HydrophobicContact CD2-CB 4.48Å; L102-V116 HydrophobicContact CD2-CG2 3.76Å; V116-L146 HydrophobicContact CG2-CD1 4.27Å; V116-L149 HydrophobicContact CB-CD2 4.38Å; V116-L149 HydrophobicContact CG2-CD2 3.37Å
117I85.7Confident70.9Confident63 Ų6378.6 Ų78.632%0.32347%0.471SS..EExtended strand (participates in β ladder)trans-125.2133.2179.5-59.1179.5000108.5R101 K103 K115R101-I117 HydrophobicContact CB-CB 4.4Å; R101-I117 PolarHBondContact N-O 3.26Å; R101-I117 PolarHBondContact O-N 3.18Å; K103-I117 HydrophobicContact CB-CD1 4.12Å; K103-I117 HydrophobicContact CD-CD1 3.41Å; K103-I117 VanDerWaalsContact CD-CD1 3.41Å; K103-I117 HydrophobicContact CG-CD1 3.66Å; K115-I117 HydrophobicContact CD-CG1 4.36Å; K115-I117 HydrophobicContact CG-CG1 4.1Å
118G80.1Confident73.7Confident57 Ų5775.3 Ų75.359%0.58845%0.45SS*.SBendtrans74.6-174.4-172.400000111.4
119G78.4Confident76.6Confident34 Ų3467.6 Ų67.635%0.35141%0.408SS..SBendtrans88.4163.1-170.900000112.7D98 F99D98-G119 VanDerWaalsContact OD1-CA 3.27Å; D98-G119 WeakPolarHBondContact OD1-CA 3.33Å; D98-G119 WeakPolarHBondContact OD2-CA 3.43Å; F99-G119 VanDerWaalsContact O-CA 3.32Å; F99-G119 WeakPolarHBondContact O-CA 3.21Å; F99-G119 PolarHBondContact O-N 3.27Å
120D79.8Confident79.5Confident106 Ų10660 Ų6057%0.56737%0.373SS*.SBendtrans-66.5170.8165.6-74.6-28000110.1D98 L122D98-D120 PolarHBondContact OD1-N 3.04Å; D98-D120 PolarHBondContact OD2-N 3.13Å; D120-L122 PolarHBondContact O-N 2.65Å; D120-L122 VanDerWaalsContact O-N 3.13Å
121D84.5Confident82.1Confident101 Ų10154.8 Ų54.854%0.5434%0.336SS..  trans-57.6123170.2-178.92.2000109.4S123 T124D121-S123 PolarHBondContact O-N 3.36Å; D121-S123 WeakPolarHBondContact OD1-CB 3.48Å; D121-S123 PolarHBondContact OD1-N 2.65Å; D121-S123 PolarHBondContact OD1-OG 3.03Å; D121-S123 WeakPolarHBondContact OD2-CB 3.25Å; D121-S123 PolarHBondContact OD2-OG 3.3Å; D121-T124 VanDerWaalsContact O-CB 3.3Å; D121-T124 WeakPolarHBondContact O-CB 3.46Å; D121-T124 VanDerWaalsContact O-CG2 3.24Å; D121-T124 WeakPolarHBondContact O-CG2 3.48Å; D121-T124 PolarHBondContact O-N 3.03Å; D121-T124 PolarHBondContact O-OG1 2.88Å
122L85.4Confident84.6Confident17 Ų1750.5 Ų50.59%0.08931%0.31CS..G310 helixtrans-58.4-18.5179.4-62.8179.9000112.4D120 T124 L125 L149 L150 Y153D120-L122 PolarHBondContact O-N 2.65Å; D120-L122 VanDerWaalsContact O-N 3.13Å; L122-T124 PolarHBondContact O-N 2.86Å; L122-L125 HydrophobicContact CB-CD1 4.48Å; L122-L125 HydrophobicContact CD2-CD1 3.92Å; L122-L125 VanDerWaalsContact O-CB 3.29Å; L122-L125 WeakPolarHBondContact O-CB 3.38Å; L122-L125 WeakPolarHBondContact O-CG 3.32Å; L122-L125 PolarHBondContact O-N 2.95Å; L122-L149 HydrophobicContact CD1-CD2 3.92Å; L122-L149 HydrophobicContact CD1-CG 4.21Å; L122-L150 HydrophobicContact CD1-CD2 4.36Å; L122-L150 HydrophobicContact CD2-CD2 4.02Å; L122-Y153 HydrophobicContact CB-CD1 4.04Å; L122-Y153 HydrophobicContact CB-CD2 3.82Å; L122-Y153 HydrophobicContact CB-CE1 3.78Å; L122-Y153 HydrophobicContact CB-CE2 3.58Å; L122-Y153 HydrophobicContact CB-CG 4.03Å; L122-Y153 HydrophobicContact CD1-CD2 4.37Å; L122-Y153 HydrophobicContact CD1-CE2 3.66Å; L122-Y153 HydrophobicContact CG-CE2 4.29Å
123S84.4Confident86.6Confident52 Ų5248 Ų4836%0.36428%0.284SS..G310 helixtrans-57.1-27170.776.10000113.4D121 L125 T126D121-S123 PolarHBondContact O-N 3.36Å; D121-S123 WeakPolarHBondContact OD1-CB 3.48Å; D121-S123 PolarHBondContact OD1-N 2.65Å; D121-S123 PolarHBondContact OD1-OG 3.03Å; D121-S123 WeakPolarHBondContact OD2-CB 3.25Å; D121-S123 PolarHBondContact OD2-OG 3.3Å; S123-L125 PolarHBondContact O-N 2.77Å; S123-L125 VanDerWaalsContact O-N 3.17Å; S123-T126 WeakPolarHBondContact O-CB 3.22Å; S123-T126 PolarHBondContact O-N 3.16Å; S123-T126 VanDerWaalsContact O-N 3.17Å; S123-T126 PolarHBondContact O-OG1 3.01Å
124T90.1Very high88.4Confident73 Ų7342.1 Ų42.145%0.44826%0.257SS..G310 helixtrans-64.4-16.9176.262.40000113.6D121 L122 T126D121-T124 VanDerWaalsContact O-CB 3.3Å; D121-T124 WeakPolarHBondContact O-CB 3.46Å; D121-T124 VanDerWaalsContact O-CG2 3.24Å; D121-T124 WeakPolarHBondContact O-CG2 3.48Å; D121-T124 PolarHBondContact O-N 3.03Å; D121-T124 PolarHBondContact O-OG1 2.88Å; L122-T124 PolarHBondContact O-N 2.86Å; T124-T126 VanDerWaalsContact C-N 3.3Å
125L92.1Very high89.8Confident3 Ų341.5 Ų41.52%0.01625%0.254CS..G310 helixtrans-81.2-8.8178.6-54178.9000113.2V63 L122 S123 G127 K128 V130 L150 P155V63-L125 HydrophobicContact CB-CD2 4.05Å; V63-L125 HydrophobicContact CG1-CD2 3.61Å; V63-L125 HydrophobicContact CG2-CD2 4.28Å; L122-L125 HydrophobicContact CB-CD1 4.48Å; L122-L125 HydrophobicContact CD2-CD1 3.92Å; L122-L125 VanDerWaalsContact O-CB 3.29Å; L122-L125 WeakPolarHBondContact O-CB 3.38Å; L122-L125 WeakPolarHBondContact O-CG 3.32Å; L122-L125 PolarHBondContact O-N 2.95Å; S123-L125 PolarHBondContact O-N 2.77Å; S123-L125 VanDerWaalsContact O-N 3.17Å; L125-G127 PolarHBondContact O-N 3.35Å; L125-K128 WeakPolarHBondContact O-CB 3.42Å; L125-K128 PolarHBondContact O-N 2.89Å; L125-V130 HydrophobicContact CB-CG2 4.05Å; L125-V130 HydrophobicContact CD1-CG2 4.45Å; L125-V130 HydrophobicContact CD2-CG2 4.06Å; L125-V130 HydrophobicContact CG-CG2 4.42Å; L125-L150 HydrophobicContact CD1-CD2 3.54Å; L125-P155 WeakPolarHBondContact O-CA 3.22Å
126T93.8Very high90.7Very high79 Ų7938.3 Ų38.349%0.48524%0.241SC..THydrogen-bonded Turntrans-57.5125.3-178.1-53.40000111.3S123 T124 K128 Y153S123-T126 WeakPolarHBondContact O-CB 3.22Å; S123-T126 PolarHBondContact O-N 3.16Å; S123-T126 VanDerWaalsContact O-N 3.17Å; S123-T126 PolarHBondContact O-OG1 3.01Å; T124-T126 VanDerWaalsContact C-N 3.3Å; T126-K128 PolarHBondContact O-N 2.8Å; T126-Y153 VanDerWaalsContact CA-O 3.25Å; T126-Y153 WeakPolarHBondContact CA-O 3.3Å; T126-Y153 WeakPolarHBondContact CB-O 3.34Å; T126-Y153 PolarHBondContact OG1-O 2.98Å; T126-Y153 VanDerWaalsContact OG1-O 3.08Å
127G93.4Very high91.3Very high37 Ų3737 Ų3738%0.38123%0.233SC..THydrogen-bonded Turntrans66.114.4-179.900000115L125 N154L125-G127 PolarHBondContact O-N 3.35Å; G127-N154 PolarHBondContact N-O 3.42Å
128K92.8Very high91.7Very high68 Ų6836.2 Ų36.230%0.29623%0.229SC..SBendtrans-101.2157.4176.6-57.6-62-176.6178.50112.2V63 L125 T126 Q156 M157V63-K128 HydrophobicContact CG2-CB 3.79Å; V63-K128 HydrophobicContact CG2-CG 3.96Å; L125-K128 WeakPolarHBondContact O-CB 3.42Å; L125-K128 PolarHBondContact O-N 2.89Å; T126-K128 PolarHBondContact O-N 2.8Å; K128-Q156 PolarHBondContact O-N 3.05Å; K128-M157 PolarHBondContact O-N 2.82Å
129N97Very high92.3Very high7 Ų735 Ų354%0.03721%0.21CC..EExtended strand (participates in β ladder)trans-82.4118.8163.6-69.8-2.7000108.6M57 H61 I62 V63 Q156 M157M57-N129 HydrophobicContact CE-CB 3.96Å; H61-N129 WeakPolarHBondContact O-CB 3.45Å; I62-N129 CarbonylContact C-O 3.55Å; I62-N129 WeakPolarHBondContact CA-O 3.44Å; I62-N129 HydrophobicContact CG1-CB 4.42Å; V63-N129 PolarHBondContact N-O 2.69Å; N129-Q156 PolarHBondContact OD1-OE1 2.78Å; N129-M157 CarbonylContact C-O 3.54Å; N129-M157 WeakPolarHBondContact CA-O 3.27Å; N129-M157 HydrophobicContact CB-CB 4.32Å; N129-M157 WeakPolarHBondContact OD1-CB 3.5Å
130V97.7Very high92.9Very high1 Ų133.6 Ų33.61%0.00620%0.196CC..EExtended strand (participates in β ladder)trans-105.1124.9-179-174.90000109.3V63 L65 L125 I132 P155 M157 V158 K159V63-V130 WeakPolarHBondContact O-CA 3.04Å; L65-V130 HydrophobicContact CB-CG1 4.32Å; L65-V130 HydrophobicContact CD2-CG1 4.49Å; L125-V130 HydrophobicContact CB-CG2 4.05Å; L125-V130 HydrophobicContact CD1-CG2 4.45Å; L125-V130 HydrophobicContact CD2-CG2 4.06Å; L125-V130 HydrophobicContact CG-CG2 4.42Å; V130-I132 HydrophobicContact CG1-CG1 4.22Å; V130-P155 HydrophobicContact CG2-CB 3.85Å; V130-M157 PolarHBondContact N-O 3.15Å; V130-V158 HydrophobicContact CB-CG1 4.49Å; V130-V158 HydrophobicContact CB-CG2 4.4Å; V130-V158 WeakPolarHBondContact O-CA 3.46Å; V130-K159 PolarHBondContact O-N 3.16Å
131L98.4Very high93.4Very high0 Ų034.2 Ų34.20%019%0.194CC..EExtended strand (participates in β ladder)trans-107.4105.6171.1175.566.7000108.6I53 M57 I62 V63 A64 L65 I82 V133 K159 A161 F178I53-L131 HydrophobicContact CD1-CD1 4.3Å; I53-L131 HydrophobicContact CD1-CD2 4.12Å; I53-L131 HydrophobicContact CG1-CD1 4.4Å; I53-L131 HydrophobicContact CG2-CD2 3.88Å; M57-L131 HydrophobicContact CE-CB 4.1Å; M57-L131 HydrophobicContact SD-CB 4.29Å; M57-L131 HydrophobicContact SD-CD1 4.07Å; I62-L131 HydrophobicContact CG2-CB 3.71Å; V63-L131 PolarHBondContact O-N 2.91Å; A64-L131 CarbonylContact C-O 3.6Å; A64-L131 WeakPolarHBondContact CA-O 3.02Å; L65-L131 PolarHBondContact N-O 2.85Å; I82-L131 HydrophobicContact CD1-CD2 4.46Å; L131-V133 HydrophobicContact CD2-CG2 4.32Å; L131-V133 HydrophobicContact CG-CG2 4.08Å; L131-K159 WeakPolarHBondContact CA-O 3.17Å; L131-K159 HydrophobicContact CD1-CB 4.32Å; L131-A161 HydrophobicContact CD1-CB 4.11Å; L131-F178 HydrophobicContact CD1-CD2 4.31Å; L131-F178 HydrophobicContact CD1-CE2 4.4Å
132I98.3Very high93.6Very high0 Ų032.1 Ų32.10%019%0.185CC..EExtended strand (participates in β ladder)trans-82.3133.5173.2-51.5176.1000108.3L65 V67 V130 M143 L146 L147 L150 V158 K159 V160 A161L65-I132 HydrophobicContact CD2-CG1 4.46Å; L65-I132 WeakPolarHBondContact O-CA 3.47Å; V67-I132 HydrophobicContact CG2-CG2 3.86Å; V130-I132 HydrophobicContact CG1-CG1 4.22Å; I132-M143 HydrophobicContact CG2-SD 4.22Å; I132-L146 HydrophobicContact CD1-CD2 3.91Å; I132-L146 HydrophobicContact CD1-CG 4.23Å; I132-L146 HydrophobicContact CG2-CD2 3.96Å; I132-L147 HydrophobicContact CD1-CD2 3.8Å; I132-L150 HydrophobicContact CD1-CD1 3.49Å; I132-L150 VanDerWaalsContact CD1-CD1 3.49Å; I132-L150 HydrophobicContact CG1-CD1 4.17Å; I132-V158 HydrophobicContact CD1-CG1 3.81Å; I132-V158 HydrophobicContact CG1-CG1 4.19Å; I132-K159 PolarHBondContact N-O 3.46Å; I132-V160 HydrophobicContact CB-CG1 4.43Å; I132-V160 HydrophobicContact CB-CG2 4.12Å; I132-V160 HydrophobicContact CD1-CG2 4.06Å; I132-V160 HydrophobicContact CG1-CG2 4.44Å; I132-V160 WeakPolarHBondContact O-CA 3.33Å; I132-A161 PolarHBondContact O-N 2.7Å
133V98.5Very high94Very high0 Ų031.3 Ų31.30%018%0.181CC..EExtended strand (participates in β ladder)trans-121.1119177.9-173.10000109.6L65 V67 F74 F75 L78 L131 A161L65-V133 PolarHBondContact O-N 2.82Å; V67-V133 PolarHBondContact N-O 3.05Å; F74-V133 HydrophobicContact CD1-CG1 3.37Å; F74-V133 HydrophobicContact CE1-CG1 3.56Å; F74-V133 HydrophobicContact CG-CG1 4.26Å; F75-V133 HydrophobicContact CB-CB 4.44Å; F75-V133 HydrophobicContact CB-CG1 4.07Å; F75-V133 HydrophobicContact CD2-CB 3.75Å; F75-V133 HydrophobicContact CD2-CG1 4.2Å; F75-V133 HydrophobicContact CD2-CG2 3.73Å; F75-V133 HydrophobicContact CE2-CG2 4.26Å; L78-V133 HydrophobicContact CD2-CG1 4.21Å; L78-V133 HydrophobicContact CD2-CG2 4.02Å; L131-V133 HydrophobicContact CD2-CG2 4.32Å; L131-V133 HydrophobicContact CG-CG2 4.08Å; V133-A161 WeakPolarHBondContact CA-O 3.24Å
134E96.3Very high94.3Very high13 Ų1333.1 Ų33.16%0.06118%0.182CC..EExtended strand (participates in β ladder)trans-123.9148.1-177.2-175.265-74.500110.5V67 F74 I137 M143 A161 S162 L163V67-E134 WeakPolarHBondContact CB-OE1 3.38Å; V67-E134 VanDerWaalsContact CG1-OE2 3.29Å; V67-E134 WeakPolarHBondContact CG1-OE2 3.35Å; F74-E134 WeakPolarHBondContact CD1-O 3.19Å; E134-I137 HydrophobicContact CB-CD1 4.47Å; E134-I137 HydrophobicContact CG-CD1 4.05Å; E134-M143 HydrophobicContact CB-SD 4.46Å; E134-M143 HydrophobicContact CG-CE 4.24Å; E134-M143 WeakPolarHBondContact OE2-CE 3.35Å; E134-A161 PolarHBondContact N-O 3Å; E134-S162 VanDerWaalsContact O-CA 3.26Å; E134-S162 WeakPolarHBondContact O-CA 3.35Å; E134-S162 PolarHBondContact O-OG 2.96Å; E134-L163 PolarHBondContact O-N 3.05Å
135D97.7Very high94.3Very high22 Ų2231.5 Ų31.512%0.11817%0.172CC..EExtended strand (participates in β ladder)trans-72.5-48.2176.758.5-10000112.6G70 L163 L164 L193G70-D135 VanDerWaalsContact CA-OD2 3.24Å; G70-D135 WeakPolarHBondContact CA-OD2 3.4Å; D135-L163 WeakPolarHBondContact O-CB 3.29Å; D135-L163 PolarHBondContact O-N 2.79Å; D135-L164 PolarHBondContact O-N 3.25Å; D135-L193 HydrophobicContact CB-CD2 4.03Å; D135-L193 HydrophobicContact CB-CG 4.45Å; D135-L193 VanDerWaalsContact OD2-CD2 3.32Å; D135-L193 WeakPolarHBondContact OD2-CD2 3.48Å
136I96.9Very high94.3Very high38 Ų3831.5 Ų31.520%0.19517%0.172CC..EExtended strand (participates in β ladder)trans-146.9133.6-173.9-172.2166.5000113.7L164 K166 V188 L193I136-L164 CarbonylContact C-O 3.59Å; I136-L164 WeakPolarHBondContact CA-O 3.12Å; I136-L164 HydrophobicContact CB-CB 4.05Å; I136-L164 HydrophobicContact CD1-CB 4.12Å; I136-L164 HydrophobicContact CD1-CD1 4.04Å; I136-L164 HydrophobicContact CG1-CB 3.78Å; I136-L164 HydrophobicContact CG1-CD1 4.49Å; I136-K166 HydrophobicContact CD1-CD 4.06Å; I136-K166 HydrophobicContact CD1-CG 4Å; I136-K166 HydrophobicContact CG1-CG 4.43Å; I136-V188 HydrophobicContact CD1-CG2 4.28Å; I136-L193 HydrophobicContact CB-CD2 3.94Å; I136-L193 HydrophobicContact CG2-CD2 3.62Å
137I96.6Very high94.3Very high5 Ų529.3 Ų29.33%0.02616%0.157CC..EExtended strand (participates in β ladder)trans-96105.7163.4-52.9-50.3000109.4E134 M143 L164 V165 K166 Y174 P176E134-I137 HydrophobicContact CB-CD1 4.47Å; E134-I137 HydrophobicContact CG-CD1 4.05Å; I137-M143 HydrophobicContact CD1-CB 4.46Å; I137-M143 HydrophobicContact CD1-CG 3.36Å; I137-M143 HydrophobicContact CD1-SD 4.45Å; I137-L164 PolarHBondContact N-O 3.16Å; I137-V165 HydrophobicContact CB-CG1 4.4Å; I137-V165 HydrophobicContact CB-CG2 4.14Å; I137-V165 HydrophobicContact CG1-CG2 4.2Å; I137-K166 PolarHBondContact O-N 3.34Å; I137-Y174 HydrophobicContact CD1-CE1 4.24Å; I137-Y174 HydrophobicContact CG1-CE1 4.44Å; I137-Y174 HydrophobicContact CG2-CD1 4.1Å; I137-P176 HydrophobicContact CD1-CG 4.37Å; I137-P176 HydrophobicContact CG1-CG 3.55Å
138D93.7Very high94.2Very high47 Ų4733.5 Ų33.525%0.25117%0.167SC..SBendtrans-87.1-88.6169.7-175.927.3000110.6K166 T168 R170D138-K166 HydrophobicContact CB-CD 4.11Å; D138-K166 WeakPolarHBondContact OD1-CD 3.41Å; D138-T168 WeakPolarHBondContact O-CG2 3.33Å; D138-R170 IonicContact OD1-CZ 3.18Å; D138-R170 IonicContact OD1-NH2 2.77Å; D138-R170 PolarHBondContact OD1-NH2 3.11Å; D138-R170 IonicContact OD2-CZ 3.59Å; D138-R170 IonicContact OD2-NH1 2.7Å; D138-R170 PolarHBondContact OD2-NH1 3.19Å; D138-R170 IonicContact OD2-NH2 3.49Å; D138-R170 PolarHBondContact OD2-NH2 3.43Å
139T91.6Very high94.1Very high31 Ų3132.4 Ų32.419%0.1916%0.164CC..SBendtrans-80.9-21179.265.30000113.3K141 R170 V172T139-K141 VanDerWaalsContact C-N 3.28Å; T139-K141 PolarHBondContact O-N 3.11Å; T139-K141 PolarHBondContact OG1-N 2.85Å; T139-R170 HydrophobicContact CG2-CB 4.05Å; T139-V172 WeakPolarHBondContact O-CG2 3.49Å; T139-V172 PolarHBondContact O-N 3.38Å
140G92.4Very high93.9Very high5 Ų532.1 Ų32.15%0.05216%0.162CC..SBendtrans78.2-0.4-174.700000115.8T142 K144G140-T142 VanDerWaalsContact C-N 3.35Å; G140-T142 PolarHBondContact O-N 3.41Å; G140-K144 PolarHBondContact O-N 3.14Å; G140-K144 VanDerWaalsContact O-N 3.11Å
141K89.9Confident93.6Very high120 Ų12039 Ų3952%0.52219%0.192SC..Hα-helixtrans-60.3-44.1176.8-69-179.7179.9-1790111.9T139 M143 K144 T145 V172T139-K141 VanDerWaalsContact C-N 3.28Å; T139-K141 PolarHBondContact O-N 3.11Å; T139-K141 PolarHBondContact OG1-N 2.85Å; K141-M143 PolarHBondContact O-N 3.46Å; K141-K144 PolarHBondContact O-N 3.3Å; K141-T145 PolarHBondContact O-N 3.03Å; K141-T145 PolarHBondContact O-OG1 3.24Å; K141-V172 HydrophobicContact CG-CG1 3.71Å
142T88.2Confident93.4Very high56 Ų5645.6 Ų45.634%0.34422%0.223SC..Hα-helixtrans-54.1-52.6179.2-54.20000112.6L102 I114 G140 T145 L146L102-T142 HydrophobicContact CB-CG2 4.42Å; L102-T142 HydrophobicContact CD1-CG2 3.22Å; L102-T142 HydrophobicContact CG-CG2 4.43Å; I114-T142 VanDerWaalsContact CD1-CA 3.47Å; I114-T142 HydrophobicContact CD1-CG2 4.02Å; G140-T142 VanDerWaalsContact C-N 3.35Å; G140-T142 PolarHBondContact O-N 3.41Å; T142-T145 PolarHBondContact O-N 2.71Å; T142-L146 PolarHBondContact O-N 2.88Å
143M93.3Very high93.2Very high1 Ų148.8 Ų48.81%0.00524%0.236CC..Hα-helixtrans-67.6-36.5178.9-71.4-58.410000112.8V67 L102 I132 E134 I137 K141 T145 L146 L147 V160 Y174V67-M143 HydrophobicContact CG2-CE 4.31Å; L102-M143 HydrophobicContact CD1-CE 4.11Å; I132-M143 HydrophobicContact CG2-SD 4.22Å; E134-M143 HydrophobicContact CB-SD 4.46Å; E134-M143 HydrophobicContact CG-CE 4.24Å; E134-M143 WeakPolarHBondContact OE2-CE 3.35Å; I137-M143 HydrophobicContact CD1-CB 4.46Å; I137-M143 HydrophobicContact CD1-CG 3.36Å; I137-M143 HydrophobicContact CD1-SD 4.45Å; K141-M143 PolarHBondContact O-N 3.46Å; M143-T145 VanDerWaalsContact C-N 3.34Å; M143-T145 PolarHBondContact O-N 3.44Å; M143-L146 HydrophobicContact CE-CD2 3.89Å; M143-L146 PolarHBondContact O-N 3.41Å; M143-L146 HydrophobicContact SD-CD2 4.34Å; M143-L147 VanDerWaalsContact O-CB 3.3Å; M143-L147 WeakPolarHBondContact O-CB 3.36Å; M143-L147 WeakPolarHBondContact O-CG 3.38Å; M143-L147 PolarHBondContact O-N 3.06Å; M143-V160 HydrophobicContact SD-CG1 4.08Å; M143-Y174 HydrophobicContact CB-CD1 3.75Å; M143-Y174 HydrophobicContact CB-CE1 3.36Å; M143-Y174 HydrophobicContact CB-CE2 4.41Å; M143-Y174 HydrophobicContact CB-CG 4.42Å; M143-Y174 HydrophobicContact CG-CD1 4.33Å; M143-Y174 HydrophobicContact CG-CE1 3.69Å
144K91.9Very high93Very high90 Ų9054.5 Ų54.539%0.39127%0.266SS..Hα-helixtrans-58.2-47.2174.9-82.8-166.9173.61730111.6G140 K141 Q148 V172G140-K144 PolarHBondContact O-N 3.14Å; G140-K144 VanDerWaalsContact O-N 3.11Å; K141-K144 PolarHBondContact O-N 3.3Å; K144-Q148 WeakPolarHBondContact O-CB 3.03Å; K144-Q148 VanDerWaalsContact O-CG 3.27Å; K144-Q148 WeakPolarHBondContact O-CG 3.2Å; K144-Q148 PolarHBondContact O-N 2.8Å; K144-V172 HydrophobicContact CD-CB 4.34Å; K144-V172 HydrophobicContact CD-CG2 3.57Å; K144-V172 VanDerWaalsContact CE-CG2 3.48Å; K144-V172 HydrophobicContact CG-CG2 4.17Å; K144-V172 PolarHBondContact NZ-O 3.42Å
145T89.5Confident93Very high39 Ų3955 Ų5524%0.23927%0.271CS..Hα-helixtrans-67-44.6179.4-53.50000111.6I114 K141 T142 M143 L147 Q148 L149I114-T145 HydrophobicContact CB-CG2 3.88Å; I114-T145 HydrophobicContact CD1-CG2 4.25Å; I114-T145 HydrophobicContact CG1-CG2 4.02Å; K141-T145 PolarHBondContact O-N 3.03Å; K141-T145 PolarHBondContact O-OG1 3.24Å; T142-T145 PolarHBondContact O-N 2.71Å; M143-T145 VanDerWaalsContact C-N 3.34Å; M143-T145 PolarHBondContact O-N 3.44Å; T145-L147 PolarHBondContact O-N 3.42Å; T145-Q148 PolarHBondContact O-N 3.38Å; T145-L149 PolarHBondContact O-N 3.1Å
146L91.8Very high92.9Very high3 Ų359.6 Ų59.62%0.01629%0.291CS..Hα-helixtrans-60.6-45.9177.717860000111.7V67 I100 L102 V116 I132 T142 M143 Q148 L149 L150V67-L146 HydrophobicContact CG2-CD2 4.27Å; I100-L146 HydrophobicContact CD1-CD1 3.85Å; I100-L146 HydrophobicContact CD1-CD2 3.85Å; L102-L146 HydrophobicContact CD1-CD2 4.24Å; L102-L146 HydrophobicContact CD2-CD1 4.36Å; V116-L146 HydrophobicContact CG2-CD1 4.27Å; I132-L146 HydrophobicContact CD1-CD2 3.91Å; I132-L146 HydrophobicContact CD1-CG 4.23Å; I132-L146 HydrophobicContact CG2-CD2 3.96Å; T142-L146 PolarHBondContact O-N 2.88Å; M143-L146 HydrophobicContact CE-CD2 3.89Å; M143-L146 PolarHBondContact O-N 3.41Å; M143-L146 HydrophobicContact SD-CD2 4.34Å; L146-Q148 VanDerWaalsContact C-N 3.32Å; L146-Q148 PolarHBondContact O-N 3.08Å; L146-L149 WeakPolarHBondContact O-CB 3.47Å; L146-L149 PolarHBondContact O-N 3.21Å; L146-L150 HydrophobicContact CD1-CD1 4.13Å; L146-L150 HydrophobicContact CD1-CD2 4.46Å; L146-L150 HydrophobicContact CD1-CG 4.01Å; L146-L150 HydrophobicContact CG-CD1 4.11Å; L146-L150 HydrophobicContact CG-CG 4.37Å; L146-L150 WeakPolarHBondContact O-CG 3.3Å; L146-L150 PolarHBondContact O-N 3.1Å
147L94.3Very high92.8Very high33 Ų3360.8 Ų60.817%0.17330%0.297CS..Hα-helixtrans-64.4-35.7177.7-69.9173.3000112.4I132 M143 T145 K151 V158 V160 Y174I132-L147 HydrophobicContact CD1-CD2 3.8Å; M143-L147 VanDerWaalsContact O-CB 3.3Å; M143-L147 WeakPolarHBondContact O-CB 3.36Å; M143-L147 WeakPolarHBondContact O-CG 3.38Å; M143-L147 PolarHBondContact O-N 3.06Å; T145-L147 PolarHBondContact O-N 3.42Å; L147-K151 VanDerWaalsContact O-CG 3.23Å; L147-K151 WeakPolarHBondContact O-CG 3.23Å; L147-K151 PolarHBondContact O-N 3.22Å; L147-K151 VanDerWaalsContact O-N 3.14Å; L147-V158 HydrophobicContact CD2-CB 4.38Å; L147-V158 HydrophobicContact CD2-CG1 3.49Å; L147-V158 VanDerWaalsContact CD2-CG1 3.49Å; L147-V160 HydrophobicContact CD1-CG2 4.42Å; L147-V160 HydrophobicContact CD2-CG2 4Å; L147-Y174 HydrophobicContact CD1-CD2 4.33Å; L147-Y174 HydrophobicContact CD1-CE2 3.39Å
148Q92Very high92.9Very high125 Ų12562.4 Ų62.458%0.58431%0.307SS*.Hα-helixtrans-64.9-40.1173.6-77.5173.6-12.800112.2K144 T145 L146K144-Q148 WeakPolarHBondContact O-CB 3.03Å; K144-Q148 VanDerWaalsContact O-CG 3.27Å; K144-Q148 WeakPolarHBondContact O-CG 3.2Å; K144-Q148 PolarHBondContact O-N 2.8Å; T145-Q148 PolarHBondContact O-N 3.38Å; L146-Q148 VanDerWaalsContact C-N 3.32Å; L146-Q148 PolarHBondContact O-N 3.08Å
149L90.5Very high93.1Very high44 Ų4461.9 Ų61.923%0.2330%0.302CS..Hα-helixtrans-65-51.2175.3177.365.8000111.3V116 L122 T145 L146 K151 Q152 Y153V116-L149 HydrophobicContact CB-CD2 4.38Å; V116-L149 HydrophobicContact CG2-CD2 3.37Å; L122-L149 HydrophobicContact CD1-CD2 3.92Å; L122-L149 HydrophobicContact CD1-CG 4.21Å; T145-L149 PolarHBondContact O-N 3.1Å; L146-L149 WeakPolarHBondContact O-CB 3.47Å; L146-L149 PolarHBondContact O-N 3.21Å; L149-K151 PolarHBondContact O-N 2.9Å; L149-Q152 VanDerWaalsContact O-CB 3.29Å; L149-Q152 WeakPolarHBondContact O-CB 3.38Å; L149-Q152 WeakPolarHBondContact O-CG 3.41Å; L149-Q152 PolarHBondContact O-N 3.2Å; L149-Y153 HydrophobicContact CD1-CE2 4.22Å; L149-Y153 HydrophobicContact CG-CE2 4.38Å; L149-Y153 WeakPolarHBondContact O-CD2 3.19Å
150L92.4Very high93.4Very high1 Ų160.5 Ų60.51%0.00529%0.294CS..Hα-helixtrans-62.7-30.8-176.9-68.7-178.1000113.1L65 L122 L125 I132 L146 Q152 Y153 P155L65-L150 HydrophobicContact CD2-CD1 4.25Å; L122-L150 HydrophobicContact CD1-CD2 4.36Å; L122-L150 HydrophobicContact CD2-CD2 4.02Å; L125-L150 HydrophobicContact CD1-CD2 3.54Å; I132-L150 HydrophobicContact CD1-CD1 3.49Å; I132-L150 VanDerWaalsContact CD1-CD1 3.49Å; I132-L150 HydrophobicContact CG1-CD1 4.17Å; L146-L150 HydrophobicContact CD1-CD1 4.13Å; L146-L150 HydrophobicContact CD1-CD2 4.46Å; L146-L150 HydrophobicContact CD1-CG 4.01Å; L146-L150 HydrophobicContact CG-CD1 4.11Å; L146-L150 HydrophobicContact CG-CG 4.37Å; L146-L150 WeakPolarHBondContact O-CG 3.3Å; L146-L150 PolarHBondContact O-N 3.1Å; L150-Q152 PolarHBondContact O-N 3.18Å; L150-Y153 PolarHBondContact O-N 3.03Å; L150-Y153 VanDerWaalsContact O-N 3.08Å; L150-P155 WeakPolarHBondContact O-CD 3.5Å
151K92.5Very high93.7Very high146 Ų14660.2 Ų60.264%0.63529%0.291SS*.Hα-helixtrans-56.8-29.4174.1-81.8173.8-176.2-172.80113.3L147 L149 Y153 N154L147-K151 VanDerWaalsContact O-CG 3.23Å; L147-K151 WeakPolarHBondContact O-CG 3.23Å; L147-K151 PolarHBondContact O-N 3.22Å; L147-K151 VanDerWaalsContact O-N 3.14Å; L149-K151 PolarHBondContact O-N 2.9Å; K151-Y153 PolarHBondContact O-N 3.24Å; K151-N154 PolarHBondContact O-N 3.49Å
152Q93.3Very high94.1Very high138 Ų13854.5 Ų54.565%0.64527%0.266SS*.THydrogen-bonded Turntrans-67-21.1-179.6-57175.820.200112.5L149 L150L149-Q152 VanDerWaalsContact O-CB 3.29Å; L149-Q152 WeakPolarHBondContact O-CB 3.38Å; L149-Q152 WeakPolarHBondContact O-CG 3.41Å; L149-Q152 PolarHBondContact O-N 3.2Å; L150-Q152 PolarHBondContact O-N 3.18Å
153Y93.9Very high94.6Very high68 Ų6851.9 Ų51.927%0.26725%0.25SS..THydrogen-bonded Turntrans-96.57.6180-59.5-84.2000113L122 T126 L149 L150 K151 P155L122-Y153 HydrophobicContact CB-CD1 4.04Å; L122-Y153 HydrophobicContact CB-CD2 3.82Å; L122-Y153 HydrophobicContact CB-CE1 3.78Å; L122-Y153 HydrophobicContact CB-CE2 3.58Å; L122-Y153 HydrophobicContact CB-CG 4.03Å; L122-Y153 HydrophobicContact CD1-CD2 4.37Å; L122-Y153 HydrophobicContact CD1-CE2 3.66Å; L122-Y153 HydrophobicContact CG-CE2 4.29Å; T126-Y153 VanDerWaalsContact CA-O 3.25Å; T126-Y153 WeakPolarHBondContact CA-O 3.3Å; T126-Y153 WeakPolarHBondContact CB-O 3.34Å; T126-Y153 PolarHBondContact OG1-O 2.98Å; T126-Y153 VanDerWaalsContact OG1-O 3.08Å; L149-Y153 HydrophobicContact CD1-CE2 4.22Å; L149-Y153 HydrophobicContact CG-CE2 4.38Å; L149-Y153 WeakPolarHBondContact O-CD2 3.19Å; L150-Y153 PolarHBondContact O-N 3.03Å; L150-Y153 VanDerWaalsContact O-N 3.08Å; K151-Y153 PolarHBondContact O-N 3.24Å; Y153-P155 VanDerWaalsContact C-CD 3.5Å
154N94.6Very high94.8Very high120 Ų12051.9 Ų51.964%0.64225%0.25SS*.  trans47.753.5175.7-56.6-53.9000114.9G127 K151G127-N154 PolarHBondContact N-O 3.42Å; K151-N154 PolarHBondContact O-N 3.49Å
155P96.1Very high95.1Very high24 Ų2447.8 Ų47.816%0.15623%0.232CC..  trans-61149.5168.628.4-35.1000110.3L125 V130 L150 Y153 M157 V158L125-P155 WeakPolarHBondContact O-CA 3.22Å; V130-P155 HydrophobicContact CG2-CB 3.85Å; L150-P155 WeakPolarHBondContact O-CD 3.5Å; Y153-P155 VanDerWaalsContact C-CD 3.5Å; P155-M157 VanDerWaalsContact C-N 3.3Å; P155-M157 PolarHBondContact O-N 2.77Å; P155-V158 HydrophobicContact CB-CG2 3.84Å; P155-V158 HydrophobicContact CG-CG2 3.25Å
156Q95.3Very high95.5Very high117 Ų11746.7 Ų46.755%0.54722%0.224SC..SBendtrans-64.2-40.3176.7177.2-178.93.400111.1H60 K128 N129H60-Q156 PolarHBondContact CD2-OE1 2.96Å; H60-Q156 VanDerWaalsContact CD2-OE1 3.25Å; K128-Q156 PolarHBondContact O-N 3.05Å; N129-Q156 PolarHBondContact OD1-OE1 2.78Å
157M95.8Very high95.7Very high64 Ų6449.6 Ų49.632%0.31524%0.235SC..EExtended strand (participates in β ladder)trans-149.9144.6179.1-175.9-176.1-6600108.6M57 K128 N129 V130 P155 K159M57-M157 HydrophobicContact CE-SD 4.41Å; M57-M157 HydrophobicContact CG-SD 4.22Å; K128-M157 PolarHBondContact O-N 2.82Å; N129-M157 CarbonylContact C-O 3.54Å; N129-M157 WeakPolarHBondContact CA-O 3.27Å; N129-M157 HydrophobicContact CB-CB 4.32Å; N129-M157 WeakPolarHBondContact OD1-CB 3.5Å; V130-M157 PolarHBondContact N-O 3.15Å; P155-M157 VanDerWaalsContact C-N 3.3Å; P155-M157 PolarHBondContact O-N 2.77Å; M157-K159 HydrophobicContact CG-CG 4.03Å; M157-K159 HydrophobicContact SD-CD 4.47Å; M157-K159 HydrophobicContact SD-CG 3.84Å
158V97.3Very high95.6Very high39 Ų3948.6 Ų48.624%0.23623%0.231CC..EExtended strand (participates in β ladder)trans-126.9128.4168-172.20000108.1V130 I132 L147 P155V130-V158 HydrophobicContact CB-CG1 4.49Å; V130-V158 HydrophobicContact CB-CG2 4.4Å; V130-V158 WeakPolarHBondContact O-CA 3.46Å; I132-V158 HydrophobicContact CD1-CG1 3.81Å; I132-V158 HydrophobicContact CG1-CG1 4.19Å; L147-V158 HydrophobicContact CD2-CB 4.38Å; L147-V158 HydrophobicContact CD2-CG1 3.49Å; L147-V158 VanDerWaalsContact CD2-CG1 3.49Å; P155-V158 HydrophobicContact CB-CG2 3.84Å; P155-V158 HydrophobicContact CG-CG2 3.25Å
159K97.9Very high95.7Very high36 Ų3648.8 Ų48.816%0.15724%0.243CC..EExtended strand (participates in β ladder)trans-128.3147.2175-66.4-69.1175.7166.90109.9E56 M57 V130 L131 I132 M157 D177 F178E56-K159 WeakPolarHBondContact OE1-CE 3.47Å; E56-K159 IonicContact OE1-NZ 3.78Å; E56-K159 PolarHBondContact OE1-NZ 3.22Å; M57-K159 HydrophobicContact CE-CB 4.06Å; M57-K159 HydrophobicContact CE-CG 4.03Å; M57-K159 HydrophobicContact CG-CG 4.22Å; M57-K159 HydrophobicContact SD-CB 3.66Å; M57-K159 HydrophobicContact SD-CG 3.69Å; V130-K159 PolarHBondContact O-N 3.16Å; L131-K159 WeakPolarHBondContact CA-O 3.17Å; L131-K159 HydrophobicContact CD1-CB 4.32Å; I132-K159 PolarHBondContact N-O 3.46Å; M157-K159 HydrophobicContact CG-CG 4.03Å; M157-K159 HydrophobicContact SD-CD 4.47Å; M157-K159 HydrophobicContact SD-CG 3.84Å; K159-D177 WeakPolarHBondContact CA-OD2 3.26Å; K159-D177 HydrophobicContact CB-CB 4.49Å; K159-D177 HydrophobicContact CD-CB 3.78Å; K159-D177 WeakPolarHBondContact CD-OD1 3.15Å; K159-D177 IonicContact NZ-OD1 3.57Å; K159-D177 PolarHBondContact NZ-OD1 3.11Å; K159-F178 HydrophobicContact CB-CE2 3.9Å; K159-F178 HydrophobicContact CD-CE2 4.45Å; K159-F178 HydrophobicContact CG-CE2 4.28Å
160V98.4Very high95.8Very high1 Ų152.5 Ų52.51%0.00625%0.254CS..EExtended strand (participates in β ladder)trans-119.4124.8179.3-174.10000110.3I132 M143 L147 Y174 P176 D177 F178I132-V160 HydrophobicContact CB-CG1 4.43Å; I132-V160 HydrophobicContact CB-CG2 4.12Å; I132-V160 HydrophobicContact CD1-CG2 4.06Å; I132-V160 HydrophobicContact CG1-CG2 4.44Å; I132-V160 WeakPolarHBondContact O-CA 3.33Å; M143-V160 HydrophobicContact SD-CG1 4.08Å; L147-V160 HydrophobicContact CD1-CG2 4.42Å; L147-V160 HydrophobicContact CD2-CG2 4Å; V160-Y174 WeakPolarHBondContact CB-OH 3.41Å; V160-Y174 WeakPolarHBondContact CG2-OH 3.29Å; V160-P176 HydrophobicContact CB-CB 4.26Å; V160-P176 HydrophobicContact CG1-CB 4.16Å; V160-P176 WeakPolarHBondContact O-CB 3.37Å; V160-D177 PolarHBondContact N-OD2 2.93Å; V160-D177 PolarHBondContact O-N 3.42Å; V160-F178 PolarHBondContact O-N 3.18Å
161A98.6Very high95.8Very high0 Ų054.6 Ų54.60%027%0.268CS..EExtended strand (participates in β ladder)trans-102.3128.4166.100000109.3I53 F74 L78 L131 I132 V133 E134 F178I53-A161 HydrophobicContact CD1-CB 4.22Å; F74-A161 HydrophobicContact CE1-CB 4.35Å; L78-A161 HydrophobicContact CD2-CB 4.29Å; L131-A161 HydrophobicContact CD1-CB 4.11Å; I132-A161 PolarHBondContact O-N 2.7Å; V133-A161 WeakPolarHBondContact CA-O 3.24Å; E134-A161 PolarHBondContact N-O 3Å; A161-F178 CarbonylContact C-O 3.52Å; A161-F178 WeakPolarHBondContact CA-O 3.47Å; A161-F178 HydrophobicContact CB-CB 4Å; A161-F178 HydrophobicContact CB-CD2 4.4Å
162S98.4Very high95.9Very high0 Ų049.9 Ų49.90%025%0.251CS..EExtended strand (participates in β ladder)trans-129136.7170.8-170.60000111.2E134 L164 F178 V179 G180E134-S162 VanDerWaalsContact O-CA 3.26Å; E134-S162 WeakPolarHBondContact O-CA 3.35Å; E134-S162 PolarHBondContact O-OG 2.96Å; S162-L164 PolarHBondContact OG-O 3.41Å; S162-L164 VanDerWaalsContact OG-O 3.05Å; S162-F178 PolarHBondContact N-O 2.93Å; S162-V179 WeakPolarHBondContact O-CA 3.16Å; S162-G180 PolarHBondContact O-N 3.15Å
163L98.7Very high95.9Very high1 Ų146.1 Ų46.11%0.00525%0.25CC..EExtended strand (participates in β ladder)trans-66.6-47.2177.2178.262.4000110.3I42 F74 E134 D135 G180 F181 Y191 I205I42-L163 HydrophobicContact CG2-CD1 3.94Å; I42-L163 HydrophobicContact CG2-CD2 4.13Å; F74-L163 HydrophobicContact CB-CB 4.41Å; F74-L163 HydrophobicContact CB-CD2 4.43Å; F74-L163 HydrophobicContact CD1-CB 3.8Å; F74-L163 HydrophobicContact CD2-CB 4Å; F74-L163 HydrophobicContact CD2-CD1 4.08Å; F74-L163 HydrophobicContact CD2-CG 4.42Å; F74-L163 HydrophobicContact CE1-CB 4.02Å; F74-L163 HydrophobicContact CE2-CB 4.2Å; F74-L163 HydrophobicContact CE2-CD1 4.11Å; F74-L163 HydrophobicContact CG-CB 3.81Å; F74-L163 HydrophobicContact CG-CD2 4.49Å; F74-L163 HydrophobicContact CZ-CB 4.22Å; E134-L163 PolarHBondContact O-N 3.05Å; D135-L163 WeakPolarHBondContact O-CB 3.29Å; D135-L163 PolarHBondContact O-N 2.79Å; L163-G180 CarbonylContact O-C 3.57Å; L163-G180 VanDerWaalsContact O-CA 3.27Å; L163-G180 WeakPolarHBondContact O-CA 3.4Å; L163-G180 PolarHBondContact O-N 2.92Å; L163-F181 HydrophobicContact CD1-CD2 3.82Å; L163-F181 HydrophobicContact CD1-CE2 3.77Å; L163-F181 HydrophobicContact CG-CD2 4.46Å; L163-F181 PolarHBondContact O-N 3.28Å; L163-Y191 HydrophobicContact CD2-CD1 3.43Å; L163-Y191 VanDerWaalsContact CD2-CD1 3.43Å; L163-Y191 HydrophobicContact CD2-CE1 3.61Å; L163-I205 HydrophobicContact CD2-CD1 3.89Å
164L98.6Very high95.9Very high1 Ų144.1 Ų44.11%0.00524%0.242CC..EExtended strand (participates in β ladder)trans-120.9140.2-177.5-56.3-174.8000112.2I37 D135 I136 I137 S162 F181 V183 V188 L193 I205I37-L164 HydrophobicContact CD1-CD2 3.66Å; D135-L164 PolarHBondContact O-N 3.25Å; I136-L164 CarbonylContact C-O 3.59Å; I136-L164 WeakPolarHBondContact CA-O 3.12Å; I136-L164 HydrophobicContact CB-CB 4.05Å; I136-L164 HydrophobicContact CD1-CB 4.12Å; I136-L164 HydrophobicContact CD1-CD1 4.04Å; I136-L164 HydrophobicContact CG1-CB 3.78Å; I136-L164 HydrophobicContact CG1-CD1 4.49Å; I137-L164 PolarHBondContact N-O 3.16Å; S162-L164 PolarHBondContact OG-O 3.41Å; S162-L164 VanDerWaalsContact OG-O 3.05Å; L164-F181 CarbonylContact C-O 3.5Å; L164-F181 WeakPolarHBondContact CA-O 2.8Å; L164-F181 HydrophobicContact CD2-CB 3.83Å; L164-F181 HydrophobicContact CD2-CD2 4.09Å; L164-F181 HydrophobicContact CD2-CG 4.28Å; L164-V183 HydrophobicContact CD2-CG1 4.16Å; L164-V188 HydrophobicContact CD1-CG2 3.87Å; L164-L193 HydrophobicContact CD1-CD1 3.62Å; L164-I205 HydrophobicContact CD1-CD1 4.17Å; L164-I205 HydrophobicContact CD1-CG2 4.44Å; L164-I205 HydrophobicContact CD2-CD1 4.1Å; L164-I205 HydrophobicContact CG-CD1 4.4Å
165V97.9Very high95.9Very high3 Ų344.4 Ų44.42%0.01823%0.234CC..EExtended strand (participates in β ladder)trans-126.1123.8166.3178.40000108.8I137 P176 V179 F181 E182 V183I137-V165 HydrophobicContact CB-CG1 4.4Å; I137-V165 HydrophobicContact CB-CG2 4.14Å; I137-V165 HydrophobicContact CG1-CG2 4.2Å; V165-P176 HydrophobicContact CG2-CG 3.89Å; V165-V179 HydrophobicContact CB-CG1 4.19Å; V165-V179 HydrophobicContact CG2-CB 4.41Å; V165-V179 HydrophobicContact CG2-CG1 3.64Å; V165-V179 HydrophobicContact CG2-CG2 3.89Å; V165-F181 PolarHBondContact N-O 2.97Å; V165-E182 CarbonylContact O-C 3.55Å; V165-E182 WeakPolarHBondContact O-CA 2.93Å; V165-V183 PolarHBondContact O-N 2.93Å
166K96.3Very high96Very high16 Ų1643.8 Ų43.87%0.0723%0.23CC..EExtended strand (participates in β ladder)trans-82134.3177.8-74.5-176.9157.8-156.20112I136 I137 D138 T168 V183 D185 K186I136-K166 HydrophobicContact CD1-CD 4.06Å; I136-K166 HydrophobicContact CD1-CG 4Å; I136-K166 HydrophobicContact CG1-CG 4.43Å; I137-K166 PolarHBondContact O-N 3.34Å; D138-K166 HydrophobicContact CB-CD 4.11Å; D138-K166 WeakPolarHBondContact OD1-CD 3.41Å; K166-T168 HydrophobicContact CB-CG2 4.28Å; K166-T168 PolarHBondContact O-N 3.08Å; K166-V183 CarbonylContact C-O 3.57Å; K166-V183 WeakPolarHBondContact CA-O 3.31Å; K166-V183 HydrophobicContact CG-CG2 3.99Å; K166-D185 IonicContact NZ-OD1 3.63Å; K166-D185 PolarHBondContact NZ-OD1 3.03Å; K166-K186 WeakPolarHBondContact CE-O 3.29Å; K166-K186 PolarHBondContact NZ-O 2.81Å
167R96.1Very high96.1Very high64 Ų6441.2 Ų41.224%0.24222%0.22CC..EExtended strand (participates in β ladder)trans-80.894.4160.9-66.4-171.9-55.7-83.1-5.4108.5I10 D12 E182 V183I10-R167 VanDerWaalsContact O-CZ 3.23Å; I10-R167 PolarHBondContact O-NH1 2.97Å; I10-R167 PolarHBondContact O-NH2 2.93Å; D12-R167 IonicContact OD1-CZ 2.8Å; D12-R167 IonicContact OD1-NE 2.65Å; D12-R167 IonicContact OD1-NH2 3.58Å; D12-R167 PolarHBondContact OD1-NH2 2.83Å; R167-E182 WeakPolarHBondContact CD-OE1 3.38Å; R167-E182 HydrophobicContact CG-CG 3.63Å; R167-E182 WeakPolarHBondContact CG-OE1 3.15Å; R167-E182 VanDerWaalsContact NH1-C 3.33Å; R167-E182 PolarHBondContact NH1-O 3.05Å; R167-V183 PolarHBondContact N-O 2.81Å
168T93.7Very high96.2Very high13 Ų1338.4 Ų38.48%0.0821%0.206CC..  trans-132.1140.8179.3-178.20000111D138 K166 R170 S171 D185D138-T168 WeakPolarHBondContact O-CG2 3.33Å; K166-T168 HydrophobicContact CB-CG2 4.28Å; K166-T168 PolarHBondContact O-N 3.08Å; T168-R170 HydrophobicContact CG2-CB 4.26Å; T168-R170 PolarHBondContact O-N 2.88Å; T168-R170 VanDerWaalsContact O-N 3.15Å; T168-R170 PolarHBondContact OG1-N 2.9Å; T168-R170 PolarHBondContact OG1-NE 2.85Å; T168-S171 VanDerWaalsContact O-CB 3.28Å; T168-S171 WeakPolarHBondContact O-CB 3.48Å; T168-S171 PolarHBondContact O-N 3.47Å; T168-S171 VanDerWaalsContact O-N 3.13Å; T168-D185 WeakPolarHBondContact CB-OD2 3.38Å; T168-D185 PolarHBondContact OG1-OD2 3.38Å
169P93.7Very high96.3Very high129 Ų12937.3 Ų37.384%0.83820%0.2SC*.THydrogen-bonded Turntrans-64-14.9172.727.8-36.1000112.7S171P169-S171 PolarHBondContact O-N 3.27Å
170R91.8Very high96.3Very high122 Ų12235.6 Ų35.646%0.4619%0.192SC..THydrogen-bonded Turntrans-78.4-3.5176.6-59.3175.9-70.4127.79.8113.1D138 T139 T168 D185D138-R170 IonicContact OD1-CZ 3.18Å; D138-R170 IonicContact OD1-NH2 2.77Å; D138-R170 PolarHBondContact OD1-NH2 3.11Å; D138-R170 IonicContact OD2-CZ 3.59Å; D138-R170 IonicContact OD2-NH1 2.7Å; D138-R170 PolarHBondContact OD2-NH1 3.19Å; D138-R170 IonicContact OD2-NH2 3.49Å; D138-R170 PolarHBondContact OD2-NH2 3.43Å; T139-R170 HydrophobicContact CG2-CB 4.05Å; T168-R170 HydrophobicContact CG2-CB 4.26Å; T168-R170 PolarHBondContact O-N 2.88Å; T168-R170 VanDerWaalsContact O-N 3.15Å; T168-R170 PolarHBondContact OG1-N 2.9Å; T168-R170 PolarHBondContact OG1-NE 2.85Å; R170-D185 IonicContact CZ-OD2 3.1Å; R170-D185 IonicContact NE-OD2 2.67Å; R170-D185 PolarHBondContact NE-OD2 2.98Å; R170-D185 VanDerWaalsContact NH2-CG 3.34Å; R170-D185 IonicContact NH2-OD1 3.7Å; R170-D185 PolarHBondContact NH2-OD1 2.78Å; R170-D185 IonicContact NH2-OD2 3.78Å; R170-D185 PolarHBondContact NH2-OD2 2.81Å
171S92.6Very high96.3Very high44 Ų4435.6 Ų35.631%0.30819%0.192SC..  trans-67.5136.7-176.9-1780000111.7T168 P169 G173T168-S171 VanDerWaalsContact O-CB 3.28Å; T168-S171 WeakPolarHBondContact O-CB 3.48Å; T168-S171 PolarHBondContact O-N 3.47Å; T168-S171 VanDerWaalsContact O-N 3.13Å; P169-S171 PolarHBondContact O-N 3.27Å; S171-G173 PolarHBondContact O-N 3.37Å; S171-G173 PolarHBondContact OG-N 3.07Å; S171-G173 VanDerWaalsContact OG-N 3.16Å
172V94Very high96.3Very high47 Ų4737.1 Ų37.129%0.28520%0.199SC..  trans-82.911.4171.8-55.30000112.9T139 K141 K144 Y174T139-V172 WeakPolarHBondContact O-CG2 3.49Å; T139-V172 PolarHBondContact O-N 3.38Å; K141-V172 HydrophobicContact CG-CG1 3.71Å; K144-V172 HydrophobicContact CD-CB 4.34Å; K144-V172 HydrophobicContact CD-CG2 3.57Å; K144-V172 VanDerWaalsContact CE-CG2 3.48Å; K144-V172 HydrophobicContact CG-CG2 4.17Å; K144-V172 PolarHBondContact NZ-O 3.42Å; V172-Y174 VanDerWaalsContact C-N 3.3Å; V172-Y174 PolarHBondContact O-N 3.29Å
173G93.3Very high96.2Very high59 Ų5937.2 Ų37.261%0.60820%0.2SC*.SBendtrans76.79.4179.600000115.1S171S171-G173 PolarHBondContact O-N 3.37Å; S171-G173 PolarHBondContact OG-N 3.07Å; S171-G173 VanDerWaalsContact OG-N 3.16Å
174Y95.1Very high96.1Very high27 Ų2737.5 Ų37.511%0.10620%0.202CC..  trans-71.8136.4174.6173.9-100.6000110.8I137 M143 L147 V160 V172 P176I137-Y174 HydrophobicContact CD1-CE1 4.24Å; I137-Y174 HydrophobicContact CG1-CE1 4.44Å; I137-Y174 HydrophobicContact CG2-CD1 4.1Å; M143-Y174 HydrophobicContact CB-CD1 3.75Å; M143-Y174 HydrophobicContact CB-CE1 3.36Å; M143-Y174 HydrophobicContact CB-CE2 4.41Å; M143-Y174 HydrophobicContact CB-CG 4.42Å; M143-Y174 HydrophobicContact CG-CD1 4.33Å; M143-Y174 HydrophobicContact CG-CE1 3.69Å; L147-Y174 HydrophobicContact CD1-CD2 4.33Å; L147-Y174 HydrophobicContact CD1-CE2 3.39Å; V160-Y174 WeakPolarHBondContact CB-OH 3.41Å; V160-Y174 WeakPolarHBondContact CG2-OH 3.29Å; V172-Y174 VanDerWaalsContact C-N 3.3Å; V172-Y174 PolarHBondContact O-N 3.29Å; Y174-P176 HydrophobicContact CE1-CG 4.14Å
175R95.1Very high96Very high125 Ų12540.5 Ų40.547%0.47222%0.218SC..  trans-131128.1177.4-68.9-66.8-172.2158.51.5109.6E182R175-E182 IonicContact CZ-OE1 2.83Å; R175-E182 IonicContact CZ-OE2 3.6Å; R175-E182 IonicContact NH1-OE1 3.04Å; R175-E182 PolarHBondContact NH1-OE1 3.28Å; R175-E182 IonicContact NH1-OE2 3.5Å; R175-E182 PolarHBondContact NH1-OE2 2.74Å; R175-E182 IonicContact NH2-OE1 2.81Å; R175-E182 PolarHBondContact NH2-OE1 3.24Å; R175-E182 IonicContact NH2-OE2 2.86Å
176P97.1Very high95.8Very high12 Ų1243.1 Ų43.18%0.07823%0.229CC..  trans-64.2159.1171.9-20.833000112.7I137 V160 V165 Y174 V179I137-P176 HydrophobicContact CD1-CG 4.37Å; I137-P176 HydrophobicContact CG1-CG 3.55Å; V160-P176 HydrophobicContact CB-CB 4.26Å; V160-P176 HydrophobicContact CG1-CB 4.16Å; V160-P176 WeakPolarHBondContact O-CB 3.37Å; V165-P176 HydrophobicContact CG2-CG 3.89Å; Y174-P176 HydrophobicContact CE1-CG 4.14Å; P176-V179 HydrophobicContact CB-CG2 3.95Å; P176-V179 HydrophobicContact CG-CG2 4.12Å
177D97.9Very high95.7Very high63 Ų6346.7 Ų46.734%0.33725%0.245SC..SBendtrans-71.5-38.3174.1-55.6-96.2000111.9K159 V160K159-D177 WeakPolarHBondContact CA-OD2 3.26Å; K159-D177 HydrophobicContact CB-CB 4.49Å; K159-D177 HydrophobicContact CD-CB 3.78Å; K159-D177 WeakPolarHBondContact CD-OD1 3.15Å; K159-D177 IonicContact NZ-OD1 3.57Å; K159-D177 PolarHBondContact NZ-OD1 3.11Å; V160-D177 PolarHBondContact N-OD2 2.93Å; V160-D177 PolarHBondContact O-N 3.42Å
178F98.3Very high95.8Very high4 Ų444.1 Ų44.12%0.01824%0.236CC..EExtended strand (participates in β ladder)trans-121.8118.6179.9-52.1-74.1000109.7L49 E52 I53 E56 M57 L131 K159 V160 A161 S162L49-F178 HydrophobicContact CD2-CB 4.23Å; E52-F178 HydrophobicContact CB-CD1 4.1Å; E52-F178 HydrophobicContact CB-CE1 4.16Å; I53-F178 HydrophobicContact CB-CE2 4.5Å; I53-F178 HydrophobicContact CB-CZ 4.43Å; I53-F178 HydrophobicContact CD1-CD2 4.22Å; I53-F178 HydrophobicContact CD1-CG 4.32Å; I53-F178 HydrophobicContact CG1-CB 4.48Å; I53-F178 HydrophobicContact CG1-CD1 3.94Å; I53-F178 HydrophobicContact CG1-CD2 3.54Å; I53-F178 HydrophobicContact CG1-CE1 3.99Å; I53-F178 HydrophobicContact CG1-CE2 3.59Å; I53-F178 HydrophobicContact CG1-CG 3.72Å; I53-F178 HydrophobicContact CG1-CZ 3.83Å; E56-F178 HydrophobicContact CB-CZ 4.11Å; E56-F178 HydrophobicContact CG-CZ 4.47Å; M57-F178 HydrophobicContact SD-CE2 4.22Å; L131-F178 HydrophobicContact CD1-CD2 4.31Å; L131-F178 HydrophobicContact CD1-CE2 4.4Å; K159-F178 HydrophobicContact CB-CE2 3.9Å; K159-F178 HydrophobicContact CD-CE2 4.45Å; K159-F178 HydrophobicContact CG-CE2 4.28Å; V160-F178 PolarHBondContact O-N 3.18Å; A161-F178 CarbonylContact C-O 3.52Å; A161-F178 WeakPolarHBondContact CA-O 3.47Å; A161-F178 HydrophobicContact CB-CB 4Å; A161-F178 HydrophobicContact CB-CD2 4.4Å; S162-F178 PolarHBondContact N-O 2.93Å
179V98.4Very high96Very high17 Ų1743.5 Ų43.510%0.10323%0.232CC..EExtended strand (participates in β ladder)trans-121.9123.6-175.3178.90000110C7 R45 S162 V165 P176C7-V179 HydrophobicContact CB-CB 3.78Å; C7-V179 HydrophobicContact CB-CG1 3.64Å; C7-V179 WeakPolarHBondContact CB-O 3.43Å; R45-V179 PolarHBondContact NE-O 3.33Å; R45-V179 PolarHBondContact NH2-O 3.17Å; S162-V179 WeakPolarHBondContact O-CA 3.16Å; V165-V179 HydrophobicContact CB-CG1 4.19Å; V165-V179 HydrophobicContact CG2-CB 4.41Å; V165-V179 HydrophobicContact CG2-CG1 3.64Å; V165-V179 HydrophobicContact CG2-CG2 3.89Å; P176-V179 HydrophobicContact CB-CG2 3.95Å; P176-V179 HydrophobicContact CG-CG2 4.12Å
180G98.5Very high96.2Very high0 Ų037.3 Ų37.30%019%0.192CC..EExtended strand (participates in β ladder)trans-66.2-69.7172.300000110.9V8 R45 S162 L163V8-G180 PolarHBondContact N-O 3.01Å; R45-G180 PolarHBondContact NE-O 3.02Å; S162-G180 PolarHBondContact O-N 3.15Å; L163-G180 CarbonylContact O-C 3.57Å; L163-G180 VanDerWaalsContact O-CA 3.27Å; L163-G180 WeakPolarHBondContact O-CA 3.4Å; L163-G180 PolarHBondContact O-N 2.92Å
181F98.6Very high96.6Very high0 Ų031.8 Ų31.80%017%0.171CC..EExtended strand (participates in β ladder)trans-131.9137.4-174-55.1-95.7000111.2V8 I10 I37 L41 I42 R45 L163 L164 V165 V183V8-F181 HydrophobicContact CB-CD1 3.52Å; V8-F181 HydrophobicContact CB-CE1 3.8Å; V8-F181 HydrophobicContact CB-CG 4.35Å; V8-F181 HydrophobicContact CG1-CD1 3.66Å; V8-F181 HydrophobicContact CG1-CE1 3.85Å; V8-F181 HydrophobicContact CG2-CD1 4.25Å; V8-F181 HydrophobicContact CG2-CE1 4.06Å; V8-F181 CarbonylContact O-C 3.57Å; V8-F181 VanDerWaalsContact O-CA 3.22Å; V8-F181 WeakPolarHBondContact O-CA 3.4Å; I10-F181 HydrophobicContact CD1-CD1 4.31Å; I37-F181 HydrophobicContact CD1-CB 4.08Å; I37-F181 HydrophobicContact CD1-CD1 3.99Å; I37-F181 HydrophobicContact CD1-CD2 4.13Å; I37-F181 HydrophobicContact CD1-CG 3.8Å; I37-F181 HydrophobicContact CG2-CD1 4.32Å; I37-F181 HydrophobicContact CG2-CE1 3.85Å; I37-F181 HydrophobicContact CG2-CE2 4.27Å; I37-F181 HydrophobicContact CG2-CZ 3.83Å; L41-F181 HydrophobicContact CD2-CE1 4.04Å; L41-F181 HydrophobicContact CG-CE1 3.9Å; L41-F181 HydrophobicContact CG-CZ 4Å; I42-F181 HydrophobicContact CG1-CE2 4.49Å; R45-F181 HydrophobicContact CB-CE1 4.42Å; R45-F181 HydrophobicContact CB-CE2 3.8Å; R45-F181 HydrophobicContact CB-CZ 3.53Å; R45-F181 HydrophobicContact CG-CD2 4.45Å; R45-F181 HydrophobicContact CG-CE2 3.82Å; R45-F181 HydrophobicContact CG-CZ 3.86Å; L163-F181 HydrophobicContact CD1-CD2 3.82Å; L163-F181 HydrophobicContact CD1-CE2 3.77Å; L163-F181 HydrophobicContact CG-CD2 4.46Å; L163-F181 PolarHBondContact O-N 3.28Å; L164-F181 CarbonylContact C-O 3.5Å; L164-F181 WeakPolarHBondContact CA-O 2.8Å; L164-F181 HydrophobicContact CD2-CB 3.83Å; L164-F181 HydrophobicContact CD2-CD2 4.09Å; L164-F181 HydrophobicContact CD2-CG 4.28Å; V165-F181 PolarHBondContact N-O 2.97Å; F181-V183 HydrophobicContact CB-CG1 4.02Å
182E98Very high96.8Very high32 Ų3229.7 Ų29.715%0.1516%0.157CC..EExtended strand (participates in β ladder)trans-100.3119.2165.7-172.3166.716000109V8 V9 I10 V165 R167 R175V8-E182 PolarHBondContact O-N 3.3Å; V9-E182 HydrophobicContact CG2-CB 4.42Å; I10-E182 PolarHBondContact N-O 3.27Å; V165-E182 CarbonylContact O-C 3.55Å; V165-E182 WeakPolarHBondContact O-CA 2.93Å; R167-E182 WeakPolarHBondContact CD-OE1 3.38Å; R167-E182 HydrophobicContact CG-CG 3.63Å; R167-E182 WeakPolarHBondContact CG-OE1 3.15Å; R167-E182 VanDerWaalsContact NH1-C 3.33Å; R167-E182 PolarHBondContact NH1-O 3.05Å; R175-E182 IonicContact CZ-OE1 2.83Å; R175-E182 IonicContact CZ-OE2 3.6Å; R175-E182 IonicContact NH1-OE1 3.04Å; R175-E182 PolarHBondContact NH1-OE1 3.28Å; R175-E182 IonicContact NH1-OE2 3.5Å; R175-E182 PolarHBondContact NH1-OE2 2.74Å; R175-E182 IonicContact NH2-OE1 2.81Å; R175-E182 PolarHBondContact NH2-OE1 3.24Å; R175-E182 IonicContact NH2-OE2 2.86Å
183V97.4Very high97Very high2 Ų227.8 Ų27.81%0.01215%0.145CC..EExtended strand (participates in β ladder)trans-121.8153.7-168.6-58.50000112.2I10 Y36 I37 L164 V165 K166 R167 F181I10-V183 HydrophobicContact CB-CG1 4.5Å; I10-V183 HydrophobicContact CD1-CG1 3.95Å; I10-V183 HydrophobicContact CG1-CG1 4.35Å; Y36-V183 HydrophobicContact CE1-CB 4.19Å; Y36-V183 HydrophobicContact CE1-CG1 4.22Å; I37-V183 HydrophobicContact CD1-CG1 4.2Å; L164-V183 HydrophobicContact CD2-CG1 4.16Å; V165-V183 PolarHBondContact O-N 2.93Å; K166-V183 CarbonylContact C-O 3.57Å; K166-V183 WeakPolarHBondContact CA-O 3.31Å; K166-V183 HydrophobicContact CG-CG2 3.99Å; R167-V183 PolarHBondContact N-O 2.81Å; F181-V183 HydrophobicContact CB-CG1 4.02Å
184P96.5Very high97.2Very high8 Ų827.2 Ų27.25%0.05213%0.128CC..EExtended strand (participates in β ladder)trans-61.4166.7170.7-17.330.1000112.5S11 D12 Y36 K186S11-P184 WeakPolarHBondContact O-CG 3.45Å; D12-P184 WeakPolarHBondContact OD1-CB 3.46Å; D12-P184 WeakPolarHBondContact OD1-CG 3.48Å; Y36-P184 WeakPolarHBondContact OH-CD 3.32Å; Y36-P184 WeakPolarHBondContact OH-CG 3.41Å; P184-K186 HydrophobicContact CB-CG 4.47Å; P184-K186 PolarHBondContact O-N 3.09Å
185D95.3Very high97.2Very high64 Ų6428 Ų2834%0.34213%0.131SC..SBendtrans-76.563.7175.7-159.95.1000112.8K166 T168 R170K166-D185 IonicContact NZ-OD1 3.63Å; K166-D185 PolarHBondContact NZ-OD1 3.03Å; T168-D185 WeakPolarHBondContact CB-OD2 3.38Å; T168-D185 PolarHBondContact OG1-OD2 3.38Å; R170-D185 IonicContact CZ-OD2 3.1Å; R170-D185 IonicContact NE-OD2 2.67Å; R170-D185 PolarHBondContact NE-OD2 2.98Å; R170-D185 VanDerWaalsContact NH2-CG 3.34Å; R170-D185 IonicContact NH2-OD1 3.7Å; R170-D185 PolarHBondContact NH2-OD1 2.78Å; R170-D185 IonicContact NH2-OD2 3.78Å; R170-D185 PolarHBondContact NH2-OD2 2.81Å
186K93.9Very high97.2Very high57 Ų5725.2 Ų25.225%0.24813%0.125CC..  trans-102.6150.3170.4-66.3-180-177.2176.80110E14 Y36 K166 P184 V188 V207E14-K186 PolarHBondContact O-NZ 3.01Å; Y36-K186 HydrophobicContact CE2-CD 4.4Å; K166-K186 WeakPolarHBondContact CE-O 3.29Å; K166-K186 PolarHBondContact NZ-O 2.81Å; P184-K186 HydrophobicContact CB-CG 4.47Å; P184-K186 PolarHBondContact O-N 3.09Å; K186-V188 PolarHBondContact O-N 2.83Å; K186-V207 HydrophobicContact CD-CG2 4.21Å
187F94.8Very high97.1Very high91 Ų9129 Ų2940%0.39914%0.142SC..  trans-81.1115.1172-161.6-78.4000109V189 Y195 I208F187-V189 HydrophobicContact CD1-CG1 4.15Å; F187-V189 HydrophobicContact CE1-CG1 3.79Å; F187-Y195 HydrophobicContact CD1-CD2 4.4Å; F187-Y195 AromaticContact CE1-CD2 3.6Å; F187-Y195 HydrophobicContact CE1-CD2 3.6Å; F187-Y195 HydrophobicContact CE1-CG 4.21Å; F187-Y195 HydrophobicContact CE2-CD2 4.45Å; F187-Y195 AromaticContact CZ-CD2 3.63Å; F187-Y195 HydrophobicContact CZ-CD2 3.63Å; F187-Y195 HydrophobicContact CZ-CE2 4.45Å; F187-I208 HydrophobicContact CB-CG2 4.26Å; F187-I208 HydrophobicContact CD1-CG2 3.66Å; F187-I208 HydrophobicContact CG-CG2 4.33Å
188V97.5Very high97.1Very high10 Ų1031.5 Ų31.56%0.06115%0.148CC..EExtended strand (participates in β ladder)trans-116.5147.7-175.5-65.10000110.8Y36 I136 L164 K186 L193 I205 C206 V207Y36-V188 HydrophobicContact CD1-CG1 4.13Å; I136-V188 HydrophobicContact CD1-CG2 4.28Å; L164-V188 HydrophobicContact CD1-CG2 3.87Å; K186-V188 PolarHBondContact O-N 2.83Å; V188-L193 HydrophobicContact CG2-CD1 4.33Å; V188-I205 HydrophobicContact CB-CG2 3.8Å; V188-I205 HydrophobicContact CG1-CG2 4.28Å; V188-I205 HydrophobicContact CG2-CG2 4.18Å; V188-C206 CarbonylContact C-O 3.53Å; V188-C206 VanDerWaalsContact CA-O 3.23Å; V188-C206 WeakPolarHBondContact CA-O 3.44Å; V188-V207 HydrophobicContact CG1-CG2 4.41Å
189V98.4Very high97.1Very high0 Ų031.3 Ų31.30%015%0.147CC..EExtended strand (participates in β ladder)trans-136165.3-179.4-64.20000110.4L32 F187 F199 I205 C206 I208L32-V189 HydrophobicContact CD2-CG2 3.74Å; F187-V189 HydrophobicContact CD1-CG1 4.15Å; F187-V189 HydrophobicContact CE1-CG1 3.79Å; V189-F199 HydrophobicContact CB-CB 3.69Å; V189-F199 HydrophobicContact CB-CD2 4.26Å; V189-F199 HydrophobicContact CB-CG 4Å; V189-F199 HydrophobicContact CG1-CB 4.36Å; V189-F199 HydrophobicContact CG1-CD2 4.1Å; V189-F199 HydrophobicContact CG1-CG 4.35Å; V189-F199 HydrophobicContact CG2-CB 3.91Å; V189-F199 HydrophobicContact CG2-CD1 4.07Å; V189-F199 HydrophobicContact CG2-CD2 4.31Å; V189-F199 HydrophobicContact CG2-CG 3.85Å; V189-I205 CarbonylContact O-C 3.55Å; V189-I205 WeakPolarHBondContact O-CA 3.5Å; V189-C206 PolarHBondContact N-O 2.92Å; V189-C206 PolarHBondContact O-N 3.31Å; V189-I208 HydrophobicContact CG1-CB 4.37Å; V189-I208 HydrophobicContact CG2-CB 4.29Å
190G98.5Very high97.1Very high0 Ų032.3 Ų32.30%015%0.149CC..BIsolated β-bridgetrans93.7166.5-178.800000113.5A192 L193 F199 L202 H204G190-A192 VanDerWaalsContact C-N 3.29Å; G190-A192 PolarHBondContact O-N 3.13Å; G190-L193 PolarHBondContact N-O 3.04Å; G190-L193 VanDerWaalsContact O-CB 3.22Å; G190-L193 WeakPolarHBondContact O-CB 3.21Å; G190-L193 WeakPolarHBondContact O-CD1 3.27Å; G190-L193 PolarHBondContact O-N 3.4Å; G190-F199 WeakPolarHBondContact CA-O 3.43Å; G190-L202 CarbonylContact C-O 3.54Å; G190-H204 WeakPolarHBondContact CA-O 3.39Å
191Y98.7Very high97.1Very high5 Ų536.3 Ų36.32%0.0217%0.17CC..THydrogen-bonded Turntrans49.453-168-163.4-104.1000111.2H39 I42 K73 F74 D77 L163 L193 L202H39-Y191 AromaticContact CD2-CD2 3.9Å; H39-Y191 AromaticContact CD2-CE2 3.86Å; I42-Y191 HydrophobicContact CD1-CD1 4.34Å; I42-Y191 HydrophobicContact CD1-CD2 4.18Å; I42-Y191 HydrophobicContact CD1-CG 3.96Å; I42-Y191 HydrophobicContact CG2-CD1 4.05Å; I42-Y191 HydrophobicContact CG2-CD2 4.41Å; I42-Y191 HydrophobicContact CG2-CE1 3.56Å; I42-Y191 HydrophobicContact CG2-CE2 3.99Å; I42-Y191 HydrophobicContact CG2-CG 4.42Å; K73-Y191 HydrophobicContact CB-CD1 4.44Å; K73-Y191 HydrophobicContact CB-CE1 4.28Å; K73-Y191 HydrophobicContact CB-CE2 4.37Å; F74-Y191 HydrophobicContact CB-CE1 3.91Å; D77-Y191 WeakPolarHBondContact CB-OH 3.47Å; D77-Y191 VanDerWaalsContact CG-OH 3.27Å; D77-Y191 WeakPolarHBondContact OD2-CE2 3.45Å; D77-Y191 PolarHBondContact OD2-OH 3.15Å; L163-Y191 HydrophobicContact CD2-CD1 3.43Å; L163-Y191 VanDerWaalsContact CD2-CD1 3.43Å; L163-Y191 HydrophobicContact CD2-CE1 3.61Å; Y191-L193 PolarHBondContact O-N 3.43Å; Y191-L202 PolarHBondContact N-O 2.67Å
192A98.1Very high97.1Very high0 Ų036.4 Ų36.40%017%0.171CC..THydrogen-bonded Turntrans69.8-10.7-173.600000117.9G70 Y72 K73 G190 R200G70-A192 WeakPolarHBondContact CA-O 3.23Å; G70-A192 WeakPolarHBondContact O-CB 3.42Å; Y72-A192 HydrophobicContact CD1-CB 3.51Å; Y72-A192 HydrophobicContact CE1-CB 3.23Å; K73-A192 HydrophobicContact CB-CB 3.81Å; K73-A192 HydrophobicContact CG-CB 3.86Å; G190-A192 VanDerWaalsContact C-N 3.29Å; G190-A192 PolarHBondContact O-N 3.13Å; A192-R200 PolarHBondContact N-O 2.8Å; A192-R200 WeakPolarHBondContact O-CG 3.32Å; A192-R200 PolarHBondContact O-NH1 2.79Å
193L97.8Very high97.1Very high8 Ų839.2 Ų39.24%0.04219%0.187CC..BIsolated β-bridgetrans-66.6142.6165.7-63.3148.5000109.6D135 I136 L164 V188 G190 Y191 I205D135-L193 HydrophobicContact CB-CD2 4.03Å; D135-L193 HydrophobicContact CB-CG 4.45Å; D135-L193 VanDerWaalsContact OD2-CD2 3.32Å; D135-L193 WeakPolarHBondContact OD2-CD2 3.48Å; I136-L193 HydrophobicContact CB-CD2 3.94Å; I136-L193 HydrophobicContact CG2-CD2 3.62Å; L164-L193 HydrophobicContact CD1-CD1 3.62Å; V188-L193 HydrophobicContact CG2-CD1 4.33Å; G190-L193 PolarHBondContact N-O 3.04Å; G190-L193 VanDerWaalsContact O-CB 3.22Å; G190-L193 WeakPolarHBondContact O-CB 3.21Å; G190-L193 WeakPolarHBondContact O-CD1 3.27Å; G190-L193 PolarHBondContact O-N 3.4Å; Y191-L193 PolarHBondContact O-N 3.43Å; L193-I205 HydrophobicContact CD1-CD1 4.19Å; L193-I205 HydrophobicContact CD1-CG1 4.15Å; L193-I205 HydrophobicContact CD1-CG2 4.39Å
194D96.8Very high97.1Very high47 Ų4740.1 Ų40.125%0.25119%0.191SC..  trans-128.7165.8-173.477-76.7000115N196 E197 Y198 R200D194-N196 PolarHBondContact OD2-N 2.86Å; D194-E197 WeakPolarHBondContact OD2-CA 3.28Å; D194-E197 PolarHBondContact OD2-N 2.62Å; D194-Y198 VanDerWaalsContact CA-O 3.22Å; D194-Y198 WeakPolarHBondContact CA-O 3.22Å; D194-Y198 WeakPolarHBondContact CB-O 3.04Å; D194-R200 HydrophobicContact CB-CG 3.74Å; D194-R200 VanDerWaalsContact CB-CZ 3.44Å; D194-R200 IonicContact OD1-CZ 2.67Å; D194-R200 IonicContact OD1-NH1 3.3Å; D194-R200 PolarHBondContact OD1-NH1 3.4Å; D194-R200 IonicContact OD1-NH2 2.85Å; D194-R200 PolarHBondContact OD1-NH2 2.89Å; D194-R200 IonicContact OD2-CZ 3.87Å; D194-R200 IonicContact OD2-NH2 3.55Å; D194-R200 PolarHBondContact OD2-NH2 3.44Å
195Y95.6Very high97.2Very high42 Ų4239.7 Ų39.717%0.16519%0.188CC..BIsolated β-bridgetrans-127111157.8-176.9-105.8000107.8F187 E197 Y198 F199 I208 K213 Y216F187-Y195 HydrophobicContact CD1-CD2 4.4Å; F187-Y195 AromaticContact CE1-CD2 3.6Å; F187-Y195 HydrophobicContact CE1-CD2 3.6Å; F187-Y195 HydrophobicContact CE1-CG 4.21Å; F187-Y195 HydrophobicContact CE2-CD2 4.45Å; F187-Y195 AromaticContact CZ-CD2 3.63Å; F187-Y195 HydrophobicContact CZ-CD2 3.63Å; F187-Y195 HydrophobicContact CZ-CE2 4.45Å; Y195-E197 VanDerWaalsContact C-N 3.31Å; Y195-E197 PolarHBondContact O-N 3.02Å; Y195-Y198 PolarHBondContact N-O 3.5Å; Y195-Y198 WeakPolarHBondContact O-CB 3.4Å; Y195-Y198 PolarHBondContact O-N 3.3Å; Y195-F199 HydrophobicContact CD1-CE2 4.45Å; Y195-I208 HydrophobicContact CD1-CD1 3.72Å; Y195-I208 HydrophobicContact CD2-CD1 4.47Å; Y195-I208 HydrophobicContact CE1-CD1 4.34Å; Y195-I208 HydrophobicContact CG-CD1 3.79Å; Y195-K213 WeakPolarHBondContact CE1-O 3.5Å; Y195-K213 PolarHBondContact OH-O 2.99Å; Y195-Y216 WeakPolarHBondContact CE1-O 3.22Å
196N94.6Very high97.4Very high67 Ų6736.7 Ų36.736%0.35817%0.172SC..THydrogen-bonded Turntrans49.947.6-177.6-63-30.2000113.6D194 Y198 Y216 A218D194-N196 PolarHBondContact OD2-N 2.86Å; N196-Y198 WeakPolarHBondContact O-CD2 3.22Å; N196-Y198 WeakPolarHBondContact O-CE2 3.2Å; N196-Y198 PolarHBondContact O-N 2.89Å; N196-Y216 WeakPolarHBondContact CB-O 3.43Å; N196-Y216 PolarHBondContact ND2-O 3.4Å; N196-A218 PolarHBondContact ND2-N 2.69Å
197E95.4Very high97.6Very high92 Ų9234.4 Ų34.443%0.4316%0.163SC..THydrogen-bonded Turntrans72-4.5-178.1-55.9-73.5-177.200116.3K69 D194 Y195 R200K69-E197 IonicContact NZ-OE1 3.4Å; K69-E197 PolarHBondContact NZ-OE1 3.01Å; K69-E197 IonicContact NZ-OE2 3.01Å; K69-E197 PolarHBondContact NZ-OE2 3.4Å; D194-E197 WeakPolarHBondContact OD2-CA 3.28Å; D194-E197 PolarHBondContact OD2-N 2.62Å; Y195-E197 VanDerWaalsContact C-N 3.31Å; Y195-E197 PolarHBondContact O-N 3.02Å; E197-R200 IonicContact OE1-NH2 3.66Å; E197-R200 IonicContact OE2-CZ 2.83Å; E197-R200 IonicContact OE2-NE 3.69Å; E197-R200 PolarHBondContact OE2-NE 2.76Å; E197-R200 VanDerWaalsContact OE2-NE 3.09Å; E197-R200 IonicContact OE2-NH2 3.03Å; E197-R200 PolarHBondContact OE2-NH2 3.1Å
198Y97.5Very high97.7Very high116 Ų11630 Ų3046%0.45514%0.144SC..BIsolated β-bridgetrans-86166.5172.7-61.9-87.2000112D194 Y195 N196 R200 Y216D194-Y198 VanDerWaalsContact CA-O 3.22Å; D194-Y198 WeakPolarHBondContact CA-O 3.22Å; D194-Y198 WeakPolarHBondContact CB-O 3.04Å; Y195-Y198 PolarHBondContact N-O 3.5Å; Y195-Y198 WeakPolarHBondContact O-CB 3.4Å; Y195-Y198 PolarHBondContact O-N 3.3Å; N196-Y198 WeakPolarHBondContact O-CD2 3.22Å; N196-Y198 WeakPolarHBondContact O-CE2 3.2Å; N196-Y198 PolarHBondContact O-N 2.89Å; Y198-R200 VanDerWaalsContact C-N 3.26Å; Y198-R200 PolarHBondContact O-N 2.98Å; Y198-Y216 AromaticContact CD1-CD1 3.72Å; Y198-Y216 HydrophobicContact CD1-CD1 3.72Å; Y198-Y216 AromaticContact CD1-CE1 3.5Å; Y198-Y216 HydrophobicContact CD1-CE1 3.5Å; Y198-Y216 VanDerWaalsContact CD1-CE1 3.5Å; Y198-Y216 AromaticContact CD2-CD1 3.41Å; Y198-Y216 HydrophobicContact CD2-CD1 3.41Å; Y198-Y216 VanDerWaalsContact CD2-CD1 3.41Å; Y198-Y216 HydrophobicContact CD2-CE1 4.11Å; Y198-Y216 AromaticContact CD2-CG 3.9Å; Y198-Y216 HydrophobicContact CD2-CG 3.9Å; Y198-Y216 AromaticContact CE1-CD1 3.85Å; Y198-Y216 HydrophobicContact CE1-CD1 3.85Å; Y198-Y216 AromaticContact CE1-CE1 3.66Å; Y198-Y216 HydrophobicContact CE1-CE1 3.66Å; Y198-Y216 AromaticContact CE2-CD1 3.57Å; Y198-Y216 HydrophobicContact CE2-CD1 3.57Å; Y198-Y216 HydrophobicContact CE2-CE1 4.25Å; Y198-Y216 HydrophobicContact CE2-CG 4.38Å; Y198-Y216 AromaticContact CG-CD1 3.49Å; Y198-Y216 HydrophobicContact CG-CD1 3.49Å; Y198-Y216 VanDerWaalsContact CG-CD1 3.49Å; Y198-Y216 AromaticContact CG-CE1 3.73Å; Y198-Y216 HydrophobicContact CG-CE1 3.73Å; Y198-Y216 HydrophobicContact CG-CG 4.04Å; Y198-Y216 AromaticContact CZ-CD1 3.78Å
199F98.3Very high97.7Very high0 Ų030.2 Ų30.20%015%0.146CC..SBendtrans71.9-1176.1-50.4-82.5000116.3Y28 D31 L32 V189 G190 Y195 D201 L202 I208 Y216Y28-F199 AromaticContact CD1-CD1 3.54Å; Y28-F199 HydrophobicContact CD1-CD1 3.54Å; Y28-F199 AromaticContact CD1-CE1 3.31Å; Y28-F199 HydrophobicContact CD1-CE1 3.31Å; Y28-F199 HydrophobicContact CD1-CZ 4.2Å; Y28-F199 AromaticContact CD2-CD1 3.91Å; Y28-F199 HydrophobicContact CD2-CD1 3.91Å; Y28-F199 HydrophobicContact CD2-CE1 4.42Å; Y28-F199 AromaticContact CE1-CD1 3.58Å; Y28-F199 HydrophobicContact CE1-CD1 3.58Å; Y28-F199 AromaticContact CE1-CE1 3.63Å; Y28-F199 HydrophobicContact CE1-CE1 3.63Å; Y28-F199 HydrophobicContact CE1-CG 4.22Å; Y28-F199 HydrophobicContact CE1-CZ 4.29Å; Y28-F199 AromaticContact CE2-CD1 3.94Å; Y28-F199 HydrophobicContact CE2-CD1 3.94Å; Y28-F199 AromaticContact CG-CD1 3.72Å; Y28-F199 HydrophobicContact CG-CD1 3.72Å; Y28-F199 AromaticContact CG-CE1 3.77Å; Y28-F199 HydrophobicContact CG-CE1 3.77Å; Y28-F199 AromaticContact CZ-CD1 3.8Å; Y28-F199 PolarHBondContact OH-N 3.2Å; D31-F199 HydrophobicContact CB-CE1 3.91Å; D31-F199 HydrophobicContact CB-CZ 3.96Å; L32-F199 HydrophobicContact CD2-CD1 4.04Å; L32-F199 HydrophobicContact CD2-CE1 3.91Å; V189-F199 HydrophobicContact CB-CB 3.69Å; V189-F199 HydrophobicContact CB-CD2 4.26Å; V189-F199 HydrophobicContact CB-CG 4Å; V189-F199 HydrophobicContact CG1-CB 4.36Å; V189-F199 HydrophobicContact CG1-CD2 4.1Å; V189-F199 HydrophobicContact CG1-CG 4.35Å; V189-F199 HydrophobicContact CG2-CB 3.91Å; V189-F199 HydrophobicContact CG2-CD1 4.07Å; V189-F199 HydrophobicContact CG2-CD2 4.31Å; V189-F199 HydrophobicContact CG2-CG 3.85Å; G190-F199 WeakPolarHBondContact CA-O 3.43Å; Y195-F199 HydrophobicContact CD1-CE2 4.45Å; F199-D201 PolarHBondContact O-N 3.42Å; F199-L202 VanDerWaalsContact O-CB 3.3Å; F199-L202 WeakPolarHBondContact O-CB 3.2Å; F199-L202 PolarHBondContact O-N 3.45Å; F199-L202 VanDerWaalsContact O-N 3.1Å; F199-I208 HydrophobicContact CD2-CD1 4.45Å; F199-I208 HydrophobicContact CE2-CD1 3.58Å; F199-I208 HydrophobicContact CE2-CG1 4.33Å; F199-I208 HydrophobicContact CZ-CD1 3.82Å; F199-I208 HydrophobicContact CZ-CG1 4.14Å; F199-Y216 HydrophobicContact CE1-CE2 4.11Å; F199-Y216 AromaticContact CE2-CD2 3.48Å; F199-Y216 HydrophobicContact CE2-CD2 3.48Å; F199-Y216 VanDerWaalsContact CE2-CD2 3.48Å; F199-Y216 AromaticContact CE2-CE2 3.83Å; F199-Y216 HydrophobicContact CE2-CE2 3.83Å; F199-Y216 HydrophobicContact CE2-CG 4.25Å; F199-Y216 AromaticContact CZ-CD2 3.4Å; F199-Y216 HydrophobicContact CZ-CD2 3.4Å; F199-Y216 AromaticContact CZ-CE2 3.34Å; F199-Y216 HydrophobicContact CZ-CE2 3.34Å
200R98.3Very high97.7Very high37 Ų3736.5 Ų36.514%0.1418%0.175CC..THydrogen-bonded Turntrans-61.8-27.5176.5-60.8-165.6-169.3-72.6-2.5113.2A192 D194 E197 Y198 L202A192-R200 PolarHBondContact N-O 2.8Å; A192-R200 WeakPolarHBondContact O-CG 3.32Å; A192-R200 PolarHBondContact O-NH1 2.79Å; D194-R200 HydrophobicContact CB-CG 3.74Å; D194-R200 VanDerWaalsContact CB-CZ 3.44Å; D194-R200 IonicContact OD1-CZ 2.67Å; D194-R200 IonicContact OD1-NH1 3.3Å; D194-R200 PolarHBondContact OD1-NH1 3.4Å; D194-R200 IonicContact OD1-NH2 2.85Å; D194-R200 PolarHBondContact OD1-NH2 2.89Å; D194-R200 IonicContact OD2-CZ 3.87Å; D194-R200 IonicContact OD2-NH2 3.55Å; D194-R200 PolarHBondContact OD2-NH2 3.44Å; E197-R200 IonicContact OE1-NH2 3.66Å; E197-R200 IonicContact OE2-CZ 2.83Å; E197-R200 IonicContact OE2-NE 3.69Å; E197-R200 PolarHBondContact OE2-NE 2.76Å; E197-R200 VanDerWaalsContact OE2-NE 3.09Å; E197-R200 IonicContact OE2-NH2 3.03Å; E197-R200 PolarHBondContact OE2-NH2 3.1Å; Y198-R200 VanDerWaalsContact C-N 3.26Å; Y198-R200 PolarHBondContact O-N 2.98Å; R200-L202 VanDerWaalsContact C-N 3.31Å
201D98.3Very high97.6Very high85 Ų8540.8 Ų40.846%0.45520%0.201SC..THydrogen-bonded Turntrans-82.71.2178.461.9-46.1000114H27 Y28 F199H27-D201 IonicContact CE1-OD2 3.45Å; H27-D201 PolarHBondContact CE1-OD2 3.21Å; H27-D201 IonicContact NE2-OD2 3.02Å; H27-D201 PolarHBondContact NE2-OD2 3.3Å; Y28-D201 VanDerWaalsContact CE2-OD1 3.26Å; Y28-D201 WeakPolarHBondContact CE2-OD1 3.42Å; Y28-D201 PolarHBondContact OH-OD1 3.18Å; F199-D201 PolarHBondContact O-N 3.42Å
202L98.6Very high97.6Very high2 Ų240.6 Ų40.61%0.0120%0.2CC..  trans-84.6130.5172.1178.667.2000110.1I24 P25 L32 G190 Y191 F199 R200 H204 C206I24-L202 HydrophobicContact CD1-CD1 4.45Å; I24-L202 HydrophobicContact CG2-CD1 4.48Å; P25-L202 VanDerWaalsContact CD-CD1 3.44Å; P25-L202 HydrophobicContact CG-CD1 4.03Å; L32-L202 HydrophobicContact CD1-CD1 4.15Å; L32-L202 HydrophobicContact CD1-CD2 3.67Å; L32-L202 HydrophobicContact CD2-CD2 4.08Å; G190-L202 CarbonylContact C-O 3.54Å; Y191-L202 PolarHBondContact N-O 2.67Å; F199-L202 VanDerWaalsContact O-CB 3.3Å; F199-L202 WeakPolarHBondContact O-CB 3.2Å; F199-L202 PolarHBondContact O-N 3.45Å; F199-L202 VanDerWaalsContact O-N 3.1Å; R200-L202 VanDerWaalsContact C-N 3.31Å; L202-H204 WeakPolarHBondContact CD2-O 3.47Å; L202-H204 WeakPolarHBondContact CG-O 3.17Å; L202-C206 HydrophobicContact CD2-CB 3.95Å
203N98.4Very high97.4Very high91 Ų9143.6 Ų43.649%0.48721%0.214SC..SBendtrans-75.9-38.6-178.9-69.2-27.1000113.7H39H39-N203 HydrophobicContact CB-CB 4.09Å
204H98.7Very high97.4Very high20 Ų2049.4 Ų49.49%0.09324%0.24CC..SBendtrans-79.5148.8-179.6-59.2-77.7000110.1F22 V35 H39 G190 L202F22-H204 AromaticContact CD1-CE1 3.51Å; V35-H204 HydrophobicContact CG1-CB 4.06Å; V35-H204 HydrophobicContact CG2-CB 4.45Å; H39-H204 PolarHBondContact N-ND1 3.13Å; G190-H204 WeakPolarHBondContact CA-O 3.39Å; L202-H204 WeakPolarHBondContact CD2-O 3.47Å; L202-H204 WeakPolarHBondContact CG-O 3.17Å
205I98.8Very high97.4Very high0 Ų052.5 Ų52.50%025%0.251CS..EExtended strand (participates in β ladder)trans-83.9120.8163.4-64.5167.5000106.8Y36 I37 I42 L163 L164 V188 V189 L193Y36-I205 WeakPolarHBondContact CA-O 3.42Å; Y36-I205 WeakPolarHBondContact CB-O 3.3Å; Y36-I205 PolarHBondContact N-O 3.31Å; I37-I205 HydrophobicContact CB-CB 4.07Å; I37-I205 HydrophobicContact CB-CD1 4.42Å; I37-I205 HydrophobicContact CD1-CD1 4.22Å; I37-I205 HydrophobicContact CG1-CB 4.39Å; I37-I205 PolarHBondContact N-O 3.45Å; I37-I205 PolarHBondContact O-N 3.31Å; I42-I205 HydrophobicContact CD1-CB 4.46Å; I42-I205 HydrophobicContact CD1-CD1 3.48Å; I42-I205 VanDerWaalsContact CD1-CD1 3.48Å; I42-I205 HydrophobicContact CD1-CG1 3.65Å; I42-I205 HydrophobicContact CG1-CD1 4.17Å; L163-I205 HydrophobicContact CD2-CD1 3.89Å; L164-I205 HydrophobicContact CD1-CD1 4.17Å; L164-I205 HydrophobicContact CD1-CG2 4.44Å; L164-I205 HydrophobicContact CD2-CD1 4.1Å; L164-I205 HydrophobicContact CG-CD1 4.4Å; V188-I205 HydrophobicContact CB-CG2 3.8Å; V188-I205 HydrophobicContact CG1-CG2 4.28Å; V188-I205 HydrophobicContact CG2-CG2 4.18Å; V189-I205 CarbonylContact O-C 3.55Å; V189-I205 WeakPolarHBondContact O-CA 3.5Å; L193-I205 HydrophobicContact CD1-CD1 4.19Å; L193-I205 HydrophobicContact CD1-CG1 4.15Å; L193-I205 HydrophobicContact CD1-CG2 4.39Å
206C98.7Very high97.4Very high0 Ų051.7 Ų51.70%025%0.249CC..EExtended strand (participates in β ladder)trans-124.4158.5-175.6-660000111L32 R34 V188 V189 L202L32-C206 HydrophobicContact CD1-CB 4.15Å; L32-C206 HydrophobicContact CD2-CB 3.84Å; L32-C206 HydrophobicContact CG-CB 4.41Å; R34-C206 VanDerWaalsContact O-CA 3.29Å; R34-C206 WeakPolarHBondContact O-CA 3.17Å; R34-C206 VanDerWaalsContact O-CB 3.31Å; R34-C206 WeakPolarHBondContact O-CB 3.16Å; V188-C206 CarbonylContact C-O 3.53Å; V188-C206 VanDerWaalsContact CA-O 3.23Å; V188-C206 WeakPolarHBondContact CA-O 3.44Å; V189-C206 PolarHBondContact N-O 2.92Å; V189-C206 PolarHBondContact O-N 3.31Å; L202-C206 HydrophobicContact CD2-CB 3.95Å
207V98Very high97.3Very high9 Ų954.9 Ų54.96%0.05526%0.259CS..EExtended strand (participates in β ladder)trans-85.1130.3166.7-177.60000108.2E33 R34 Y36 K186 V188E33-V207 HydrophobicContact CB-CB 4.38Å; E33-V207 HydrophobicContact CB-CG1 4.42Å; E33-V207 PolarHBondContact N-O 3.21Å; E33-V207 WeakPolarHBondContact OE2-CG1 3.44Å; R34-V207 HydrophobicContact CG-CB 4.03Å; R34-V207 HydrophobicContact CG-CG2 4.15Å; R34-V207 PolarHBondContact O-N 3.27Å; Y36-V207 HydrophobicContact CD2-CG2 4.04Å; Y36-V207 HydrophobicContact CG-CG2 4.11Å; K186-V207 HydrophobicContact CD-CG2 4.21Å; V188-V207 HydrophobicContact CG1-CG2 4.41Å
208I97.4Very high96.6Very high0 Ų057.3 Ų57.30%030%0.295CS..EExtended strand (participates in β ladder)trans-74.9134.1176.4-169176.6000110.2F187 V189 Y195 F199 K213F187-I208 HydrophobicContact CB-CG2 4.26Å; F187-I208 HydrophobicContact CD1-CG2 3.66Å; F187-I208 HydrophobicContact CG-CG2 4.33Å; V189-I208 HydrophobicContact CG1-CB 4.37Å; V189-I208 HydrophobicContact CG2-CB 4.29Å; Y195-I208 HydrophobicContact CD1-CD1 3.72Å; Y195-I208 HydrophobicContact CD2-CD1 4.47Å; Y195-I208 HydrophobicContact CE1-CD1 4.34Å; Y195-I208 HydrophobicContact CG-CD1 3.79Å; F199-I208 HydrophobicContact CD2-CD1 4.45Å; F199-I208 HydrophobicContact CE2-CD1 3.58Å; F199-I208 HydrophobicContact CE2-CG1 4.33Å; F199-I208 HydrophobicContact CZ-CD1 3.82Å; F199-I208 HydrophobicContact CZ-CG1 4.14Å; I208-K213 HydrophobicContact CD1-CG 4.04Å; I208-K213 HydrophobicContact CG1-CG 4.19Å; I208-K213 HydrophobicContact CG2-CD 4.32Å; I208-K213 HydrophobicContact CG2-CG 3.77Å
209S97.9Very high96.5Very high14 Ų1454.4 Ų54.410%0.09829%0.287CS..PPolyproline II helixtrans-73.4165.117670.60000112A30 D31 T211 G212 K213A30-S209 PolarHBondContact O-OG 3.42Å; D31-S209 WeakPolarHBondContact CA-OG 3.26Å; D31-S209 WeakPolarHBondContact O-CB 3.48Å; D31-S209 PolarHBondContact O-N 3.28Å; D31-S209 PolarHBondContact O-OG 2.68Å; S209-T211 VanDerWaalsContact C-N 3.28Å; S209-T211 PolarHBondContact O-N 3.46Å; S209-T211 PolarHBondContact OG-N 2.94Å; S209-G212 PolarHBondContact O-N 3.32Å; S209-G212 PolarHBondContact OG-N 3.23Å; S209-K213 WeakPolarHBondContact O-CG 3.39Å; S209-K213 PolarHBondContact O-N 3.18Å
210E97.1Very high96.4Very high132 Ų13257.2 Ų57.262%0.61730%0.302SS*.Hα-helixtrans-61.4-37.3171.6-63.4-53.1127.300112.4G212 K213 E214E210-G212 PolarHBondContact O-N 3.34Å; E210-K213 PolarHBondContact O-N 3.48Å; E210-K213 IonicContact OE1-NZ 3.97Å; E210-K213 PolarHBondContact OE1-NZ 3.46Å; E210-K213 IonicContact OE2-NZ 3.6Å; E210-E214 PolarHBondContact O-N 3.21Å
211T97.4Very high96.3Very high90 Ų9058.3 Ų58.355%0.55231%0.311SS*.Hα-helixtrans-60.3-44.9174-59.10000111.6S209 E214 K215S209-T211 VanDerWaalsContact C-N 3.28Å; S209-T211 PolarHBondContact O-N 3.46Å; S209-T211 PolarHBondContact OG-N 2.94Å; T211-E214 PolarHBondContact O-N 2.94Å; T211-K215 VanDerWaalsContact O-CB 3.28Å; T211-K215 WeakPolarHBondContact O-CB 3.28Å; T211-K215 PolarHBondContact O-N 3.04Å
212G97.1Very high96.2Very high0 Ų056.8 Ų56.80%030%0.302CS..Hα-helixtrans-64.7-42.7176.700000112.6S209 E210 E214 K215 Y216S209-G212 PolarHBondContact O-N 3.32Å; S209-G212 PolarHBondContact OG-N 3.23Å; E210-G212 PolarHBondContact O-N 3.34Å; G212-E214 VanDerWaalsContact C-N 3.35Å; G212-E214 PolarHBondContact O-N 3.24Å; G212-K215 PolarHBondContact O-N 3.17Å; G212-Y216 VanDerWaalsContact O-CD2 3.26Å; G212-Y216 WeakPolarHBondContact O-CD2 3.37Å; G212-Y216 PolarHBondContact O-N 3.39Å; G212-Y216 VanDerWaalsContact O-N 3.17Å
213K95.6Very high96.1Very high64 Ų6460.2 Ų60.228%0.27832%0.32SS..Hα-helixtrans-58.5-46.4176.3-72174.5-169.9168.90111.5Y195 I208 S209 E210 K217Y195-K213 WeakPolarHBondContact CE1-O 3.5Å; Y195-K213 PolarHBondContact OH-O 2.99Å; I208-K213 HydrophobicContact CD1-CG 4.04Å; I208-K213 HydrophobicContact CG1-CG 4.19Å; I208-K213 HydrophobicContact CG2-CD 4.32Å; I208-K213 HydrophobicContact CG2-CG 3.77Å; S209-K213 WeakPolarHBondContact O-CG 3.39Å; S209-K213 PolarHBondContact O-N 3.18Å; E210-K213 PolarHBondContact O-N 3.48Å; E210-K213 IonicContact OE1-NZ 3.97Å; E210-K213 PolarHBondContact OE1-NZ 3.46Å; E210-K213 IonicContact OE2-NZ 3.6Å; K213-K217 WeakPolarHBondContact O-CB 3.44Å; K213-K217 PolarHBondContact O-N 3.2Å
214E97.1Very high95.9Very high130 Ų13058.1 Ų58.161%0.60731%0.309SS*.Hα-helixtrans-68.1-43.5179.8-171.659-154.800111.7E210 T211 G212 Y216 K217E210-E214 PolarHBondContact O-N 3.21Å; T211-E214 PolarHBondContact O-N 2.94Å; G212-E214 VanDerWaalsContact C-N 3.35Å; G212-E214 PolarHBondContact O-N 3.24Å; E214-Y216 VanDerWaalsContact C-N 3.3Å; E214-Y216 PolarHBondContact O-N 3.21Å; E214-K217 WeakPolarHBondContact O-CB 3.5Å; E214-K217 PolarHBondContact O-N 2.76Å
215K97.1Very high95.7Very high111 Ų11160.9 Ų60.948%0.48333%0.325SS..Hα-helixtrans-59-37.4-178.6-179-178178.5-170.20113.8D31 T211 G212D31-K215 VanDerWaalsContact CG-NZ 3.28Å; D31-K215 WeakPolarHBondContact OD1-CD 3.39Å; D31-K215 IonicContact OD1-NZ 2.68Å; D31-K215 PolarHBondContact OD1-NZ 2.9Å; D31-K215 VanDerWaalsContact OD1-NZ 3.1Å; D31-K215 IonicContact OD2-NZ 3.05Å; D31-K215 PolarHBondContact OD2-NZ 3.29Å; T211-K215 VanDerWaalsContact O-CB 3.28Å; T211-K215 WeakPolarHBondContact O-CB 3.28Å; T211-K215 PolarHBondContact O-N 3.04Å; G212-K215 PolarHBondContact O-N 3.17Å
216Y94.7Very high95.5Very high26 Ų2665.5 Ų65.510%0.10235%0.35CS..THydrogen-bonded Turntrans-109.613.3-173.6-62.7-62.9000113.3Y28 D31 Y195 N196 Y198 F199 G212 E214Y28-Y216 HydrophobicContact CD1-CE2 4.46Å; Y28-Y216 HydrophobicContact CE1-CE2 4.33Å; D31-Y216 HydrophobicContact CB-CE2 4.13Å; D31-Y216 WeakPolarHBondContact OD2-CE2 3.5Å; D31-Y216 PolarHBondContact OD2-OH 3.19Å; D31-Y216 VanDerWaalsContact OD2-OH 3.13Å; Y195-Y216 WeakPolarHBondContact CE1-O 3.22Å; N196-Y216 WeakPolarHBondContact CB-O 3.43Å; N196-Y216 PolarHBondContact ND2-O 3.4Å; Y198-Y216 AromaticContact CD1-CD1 3.72Å; Y198-Y216 HydrophobicContact CD1-CD1 3.72Å; Y198-Y216 AromaticContact CD1-CE1 3.5Å; Y198-Y216 HydrophobicContact CD1-CE1 3.5Å; Y198-Y216 VanDerWaalsContact CD1-CE1 3.5Å; Y198-Y216 AromaticContact CD2-CD1 3.41Å; Y198-Y216 HydrophobicContact CD2-CD1 3.41Å; Y198-Y216 VanDerWaalsContact CD2-CD1 3.41Å; Y198-Y216 HydrophobicContact CD2-CE1 4.11Å; Y198-Y216 AromaticContact CD2-CG 3.9Å; Y198-Y216 HydrophobicContact CD2-CG 3.9Å; Y198-Y216 AromaticContact CE1-CD1 3.85Å; Y198-Y216 HydrophobicContact CE1-CD1 3.85Å; Y198-Y216 AromaticContact CE1-CE1 3.66Å; Y198-Y216 HydrophobicContact CE1-CE1 3.66Å; Y198-Y216 AromaticContact CE2-CD1 3.57Å; Y198-Y216 HydrophobicContact CE2-CD1 3.57Å; Y198-Y216 HydrophobicContact CE2-CE1 4.25Å; Y198-Y216 HydrophobicContact CE2-CG 4.38Å; Y198-Y216 AromaticContact CG-CD1 3.49Å; Y198-Y216 HydrophobicContact CG-CD1 3.49Å; Y198-Y216 VanDerWaalsContact CG-CD1 3.49Å; Y198-Y216 AromaticContact CG-CE1 3.73Å; Y198-Y216 HydrophobicContact CG-CE1 3.73Å; Y198-Y216 HydrophobicContact CG-CG 4.04Å; Y198-Y216 AromaticContact CZ-CD1 3.78Å; F199-Y216 HydrophobicContact CE1-CE2 4.11Å; F199-Y216 AromaticContact CE2-CD2 3.48Å; F199-Y216 HydrophobicContact CE2-CD2 3.48Å; F199-Y216 VanDerWaalsContact CE2-CD2 3.48Å; F199-Y216 AromaticContact CE2-CE2 3.83Å; F199-Y216 HydrophobicContact CE2-CE2 3.83Å; F199-Y216 HydrophobicContact CE2-CG 4.25Å; F199-Y216 AromaticContact CZ-CD2 3.4Å; F199-Y216 HydrophobicContact CZ-CD2 3.4Å; F199-Y216 AromaticContact CZ-CE2 3.34Å; F199-Y216 HydrophobicContact CZ-CE2 3.34Å; G212-Y216 VanDerWaalsContact O-CD2 3.26Å; G212-Y216 WeakPolarHBondContact O-CD2 3.37Å; G212-Y216 PolarHBondContact O-N 3.39Å; G212-Y216 VanDerWaalsContact O-N 3.17Å; E214-Y216 VanDerWaalsContact C-N 3.3Å; E214-Y216 PolarHBondContact O-N 3.21Å
217K92.8Very high95.2Very high134 Ų13471 Ų7158%0.58338%0.379SS*.  trans-60.2141.8177.2-170.1174.2175.7-176.30110.6K213 E214K213-K217 WeakPolarHBondContact O-CB 3.44Å; K213-K217 PolarHBondContact O-N 3.2Å; E214-K217 WeakPolarHBondContact O-CB 3.5Å; E214-K217 PolarHBondContact O-N 2.76Å
218A80.2Confident94.9Very high142 Ų14276.6 Ų76.6100%1.17441%0.408SS*.  trans-790178.200000112N196N196-A218 PolarHBondContact ND2-N 2.69Å

Retrieved 218 of 218 residues in 46.9 ms (Link to these results)

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