A0A087XKD8_POEFO Loading...

Non-selective voltage-gated ion channel VDAC1

Catalyzes the scrambling of phospholipids across the outer mitochondrial membrane; the mechanism is unrelated to channel activity and is capable of translocating both anionic and zwitterionic phospholipids.

AlphaFold DB , UniProt , Accession A0A087XKD8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 283 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
1M54.5Low89.3Confident195 Ų19552.8 Ų52.896%0.96132%0.324SS*.  01040-71.6165.9-16500106.5
2A80.6Confident89.9Confident77 Ų7755.7 Ų55.764%0.63633%0.329SS*.  trans-108.3135.6-168.100000109.4P4A2-P4 WeakPolarHBondContact O-CD 3.03Å
3V89Confident90.3Very high68 Ų6854 Ų5441%0.41232%0.322SS..PPolyproline II helixtrans-62121.4169177.30000107.8K119V3-K119 HydrophobicContact CG1-CB 3.65Å; V3-K119 HydrophobicContact CG1-CD 4.33Å; V3-K119 HydrophobicContact CG1-CG 4.03Å
4P93.4Very high90.7Very high7 Ų750.4 Ų50.45%0.04530%0.301CS..PPolyproline II helixtrans-67.6155.2178.826.9-31.5000110.8A2 N124 V143 L150A2-P4 WeakPolarHBondContact O-CD 3.03Å; P4-N124 HydrophobicContact CG-CB 3.95Å; P4-N124 WeakPolarHBondContact O-CB 3.35Å; P4-N124 PolarHBondContact O-ND2 2.78Å; P4-V143 HydrophobicContact CB-CG1 3.88Å; P4-V143 HydrophobicContact CG-CG1 4.45Å; P4-L150 HydrophobicContact CB-CD2 3.74Å
5P94.4Very high91.1Very high33 Ų3355.1 Ų55.121%0.21431%0.311CS..PPolyproline II helixtrans-65166.8174.631.2-36.7000111.2D9 L10 L150P5-D9 HydrophobicContact CB-CB 3.86Å; P5-L10 HydrophobicContact CG-CD2 3.75Å; P5-L150 HydrophobicContact CG-CD1 4.22Å
6T95.7Very high91.4Very high51 Ų5154.1 Ų54.131%0.31331%0.305SS..PPolyproline II helixtrans-65159.716870.30000110.1A8 D9 L10 N124T6-A8 PolarHBondContact O-N 3.24Å; T6-D9 PolarHBondContact O-N 3.4Å; T6-D9 WeakPolarHBondContact OG1-CB 3.42Å; T6-D9 VanDerWaalsContact OG1-CG 3.28Å; T6-D9 PolarHBondContact OG1-N 3Å; T6-D9 PolarHBondContact OG1-OD2 3.12Å; T6-L10 PolarHBondContact O-N 3.37Å; T6-N124 PolarHBondContact N-ND2 2.98Å
7Y96Very high91.8Very high22 Ų2251.1 Ų51.19%0.08629%0.288CS..G310 helixtrans-54.6-42.2176.9-174.9-85.3000111.9D9 L10 V143 Q154 N168 A170Y7-D9 PolarHBondContact O-N 2.77Å; Y7-L10 HydrophobicContact CD2-CD1 4.07Å; Y7-L10 HydrophobicContact CE2-CD1 4.43Å; Y7-L10 HydrophobicContact CG-CD1 4.48Å; Y7-L10 WeakPolarHBondContact O-CB 3.45Å; Y7-L10 PolarHBondContact O-N 2.76Å; Y7-V143 HydrophobicContact CD2-CG2 4.42Å; Y7-Q154 HydrophobicContact CD1-CB 3.55Å; Y7-Q154 HydrophobicContact CD1-CG 4.14Å; Y7-Q154 HydrophobicContact CD2-CB 3.93Å; Y7-Q154 HydrophobicContact CE1-CB 3.53Å; Y7-Q154 HydrophobicContact CE1-CG 4.27Å; Y7-Q154 VanDerWaalsContact CE1-OE1 3.29Å; Y7-Q154 HydrophobicContact CE2-CB 3.91Å; Y7-Q154 HydrophobicContact CG-CB 3.78Å; Y7-N168 HydrophobicContact CE1-CB 4.36Å; Y7-N168 WeakPolarHBondContact OH-CB 3.26Å; Y7-A170 HydrophobicContact CE2-CB 3.72Å
8A94.6Very high92.1Very high57 Ų5749.8 Ų49.847%0.47128%0.279SS..G310 helixtrans-67.1-23179.400000113.8T6 R15T6-A8 PolarHBondContact O-N 3.24Å; A8-R15 PolarHBondContact O-NH1 3.27Å; A8-R15 VanDerWaalsContact O-NH1 3.14Å; A8-R15 PolarHBondContact O-NH2 3.17Å
9D95.3Very high92.3Very high56 Ų5651 Ų5130%0.29929%0.287SS..G310 helixtrans-91.4-2.7177.8-70.4-49.6000112.9P5 T6 Y7 G11 K12P5-D9 HydrophobicContact CB-CB 3.86Å; T6-D9 PolarHBondContact O-N 3.4Å; T6-D9 WeakPolarHBondContact OG1-CB 3.42Å; T6-D9 VanDerWaalsContact OG1-CG 3.28Å; T6-D9 PolarHBondContact OG1-N 3Å; T6-D9 PolarHBondContact OG1-OD2 3.12Å; Y7-D9 PolarHBondContact O-N 2.77Å; D9-G11 PolarHBondContact O-N 3.26Å; D9-K12 HydrophobicContact CB-CD 4.29Å; D9-K12 WeakPolarHBondContact O-CB 3.3Å; D9-K12 PolarHBondContact O-N 3.13Å; D9-K12 VanDerWaalsContact O-N 3.11Å; D9-K12 VanDerWaalsContact OD1-CD 3.3Å; D9-K12 WeakPolarHBondContact OD1-CD 3.31Å; D9-K12 IonicContact OD1-NZ 2.7Å; D9-K12 PolarHBondContact OD1-NZ 3.12Å
10L94.8Very high92.5Very high5 Ų554.2 Ų54.23%0.02630%0.298CS..THydrogen-bonded Turntrans-61.5132.2169.7-66.4172.2000110P5 T6 Y7 K12 R15 V143 L150 A170 H181P5-L10 HydrophobicContact CG-CD2 3.75Å; T6-L10 PolarHBondContact O-N 3.37Å; Y7-L10 HydrophobicContact CD2-CD1 4.07Å; Y7-L10 HydrophobicContact CE2-CD1 4.43Å; Y7-L10 HydrophobicContact CG-CD1 4.48Å; Y7-L10 WeakPolarHBondContact O-CB 3.45Å; Y7-L10 PolarHBondContact O-N 2.76Å; L10-K12 PolarHBondContact O-N 3.43Å; L10-R15 PolarHBondContact O-NH2 2.88Å; L10-V143 HydrophobicContact CD1-CG2 4.17Å; L10-V143 HydrophobicContact CD2-CG1 4.29Å; L10-L150 HydrophobicContact CD2-CB 4.14Å; L10-L150 HydrophobicContact CD2-CD1 3.76Å; L10-A170 HydrophobicContact CD1-CB 3.68Å; L10-H181 VanDerWaalsContact CB-CE1 3.42Å; L10-H181 WeakPolarHBondContact CB-CE1 3.34Å
11G94Very high92.5Very high10 Ų1052.6 Ų52.610%0.10329%0.294CS..THydrogen-bonded Turntrans67.312.3-17500000115.1D9 S13 A14 R15D9-G11 PolarHBondContact O-N 3.26Å; G11-S13 VanDerWaalsContact C-N 3.33Å; G11-S13 PolarHBondContact O-N 3.44Å; G11-A14 PolarHBondContact O-N 3.19Å; G11-R15 PolarHBondContact O-N 2.73Å
12K95.9Very high94.5Very high87 Ų8744.8 Ų44.838%0.37825%0.254SS..Hα-helixtrans-58.4-39.8-177.8-179.6-178.2-163.9160.20113.5D9 L10 A14 R15 D16D9-K12 HydrophobicContact CB-CD 4.29Å; D9-K12 WeakPolarHBondContact O-CB 3.3Å; D9-K12 PolarHBondContact O-N 3.13Å; D9-K12 VanDerWaalsContact O-N 3.11Å; D9-K12 VanDerWaalsContact OD1-CD 3.3Å; D9-K12 WeakPolarHBondContact OD1-CD 3.31Å; D9-K12 IonicContact OD1-NZ 2.7Å; D9-K12 PolarHBondContact OD1-NZ 3.12Å; L10-K12 PolarHBondContact O-N 3.43Å; K12-A14 PolarHBondContact O-N 3.09Å; K12-R15 CarbonylContact O-C 3.53Å; K12-R15 WeakPolarHBondContact O-CB 3.49Å; K12-R15 PolarHBondContact O-N 3.15Å; K12-D16 WeakPolarHBondContact O-CB 3.29Å; K12-D16 PolarHBondContact O-N 2.88Å
13S95.4Very high95.1Very high34 Ų3442.2 Ų42.224%0.23824%0.235CC..Hα-helixtrans-59.9-45.4179-64.40000111.8G11 D16 V17 Q179G11-S13 VanDerWaalsContact C-N 3.33Å; G11-S13 PolarHBondContact O-N 3.44Å; S13-D16 PolarHBondContact O-N 2.91Å; S13-V17 WeakPolarHBondContact O-CG2 3.39Å; S13-V17 PolarHBondContact O-N 2.9Å; S13-Q179 PolarHBondContact OG-NE2 2.88Å; S13-Q179 PolarHBondContact OG-OE1 3.4Å
14A96.3Very high95.4Very high3 Ų341.1 Ų41.13%0.02523%0.225CC..Hα-helixtrans-60.4-49173.500000111G11 K12 D16 V17 F18 A205G11-A14 PolarHBondContact O-N 3.19Å; K12-A14 PolarHBondContact O-N 3.09Å; A14-D16 VanDerWaalsContact C-N 3.28Å; A14-D16 PolarHBondContact O-N 2.94Å; A14-V17 PolarHBondContact O-N 3.26Å; A14-V17 VanDerWaalsContact O-N 3.15Å; A14-F18 WeakPolarHBondContact O-CD2 3.46Å; A14-F18 PolarHBondContact O-N 2.6Å; A14-A205 HydrophobicContact CB-CB 4.03Å
15R96.5Very high95.5Very high121 Ų12140.9 Ų40.946%0.45722%0.224SC..Hα-helixtrans-58.5-39179.7-162.1-172.1-41.5162.412.3112.6A8 L10 G11 K12 F18 T19A8-R15 PolarHBondContact O-NH1 3.27Å; A8-R15 VanDerWaalsContact O-NH1 3.14Å; A8-R15 PolarHBondContact O-NH2 3.17Å; L10-R15 PolarHBondContact O-NH2 2.88Å; G11-R15 PolarHBondContact O-N 2.73Å; K12-R15 CarbonylContact O-C 3.53Å; K12-R15 WeakPolarHBondContact O-CB 3.49Å; K12-R15 PolarHBondContact O-N 3.15Å; R15-F18 PolarHBondContact O-N 2.84Å; R15-F18 VanDerWaalsContact O-N 3.15Å; R15-T19 HydrophobicContact CG-CG2 4.35Å; R15-T19 WeakPolarHBondContact O-CB 3.39Å; R15-T19 VanDerWaalsContact O-CG2 3.3Å; R15-T19 WeakPolarHBondContact O-CG2 3.33Å; R15-T19 PolarHBondContact O-N 3.22Å; R15-T19 PolarHBondContact O-OG1 3.4Å
16D96.6Very high95.5Very high40 Ų4042.1 Ų42.121%0.21423%0.228CC..Hα-helixtrans-63.4-40.5178.5-83.9-7.1000111.2K12 S13 A14 F18 T19 K20K12-D16 WeakPolarHBondContact O-CB 3.29Å; K12-D16 PolarHBondContact O-N 2.88Å; S13-D16 PolarHBondContact O-N 2.91Å; A14-D16 VanDerWaalsContact C-N 3.28Å; A14-D16 PolarHBondContact O-N 2.94Å; D16-F18 VanDerWaalsContact C-N 3.27Å; D16-F18 PolarHBondContact O-N 2.81Å; D16-T19 PolarHBondContact O-N 3.03Å; D16-K20 HydrophobicContact CB-CD 3.96Å; D16-K20 HydrophobicContact CB-CG 4.38Å; D16-K20 VanDerWaalsContact CG-NZ 3.27Å; D16-K20 WeakPolarHBondContact O-CB 3.45Å; D16-K20 PolarHBondContact O-N 3.46Å; D16-K20 WeakPolarHBondContact OD1-CE 3.33Å; D16-K20 IonicContact OD1-NZ 3.58Å; D16-K20 WeakPolarHBondContact OD2-CE 3.42Å; D16-K20 IonicContact OD2-NZ 2.69Å; D16-K20 PolarHBondContact OD2-NZ 2.99Å
17V97.3Very high95.6Very high3 Ų344.5 Ų44.52%0.01824%0.238CC..Hα-helixtrans-62.3-34.5174.1-179.50000111.4S13 A14 Y195 E203 A205 A222 K224S13-V17 WeakPolarHBondContact O-CG2 3.39Å; S13-V17 PolarHBondContact O-N 2.9Å; A14-V17 PolarHBondContact O-N 3.26Å; A14-V17 VanDerWaalsContact O-N 3.15Å; V17-Y195 HydrophobicContact CG2-CD2 4Å; V17-Y195 HydrophobicContact CG2-CE2 3.82Å; V17-E203 HydrophobicContact CG2-CB 4.28Å; V17-A205 HydrophobicContact CB-CB 3.79Å; V17-A205 HydrophobicContact CG1-CB 3.97Å; V17-A205 HydrophobicContact CG2-CB 4.24Å; V17-A222 HydrophobicContact CG1-CB 3.77Å; V17-K224 HydrophobicContact CG1-CB 4.3Å
18F97.1Very high95.6Very high28 Ų2847.3 Ų47.312%0.12325%0.251CS..Hα-helixtrans-79.5-17.7177-82.1-85.1000114.7A14 R15 D16 Y22 A205 N207 G220 A222 K236A14-F18 WeakPolarHBondContact O-CD2 3.46Å; A14-F18 PolarHBondContact O-N 2.6Å; R15-F18 PolarHBondContact O-N 2.84Å; R15-F18 VanDerWaalsContact O-N 3.15Å; D16-F18 VanDerWaalsContact C-N 3.27Å; D16-F18 PolarHBondContact O-N 2.81Å; F18-Y22 WeakPolarHBondContact O-CD2 3.34Å; F18-A205 HydrophobicContact CD2-CB 3.95Å; F18-A205 HydrophobicContact CE2-CB 3.59Å; F18-N207 HydrophobicContact CD2-CB 4.43Å; F18-N207 HydrophobicContact CE2-CB 3.81Å; F18-N207 HydrophobicContact CZ-CB 3.93Å; F18-G220 WeakPolarHBondContact CZ-O 3.15Å; F18-A222 HydrophobicContact CD1-CB 3.65Å; F18-A222 HydrophobicContact CD2-CB 3.94Å; F18-A222 HydrophobicContact CE1-CB 3.53Å; F18-A222 HydrophobicContact CE2-CB 3.83Å; F18-A222 HydrophobicContact CG-CB 3.84Å; F18-A222 HydrophobicContact CZ-CB 3.61Å; F18-K236 HydrophobicContact CD1-CB 4.36Å; F18-K236 HydrophobicContact CD1-CD 4.09Å; F18-K236 HydrophobicContact CE1-CB 4.45Å; F18-K236 PolarHBondContact O-NZ 3.12Å
19T96Very high95.7Very high72 Ų7247.9 Ų47.944%0.44225%0.245SC..Hα-helixtrans-119.8-40.1-167.154.30000113.7R15 D16R15-T19 HydrophobicContact CG-CG2 4.35Å; R15-T19 WeakPolarHBondContact O-CB 3.39Å; R15-T19 VanDerWaalsContact O-CG2 3.3Å; R15-T19 WeakPolarHBondContact O-CG2 3.33Å; R15-T19 PolarHBondContact O-N 3.22Å; R15-T19 PolarHBondContact O-OG1 3.4Å; D16-T19 PolarHBondContact O-N 3.03Å
20K95.7Very high95.7Very high115 Ų11546.1 Ų46.150%0.524%0.236SC..THydrogen-bonded Turntrans-74.5141.1-179.4-66.2-179.1174.8167.90110.9D16 Y22D16-K20 HydrophobicContact CB-CD 3.96Å; D16-K20 HydrophobicContact CB-CG 4.38Å; D16-K20 VanDerWaalsContact CG-NZ 3.27Å; D16-K20 WeakPolarHBondContact O-CB 3.45Å; D16-K20 PolarHBondContact O-N 3.46Å; D16-K20 WeakPolarHBondContact OD1-CE 3.33Å; D16-K20 IonicContact OD1-NZ 3.58Å; D16-K20 WeakPolarHBondContact OD2-CE 3.42Å; D16-K20 IonicContact OD2-NZ 2.69Å; D16-K20 PolarHBondContact OD2-NZ 2.99Å; K20-Y22 VanDerWaalsContact C-N 3.34Å; K20-Y22 WeakPolarHBondContact O-CD2 3.45Å
21G93.1Very high95.8Very high20 Ų2049.3 Ų49.321%0.20625%0.253CS..THydrogen-bonded Turntrans82.89-176.800000114.2
22Y95.8Very high95.8Very high32 Ų3252.4 Ų52.413%0.12526%0.263CS..  trans-123.8134.2176.6-54.4-70.7000111F18 K20 F24 S234 A235 K236F18-Y22 WeakPolarHBondContact O-CD2 3.34Å; K20-Y22 VanDerWaalsContact C-N 3.34Å; K20-Y22 WeakPolarHBondContact O-CD2 3.45Å; Y22-F24 AromaticContact CD1-CE1 3.7Å; Y22-F24 HydrophobicContact CD1-CE1 3.7Å; Y22-F24 HydrophobicContact CD1-CE2 4.17Å; Y22-F24 AromaticContact CD1-CZ 3.29Å; Y22-F24 HydrophobicContact CD1-CZ 3.29Å; Y22-F24 HydrophobicContact CE1-CZ 4.04Å; Y22-F24 HydrophobicContact CG-CE1 4.34Å; Y22-F24 HydrophobicContact CG-CE2 4.2Å; Y22-F24 AromaticContact CG-CZ 3.76Å; Y22-F24 HydrophobicContact CG-CZ 3.76Å; Y22-S234 VanDerWaalsContact OH-CB 3.26Å; Y22-S234 WeakPolarHBondContact OH-CB 3.44Å; Y22-S234 PolarHBondContact OH-O 3.49Å; Y22-A235 WeakPolarHBondContact OH-CA 3.44Å; Y22-A235 PolarHBondContact OH-N 2.98Å; Y22-A235 VanDerWaalsContact OH-N 3.12Å; Y22-A235 PolarHBondContact OH-O 3.07Å; Y22-K236 HydrophobicContact CD2-CD 4.43Å; Y22-K236 HydrophobicContact CE1-CG 4.38Å; Y22-K236 HydrophobicContact CE2-CD 3.94Å; Y22-K236 HydrophobicContact CE2-CG 4.43Å; Y22-K236 PolarHBondContact OH-N 3.43Å
23G93.7Very high95.7Very high23 Ų2351.4 Ų51.424%0.23727%0.265CS..  trans-142.645.517800000111.6G25 L26 S260 G276G23-G25 PolarHBondContact O-N 2.7Å; G23-L26 PolarHBondContact O-N 2.7Å; G23-S260 PolarHBondContact N-OG 3.34Å; G23-G276 WeakPolarHBondContact O-CA 3.4Å
24F95.8Very high95.4Very high44 Ų4456.2 Ų56.219%0.19328%0.281CS..THydrogen-bonded Turntrans-57.6129.9-169.8-52.2-49.5000113.1Y22 L26 A261 L262 K274Y22-F24 AromaticContact CD1-CE1 3.7Å; Y22-F24 HydrophobicContact CD1-CE1 3.7Å; Y22-F24 HydrophobicContact CD1-CE2 4.17Å; Y22-F24 AromaticContact CD1-CZ 3.29Å; Y22-F24 HydrophobicContact CD1-CZ 3.29Å; Y22-F24 HydrophobicContact CE1-CZ 4.04Å; Y22-F24 HydrophobicContact CG-CE1 4.34Å; Y22-F24 HydrophobicContact CG-CE2 4.2Å; Y22-F24 AromaticContact CG-CZ 3.76Å; Y22-F24 HydrophobicContact CG-CZ 3.76Å; F24-L26 PolarHBondContact O-N 3.04Å; F24-A261 VanDerWaalsContact CE1-O 3.25Å; F24-A261 WeakPolarHBondContact CE1-O 3.37Å; F24-L262 HydrophobicContact CB-CB 4.17Å; F24-L262 HydrophobicContact CD1-CB 3.72Å; F24-L262 HydrophobicContact CD2-CB 3.94Å; F24-L262 HydrophobicContact CD2-CD1 4.26Å; F24-L262 HydrophobicContact CD2-CD2 4.14Å; F24-L262 HydrophobicContact CD2-CG 4.35Å; F24-L262 HydrophobicContact CE1-CB 3.99Å; F24-L262 HydrophobicContact CE2-CB 4.18Å; F24-L262 HydrophobicContact CE2-CD1 3.89Å; F24-L262 HydrophobicContact CE2-CG 4.45Å; F24-L262 HydrophobicContact CG-CB 3.69Å; F24-L262 HydrophobicContact CG-CD2 4.49Å; F24-L262 HydrophobicContact CZ-CB 4.21Å; F24-L262 HydrophobicContact CZ-CD1 4.16Å; F24-K274 HydrophobicContact CB-CB 4.08Å
25G95Very high94.9Very high3 Ų358.1 Ų58.13%0.03129%0.294CS..THydrogen-bonded Turntrans72.713.5177.500000114.1G23 T49 L275G23-G25 PolarHBondContact O-N 2.7Å; G25-T49 WeakPolarHBondContact CA-OG1 3.28Å; G25-T49 PolarHBondContact O-N 2.84Å; G25-T49 PolarHBondContact O-OG1 2.87Å; G25-L275 WeakPolarHBondContact CA-O 3.45Å; G25-L275 PolarHBondContact N-O 3.22Å
26L95.8Very high94.3Very high58 Ų5860.9 Ų60.930%0.30432%0.318SS..EExtended strand (participates in β ladder)trans-127.6136.8-177.4-62.9173.2000110.8G23 F24 G47 N48 G276 V277G23-L26 PolarHBondContact O-N 2.7Å; F24-L26 PolarHBondContact O-N 3.04Å; L26-G47 CarbonylContact C-O 3.59Å; L26-G47 WeakPolarHBondContact CA-O 3.26Å; L26-N48 HydrophobicContact CD2-CB 4Å; L26-G276 CarbonylContact O-C 3.46Å; L26-G276 VanDerWaalsContact O-CA 3.25Å; L26-G276 WeakPolarHBondContact O-CA 3.37Å; L26-V277 PolarHBondContact O-N 2.93Å
27I96.1Very high93.5Very high102 Ų10264 Ų6452%0.52334%0.335SS..EExtended strand (participates in β ladder)trans-100.3109.7160.8-59.6173.8000106.2S46 G47 T49 V277I27-S46 CarbonylContact O-C 3.54Å; I27-S46 VanDerWaalsContact O-CA 3.29Å; I27-S46 WeakPolarHBondContact O-CA 3.45Å; I27-G47 PolarHBondContact N-O 2.91Å; I27-G47 PolarHBondContact O-N 2.88Å; I27-T49 HydrophobicContact CD1-CG2 4.15Å; I27-T49 HydrophobicContact CG1-CG2 3.93Å; I27-V277 CarbonylContact C-O 3.53Å; I27-V277 WeakPolarHBondContact CA-O 3.28Å
28K96.3Very high92.7Very high81 Ų8164.7 Ų64.735%0.35234%0.343SS..EExtended strand (participates in β ladder)trans-114.5134-174-164.8-174.4-171.5-1480110.8D30 T44 C45 V277 G278 L279K28-D30 WeakPolarHBondContact CE-OD1 3.44Å; K28-D30 VanDerWaalsContact CE-OD2 3.22Å; K28-D30 WeakPolarHBondContact CE-OD2 3.45Å; K28-D30 IonicContact NZ-OD1 2.71Å; K28-D30 PolarHBondContact NZ-OD1 2.87Å; K28-D30 IonicContact NZ-OD2 2.77Å; K28-D30 PolarHBondContact NZ-OD2 2.82Å; K28-T44 HydrophobicContact CG-CG2 4.46Å; K28-C45 CarbonylContact C-O 3.55Å; K28-C45 WeakPolarHBondContact CA-O 3.34Å; K28-V277 PolarHBondContact N-O 3.38Å; K28-G278 CarbonylContact O-C 3.49Å; K28-G278 WeakPolarHBondContact O-CA 3.44Å; K28-L279 PolarHBondContact O-N 3.05Å
29L96.7Very high92.4Very high68 Ų6865.1 Ų65.136%0.35635%0.346SS..EExtended strand (participates in β ladder)trans-122.3119.2171179.865.6000108.5L31 T44 C45 L279 F281L29-L31 HydrophobicContact CD1-CD2 4.39Å; L29-T44 CarbonylContact O-C 3.54Å; L29-T44 WeakPolarHBondContact O-CA 3.46Å; L29-C45 PolarHBondContact N-O 2.89Å; L29-C45 PolarHBondContact O-N 2.75Å; L29-L279 CarbonylContact C-O 3.55Å; L29-L279 WeakPolarHBondContact CA-O 3.41Å; L29-L279 HydrophobicContact CD1-CB 3.86Å; L29-F281 HydrophobicContact CD1-CD2 3.73Å; L29-F281 HydrophobicContact CD1-CE2 3.45Å; L29-F281 VanDerWaalsContact CD1-CE2 3.45Å
30D95.9Very high92.3Very high19 Ų1963.4 Ų63.410%0.10233%0.333CS..EExtended strand (participates in β ladder)trans-114.3125.4174.8-70.6-39.8000109K28 T44 L279 E280 F281K28-D30 WeakPolarHBondContact CE-OD1 3.44Å; K28-D30 VanDerWaalsContact CE-OD2 3.22Å; K28-D30 WeakPolarHBondContact CE-OD2 3.45Å; K28-D30 IonicContact NZ-OD1 2.71Å; K28-D30 PolarHBondContact NZ-OD1 2.87Å; K28-D30 IonicContact NZ-OD2 2.77Å; K28-D30 PolarHBondContact NZ-OD2 2.82Å; D30-T44 VanDerWaalsContact OD1-CB 3.32Å; D30-T44 WeakPolarHBondContact OD1-CB 3.46Å; D30-T44 WeakPolarHBondContact OD1-CG2 3.4Å; D30-T44 PolarHBondContact OD1-OG1 2.77Å; D30-L279 PolarHBondContact N-O 3.46Å; D30-E280 HydrophobicContact CB-CB 4.35Å; D30-E280 HydrophobicContact CB-CG 4.26Å; D30-E280 CarbonylContact O-C 3.58Å; D30-E280 WeakPolarHBondContact O-CA 3.3Å; D30-F281 PolarHBondContact O-N 3.28Å
31L95.8Very high92.2Very high73 Ų7361.5 Ų61.538%0.38233%0.325SS..EExtended strand (participates in β ladder)trans-116.3117.7173-58.3174.5000108L29 T42 S43 F281L29-L31 HydrophobicContact CD1-CD2 4.39Å; L31-T42 CarbonylContact O-C 3.55Å; L31-T42 WeakPolarHBondContact O-CA 3.48Å; L31-S43 PolarHBondContact N-O 3.41Å; L31-S43 PolarHBondContact O-N 2.81Å; L31-F281 HydrophobicContact CD2-CB 3.63Å; L31-F281 HydrophobicContact CD2-CD2 3.54Å; L31-F281 HydrophobicContact CD2-CE2 4.45Å; L31-F281 HydrophobicContact CD2-CG 3.77Å
32K95.5Very high92.3Very high75 Ų7562.1 Ų62.133%0.32633%0.325SS..EExtended strand (participates in β ladder)trans-117.7122.2177.4-65.7176.1-175.1166.60108.7F41 T42 E280 F281 Q282 A283K32-F41 WeakPolarHBondContact CA-O 3.41Å; K32-T42 HydrophobicContact CG-CG2 4.06Å; K32-E280 WeakPolarHBondContact CE-OE1 3.39Å; K32-E280 IonicContact NZ-OE1 2.74Å; K32-E280 PolarHBondContact NZ-OE1 3.04Å; K32-F281 PolarHBondContact N-O 3.22Å; K32-Q282 WeakPolarHBondContact O-CA 3.27Å; K32-A283 PolarHBondContact O-N 3.23Å
33T92.9Very high92.3Very high66 Ų6662.9 Ų62.941%0.40534%0.335SS..EExtended strand (participates in β ladder)trans-122.6143.417466.60000109.9E40 F41 A283T33-E40 CarbonylContact O-C 3.51Å; T33-E40 VanDerWaalsContact O-CA 3.31Å; T33-E40 WeakPolarHBondContact O-CA 3.35Å; T33-F41 PolarHBondContact N-O 2.77Å; T33-F41 PolarHBondContact O-N 3.44Å; T33-F41 WeakPolarHBondContact OG1-CB 3.48Å; T33-A283 CarbonylContact C-O 3.44Å; T33-A283 VanDerWaalsContact CA-O 3.29Å; T33-A283 WeakPolarHBondContact CA-O 3.05Å; T33-A283 HydrophobicContact CG2-CB 4.43Å
34K90.4Very high92.4Very high135 Ų13563.1 Ų63.159%0.58733%0.331SS*.EExtended strand (participates in β ladder)trans-127.6124172.5-176.3175.1-177.7-172.20109.6E40 A283K34-E40 HydrophobicContact CB-CG 4.23Å; K34-E40 HydrophobicContact CD-CG 4.27Å; K34-E40 HydrophobicContact CG-CG 3.86Å; K34-A283 PolarHBondContact N-O 3.13Å
35S85.5Confident92.4Very high43 Ų4363.6 Ų63.630%0.30134%0.34SS..  trans-98.1157.8173.351.70000112N37 G38 L39S35-N37 WeakPolarHBondContact CB-OD1 3.42Å; S35-N37 PolarHBondContact O-N 3.28Å; S35-N37 PolarHBondContact OG-OD1 3.23Å; S35-G38 PolarHBondContact O-N 2.98Å; S35-G38 VanDerWaalsContact O-N 3.09Å; S35-L39 PolarHBondContact N-O 2.85Å; S35-L39 WeakPolarHBondContact OG-CB 3.31Å; S35-L39 PolarHBondContact OG-O 2.79Å
36D82.3Confident92.4Very high179 Ų17964.9 Ų64.996%0.95735%0.348SS*.THydrogen-bonded Turntrans-62.1-25.6-176.1-61.2-33000113.4G38D36-G38 PolarHBondContact O-N 3.13Å
37N80.8Confident92.3Very high104 Ų10462.9 Ų62.956%0.55634%0.342SS*.THydrogen-bonded Turntrans-77.77.6177.368.2-4.2000114.2S35 L39S35-N37 WeakPolarHBondContact CB-OD1 3.42Å; S35-N37 PolarHBondContact O-N 3.28Å; S35-N37 PolarHBondContact OG-OD1 3.23Å; N37-L39 VanDerWaalsContact OD1-CB 3.31Å; N37-L39 WeakPolarHBondContact OD1-CB 3.37Å; N37-L39 PolarHBondContact OD1-N 3.01Å
38G81.3Confident92.2Very high18 Ų1860.3 Ų60.319%0.18633%0.329CS..SBendtrans83.69.1177.200000115.1S35 D36 K63S35-G38 PolarHBondContact O-N 2.98Å; S35-G38 VanDerWaalsContact O-N 3.09Å; D36-G38 PolarHBondContact O-N 3.13Å; G38-K63 PolarHBondContact O-N 2.74Å
39L90Very high91.9Very high38 Ų3859.9 Ų59.920%0.19933%0.333CS..EExtended strand (participates in β ladder)trans-86129173.1-163.476.9000109.7S35 N37 F41 T60 K61 Y62S35-L39 PolarHBondContact N-O 2.85Å; S35-L39 WeakPolarHBondContact OG-CB 3.31Å; S35-L39 PolarHBondContact OG-O 2.79Å; N37-L39 VanDerWaalsContact OD1-CB 3.31Å; N37-L39 WeakPolarHBondContact OD1-CB 3.37Å; N37-L39 PolarHBondContact OD1-N 3.01Å; L39-F41 HydrophobicContact CD2-CD2 4.31Å; L39-F41 HydrophobicContact CD2-CE1 4.38Å; L39-F41 HydrophobicContact CD2-CE2 3.29Å; L39-F41 HydrophobicContact CD2-CZ 3.34Å; L39-F41 HydrophobicContact CG-CD2 4.46Å; L39-F41 HydrophobicContact CG-CE2 3.85Å; L39-F41 HydrophobicContact CG-CZ 4Å; L39-T60 HydrophobicContact CD1-CG2 3.75Å; L39-T60 HydrophobicContact CG-CG2 4.31Å; L39-K61 CarbonylContact C-O 3.6Å; L39-K61 WeakPolarHBondContact CA-O 3.33Å; L39-Y62 HydrophobicContact CB-CD2 4.41Å; L39-Y62 HydrophobicContact CD1-CD2 3.87Å; L39-Y62 HydrophobicContact CD1-CG 4.36Å
40E93.7Very high91.5Very high35 Ų3562 Ų6216%0.16434%0.342CS..EExtended strand (participates in β ladder)trans-120.1125177.7-71.1170.8-170.700108T33 K34 T60 K61 K63T33-E40 CarbonylContact O-C 3.51Å; T33-E40 VanDerWaalsContact O-CA 3.31Å; T33-E40 WeakPolarHBondContact O-CA 3.35Å; K34-E40 HydrophobicContact CB-CG 4.23Å; K34-E40 HydrophobicContact CD-CG 4.27Å; K34-E40 HydrophobicContact CG-CG 3.86Å; E40-T60 CarbonylContact O-C 3.58Å; E40-T60 WeakPolarHBondContact O-CA 3.5Å; E40-K61 HydrophobicContact CB-CB 4.23Å; E40-K61 PolarHBondContact N-O 3.03Å; E40-K61 PolarHBondContact O-N 2.89Å; E40-K63 VanDerWaalsContact CD-NZ 3.26Å; E40-K63 IonicContact OE1-NZ 2.74Å; E40-K63 PolarHBondContact OE1-NZ 2.69Å; E40-K63 IonicContact OE2-NZ 3.01Å; E40-K63 PolarHBondContact OE2-NZ 2.84Å
41F94.2Very high91.3Very high75 Ų7564.8 Ų64.833%0.32936%0.359SS..EExtended strand (participates in β ladder)trans-106.9137.2170.3-63.3-84.5000109.9K32 T33 L39 E59 T60K32-F41 WeakPolarHBondContact CA-O 3.41Å; T33-F41 PolarHBondContact N-O 2.77Å; T33-F41 PolarHBondContact O-N 3.44Å; T33-F41 WeakPolarHBondContact OG1-CB 3.48Å; L39-F41 HydrophobicContact CD2-CD2 4.31Å; L39-F41 HydrophobicContact CD2-CE1 4.38Å; L39-F41 HydrophobicContact CD2-CE2 3.29Å; L39-F41 HydrophobicContact CD2-CZ 3.34Å; L39-F41 HydrophobicContact CG-CD2 4.46Å; L39-F41 HydrophobicContact CG-CE2 3.85Å; L39-F41 HydrophobicContact CG-CZ 4Å; F41-E59 CarbonylContact C-O 3.57Å; F41-E59 WeakPolarHBondContact CA-O 3.33Å; F41-T60 HydrophobicContact CD1-CG2 3.92Å; F41-T60 WeakPolarHBondContact CD1-OG1 3.47Å; F41-T60 HydrophobicContact CE1-CG2 3.55Å; F41-T60 WeakPolarHBondContact CE1-OG1 3.41Å; F41-T60 HydrophobicContact CZ-CG2 4.23Å
42T95.5Very high91Very high34 Ų3466.3 Ų66.321%0.20938%0.376CS..EExtended strand (participates in β ladder)trans-128.2110.5169.7-60.40000108.7L31 K32 E59L31-T42 CarbonylContact O-C 3.55Å; L31-T42 WeakPolarHBondContact O-CA 3.48Å; K32-T42 HydrophobicContact CG-CG2 4.06Å; T42-E59 PolarHBondContact N-O 2.76Å; T42-E59 PolarHBondContact O-N 2.91Å
43S95.9Very high90.8Very high47 Ų4770.2 Ų70.233%0.32939%0.393SS..EExtended strand (participates in β ladder)trans-105.4120.9173.5-57.50000108.6L31 S57 L58L31-S43 PolarHBondContact N-O 3.41Å; L31-S43 PolarHBondContact O-N 2.81Å; S43-S57 CarbonylContact C-O 3.5Å; S43-S57 WeakPolarHBondContact CA-O 3.36Å; S43-L58 VanDerWaalsContact OG-CD1 3.25Å; S43-L58 WeakPolarHBondContact OG-CD1 3.33Å
44T95.6Very high90.8Very high28 Ų2871.9 Ų71.917%0.17240%0.403CS..EExtended strand (participates in β ladder)trans-117.8135.7177.4-66.40000109.2K28 L29 D30 G56 S57K28-T44 HydrophobicContact CG-CG2 4.46Å; L29-T44 CarbonylContact O-C 3.54Å; L29-T44 WeakPolarHBondContact O-CA 3.46Å; D30-T44 VanDerWaalsContact OD1-CB 3.32Å; D30-T44 WeakPolarHBondContact OD1-CB 3.46Å; D30-T44 WeakPolarHBondContact OD1-CG2 3.4Å; D30-T44 PolarHBondContact OD1-OG1 2.77Å; T44-G56 CarbonylContact O-C 3.49Å; T44-G56 VanDerWaalsContact O-CA 3.27Å; T44-G56 WeakPolarHBondContact O-CA 3.46Å; T44-S57 PolarHBondContact N-O 2.76Å; T44-S57 PolarHBondContact O-N 2.93Å
45C95.2Very high90.9Very high54 Ų5467.6 Ų67.637%0.36539%0.393SS..EExtended strand (participates in β ladder)trans-129.1134.9168.2-175.70000108.7K28 L29 A55K28-C45 CarbonylContact C-O 3.55Å; K28-C45 WeakPolarHBondContact CA-O 3.34Å; L29-C45 PolarHBondContact N-O 2.89Å; L29-C45 PolarHBondContact O-N 2.75Å; C45-A55 CarbonylContact C-O 3.55Å; C45-A55 WeakPolarHBondContact CA-O 3.34Å
46S94.3Very high91.4Very high30 Ų3066.5 Ų66.521%0.2139%0.388CS..EExtended strand (participates in β ladder)trans-135.8125.7175.862.40000111I27 V54 A55I27-S46 CarbonylContact O-C 3.54Å; I27-S46 VanDerWaalsContact O-CA 3.29Å; I27-S46 WeakPolarHBondContact O-CA 3.45Å; S46-V54 WeakPolarHBondContact O-CA 3.48Å; S46-A55 PolarHBondContact N-O 3.35Å; S46-A55 PolarHBondContact O-N 2.91Å
47G94.9Very high92Very high17 Ų1760.5 Ų60.518%0.17536%0.36CS..EExtended strand (participates in β ladder)trans-100.1129168.900000110.5L26 I27 K53L26-G47 CarbonylContact C-O 3.59Å; L26-G47 WeakPolarHBondContact CA-O 3.26Å; I27-G47 PolarHBondContact N-O 2.91Å; I27-G47 PolarHBondContact O-N 2.88Å; G47-K53 WeakPolarHBondContact CA-O 3.4Å
48N93.3Very high92.7Very high47 Ų4758.5 Ų58.525%0.25135%0.349SS..EExtended strand (participates in β ladder)trans-86.5121.7173.7-179.5-61.7000110L26 E50 T51 S52 K53L26-N48 HydrophobicContact CD2-CB 4Å; N48-E50 VanDerWaalsContact C-N 3.27Å; N48-E50 PolarHBondContact O-N 2.97Å; N48-E50 PolarHBondContact OD1-N 2.9Å; N48-T51 WeakPolarHBondContact CB-OG1 3.4Å; N48-T51 PolarHBondContact OD1-N 2.79Å; N48-T51 PolarHBondContact OD1-OG1 2.74Å; N48-S52 VanDerWaalsContact O-CA 3.29Å; N48-S52 WeakPolarHBondContact O-CA 3.5Å; N48-S52 PolarHBondContact O-N 2.81Å; N48-K53 PolarHBondContact N-O 2.81Å
49T89.9Confident93.4Very high72 Ų7259.9 Ų59.944%0.44235%0.351SS..THydrogen-bonded Turntrans-73.9-17.5-172.259.10000113.6G25 I27G25-T49 WeakPolarHBondContact CA-OG1 3.28Å; G25-T49 PolarHBondContact O-N 2.84Å; G25-T49 PolarHBondContact O-OG1 2.87Å; I27-T49 HydrophobicContact CD1-CG2 4.15Å; I27-T49 HydrophobicContact CG1-CG2 3.93Å
50E89.2Confident93.7Very high114 Ų11459.7 Ų59.753%0.53335%0.351SS..THydrogen-bonded Turntrans-91.8-39179.7-66.6175.3173.700111.8N48 K274N48-E50 VanDerWaalsContact C-N 3.27Å; N48-E50 PolarHBondContact O-N 2.97Å; N48-E50 PolarHBondContact OD1-N 2.9Å; E50-K274 VanDerWaalsContact OE1-CD 3.31Å; E50-K274 WeakPolarHBondContact OE1-CD 3.31Å; E50-K274 WeakPolarHBondContact OE1-CE 3.5Å; E50-K274 IonicContact OE1-NZ 3.85Å; E50-K274 PolarHBondContact OE1-NZ 3.36Å; E50-K274 IonicContact OE2-NZ 3.2Å; E50-K274 PolarHBondContact OE2-NZ 2.88Å
51T91.3Very high93.8Very high77 Ų7760.2 Ų60.247%0.47235%0.353SS..THydrogen-bonded Turntrans-101.3-8.7-174.661.10000113.6N48 K53N48-T51 WeakPolarHBondContact CB-OG1 3.4Å; N48-T51 PolarHBondContact OD1-N 2.79Å; N48-T51 PolarHBondContact OD1-OG1 2.74Å; T51-K53 PolarHBondContact O-N 2.77Å; T51-K53 PolarHBondContact OG1-N 3.32Å
52S89.3Confident93.7Very high105 Ų10560.7 Ų60.773%0.73435%0.353SS*.  trans56.414.4-172.5-56.40000114.4N48N48-S52 VanDerWaalsContact O-CA 3.29Å; N48-S52 WeakPolarHBondContact O-CA 3.5Å; N48-S52 PolarHBondContact O-N 2.81Å
53K91.3Very high93.4Very high157 Ų15763.2 Ų63.268%0.68336%0.361SS*.  trans-78.3136.7176-68.7-174.1177.8-175.50110G47 N48 T51G47-K53 WeakPolarHBondContact CA-O 3.4Å; N48-K53 PolarHBondContact N-O 2.81Å; T51-K53 PolarHBondContact O-N 2.77Å; T51-K53 PolarHBondContact OG1-N 3.32Å
54V93.1Very high93Very high100 Ų10066 Ų6661%0.60637%0.365SS*.EExtended strand (participates in β ladder)trans-113.6129.7175.4-1780000108.4S46S46-V54 WeakPolarHBondContact O-CA 3.48Å
55A93.3Very high92.3Very high46 Ų4669.1 Ų69.138%0.3839%0.393SS..EExtended strand (participates in β ladder)trans-122136.9175.500000109.4C45 S46C45-A55 CarbonylContact C-O 3.55Å; C45-A55 WeakPolarHBondContact CA-O 3.34Å; S46-A55 PolarHBondContact N-O 3.35Å; S46-A55 PolarHBondContact O-N 2.91Å
56G95.1Very high91.6Very high19 Ų1975 Ų7520%0.19642%0.415CS..EExtended strand (participates in β ladder)trans-126149.6176.500000111.6T44 N76 T77T44-G56 CarbonylContact O-C 3.49Å; T44-G56 VanDerWaalsContact O-CA 3.27Å; T44-G56 WeakPolarHBondContact O-CA 3.46Å; G56-N76 CarbonylContact O-C 3.54Å; G56-N76 VanDerWaalsContact O-CA 3.28Å; G56-N76 WeakPolarHBondContact O-CA 3.36Å; G56-N76 WeakPolarHBondContact O-CB 3.33Å; G56-T77 PolarHBondContact N-OG1 3.26Å; G56-T77 VanDerWaalsContact N-OG1 3.1Å; G56-T77 PolarHBondContact O-N 3.06Å; G56-T77 PolarHBondContact O-OG1 2.66Å
57S95Very high91Very high54 Ų5480.8 Ų80.838%0.37843%0.432SS..EExtended strand (participates in β ladder)trans-141.8140.6171.863.50000111.2S43 T44 W75S43-S57 CarbonylContact C-O 3.5Å; S43-S57 WeakPolarHBondContact CA-O 3.36Å; T44-S57 PolarHBondContact N-O 2.76Å; T44-S57 PolarHBondContact O-N 2.93Å; S57-W75 CarbonylContact C-O 3.6Å; S57-W75 VanDerWaalsContact CA-O 3.29Å; S57-W75 WeakPolarHBondContact CA-O 3.32Å
58L95.6Very high90.6Very high61 Ų6180.9 Ų80.932%0.31943%0.434SS..EExtended strand (participates in β ladder)trans-115.1125169.9177.865.3000108.3S43 K74 W75S43-L58 VanDerWaalsContact OG-CD1 3.25Å; S43-L58 WeakPolarHBondContact OG-CD1 3.33Å; L58-K74 CarbonylContact O-C 3.53Å; L58-K74 WeakPolarHBondContact O-CA 3.46Å; L58-W75 PolarHBondContact N-O 2.84Å; L58-W75 PolarHBondContact O-N 2.71Å
59E96.4Very high90.5Very high47 Ų4780.4 Ų80.422%0.2243%0.431CS..EExtended strand (participates in β ladder)trans-115.8126.3170.4-179.4176.3131.600108.6F41 T42 K61 T72 E73 K74F41-E59 CarbonylContact C-O 3.57Å; F41-E59 WeakPolarHBondContact CA-O 3.33Å; T42-E59 PolarHBondContact N-O 2.76Å; T42-E59 PolarHBondContact O-N 2.91Å; E59-K61 IonicContact OE1-NZ 2.7Å; E59-K61 PolarHBondContact OE1-NZ 2.94Å; E59-T72 HydrophobicContact CG-CG2 3.53Å; E59-E73 CarbonylContact C-O 3.55Å; E59-E73 WeakPolarHBondContact CA-O 3.33Å; E59-K74 HydrophobicContact CB-CG 4.32Å; E59-K74 HydrophobicContact CG-CG 4.02Å; E59-K74 WeakPolarHBondContact OE2-CE 3.26Å; E59-K74 IonicContact OE2-NZ 2.83Å
60T95.4Very high90.7Very high35 Ų3578.5 Ų78.522%0.21542%0.419CS..EExtended strand (participates in β ladder)trans-112.7123.3171-56.10000108L39 E40 F41 T72 E73L39-T60 HydrophobicContact CD1-CG2 3.75Å; L39-T60 HydrophobicContact CG-CG2 4.31Å; E40-T60 CarbonylContact O-C 3.58Å; E40-T60 WeakPolarHBondContact O-CA 3.5Å; F41-T60 HydrophobicContact CD1-CG2 3.92Å; F41-T60 WeakPolarHBondContact CD1-OG1 3.47Å; F41-T60 HydrophobicContact CE1-CG2 3.55Å; F41-T60 WeakPolarHBondContact CE1-OG1 3.41Å; F41-T60 HydrophobicContact CZ-CG2 4.23Å; T60-T72 CarbonylContact O-C 3.54Å; T60-T72 VanDerWaalsContact O-CA 3.26Å; T60-T72 WeakPolarHBondContact O-CA 3.41Å; T60-E73 PolarHBondContact N-O 2.8Å; T60-E73 PolarHBondContact O-N 2.83Å
61K95.3Very high90.9Very high46 Ų4676.4 Ų76.420%0.241%0.408CS..EExtended strand (participates in β ladder)trans-120.3124.7178.8-180176.1-64.1119.10109.6L39 E40 E59 K63 T70 F71 T72L39-K61 CarbonylContact C-O 3.6Å; L39-K61 WeakPolarHBondContact CA-O 3.33Å; E40-K61 HydrophobicContact CB-CB 4.23Å; E40-K61 PolarHBondContact N-O 3.03Å; E40-K61 PolarHBondContact O-N 2.89Å; E59-K61 IonicContact OE1-NZ 2.7Å; E59-K61 PolarHBondContact OE1-NZ 2.94Å; K61-K63 HydrophobicContact CD-CG 4.49Å; K61-K63 HydrophobicContact CG-CG 4.33Å; K61-T70 HydrophobicContact CD-CG2 3.99Å; K61-T70 HydrophobicContact CG-CG2 3.71Å; K61-F71 CarbonylContact C-O 3.56Å; K61-F71 WeakPolarHBondContact CA-O 3.35Å; K61-T72 HydrophobicContact CB-CG2 4.39Å; K61-T72 WeakPolarHBondContact CE-OG1 3.49Å
62Y93.3Very high91.2Very high84 Ų8472.8 Ų72.833%0.32939%0.386SS..EExtended strand (participates in β ladder)trans-114.9115.7175-177-107.9000109.5L39 W64 T70 F71L39-Y62 HydrophobicContact CB-CD2 4.41Å; L39-Y62 HydrophobicContact CD1-CD2 3.87Å; L39-Y62 HydrophobicContact CD1-CG 4.36Å; Y62-W64 HydrophobicContact CE1-CB 4.17Å; Y62-W64 HydrophobicContact CE1-CD2 4.22Å; Y62-W64 HydrophobicContact CE1-CG 4.11Å; Y62-T70 WeakPolarHBondContact O-CA 3.22Å; Y62-F71 HydrophobicContact CD1-CD2 4.25Å; Y62-F71 PolarHBondContact N-O 3.35Å; Y62-F71 PolarHBondContact O-N 2.75Å
63K89.4Confident91.5Very high88 Ų8871.9 Ų71.938%0.38337%0.371SS..EExtended strand (participates in β ladder)trans-99.3114.9179.5-69.8175.3-173.6156.70110.2G38 E40 K61 A65 T70G38-K63 PolarHBondContact O-N 2.74Å; E40-K63 VanDerWaalsContact CD-NZ 3.26Å; E40-K63 IonicContact OE1-NZ 2.74Å; E40-K63 PolarHBondContact OE1-NZ 2.69Å; E40-K63 IonicContact OE2-NZ 3.01Å; E40-K63 PolarHBondContact OE2-NZ 2.84Å; K61-K63 HydrophobicContact CD-CG 4.49Å; K61-K63 HydrophobicContact CG-CG 4.33Å; K63-A65 PolarHBondContact O-N 2.77Å; K63-T70 HydrophobicContact CG-CG2 3.99Å
64W86.8Confident91.7Very high106 Ų10668.6 Ų68.640%0.40236%0.356SS..EExtended strand (participates in β ladder)trans-99.877.3173.4-143.7-5.2000109.6Y62 E66 R67 G68 L69 F71Y62-W64 HydrophobicContact CE1-CB 4.17Å; Y62-W64 HydrophobicContact CE1-CD2 4.22Å; Y62-W64 HydrophobicContact CE1-CG 4.11Å; W64-E66 VanDerWaalsContact C-N 3.3Å; W64-E66 PolarHBondContact O-N 2.79Å; W64-R67 PolarHBondContact O-N 2.92Å; W64-R67 VanDerWaalsContact O-N 3.12Å; W64-G68 PolarHBondContact O-N 2.7Å; W64-L69 CarbonylContact C-O 3.59Å; W64-L69 WeakPolarHBondContact CA-O 3.34Å; W64-L69 HydrophobicContact CB-CB 4.22Å; W64-L69 PolarHBondContact N-O 2.76Å; W64-L69 PolarHBondContact O-N 2.86Å; W64-F71 HydrophobicContact CE3-CE2 4.17Å
65A80.5Confident91.8Very high92 Ų9270 Ų7076%0.7635%0.351SS*.G310 helixtrans-57.9-37.8-168.900000113.6K63 R67 G68K63-A65 PolarHBondContact O-N 2.77Å; A65-R67 PolarHBondContact O-N 2.79Å; A65-R67 VanDerWaalsContact O-N 3.12Å; A65-G68 PolarHBondContact O-N 2.84Å; A65-G68 VanDerWaalsContact O-N 3.13Å
66E81.9Confident91.8Very high178 Ų17870.1 Ų70.183%0.83235%0.345SS*.G310 helixtrans-58.3-27179.6-64.7-177.4174.900113.6W64W64-E66 VanDerWaalsContact C-N 3.3Å; W64-E66 PolarHBondContact O-N 2.79Å
67R81.7Confident91.7Very high151 Ų15173.1 Ų73.157%0.5736%0.36SS*.G310 helixtrans-112.87.8-179.1-63.6-171.7175.9-151-0.4113.3W64 A65 L69 Q90W64-R67 PolarHBondContact O-N 2.92Å; W64-R67 VanDerWaalsContact O-N 3.12Å; A65-R67 PolarHBondContact O-N 2.79Å; A65-R67 VanDerWaalsContact O-N 3.12Å; R67-L69 HydrophobicContact CB-CD1 4.01Å; R67-L69 HydrophobicContact CB-CG 4.09Å; R67-L69 PolarHBondContact O-N 2.84Å; R67-L69 VanDerWaalsContact O-N 3.13Å; R67-Q90 VanDerWaalsContact O-CG 3.28Å; R67-Q90 WeakPolarHBondContact O-CG 3.2Å; R67-Q90 PolarHBondContact O-NE2 3.27Å; R67-Q90 VanDerWaalsContact O-NE2 3.13Å
68G85.3Confident91.4Very high20 Ų2075.8 Ų75.821%0.20637%0.37CS..THydrogen-bonded Turntrans58.624.6-175.900000113.7W64 A65 V87 E88W64-G68 PolarHBondContact O-N 2.7Å; A65-G68 PolarHBondContact O-N 2.84Å; A65-G68 VanDerWaalsContact O-N 3.13Å; G68-V87 WeakPolarHBondContact O-CA 3.49Å; G68-E88 PolarHBondContact O-N 2.7Å
69L91.3Very high91.1Very high36 Ų3675.9 Ų75.919%0.18837%0.37CS..EExtended strand (participates in β ladder)trans-101.7138.6-177-69.3173.8000110.7W64 R67 F71 T86 V87W64-L69 CarbonylContact C-O 3.59Å; W64-L69 WeakPolarHBondContact CA-O 3.34Å; W64-L69 HydrophobicContact CB-CB 4.22Å; W64-L69 PolarHBondContact N-O 2.76Å; W64-L69 PolarHBondContact O-N 2.86Å; R67-L69 HydrophobicContact CB-CD1 4.01Å; R67-L69 HydrophobicContact CB-CG 4.09Å; R67-L69 PolarHBondContact O-N 2.84Å; R67-L69 VanDerWaalsContact O-N 3.13Å; L69-F71 HydrophobicContact CB-CE2 3.99Å; L69-F71 HydrophobicContact CD1-CE2 4.36Å; L69-F71 HydrophobicContact CD1-CZ 4.35Å; L69-T86 CarbonylContact C-O 3.59Å; L69-T86 WeakPolarHBondContact CA-O 3.3Å; L69-V87 HydrophobicContact CD2-CB 4.04Å; L69-V87 HydrophobicContact CD2-CG1 3.92Å; L69-V87 HydrophobicContact CD2-CG2 3.48Å; L69-V87 VanDerWaalsContact CD2-CG2 3.48Å
70T93.8Very high90.9Very high32 Ų3275.4 Ų75.420%0.19637%0.371CS..EExtended strand (participates in β ladder)trans-131.7125170-59.40000109.4K61 Y62 K63 T86K61-T70 HydrophobicContact CD-CG2 3.99Å; K61-T70 HydrophobicContact CG-CG2 3.71Å; Y62-T70 WeakPolarHBondContact O-CA 3.22Å; K63-T70 HydrophobicContact CG-CG2 3.99Å; T70-T86 PolarHBondContact N-O 2.8Å; T70-T86 PolarHBondContact O-N 2.82Å
71F94.6Very high90.8Very high70 Ų7077.4 Ų77.431%0.30738%0.38SS..EExtended strand (participates in β ladder)trans-104.1130.1173.5-61.4-90.7000108.1K61 Y62 W64 L69 E84 I85K61-F71 CarbonylContact C-O 3.56Å; K61-F71 WeakPolarHBondContact CA-O 3.35Å; Y62-F71 HydrophobicContact CD1-CD2 4.25Å; Y62-F71 PolarHBondContact N-O 3.35Å; Y62-F71 PolarHBondContact O-N 2.75Å; W64-F71 HydrophobicContact CE3-CE2 4.17Å; L69-F71 HydrophobicContact CB-CE2 3.99Å; L69-F71 HydrophobicContact CD1-CE2 4.36Å; L69-F71 HydrophobicContact CD1-CZ 4.35Å; F71-E84 CarbonylContact C-O 3.54Å; F71-E84 WeakPolarHBondContact CA-O 3.43Å; F71-I85 HydrophobicContact CD1-CB 4.5Å; F71-I85 HydrophobicContact CD1-CD1 4.35Å; F71-I85 HydrophobicContact CD1-CG1 3.89Å; F71-I85 HydrophobicContact CD1-CG2 4.16Å; F71-I85 HydrophobicContact CE1-CD1 4.15Å; F71-I85 HydrophobicContact CE1-CG1 4.07Å; F71-I85 HydrophobicContact CE1-CG2 3.81Å; F71-I85 HydrophobicContact CZ-CG2 4.4Å
72T96Very high90.8Very high2 Ų275.7 Ų75.71%0.01238%0.376CS..EExtended strand (participates in β ladder)trans-129.9121.5175.8-52.20000109.4E59 T60 K61 K74 T83 E84E59-T72 HydrophobicContact CG-CG2 3.53Å; T60-T72 CarbonylContact O-C 3.54Å; T60-T72 VanDerWaalsContact O-CA 3.26Å; T60-T72 WeakPolarHBondContact O-CA 3.41Å; K61-T72 HydrophobicContact CB-CG2 4.39Å; K61-T72 WeakPolarHBondContact CE-OG1 3.49Å; T72-K74 HydrophobicContact CG2-CG 4.25Å; T72-T83 CarbonylContact O-C 3.57Å; T72-E84 PolarHBondContact N-O 2.82Å; T72-E84 PolarHBondContact O-N 3.03Å
73E96.5Very high91Very high86 Ų8673.8 Ų73.840%0.40237%0.373SS..EExtended strand (participates in β ladder)trans-106.5133.1172.8-73.7-65161.300109.3E59 T60 G82 T83E59-E73 CarbonylContact C-O 3.55Å; E59-E73 WeakPolarHBondContact CA-O 3.33Å; T60-E73 PolarHBondContact N-O 2.8Å; T60-E73 PolarHBondContact O-N 2.83Å; E73-G82 CarbonylContact C-O 3.49Å; E73-G82 WeakPolarHBondContact CA-O 3.43Å; E73-T83 VanDerWaalsContact CD-OG1 3.24Å; E73-T83 WeakPolarHBondContact OE1-CB 3.28Å; E73-T83 WeakPolarHBondContact OE1-CG2 3.18Å; E73-T83 PolarHBondContact OE1-OG1 2.81Å; E73-T83 PolarHBondContact OE2-OG1 3.41Å
74K95.8Very high91.3Very high88 Ų8871.5 Ų71.538%0.38336%0.363SS..EExtended strand (participates in β ladder)trans-125.1134.3-179.4-64.3178.9-171.6176.20109L58 E59 T72 L81 G82L58-K74 CarbonylContact O-C 3.53Å; L58-K74 WeakPolarHBondContact O-CA 3.46Å; E59-K74 HydrophobicContact CB-CG 4.32Å; E59-K74 HydrophobicContact CG-CG 4.02Å; E59-K74 WeakPolarHBondContact OE2-CE 3.26Å; E59-K74 IonicContact OE2-NZ 2.83Å; T72-K74 HydrophobicContact CG2-CG 4.25Å; K74-L81 CarbonylContact O-C 3.52Å; K74-L81 WeakPolarHBondContact O-CA 3.47Å; K74-G82 PolarHBondContact N-O 2.91Å; K74-G82 PolarHBondContact O-N 2.77Å
75W94.7Very high91.7Very high128 Ų12869 Ų6949%0.48536%0.357SS..EExtended strand (participates in β ladder)trans-135.3140.1172.5-176.247.3000109.7S57 L58 T80 L81S57-W75 CarbonylContact C-O 3.6Å; S57-W75 VanDerWaalsContact CA-O 3.29Å; S57-W75 WeakPolarHBondContact CA-O 3.32Å; L58-W75 PolarHBondContact N-O 2.84Å; L58-W75 PolarHBondContact O-N 2.71Å; W75-T80 WeakPolarHBondContact CA-O 3.34Å; W75-L81 HydrophobicContact CB-CD2 4.07Å; W75-L81 HydrophobicContact CG-CD2 3.87Å
76N93.2Very high92.4Very high49 Ų4965 Ų6526%0.26232%0.323SS..EExtended strand (participates in β ladder)trans-127.8168177.270.815.7000112.2G56 D78 N79 T80G56-N76 CarbonylContact O-C 3.54Å; G56-N76 VanDerWaalsContact O-CA 3.28Å; G56-N76 WeakPolarHBondContact O-CA 3.36Å; G56-N76 WeakPolarHBondContact O-CB 3.33Å; N76-D78 PolarHBondContact O-N 2.8Å; N76-D78 PolarHBondContact OD1-N 2.82Å; N76-N79 WeakPolarHBondContact O-CA 3.45Å; N76-N79 PolarHBondContact O-N 2.8Å; N76-N79 PolarHBondContact OD1-N 2.79Å; N76-T80 PolarHBondContact N-O 3.11Å; N76-T80 WeakPolarHBondContact OD1-CA 3.33Å; N76-T80 WeakPolarHBondContact OD1-CB 3.25Å; N76-T80 PolarHBondContact OD1-N 2.79Å; N76-T80 PolarHBondContact OD1-O 2.8Å
77T92.4Very high93Very high83 Ų8358.7 Ų58.751%0.50930%0.297SS..THydrogen-bonded Turntrans-64.9-16.4-179.2470000114.2G56 N79G56-T77 PolarHBondContact N-OG1 3.26Å; G56-T77 VanDerWaalsContact N-OG1 3.1Å; G56-T77 PolarHBondContact O-N 3.06Å; G56-T77 PolarHBondContact O-OG1 2.66Å; T77-N79 PolarHBondContact O-N 3.27Å
78D88.9Confident93.5Very high109 Ų10954.2 Ų54.258%0.58328%0.282SS*.THydrogen-bonded Turntrans-84.112.1171.9-61.1-32.5000112.3N76 T80 N106N76-D78 PolarHBondContact O-N 2.8Å; N76-D78 PolarHBondContact OD1-N 2.82Å; D78-T80 PolarHBondContact O-N 2.84Å; D78-N106 PolarHBondContact O-ND2 2.8Å
79N90.2Very high93.7Very high63 Ų6356.9 Ų56.934%0.33729%0.292SS..  trans60.516.5-175.7-64.6-41000115N76 T77 L81 P105N76-N79 WeakPolarHBondContact O-CA 3.45Å; N76-N79 PolarHBondContact O-N 2.8Å; N76-N79 PolarHBondContact OD1-N 2.79Å; T77-N79 PolarHBondContact O-N 3.27Å; N79-L81 PolarHBondContact O-N 2.89Å; N79-P105 HydrophobicContact CB-CG 4.46Å; N79-P105 WeakPolarHBondContact O-CD 3.26Å
80T91Very high93.5Very high38 Ų3860.2 Ų60.223%0.23331%0.307CS..  trans-75.7124.2174.5-57.90000109.7W75 N76 D78 F103 S104W75-T80 WeakPolarHBondContact CA-O 3.34Å; N76-T80 PolarHBondContact N-O 3.11Å; N76-T80 WeakPolarHBondContact OD1-CA 3.33Å; N76-T80 WeakPolarHBondContact OD1-CB 3.25Å; N76-T80 PolarHBondContact OD1-N 2.79Å; N76-T80 PolarHBondContact OD1-O 2.8Å; D78-T80 PolarHBondContact O-N 2.84Å; T80-F103 WeakPolarHBondContact CA-O 3.3Å; T80-S104 WeakPolarHBondContact CG2-OG 3.34Å; T80-S104 PolarHBondContact OG1-OG 2.86Å
81L94.6Very high93.1Very high76 Ų7665.1 Ų65.140%0.39833%0.331SS..EExtended strand (participates in β ladder)trans-99.2139.5174.4-65.7167.5000109.2K74 W75 N79 S102 F103K74-L81 CarbonylContact O-C 3.52Å; K74-L81 WeakPolarHBondContact O-CA 3.47Å; W75-L81 HydrophobicContact CB-CD2 4.07Å; W75-L81 HydrophobicContact CG-CD2 3.87Å; N79-L81 PolarHBondContact O-N 2.89Å; L81-S102 CarbonylContact O-C 3.51Å; L81-S102 VanDerWaalsContact O-CA 3.29Å; L81-S102 WeakPolarHBondContact O-CA 3.5Å; L81-F103 PolarHBondContact N-O 2.81Å; L81-F103 PolarHBondContact O-N 2.81Å
82G95.3Very high92.9Very high11 Ų1165.5 Ų65.511%0.11334%0.339CS..EExtended strand (participates in β ladder)trans-138.7122.8177.900000111.3E73 K74 S101E73-G82 CarbonylContact C-O 3.49Å; E73-G82 WeakPolarHBondContact CA-O 3.43Å; K74-G82 PolarHBondContact N-O 2.91Å; K74-G82 PolarHBondContact O-N 2.77Å; G82-S101 CarbonylContact C-O 3.6Å; G82-S101 VanDerWaalsContact CA-O 3.27Å; G82-S101 WeakPolarHBondContact CA-O 3.23Å
83T96.4Very high92.5Very high43 Ų4374.4 Ų74.426%0.26438%0.377SS..EExtended strand (participates in β ladder)trans-111.6121.9176.7-57.70000108.7T72 E73 I85 D100 S101T72-T83 CarbonylContact O-C 3.57Å; E73-T83 VanDerWaalsContact CD-OG1 3.24Å; E73-T83 WeakPolarHBondContact OE1-CB 3.28Å; E73-T83 WeakPolarHBondContact OE1-CG2 3.18Å; E73-T83 PolarHBondContact OE1-OG1 2.81Å; E73-T83 PolarHBondContact OE2-OG1 3.41Å; T83-I85 HydrophobicContact CG2-CG1 4.33Å; T83-D100 CarbonylContact O-C 3.57Å; T83-D100 WeakPolarHBondContact O-CA 3.46Å; T83-S101 PolarHBondContact N-O 2.91Å; T83-S101 PolarHBondContact O-N 3.21Å
84E96.5Very high92.2Very high40 Ų4070.5 Ų70.519%0.18736%0.361CS..EExtended strand (participates in β ladder)trans-119.7124.4175.9-173.5-177.896.900110.1F71 T72 T98 F99 D100 K115F71-E84 CarbonylContact C-O 3.54Å; F71-E84 WeakPolarHBondContact CA-O 3.43Å; T72-E84 PolarHBondContact N-O 2.82Å; T72-E84 PolarHBondContact O-N 3.03Å; E84-T98 HydrophobicContact CG-CG2 3.38Å; E84-F99 CarbonylContact C-O 3.54Å; E84-F99 WeakPolarHBondContact CA-O 3.33Å; E84-D100 HydrophobicContact CG-CB 4.31Å; E84-K115 IonicContact OE2-NZ 3.69Å
85I96.1Very high92.1Very high54 Ų5468.1 Ų68.128%0.27735%0.352SS..EExtended strand (participates in β ladder)trans-115.5118.7175.2-53.1176.4000107.4F71 T83 T98 F99F71-I85 HydrophobicContact CD1-CB 4.5Å; F71-I85 HydrophobicContact CD1-CD1 4.35Å; F71-I85 HydrophobicContact CD1-CG1 3.89Å; F71-I85 HydrophobicContact CD1-CG2 4.16Å; F71-I85 HydrophobicContact CE1-CD1 4.15Å; F71-I85 HydrophobicContact CE1-CG1 4.07Å; F71-I85 HydrophobicContact CE1-CG2 3.81Å; F71-I85 HydrophobicContact CZ-CG2 4.4Å; T83-I85 HydrophobicContact CG2-CG1 4.33Å; I85-T98 CarbonylContact O-C 3.5Å; I85-T98 VanDerWaalsContact O-CA 3.3Å; I85-T98 WeakPolarHBondContact O-CA 3.48Å; I85-F99 PolarHBondContact N-O 3.31Å; I85-F99 PolarHBondContact O-N 3.39Å
86T95.3Very high92.2Very high8 Ų865.7 Ų65.75%0.04935%0.345CS..EExtended strand (participates in β ladder)trans-115.8134.1179.4-68.80000110.4L69 T70 K96 L97 T98L69-T86 CarbonylContact C-O 3.59Å; L69-T86 WeakPolarHBondContact CA-O 3.3Å; T70-T86 PolarHBondContact N-O 2.8Å; T70-T86 PolarHBondContact O-N 2.82Å; T86-K96 HydrophobicContact CG2-CD 4.35Å; T86-K96 VanDerWaalsContact CG2-CE 3.4Å; T86-K96 HydrophobicContact CG2-CG 4.06Å; T86-L97 CarbonylContact C-O 3.52Å; T86-L97 WeakPolarHBondContact CA-O 3.41Å; T86-T98 WeakPolarHBondContact OG1-CG2 3.37Å; T86-T98 PolarHBondContact OG1-OG1 2.8Å
87V94.4Very high92.3Very high45 Ų4566 Ų6627%0.27335%0.346SS..EExtended strand (participates in β ladder)trans-119.7122172.7-164.80000107.9G68 L69 Q90 K96 L97G68-V87 WeakPolarHBondContact O-CA 3.49Å; L69-V87 HydrophobicContact CD2-CB 4.04Å; L69-V87 HydrophobicContact CD2-CG1 3.92Å; L69-V87 HydrophobicContact CD2-CG2 3.48Å; L69-V87 VanDerWaalsContact CD2-CG2 3.48Å; V87-Q90 HydrophobicContact CG1-CB 3.87Å; V87-Q90 HydrophobicContact CG1-CG 3.56Å; V87-K96 CarbonylContact O-C 3.55Å; V87-K96 WeakPolarHBondContact O-CA 3.12Å; V87-L97 PolarHBondContact N-O 3.42Å; V87-L97 PolarHBondContact O-N 2.9Å
88E92.1Very high92.5Very high57 Ų5762.4 Ų62.427%0.26632%0.324SS..EExtended strand (participates in β ladder)trans-124.7139.3179.6-167.6164.1178.400110.8G68 Q90 L95 K96 K119G68-E88 PolarHBondContact O-N 2.7Å; E88-Q90 PolarHBondContact O-N 3.45Å; E88-L95 WeakPolarHBondContact CA-O 3.47Å; E88-K96 HydrophobicContact CB-CG 4.48Å; E88-K96 HydrophobicContact CG-CB 4.25Å; E88-K96 HydrophobicContact CG-CG 4.46Å; E88-K119 IonicContact OE1-NZ 2.75Å; E88-K119 PolarHBondContact OE1-NZ 2.82Å
89D89.4Confident92.8Very high77 Ų7762.2 Ų62.241%0.41232%0.318SS..SBendtrans5916.3172.3-61.6-32.7000116.4G94 L95D89-G94 WeakPolarHBondContact OD1-CA 3.41Å; D89-G94 PolarHBondContact OD1-N 3.11Å; D89-L95 PolarHBondContact N-O 3.4Å
90Q85.8Confident93.1Very high106 Ų10660.4 Ų60.450%0.49531%0.309SS..SBendtrans-82.5-42.9-178.3-69.8-60.2-58.300114.2R67 V87 E88R67-Q90 VanDerWaalsContact O-CG 3.28Å; R67-Q90 WeakPolarHBondContact O-CG 3.2Å; R67-Q90 PolarHBondContact O-NE2 3.27Å; R67-Q90 VanDerWaalsContact O-NE2 3.13Å; V87-Q90 HydrophobicContact CG1-CB 3.87Å; V87-Q90 HydrophobicContact CG1-CG 3.56Å; E88-Q90 PolarHBondContact O-N 3.45Å
91L84.8Confident93.2Very high135 Ų13560.8 Ų60.871%0.70731%0.313SS*.SBendtrans-89.7-48.3-178.7-64.1173.1000111.4L95 L97L91-L95 HydrophobicContact CB-CD2 4.03Å; L91-L95 HydrophobicContact CD1-CD2 4.11Å; L91-L97 HydrophobicContact CD1-CD1 4.24Å
92V90.5Very high93.2Very high78 Ų7859.3 Ų59.347%0.47331%0.309SS..SBendtrans-143138.8178.7-178.50000107.6G94 L95 Y118V92-G94 PolarHBondContact O-N 3.34Å; V92-L95 HydrophobicContact CB-CB 4.36Å; V92-L95 VanDerWaalsContact O-CB 3.26Å; V92-L95 WeakPolarHBondContact O-CB 3.3Å; V92-L95 PolarHBondContact O-N 2.77Å; V92-Y118 HydrophobicContact CG1-CE2 4.06Å
93K89.3Confident93Very high188 Ų18862.4 Ų62.482%0.81732%0.319SS*.THydrogen-bonded Turntrans-58.2129.8174.6-175.8178.6179.9-177.10110.1
94G89.7Confident92.8Very high5 Ų561.4 Ų61.45%0.05231%0.314CS..THydrogen-bonded Turntrans89.9-7.5-176.300000114.7D89 V92 Y118 K119D89-G94 WeakPolarHBondContact OD1-CA 3.41Å; D89-G94 PolarHBondContact OD1-N 3.11Å; V92-G94 PolarHBondContact O-N 3.34Å; G94-Y118 WeakPolarHBondContact O-CA 3.37Å; G94-K119 WeakPolarHBondContact CA-O 3.26Å; G94-K119 PolarHBondContact O-N 3.19Å
95L94.3Very high92.4Very high37 Ų3762.4 Ų62.419%0.19432%0.324CS..EExtended strand (participates in β ladder)trans-83.4132174.8-174.170.1000110.7E88 D89 L91 V92 L97 A117 Y118E88-L95 WeakPolarHBondContact CA-O 3.47Å; D89-L95 PolarHBondContact N-O 3.4Å; L91-L95 HydrophobicContact CB-CD2 4.03Å; L91-L95 HydrophobicContact CD1-CD2 4.11Å; V92-L95 HydrophobicContact CB-CB 4.36Å; V92-L95 VanDerWaalsContact O-CB 3.26Å; V92-L95 WeakPolarHBondContact O-CB 3.3Å; V92-L95 PolarHBondContact O-N 2.77Å; L95-L97 HydrophobicContact CD1-CD2 4.26Å; L95-L97 HydrophobicContact CD2-CD1 4.35Å; L95-L97 HydrophobicContact CD2-CD2 4.43Å; L95-L97 HydrophobicContact CD2-CG 4.28Å; L95-L97 HydrophobicContact CG-CD2 4.35Å; L95-L97 HydrophobicContact CG-CG 4.3Å; L95-A117 CarbonylContact C-O 3.49Å; L95-A117 WeakPolarHBondContact CA-O 3.35Å; L95-Y118 HydrophobicContact CB-CD2 4.28Å; L95-Y118 HydrophobicContact CD1-CD2 4.4Å
96K95.4Very high92Very high77 Ų7765.2 Ų65.234%0.33534%0.339SS..EExtended strand (participates in β ladder)trans-128.4124.8172.5-178.4176.6-177.91650109.6T86 V87 E88 A117T86-K96 HydrophobicContact CG2-CD 4.35Å; T86-K96 VanDerWaalsContact CG2-CE 3.4Å; T86-K96 HydrophobicContact CG2-CG 4.06Å; V87-K96 CarbonylContact O-C 3.55Å; V87-K96 WeakPolarHBondContact O-CA 3.12Å; E88-K96 HydrophobicContact CB-CG 4.48Å; E88-K96 HydrophobicContact CG-CB 4.25Å; E88-K96 HydrophobicContact CG-CG 4.46Å; K96-A117 HydrophobicContact CB-CB 4.35Å; K96-A117 PolarHBondContact N-O 3.28Å; K96-A117 PolarHBondContact O-N 2.77Å
97L96.1Very high91.6Very high56 Ų5669.9 Ų69.929%0.29337%0.368SS..EExtended strand (participates in β ladder)trans-115.1129.2175.2-58.8176.4000108.2T86 V87 L91 L95 T116T86-L97 CarbonylContact C-O 3.52Å; T86-L97 WeakPolarHBondContact CA-O 3.41Å; V87-L97 PolarHBondContact N-O 3.42Å; V87-L97 PolarHBondContact O-N 2.9Å; L91-L97 HydrophobicContact CD1-CD1 4.24Å; L95-L97 HydrophobicContact CD1-CD2 4.26Å; L95-L97 HydrophobicContact CD2-CD1 4.35Å; L95-L97 HydrophobicContact CD2-CD2 4.43Å; L95-L97 HydrophobicContact CD2-CG 4.28Å; L95-L97 HydrophobicContact CG-CD2 4.35Å; L95-L97 HydrophobicContact CG-CG 4.3Å; L97-T116 HydrophobicContact CD2-CG2 3.54Å
98T96.1Very high91.2Very high8 Ų869.8 Ų69.85%0.04938%0.376CS..EExtended strand (participates in β ladder)trans-129.7121.7177.4-61.30000109.7E84 I85 T86 K115E84-T98 HydrophobicContact CG-CG2 3.38Å; I85-T98 CarbonylContact O-C 3.5Å; I85-T98 VanDerWaalsContact O-CA 3.3Å; I85-T98 WeakPolarHBondContact O-CA 3.48Å; T86-T98 WeakPolarHBondContact OG1-CG2 3.37Å; T86-T98 PolarHBondContact OG1-OG1 2.8Å; T98-K115 PolarHBondContact N-O 2.77Å; T98-K115 PolarHBondContact O-N 3.15Å
99F96.2Very high91Very high104 Ų10471.4 Ų71.446%0.45638%0.383SS..EExtended strand (participates in β ladder)trans-99.3122.3168178.2-100.3000108.5E84 I85E84-F99 CarbonylContact C-O 3.54Å; E84-F99 WeakPolarHBondContact CA-O 3.33Å; I85-F99 PolarHBondContact N-O 3.31Å; I85-F99 PolarHBondContact O-N 3.39Å
100D95.1Very high91Very high26 Ų2674.3 Ų74.314%0.13939%0.391CS..EExtended strand (participates in β ladder)trans-127.4120.4-175.61715.1000108.1T83 E84 G112 K113 K115T83-D100 CarbonylContact O-C 3.57Å; T83-D100 WeakPolarHBondContact O-CA 3.46Å; E84-D100 HydrophobicContact CG-CB 4.31Å; D100-G112 CarbonylContact O-C 3.53Å; D100-G112 WeakPolarHBondContact O-CA 3.35Å; D100-K113 HydrophobicContact CB-CB 4.12Å; D100-K113 PolarHBondContact N-O 2.8Å; D100-K113 PolarHBondContact O-N 2.8Å; D100-K115 IonicContact OD2-NZ 3.82Å; D100-K115 PolarHBondContact OD2-NZ 2.9Å
101S94.6Very high91.3Very high46 Ų4669.9 Ų69.932%0.32238%0.375SS..EExtended strand (participates in β ladder)trans-121.4134.3-178173.60000108.9G82 T83G82-S101 CarbonylContact C-O 3.6Å; G82-S101 VanDerWaalsContact CA-O 3.27Å; G82-S101 WeakPolarHBondContact CA-O 3.23Å; T83-S101 PolarHBondContact N-O 2.91Å; T83-S101 PolarHBondContact O-N 3.21Å
102S93.3Very high91.7Very high44 Ų4464.3 Ų64.331%0.30835%0.349SS..EExtended strand (participates in β ladder)trans-127.3144.6176.3690000112.1L81 K110 G111L81-S102 CarbonylContact O-C 3.51Å; L81-S102 VanDerWaalsContact O-CA 3.29Å; L81-S102 WeakPolarHBondContact O-CA 3.5Å; S102-K110 WeakPolarHBondContact O-CA 3.31Å; S102-G111 PolarHBondContact N-O 2.86Å; S102-G111 PolarHBondContact O-N 2.84Å
103F91.6Very high92Very high76 Ų7664.6 Ų64.633%0.33334%0.344SS..EExtended strand (participates in β ladder)trans-141.1126.1178.4177.9-122.8000110.8T80 L81 P105 K110T80-F103 WeakPolarHBondContact CA-O 3.3Å; L81-F103 PolarHBondContact N-O 2.81Å; L81-F103 PolarHBondContact O-N 2.81Å; F103-P105 HydrophobicContact CD1-CG 3.99Å; F103-P105 HydrophobicContact CE1-CB 4.07Å; F103-P105 HydrophobicContact CE1-CG 3.68Å; F103-P105 HydrophobicContact CZ-CB 4.33Å; F103-P105 HydrophobicContact CZ-CG 4.37Å; F103-K110 HydrophobicContact CD2-CD 4.46Å; F103-K110 HydrophobicContact CD2-CG 3.63Å; F103-K110 HydrophobicContact CE2-CG 4.15Å
104S91.6Very high92.3Very high23 Ų2359.7 Ų59.716%0.16133%0.326CS..EExtended strand (participates in β ladder)trans-111.6101174.3-61.40000109.2T80 N106 T107 G108 K109T80-S104 WeakPolarHBondContact CG2-OG 3.34Å; T80-S104 PolarHBondContact OG1-OG 2.86Å; S104-N106 VanDerWaalsContact C-N 3.28Å; S104-N106 PolarHBondContact O-N 3.12Å; S104-T107 WeakPolarHBondContact CB-OG1 3.34Å; S104-T107 PolarHBondContact O-N 2.86Å; S104-T107 PolarHBondContact O-OG1 2.79Å; S104-G108 WeakPolarHBondContact O-CA 3.32Å; S104-G108 PolarHBondContact O-N 3.32Å; S104-K109 PolarHBondContact N-O 3.41Å; S104-K109 PolarHBondContact O-N 2.83Å
105P88.7Confident92.6Very high61 Ų6161.8 Ų61.840%0.39633%0.334SS..THydrogen-bonded Turntrans-57.7-39.3-177.9-22.432000113N79 F103 T107 G108N79-P105 HydrophobicContact CB-CG 4.46Å; N79-P105 WeakPolarHBondContact O-CD 3.26Å; F103-P105 HydrophobicContact CD1-CG 3.99Å; F103-P105 HydrophobicContact CE1-CB 4.07Å; F103-P105 HydrophobicContact CE1-CG 3.68Å; F103-P105 HydrophobicContact CZ-CB 4.33Å; F103-P105 HydrophobicContact CZ-CG 4.37Å; P105-T107 PolarHBondContact O-N 3.21Å; P105-G108 PolarHBondContact O-N 2.79Å
106N87.3Confident92.7Very high112 Ų11262.2 Ų62.260%0.59934%0.339SS*.THydrogen-bonded Turntrans-60.5-30.7-177.2-65.9-18.2000113.2D78 S104D78-N106 PolarHBondContact O-ND2 2.8Å; S104-N106 VanDerWaalsContact C-N 3.28Å; S104-N106 PolarHBondContact O-N 3.12Å
107T87.1Confident92.8Very high106 Ų10660 Ų6065%0.6533%0.334SS*.THydrogen-bonded Turntrans-112.9-7.8-178.460.10000112.9S104 P105 K109S104-T107 WeakPolarHBondContact CB-OG1 3.34Å; S104-T107 PolarHBondContact O-N 2.86Å; S104-T107 PolarHBondContact O-OG1 2.79Å; P105-T107 PolarHBondContact O-N 3.21Å; T107-K109 PolarHBondContact O-N 2.78Å; T107-K109 VanDerWaalsContact OG1-CB 3.31Å; T107-K109 WeakPolarHBondContact OG1-CB 3.47Å; T107-K109 PolarHBondContact OG1-N 2.78Å
108G85.9Confident92.8Very high43 Ų4361.4 Ų61.444%0.44334%0.337SS..THydrogen-bonded Turntrans67.13.8-169.500000114.4S104 P105 K110S104-G108 WeakPolarHBondContact O-CA 3.32Å; S104-G108 PolarHBondContact O-N 3.32Å; P105-G108 PolarHBondContact O-N 2.79Å; G108-K110 PolarHBondContact O-N 2.82Å
109K87.8Confident92.7Very high92 Ų9264.6 Ų64.640%0.435%0.35SS..EExtended strand (participates in β ladder)trans-67.3131.2-175.7-171.7175.6-176.9172.90110.4S104 T107 D132S104-K109 PolarHBondContact N-O 3.41Å; S104-K109 PolarHBondContact O-N 2.83Å; T107-K109 PolarHBondContact O-N 2.78Å; T107-K109 VanDerWaalsContact OG1-CB 3.31Å; T107-K109 WeakPolarHBondContact OG1-CB 3.47Å; T107-K109 PolarHBondContact OG1-N 2.78Å; K109-D132 WeakPolarHBondContact CE-OD1 3.27Å; K109-D132 WeakPolarHBondContact CE-OD2 3.46Å; K109-D132 IonicContact NZ-OD1 3.99Å; K109-D132 IonicContact NZ-OD2 3.23Å; K109-D132 PolarHBondContact NZ-OD2 2.81Å
110K90.2Very high92.5Very high137 Ų13761.4 Ų61.460%0.59634%0.34SS*.EExtended strand (participates in β ladder)trans-119.5134174.2-68.5174.7-176.3-177.70109S102 F103 G108S102-K110 WeakPolarHBondContact O-CA 3.31Å; F103-K110 HydrophobicContact CD2-CD 4.46Å; F103-K110 HydrophobicContact CD2-CG 3.63Å; F103-K110 HydrophobicContact CE2-CG 4.15Å; G108-K110 PolarHBondContact O-N 2.82Å
111G91.2Very high92.4Very high14 Ų1464.9 Ų64.914%0.14436%0.359CS..EExtended strand (participates in β ladder)trans-126.5146.8173.600000110.3S102 Y131S102-G111 PolarHBondContact N-O 2.86Å; S102-G111 PolarHBondContact O-N 2.84Å; G111-Y131 WeakPolarHBondContact CA-O 3.29Å
112G94.4Very high92.4Very high17 Ų1765.8 Ų65.818%0.17536%0.357CS..EExtended strand (participates in β ladder)trans-133.1142171.300000109.4D100 Y131D100-G112 CarbonylContact O-C 3.53Å; D100-G112 WeakPolarHBondContact O-CA 3.35Å; G112-Y131 PolarHBondContact N-O 2.81Å; G112-Y131 WeakPolarHBondContact O-CA 3.31Å; G112-Y131 PolarHBondContact O-N 2.79Å
113K95.6Very high92.5Very high84 Ų8466.7 Ų66.737%0.36536%0.358SS..EExtended strand (participates in β ladder)trans-135.3128.5174.5-53.2-177.1176.3173.10108.7D100 V129 N130D100-K113 HydrophobicContact CB-CB 4.12Å; D100-K113 PolarHBondContact N-O 2.8Å; D100-K113 PolarHBondContact O-N 2.8Å; K113-V129 CarbonylContact C-O 3.56Å; K113-V129 VanDerWaalsContact CA-O 3.29Å; K113-V129 WeakPolarHBondContact CA-O 3.33Å; K113-N130 WeakPolarHBondContact CB-OD1 3.41Å; K113-N130 VanDerWaalsContact CD-OD1 3.29Å; K113-N130 WeakPolarHBondContact CD-OD1 3.36Å; K113-N130 HydrophobicContact CG-CB 4.44Å; K113-N130 WeakPolarHBondContact CG-OD1 3.39Å
114L96.3Very high92.7Very high85 Ų8563.8 Ų63.845%0.44535%0.346SS..EExtended strand (participates in β ladder)trans-110.1110.6169.6-179.665.7000107.8T116 D128 V129L114-T116 HydrophobicContact CG-CG2 4.48Å; L114-D128 CarbonylContact O-C 3.53Å; L114-D128 WeakPolarHBondContact O-CA 3.32Å; L114-V129 HydrophobicContact CB-CB 4.45Å; L114-V129 PolarHBondContact N-O 3.2Å; L114-V129 PolarHBondContact O-N 2.77Å
115K96.6Very high93Very high49 Ų4966.3 Ų66.321%0.21336%0.357CS..EExtended strand (participates in β ladder)trans-105.6130.6-179.9-49.6178.2-169.6140.80108.9E84 T98 D100 D128E84-K115 IonicContact OE2-NZ 3.69Å; T98-K115 PolarHBondContact N-O 2.77Å; T98-K115 PolarHBondContact O-N 3.15Å; D100-K115 IonicContact OD2-NZ 3.82Å; D100-K115 PolarHBondContact OD2-NZ 2.9Å; K115-D128 WeakPolarHBondContact CA-OD1 3.4Å; K115-D128 WeakPolarHBondContact CB-OD1 3.37Å; K115-D128 HydrophobicContact CG-CB 4.18Å; K115-D128 WeakPolarHBondContact CG-OD1 3.06Å
116T96.3Very high93.4Very high47 Ų4764.4 Ų64.429%0.28835%0.349SS..EExtended strand (participates in β ladder)trans-126.4123.817761.50000107.7L97 L114 G126 C127L97-T116 HydrophobicContact CD2-CG2 3.54Å; L114-T116 HydrophobicContact CG-CG2 4.48Å; T116-G126 CarbonylContact O-C 3.54Å; T116-G126 VanDerWaalsContact O-CA 3.32Å; T116-G126 WeakPolarHBondContact O-CA 3.33Å; T116-C127 PolarHBondContact N-O 2.77Å; T116-C127 PolarHBondContact O-N 2.82Å; T116-C127 WeakPolarHBondContact OG1-CB 3.11Å; T116-C127 PolarHBondContact OG1-O 2.82Å
117A96.2Very high93.8Very high30 Ų3061.3 Ų61.325%0.24834%0.336CS..EExtended strand (participates in β ladder)trans-128.8135.5177.700000109.1L95 K96 L125L95-A117 CarbonylContact C-O 3.49Å; L95-A117 WeakPolarHBondContact CA-O 3.35Å; K96-A117 HydrophobicContact CB-CB 4.35Å; K96-A117 PolarHBondContact N-O 3.28Å; K96-A117 PolarHBondContact O-N 2.77Å; A117-L125 CarbonylContact C-O 3.53Å; A117-L125 VanDerWaalsContact CA-O 3.23Å; A117-L125 WeakPolarHBondContact CA-O 3.41Å
118Y96.3Very high94.3Very high86 Ų8658.8 Ų58.834%0.33732%0.318SS..EExtended strand (participates in β ladder)trans-130122.9176.5177.2-108.4000109.3V92 G94 L95 C120 L125V92-Y118 HydrophobicContact CG1-CE2 4.06Å; G94-Y118 WeakPolarHBondContact O-CA 3.37Å; L95-Y118 HydrophobicContact CB-CD2 4.28Å; L95-Y118 HydrophobicContact CD1-CD2 4.4Å; Y118-C120 HydrophobicContact CE1-CB 4.07Å; Y118-L125 PolarHBondContact N-O 2.73Å; Y118-L125 PolarHBondContact O-N 2.81Å
119K94.6Very high94.7Very high74 Ų7459.2 Ų59.232%0.32231%0.312SS..EExtended strand (participates in β ladder)trans-120.7131-179.475.3-164.8166.3-169.70109.9V3 E88 G94V3-K119 HydrophobicContact CG1-CB 3.65Å; V3-K119 HydrophobicContact CG1-CD 4.33Å; V3-K119 HydrophobicContact CG1-CG 4.03Å; E88-K119 IonicContact OE1-NZ 2.75Å; E88-K119 PolarHBondContact OE1-NZ 2.82Å; G94-K119 WeakPolarHBondContact CA-O 3.26Å; G94-K119 PolarHBondContact O-N 3.19Å
120C92.9Very high95Very high38 Ų3856.5 Ų56.526%0.25730%0.302SS..EExtended strand (participates in β ladder)trans-143-175.8170.763.40000109.6Y118 H122 I123Y118-C120 HydrophobicContact CE1-CB 4.07Å; C120-H122 PolarHBondContact O-N 2.84Å; C120-I123 PolarHBondContact N-O 2.64Å; C120-I123 PolarHBondContact O-N 2.77Å
121D93.1Very high95Very high99 Ų9956.6 Ų56.653%0.52930%0.3SS..THydrogen-bonded Turntrans-57.8130.2177.8-66.7-15.3000109.7I123D121-I123 PolarHBondContact O-N 2.8Å
122H93.1Very high94.5Very high64 Ų6457.9 Ų57.930%0.29630%0.304SS..THydrogen-bonded Turntrans66.3-5.7-179.1-55.5-78.4000116.8C120 V144 G145C120-H122 PolarHBondContact O-N 2.84Å; H122-V144 CarbonylContact O-C 3.54Å; H122-V144 WeakPolarHBondContact O-CA 3.3Å; H122-G145 VanDerWaalsContact CB-O 3.28Å; H122-G145 WeakPolarHBondContact CB-O 3.02Å; H122-G145 PolarHBondContact ND1-O 2.81Å; H122-G145 PolarHBondContact O-N 2.99Å
123I95.1Very high93.7Very high64 Ų6463 Ų6333%0.32833%0.325SS..EExtended strand (participates in β ladder)trans-137137.2-173.5-54.2177.9000111.6C120 D121 L125 V143 V144C120-I123 PolarHBondContact N-O 2.64Å; C120-I123 PolarHBondContact O-N 2.77Å; D121-I123 PolarHBondContact O-N 2.8Å; I123-L125 HydrophobicContact CG2-CD1 4.34Å; I123-L125 HydrophobicContact CG2-CD2 3.77Å; I123-L125 HydrophobicContact CG2-CG 3.75Å; I123-V143 CarbonylContact C-O 3.57Å; I123-V143 WeakPolarHBondContact CA-O 3.16Å; I123-V144 HydrophobicContact CG1-CG1 4.41Å
124N96.8Very high92.9Very high15 Ų1565.6 Ų65.68%0.0834%0.343CS..EExtended strand (participates in β ladder)trans-135.4115.5169.4-168.6-33.7000109.4P4 T6 A142 V143P4-N124 HydrophobicContact CG-CB 3.95Å; P4-N124 WeakPolarHBondContact O-CB 3.35Å; P4-N124 PolarHBondContact O-ND2 2.78Å; T6-N124 PolarHBondContact N-ND2 2.98Å; N124-A142 CarbonylContact O-C 3.45Å; N124-A142 WeakPolarHBondContact O-CA 3.34Å; N124-V143 HydrophobicContact CB-CB 4.46Å; N124-V143 PolarHBondContact N-O 3.18Å; N124-V143 PolarHBondContact O-N 3.3Å
125L97.3Very high92.4Very high75 Ų7563.1 Ų63.139%0.39334%0.338SS..EExtended strand (participates in β ladder)trans-110.9142.9-179-55.7178.1000109.7A117 Y118 I123 A141 A142A117-L125 CarbonylContact C-O 3.53Å; A117-L125 VanDerWaalsContact CA-O 3.23Å; A117-L125 WeakPolarHBondContact CA-O 3.41Å; Y118-L125 PolarHBondContact N-O 2.73Å; Y118-L125 PolarHBondContact O-N 2.81Å; I123-L125 HydrophobicContact CG2-CD1 4.34Å; I123-L125 HydrophobicContact CG2-CD2 3.77Å; I123-L125 HydrophobicContact CG2-CG 3.75Å; L125-A141 CarbonylContact C-O 3.57Å; L125-A141 WeakPolarHBondContact CA-O 3.33Å; L125-A142 HydrophobicContact CD2-CB 3.57Å
126G96.9Very high92.3Very high22 Ų2262.9 Ų62.923%0.22734%0.341CS..EExtended strand (participates in β ladder)trans-136.6139173.100000110.6T116 G140 A141T116-G126 CarbonylContact O-C 3.54Å; T116-G126 VanDerWaalsContact O-CA 3.32Å; T116-G126 WeakPolarHBondContact O-CA 3.33Å; G126-G140 CarbonylContact O-C 3.57Å; G126-A141 PolarHBondContact N-O 2.8Å; G126-A141 PolarHBondContact O-N 2.83Å
127C97.1Very high92.2Very high47 Ų4761.6 Ų61.632%0.31834%0.335SS..EExtended strand (participates in β ladder)trans-140.7115170.6-179.80000108.8T116 H139T116-C127 PolarHBondContact N-O 2.77Å; T116-C127 PolarHBondContact O-N 2.82Å; T116-C127 WeakPolarHBondContact OG1-CB 3.11Å; T116-C127 PolarHBondContact OG1-O 2.82Å; C127-H139 CarbonylContact C-O 3.54Å; C127-H139 VanDerWaalsContact CA-O 3.29Å; C127-H139 WeakPolarHBondContact CA-O 3.19Å
128D95.9Very high92.2Very high52 Ų5263.3 Ų63.328%0.27834%0.339SS..EExtended strand (participates in β ladder)trans-114.1119179.9-61.4-8.6000109.5L114 K115 H139L114-D128 CarbonylContact O-C 3.53Å; L114-D128 WeakPolarHBondContact O-CA 3.32Å; K115-D128 WeakPolarHBondContact CA-OD1 3.4Å; K115-D128 WeakPolarHBondContact CB-OD1 3.37Å; K115-D128 HydrophobicContact CG-CB 4.18Å; K115-D128 WeakPolarHBondContact CG-OD1 3.06Å; D128-H139 HydrophobicContact CB-CB 4.23Å; D128-H139 PolarHBondContact N-O 2.91Å; D128-H139 PolarHBondContact O-N 2.84Å
129V96Very high92.2Very high53 Ų5361.3 Ų61.332%0.32133%0.333SS..EExtended strand (participates in β ladder)trans-98.5107.7172.9-1770000108.1K113 L114 T136K113-V129 CarbonylContact C-O 3.56Å; K113-V129 VanDerWaalsContact CA-O 3.29Å; K113-V129 WeakPolarHBondContact CA-O 3.33Å; L114-V129 HydrophobicContact CB-CB 4.45Å; L114-V129 PolarHBondContact N-O 3.2Å; L114-V129 PolarHBondContact O-N 2.77Å; V129-T136 HydrophobicContact CG1-CG2 3.79Å
130N93.1Very high92.4Very high35 Ų3558.7 Ų58.719%0.18733%0.327CS..EExtended strand (participates in β ladder)trans-97.8117.2178-70.1-13.4000109.6K113 T136 A137 H139K113-N130 WeakPolarHBondContact CB-OD1 3.41Å; K113-N130 VanDerWaalsContact CD-OD1 3.29Å; K113-N130 WeakPolarHBondContact CD-OD1 3.36Å; K113-N130 HydrophobicContact CG-CB 4.44Å; K113-N130 WeakPolarHBondContact CG-OD1 3.39Å; N130-T136 CarbonylContact O-C 3.55Å; N130-T136 VanDerWaalsContact O-CA 3.31Å; N130-T136 WeakPolarHBondContact O-CA 3.48Å; N130-A137 PolarHBondContact N-O 2.82Å; N130-A137 PolarHBondContact O-N 2.89Å; N130-H139 PolarHBondContact ND2-CD2 2.92Å; N130-H139 PolarHBondContact ND2-NE2 2.84Å
131Y90Very high92.6Very high138 Ų13858.2 Ų58.254%0.54133%0.326SS..EExtended strand (participates in β ladder)trans-102.3125.3172.7178-94000110.1G111 G112G111-Y131 WeakPolarHBondContact CA-O 3.29Å; G112-Y131 PolarHBondContact N-O 2.81Å; G112-Y131 WeakPolarHBondContact O-CA 3.31Å; G112-Y131 PolarHBondContact O-N 2.79Å
132D82.1Confident92.8Very high42 Ų4255.1 Ų55.123%0.22531%0.314CS..EExtended strand (participates in β ladder)trans-127.2161.4166.7-166.8-1.6000108.2K109 N134 G135K109-D132 WeakPolarHBondContact CE-OD1 3.27Å; K109-D132 WeakPolarHBondContact CE-OD2 3.46Å; K109-D132 IonicContact NZ-OD1 3.99Å; K109-D132 IonicContact NZ-OD2 3.23Å; K109-D132 PolarHBondContact NZ-OD2 2.81Å; D132-N134 PolarHBondContact O-N 2.79Å; D132-G135 PolarHBondContact N-O 2.83Å; D132-G135 PolarHBondContact O-N 2.85Å; D132-G135 VanDerWaalsContact O-O 3.07Å
133I76.9Confident93.1Very high123 Ų12352.1 Ų52.163%0.63130%0.3SS*.THydrogen-bonded Turntrans-56.8-24.1175-161.7166000112.6
134N79.1Confident93.1Very high140 Ų14052.6 Ų52.675%0.74931%0.306SS*.THydrogen-bonded Turntrans-90.5-2.2-179.5-60.5-45.9000113.8D132D132-N134 PolarHBondContact O-N 2.79Å
135G86Confident93.1Very high33 Ų3352.4 Ų52.434%0.3431%0.307SS..EExtended strand (participates in β ladder)trans143.1172.217800000114.1D132D132-G135 PolarHBondContact N-O 2.83Å; D132-G135 PolarHBondContact O-N 2.85Å; D132-G135 VanDerWaalsContact O-O 3.07Å
136T93.3Very high93Very high44 Ų4455.1 Ų55.127%0.2732%0.317SS..EExtended strand (participates in β ladder)trans-106.4131.2177.5-55.90000110.4V129 N130 A159V129-T136 HydrophobicContact CG1-CG2 3.79Å; N130-T136 CarbonylContact O-C 3.55Å; N130-T136 VanDerWaalsContact O-CA 3.31Å; N130-T136 WeakPolarHBondContact O-CA 3.48Å; T136-A159 WeakPolarHBondContact O-CB 3.43Å; T136-A159 PolarHBondContact O-N 2.77Å
137A94.7Very high92.7Very high20 Ų2061.3 Ų61.317%0.16534%0.34CS..EExtended strand (participates in β ladder)trans-116.3134.9171.800000109.8N130 T156 F157N130-A137 PolarHBondContact N-O 2.82Å; N130-A137 PolarHBondContact O-N 2.89Å; A137-T156 HydrophobicContact CB-CG2 4.45Å; A137-F157 CarbonylContact C-O 3.51Å; A137-F157 WeakPolarHBondContact CA-O 3.2Å
138I96.2Very high92.4Very high65 Ų6560.6 Ų60.633%0.33334%0.34SS..EExtended strand (participates in β ladder)trans-110.4121177.3-54.4175.9000107.4T156 F157I138-T156 CarbonylContact O-C 3.55Å; I138-T156 WeakPolarHBondContact O-CA 3.4Å; I138-F157 HydrophobicContact CD1-CD1 4.4Å; I138-F157 PolarHBondContact N-O 2.74Å; I138-F157 PolarHBondContact O-N 3.06Å
139H96.6Very high92.4Very high44 Ų4465 Ų6520%0.20435%0.353CS..EExtended strand (participates in β ladder)trans-106.9117176.7-52.6-82.6000109.2C127 D128 N130 T155 T156C127-H139 CarbonylContact C-O 3.54Å; C127-H139 VanDerWaalsContact CA-O 3.29Å; C127-H139 WeakPolarHBondContact CA-O 3.19Å; D128-H139 HydrophobicContact CB-CB 4.23Å; D128-H139 PolarHBondContact N-O 2.91Å; D128-H139 PolarHBondContact O-N 2.84Å; N130-H139 PolarHBondContact ND2-CD2 2.92Å; N130-H139 PolarHBondContact ND2-NE2 2.84Å; H139-T155 CarbonylContact C-O 3.51Å; H139-T155 VanDerWaalsContact CA-O 3.31Å; H139-T155 WeakPolarHBondContact CA-O 3.3Å; H139-T156 WeakPolarHBondContact CE1-CG2 3.5Å; H139-T156 WeakPolarHBondContact ND1-CG2 3.4Å; H139-T156 PolarHBondContact ND1-OG1 2.7Å
140G97.6Very high92.5Very high19 Ų1963.6 Ų63.620%0.19634%0.343CS..EExtended strand (participates in β ladder)trans-102.8141.5173.200000110.6G126 Q154 T155G126-G140 CarbonylContact O-C 3.57Å; G140-Q154 CarbonylContact O-C 3.26Å; G140-Q154 VanDerWaalsContact O-CA 3.29Å; G140-Q154 WeakPolarHBondContact O-CA 3.42Å; G140-T155 PolarHBondContact N-O 2.8Å; G140-T155 PolarHBondContact O-N 2.83Å
141A97.9Very high92.7Very high28 Ų2864 Ų6423%0.23135%0.352CS..EExtended strand (participates in β ladder)trans-141140.3171.500000110.4L125 G126 Y153L125-A141 CarbonylContact C-O 3.57Å; L125-A141 WeakPolarHBondContact CA-O 3.33Å; G126-A141 PolarHBondContact N-O 2.8Å; G126-A141 PolarHBondContact O-N 2.83Å; A141-Y153 CarbonylContact C-O 3.58Å; A141-Y153 VanDerWaalsContact CA-O 3.3Å; A141-Y153 WeakPolarHBondContact CA-O 3.36Å
142A97.8Very high93Very high34 Ų3457.8 Ų57.828%0.28133%0.329SS..EExtended strand (participates in β ladder)trans-140.4134.7173.200000109.2N124 L125 G152 Y153N124-A142 CarbonylContact O-C 3.45Å; N124-A142 WeakPolarHBondContact O-CA 3.34Å; L125-A142 HydrophobicContact CD2-CB 3.57Å; A142-G152 CarbonylContact O-C 3.48Å; A142-G152 VanDerWaalsContact O-CA 3.28Å; A142-G152 WeakPolarHBondContact O-CA 3.18Å; A142-Y153 PolarHBondContact N-O 2.82Å; A142-Y153 PolarHBondContact O-N 2.82Å
143V97.9Very high93.8Very high1 Ų159.7 Ų59.71%0.00633%0.334CS..EExtended strand (participates in β ladder)trans-128.9127.2172.7-175.40000108.3P4 Y7 L10 I123 N124 A151P4-V143 HydrophobicContact CB-CG1 3.88Å; P4-V143 HydrophobicContact CG-CG1 4.45Å; Y7-V143 HydrophobicContact CD2-CG2 4.42Å; L10-V143 HydrophobicContact CD1-CG2 4.17Å; L10-V143 HydrophobicContact CD2-CG1 4.29Å; I123-V143 CarbonylContact C-O 3.57Å; I123-V143 WeakPolarHBondContact CA-O 3.16Å; N124-V143 HydrophobicContact CB-CB 4.46Å; N124-V143 PolarHBondContact N-O 3.18Å; N124-V143 PolarHBondContact O-N 3.3Å; V143-A151 CarbonylContact C-O 3.46Å; V143-A151 WeakPolarHBondContact CA-O 3.48Å
144V97.1Very high94.8Very high74 Ų7456 Ų5645%0.44831%0.314SS..EExtended strand (participates in β ladder)trans-110.1144.1171.4-600000109.6H122 I123 L150 A151H122-V144 CarbonylContact O-C 3.54Å; H122-V144 WeakPolarHBondContact O-CA 3.3Å; I123-V144 HydrophobicContact CG1-CG1 4.41Å; V144-L150 CarbonylContact O-C 3.59Å; V144-L150 WeakPolarHBondContact O-CA 3.17Å; V144-A151 HydrophobicContact CG2-CB 3.88Å; V144-A151 PolarHBondContact N-O 3.38Å; V144-A151 PolarHBondContact O-N 3.24Å
145G96.1Very high95.7Very high11 Ų1150.7 Ų50.711%0.11329%0.287CS..EExtended strand (participates in β ladder)trans-129.8133.3179.400000112.1H122 W149H122-G145 VanDerWaalsContact CB-O 3.28Å; H122-G145 WeakPolarHBondContact CB-O 3.02Å; H122-G145 PolarHBondContact ND1-O 2.81Å; H122-G145 PolarHBondContact O-N 2.99Å; G145-W149 CarbonylContact C-O 3.59Å; G145-W149 WeakPolarHBondContact CA-O 3.37Å
146F93.8Very high96.2Very high133 Ų13349.4 Ų49.458%0.58327%0.272SS*.EExtended strand (participates in β ladder)trans-146.2124.3178.6-175-96.9000110.1G148 W149F146-G148 VanDerWaalsContact C-N 3.26Å; F146-G148 PolarHBondContact O-N 2.96Å; F146-G148 VanDerWaalsContact O-N 3.11Å; F146-W149 PolarHBondContact N-O 3.29Å; F146-W149 WeakPolarHBondContact O-CA 3.39Å; F146-W149 VanDerWaalsContact O-CB 3.26Å; F146-W149 WeakPolarHBondContact O-CB 3.32Å; F146-W149 PolarHBondContact O-N 3.22Å
147E91.3Very high96.3Very high152 Ų15250.4 Ų50.471%0.7127%0.273SS*.THydrogen-bonded Turntrans4545.6178.6-64.4-173.6164.900114.6W149E147-W149 PolarHBondContact O-N 3.06Å
148G91.4Very high96.3Very high31 Ų3152.3 Ų52.332%0.3228%0.279SS..THydrogen-bonded Turntrans84.3-19.9-178.800000114.7F146 Y173 K174F146-G148 VanDerWaalsContact C-N 3.26Å; F146-G148 PolarHBondContact O-N 2.96Å; F146-G148 VanDerWaalsContact O-N 3.11Å; G148-Y173 CarbonylContact O-C 3.55Å; G148-Y173 WeakPolarHBondContact O-CA 3.46Å; G148-K174 PolarHBondContact O-N 3.29Å
149W95.9Very high96Very high146 Ų14651.5 Ų51.555%0.55328%0.281SS*.EExtended strand (participates in β ladder)trans-71.2146.2170.6-64.789.7000111.4G145 F146 E147 V171 G172 Y173G145-W149 CarbonylContact C-O 3.59Å; G145-W149 WeakPolarHBondContact CA-O 3.37Å; F146-W149 PolarHBondContact N-O 3.29Å; F146-W149 WeakPolarHBondContact O-CA 3.39Å; F146-W149 VanDerWaalsContact O-CB 3.26Å; F146-W149 WeakPolarHBondContact O-CB 3.32Å; F146-W149 PolarHBondContact O-N 3.22Å; E147-W149 PolarHBondContact O-N 3.06Å; W149-V171 HydrophobicContact CE3-CG1 4.45Å; W149-G172 CarbonylContact C-O 3.49Å; W149-G172 WeakPolarHBondContact CA-O 3.45Å; W149-Y173 AromaticContact CD1-CD2 3.97Å; W149-Y173 AromaticContact CD2-CD2 3.8Å; W149-Y173 HydrophobicContact CD2-CD2 3.8Å; W149-Y173 AromaticContact CE2-CD2 3.8Å; W149-Y173 HydrophobicContact CE3-CD2 4.33Å; W149-Y173 AromaticContact CG-CD2 3.94Å; W149-Y173 HydrophobicContact CG-CD2 3.94Å; W149-Y173 HydrophobicContact CG-CE2 4.47Å; W149-Y173 HydrophobicContact CZ2-CD2 4.35Å; W149-Y173 AromaticContact NE1-CD2 3.89Å; W149-Y173 AromaticContact NE1-CE2 3.92Å
150L96.8Very high95.7Very high22 Ų2252.9 Ų52.912%0.11531%0.308CS..EExtended strand (participates in β ladder)trans-131.2130.8177.3-62.2172.2000108.2P4 P5 L10 V144 V171 G172 K174P4-L150 HydrophobicContact CB-CD2 3.74Å; P5-L150 HydrophobicContact CG-CD1 4.22Å; L10-L150 HydrophobicContact CD2-CB 4.14Å; L10-L150 HydrophobicContact CD2-CD1 3.76Å; V144-L150 CarbonylContact O-C 3.59Å; V144-L150 WeakPolarHBondContact O-CA 3.17Å; L150-V171 CarbonylContact O-C 3.57Å; L150-V171 WeakPolarHBondContact O-CA 3.42Å; L150-G172 PolarHBondContact N-O 3.21Å; L150-G172 PolarHBondContact O-N 3.15Å; L150-K174 HydrophobicContact CD1-CB 4.05Å
151A97.8Very high95.3Very high45 Ų4559.7 Ų59.737%0.37233%0.327SS..EExtended strand (participates in β ladder)trans-125.2127.3170.100000108.7V143 V144 A170V143-A151 CarbonylContact C-O 3.46Å; V143-A151 WeakPolarHBondContact CA-O 3.48Å; V144-A151 HydrophobicContact CG2-CB 3.88Å; V144-A151 PolarHBondContact N-O 3.38Å; V144-A151 PolarHBondContact O-N 3.24Å; A151-A170 CarbonylContact C-O 3.52Å; A151-A170 WeakPolarHBondContact CA-O 3.16Å
152G97.6Very high95Very high7 Ų764.6 Ų64.67%0.07235%0.35CS..EExtended strand (participates in β ladder)trans-124.3143-175.600000111.6A142 F169 A170A142-G152 CarbonylContact O-C 3.48Å; A142-G152 VanDerWaalsContact O-CA 3.28Å; A142-G152 WeakPolarHBondContact O-CA 3.18Å; G152-F169 WeakPolarHBondContact O-CA 3.45Å; G152-A170 PolarHBondContact N-O 2.86Å; G152-A170 PolarHBondContact O-N 2.84Å
153Y98.1Very high94.9Very high81 Ų8168.8 Ų68.832%0.31836%0.362SS..EExtended strand (participates in β ladder)trans-129.7137.5168.6-178.4-115.3000109.5A141 A142 T155 S167 N168 F169A141-Y153 CarbonylContact C-O 3.58Å; A141-Y153 VanDerWaalsContact CA-O 3.3Å; A141-Y153 WeakPolarHBondContact CA-O 3.36Å; A142-Y153 PolarHBondContact N-O 2.82Å; A142-Y153 PolarHBondContact O-N 2.82Å; Y153-T155 HydrophobicContact CE1-CG2 4Å; Y153-S167 WeakPolarHBondContact CE2-OG 3.3Å; Y153-S167 PolarHBondContact OH-OG 3.47Å; Y153-N168 WeakPolarHBondContact CA-O 3.38Å; Y153-N168 WeakPolarHBondContact CD2-O 3.28Å; Y153-F169 AromaticContact CD2-CD1 3.58Å; Y153-F169 HydrophobicContact CD2-CD1 3.58Å; Y153-F169 HydrophobicContact CD2-CD2 4.43Å; Y153-F169 AromaticContact CD2-CE1 3.32Å; Y153-F169 HydrophobicContact CD2-CE1 3.32Å; Y153-F169 HydrophobicContact CD2-CE2 4.23Å; Y153-F169 HydrophobicContact CD2-CG 4.14Å; Y153-F169 AromaticContact CD2-CZ 3.68Å; Y153-F169 HydrophobicContact CD2-CZ 3.68Å; Y153-F169 HydrophobicContact CE2-CD1 4.17Å; Y153-F169 HydrophobicContact CE2-CD2 4.41Å; Y153-F169 AromaticContact CE2-CE1 3.57Å; Y153-F169 HydrophobicContact CE2-CE1 3.57Å; Y153-F169 AromaticContact CE2-CE2 3.85Å; Y153-F169 HydrophobicContact CE2-CE2 3.85Å; Y153-F169 AromaticContact CE2-CZ 3.39Å; Y153-F169 HydrophobicContact CE2-CZ 3.39Å; Y153-F169 HydrophobicContact CG-CE1 4.32Å
154Q97.7Very high94.7Very high45 Ų4572.3 Ų72.321%0.2138%0.383CS..EExtended strand (participates in β ladder)trans-133.1138172.7176.3-177.256.100109.5Y7 G140 S167 N168Y7-Q154 HydrophobicContact CD1-CB 3.55Å; Y7-Q154 HydrophobicContact CD1-CG 4.14Å; Y7-Q154 HydrophobicContact CD2-CB 3.93Å; Y7-Q154 HydrophobicContact CE1-CB 3.53Å; Y7-Q154 HydrophobicContact CE1-CG 4.27Å; Y7-Q154 VanDerWaalsContact CE1-OE1 3.29Å; Y7-Q154 HydrophobicContact CE2-CB 3.91Å; Y7-Q154 HydrophobicContact CG-CB 3.78Å; G140-Q154 CarbonylContact O-C 3.26Å; G140-Q154 VanDerWaalsContact O-CA 3.29Å; G140-Q154 WeakPolarHBondContact O-CA 3.42Å; Q154-S167 WeakPolarHBondContact O-CA 3.44Å; Q154-N168 HydrophobicContact CB-CB 4.35Å; Q154-N168 PolarHBondContact N-O 3.48Å; Q154-N168 PolarHBondContact O-N 2.79Å; Q154-N168 PolarHBondContact OE1-ND2 2.8Å
155T97.5Very high94.6Very high30 Ų3070.9 Ų70.918%0.18438%0.375CS..EExtended strand (participates in β ladder)trans-137.4150.3179.4-170.50000111H139 G140 Y153 Q166H139-T155 CarbonylContact C-O 3.51Å; H139-T155 VanDerWaalsContact CA-O 3.31Å; H139-T155 WeakPolarHBondContact CA-O 3.3Å; G140-T155 PolarHBondContact N-O 2.8Å; G140-T155 PolarHBondContact O-N 2.83Å; Y153-T155 HydrophobicContact CE1-CG2 4Å; T155-Q166 CarbonylContact C-O 3.57Å; T155-Q166 VanDerWaalsContact CA-O 3.25Å; T155-Q166 WeakPolarHBondContact CA-O 3.32Å; T155-Q166 PolarHBondContact OG1-O 2.78Å
156T96.8Very high94.6Very high5 Ų573.2 Ų73.23%0.03138%0.383CS..EExtended strand (participates in β ladder)trans-125.2125.3170.3-58.70000108.9A137 I138 H139 V164 T165 Q166A137-T156 HydrophobicContact CB-CG2 4.45Å; I138-T156 CarbonylContact O-C 3.55Å; I138-T156 WeakPolarHBondContact O-CA 3.4Å; H139-T156 WeakPolarHBondContact CE1-CG2 3.5Å; H139-T156 WeakPolarHBondContact ND1-CG2 3.4Å; H139-T156 PolarHBondContact ND1-OG1 2.7Å; T156-V164 CarbonylContact O-C 3.55Å; T156-V164 WeakPolarHBondContact O-CA 3.45Å; T156-T165 PolarHBondContact O-N 2.84Å; T156-Q166 PolarHBondContact N-O 3.14Å; T156-Q166 PolarHBondContact O-N 3.39Å; T156-Q166 PolarHBondContact OG1-OE1 2.9Å
157F95.6Very high94.7Very high65 Ų6568.4 Ų68.429%0.28537%0.365SS..EExtended strand (participates in β ladder)trans-112.3121.9173.8178.6-97.8000110.3A137 I138 A159 N162 V164A137-F157 CarbonylContact C-O 3.51Å; A137-F157 WeakPolarHBondContact CA-O 3.2Å; I138-F157 HydrophobicContact CD1-CD1 4.4Å; I138-F157 PolarHBondContact N-O 2.74Å; I138-F157 PolarHBondContact O-N 3.06Å; F157-A159 HydrophobicContact CE1-CB 4.19Å; F157-N162 WeakPolarHBondContact CZ-OD1 3.45Å; F157-V164 HydrophobicContact CD2-CG2 4.04Å
158E94.1Very high95Very high61 Ų6161.5 Ų61.529%0.28533%0.334SS..EExtended strand (participates in β ladder)trans-93.7106.7175.6-77.6173.1-150.100109.8G160 R161 N162 K163 T165E158-G160 VanDerWaalsContact C-N 3.32Å; E158-G160 PolarHBondContact O-N 2.85Å; E158-R161 HydrophobicContact CB-CB 4.39Å; E158-R161 PolarHBondContact O-N 2.79Å; E158-R161 VanDerWaalsContact O-N 3.16Å; E158-R161 WeakPolarHBondContact OE2-CD 3.29Å; E158-R161 IonicContact OE2-NE 2.86Å; E158-R161 IonicContact OE2-NH1 2.84Å; E158-R161 PolarHBondContact OE2-NH1 3.48Å; E158-N162 PolarHBondContact O-N 2.89Å; E158-K163 PolarHBondContact N-O 2.88Å; E158-K163 PolarHBondContact O-N 2.8Å; E158-T165 HydrophobicContact CB-CG2 4.18Å; E158-T165 HydrophobicContact CG-CG2 3.95Å; E158-T165 WeakPolarHBondContact OE1-CB 3.16Å; E158-T165 VanDerWaalsContact OE1-CG2 3.3Å; E158-T165 WeakPolarHBondContact OE1-CG2 3.25Å; E158-T165 PolarHBondContact OE1-OG1 3.38Å
159A90.9Very high95.3Very high47 Ų4765.5 Ų65.539%0.38834%0.342SS..G310 helixtrans-63-38.3-175.200000112.3T136 F157 R161 N162T136-A159 WeakPolarHBondContact O-CB 3.43Å; T136-A159 PolarHBondContact O-N 2.77Å; F157-A159 HydrophobicContact CE1-CB 4.19Å; A159-R161 PolarHBondContact O-N 2.99Å; A159-N162 PolarHBondContact O-N 2.79Å
160G89.1Confident95.4Very high74 Ų7458.6 Ų58.676%0.76332%0.317SS*.G310 helixtrans-64.2-23178.800000114.2E158E158-G160 VanDerWaalsContact C-N 3.32Å; E158-G160 PolarHBondContact O-N 2.85Å
161R89.9Confident95.4Very high161 Ų16161 Ų6161%0.60833%0.332SS*.G310 helixtrans-107.9-4.6178.2-63.8174.175.2-171.63.7113.2E158 A159 K163E158-R161 HydrophobicContact CB-CB 4.39Å; E158-R161 PolarHBondContact O-N 2.79Å; E158-R161 VanDerWaalsContact O-N 3.16Å; E158-R161 WeakPolarHBondContact OE2-CD 3.29Å; E158-R161 IonicContact OE2-NE 2.86Å; E158-R161 IonicContact OE2-NH1 2.84Å; E158-R161 PolarHBondContact OE2-NH1 3.48Å; A159-R161 PolarHBondContact O-N 2.99Å; R161-K163 HydrophobicContact CB-CB 4.31Å; R161-K163 PolarHBondContact O-N 2.79Å
162N92.2Very high95.4Very high132 Ų13259 Ų5971%0.70632%0.316SS*.THydrogen-bonded Turntrans47.445.8-172.2-167.430.8000112.7F157 E158 A159F157-N162 WeakPolarHBondContact CZ-OD1 3.45Å; E158-N162 PolarHBondContact O-N 2.89Å; A159-N162 PolarHBondContact O-N 2.79Å
163K95.1Very high95.3Very high121 Ų12162.4 Ų62.453%0.52633%0.327SS..EExtended strand (participates in β ladder)trans-141.7140.1-172.8-176.2175.9177.7-177.70111.7E158 R161 T165E158-K163 PolarHBondContact N-O 2.88Å; E158-K163 PolarHBondContact O-N 2.8Å; R161-K163 HydrophobicContact CB-CB 4.31Å; R161-K163 PolarHBondContact O-N 2.79Å; K163-T165 PolarHBondContact O-N 3.18Å
164V94.8Very high95.1Very high75 Ų7563.2 Ų63.246%0.45533%0.332SS..EExtended strand (participates in β ladder)trans-74117.3164.5179.40000108.5T156 F157 Q166T156-V164 CarbonylContact O-C 3.55Å; T156-V164 WeakPolarHBondContact O-CA 3.45Å; F157-V164 HydrophobicContact CD2-CG2 4.04Å; V164-Q166 WeakPolarHBondContact CG1-O 3.37Å
165T94.5Very high94.8Very high44 Ų4463.5 Ų63.527%0.2734%0.337SS..EExtended strand (participates in β ladder)trans-103.3-15-177.354.70000113.7T156 E158 K163T156-T165 PolarHBondContact O-N 2.84Å; E158-T165 HydrophobicContact CB-CG2 4.18Å; E158-T165 HydrophobicContact CG-CG2 3.95Å; E158-T165 WeakPolarHBondContact OE1-CB 3.16Å; E158-T165 VanDerWaalsContact OE1-CG2 3.3Å; E158-T165 WeakPolarHBondContact OE1-CG2 3.25Å; E158-T165 PolarHBondContact OE1-OG1 3.38Å; K163-T165 PolarHBondContact O-N 3.18Å
166Q95.2Very high94.2Very high61 Ų6169.5 Ų69.529%0.28537%0.368SS..EExtended strand (participates in β ladder)trans-142.3136.5176.5-165.3-178.1-35.100109.9T155 T156 V164 N168 D186T155-Q166 CarbonylContact C-O 3.57Å; T155-Q166 VanDerWaalsContact CA-O 3.25Å; T155-Q166 WeakPolarHBondContact CA-O 3.32Å; T155-Q166 PolarHBondContact OG1-O 2.78Å; T156-Q166 PolarHBondContact N-O 3.14Å; T156-Q166 PolarHBondContact O-N 3.39Å; T156-Q166 PolarHBondContact OG1-OE1 2.9Å; V164-Q166 WeakPolarHBondContact CG1-O 3.37Å; Q166-N168 PolarHBondContact NE2-ND2 2.85Å; Q166-D186 VanDerWaalsContact CA-OD1 3.27Å; Q166-D186 WeakPolarHBondContact CA-OD1 3.28Å
167S96.6Very high93.9Very high31 Ų3175.8 Ų75.822%0.21740%0.397CS..EExtended strand (participates in β ladder)trans-147.4103175.7-179.70000109.5Y153 Q154 D186Y153-S167 WeakPolarHBondContact CE2-OG 3.3Å; Y153-S167 PolarHBondContact OH-OG 3.47Å; Q154-S167 WeakPolarHBondContact O-CA 3.44Å; S167-D186 PolarHBondContact N-OD1 2.85Å; S167-D186 WeakPolarHBondContact O-CA 3.43Å; S167-D186 PolarHBondContact O-N 2.77Å
168N97.6Very high93.9Very high8 Ų876 Ų764%0.04340%0.398CS..EExtended strand (participates in β ladder)trans-115.7140-175.2-55.4-18.6000111Y7 Y153 Q154 Q166 V184 N185 D186Y7-N168 HydrophobicContact CE1-CB 4.36Å; Y7-N168 WeakPolarHBondContact OH-CB 3.26Å; Y153-N168 WeakPolarHBondContact CA-O 3.38Å; Y153-N168 WeakPolarHBondContact CD2-O 3.28Å; Q154-N168 HydrophobicContact CB-CB 4.35Å; Q154-N168 PolarHBondContact N-O 3.48Å; Q154-N168 PolarHBondContact O-N 2.79Å; Q154-N168 PolarHBondContact OE1-ND2 2.8Å; Q166-N168 PolarHBondContact NE2-ND2 2.85Å; N168-V184 CarbonylContact C-O 3.56Å; N168-V184 VanDerWaalsContact CA-O 3.3Å; N168-V184 WeakPolarHBondContact CA-O 2.9Å; N168-N185 WeakPolarHBondContact OD1-CA 3.31Å; N168-N185 VanDerWaalsContact OD1-CB 3.32Å; N168-N185 WeakPolarHBondContact OD1-CB 3.46Å; N168-D186 PolarHBondContact OD1-N 2.7Å
169F97.7Very high94Very high114 Ų11474.3 Ų74.350%0.539%0.39SS..EExtended strand (participates in β ladder)trans-117.7144174.5-63.6-90.3000109.3G152 Y153 N183 V184G152-F169 WeakPolarHBondContact O-CA 3.45Å; Y153-F169 AromaticContact CD2-CD1 3.58Å; Y153-F169 HydrophobicContact CD2-CD1 3.58Å; Y153-F169 HydrophobicContact CD2-CD2 4.43Å; Y153-F169 AromaticContact CD2-CE1 3.32Å; Y153-F169 HydrophobicContact CD2-CE1 3.32Å; Y153-F169 HydrophobicContact CD2-CE2 4.23Å; Y153-F169 HydrophobicContact CD2-CG 4.14Å; Y153-F169 AromaticContact CD2-CZ 3.68Å; Y153-F169 HydrophobicContact CD2-CZ 3.68Å; Y153-F169 HydrophobicContact CE2-CD1 4.17Å; Y153-F169 HydrophobicContact CE2-CD2 4.41Å; Y153-F169 AromaticContact CE2-CE1 3.57Å; Y153-F169 HydrophobicContact CE2-CE1 3.57Å; Y153-F169 AromaticContact CE2-CE2 3.85Å; Y153-F169 HydrophobicContact CE2-CE2 3.85Å; Y153-F169 AromaticContact CE2-CZ 3.39Å; Y153-F169 HydrophobicContact CE2-CZ 3.39Å; Y153-F169 HydrophobicContact CG-CE1 4.32Å; F169-N183 CarbonylContact O-C 3.59Å; F169-N183 WeakPolarHBondContact O-CA 3.25Å; F169-N183 WeakPolarHBondContact O-CB 3.45Å; F169-V184 PolarHBondContact N-O 2.78Å; F169-V184 PolarHBondContact O-N 2.86Å
170A97.6Very high94.2Very high2 Ų275 Ų752%0.01739%0.387CS..EExtended strand (participates in β ladder)trans-136.2141173.700000110.7Y7 L10 A151 G152 T182 N183Y7-A170 HydrophobicContact CE2-CB 3.72Å; L10-A170 HydrophobicContact CD1-CB 3.68Å; A151-A170 CarbonylContact C-O 3.52Å; A151-A170 WeakPolarHBondContact CA-O 3.16Å; G152-A170 PolarHBondContact N-O 2.86Å; G152-A170 PolarHBondContact O-N 2.84Å; A170-T182 CarbonylContact C-O 3.52Å; A170-T182 WeakPolarHBondContact CA-O 3.18Å; A170-N183 HydrophobicContact CB-CB 4.17Å
171V97.6Very high94.6Very high72 Ų7272.7 Ų72.744%0.43636%0.356SS..EExtended strand (participates in β ladder)trans-127.3141.8168.8-179.40000107.6W149 L150 T182W149-V171 HydrophobicContact CE3-CG1 4.45Å; L150-V171 CarbonylContact O-C 3.57Å; L150-V171 WeakPolarHBondContact O-CA 3.42Å; V171-T182 PolarHBondContact N-O 2.84Å; V171-T182 PolarHBondContact O-N 3.38Å; V171-T182 VanDerWaalsContact O-O 3.08Å; V171-T182 PolarHBondContact O-OG1 3.23Å
172G96.6Very high95Very high3 Ų368 Ų683%0.03135%0.345CS..EExtended strand (participates in β ladder)trans-150.6167.4178.100000112W149 L150 L180W149-G172 CarbonylContact C-O 3.49Å; W149-G172 WeakPolarHBondContact CA-O 3.45Å; L150-G172 PolarHBondContact N-O 3.21Å; L150-G172 PolarHBondContact O-N 3.15Å; G172-L180 CarbonylContact C-O 3.57Å; G172-L180 WeakPolarHBondContact CA-O 3.27Å
173Y95.8Very high95.2Very high78 Ų7863.2 Ų63.231%0.30632%0.32SS..EExtended strand (participates in β ladder)trans-135.9129172.2-177.2-105.8000107.9G148 W149 T175 F178 Q179 L180G148-Y173 CarbonylContact O-C 3.55Å; G148-Y173 WeakPolarHBondContact O-CA 3.46Å; W149-Y173 AromaticContact CD1-CD2 3.97Å; W149-Y173 AromaticContact CD2-CD2 3.8Å; W149-Y173 HydrophobicContact CD2-CD2 3.8Å; W149-Y173 AromaticContact CE2-CD2 3.8Å; W149-Y173 HydrophobicContact CE3-CD2 4.33Å; W149-Y173 AromaticContact CG-CD2 3.94Å; W149-Y173 HydrophobicContact CG-CD2 3.94Å; W149-Y173 HydrophobicContact CG-CE2 4.47Å; W149-Y173 HydrophobicContact CZ2-CD2 4.35Å; W149-Y173 AromaticContact NE1-CD2 3.89Å; W149-Y173 AromaticContact NE1-CE2 3.92Å; Y173-T175 HydrophobicContact CD1-CG2 4.23Å; Y173-T175 HydrophobicContact CE1-CG2 3.43Å; Y173-T175 VanDerWaalsContact CE1-CG2 3.43Å; Y173-F178 HydrophobicContact CD1-CD1 4.36Å; Y173-F178 HydrophobicContact CD1-CE1 4.46Å; Y173-Q179 CarbonylContact O-C 3.58Å; Y173-Q179 VanDerWaalsContact O-CA 3.3Å; Y173-Q179 WeakPolarHBondContact O-CA 3.19Å; Y173-L180 PolarHBondContact N-O 2.83Å; Y173-L180 PolarHBondContact O-N 2.82Å
174K93.6Very high95.3Very high99 Ų9959.5 Ų59.543%0.4331%0.307SS..EExtended strand (participates in β ladder)trans-128.7128.3-174.1176.5171-176.2-1720110.5G148 L150 Q179G148-K174 PolarHBondContact O-N 3.29Å; L150-K174 HydrophobicContact CD1-CB 4.05Å; K174-Q179 HydrophobicContact CB-CG 4.49Å; K174-Q179 HydrophobicContact CG-CG 4.04Å
175T91.2Very high95.4Very high50 Ų5057.6 Ų57.631%0.30729%0.294SS..  trans-125.3-178.1166.365.60000108.5Y173 E177 F178Y173-T175 HydrophobicContact CD1-CG2 4.23Å; Y173-T175 HydrophobicContact CE1-CG2 3.43Å; Y173-T175 VanDerWaalsContact CE1-CG2 3.43Å; T175-E177 VanDerWaalsContact C-N 3.32Å; T175-F178 PolarHBondContact N-O 3.5Å; T175-F178 WeakPolarHBondContact OG1-CA 3.41Å; T175-F178 WeakPolarHBondContact OG1-CB 3.41Å; T175-F178 PolarHBondContact OG1-N 2.97Å; T175-F178 PolarHBondContact OG1-O 3.47Å
176D85.8Confident95.3Very high156 Ų15659.4 Ų59.483%0.83430%0.302SS*.SBendtrans-70.1-29.9178-68.9-20.5000112.9
177E91.4Very high95.2Very high137 Ų13758.9 Ų58.964%0.6431%0.313SS*.SBendtrans-105.3-24.1-175.3-62.7-179.2169.100113.2T175 Q196 K197T175-E177 VanDerWaalsContact C-N 3.32Å; E177-Q196 CarbonylContact O-C 3.48Å; E177-Q196 WeakPolarHBondContact O-CA 3.29Å; E177-K197 PolarHBondContact O-N 2.83Å
178F94Very high95Very high70 Ų7060.7 Ų60.731%0.30732%0.323SS..EExtended strand (participates in β ladder)trans-135.8137.2-171.5174.9-93.8000111.5Y173 T175 L180 I194 Y195Y173-F178 HydrophobicContact CD1-CD1 4.36Å; Y173-F178 HydrophobicContact CD1-CE1 4.46Å; T175-F178 PolarHBondContact N-O 3.5Å; T175-F178 WeakPolarHBondContact OG1-CA 3.41Å; T175-F178 WeakPolarHBondContact OG1-CB 3.41Å; T175-F178 PolarHBondContact OG1-N 2.97Å; T175-F178 PolarHBondContact OG1-O 3.47Å; F178-L180 HydrophobicContact CE1-CB 3.74Å; F178-L180 HydrophobicContact CZ-CB 3.97Å; F178-I194 HydrophobicContact CD2-CG2 4.17Å; F178-I194 HydrophobicContact CE2-CG2 3.44Å; F178-I194 VanDerWaalsContact CE2-CG2 3.44Å; F178-I194 HydrophobicContact CZ-CG2 4.14Å; F178-Y195 WeakPolarHBondContact CA-O 3.37Å
179Q95.9Very high94.9Very high25 Ų2565 Ų6512%0.11734%0.343CS..EExtended strand (participates in β ladder)trans-133125.5170.4-47.4-18010.400110.4S13 Y173 K174 I194 Y195S13-Q179 PolarHBondContact OG-NE2 2.88Å; S13-Q179 PolarHBondContact OG-OE1 3.4Å; Y173-Q179 CarbonylContact O-C 3.58Å; Y173-Q179 VanDerWaalsContact O-CA 3.3Å; Y173-Q179 WeakPolarHBondContact O-CA 3.19Å; K174-Q179 HydrophobicContact CB-CG 4.49Å; K174-Q179 HydrophobicContact CG-CG 4.04Å; Q179-I194 CarbonylContact O-C 3.53Å; Q179-I194 WeakPolarHBondContact O-CA 3.29Å; Q179-Y195 HydrophobicContact CB-CD1 4.45Å; Q179-Y195 HydrophobicContact CG-CD1 3.97Å; Q179-Y195 PolarHBondContact N-O 3.1Å; Q179-Y195 PolarHBondContact O-N 2.82Å
180L96.9Very high94.8Very high63 Ų6362.3 Ų62.333%0.3333%0.331SS..EExtended strand (participates in β ladder)trans-102.2135.7165.8177.966000108.3G172 Y173 F178 T182 I194G172-L180 CarbonylContact C-O 3.57Å; G172-L180 WeakPolarHBondContact CA-O 3.27Å; Y173-L180 PolarHBondContact N-O 2.83Å; Y173-L180 PolarHBondContact O-N 2.82Å; F178-L180 HydrophobicContact CE1-CB 3.74Å; F178-L180 HydrophobicContact CZ-CB 3.97Å; L180-T182 HydrophobicContact CD1-CG2 4.49Å; L180-I194 HydrophobicContact CD1-CG1 3.85Å
181H97.2Very high94.8Very high25 Ų2562.7 Ų62.712%0.11634%0.336CS..EExtended strand (participates in β ladder)trans-141127.5173.4170.862.7000109.3L10 G192 S193L10-H181 VanDerWaalsContact CB-CE1 3.42Å; L10-H181 WeakPolarHBondContact CB-CE1 3.34Å; H181-G192 CarbonylContact O-C 3.57Å; H181-G192 VanDerWaalsContact O-CA 3.29Å; H181-G192 WeakPolarHBondContact O-CA 3.42Å; H181-S193 PolarHBondContact N-O 2.9Å; H181-S193 PolarHBondContact O-N 2.9Å
182T97.5Very high94.7Very high62 Ų6259.8 Ų59.838%0.3832%0.32SS..EExtended strand (participates in β ladder)trans-125.3147.8172.159.80000109A170 V171 L180 G191A170-T182 CarbonylContact C-O 3.52Å; A170-T182 WeakPolarHBondContact CA-O 3.18Å; V171-T182 PolarHBondContact N-O 2.84Å; V171-T182 PolarHBondContact O-N 3.38Å; V171-T182 VanDerWaalsContact O-O 3.08Å; V171-T182 PolarHBondContact O-OG1 3.23Å; L180-T182 HydrophobicContact CD1-CG2 4.49Å; T182-G191 CarbonylContact C-O 3.54Å; T182-G191 VanDerWaalsContact CA-O 3.3Å; T182-G191 WeakPolarHBondContact CA-O 3.48Å
183N96.9Very high94.8Very high32 Ų3260.2 Ų60.217%0.17132%0.323CS..EExtended strand (participates in β ladder)trans-145.315417770.5-59.6000111.5F169 A170 N185 F190 G191F169-N183 CarbonylContact O-C 3.59Å; F169-N183 WeakPolarHBondContact O-CA 3.25Å; F169-N183 WeakPolarHBondContact O-CB 3.45Å; A170-N183 HydrophobicContact CB-CB 4.17Å; N183-N185 PolarHBondContact ND2-OD1 2.89Å; N183-F190 WeakPolarHBondContact O-CA 3.28Å; N183-G191 PolarHBondContact N-O 2.95Å; N183-G191 PolarHBondContact O-N 3.18Å; N183-G191 WeakPolarHBondContact OD1-CA 3.44Å; N183-G191 PolarHBondContact OD1-O 3.21Å
184V97.3Very high94.9Very high42 Ų4259.6 Ų59.626%0.25532%0.324SS..EExtended strand (participates in β ladder)trans-128.9118.9172.2-173.10000107.3N168 F169 E189 F190N168-V184 CarbonylContact C-O 3.56Å; N168-V184 VanDerWaalsContact CA-O 3.3Å; N168-V184 WeakPolarHBondContact CA-O 2.9Å; F169-V184 PolarHBondContact N-O 2.78Å; F169-V184 PolarHBondContact O-N 2.86Å; V184-E189 CarbonylContact C-O 3.54Å; V184-E189 WeakPolarHBondContact CA-O 3.49Å; V184-F190 HydrophobicContact CB-CD1 4.37Å; V184-F190 HydrophobicContact CB-CE1 4.35Å; V184-F190 HydrophobicContact CG1-CD1 4.04Å; V184-F190 HydrophobicContact CG1-CE1 3.7Å; V184-F190 HydrophobicContact CG1-CZ 3.99Å; V184-F190 HydrophobicContact CG2-CD1 3.62Å; V184-F190 HydrophobicContact CG2-CE1 3.71Å
185N95.8Very high95.1Very high36 Ų3655.8 Ų55.819%0.19331%0.307CS..EExtended strand (participates in β ladder)trans-100.9124.6175.5-52.3-24.5000109.2N168 N183 G187 T188 E189N168-N185 WeakPolarHBondContact OD1-CA 3.31Å; N168-N185 VanDerWaalsContact OD1-CB 3.32Å; N168-N185 WeakPolarHBondContact OD1-CB 3.46Å; N183-N185 PolarHBondContact ND2-OD1 2.89Å; N185-G187 PolarHBondContact O-N 3.31Å; N185-T188 PolarHBondContact O-N 2.89Å; N185-E189 HydrophobicContact CB-CB 4.2Å; N185-E189 PolarHBondContact N-O 3.04Å; N185-E189 PolarHBondContact O-N 2.73Å
186D94.1Very high95.4Very high81 Ų8157.9 Ų57.943%0.43331%0.313SS..THydrogen-bonded Turntrans52.523.3176.6-56.9-41.5000114.9Q166 S167 N168 T188Q166-D186 VanDerWaalsContact CA-OD1 3.27Å; Q166-D186 WeakPolarHBondContact CA-OD1 3.28Å; S167-D186 PolarHBondContact N-OD1 2.85Å; S167-D186 WeakPolarHBondContact O-CA 3.43Å; S167-D186 PolarHBondContact O-N 2.77Å; N168-D186 PolarHBondContact OD1-N 2.7Å; D186-T188 PolarHBondContact O-N 2.73Å
187G91.5Very high95.9Very high50 Ų5055 Ų5552%0.51529%0.293SS..THydrogen-bonded Turntrans67.46.9-175.400000115.1N185N185-G187 PolarHBondContact O-N 3.31Å
188T94.1Very high96.1Very high69 Ų6951.7 Ų51.742%0.42328%0.283SS..THydrogen-bonded Turntrans-123.8-33.7-17155.20000113.4N185 D186 T211 A212N185-T188 PolarHBondContact O-N 2.89Å; D186-T188 PolarHBondContact O-N 2.73Å; T188-T211 CarbonylContact O-C 3.59Å; T188-T211 WeakPolarHBondContact O-CA 3.21Å; T188-A212 PolarHBondContact O-N 2.82Å
189E94.9Very high96.1Very high99 Ų9952 Ų5246%0.46329%0.287SS..EExtended strand (participates in β ladder)trans-106.9126.5175.9-55.2-173.2153.600110.6V184 N185V184-E189 CarbonylContact C-O 3.54Å; V184-E189 WeakPolarHBondContact CA-O 3.49Å; N185-E189 HydrophobicContact CB-CB 4.2Å; N185-E189 PolarHBondContact N-O 3.04Å; N185-E189 PolarHBondContact O-N 2.73Å
190F95.9Very high96Very high57 Ų5755.6 Ų55.625%0.2532%0.315CS..EExtended strand (participates in β ladder)trans-113.2134.1-179-62.5-98.9000108.8N183 V184 A209 W210 A212N183-F190 WeakPolarHBondContact O-CA 3.28Å; V184-F190 HydrophobicContact CB-CD1 4.37Å; V184-F190 HydrophobicContact CB-CE1 4.35Å; V184-F190 HydrophobicContact CG1-CD1 4.04Å; V184-F190 HydrophobicContact CG1-CE1 3.7Å; V184-F190 HydrophobicContact CG1-CZ 3.99Å; V184-F190 HydrophobicContact CG2-CD1 3.62Å; V184-F190 HydrophobicContact CG2-CE1 3.71Å; F190-A209 CarbonylContact O-C 3.5Å; F190-A209 VanDerWaalsContact O-CA 3.25Å; F190-A209 WeakPolarHBondContact O-CA 3.5Å; F190-W210 HydrophobicContact CB-CD2 3.58Å; F190-W210 HydrophobicContact CB-CE3 3.97Å; F190-W210 HydrophobicContact CB-CG 4.16Å; F190-W210 HydrophobicContact CB-CH2 3.8Å; F190-W210 HydrophobicContact CB-CZ2 3.38Å; F190-W210 HydrophobicContact CB-CZ3 4.07Å; F190-W210 HydrophobicContact CD1-CH2 4.46Å; F190-W210 AromaticContact CD1-CZ2 3.73Å; F190-W210 HydrophobicContact CD1-CZ2 3.73Å; F190-W210 AromaticContact CD2-CD1 3.91Å; F190-W210 AromaticContact CD2-CE2 3.89Å; F190-W210 HydrophobicContact CD2-CZ2 4.32Å; F190-W210 AromaticContact CD2-NE1 3.35Å; F190-W210 VanDerWaalsContact CD2-NE1 3.35Å; F190-W210 HydrophobicContact CG-CD2 4.29Å; F190-W210 AromaticContact CG-CE2 3.49Å; F190-W210 VanDerWaalsContact CG-CE2 3.49Å; F190-W210 HydrophobicContact CG-CH2 4.36Å; F190-W210 AromaticContact CG-CZ2 3.54Å; F190-W210 HydrophobicContact CG-CZ2 3.54Å; F190-W210 AromaticContact CG-NE1 3.48Å; F190-W210 PolarHBondContact N-O 2.92Å; F190-W210 PolarHBondContact O-N 2.87Å; F190-A212 HydrophobicContact CE2-CB 4.13Å
191G96.1Very high96Very high11 Ų1157.2 Ų57.211%0.11332%0.32CS..EExtended strand (participates in β ladder)trans-130.9151.2176.800000111.5T182 N183 L208T182-G191 CarbonylContact C-O 3.54Å; T182-G191 VanDerWaalsContact CA-O 3.3Å; T182-G191 WeakPolarHBondContact CA-O 3.48Å; N183-G191 PolarHBondContact N-O 2.95Å; N183-G191 PolarHBondContact O-N 3.18Å; N183-G191 WeakPolarHBondContact OD1-CA 3.44Å; N183-G191 PolarHBondContact OD1-O 3.21Å; G191-L208 CarbonylContact C-O 3.56Å; G191-L208 WeakPolarHBondContact CA-O 3.18Å
192G96.8Very high96Very high11 Ų1158 Ų5811%0.11333%0.325CS..EExtended strand (participates in β ladder)trans-151.8132.617800000110.1H181 N207 L208H181-G192 CarbonylContact O-C 3.57Å; H181-G192 VanDerWaalsContact O-CA 3.29Å; H181-G192 WeakPolarHBondContact O-CA 3.42Å; G192-N207 CarbonylContact O-C 3.58Å; G192-N207 WeakPolarHBondContact O-CA 3.3Å; G192-N207 PolarHBondContact O-OD1 2.91Å; G192-N207 VanDerWaalsContact O-OD1 3.04Å; G192-L208 PolarHBondContact N-O 2.92Å; G192-L208 PolarHBondContact O-N 3.03Å
193S97.5Very high96Very high11 Ų1157.8 Ų57.88%0.07732%0.319CS..EExtended strand (participates in β ladder)trans-136.4144.5174.863.10000111.2H181 V206H181-S193 PolarHBondContact N-O 2.9Å; H181-S193 PolarHBondContact O-N 2.9Å; S193-V206 CarbonylContact C-O 3.52Å; S193-V206 WeakPolarHBondContact CA-O 3.11Å; S193-V206 WeakPolarHBondContact CB-O 3.3Å
194I97.9Very high96Very high65 Ų6558 Ų5833%0.33332%0.321SS..EExtended strand (participates in β ladder)trans-120.3130.3173.9-63172.2000106.5F178 Q179 L180 A205 V206F178-I194 HydrophobicContact CD2-CG2 4.17Å; F178-I194 HydrophobicContact CE2-CG2 3.44Å; F178-I194 VanDerWaalsContact CE2-CG2 3.44Å; F178-I194 HydrophobicContact CZ-CG2 4.14Å; Q179-I194 CarbonylContact O-C 3.53Å; Q179-I194 WeakPolarHBondContact O-CA 3.29Å; L180-I194 HydrophobicContact CD1-CG1 3.85Å; I194-A205 CarbonylContact O-C 3.55Å; I194-A205 WeakPolarHBondContact O-CA 3.3Å; I194-V206 HydrophobicContact CB-CB 4.36Å; I194-V206 PolarHBondContact N-O 2.97Å; I194-V206 PolarHBondContact O-N 2.93Å
195Y98.1Very high96.1Very high19 Ų1956 Ų568%0.07531%0.31CS..EExtended strand (participates in β ladder)trans-114.9137.4169170.4-94.8000108.8V17 F178 Q179 K197 E203V17-Y195 HydrophobicContact CG2-CD2 4Å; V17-Y195 HydrophobicContact CG2-CE2 3.82Å; F178-Y195 WeakPolarHBondContact CA-O 3.37Å; Q179-Y195 HydrophobicContact CB-CD1 4.45Å; Q179-Y195 HydrophobicContact CG-CD1 3.97Å; Q179-Y195 PolarHBondContact N-O 3.1Å; Q179-Y195 PolarHBondContact O-N 2.82Å; Y195-K197 HydrophobicContact CE1-CB 4.14Å; Y195-E203 HydrophobicContact CE2-CB 4.13Å; Y195-E203 HydrophobicContact CE2-CG 4.4Å; Y195-E203 VanDerWaalsContact CE2-OE2 3.3Å; Y195-E203 WeakPolarHBondContact CE2-OE2 3.42Å; Y195-E203 PolarHBondContact OH-OE2 2.87Å
196Q97.4Very high96.2Very high95 Ų9556.2 Ų56.244%0.44431%0.312SS..EExtended strand (participates in β ladder)trans-138.2123.2174.6-171.3179.923.500110.4E177 V198 E203 T204E177-Q196 CarbonylContact O-C 3.48Å; E177-Q196 WeakPolarHBondContact O-CA 3.29Å; Q196-V198 HydrophobicContact CG-CG2 4.13Å; Q196-V198 PolarHBondContact O-N 2.87Å; Q196-E203 WeakPolarHBondContact O-CA 3.42Å; Q196-T204 PolarHBondContact N-O 3.15Å; Q196-T204 PolarHBondContact O-N 2.77Å
197K96.7Very high96.3Very high95 Ų9555.7 Ų55.741%0.41331%0.309SS..EExtended strand (participates in β ladder)trans-86.193.1165.4-174.4179.4-178.4-177.10107.7E177 Y195 N199 E203E177-K197 PolarHBondContact O-N 2.83Å; Y195-K197 HydrophobicContact CE1-CB 4.14Å; K197-N199 WeakPolarHBondContact CG-O 3.29Å; K197-E203 HydrophobicContact CG-CG 4.4Å
198V95.8Very high96.5Very high68 Ų6856.4 Ų56.441%0.41230%0.301SS..  trans-67.3-39.2-173.8-178.90000111.1Q196 L202 T204Q196-V198 HydrophobicContact CG-CG2 4.13Å; Q196-V198 PolarHBondContact O-N 2.87Å; V198-L202 HydrophobicContact CB-CB 4.25Å; V198-L202 HydrophobicContact CB-CD2 4.09Å; V198-L202 HydrophobicContact CB-CG 4.12Å; V198-L202 HydrophobicContact CG1-CD2 4.16Å; V198-L202 HydrophobicContact CG2-CD2 4.23Å; V198-L202 HydrophobicContact CG2-CG 4.25Å; V198-L202 PolarHBondContact N-O 3.26Å; V198-T204 HydrophobicContact CG2-CG2 3.92Å
199N94.6Very high96.6Very high76 Ų7654.8 Ų54.841%0.40630%0.295SS..SBendtrans-158.1-168.5171.758.651.6000110K197 K201 L202K197-N199 WeakPolarHBondContact CG-O 3.29Å; N199-K201 PolarHBondContact O-N 2.84Å; N199-K201 WeakPolarHBondContact OD1-CA 3.35Å; N199-K201 PolarHBondContact OD1-N 2.79Å; N199-L202 PolarHBondContact N-O 2.89Å; N199-L202 PolarHBondContact OD1-N 3.14Å
200S93.6Very high96.5Very high101 Ų10155.5 Ų55.571%0.70629%0.293SS*.SBendtrans-66.1-16.3179.557.90000114.6
201K96.3Very high96.5Very high96 Ų9655.1 Ų55.142%0.41730%0.296SS..SBendtrans-112.1-24.9-178.1-65.4-171.9174.7-160.40114.1N199 Y225 Q226 I227N199-K201 PolarHBondContact O-N 2.84Å; N199-K201 WeakPolarHBondContact OD1-CA 3.35Å; N199-K201 PolarHBondContact OD1-N 2.79Å; K201-Y225 HydrophobicContact CB-CD2 4.49Å; K201-Y225 HydrophobicContact CB-CE2 4.09Å; K201-Y225 CarbonylContact O-C 3.52Å; K201-Y225 WeakPolarHBondContact O-CA 3.45Å; K201-Q226 HydrophobicContact CB-CB 4.4Å; K201-Q226 PolarHBondContact O-N 2.79Å; K201-I227 PolarHBondContact NZ-O 2.8Å
202L96.9Very high96.2Very high43 Ų4357.2 Ų57.223%0.22531%0.312CS..EExtended strand (participates in β ladder)trans-117.6121.6-172.6-179.562.5000111.4V198 N199 T204 A223 Y225V198-L202 HydrophobicContact CB-CB 4.25Å; V198-L202 HydrophobicContact CB-CD2 4.09Å; V198-L202 HydrophobicContact CB-CG 4.12Å; V198-L202 HydrophobicContact CG1-CD2 4.16Å; V198-L202 HydrophobicContact CG2-CD2 4.23Å; V198-L202 HydrophobicContact CG2-CG 4.25Å; V198-L202 PolarHBondContact N-O 3.26Å; N199-L202 PolarHBondContact N-O 2.89Å; N199-L202 PolarHBondContact OD1-N 3.14Å; L202-T204 HydrophobicContact CD1-CG2 4.16Å; L202-T204 HydrophobicContact CD2-CG2 4.45Å; L202-T204 HydrophobicContact CG-CG2 4.13Å; L202-A223 HydrophobicContact CD1-CB 4.31Å; L202-Y225 HydrophobicContact CB-CD2 4.11Å; L202-Y225 HydrophobicContact CD1-CD2 4.1Å
203E97.4Very high95.9Very high57 Ų5761.4 Ų61.427%0.26636%0.355SS..EExtended strand (participates in β ladder)trans-116.8135.6169.5-62.3177.3-137.100108.9V17 Y195 Q196 K197 A223 K224V17-E203 HydrophobicContact CG2-CB 4.28Å; Y195-E203 HydrophobicContact CE2-CB 4.13Å; Y195-E203 HydrophobicContact CE2-CG 4.4Å; Y195-E203 VanDerWaalsContact CE2-OE2 3.3Å; Y195-E203 WeakPolarHBondContact CE2-OE2 3.42Å; Y195-E203 PolarHBondContact OH-OE2 2.87Å; Q196-E203 WeakPolarHBondContact O-CA 3.42Å; K197-E203 HydrophobicContact CG-CG 4.4Å; E203-A223 CarbonylContact O-C 3.52Å; E203-A223 WeakPolarHBondContact O-CA 3.17Å; E203-K224 PolarHBondContact N-O 2.93Å; E203-K224 PolarHBondContact O-N 2.79Å
204T98.1Very high95.5Very high35 Ų3564.7 Ų64.722%0.21537%0.372CS..EExtended strand (participates in β ladder)trans-125.4152.6177.6650000110.4Q196 V198 L202 A222 A223Q196-T204 PolarHBondContact N-O 3.15Å; Q196-T204 PolarHBondContact O-N 2.77Å; V198-T204 HydrophobicContact CG2-CG2 3.92Å; L202-T204 HydrophobicContact CD1-CG2 4.16Å; L202-T204 HydrophobicContact CD2-CG2 4.45Å; L202-T204 HydrophobicContact CG-CG2 4.13Å; T204-A222 CarbonylContact C-O 3.58Å; T204-A222 WeakPolarHBondContact CA-O 3.29Å; T204-A223 HydrophobicContact CG2-CB 4.22Å
205A98.1Very high95Very high1 Ų167.1 Ų67.11%0.00839%0.394CS..EExtended strand (participates in β ladder)trans-143.1143.8174.800000111.1A14 V17 F18 I194 A222A14-A205 HydrophobicContact CB-CB 4.03Å; V17-A205 HydrophobicContact CB-CB 3.79Å; V17-A205 HydrophobicContact CG1-CB 3.97Å; V17-A205 HydrophobicContact CG2-CB 4.24Å; F18-A205 HydrophobicContact CD2-CB 3.95Å; F18-A205 HydrophobicContact CE2-CB 3.59Å; I194-A205 CarbonylContact O-C 3.55Å; I194-A205 WeakPolarHBondContact O-CA 3.3Å; A205-A222 PolarHBondContact N-O 2.74Å; A205-A222 PolarHBondContact O-N 3.21Å
206V98Very high94.6Very high41 Ų4171.6 Ų71.625%0.24842%0.42CS..EExtended strand (participates in β ladder)trans-118.4140.7170.4174.50000107.8S193 I194 F219 G220S193-V206 CarbonylContact C-O 3.52Å; S193-V206 WeakPolarHBondContact CA-O 3.11Å; S193-V206 WeakPolarHBondContact CB-O 3.3Å; I194-V206 HydrophobicContact CB-CB 4.36Å; I194-V206 PolarHBondContact N-O 2.97Å; I194-V206 PolarHBondContact O-N 2.93Å; V206-F219 HydrophobicContact CG1-CD2 4.01Å; V206-F219 HydrophobicContact CG1-CE2 3.47Å; V206-F219 VanDerWaalsContact CG1-CE2 3.47Å; V206-F219 HydrophobicContact CG1-CZ 4.49Å; V206-G220 WeakPolarHBondContact CA-O 3.44Å
207N96.8Very high94.3Very high70 Ų7070.2 Ų70.237%0.37442%0.418SS..EExtended strand (participates in β ladder)trans-131.1138.1173.4-163.813.8000110.1F18 G192 F219 G220F18-N207 HydrophobicContact CD2-CB 4.43Å; F18-N207 HydrophobicContact CE2-CB 3.81Å; F18-N207 HydrophobicContact CZ-CB 3.93Å; G192-N207 CarbonylContact O-C 3.58Å; G192-N207 WeakPolarHBondContact O-CA 3.3Å; G192-N207 PolarHBondContact O-OD1 2.91Å; G192-N207 VanDerWaalsContact O-OD1 3.04Å; N207-F219 CarbonylContact O-C 3.55Å; N207-F219 WeakPolarHBondContact O-CA 3.48Å; N207-G220 PolarHBondContact N-O 3.35Å; N207-G220 PolarHBondContact O-N 2.96Å
208L95.6Very high94.2Very high64 Ų6474.2 Ų74.234%0.33543%0.43SS..EExtended strand (participates in β ladder)trans-131.2134.3-178.4-73.4164.3000107.6G191 G192 T217 R218 F219G191-L208 CarbonylContact C-O 3.56Å; G191-L208 WeakPolarHBondContact CA-O 3.18Å; G192-L208 PolarHBondContact N-O 2.92Å; G192-L208 PolarHBondContact O-N 3.03Å; L208-T217 HydrophobicContact CD2-CG2 4.18Å; L208-R218 CarbonylContact C-O 3.5Å; L208-R218 WeakPolarHBondContact CA-O 3.47Å; L208-F219 HydrophobicContact CD2-CB 3.95Å; L208-F219 HydrophobicContact CD2-CD2 3.51Å; L208-F219 HydrophobicContact CD2-CE2 4.44Å; L208-F219 HydrophobicContact CD2-CG 4.17Å; L208-F219 HydrophobicContact CG-CD2 4.14Å
209A95.5Very high94.1Very high36 Ų3674.6 Ų74.630%0.29843%0.426SS..EExtended strand (participates in β ladder)trans-145.2138.1172.500000110.4F190 R218F190-A209 CarbonylContact O-C 3.5Å; F190-A209 VanDerWaalsContact O-CA 3.25Å; F190-A209 WeakPolarHBondContact O-CA 3.5Å; A209-R218 HydrophobicContact CB-CB 4.46Å; A209-R218 PolarHBondContact N-O 2.89Å; A209-R218 PolarHBondContact O-N 3.39Å
210W94.1Very high94.3Very high113 Ų11371.3 Ų71.343%0.42841%0.411SS..EExtended strand (participates in β ladder)trans-145162.8171.97687.4000110.7F190F190-W210 HydrophobicContact CB-CD2 3.58Å; F190-W210 HydrophobicContact CB-CE3 3.97Å; F190-W210 HydrophobicContact CB-CG 4.16Å; F190-W210 HydrophobicContact CB-CH2 3.8Å; F190-W210 HydrophobicContact CB-CZ2 3.38Å; F190-W210 HydrophobicContact CB-CZ3 4.07Å; F190-W210 HydrophobicContact CD1-CH2 4.46Å; F190-W210 AromaticContact CD1-CZ2 3.73Å; F190-W210 HydrophobicContact CD1-CZ2 3.73Å; F190-W210 AromaticContact CD2-CD1 3.91Å; F190-W210 AromaticContact CD2-CE2 3.89Å; F190-W210 HydrophobicContact CD2-CZ2 4.32Å; F190-W210 AromaticContact CD2-NE1 3.35Å; F190-W210 VanDerWaalsContact CD2-NE1 3.35Å; F190-W210 HydrophobicContact CG-CD2 4.29Å; F190-W210 AromaticContact CG-CE2 3.49Å; F190-W210 VanDerWaalsContact CG-CE2 3.49Å; F190-W210 HydrophobicContact CG-CH2 4.36Å; F190-W210 AromaticContact CG-CZ2 3.54Å; F190-W210 HydrophobicContact CG-CZ2 3.54Å; F190-W210 AromaticContact CG-NE1 3.48Å; F190-W210 PolarHBondContact N-O 2.92Å; F190-W210 PolarHBondContact O-N 2.87Å
211T94.6Very high94.5Very high50 Ų5070.1 Ų70.131%0.30740%0.395SS..EExtended strand (participates in β ladder)trans-119.9133.8-179.6-53.50000109.1T188 G213 N214T188-T211 CarbonylContact O-C 3.59Å; T188-T211 WeakPolarHBondContact O-CA 3.21Å; T211-G213 PolarHBondContact O-N 2.85Å; T211-N214 PolarHBondContact O-N 3.16Å
212A91.4Very high94.6Very high55 Ų5565.6 Ų65.646%0.45538%0.376SS..THydrogen-bonded Turntrans-53.2137.1175.200000111.1T188 F190 N214T188-A212 PolarHBondContact O-N 2.82Å; F190-A212 HydrophobicContact CE2-CB 4.13Å; A212-N214 PolarHBondContact O-N 2.91Å
213G90.3Very high94.6Very high98 Ų9865 Ų65100%1.0138%0.378SS*.THydrogen-bonded Turntrans78.9-0-176.900000114.9T211T211-G213 PolarHBondContact O-N 2.85Å
214N89.3Confident94.7Very high81 Ų8165.6 Ų65.643%0.43338%0.379SS..  trans-119.3129.1173.1-165-29.6000110.2T211 A212 N216T211-N214 PolarHBondContact O-N 3.16Å; A212-N214 PolarHBondContact O-N 2.91Å; N214-N216 VanDerWaalsContact C-N 3.26Å; N214-N216 PolarHBondContact O-N 3.02Å; N214-N216 VanDerWaalsContact OD1-CB 3.27Å; N214-N216 WeakPolarHBondContact OD1-CB 3.49Å; N214-N216 PolarHBondContact OD1-N 2.92Å; N214-N216 PolarHBondContact OD1-ND2 2.9Å
215S86.5Confident94.7Very high115 Ų11568.9 Ų68.980%0.80439%0.388SS*.  trans-75.8-14.8177.557.40000113.3T217S215-T217 PolarHBondContact O-N 3.49Å
216N89.1Confident94.6Very high113 Ų11372.9 Ų72.960%0.60441%0.407SS*.PPolyproline II helixtrans-76.8119.6-178.1-65.5-52.2000110.9N214N214-N216 VanDerWaalsContact C-N 3.26Å; N214-N216 PolarHBondContact O-N 3.02Å; N214-N216 VanDerWaalsContact OD1-CB 3.27Å; N214-N216 WeakPolarHBondContact OD1-CB 3.49Å; N214-N216 PolarHBondContact OD1-N 2.92Å; N214-N216 PolarHBondContact OD1-ND2 2.9Å
217T91.8Very high94.5Very high66 Ų6674 Ų7441%0.40541%0.411SS..EExtended strand (participates in β ladder)trans-94.7139.6169.4-59.80000109.2L208 S215 N239L208-T217 HydrophobicContact CD2-CG2 4.18Å; S215-T217 PolarHBondContact O-N 3.49Å; T217-N239 PolarHBondContact O-ND2 2.79Å
218R94Very high94.5Very high179 Ų17974.2 Ų74.268%0.67541%0.412SS*.EExtended strand (participates in β ladder)trans-99.6128.9167.6-62.9175.8-173.9146.51.8108.1L208 A209L208-R218 CarbonylContact C-O 3.5Å; L208-R218 WeakPolarHBondContact CA-O 3.47Å; A209-R218 HydrophobicContact CB-CB 4.46Å; A209-R218 PolarHBondContact N-O 2.89Å; A209-R218 PolarHBondContact O-N 3.39Å
219F94.8Very high94.4Very high76 Ų7675.6 Ų75.633%0.33343%0.427SS..EExtended strand (participates in β ladder)trans-135.8138.4-177.3163.8-104.4000109.8V206 N207 L208 I221 N238 N239V206-F219 HydrophobicContact CG1-CD2 4.01Å; V206-F219 HydrophobicContact CG1-CE2 3.47Å; V206-F219 VanDerWaalsContact CG1-CE2 3.47Å; V206-F219 HydrophobicContact CG1-CZ 4.49Å; N207-F219 CarbonylContact O-C 3.55Å; N207-F219 WeakPolarHBondContact O-CA 3.48Å; L208-F219 HydrophobicContact CD2-CB 3.95Å; L208-F219 HydrophobicContact CD2-CD2 3.51Å; L208-F219 HydrophobicContact CD2-CE2 4.44Å; L208-F219 HydrophobicContact CD2-CG 4.17Å; L208-F219 HydrophobicContact CG-CD2 4.14Å; F219-I221 HydrophobicContact CE1-CD1 3.71Å; F219-I221 HydrophobicContact CE1-CG1 3.54Å; F219-I221 HydrophobicContact CE2-CG1 4Å; F219-I221 HydrophobicContact CZ-CD1 3.49Å; F219-I221 VanDerWaalsContact CZ-CD1 3.49Å; F219-I221 HydrophobicContact CZ-CG1 3.19Å; F219-N238 CarbonylContact O-C 3.53Å; F219-N238 WeakPolarHBondContact O-CA 3.36Å; F219-N238 VanDerWaalsContact O-CB 3.29Å; F219-N238 WeakPolarHBondContact O-CB 3.22Å; F219-N239 HydrophobicContact CB-CB 4.41Å; F219-N239 PolarHBondContact N-OD1 3.28Å; F219-N239 PolarHBondContact O-N 3.47Å; F219-N239 PolarHBondContact O-OD1 2.94Å
220G97.4Very high94.4Very high7 Ų777.4 Ų77.47%0.07243%0.432CS..EExtended strand (participates in β ladder)trans-139.3150.7173.100000112.4F18 V206 N207 V237F18-G220 WeakPolarHBondContact CZ-O 3.15Å; V206-G220 WeakPolarHBondContact CA-O 3.44Å; N207-G220 PolarHBondContact N-O 3.35Å; N207-G220 PolarHBondContact O-N 2.96Å; G220-V237 CarbonylContact C-O 3.53Å; G220-V237 WeakPolarHBondContact CA-O 3.29Å
221I98.1Very high94.5Very high76 Ų7672.1 Ų72.139%0.3941%0.412SS..EExtended strand (participates in β ladder)trans-121.6135.8171.9-50.8174.2000106.7F219 K236 V237F219-I221 HydrophobicContact CE1-CD1 3.71Å; F219-I221 HydrophobicContact CE1-CG1 3.54Å; F219-I221 HydrophobicContact CE2-CG1 4Å; F219-I221 HydrophobicContact CZ-CD1 3.49Å; F219-I221 VanDerWaalsContact CZ-CD1 3.49Å; F219-I221 HydrophobicContact CZ-CG1 3.19Å; I221-K236 CarbonylContact O-C 3.59Å; I221-K236 WeakPolarHBondContact O-CA 3.44Å; I221-K236 WeakPolarHBondContact O-CB 3.29Å; I221-V237 HydrophobicContact CB-CG2 4.13Å; I221-V237 PolarHBondContact N-O 3.24Å; I221-V237 PolarHBondContact O-N 3.28Å
222A98.3Very high94.7Very high1 Ų170.7 Ų70.71%0.00840%0.404CS..EExtended strand (participates in β ladder)trans-134.2150.2172.600000110.7V17 F18 T204 A205 A235 K236V17-A222 HydrophobicContact CG1-CB 3.77Å; F18-A222 HydrophobicContact CD1-CB 3.65Å; F18-A222 HydrophobicContact CD2-CB 3.94Å; F18-A222 HydrophobicContact CE1-CB 3.53Å; F18-A222 HydrophobicContact CE2-CB 3.83Å; F18-A222 HydrophobicContact CG-CB 3.84Å; F18-A222 HydrophobicContact CZ-CB 3.61Å; T204-A222 CarbonylContact C-O 3.58Å; T204-A222 WeakPolarHBondContact CA-O 3.29Å; A205-A222 PolarHBondContact N-O 2.74Å; A205-A222 PolarHBondContact O-N 3.21Å; A222-A235 CarbonylContact C-O 3.57Å; A222-A235 VanDerWaalsContact CA-O 3.28Å; A222-A235 WeakPolarHBondContact CA-O 3.31Å; A222-K236 HydrophobicContact CB-CB 3.66Å
223A98.2Very high95Very high32 Ų3272 Ų7226%0.26440%0.4SS..EExtended strand (participates in β ladder)trans-138.7141.4174.400000109.1L202 E203 T204 S234 A235L202-A223 HydrophobicContact CD1-CB 4.31Å; E203-A223 CarbonylContact O-C 3.52Å; E203-A223 WeakPolarHBondContact O-CA 3.17Å; T204-A223 HydrophobicContact CG2-CB 4.22Å; A223-S234 CarbonylContact O-C 3.51Å; A223-S234 WeakPolarHBondContact O-CA 3.46Å; A223-A235 PolarHBondContact N-O 3.36Å; A223-A235 PolarHBondContact O-N 3.44Å
224K98.1Very high95.4Very high69 Ų6967.4 Ų67.430%0.335%0.352SS..EExtended strand (participates in β ladder)trans-121.8121.1170.1-179.5-174.3174-159.80107.8V17 E203V17-K224 HydrophobicContact CG1-CB 4.3Å; E203-K224 PolarHBondContact N-O 2.93Å; E203-K224 PolarHBondContact O-N 2.79Å
225Y97.9Very high95.8Very high103 Ų10365 Ų6540%0.40434%0.344SS..EExtended strand (participates in β ladder)trans-116118.6-179.5-173.3-108.4000110K201 L202 I227 S232 F233K201-Y225 HydrophobicContact CB-CD2 4.49Å; K201-Y225 HydrophobicContact CB-CE2 4.09Å; K201-Y225 CarbonylContact O-C 3.52Å; K201-Y225 WeakPolarHBondContact O-CA 3.45Å; L202-Y225 HydrophobicContact CB-CD2 4.11Å; L202-Y225 HydrophobicContact CD1-CD2 4.1Å; Y225-I227 HydrophobicContact CD1-CG1 3.88Å; Y225-I227 HydrophobicContact CE1-CG1 4.15Å; Y225-I227 PolarHBondContact O-N 2.82Å; Y225-S232 CarbonylContact O-C 3.55Å; Y225-S232 WeakPolarHBondContact O-CA 3.42Å; Y225-F233 PolarHBondContact N-O 2.9Å; Y225-F233 PolarHBondContact O-N 3.06Å
226Q97.3Very high96.4Very high85 Ų8561.7 Ų61.740%0.39732%0.315SS..EExtended strand (participates in β ladder)trans-82.1110.1171-175.7172.20.500108.9K201 D228K201-Q226 HydrophobicContact CB-CB 4.4Å; K201-Q226 PolarHBondContact O-N 2.79Å; Q226-D228 WeakPolarHBondContact CG-O 3.49Å; Q226-D228 PolarHBondContact NE2-O 2.86Å
227I96.1Very high96.8Very high65 Ų6559.5 Ų59.533%0.33331%0.306SS..  trans-71.3-52.4-178.5-62167.4000108.3K201 Y225 A231 F233 Y247K201-I227 PolarHBondContact NZ-O 2.8Å; Y225-I227 HydrophobicContact CD1-CG1 3.88Å; Y225-I227 HydrophobicContact CE1-CG1 4.15Å; Y225-I227 PolarHBondContact O-N 2.82Å; I227-A231 HydrophobicContact CB-CB 4.15Å; I227-A231 HydrophobicContact CD1-CB 4.34Å; I227-A231 PolarHBondContact N-O 2.89Å; I227-F233 HydrophobicContact CD1-CB 4.12Å; I227-Y247 HydrophobicContact CD1-CD2 4.48Å; I227-Y247 HydrophobicContact CD1-CE2 3.76Å
228D95.3Very high97Very high75 Ų7559.2 Ų59.240%0.40130%0.301SS..SBendtrans-148.3-163.9178.35947.4000111.3Q226 D230 A231Q226-D228 WeakPolarHBondContact CG-O 3.49Å; Q226-D228 PolarHBondContact NE2-O 2.86Å; D228-D230 PolarHBondContact O-N 3.26Å; D228-D230 WeakPolarHBondContact OD1-CA 3.34Å; D228-D230 PolarHBondContact OD1-N 2.93Å; D228-A231 PolarHBondContact N-O 2.95Å; D228-A231 WeakPolarHBondContact OD1-CB 3.29Å; D228-A231 PolarHBondContact OD1-N 2.98Å
229S93.8Very high97Very high92 Ų9254.6 Ų54.664%0.64329%0.29SS*.SBendtrans-65.3-24.7179.5470000113.9
230D96.1Very high96.9Very high74 Ų7453.8 Ų53.840%0.39629%0.294SS..SBendtrans-117.9-13.5-168.5-67.7-57.3000113.4D228 Q249 N250D228-D230 PolarHBondContact O-N 3.26Å; D228-D230 WeakPolarHBondContact OD1-CA 3.34Å; D228-D230 PolarHBondContact OD1-N 2.93Å; D230-Q249 CarbonylContact O-C 3.55Å; D230-Q249 WeakPolarHBondContact O-CA 3.32Å; D230-Q249 PolarHBondContact O-NE2 2.79Å; D230-N250 HydrophobicContact CB-CB 4Å; D230-N250 PolarHBondContact O-N 3.28Å; D230-N250 PolarHBondContact OD1-ND2 2.84Å
231A97.1Very high96.7Very high3 Ų356 Ų563%0.02531%0.309CS..EExtended strand (participates in β ladder)trans-124.3137.9-177.600000112.8I227 D228 T248I227-A231 HydrophobicContact CB-CB 4.15Å; I227-A231 HydrophobicContact CD1-CB 4.34Å; I227-A231 PolarHBondContact N-O 2.89Å; D228-A231 PolarHBondContact N-O 2.95Å; D228-A231 WeakPolarHBondContact OD1-CB 3.29Å; D228-A231 PolarHBondContact OD1-N 2.98Å; A231-T248 CarbonylContact C-O 3.44Å; A231-T248 WeakPolarHBondContact CA-O 3.21Å
232S97.6Very high96.6Very high20 Ų2055.1 Ų55.114%0.1430%0.304CS..EExtended strand (participates in β ladder)trans-140.5146.8170.166.20000111.7Y225 T248Y225-S232 CarbonylContact O-C 3.55Å; Y225-S232 WeakPolarHBondContact O-CA 3.42Å; S232-T248 PolarHBondContact N-O 2.87Å; S232-T248 PolarHBondContact O-N 3Å
233F98Very high96.6Very high81 Ų8157.9 Ų57.936%0.35532%0.318SS..EExtended strand (participates in β ladder)trans-119.1130.9177.3-179.9-105.6000109.8Y225 I227 A235 L245 G246 Y247Y225-F233 PolarHBondContact N-O 2.9Å; Y225-F233 PolarHBondContact O-N 3.06Å; I227-F233 HydrophobicContact CD1-CB 4.12Å; F233-A235 HydrophobicContact CE1-CB 3.81Å; F233-A235 HydrophobicContact CZ-CB 4.29Å; F233-L245 HydrophobicContact CZ-CD2 4.01Å; F233-G246 CarbonylContact C-O 3.55Å; F233-G246 WeakPolarHBondContact CA-O 3.41Å; F233-G246 VanDerWaalsContact CD2-O 3.31Å; F233-G246 WeakPolarHBondContact CD2-O 3.3Å; F233-Y247 HydrophobicContact CD2-CD2 4.36Å
234S98.1Very high96.6Very high2 Ų256.4 Ų56.41%0.01431%0.306CS..EExtended strand (participates in β ladder)trans-119.6130.3177.3-57.50000109.3Y22 A223 L245 G246Y22-S234 VanDerWaalsContact OH-CB 3.26Å; Y22-S234 WeakPolarHBondContact OH-CB 3.44Å; Y22-S234 PolarHBondContact OH-O 3.49Å; A223-S234 CarbonylContact O-C 3.51Å; A223-S234 WeakPolarHBondContact O-CA 3.46Å; S234-L245 CarbonylContact O-C 3.53Å; S234-G246 PolarHBondContact N-O 3.04Å; S234-G246 PolarHBondContact O-N 3.11Å
235A98.3Very high96.6Very high31 Ų3155.9 Ų55.926%0.25631%0.306SS..EExtended strand (participates in β ladder)trans-129.6140.6175.600000110.2Y22 A222 A223 F233 G244 L245Y22-A235 WeakPolarHBondContact OH-CA 3.44Å; Y22-A235 PolarHBondContact OH-N 2.98Å; Y22-A235 VanDerWaalsContact OH-N 3.12Å; Y22-A235 PolarHBondContact OH-O 3.07Å; A222-A235 CarbonylContact C-O 3.57Å; A222-A235 VanDerWaalsContact CA-O 3.28Å; A222-A235 WeakPolarHBondContact CA-O 3.31Å; A223-A235 PolarHBondContact N-O 3.36Å; A223-A235 PolarHBondContact O-N 3.44Å; F233-A235 HydrophobicContact CE1-CB 3.81Å; F233-A235 HydrophobicContact CZ-CB 4.29Å; A235-G244 CarbonylContact C-O 3.54Å; A235-G244 VanDerWaalsContact CA-O 3.3Å; A235-G244 WeakPolarHBondContact CA-O 3.42Å; A235-L245 HydrophobicContact CB-CD2 4.24Å
236K98Very high96.6Very high45 Ų4551 Ų5120%0.19629%0.288CS..EExtended strand (participates in β ladder)trans-143.2148.1173.265.6-179.8173.9-176.60111.5F18 Y22 I221 A222 I243 G244F18-K236 HydrophobicContact CD1-CB 4.36Å; F18-K236 HydrophobicContact CD1-CD 4.09Å; F18-K236 HydrophobicContact CE1-CB 4.45Å; F18-K236 PolarHBondContact O-NZ 3.12Å; Y22-K236 HydrophobicContact CD2-CD 4.43Å; Y22-K236 HydrophobicContact CE1-CG 4.38Å; Y22-K236 HydrophobicContact CE2-CD 3.94Å; Y22-K236 HydrophobicContact CE2-CG 4.43Å; Y22-K236 PolarHBondContact OH-N 3.43Å; I221-K236 CarbonylContact O-C 3.59Å; I221-K236 WeakPolarHBondContact O-CA 3.44Å; I221-K236 WeakPolarHBondContact O-CB 3.29Å; A222-K236 HydrophobicContact CB-CB 3.66Å; K236-I243 CarbonylContact O-C 3.52Å; K236-I243 WeakPolarHBondContact O-CA 3.15Å; K236-G244 PolarHBondContact N-O 3.01Å; K236-G244 PolarHBondContact O-N 3Å
237V97.8Very high96.7Very high68 Ų6851.3 Ų51.341%0.41229%0.286SS..EExtended strand (participates in β ladder)trans-134.6152.4175.3-62.40000109.6G220 I221 L242 I243G220-V237 CarbonylContact C-O 3.53Å; G220-V237 WeakPolarHBondContact CA-O 3.29Å; I221-V237 HydrophobicContact CB-CG2 4.13Å; I221-V237 PolarHBondContact N-O 3.24Å; I221-V237 PolarHBondContact O-N 3.28Å; V237-L242 VanDerWaalsContact CA-O 3.3Å; V237-L242 WeakPolarHBondContact CA-O 3.41Å; V237-I243 HydrophobicContact CG1-CB 4.42Å; V237-I243 HydrophobicContact CG1-CG1 4.1Å; V237-I243 HydrophobicContact CG1-CG2 4.17Å
238N96.1Very high96.8Very high59 Ų5949 Ų4932%0.31628%0.275SS..EExtended strand (participates in β ladder)trans-132.5168170.673.713.6000112F219 S240 S241 L242F219-N238 CarbonylContact O-C 3.53Å; F219-N238 WeakPolarHBondContact O-CA 3.36Å; F219-N238 VanDerWaalsContact O-CB 3.29Å; F219-N238 WeakPolarHBondContact O-CB 3.22Å; N238-S240 PolarHBondContact O-N 2.92Å; N238-S240 VanDerWaalsContact O-N 3.12Å; N238-S240 WeakPolarHBondContact OD1-CA 3.33Å; N238-S240 WeakPolarHBondContact OD1-CB 3.49Å; N238-S240 PolarHBondContact OD1-N 3.23Å; N238-S241 PolarHBondContact O-N 2.84Å; N238-S241 PolarHBondContact OD1-N 3.27Å; N238-L242 PolarHBondContact N-O 3.02Å; N238-L242 VanDerWaalsContact N-O 3.15Å; N238-L242 WeakPolarHBondContact OD1-CB 3.36Å; N238-L242 PolarHBondContact OD1-N 2.99Å
239N93.6Very high96.9Very high83 Ų8347.8 Ų47.844%0.44427%0.267SS..THydrogen-bonded Turntrans-745.717973.6-38.8000114.5T217 F219 S241T217-N239 PolarHBondContact O-ND2 2.79Å; F219-N239 HydrophobicContact CB-CB 4.41Å; F219-N239 PolarHBondContact N-OD1 3.28Å; F219-N239 PolarHBondContact O-N 3.47Å; F219-N239 PolarHBondContact O-OD1 2.94Å; N239-S241 VanDerWaalsContact C-N 3.3Å
240S92.9Very high97Very high59 Ų5946 Ų4641%0.41325%0.25SC..THydrogen-bonded Turntrans-93.39.5164.7-58.10000112.2N238 L242N238-S240 PolarHBondContact O-N 2.92Å; N238-S240 VanDerWaalsContact O-N 3.12Å; N238-S240 WeakPolarHBondContact OD1-CA 3.33Å; N238-S240 WeakPolarHBondContact OD1-CB 3.49Å; N238-S240 PolarHBondContact OD1-N 3.23Å; S240-L242 VanDerWaalsContact C-N 3.27Å; S240-L242 PolarHBondContact O-N 3.22Å
241S94.2Very high96.9Very high54 Ų5446.8 Ų46.838%0.37825%0.253SS..  trans66.123.2-177.6-48.50000114N238 N239 G265N238-S241 PolarHBondContact O-N 2.84Å; N238-S241 PolarHBondContact OD1-N 3.27Å; N239-S241 VanDerWaalsContact C-N 3.3Å; S241-G265 VanDerWaalsContact O-CA 3.25Å; S241-G265 WeakPolarHBondContact O-CA 3.25Å; S241-G265 PolarHBondContact O-N 3.34Å
242L96.4Very high96.8Very high57 Ų5753.5 Ų53.530%0.29828%0.282SS..EExtended strand (participates in β ladder)trans-86.3131.5172.8-61.6178.3000110.2V237 N238 S240 L262 L263 D264V237-L242 VanDerWaalsContact CA-O 3.3Å; V237-L242 WeakPolarHBondContact CA-O 3.41Å; N238-L242 PolarHBondContact N-O 3.02Å; N238-L242 VanDerWaalsContact N-O 3.15Å; N238-L242 WeakPolarHBondContact OD1-CB 3.36Å; N238-L242 PolarHBondContact OD1-N 2.99Å; S240-L242 VanDerWaalsContact C-N 3.27Å; S240-L242 PolarHBondContact O-N 3.22Å; L242-L262 HydrophobicContact CB-CD1 4.23Å; L242-L263 WeakPolarHBondContact CA-O 3.39Å; L242-D264 HydrophobicContact CD2-CB 4.19Å
243I97.7Very high96.5Very high59 Ų5958.8 Ų58.830%0.30332%0.316SS..EExtended strand (participates in β ladder)trans-116.1115.1178.6-53.7173.9000108.2K236 V237 L245 L262 L263K236-I243 CarbonylContact O-C 3.52Å; K236-I243 WeakPolarHBondContact O-CA 3.15Å; V237-I243 HydrophobicContact CG1-CB 4.42Å; V237-I243 HydrophobicContact CG1-CG1 4.1Å; V237-I243 HydrophobicContact CG1-CG2 4.17Å; I243-L245 HydrophobicContact CG2-CD2 4.09Å; I243-L245 HydrophobicContact CG2-CG 4.33Å; I243-L262 CarbonylContact O-C 3.57Å; I243-L262 WeakPolarHBondContact O-CA 3.29Å; I243-L263 HydrophobicContact CB-CB 4.36Å; I243-L263 PolarHBondContact N-O 2.96Å; I243-L263 PolarHBondContact O-N 2.79Å
244G98Very high96.3Very high1 Ų156.4 Ų56.41%0.0131%0.314CS..EExtended strand (participates in β ladder)trans-102.5124.5175.900000111A235 K236 A261A235-G244 CarbonylContact C-O 3.54Å; A235-G244 VanDerWaalsContact CA-O 3.3Å; A235-G244 WeakPolarHBondContact CA-O 3.42Å; K236-G244 PolarHBondContact N-O 3.01Å; K236-G244 PolarHBondContact O-N 3Å; G244-A261 CarbonylContact C-O 3.6Å; G244-A261 WeakPolarHBondContact CA-O 3.19Å
245L98.4Very high96.2Very high57 Ų5758 Ų5830%0.29832%0.324SS..EExtended strand (participates in β ladder)trans-116.4141.6175.6-55.1178.1000109.2F233 S234 A235 I243 S260 A261 L263F233-L245 HydrophobicContact CZ-CD2 4.01Å; S234-L245 CarbonylContact O-C 3.53Å; A235-L245 HydrophobicContact CB-CD2 4.24Å; I243-L245 HydrophobicContact CG2-CD2 4.09Å; I243-L245 HydrophobicContact CG2-CG 4.33Å; L245-S260 CarbonylContact O-C 3.52Å; L245-S260 WeakPolarHBondContact O-CA 3.48Å; L245-S260 WeakPolarHBondContact O-CB 3.34Å; L245-A261 PolarHBondContact N-O 3.21Å; L245-A261 PolarHBondContact O-N 3.02Å; L245-L263 HydrophobicContact CD1-CD1 4.28Å
246G98.3Very high96.1Very high2 Ų259.5 Ų59.52%0.02132%0.324CS..EExtended strand (participates in β ladder)trans-143.9131.1178.300000109.8F233 S234 L259F233-G246 CarbonylContact C-O 3.55Å; F233-G246 WeakPolarHBondContact CA-O 3.41Å; F233-G246 VanDerWaalsContact CD2-O 3.31Å; F233-G246 WeakPolarHBondContact CD2-O 3.3Å; S234-G246 PolarHBondContact N-O 3.04Å; S234-G246 PolarHBondContact O-N 3.11Å; G246-L259 CarbonylContact C-O 3.58Å; G246-L259 VanDerWaalsContact CA-O 3.31Å; G246-L259 WeakPolarHBondContact CA-O 3.2Å
247Y98.4Very high96.1Very high90 Ų9059.4 Ų59.435%0.35333%0.326SS..EExtended strand (participates in β ladder)trans-124.6125173.2-175.2-97.9000108.4I227 F233 Q249 T258 L259I227-Y247 HydrophobicContact CD1-CD2 4.48Å; I227-Y247 HydrophobicContact CD1-CE2 3.76Å; F233-Y247 HydrophobicContact CD2-CD2 4.36Å; Y247-Q249 HydrophobicContact CD1-CB 4.45Å; Y247-Q249 HydrophobicContact CE1-CB 3.8Å; Y247-Q249 PolarHBondContact OH-OE1 2.82Å; Y247-T258 CarbonylContact O-C 3.55Å; Y247-T258 WeakPolarHBondContact O-CA 3.46Å; Y247-L259 PolarHBondContact N-O 3.36Å; Y247-L259 PolarHBondContact O-N 2.83Å
248T98Very high96.1Very high16 Ų1657.3 Ų57.310%0.09831%0.313CS..EExtended strand (participates in β ladder)trans-120.3128.4179.4-56.10000109.1A231 S232 K256 L257A231-T248 CarbonylContact C-O 3.44Å; A231-T248 WeakPolarHBondContact CA-O 3.21Å; S232-T248 PolarHBondContact N-O 2.87Å; S232-T248 PolarHBondContact O-N 3Å; T248-K256 HydrophobicContact CG2-CD 3.62Å; T248-K256 HydrophobicContact CG2-CG 3.59Å; T248-L257 CarbonylContact C-O 3.56Å; T248-L257 WeakPolarHBondContact CA-O 3.25Å
249Q97.7Very high96.2Very high51 Ų5158.3 Ų58.324%0.23832%0.318CS..EExtended strand (participates in β ladder)trans-130128.7-179.5-17669.455.300110.2D230 Y247 I251 K256 L257D230-Q249 CarbonylContact O-C 3.55Å; D230-Q249 WeakPolarHBondContact O-CA 3.32Å; D230-Q249 PolarHBondContact O-NE2 2.79Å; Y247-Q249 HydrophobicContact CD1-CB 4.45Å; Y247-Q249 HydrophobicContact CE1-CB 3.8Å; Y247-Q249 PolarHBondContact OH-OE1 2.82Å; Q249-I251 HydrophobicContact CG-CG1 4.49Å; Q249-I251 PolarHBondContact O-N 3.48Å; Q249-K256 WeakPolarHBondContact O-CA 3.37Å; Q249-L257 PolarHBondContact N-O 2.92Å; Q249-L257 PolarHBondContact O-N 3.24Å
250N96.6Very high96.4Very high53 Ų5354.7 Ų54.728%0.28330%0.3SS..EExtended strand (participates in β ladder)trans-77.4112.5161.2-58.8-31.8000107.5D230 V255D230-N250 HydrophobicContact CB-CB 4Å; D230-N250 PolarHBondContact O-N 3.28Å; D230-N250 PolarHBondContact OD1-ND2 2.84Å; N250-V255 CarbonylContact C-O 3.5Å; N250-V255 WeakPolarHBondContact CA-O 3.4Å
251I94.8Very high96.6Very high92 Ų9252.9 Ų52.947%0.47229%0.288SS..EExtended strand (participates in β ladder)trans-81.8-40.9-178.9-60.1177.3000109.9Q249 V255 L257Q249-I251 HydrophobicContact CG-CG1 4.49Å; Q249-I251 PolarHBondContact O-N 3.48Å; I251-V255 HydrophobicContact CB-CG1 4.47Å; I251-V255 PolarHBondContact N-O 2.86Å; I251-L257 HydrophobicContact CD1-CB 3.55Å; I251-L257 HydrophobicContact CD1-CD2 3.98Å; I251-L257 HydrophobicContact CD1-CG 4.38Å; I251-L257 HydrophobicContact CG1-CB 4.05Å
252K93.3Very high96.8Very high144 Ų14451.9 Ų51.963%0.62628%0.278SS*.EExtended strand (participates in β ladder)trans-144.5162.8176.4-74.3-63.8-177.6-179.90108.7G254 V255K252-G254 PolarHBondContact O-N 2.74Å; K252-G254 VanDerWaalsContact O-N 3.15Å; K252-V255 HydrophobicContact CB-CB 4.25Å; K252-V255 HydrophobicContact CB-CG2 4.26Å; K252-V255 PolarHBondContact O-N 2.99Å
253P92.7Very high96.8Very high130 Ų13051 Ų5184%0.84427%0.274SS*.THydrogen-bonded Turntrans-50.5123.7167.4-26.435.6000110.1V255P253-V255 VanDerWaalsContact C-N 3.32Å; P253-V255 PolarHBondContact O-N 3.05Å
254G92.3Very high96.7Very high32 Ų3250 Ų5033%0.3327%0.269SS..THydrogen-bonded Turntrans790.9-177.200000115.9K252 F281 Q282K252-G254 PolarHBondContact O-N 2.74Å; K252-G254 VanDerWaalsContact O-N 3.15Å; G254-F281 CarbonylContact O-C 3.58Å; G254-F281 VanDerWaalsContact O-CA 3.26Å; G254-F281 WeakPolarHBondContact O-CA 3.25Å; G254-Q282 VanDerWaalsContact CA-O 3.3Å; G254-Q282 WeakPolarHBondContact CA-O 3.45Å; G254-Q282 PolarHBondContact O-N 3Å
255V96.1Very high96.5Very high34 Ų3451.4 Ų51.421%0.20628%0.284CS..EExtended strand (participates in β ladder)trans-123.8116.5177.6-1740000110.6N250 I251 K252 P253 E280 F281N250-V255 CarbonylContact C-O 3.5Å; N250-V255 WeakPolarHBondContact CA-O 3.4Å; I251-V255 HydrophobicContact CB-CG1 4.47Å; I251-V255 PolarHBondContact N-O 2.86Å; K252-V255 HydrophobicContact CB-CB 4.25Å; K252-V255 HydrophobicContact CB-CG2 4.26Å; K252-V255 PolarHBondContact O-N 2.99Å; P253-V255 VanDerWaalsContact C-N 3.32Å; P253-V255 PolarHBondContact O-N 3.05Å; V255-E280 WeakPolarHBondContact CA-O 3.42Å; V255-F281 HydrophobicContact CG1-CD1 4.23Å; V255-F281 HydrophobicContact CG1-CE1 3.91Å; V255-F281 HydrophobicContact CG1-CZ 4.37Å; V255-F281 HydrophobicContact CG2-CD1 3.81Å; V255-F281 HydrophobicContact CG2-CE1 4.01Å
256K97Very high96.2Very high63 Ų6355.8 Ų55.827%0.27430%0.3SS..EExtended strand (participates in β ladder)trans-121.5127.4-179.3-177.6-168.3-61.7153.70110.9T248 Q249 L279 E280T248-K256 HydrophobicContact CG2-CD 3.62Å; T248-K256 HydrophobicContact CG2-CG 3.59Å; Q249-K256 WeakPolarHBondContact O-CA 3.37Å; K256-L279 WeakPolarHBondContact O-CA 3.31Å; K256-E280 HydrophobicContact CB-CB 4.27Å; K256-E280 PolarHBondContact N-O 3.46Å; K256-E280 IonicContact NZ-OE2 2.87Å; K256-E280 PolarHBondContact NZ-OE2 2.77Å; K256-E280 PolarHBondContact O-N 2.91Å
257L97.8Very high95.9Very high43 Ų4359.1 Ų59.123%0.22532%0.318CS..EExtended strand (participates in β ladder)trans-104.9132.2172.9171.467.1000109.5T248 Q249 I251 L259 V277 G278 L279T248-L257 CarbonylContact C-O 3.56Å; T248-L257 WeakPolarHBondContact CA-O 3.25Å; Q249-L257 PolarHBondContact N-O 2.92Å; Q249-L257 PolarHBondContact O-N 3.24Å; I251-L257 HydrophobicContact CD1-CB 3.55Å; I251-L257 HydrophobicContact CD1-CD2 3.98Å; I251-L257 HydrophobicContact CD1-CG 4.38Å; I251-L257 HydrophobicContact CG1-CB 4.05Å; L257-L259 HydrophobicContact CD1-CD2 4.05Å; L257-L259 HydrophobicContact CD2-CD2 4.5Å; L257-L259 HydrophobicContact CD2-CG 4.46Å; L257-L259 HydrophobicContact CG-CD2 4.38Å; L257-L259 HydrophobicContact CG-CG 4.37Å; L257-V277 HydrophobicContact CD1-CG1 4.03Å; L257-G278 CarbonylContact C-O 3.56Å; L257-G278 WeakPolarHBondContact CA-O 3.39Å; L257-L279 HydrophobicContact CB-CD2 4.15Å; L257-L279 HydrophobicContact CD1-CD2 3.66Å; L257-L279 HydrophobicContact CD1-CG 4.25Å; L257-L279 HydrophobicContact CG-CD2 4.5Å
258T98Very high95.6Very high24 Ų2459.1 Ų59.115%0.14732%0.323CS..EExtended strand (participates in β ladder)trans-120.5124.7171.5-55.60000109.2Y247 V277 G278Y247-T258 CarbonylContact O-C 3.55Å; Y247-T258 WeakPolarHBondContact O-CA 3.46Å; T258-V277 CarbonylContact O-C 3.55Å; T258-V277 WeakPolarHBondContact O-CA 3.27Å; T258-G278 PolarHBondContact N-O 3.41Å; T258-G278 PolarHBondContact O-N 2.8Å
259L98.2Very high95.2Very high80 Ų8066 Ų6642%0.41936%0.359SS..EExtended strand (participates in β ladder)trans-107.9136.7169.8-59.1177.5000108.1G246 Y247 L257 V277G246-L259 CarbonylContact C-O 3.58Å; G246-L259 VanDerWaalsContact CA-O 3.31Å; G246-L259 WeakPolarHBondContact CA-O 3.2Å; Y247-L259 PolarHBondContact N-O 3.36Å; Y247-L259 PolarHBondContact O-N 2.83Å; L257-L259 HydrophobicContact CD1-CD2 4.05Å; L257-L259 HydrophobicContact CD2-CD2 4.5Å; L257-L259 HydrophobicContact CD2-CG 4.46Å; L257-L259 HydrophobicContact CG-CD2 4.38Å; L257-L259 HydrophobicContact CG-CG 4.37Å; L259-V277 HydrophobicContact CD2-CG1 4.3Å; L259-V277 HydrophobicContact CD2-CG2 4.09Å
260S97.9Very high94.6Very high8 Ų868.8 Ų68.86%0.05638%0.38CS..EExtended strand (participates in β ladder)trans-142146.1178.162.40000112.1G23 L245 L275 G276G23-S260 PolarHBondContact N-OG 3.34Å; L245-S260 CarbonylContact O-C 3.52Å; L245-S260 WeakPolarHBondContact O-CA 3.48Å; L245-S260 WeakPolarHBondContact O-CB 3.34Å; S260-L275 CarbonylContact O-C 3.5Å; S260-L275 WeakPolarHBondContact O-CA 3.39Å; S260-G276 PolarHBondContact N-O 3.44Å; S260-G276 PolarHBondContact O-N 3.19Å; S260-G276 PolarHBondContact OG-O 3.34Å
261A97.6Very high94.1Very high20 Ų2067.5 Ų67.517%0.16538%0.379CS..EExtended strand (participates in β ladder)trans-137.7130.5178.800000110.1F24 G244 L245 L263 K274 L275F24-A261 VanDerWaalsContact CE1-O 3.25Å; F24-A261 WeakPolarHBondContact CE1-O 3.37Å; G244-A261 CarbonylContact C-O 3.6Å; G244-A261 WeakPolarHBondContact CA-O 3.19Å; L245-A261 PolarHBondContact N-O 3.21Å; L245-A261 PolarHBondContact O-N 3.02Å; A261-L263 HydrophobicContact CB-CD2 4.45Å; A261-K274 CarbonylContact C-O 3.54Å; A261-K274 VanDerWaalsContact CA-O 3.31Å; A261-K274 WeakPolarHBondContact CA-O 3.35Å; A261-L275 HydrophobicContact CB-CD2 3.7Å
262L97.8Very high93.7Very high33 Ų3366.7 Ų66.717%0.17339%0.393CS..EExtended strand (participates in β ladder)trans-109.2112.9169.6-175.168.2000108.2F24 L242 I243 H273 K274F24-L262 HydrophobicContact CB-CB 4.17Å; F24-L262 HydrophobicContact CD1-CB 3.72Å; F24-L262 HydrophobicContact CD2-CB 3.94Å; F24-L262 HydrophobicContact CD2-CD1 4.26Å; F24-L262 HydrophobicContact CD2-CD2 4.14Å; F24-L262 HydrophobicContact CD2-CG 4.35Å; F24-L262 HydrophobicContact CE1-CB 3.99Å; F24-L262 HydrophobicContact CE2-CB 4.18Å; F24-L262 HydrophobicContact CE2-CD1 3.89Å; F24-L262 HydrophobicContact CE2-CG 4.45Å; F24-L262 HydrophobicContact CG-CB 3.69Å; F24-L262 HydrophobicContact CG-CD2 4.49Å; F24-L262 HydrophobicContact CZ-CB 4.21Å; F24-L262 HydrophobicContact CZ-CD1 4.16Å; L242-L262 HydrophobicContact CB-CD1 4.23Å; I243-L262 CarbonylContact O-C 3.57Å; I243-L262 WeakPolarHBondContact O-CA 3.29Å; L262-H273 CarbonylContact O-C 3.6Å; L262-H273 VanDerWaalsContact O-CA 3.22Å; L262-H273 WeakPolarHBondContact O-CA 3Å; L262-K274 HydrophobicContact CB-CB 4.17Å; L262-K274 HydrophobicContact CD2-CD 4.49Å; L262-K274 PolarHBondContact N-O 3.16Å; L262-K274 PolarHBondContact O-N 2.98Å
263L96.6Very high93.8Very high40 Ų4062.9 Ų62.921%0.20938%0.377CS..EExtended strand (participates in β ladder)trans-101.4134.4-179.7-50.5178.3000109.3L242 I243 L245 A261 H273L242-L263 WeakPolarHBondContact CA-O 3.39Å; I243-L263 HydrophobicContact CB-CB 4.36Å; I243-L263 PolarHBondContact N-O 2.96Å; I243-L263 PolarHBondContact O-N 2.79Å; L245-L263 HydrophobicContact CD1-CD1 4.28Å; A261-L263 HydrophobicContact CB-CD2 4.45Å; L263-H273 HydrophobicContact CD2-CB 3.92Å
264D95.3Very high93.9Very high36 Ų3660 Ų6019%0.19335%0.352CS..EExtended strand (participates in β ladder)trans-88.7105.9169.5-177.5-6.4000108.4L242 K266 N267 I268 H273L242-D264 HydrophobicContact CD2-CB 4.19Å; D264-K266 PolarHBondContact O-N 2.71Å; D264-K266 WeakPolarHBondContact OD1-CB 3.31Å; D264-K266 PolarHBondContact OD1-N 2.93Å; D264-N267 HydrophobicContact CB-CB 4.21Å; D264-N267 CarbonylContact O-C 3.58Å; D264-N267 VanDerWaalsContact O-C 3.26Å; D264-N267 PolarHBondContact O-N 2.86Å; D264-N267 PolarHBondContact OD2-ND2 2.79Å; D264-I268 WeakPolarHBondContact O-CA 3.07Å; D264-I268 PolarHBondContact O-N 2.75Å; D264-H273 PolarHBondContact N-ND1 3.17Å
265G92.8Very high94.1Very high32 Ų3264.1 Ų64.133%0.3337%0.365SS..THydrogen-bonded Turntrans-65.9-19.7-179.100000113.9S241S241-G265 VanDerWaalsContact O-CA 3.25Å; S241-G265 WeakPolarHBondContact O-CA 3.25Å; S241-G265 PolarHBondContact O-N 3.34Å
266K92.8Very high94.2Very high149 Ų14962.7 Ų62.765%0.64836%0.357SS*.THydrogen-bonded Turntrans-77.6-26.5172.1-66.1178.6-176.9-179.80112D264D264-K266 PolarHBondContact O-N 2.71Å; D264-K266 WeakPolarHBondContact OD1-CB 3.31Å; D264-K266 PolarHBondContact OD1-N 2.93Å
267N93.1Very high94.2Very high72 Ų7262.3 Ų62.339%0.38536%0.36SS..SBendtrans-122.831.1-172.8-68.9-56.8000112.4D264 N269 T270 G271D264-N267 HydrophobicContact CB-CB 4.21Å; D264-N267 CarbonylContact O-C 3.58Å; D264-N267 VanDerWaalsContact O-C 3.26Å; D264-N267 PolarHBondContact O-N 2.86Å; D264-N267 PolarHBondContact OD2-ND2 2.79Å; N267-N269 PolarHBondContact O-N 3.03Å; N267-N269 VanDerWaalsContact O-N 3.11Å; N267-T270 WeakPolarHBondContact CA-OG1 3Å; N267-T270 VanDerWaalsContact CB-OG1 3.28Å; N267-T270 WeakPolarHBondContact CB-OG1 3.47Å; N267-T270 PolarHBondContact O-N 3.04Å; N267-T270 PolarHBondContact O-OG1 3.44Å; N267-T270 PolarHBondContact OD1-OG1 3.45Å; N267-G271 PolarHBondContact O-N 2.87Å
268I90.8Very high94.2Very high90 Ų9061 Ų6146%0.46236%0.357SS..THydrogen-bonded Turntrans-60.8-28.7-172.6-159167.2000113.4D264 H273D264-I268 WeakPolarHBondContact O-CA 3.07Å; D264-I268 PolarHBondContact O-N 2.75Å; I268-H273 PolarHBondContact O-NE2 2.81Å
269N90Very high94.1Very high159 Ų15962.7 Ų62.785%0.8537%0.365SS*.THydrogen-bonded Turntrans-90.4-15.5179.4-62.9-32.8000113.3N267N267-N269 PolarHBondContact O-N 3.03Å; N267-N269 VanDerWaalsContact O-N 3.11Å
270T85.9Confident94.1Very high111 Ų11160.4 Ų60.468%0.68135%0.353SS*.THydrogen-bonded Turntrans-111.7-11.5-170.451.50000113.1N267N267-T270 WeakPolarHBondContact CA-OG1 3Å; N267-T270 VanDerWaalsContact CB-OG1 3.28Å; N267-T270 WeakPolarHBondContact CB-OG1 3.47Å; N267-T270 PolarHBondContact O-N 3.04Å; N267-T270 PolarHBondContact O-OG1 3.44Å; N267-T270 PolarHBondContact OD1-OG1 3.45Å
271G85.9Confident93.9Very high25 Ų2563.9 Ų63.926%0.25837%0.367SS..  trans104.8-143.4171.800000113.6N267 H273N267-G271 PolarHBondContact O-N 2.87Å; G271-H273 VanDerWaalsContact C-N 3.27Å; G271-H273 PolarHBondContact O-CE1 3.38Å; G271-H273 VanDerWaalsContact O-CE1 3.24Å; G271-H273 PolarHBondContact O-N 3.41Å; G271-H273 PolarHBondContact O-ND1 2.93Å
272G86.3Confident93.6Very high75 Ų7568.9 Ų68.977%0.77339%0.387SS*.  trans74.717.1-172.200000113.9
273H94.5Very high93Very high64 Ų6472.7 Ų72.730%0.29642%0.423SS..PPolyproline II helixtrans-82.6137.7179.6-54.5-20.7000110.7L262 L263 D264 I268 G271L262-H273 CarbonylContact O-C 3.6Å; L262-H273 VanDerWaalsContact O-CA 3.22Å; L262-H273 WeakPolarHBondContact O-CA 3Å; L263-H273 HydrophobicContact CD2-CB 3.92Å; D264-H273 PolarHBondContact N-ND1 3.17Å; I268-H273 PolarHBondContact O-NE2 2.81Å; G271-H273 VanDerWaalsContact C-N 3.27Å; G271-H273 PolarHBondContact O-CE1 3.38Å; G271-H273 VanDerWaalsContact O-CE1 3.24Å; G271-H273 PolarHBondContact O-N 3.41Å; G271-H273 PolarHBondContact O-ND1 2.93Å
274K95.8Very high92.8Very high71 Ų7174.3 Ų74.331%0.30943%0.433SS..EExtended strand (participates in β ladder)trans-102.4124.5177.7-53.7-166.6-176.1-136.30109.8F24 E50 A261 L262F24-K274 HydrophobicContact CB-CB 4.08Å; E50-K274 VanDerWaalsContact OE1-CD 3.31Å; E50-K274 WeakPolarHBondContact OE1-CD 3.31Å; E50-K274 WeakPolarHBondContact OE1-CE 3.5Å; E50-K274 IonicContact OE1-NZ 3.85Å; E50-K274 PolarHBondContact OE1-NZ 3.36Å; E50-K274 IonicContact OE2-NZ 3.2Å; E50-K274 PolarHBondContact OE2-NZ 2.88Å; A261-K274 CarbonylContact C-O 3.54Å; A261-K274 VanDerWaalsContact CA-O 3.31Å; A261-K274 WeakPolarHBondContact CA-O 3.35Å; L262-K274 HydrophobicContact CB-CB 4.17Å; L262-K274 HydrophobicContact CD2-CD 4.49Å; L262-K274 PolarHBondContact N-O 3.16Å; L262-K274 PolarHBondContact O-N 2.98Å
275L96.4Very high92.7Very high117 Ų11776.3 Ų76.361%0.61345%0.446SS*.EExtended strand (participates in β ladder)trans-102.8147.5173.1-59.3-179.5000109.8G25 S260 A261G25-L275 WeakPolarHBondContact CA-O 3.45Å; G25-L275 PolarHBondContact N-O 3.22Å; S260-L275 CarbonylContact O-C 3.5Å; S260-L275 WeakPolarHBondContact O-CA 3.39Å; A261-L275 HydrophobicContact CB-CD2 3.7Å
276G96.9Very high92.7Very high4 Ų478.8 Ų78.84%0.04145%0.452CS..EExtended strand (participates in β ladder)trans-142.7140.2-177.500000111.6G23 L26 S260G23-G276 WeakPolarHBondContact O-CA 3.4Å; L26-G276 CarbonylContact O-C 3.46Å; L26-G276 VanDerWaalsContact O-CA 3.25Å; L26-G276 WeakPolarHBondContact O-CA 3.37Å; S260-G276 PolarHBondContact N-O 3.44Å; S260-G276 PolarHBondContact O-N 3.19Å; S260-G276 PolarHBondContact OG-O 3.34Å
277V97.9Very high92.7Very high55 Ų5574.6 Ų74.633%0.33344%0.441SS..EExtended strand (participates in β ladder)trans-129.2128.4178-178.30000108.2L26 I27 K28 L257 T258 L259L26-V277 PolarHBondContact O-N 2.93Å; I27-V277 CarbonylContact C-O 3.53Å; I27-V277 WeakPolarHBondContact CA-O 3.28Å; K28-V277 PolarHBondContact N-O 3.38Å; L257-V277 HydrophobicContact CD1-CG1 4.03Å; T258-V277 CarbonylContact O-C 3.55Å; T258-V277 WeakPolarHBondContact O-CA 3.27Å; L259-V277 HydrophobicContact CD2-CG1 4.3Å; L259-V277 HydrophobicContact CD2-CG2 4.09Å
278G97.4Very high92.7Very high16 Ų1674.8 Ų74.817%0.16544%0.444CS..EExtended strand (participates in β ladder)trans-121.9128.3174.900000110.4K28 L257 T258K28-G278 CarbonylContact O-C 3.49Å; K28-G278 WeakPolarHBondContact O-CA 3.44Å; L257-G278 CarbonylContact C-O 3.56Å; L257-G278 WeakPolarHBondContact CA-O 3.39Å; T258-G278 PolarHBondContact N-O 3.41Å; T258-G278 PolarHBondContact O-N 2.8Å
279L97Very high92.8Very high60 Ų6073.8 Ų73.831%0.31444%0.443SS..EExtended strand (participates in β ladder)trans-117.7121.1170.5-74.9169.8000108.5K28 L29 D30 K256 L257 F281K28-L279 PolarHBondContact O-N 3.05Å; L29-L279 CarbonylContact C-O 3.55Å; L29-L279 WeakPolarHBondContact CA-O 3.41Å; L29-L279 HydrophobicContact CD1-CB 3.86Å; D30-L279 PolarHBondContact N-O 3.46Å; K256-L279 WeakPolarHBondContact O-CA 3.31Å; L257-L279 HydrophobicContact CB-CD2 4.15Å; L257-L279 HydrophobicContact CD1-CD2 3.66Å; L257-L279 HydrophobicContact CD1-CG 4.25Å; L257-L279 HydrophobicContact CG-CD2 4.5Å; L279-F281 HydrophobicContact CB-CE2 4Å
280E96.6Very high93Very high32 Ų3267.7 Ų67.715%0.1541%0.414CS..EExtended strand (participates in β ladder)trans-116123.5176.2-179.7-177.5-168.500108.6D30 K32 V255 K256D30-E280 HydrophobicContact CB-CB 4.35Å; D30-E280 HydrophobicContact CB-CG 4.26Å; D30-E280 CarbonylContact O-C 3.58Å; D30-E280 WeakPolarHBondContact O-CA 3.3Å; K32-E280 WeakPolarHBondContact CE-OE1 3.39Å; K32-E280 IonicContact NZ-OE1 2.74Å; K32-E280 PolarHBondContact NZ-OE1 3.04Å; V255-E280 WeakPolarHBondContact CA-O 3.42Å; K256-E280 HydrophobicContact CB-CB 4.27Å; K256-E280 PolarHBondContact N-O 3.46Å; K256-E280 IonicContact NZ-OE2 2.87Å; K256-E280 PolarHBondContact NZ-OE2 2.77Å; K256-E280 PolarHBondContact O-N 2.91Å
281F95.4Very high93.5Very high80 Ų8064.4 Ų64.435%0.35139%0.394SS..EExtended strand (participates in β ladder)trans-109.9131.1171.4-60.5-100.2000108.7L29 D30 L31 K32 G254 V255 L279L29-F281 HydrophobicContact CD1-CD2 3.73Å; L29-F281 HydrophobicContact CD1-CE2 3.45Å; L29-F281 VanDerWaalsContact CD1-CE2 3.45Å; D30-F281 PolarHBondContact O-N 3.28Å; L31-F281 HydrophobicContact CD2-CB 3.63Å; L31-F281 HydrophobicContact CD2-CD2 3.54Å; L31-F281 HydrophobicContact CD2-CE2 4.45Å; L31-F281 HydrophobicContact CD2-CG 3.77Å; K32-F281 PolarHBondContact N-O 3.22Å; G254-F281 CarbonylContact O-C 3.58Å; G254-F281 VanDerWaalsContact O-CA 3.26Å; G254-F281 WeakPolarHBondContact O-CA 3.25Å; V255-F281 HydrophobicContact CG1-CD1 4.23Å; V255-F281 HydrophobicContact CG1-CE1 3.91Å; V255-F281 HydrophobicContact CG1-CZ 4.37Å; V255-F281 HydrophobicContact CG2-CD1 3.81Å; V255-F281 HydrophobicContact CG2-CE1 4.01Å; L279-F281 HydrophobicContact CB-CE2 4Å
282Q91.5Very high94.2Very high126 Ų12667.7 Ų67.759%0.58941%0.405SS*.EExtended strand (participates in β ladder)trans-128.3123.4179.2-171.8174.42.900108.9K32 G254K32-Q282 WeakPolarHBondContact O-CA 3.27Å; G254-Q282 VanDerWaalsContact CA-O 3.3Å; G254-Q282 WeakPolarHBondContact CA-O 3.45Å; G254-Q282 PolarHBondContact O-N 3Å
283A84.4Confident94.9Very high112 Ų11267 Ų6793%0.92637%0.371SS*.  trans-126.60174.900000110.6K32 T33 K34K32-A283 PolarHBondContact O-N 3.23Å; T33-A283 CarbonylContact C-O 3.44Å; T33-A283 VanDerWaalsContact CA-O 3.29Å; T33-A283 WeakPolarHBondContact CA-O 3.05Å; T33-A283 HydrophobicContact CG2-CB 4.43Å; K34-A283 PolarHBondContact N-O 3.13Å

Retrieved 283 of 283 residues in 394.1 ms (Link to these results)