A0A096NAT2_PAPAN 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 (P21796), UniProt , Accession A0A096NAT2, Species PAPAN (Papio anubis, Olive baboon), Gene VDAC1, 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
1M58.2Low89.6Confident134 Ų13447.7 Ų47.766%0.6630%0.298SS*.  0165.20-92174.4163.400110.2E121 H122M1-E121 PolarHBondContact N-OE1 2.96Å; M1-H122 PolarHBondContact SD-CE1 3.1Å
2A83.1Confident90.1Very high85 Ų8550.8 Ų50.870%0.70230%0.304SS*.PPolyproline II helixtrans-70.8137.6-168.700000113.5
3V89.8Confident90.5Very high69 Ų6949.1 Ų49.142%0.41830%0.296SS..PPolyproline II helixtrans-71.3124.9169.2175.90000108.3K119V3-K119 HydrophobicContact CG1-CB 3.63Å; V3-K119 HydrophobicContact CG1-CD 4.3Å; V3-K119 HydrophobicContact CG1-CG 4.03Å
4P93.2Very high90.9Very high6 Ų645.8 Ų45.84%0.03928%0.277CS..PPolyproline II helixtrans-66.7153.8178.124.2-29.1000111.6N124 V143 L150P4-N124 HydrophobicContact CB-CB 4.5Å; P4-N124 HydrophobicContact CG-CB 3.9Å; P4-N124 WeakPolarHBondContact O-CB 3.43Å; P4-N124 PolarHBondContact O-ND2 3.21Å; P4-V143 HydrophobicContact CB-CB 4.48Å; P4-V143 HydrophobicContact CB-CG1 3.91Å; P4-L150 HydrophobicContact CB-CD2 4.01Å
5P94.3Very high91.2Very high36 Ų3650.8 Ų50.823%0.23429%0.289CS..PPolyproline II helixtrans-67.2168.8177.131.9-37000111.5D9 L10 N124 L150P5-D9 HydrophobicContact CB-CB 3.82Å; P5-L10 HydrophobicContact CG-CD2 3.9Å; P5-N124 VanDerWaalsContact C-ND2 3.31Å; P5-N124 PolarHBondContact O-ND2 3.17Å; P5-L150 HydrophobicContact CG-CD1 4.24Å
6T95.1Very high91.6Very high55 Ų5550.1 Ų50.134%0.33728%0.284SS..PPolyproline II helixtrans-66.6159.5167.671.10000110.2A8 D9 L10 N124T6-A8 PolarHBondContact O-N 3.41Å; T6-D9 PolarHBondContact O-N 2.88Å; T6-D9 PolarHBondContact OG1-N 2.85Å; T6-D9 PolarHBondContact OG1-OD2 3.31Å; T6-L10 PolarHBondContact O-N 3.44Å; T6-N124 PolarHBondContact N-ND2 3.04Å
7Y95.1Very high91.9Very high26 Ų2647.3 Ų47.310%0.10227%0.268CS..G310 helixtrans-55.5-40.4177.2-174.2-86.3000112.1D9 L10 V143 Q154 N168 A170Y7-D9 PolarHBondContact O-N 2.81Å; Y7-L10 HydrophobicContact CD2-CD1 3.9Å; Y7-L10 HydrophobicContact CE2-CD1 4.19Å; Y7-L10 HydrophobicContact CG-CD1 4.37Å; Y7-L10 WeakPolarHBondContact O-CB 3.49Å; Y7-L10 WeakPolarHBondContact O-CG 3.47Å; Y7-L10 PolarHBondContact O-N 3.39Å; Y7-L10 VanDerWaalsContact O-N 3.13Å; Y7-V143 HydrophobicContact CD2-CG2 4.4Å; Y7-Q154 HydrophobicContact CD1-CB 3.64Å; Y7-Q154 HydrophobicContact CD1-CG 4.2Å; Y7-Q154 HydrophobicContact CD2-CB 3.91Å; Y7-Q154 HydrophobicContact CE1-CB 3.61Å; Y7-Q154 HydrophobicContact CE1-CG 4.34Å; Y7-Q154 HydrophobicContact CE2-CB 3.88Å; Y7-Q154 HydrophobicContact CG-CB 3.8Å; Y7-N168 HydrophobicContact CE1-CB 4.26Å; Y7-N168 WeakPolarHBondContact OH-CB 3.25Å; Y7-A170 HydrophobicContact CE2-CB 3.99Å
8A93.7Very high92.1Very high57 Ų5746.4 Ų46.447%0.47126%0.261SS..G310 helixtrans-65.4-25179.100000113.8T6 R15T6-A8 PolarHBondContact O-N 3.41Å; A8-R15 PolarHBondContact O-NH1 2.93Å; A8-R15 PolarHBondContact O-NH2 2.76Å
9D94.8Very high92.3Very high51 Ų5147.9 Ų47.927%0.27327%0.271SS..G310 helixtrans-89-2178.3-71-51.7000112.9P5 T6 Y7 G11 K12P5-D9 HydrophobicContact CB-CB 3.82Å; T6-D9 PolarHBondContact O-N 2.88Å; T6-D9 PolarHBondContact OG1-N 2.85Å; T6-D9 PolarHBondContact OG1-OD2 3.31Å; Y7-D9 PolarHBondContact O-N 2.81Å; D9-G11 PolarHBondContact O-N 3.22Å; D9-K12 HydrophobicContact CB-CD 4.33Å; D9-K12 WeakPolarHBondContact O-CB 3.41Å; D9-K12 PolarHBondContact O-N 3.02Å; D9-K12 VanDerWaalsContact O-N 3.17Å; D9-K12 WeakPolarHBondContact OD1-CD 3.29Å; D9-K12 WeakPolarHBondContact OD1-CE 3.41Å; D9-K12 IonicContact OD1-NZ 2.69Å; D9-K12 PolarHBondContact OD1-NZ 3.06Å
10L94.1Very high92.4Very high4 Ų451.5 Ų51.52%0.02128%0.284CS..THydrogen-bonded Turntrans-63.4132.8169.2-65.6174.9000110P5 T6 Y7 K12 R15 V143 L150 A170 H181P5-L10 HydrophobicContact CG-CD2 3.9Å; T6-L10 PolarHBondContact O-N 3.44Å; Y7-L10 HydrophobicContact CD2-CD1 3.9Å; Y7-L10 HydrophobicContact CE2-CD1 4.19Å; Y7-L10 HydrophobicContact CG-CD1 4.37Å; Y7-L10 WeakPolarHBondContact O-CB 3.49Å; Y7-L10 WeakPolarHBondContact O-CG 3.47Å; Y7-L10 PolarHBondContact O-N 3.39Å; Y7-L10 VanDerWaalsContact O-N 3.13Å; L10-K12 PolarHBondContact O-N 3.48Å; L10-R15 PolarHBondContact O-NH2 2.82Å; L10-V143 HydrophobicContact CD1-CG2 4.2Å; L10-V143 HydrophobicContact CD2-CG1 4.15Å; L10-L150 HydrophobicContact CD2-CB 4.16Å; L10-L150 HydrophobicContact CD2-CD1 3.99Å; L10-A170 HydrophobicContact CD1-CB 3.74Å; L10-H181 WeakPolarHBondContact CB-NE2 3.31Å
11G93.9Very high92.4Very high2 Ų250 Ų502%0.02128%0.28CS..THydrogen-bonded Turntrans68.810.1-174.800000115.2D9 S13 A14 R15D9-G11 PolarHBondContact O-N 3.22Å; G11-S13 VanDerWaalsContact C-N 3.31Å; G11-S13 PolarHBondContact O-N 3.19Å; G11-A14 PolarHBondContact O-N 3.22Å; G11-R15 PolarHBondContact O-N 3.44Å; G11-R15 VanDerWaalsContact O-N 3.13Å
12K95.7Very high94.2Very high84 Ų8445.1 Ų45.137%0.36526%0.255SS..Hα-helixtrans-56.8-38.6-176.9-177.2-176.5-162.7158.40113.9D9 L10 A14 R15 D16D9-K12 HydrophobicContact CB-CD 4.33Å; D9-K12 WeakPolarHBondContact O-CB 3.41Å; D9-K12 PolarHBondContact O-N 3.02Å; D9-K12 VanDerWaalsContact O-N 3.17Å; D9-K12 WeakPolarHBondContact OD1-CD 3.29Å; D9-K12 WeakPolarHBondContact OD1-CE 3.41Å; D9-K12 IonicContact OD1-NZ 2.69Å; D9-K12 PolarHBondContact OD1-NZ 3.06Å; L10-K12 PolarHBondContact O-N 3.48Å; K12-A14 PolarHBondContact O-N 2.78Å; K12-R15 WeakPolarHBondContact O-CB 3.4Å; K12-R15 PolarHBondContact O-N 3.21Å; K12-D16 WeakPolarHBondContact O-CB 3.37Å; K12-D16 PolarHBondContact O-N 3.37Å
13S95.1Very high94.6Very high29 Ų2942.2 Ų42.220%0.20323%0.233CC..Hα-helixtrans-63.3-44.8-176.7-36.30000111.3G11 D16 V17 Q179G11-S13 VanDerWaalsContact C-N 3.31Å; G11-S13 PolarHBondContact O-N 3.19Å; S13-D16 PolarHBondContact O-N 3.35Å; S13-V17 WeakPolarHBondContact O-CG2 3.48Å; S13-V17 PolarHBondContact O-N 2.82Å; S13-Q179 PolarHBondContact OG-OE1 2.78Å
14A96Very high94.8Very high3 Ų341 Ų413%0.02522%0.222CC..Hα-helixtrans-61.9-47.9173.600000110.9G11 K12 D16 V17 F18 A205G11-A14 PolarHBondContact O-N 3.22Å; K12-A14 PolarHBondContact O-N 2.78Å; A14-D16 VanDerWaalsContact C-N 3.29Å; A14-D16 PolarHBondContact O-N 2.78Å; A14-V17 PolarHBondContact O-N 2.82Å; A14-F18 WeakPolarHBondContact O-CD2 3.5Å; A14-F18 PolarHBondContact O-N 2.89Å; A14-A205 HydrophobicContact CB-CB 4.08Å
15R96.3Very high94.8Very high121 Ų12140.9 Ų40.946%0.45722%0.221SC..Hα-helixtrans-57.4-41.7179.3-165.8-174.2-54.11518.3112.3A8 L10 G11 K12 V17 F18 T19A8-R15 PolarHBondContact O-NH1 2.93Å; A8-R15 PolarHBondContact O-NH2 2.76Å; L10-R15 PolarHBondContact O-NH2 2.82Å; G11-R15 PolarHBondContact O-N 3.44Å; G11-R15 VanDerWaalsContact O-N 3.13Å; K12-R15 WeakPolarHBondContact O-CB 3.4Å; K12-R15 PolarHBondContact O-N 3.21Å; R15-V17 PolarHBondContact O-N 3.49Å; R15-F18 PolarHBondContact O-N 2.8Å; R15-F18 VanDerWaalsContact O-N 3.14Å; R15-T19 HydrophobicContact CG-CG2 4.24Å; R15-T19 WeakPolarHBondContact O-CB 3.39Å; R15-T19 WeakPolarHBondContact O-CG2 3.32Å; R15-T19 PolarHBondContact O-N 3.23Å; R15-T19 PolarHBondContact O-OG1 2.83Å
16D96.5Very high94.9Very high40 Ų4041.7 Ų41.721%0.21422%0.224CC..Hα-helixtrans-61.7-40.6179.4-83.7-6.3000111.5K12 S13 A14 F18 T19 K20K12-D16 WeakPolarHBondContact O-CB 3.37Å; K12-D16 PolarHBondContact O-N 3.37Å; S13-D16 PolarHBondContact O-N 3.35Å; A14-D16 VanDerWaalsContact C-N 3.29Å; A14-D16 PolarHBondContact O-N 2.78Å; D16-F18 VanDerWaalsContact C-N 3.28Å; D16-F18 PolarHBondContact O-N 2.78Å; D16-T19 PolarHBondContact O-N 2.72Å; D16-K20 HydrophobicContact CB-CD 3.95Å; D16-K20 HydrophobicContact CB-CG 4.36Å; D16-K20 VanDerWaalsContact CG-NZ 3.26Å; D16-K20 WeakPolarHBondContact O-CB 3.42Å; D16-K20 PolarHBondContact O-N 3.1Å; D16-K20 VanDerWaalsContact OD1-CE 3.24Å; D16-K20 WeakPolarHBondContact OD1-CE 3.41Å; D16-K20 IonicContact OD1-NZ 2.75Å; D16-K20 WeakPolarHBondContact OD2-CE 3.42Å; D16-K20 IonicContact OD2-NZ 2.76Å; D16-K20 PolarHBondContact OD2-NZ 2.74Å
17V96.7Very high94.9Very high2 Ų243.3 Ų43.31%0.01223%0.229CC..Hα-helixtrans-63.8-33.2175.1-177.50000111.8S13 A14 R15 Y22 Y195 E203 A205 A222 K224S13-V17 WeakPolarHBondContact O-CG2 3.48Å; S13-V17 PolarHBondContact O-N 2.82Å; A14-V17 PolarHBondContact O-N 2.82Å; R15-V17 PolarHBondContact O-N 3.49Å; V17-Y22 WeakPolarHBondContact O-CE2 3.41Å; V17-Y195 HydrophobicContact CG2-CD2 3.89Å; V17-Y195 HydrophobicContact CG2-CE2 3.86Å; V17-E203 HydrophobicContact CG2-CB 4.34Å; V17-A205 HydrophobicContact CB-CB 3.83Å; V17-A205 HydrophobicContact CG1-CB 4.07Å; V17-A205 HydrophobicContact CG2-CB 4.23Å; V17-A222 HydrophobicContact CG1-CB 3.76Å; V17-K224 HydrophobicContact CG1-CB 4.19Å
18F96.6Very high95Very high32 Ų3246 Ų4614%0.1424%0.242CC..Hα-helixtrans-80.1-18.5176.3-82-83.2000114.5A14 R15 D16 Y22 A205 N207 G220 A222 K236A14-F18 WeakPolarHBondContact O-CD2 3.5Å; A14-F18 PolarHBondContact O-N 2.89Å; R15-F18 PolarHBondContact O-N 2.8Å; R15-F18 VanDerWaalsContact O-N 3.14Å; D16-F18 VanDerWaalsContact C-N 3.28Å; D16-F18 PolarHBondContact O-N 2.78Å; F18-Y22 WeakPolarHBondContact O-CD2 3.47Å; F18-Y22 WeakPolarHBondContact O-CE2 3.45Å; F18-A205 HydrophobicContact CD2-CB 4.02Å; F18-A205 HydrophobicContact CE2-CB 3.66Å; F18-N207 HydrophobicContact CD2-CB 4.46Å; F18-N207 HydrophobicContact CE2-CB 3.83Å; F18-N207 HydrophobicContact CZ-CB 4.02Å; F18-G220 WeakPolarHBondContact CZ-O 3.23Å; F18-A222 HydrophobicContact CD1-CB 3.66Å; F18-A222 HydrophobicContact CD2-CB 3.96Å; F18-A222 HydrophobicContact CE1-CB 3.53Å; F18-A222 HydrophobicContact CE2-CB 3.83Å; F18-A222 HydrophobicContact CG-CB 3.86Å; F18-A222 HydrophobicContact CZ-CB 3.6Å; F18-K236 HydrophobicContact CD1-CB 4.2Å; F18-K236 HydrophobicContact CD1-CD 4.12Å; F18-K236 HydrophobicContact CE1-CB 4.32Å; F18-K236 WeakPolarHBondContact O-CD 3.48Å; F18-K236 PolarHBondContact O-NZ 2.93Å
19T95.4Very high95.1Very high75 Ų7547.6 Ų47.646%0.4624%0.241SC..Hα-helixtrans-120.6-38-16754.30000114.3R15 D16R15-T19 HydrophobicContact CG-CG2 4.24Å; R15-T19 WeakPolarHBondContact O-CB 3.39Å; R15-T19 WeakPolarHBondContact O-CG2 3.32Å; R15-T19 PolarHBondContact O-N 3.23Å; R15-T19 PolarHBondContact O-OG1 2.83Å; D16-T19 PolarHBondContact O-N 2.72Å
20K94.8Very high95.2Very high119 Ų11945.8 Ų45.852%0.51723%0.232SC..THydrogen-bonded Turntrans-78.2141.7-180-66.1-178.4174.21680111.1D16 Y22D16-K20 HydrophobicContact CB-CD 3.95Å; D16-K20 HydrophobicContact CB-CG 4.36Å; D16-K20 VanDerWaalsContact CG-NZ 3.26Å; D16-K20 WeakPolarHBondContact O-CB 3.42Å; D16-K20 PolarHBondContact O-N 3.1Å; D16-K20 VanDerWaalsContact OD1-CE 3.24Å; D16-K20 WeakPolarHBondContact OD1-CE 3.41Å; D16-K20 IonicContact OD1-NZ 2.75Å; D16-K20 WeakPolarHBondContact OD2-CE 3.42Å; D16-K20 IonicContact OD2-NZ 2.76Å; D16-K20 PolarHBondContact OD2-NZ 2.74Å; K20-Y22 WeakPolarHBondContact O-CD2 3.29Å
21G92.6Very high95.4Very high21 Ų2149 Ų4922%0.21625%0.249CC..THydrogen-bonded Turntrans84.511.2-177.900000114.3
22Y94.4Very high95.5Very high31 Ų3153.4 Ų53.412%0.12227%0.267CS..  trans-125.5140.8176.8-51.1-74.2000110.7V17 F18 K20 F24 S234 A235 K236V17-Y22 WeakPolarHBondContact O-CE2 3.41Å; F18-Y22 WeakPolarHBondContact O-CD2 3.47Å; F18-Y22 WeakPolarHBondContact O-CE2 3.45Å; K20-Y22 WeakPolarHBondContact O-CD2 3.29Å; Y22-F24 AromaticContact CD1-CE1 3.65Å; Y22-F24 HydrophobicContact CD1-CE1 3.65Å; Y22-F24 HydrophobicContact CD1-CE2 4.32Å; Y22-F24 AromaticContact CD1-CZ 3.34Å; Y22-F24 HydrophobicContact CD1-CZ 3.34Å; Y22-F24 HydrophobicContact CE1-CZ 4.13Å; Y22-F24 HydrophobicContact CG-CE1 4.2Å; Y22-F24 HydrophobicContact CG-CE2 4.29Å; Y22-F24 AromaticContact CG-CZ 3.72Å; Y22-F24 HydrophobicContact CG-CZ 3.72Å; Y22-S234 VanDerWaalsContact OH-CB 3.31Å; Y22-S234 WeakPolarHBondContact OH-CB 3.17Å; Y22-A235 VanDerWaalsContact OH-C 3.24Å; Y22-A235 PolarHBondContact OH-N 2.79Å; Y22-A235 PolarHBondContact OH-O 2.8Å; Y22-K236 HydrophobicContact CD2-CD 4.49Å; Y22-K236 HydrophobicContact CE1-CD 4.47Å; Y22-K236 HydrophobicContact CE1-CG 4.33Å; Y22-K236 HydrophobicContact CE2-CD 4.01Å
23G93.1Very high95.5Very high23 Ų2351.8 Ų51.824%0.23726%0.264CS..  trans-148.148.7177.300000111.1G25 L26 S260 G276G23-G25 PolarHBondContact O-N 3.44Å; G23-L26 PolarHBondContact O-N 2.75Å; G23-L26 VanDerWaalsContact O-N 3.13Å; G23-S260 PolarHBondContact N-OG 3.18Å; G23-G276 WeakPolarHBondContact O-CA 3.27Å
24F93.8Very high95.4Very high45 Ų4556.3 Ų56.320%0.19728%0.28CS..THydrogen-bonded Turntrans-58.9128.7-170.2-50.7-47.1000112.8Y22 L26 K236 A261 L262 K274Y22-F24 AromaticContact CD1-CE1 3.65Å; Y22-F24 HydrophobicContact CD1-CE1 3.65Å; Y22-F24 HydrophobicContact CD1-CE2 4.32Å; Y22-F24 AromaticContact CD1-CZ 3.34Å; Y22-F24 HydrophobicContact CD1-CZ 3.34Å; Y22-F24 HydrophobicContact CE1-CZ 4.13Å; Y22-F24 HydrophobicContact CG-CE1 4.2Å; Y22-F24 HydrophobicContact CG-CE2 4.29Å; Y22-F24 AromaticContact CG-CZ 3.72Å; Y22-F24 HydrophobicContact CG-CZ 3.72Å; F24-L26 PolarHBondContact O-N 3.42Å; F24-K236 VanDerWaalsContact CE2-CE 3.48Å; F24-A261 VanDerWaalsContact CE1-C 3.46Å; F24-A261 WeakPolarHBondContact CE1-O 3.25Å; F24-L262 HydrophobicContact CB-CB 4.08Å; F24-L262 HydrophobicContact CD1-CB 3.77Å; F24-L262 HydrophobicContact CD2-CB 3.93Å; F24-L262 HydrophobicContact CD2-CD1 4.14Å; F24-L262 HydrophobicContact CD2-CD2 4.1Å; F24-L262 HydrophobicContact CD2-CG 4.3Å; F24-L262 HydrophobicContact CE1-CB 4.11Å; F24-L262 HydrophobicContact CE2-CB 4.24Å; F24-L262 HydrophobicContact CE2-CD1 3.84Å; F24-L262 HydrophobicContact CE2-CG 4.47Å; F24-L262 HydrophobicContact CG-CB 3.68Å; F24-L262 HydrophobicContact CG-CD2 4.44Å; F24-L262 HydrophobicContact CZ-CB 4.33Å; F24-L262 HydrophobicContact CZ-CD1 4.19Å; F24-K274 HydrophobicContact CB-CB 4.19Å
25G94Very high95.1Very high2 Ų258 Ų582%0.02129%0.292CS..THydrogen-bonded Turntrans72.414.317900000114G23 T49 L275G23-G25 PolarHBondContact O-N 3.44Å; G25-T49 WeakPolarHBondContact CA-OG1 3.21Å; G25-T49 PolarHBondContact O-N 3.08Å; G25-T49 PolarHBondContact O-OG1 2.75Å; G25-T49 VanDerWaalsContact O-OG1 3.13Å; G25-L275 WeakPolarHBondContact CA-O 3.37Å; G25-L275 PolarHBondContact N-O 3.08Å
26L95.4Very high94.5Very high54 Ų5462.2 Ų62.228%0.28332%0.317SS..EExtended strand (participates in β ladder)trans-124.9135.4-178.3-60.6175.5000110.8G23 F24 A47 N48 G276 L277G23-L26 PolarHBondContact O-N 2.75Å; G23-L26 VanDerWaalsContact O-N 3.13Å; F24-L26 PolarHBondContact O-N 3.42Å; L26-A47 WeakPolarHBondContact CA-O 3.15Å; L26-N48 HydrophobicContact CD2-CB 4.06Å; L26-G276 CarbonylContact O-C 3.56Å; L26-G276 VanDerWaalsContact O-CA 3.28Å; L26-G276 WeakPolarHBondContact O-CA 3.45Å; L26-L277 PolarHBondContact O-N 3.31Å
27I95.8Very high94Very high89 Ų8965.8 Ų65.846%0.45634%0.336SS..EExtended strand (participates in β ladder)trans-99.4111.8158.9-57.9174.9000106.3S46 A47 T49 L277I27-S46 CarbonylContact O-C 3.5Å; I27-S46 VanDerWaalsContact O-CA 3.27Å; I27-S46 WeakPolarHBondContact O-CA 3.33Å; I27-A47 HydrophobicContact CB-CB 4.45Å; I27-A47 PolarHBondContact N-O 2.75Å; I27-A47 PolarHBondContact O-N 2.98Å; I27-T49 HydrophobicContact CD1-CG2 4.31Å; I27-T49 HydrophobicContact CG1-CG2 4.08Å; I27-L277 CarbonylContact C-O 3.58Å; I27-L277 VanDerWaalsContact CA-O 3.3Å; I27-L277 WeakPolarHBondContact CA-O 3.32Å; I27-L277 HydrophobicContact CG2-CD2 4.39Å
28K96.3Very high93.4Very high83 Ų8366.6 Ų66.636%0.36135%0.345SS..EExtended strand (participates in β ladder)trans-116.8137.1-174.1-165.3-179.1-173.2-131.50111D30 G45 L277 G278 L279K28-D30 WeakPolarHBondContact CD-OD2 3.44Å; K28-D30 WeakPolarHBondContact CE-OD1 3.38Å; K28-D30 WeakPolarHBondContact CE-OD2 3.31Å; K28-D30 IonicContact NZ-OD1 3.46Å; K28-D30 PolarHBondContact NZ-OD1 3.05Å; K28-D30 IonicContact NZ-OD2 3.78Å; K28-D30 PolarHBondContact NZ-OD2 3.21Å; K28-G45 WeakPolarHBondContact CA-O 3.35Å; K28-L277 PolarHBondContact N-O 3.25Å; K28-G278 CarbonylContact O-C 3.51Å; K28-G278 WeakPolarHBondContact O-CA 3.49Å; K28-L279 PolarHBondContact O-N 2.79Å
29L96.7Very high93.2Very high89 Ų8966.8 Ų66.847%0.46635%0.347SS..EExtended strand (participates in β ladder)trans-126.7121.5172-179.168.2000108.2S44 G45 L279 F281L29-S44 CarbonylContact O-C 3.51Å; L29-S44 WeakPolarHBondContact O-CA 3.41Å; L29-G45 PolarHBondContact N-O 3.32Å; L29-G45 PolarHBondContact O-N 2.99Å; L29-L279 CarbonylContact C-O 3.49Å; L29-L279 WeakPolarHBondContact CA-O 3.39Å; L29-L279 HydrophobicContact CD1-CB 3.87Å; L29-F281 HydrophobicContact CD1-CD2 3.69Å; L29-F281 HydrophobicContact CD1-CE2 3.45Å; L29-F281 VanDerWaalsContact CD1-CE2 3.45Å
30D96.8Very high93.2Very high13 Ų1365 Ų657%0.0733%0.334CS..EExtended strand (participates in β ladder)trans-118.9128172.2-61.5-83.4000108.9K28 S44 L279 E280 F281K28-D30 WeakPolarHBondContact CD-OD2 3.44Å; K28-D30 WeakPolarHBondContact CE-OD1 3.38Å; K28-D30 WeakPolarHBondContact CE-OD2 3.31Å; K28-D30 IonicContact NZ-OD1 3.46Å; K28-D30 PolarHBondContact NZ-OD1 3.05Å; K28-D30 IonicContact NZ-OD2 3.78Å; K28-D30 PolarHBondContact NZ-OD2 3.21Å; D30-S44 VanDerWaalsContact OD1-CB 3.31Å; D30-S44 WeakPolarHBondContact OD1-CB 3.45Å; D30-L279 PolarHBondContact N-O 3.23Å; D30-E280 HydrophobicContact CB-CG 4.28Å; D30-E280 CarbonylContact O-C 3.52Å; D30-E280 WeakPolarHBondContact O-CA 3.37Å; D30-F281 PolarHBondContact O-N 3.44Å
31L96.7Very high93.3Very high73 Ų7362.6 Ų62.638%0.38232%0.323SS..EExtended strand (participates in β ladder)trans-119.8119.2172.9174.766.8000108.2T33 T42 S43 F281L31-T33 HydrophobicContact CD1-CG2 4.11Å; L31-T33 HydrophobicContact CD2-CG2 4.49Å; L31-T33 HydrophobicContact CG-CG2 4.13Å; L31-T42 CarbonylContact O-C 3.58Å; L31-T42 WeakPolarHBondContact O-CA 3.46Å; L31-S43 PolarHBondContact N-O 3.22Å; L31-S43 PolarHBondContact O-N 2.8Å; L31-F281 CarbonylContact C-O 3.56Å; L31-F281 WeakPolarHBondContact CA-O 3.19Å; L31-F281 HydrophobicContact CD1-CB 3.58Å
32K96.7Very high93.5Very high94 Ų9463.1 Ų63.141%0.40932%0.323SS..EExtended strand (participates in β ladder)trans-113.8122.7175.4-64.8179.3-177.2169.80108.6F41 T42 F281 Q282 A283K32-F41 CarbonylContact C-O 3.49Å; K32-F41 VanDerWaalsContact CA-O 3.29Å; K32-F41 WeakPolarHBondContact CA-O 3.13Å; K32-T42 HydrophobicContact CG-CG2 4Å; K32-F281 PolarHBondContact N-O 2.91Å; K32-Q282 HydrophobicContact CB-CG 4.43Å; K32-Q282 CarbonylContact O-C 3.5Å; K32-Q282 VanDerWaalsContact O-CA 3.27Å; K32-Q282 WeakPolarHBondContact O-CA 3.32Å; K32-A283 PolarHBondContact O-N 3.49Å
33T95.4Very high93.6Very high50 Ų5064 Ų6431%0.30733%0.333SS..EExtended strand (participates in β ladder)trans-122.5147.3173.764.80000110.1L31 E40 F41 A283L31-T33 HydrophobicContact CD1-CG2 4.11Å; L31-T33 HydrophobicContact CD2-CG2 4.49Å; L31-T33 HydrophobicContact CG-CG2 4.13Å; T33-E40 CarbonylContact O-C 3.54Å; T33-E40 WeakPolarHBondContact O-CA 3.23Å; T33-F41 PolarHBondContact N-O 2.89Å; T33-F41 PolarHBondContact O-N 2.93Å; T33-A283 CarbonylContact C-O 3.57Å; T33-A283 VanDerWaalsContact CA-O 3.26Å; T33-A283 WeakPolarHBondContact CA-O 3.25Å; T33-A283 HydrophobicContact CG2-CB 4.27Å
34K93.3Very high93.8Very high123 Ų12364.3 Ų64.354%0.53533%0.332SS..EExtended strand (participates in β ladder)trans-126.3122172.9-174.4170.3-177.6161.20110.3L39 E40 A283K34-L39 WeakPolarHBondContact CA-O 3.3Å; K34-E40 HydrophobicContact CB-CG 4.33Å; K34-E40 HydrophobicContact CD-CG 3.98Å; K34-E40 HydrophobicContact CG-CG 3.91Å; K34-E40 IonicContact NZ-OE1 3.32Å; K34-E40 PolarHBondContact NZ-OE1 3.02Å; K34-A283 PolarHBondContact N-O 3.35Å
35S89.3Confident93.9Very high40 Ų4063.5 Ų63.528%0.2834%0.336SS..  trans-80.2162.2173.559.90000111.7N37 G38 L39S35-N37 VanDerWaalsContact C-N 3.26Å; S35-N37 WeakPolarHBondContact CB-OD1 3.49Å; S35-N37 PolarHBondContact O-N 2.84Å; S35-N37 PolarHBondContact OG-OD1 3.29Å; S35-G38 PolarHBondContact O-N 2.79Å; S35-L39 PolarHBondContact N-O 3.42Å; S35-L39 WeakPolarHBondContact OG-CA 3.48Å; S35-L39 WeakPolarHBondContact OG-CB 3.44Å; S35-L39 PolarHBondContact OG-N 2.88Å; S35-L39 VanDerWaalsContact OG-N 3.14Å; S35-L39 PolarHBondContact OG-O 3.09Å
36E84.7Confident94Very high208 Ų20864.7 Ų64.797%0.97234%0.344SS*.THydrogen-bonded Turntrans-60.4-34.1179.4-63.3-179.1172.900113.1G38E36-G38 PolarHBondContact O-N 2.79Å
37N84.5Confident94Very high115 Ų11563.6 Ų63.662%0.61534%0.342SS*.THydrogen-bonded Turntrans-77.78.4176.770.3-11.5000113.9S35 L39S35-N37 VanDerWaalsContact C-N 3.26Å; S35-N37 WeakPolarHBondContact CB-OD1 3.49Å; S35-N37 PolarHBondContact O-N 2.84Å; S35-N37 PolarHBondContact OG-OD1 3.29Å; N37-L39 PolarHBondContact OD1-N 2.94Å
38G84.7Confident93.9Very high19 Ų1961.5 Ų61.520%0.19633%0.332CS..SBendtrans84.58174.700000115.5S35 E36S35-G38 PolarHBondContact O-N 2.79Å; E36-G38 PolarHBondContact O-N 2.79Å
39L92.5Very high93.5Very high37 Ų3761.2 Ų61.219%0.19434%0.337CS..EExtended strand (participates in β ladder)trans-76123.1172.5-163.463.9000109.5K34 S35 N37 F41 T60 Y62K34-L39 WeakPolarHBondContact CA-O 3.3Å; S35-L39 PolarHBondContact N-O 3.42Å; S35-L39 WeakPolarHBondContact OG-CA 3.48Å; S35-L39 WeakPolarHBondContact OG-CB 3.44Å; S35-L39 PolarHBondContact OG-N 2.88Å; S35-L39 VanDerWaalsContact OG-N 3.14Å; S35-L39 PolarHBondContact OG-O 3.09Å; N37-L39 PolarHBondContact OD1-N 2.94Å; L39-F41 HydrophobicContact CB-CE2 4.26Å; L39-F41 HydrophobicContact CD2-CE1 4.03Å; L39-F41 HydrophobicContact CD2-CE2 3.57Å; L39-F41 HydrophobicContact CD2-CZ 3.2Å; L39-F41 HydrophobicContact CG-CD2 4.45Å; L39-F41 HydrophobicContact CG-CE1 4.41Å; L39-F41 HydrophobicContact CG-CE2 3.77Å; L39-F41 HydrophobicContact CG-CZ 3.77Å; L39-T60 HydrophobicContact CD1-CG2 3.54Å; L39-T60 HydrophobicContact CD2-CG2 4.3Å; L39-T60 HydrophobicContact CG-CG2 3.98Å; L39-Y62 HydrophobicContact CD1-CD2 3.99Å; L39-Y62 HydrophobicContact CD1-CG 4.24Å
40E96Very high93.1Very high38 Ų3862.2 Ų62.218%0.17834%0.34CS..EExtended strand (participates in β ladder)trans-105.4121.9179.1-69170.9-176.900108.2T33 K34 T60 K61 R63T33-E40 CarbonylContact O-C 3.54Å; T33-E40 WeakPolarHBondContact O-CA 3.23Å; K34-E40 HydrophobicContact CB-CG 4.33Å; K34-E40 HydrophobicContact CD-CG 3.98Å; K34-E40 HydrophobicContact CG-CG 3.91Å; K34-E40 IonicContact NZ-OE1 3.32Å; K34-E40 PolarHBondContact NZ-OE1 3.02Å; E40-T60 CarbonylContact O-C 3.59Å; E40-K61 HydrophobicContact CB-CB 4.16Å; E40-K61 PolarHBondContact N-O 2.76Å; E40-K61 PolarHBondContact O-N 2.78Å; E40-R63 IonicContact OE1-CZ 2.68Å; E40-R63 IonicContact OE1-NE 2.68Å; E40-R63 IonicContact OE1-NH2 3.16Å; E40-R63 PolarHBondContact OE1-NH2 3.19Å; E40-R63 IonicContact OE2-CZ 3.65Å; E40-R63 IonicContact OE2-NE 2.73Å; E40-R63 IonicContact OE2-NH2 2.73Å; E40-R63 PolarHBondContact OE2-NH2 2.73Å
41F96.5Very high92.7Very high68 Ų6865.7 Ų65.730%0.29836%0.361SS..EExtended strand (participates in β ladder)trans-106.7133.9172.8-59.5-91.1000109.6K32 T33 L39 E59 T60K32-F41 CarbonylContact C-O 3.49Å; K32-F41 VanDerWaalsContact CA-O 3.29Å; K32-F41 WeakPolarHBondContact CA-O 3.13Å; T33-F41 PolarHBondContact N-O 2.89Å; T33-F41 PolarHBondContact O-N 2.93Å; L39-F41 HydrophobicContact CB-CE2 4.26Å; L39-F41 HydrophobicContact CD2-CE1 4.03Å; L39-F41 HydrophobicContact CD2-CE2 3.57Å; L39-F41 HydrophobicContact CD2-CZ 3.2Å; L39-F41 HydrophobicContact CG-CD2 4.45Å; L39-F41 HydrophobicContact CG-CE1 4.41Å; L39-F41 HydrophobicContact CG-CE2 3.77Å; L39-F41 HydrophobicContact CG-CZ 3.77Å; F41-E59 CarbonylContact C-O 3.55Å; F41-E59 WeakPolarHBondContact CA-O 3.4Å; F41-T60 HydrophobicContact CD1-CG2 4.11Å; F41-T60 HydrophobicContact CE1-CG2 3.87Å
42T97.3Very high92.2Very high32 Ų3267.9 Ų67.920%0.19638%0.378CS..EExtended strand (participates in β ladder)trans-124.5105.4171.8-600000108.8L31 K32 E59L31-T42 CarbonylContact O-C 3.58Å; L31-T42 WeakPolarHBondContact O-CA 3.46Å; K32-T42 HydrophobicContact CG-CG2 4Å; T42-E59 PolarHBondContact N-O 2.79Å; T42-E59 PolarHBondContact O-N 2.9Å
43S97.2Very high92Very high50 Ų5068.3 Ų68.335%0.3538%0.38SS..EExtended strand (participates in β ladder)trans-96.1124.1170.1-61.60000108.6L31 S57 L58L31-S43 PolarHBondContact N-O 3.22Å; L31-S43 PolarHBondContact O-N 2.8Å; S43-S57 CarbonylContact C-O 3.5Å; S43-S57 WeakPolarHBondContact CA-O 3.47Å; S43-L58 VanDerWaalsContact OG-CD1 3.28Å; S43-L58 WeakPolarHBondContact OG-CD1 3.42Å
44S96.7Very high92Very high29 Ų2970.7 Ų70.720%0.20339%0.394CS..EExtended strand (participates in β ladder)trans-128.1141.8177.856.30000110.6L29 D30 G56 S57L29-S44 CarbonylContact O-C 3.51Å; L29-S44 WeakPolarHBondContact O-CA 3.41Å; D30-S44 VanDerWaalsContact OD1-CB 3.31Å; D30-S44 WeakPolarHBondContact OD1-CB 3.45Å; S44-G56 CarbonylContact O-C 3.49Å; S44-G56 WeakPolarHBondContact O-CA 3.49Å; S44-S57 PolarHBondContact N-O 2.85Å; S44-S57 PolarHBondContact O-N 2.79Å; S44-S57 PolarHBondContact OG-O 2.78Å; S44-S57 PolarHBondContact OG-OG 2.83Å
45G96.3Very high92Very high27 Ų2767 Ų6728%0.27838%0.382SS..EExtended strand (participates in β ladder)trans-134.3141.317300000109.8K28 L29 T55K28-G45 WeakPolarHBondContact CA-O 3.35Å; L29-G45 PolarHBondContact N-O 3.32Å; L29-G45 PolarHBondContact O-N 2.99Å; G45-T55 CarbonylContact C-O 3.49Å; G45-T55 WeakPolarHBondContact CA-O 3.37Å
46S95.3Very high92.4Very high27 Ų2766 Ų6619%0.18938%0.378CS..EExtended strand (participates in β ladder)trans-140.9132.9170.9700000111.3I27 V54 T55I27-S46 CarbonylContact O-C 3.5Å; I27-S46 VanDerWaalsContact O-CA 3.27Å; I27-S46 WeakPolarHBondContact O-CA 3.33Å; S46-V54 CarbonylContact O-C 3.55Å; S46-V54 WeakPolarHBondContact O-CA 3.38Å; S46-T55 PolarHBondContact N-O 2.86Å; S46-T55 PolarHBondContact O-N 2.82Å; S46-T55 PolarHBondContact OG-OG1 2.79Å
47A95.1Very high92.9Very high31 Ų3157.1 Ų57.126%0.25634%0.339SS..EExtended strand (participates in β ladder)trans-107.2124.6171.300000108.8L26 I27 V54L26-A47 WeakPolarHBondContact CA-O 3.15Å; I27-A47 HydrophobicContact CB-CB 4.45Å; I27-A47 PolarHBondContact N-O 2.75Å; I27-A47 PolarHBondContact O-N 2.98Å; A47-V54 HydrophobicContact CB-CG2 4.02Å
48N93.2Very high93.5Very high46 Ų4655.2 Ų55.225%0.24633%0.329CS..EExtended strand (participates in β ladder)trans-83121.1173.4-175.8-51.3000109.4L26 E50 T51 T52 K53L26-N48 HydrophobicContact CD2-CB 4.06Å; N48-E50 VanDerWaalsContact C-N 3.26Å; N48-E50 PolarHBondContact O-N 2.86Å; N48-E50 WeakPolarHBondContact OD1-CA 3.43Å; N48-E50 WeakPolarHBondContact OD1-CB 3.45Å; N48-E50 PolarHBondContact OD1-N 2.78Å; N48-T51 WeakPolarHBondContact CB-OG1 3.48Å; N48-T51 VanDerWaalsContact CG-OG1 3.26Å; N48-T51 PolarHBondContact OD1-N 2.85Å; N48-T51 PolarHBondContact OD1-OG1 3.27Å; N48-T52 WeakPolarHBondContact O-CA 3.35Å; N48-T52 PolarHBondContact O-N 3.03Å; N48-K53 PolarHBondContact N-O 2.94Å
49T88.5Confident94.2Very high76 Ų7656.7 Ų56.747%0.46633%0.33SS..THydrogen-bonded Turntrans-73.1-18.3-174.358.90000113.4G25 I27G25-T49 WeakPolarHBondContact CA-OG1 3.21Å; G25-T49 PolarHBondContact O-N 3.08Å; G25-T49 PolarHBondContact O-OG1 2.75Å; G25-T49 VanDerWaalsContact O-OG1 3.13Å; I27-T49 HydrophobicContact CD1-CG2 4.31Å; I27-T49 HydrophobicContact CG1-CG2 4.08Å
50E87.6Confident94.4Very high111 Ų11156.7 Ų56.752%0.51933%0.332SS..THydrogen-bonded Turntrans-92.1-46.1179.1-63.9179161.200111.8N48 K274N48-E50 VanDerWaalsContact C-N 3.26Å; N48-E50 PolarHBondContact O-N 2.86Å; N48-E50 WeakPolarHBondContact OD1-CA 3.43Å; N48-E50 WeakPolarHBondContact OD1-CB 3.45Å; N48-E50 PolarHBondContact OD1-N 2.78Å; E50-K274 WeakPolarHBondContact OE1-CD 3.32Å; E50-K274 WeakPolarHBondContact OE1-CE 3.44Å; E50-K274 IonicContact OE1-NZ 3.78Å; E50-K274 PolarHBondContact OE1-NZ 2.87Å; E50-K274 IonicContact OE2-NZ 3.05Å; E50-K274 PolarHBondContact OE2-NZ 2.8Å
51T89.7Confident94.4Very high85 Ų8557.5 Ų57.552%0.52134%0.335SS..THydrogen-bonded Turntrans-91.5-9.5-176.966.20000113.1N48 K53N48-T51 WeakPolarHBondContact CB-OG1 3.48Å; N48-T51 VanDerWaalsContact CG-OG1 3.26Å; N48-T51 PolarHBondContact OD1-N 2.85Å; N48-T51 PolarHBondContact OD1-OG1 3.27Å; T51-K53 PolarHBondContact O-N 3.38Å; T51-K53 WeakPolarHBondContact OG1-CB 3.39Å; T51-K53 PolarHBondContact OG1-N 3.37Å
52T86.8Confident94.3Very high119 Ų11958.5 Ų58.573%0.7334%0.337SS*.  trans58.85.4-171.268.90000114.4N48 V54N48-T52 WeakPolarHBondContact O-CA 3.35Å; N48-T52 PolarHBondContact O-N 3.03Å; T52-V54 PolarHBondContact O-N 3.46Å
53K92.1Very high94Very high104 Ų10462.4 Ų62.445%0.45235%0.348SS..  trans-69.5126.6178-171.7178.2-179.3-176.10109.1N48 T51 T55 D78N48-K53 PolarHBondContact N-O 2.94Å; T51-K53 PolarHBondContact O-N 3.38Å; T51-K53 WeakPolarHBondContact OG1-CB 3.39Å; T51-K53 PolarHBondContact OG1-N 3.37Å; K53-T55 HydrophobicContact CD-CG2 4.24Å; K53-T55 HydrophobicContact CG-CG2 4.29Å; K53-D78 IonicContact NZ-OD1 2.65Å; K53-D78 PolarHBondContact NZ-OD1 2.77Å; K53-D78 VanDerWaalsContact NZ-OD1 3.15Å; K53-D78 IonicContact NZ-OD2 3.5Å
54V93.9Very high93.6Very high100 Ų10064.9 Ų64.961%0.60635%0.35SS*.EExtended strand (participates in β ladder)trans-100.9132.9170.5-176.10000108.4S46 A47 T52S46-V54 CarbonylContact O-C 3.55Å; S46-V54 WeakPolarHBondContact O-CA 3.38Å; A47-V54 HydrophobicContact CB-CG2 4.02Å; T52-V54 PolarHBondContact O-N 3.46Å
55T94.9Very high93Very high44 Ų4469 Ų6927%0.2737%0.374SS..EExtended strand (participates in β ladder)trans-125.2143.1173.856.80000109.3G45 S46 K53 T77G45-T55 CarbonylContact C-O 3.49Å; G45-T55 WeakPolarHBondContact CA-O 3.37Å; S46-T55 PolarHBondContact N-O 2.86Å; S46-T55 PolarHBondContact O-N 2.82Å; S46-T55 PolarHBondContact OG-OG1 2.79Å; K53-T55 HydrophobicContact CD-CG2 4.24Å; K53-T55 HydrophobicContact CG-CG2 4.29Å; T55-T77 WeakPolarHBondContact CA-OG1 3.45Å
56G96.2Very high92.4Very high20 Ų2075 Ų7521%0.20640%0.395CS..EExtended strand (participates in β ladder)trans-133.7153.5175.500000110.9S44 N76 T77S44-G56 CarbonylContact O-C 3.49Å; S44-G56 WeakPolarHBondContact O-CA 3.49Å; G56-N76 CarbonylContact O-C 3.55Å; G56-N76 VanDerWaalsContact O-CA 3.24Å; G56-N76 WeakPolarHBondContact O-CA 3.48Å; G56-N76 WeakPolarHBondContact O-CB 3.31Å; G56-T77 VanDerWaalsContact N-CG2 3.34Å; G56-T77 PolarHBondContact N-OG1 2.68Å; G56-T77 PolarHBondContact O-N 2.88Å
57S96.9Very high92Very high21 Ų2179.6 Ų79.615%0.14741%0.409CS..EExtended strand (participates in β ladder)trans-145.9146165.866.40000112.1S43 S44 W75S43-S57 CarbonylContact C-O 3.5Å; S43-S57 WeakPolarHBondContact CA-O 3.47Å; S44-S57 PolarHBondContact N-O 2.85Å; S44-S57 PolarHBondContact O-N 2.79Å; S44-S57 PolarHBondContact OG-O 2.78Å; S44-S57 PolarHBondContact OG-OG 2.83Å; S57-W75 CarbonylContact C-O 3.54Å; S57-W75 WeakPolarHBondContact CA-O 3.17Å; S57-W75 WeakPolarHBondContact CB-O 3.28Å
58L97.3Very high91.6Very high76 Ų7679 Ų7940%0.39841%0.406SS..EExtended strand (participates in β ladder)trans-113.9122.4169.9177.465.1000107.3S43 K74 W75S43-L58 VanDerWaalsContact OG-CD1 3.28Å; S43-L58 WeakPolarHBondContact OG-CD1 3.42Å; L58-K74 CarbonylContact O-C 3.54Å; L58-K74 WeakPolarHBondContact O-CA 3.39Å; L58-W75 PolarHBondContact N-O 3.28Å; L58-W75 PolarHBondContact O-N 2.76Å
59E97.6Very high91.6Very high50 Ų5078.6 Ų78.623%0.23440%0.404CS..EExtended strand (participates in β ladder)trans-117.3128.4174.7-176.7179119.200109F41 T42 T72 E73 K74F41-E59 CarbonylContact C-O 3.55Å; F41-E59 WeakPolarHBondContact CA-O 3.4Å; T42-E59 PolarHBondContact N-O 2.79Å; T42-E59 PolarHBondContact O-N 2.9Å; E59-T72 HydrophobicContact CG-CG2 3.57Å; E59-E73 CarbonylContact C-O 3.57Å; E59-E73 VanDerWaalsContact CA-O 3.27Å; E59-E73 WeakPolarHBondContact CA-O 3.49Å; E59-K74 HydrophobicContact CB-CB 4.42Å; E59-K74 HydrophobicContact CB-CG 4.3Å; E59-K74 HydrophobicContact CG-CB 4.35Å; E59-K74 IonicContact OE2-NZ 2.82Å
60T96.7Very high91.9Very high36 Ų3676.1 Ų76.122%0.22139%0.388CS..EExtended strand (participates in β ladder)trans-114.2128.8174.4-59.10000107.8L39 E40 F41 T72 E73L39-T60 HydrophobicContact CD1-CG2 3.54Å; L39-T60 HydrophobicContact CD2-CG2 4.3Å; L39-T60 HydrophobicContact CG-CG2 3.98Å; E40-T60 CarbonylContact O-C 3.59Å; F41-T60 HydrophobicContact CD1-CG2 4.11Å; F41-T60 HydrophobicContact CE1-CG2 3.87Å; T60-T72 CarbonylContact O-C 3.56Å; T60-T72 VanDerWaalsContact O-CA 3.31Å; T60-T72 WeakPolarHBondContact O-CA 3.19Å; T60-E73 PolarHBondContact N-O 3.34Å; T60-E73 PolarHBondContact O-N 3.46Å
61K96.8Very high92.3Very high55 Ų5574.4 Ų74.424%0.23938%0.379CS..EExtended strand (participates in β ladder)trans-129.2119.1-177.1-178.1173.6-158.1162.40110.4E40 T70 F71 T72E40-K61 HydrophobicContact CB-CB 4.16Å; E40-K61 PolarHBondContact N-O 2.76Å; E40-K61 PolarHBondContact O-N 2.78Å; K61-T70 HydrophobicContact CD-CG2 4.38Å; K61-T70 VanDerWaalsContact CE-CG2 3.44Å; K61-T70 HydrophobicContact CG-CG2 3.99Å; K61-F71 CarbonylContact C-O 3.56Å; K61-F71 WeakPolarHBondContact CA-O 3.41Å; K61-T72 HydrophobicContact CB-CG2 4.38Å
62Y94.6Very high92.7Very high90 Ų9070.9 Ų70.935%0.35336%0.358SS..EExtended strand (participates in β ladder)trans-114.1126.9177.3-177.3-114.9000110L39 W64 T70 F71L39-Y62 HydrophobicContact CD1-CD2 3.99Å; L39-Y62 HydrophobicContact CD1-CG 4.24Å; Y62-W64 HydrophobicContact CE1-CB 4.06Å; Y62-T70 WeakPolarHBondContact O-CA 3.45Å; Y62-F71 HydrophobicContact CD1-CD2 4.28Å; Y62-F71 PolarHBondContact N-O 2.83Å; Y62-F71 PolarHBondContact O-N 2.81Å
63R91.3Very high93.2Very high113 Ų11371 Ų7143%0.42635%0.35SS..EExtended strand (participates in β ladder)trans-109.6112.8177.8-59.1-173.9-160.4-168.27.5109.5E40 T65 T70E40-R63 IonicContact OE1-CZ 2.68Å; E40-R63 IonicContact OE1-NE 2.68Å; E40-R63 IonicContact OE1-NH2 3.16Å; E40-R63 PolarHBondContact OE1-NH2 3.19Å; E40-R63 IonicContact OE2-CZ 3.65Å; E40-R63 IonicContact OE2-NE 2.73Å; E40-R63 IonicContact OE2-NH2 2.73Å; E40-R63 PolarHBondContact OE2-NH2 2.73Å; R63-T65 HydrophobicContact CB-CG2 4.39Å; R63-T65 PolarHBondContact O-N 3.14Å; R63-T70 HydrophobicContact CG-CG2 4.13Å
64W87.9Confident93.5Very high103 Ų10370.4 Ų70.439%0.3935%0.347SS..EExtended strand (participates in β ladder)trans-93.784.9170.2-163.3-3.7000108.9Y62 E66 Y67 G68 L69Y62-W64 HydrophobicContact CE1-CB 4.06Å; W64-E66 VanDerWaalsContact C-N 3.3Å; W64-E66 PolarHBondContact NE1-OE2 3.18Å; W64-E66 PolarHBondContact O-N 2.76Å; W64-Y67 AromaticContact CD1-CD2 3.89Å; W64-Y67 AromaticContact CD2-CD2 3.74Å; W64-Y67 HydrophobicContact CD2-CD2 3.74Å; W64-Y67 HydrophobicContact CD2-CE2 4.33Å; W64-Y67 AromaticContact CE2-CD2 3.35Å; W64-Y67 AromaticContact CE2-CE2 3.51Å; W64-Y67 HydrophobicContact CE3-CD2 4.37Å; W64-Y67 HydrophobicContact CG-CD2 4.09Å; W64-Y67 HydrophobicContact CH2-CD2 4.33Å; W64-Y67 HydrophobicContact CH2-CE2 4.15Å; W64-Y67 AromaticContact CZ2-CD2 3.7Å; W64-Y67 HydrophobicContact CZ2-CD2 3.7Å; W64-Y67 AromaticContact CZ2-CE2 3.41Å; W64-Y67 HydrophobicContact CZ2-CE2 3.41Å; W64-Y67 VanDerWaalsContact CZ2-CE2 3.41Å; W64-Y67 AromaticContact NE1-CD2 3.43Å; W64-Y67 AromaticContact NE1-CE2 3.64Å; W64-Y67 PolarHBondContact O-N 3.38Å; W64-G68 PolarHBondContact O-N 3.34Å; W64-L69 HydrophobicContact CB-CB 4.26Å; W64-L69 HydrophobicContact CE3-CD1 4.41Å; W64-L69 PolarHBondContact N-O 3.41Å; W64-L69 PolarHBondContact O-N 3.21Å; W64-L69 VanDerWaalsContact O-N 3.12Å
65T84.2Confident93.6Very high116 Ų11672.2 Ų72.271%0.71234%0.343SS*.G310 helixtrans-62.3-33.5-16948.70000113.7R63 Y67 G68R63-T65 HydrophobicContact CB-CG2 4.39Å; R63-T65 PolarHBondContact O-N 3.14Å; T65-Y67 PolarHBondContact O-N 3.32Å; T65-G68 PolarHBondContact O-N 3.47Å; T65-G68 VanDerWaalsContact O-N 3.15Å
66E84.6Confident93.6Very high151 Ų15172.3 Ų72.371%0.70634%0.342SS*.G310 helixtrans-58.3-36.2178.9-66176.8164.500112.6W64W64-E66 VanDerWaalsContact C-N 3.3Å; W64-E66 PolarHBondContact NE1-OE2 3.18Å; W64-E66 PolarHBondContact O-N 2.76Å
67Y85.7Confident93.5Very high125 Ų12575.6 Ų75.649%0.4936%0.359SS..G310 helixtrans-105.29.6179.5-63.4-82.3000112.9W64 T65 L69 Q90W64-Y67 AromaticContact CD1-CD2 3.89Å; W64-Y67 AromaticContact CD2-CD2 3.74Å; W64-Y67 HydrophobicContact CD2-CD2 3.74Å; W64-Y67 HydrophobicContact CD2-CE2 4.33Å; W64-Y67 AromaticContact CE2-CD2 3.35Å; W64-Y67 AromaticContact CE2-CE2 3.51Å; W64-Y67 HydrophobicContact CE3-CD2 4.37Å; W64-Y67 HydrophobicContact CG-CD2 4.09Å; W64-Y67 HydrophobicContact CH2-CD2 4.33Å; W64-Y67 HydrophobicContact CH2-CE2 4.15Å; W64-Y67 AromaticContact CZ2-CD2 3.7Å; W64-Y67 HydrophobicContact CZ2-CD2 3.7Å; W64-Y67 AromaticContact CZ2-CE2 3.41Å; W64-Y67 HydrophobicContact CZ2-CE2 3.41Å; W64-Y67 VanDerWaalsContact CZ2-CE2 3.41Å; W64-Y67 AromaticContact NE1-CD2 3.43Å; W64-Y67 AromaticContact NE1-CE2 3.64Å; W64-Y67 PolarHBondContact O-N 3.38Å; T65-Y67 PolarHBondContact O-N 3.32Å; Y67-L69 PolarHBondContact O-N 3.22Å; Y67-L69 VanDerWaalsContact O-N 3.08Å; Y67-Q90 VanDerWaalsContact C-CD 3.5Å; Y67-Q90 WeakPolarHBondContact O-CG 3.48Å; Y67-Q90 PolarHBondContact O-NE2 2.81Å
68G87.9Confident93.2Very high19 Ų1978.6 Ų78.620%0.19637%0.373CS..THydrogen-bonded Turntrans57.224.4-176.900000113.8W64 T65 E88W64-G68 PolarHBondContact O-N 3.34Å; T65-G68 PolarHBondContact O-N 3.47Å; T65-G68 VanDerWaalsContact O-N 3.15Å; G68-E88 PolarHBondContact O-N 2.84Å
69L93.1Very high92.9Very high37 Ų3777.2 Ų77.219%0.19437%0.366CS..EExtended strand (participates in β ladder)trans-96.3138.7-177.5-66.1176.4000110.7W64 Y67 F71 T86 V87W64-L69 HydrophobicContact CB-CB 4.26Å; W64-L69 HydrophobicContact CE3-CD1 4.41Å; W64-L69 PolarHBondContact N-O 3.41Å; W64-L69 PolarHBondContact O-N 3.21Å; W64-L69 VanDerWaalsContact O-N 3.12Å; Y67-L69 PolarHBondContact O-N 3.22Å; Y67-L69 VanDerWaalsContact O-N 3.08Å; L69-F71 HydrophobicContact CB-CE2 3.91Å; L69-F71 HydrophobicContact CB-CZ 4.49Å; L69-F71 HydrophobicContact CD1-CE2 4.19Å; L69-F71 HydrophobicContact CD1-CZ 4.19Å; L69-T86 CarbonylContact C-O 3.51Å; L69-T86 WeakPolarHBondContact CA-O 3.33Å; L69-V87 HydrophobicContact CD2-CB 4.02Å; L69-V87 HydrophobicContact CD2-CG1 3.88Å; L69-V87 HydrophobicContact CD2-CG2 3.48Å; L69-V87 VanDerWaalsContact CD2-CG2 3.48Å
70T95.2Very high92.8Very high23 Ų2376.5 Ų76.514%0.14137%0.365CS..EExtended strand (participates in β ladder)trans-130.2121.3170.8-61.50000109.2K61 Y62 R63 I85 T86K61-T70 HydrophobicContact CD-CG2 4.38Å; K61-T70 VanDerWaalsContact CE-CG2 3.44Å; K61-T70 HydrophobicContact CG-CG2 3.99Å; Y62-T70 WeakPolarHBondContact O-CA 3.45Å; R63-T70 HydrophobicContact CG-CG2 4.13Å; T70-I85 WeakPolarHBondContact O-CA 3.2Å; T70-T86 PolarHBondContact N-O 2.82Å; T70-T86 PolarHBondContact O-N 2.84Å
71F95.9Very high92.7Very high75 Ų7578.3 Ų78.333%0.32937%0.373SS..EExtended strand (participates in β ladder)trans-102.8126.4173.7-62.3-89000108.1K61 Y62 L69 E84 I85K61-F71 CarbonylContact C-O 3.56Å; K61-F71 WeakPolarHBondContact CA-O 3.41Å; Y62-F71 HydrophobicContact CD1-CD2 4.28Å; Y62-F71 PolarHBondContact N-O 2.83Å; Y62-F71 PolarHBondContact O-N 2.81Å; L69-F71 HydrophobicContact CB-CE2 3.91Å; L69-F71 HydrophobicContact CB-CZ 4.49Å; L69-F71 HydrophobicContact CD1-CE2 4.19Å; L69-F71 HydrophobicContact CD1-CZ 4.19Å; F71-E84 CarbonylContact C-O 3.51Å; F71-I85 HydrophobicContact CD1-CD1 4.31Å; F71-I85 HydrophobicContact CD1-CG1 3.87Å; F71-I85 HydrophobicContact CD1-CG2 4.18Å; F71-I85 HydrophobicContact CE1-CD1 4.12Å; F71-I85 HydrophobicContact CE1-CG1 4.06Å; F71-I85 HydrophobicContact CE1-CG2 3.84Å; F71-I85 HydrophobicContact CZ-CG2 4.45Å
72T97.3Very high92.7Very high12 Ų1276.6 Ų76.67%0.07437%0.37CS..EExtended strand (participates in β ladder)trans-127125.2175.3-48.40000108.5E59 T60 K61 T83 E84E59-T72 HydrophobicContact CG-CG2 3.57Å; T60-T72 CarbonylContact O-C 3.56Å; T60-T72 VanDerWaalsContact O-CA 3.31Å; T60-T72 WeakPolarHBondContact O-CA 3.19Å; K61-T72 HydrophobicContact CB-CG2 4.38Å; T72-T83 CarbonylContact O-C 3.53Å; T72-T83 WeakPolarHBondContact O-CA 3.31Å; T72-E84 PolarHBondContact N-O 3.13Å; T72-E84 PolarHBondContact O-N 3.32Å
73E97.3Very high92.8Very high122 Ų12274.8 Ų74.857%0.5737%0.369SS*.EExtended strand (participates in β ladder)trans-116.5133.3172.1-68.9-172.4165.400108.9E59 T60 G82 T83E59-E73 CarbonylContact C-O 3.57Å; E59-E73 VanDerWaalsContact CA-O 3.27Å; E59-E73 WeakPolarHBondContact CA-O 3.49Å; T60-E73 PolarHBondContact N-O 3.34Å; T60-E73 PolarHBondContact O-N 3.46Å; E73-G82 CarbonylContact C-O 3.54Å; E73-G82 WeakPolarHBondContact CA-O 3.38Å; E73-T83 HydrophobicContact CG-CG2 4.48Å
74K97.5Very high93.1Very high91 Ų9172 Ų7240%0.39636%0.361SS..EExtended strand (participates in β ladder)trans-130.9128.5-179.4-176.4174-175.1163.60110.1L58 E59 L81 G82L58-K74 CarbonylContact O-C 3.54Å; L58-K74 WeakPolarHBondContact O-CA 3.39Å; E59-K74 HydrophobicContact CB-CB 4.42Å; E59-K74 HydrophobicContact CB-CG 4.3Å; E59-K74 HydrophobicContact CG-CB 4.35Å; E59-K74 IonicContact OE2-NZ 2.82Å; K74-L81 CarbonylContact O-C 3.54Å; K74-L81 WeakPolarHBondContact O-CA 3.31Å; K74-G82 PolarHBondContact N-O 3.43Å; K74-G82 PolarHBondContact O-N 3.35Å
75W96.5Very high93.5Very high138 Ų13869.8 Ų69.852%0.52336%0.356SS..EExtended strand (participates in β ladder)trans-122.6140.8172.8-172.834000109.9S57 L58 N79 L81S57-W75 CarbonylContact C-O 3.54Å; S57-W75 WeakPolarHBondContact CA-O 3.17Å; S57-W75 WeakPolarHBondContact CB-O 3.28Å; L58-W75 PolarHBondContact N-O 3.28Å; L58-W75 PolarHBondContact O-N 2.76Å; W75-N79 PolarHBondContact NE1-OD1 2.88Å; W75-L81 HydrophobicContact CG-CG 4.46Å
76N95.1Very high94.1Very high46 Ų4664.4 Ų64.425%0.24632%0.323CS..EExtended strand (participates in β ladder)trans-128167.5-178.970.925.7000112.4G56 D78 N79 T80G56-N76 CarbonylContact O-C 3.55Å; G56-N76 VanDerWaalsContact O-CA 3.24Å; G56-N76 WeakPolarHBondContact O-CA 3.48Å; G56-N76 WeakPolarHBondContact O-CB 3.31Å; N76-D78 PolarHBondContact O-N 3.31Å; N76-D78 PolarHBondContact OD1-N 2.99Å; N76-D78 VanDerWaalsContact OD1-N 3.12Å; N76-N79 WeakPolarHBondContact O-CA 3.49Å; N76-N79 PolarHBondContact O-N 3.48Å; N76-N79 PolarHBondContact OD1-N 2.75Å; N76-T80 PolarHBondContact N-O 3.44Å; N76-T80 PolarHBondContact OD1-N 2.85Å
77T93.7Very high94.6Very high89 Ų8959.1 Ų59.155%0.54630%0.301SS..THydrogen-bonded Turntrans-68.5-14.8-179.250.80000114.5T55 G56 N79T55-T77 WeakPolarHBondContact CA-OG1 3.45Å; G56-T77 VanDerWaalsContact N-CG2 3.34Å; G56-T77 PolarHBondContact N-OG1 2.68Å; G56-T77 PolarHBondContact O-N 2.88Å; T77-N79 PolarHBondContact O-N 2.88Å
78D90.7Very high94.9Very high84 Ų8456 Ų5645%0.44929%0.291SS..THydrogen-bonded Turntrans-80.66169.1-63.6-38.9000111.4K53 N76 T80K53-D78 IonicContact NZ-OD1 2.65Å; K53-D78 PolarHBondContact NZ-OD1 2.77Å; K53-D78 VanDerWaalsContact NZ-OD1 3.15Å; K53-D78 IonicContact NZ-OD2 3.5Å; N76-D78 PolarHBondContact O-N 3.31Å; N76-D78 PolarHBondContact OD1-N 2.99Å; N76-D78 VanDerWaalsContact OD1-N 3.12Å; D78-T80 VanDerWaalsContact C-N 3.29Å; D78-T80 PolarHBondContact O-N 2.74Å
79N91.8Very high95Very high46 Ų4658.8 Ų58.825%0.24630%0.301CS..  trans64.224.5-178.1-156.820.1000114.1W75 N76 T77 P105 N106W75-N79 PolarHBondContact NE1-OD1 2.88Å; N76-N79 WeakPolarHBondContact O-CA 3.49Å; N76-N79 PolarHBondContact O-N 3.48Å; N76-N79 PolarHBondContact OD1-N 2.75Å; T77-N79 PolarHBondContact O-N 2.88Å; N79-P105 WeakPolarHBondContact O-CD 3.31Å; N79-N106 PolarHBondContact ND2-OD1 2.88Å; N79-N106 VanDerWaalsContact ND2-OD1 3.09Å
80T94.5Very high94.5Very high36 Ų3661.7 Ų61.722%0.22131%0.314CS..  trans-84.5123.6172-51.70000109.7N76 D78 F103 S104N76-T80 PolarHBondContact N-O 3.44Å; N76-T80 PolarHBondContact OD1-N 2.85Å; D78-T80 VanDerWaalsContact C-N 3.29Å; D78-T80 PolarHBondContact O-N 2.74Å; T80-F103 WeakPolarHBondContact CA-O 3.45Å; T80-S104 PolarHBondContact OG1-OG 2.86Å; T80-S104 VanDerWaalsContact OG1-OG 3.07Å
81L95.8Very high93.9Very high74 Ų7467.1 Ų67.139%0.38734%0.341SS..EExtended strand (participates in β ladder)trans-94.4128.5168.3-59.5108.5000108.9K74 W75 S102 F103 P105K74-L81 CarbonylContact O-C 3.54Å; K74-L81 WeakPolarHBondContact O-CA 3.31Å; W75-L81 HydrophobicContact CG-CG 4.46Å; L81-S102 CarbonylContact O-C 3.54Å; L81-S102 VanDerWaalsContact O-CA 3.27Å; L81-S102 WeakPolarHBondContact O-CA 3.35Å; L81-F103 HydrophobicContact CD1-CD1 4.36Å; L81-F103 PolarHBondContact N-O 2.88Å; L81-F103 PolarHBondContact O-N 2.82Å; L81-P105 HydrophobicContact CD1-CG 3.66Å
82G96.3Very high93.4Very high18 Ų1865.5 Ų65.519%0.18634%0.341CS..EExtended strand (participates in β ladder)trans-117.4137173.200000110.3E73 K74 S101E73-G82 CarbonylContact C-O 3.54Å; E73-G82 WeakPolarHBondContact CA-O 3.38Å; K74-G82 PolarHBondContact N-O 3.43Å; K74-G82 PolarHBondContact O-N 3.35Å; G82-S101 CarbonylContact C-O 3.48Å; G82-S101 VanDerWaalsContact CA-O 3.29Å; G82-S101 WeakPolarHBondContact CA-O 3.45Å
83T97Very high92.9Very high52 Ų5274.4 Ų74.432%0.31937%0.374SS..EExtended strand (participates in β ladder)trans-128.4119.7176.3-56.20000108.3T72 E73 I85 S101T72-T83 CarbonylContact O-C 3.53Å; T72-T83 WeakPolarHBondContact O-CA 3.31Å; E73-T83 HydrophobicContact CG-CG2 4.48Å; T83-I85 HydrophobicContact CG2-CG1 4.44Å; T83-S101 PolarHBondContact N-O 2.75Å; T83-S101 PolarHBondContact O-N 2.77Å
84E97.4Very high92.5Very high55 Ų5568.9 Ų68.926%0.25735%0.35SS..EExtended strand (participates in β ladder)trans-116.8124.7176-171.2-177.983.300109.7F71 T72 T98 F99 D100 K115F71-E84 CarbonylContact C-O 3.51Å; T72-E84 PolarHBondContact N-O 3.13Å; T72-E84 PolarHBondContact O-N 3.32Å; E84-T98 HydrophobicContact CG-CG2 3.39Å; E84-F99 CarbonylContact C-O 3.54Å; E84-F99 VanDerWaalsContact CA-O 3.3Å; E84-F99 WeakPolarHBondContact CA-O 3.26Å; E84-D100 HydrophobicContact CG-CB 4.47Å; E84-K115 IonicContact OE2-NZ 3.74Å
85I96.5Very high92.3Very high56 Ų5666.4 Ų66.429%0.28734%0.341SS..EExtended strand (participates in β ladder)trans-115.8117.2173.6-55175.2000107.1T70 F71 T83 T98 F99T70-I85 WeakPolarHBondContact O-CA 3.2Å; F71-I85 HydrophobicContact CD1-CD1 4.31Å; F71-I85 HydrophobicContact CD1-CG1 3.87Å; F71-I85 HydrophobicContact CD1-CG2 4.18Å; F71-I85 HydrophobicContact CE1-CD1 4.12Å; F71-I85 HydrophobicContact CE1-CG1 4.06Å; F71-I85 HydrophobicContact CE1-CG2 3.84Å; F71-I85 HydrophobicContact CZ-CG2 4.45Å; T83-I85 HydrophobicContact CG2-CG1 4.44Å; I85-T98 CarbonylContact O-C 3.49Å; I85-T98 WeakPolarHBondContact O-CA 3.42Å; I85-F99 PolarHBondContact N-O 2.91Å; I85-F99 PolarHBondContact O-N 2.77Å
86T96.1Very high92.3Very high3 Ų363.7 Ų63.72%0.01833%0.332CS..EExtended strand (participates in β ladder)trans-116.5132.2179.8-69.60000110.5L69 T70 E88 K96 L97 T98L69-T86 CarbonylContact C-O 3.51Å; L69-T86 WeakPolarHBondContact CA-O 3.33Å; T70-T86 PolarHBondContact N-O 2.82Å; T70-T86 PolarHBondContact O-N 2.84Å; T86-E88 HydrophobicContact CG2-CG 3.82Å; T86-K96 HydrophobicContact CG2-CD 4.35Å; T86-K96 HydrophobicContact CG2-CG 4.16Å; T86-L97 CarbonylContact C-O 3.52Å; T86-L97 WeakPolarHBondContact CA-O 3.5Å; T86-T98 VanDerWaalsContact OG1-CG2 3.32Å; T86-T98 WeakPolarHBondContact OG1-CG2 3.35Å; T86-T98 PolarHBondContact OG1-OG1 2.8Å
87V94.8Very high92.3Very high40 Ų4064 Ų6424%0.24233%0.334CS..EExtended strand (participates in β ladder)trans-115.9123.9172.7-165.60000108.1L69 Q90 K96 L97L69-V87 HydrophobicContact CD2-CB 4.02Å; L69-V87 HydrophobicContact CD2-CG1 3.88Å; L69-V87 HydrophobicContact CD2-CG2 3.48Å; L69-V87 VanDerWaalsContact CD2-CG2 3.48Å; V87-Q90 HydrophobicContact CG1-CB 3.93Å; V87-Q90 HydrophobicContact CG1-CG 3.86Å; V87-K96 WeakPolarHBondContact O-CA 3.45Å; V87-L97 PolarHBondContact N-O 3.13Å; V87-L97 PolarHBondContact O-N 2.89Å
88E93Very high92.5Very high59 Ų5960.2 Ų60.228%0.27631%0.31SS..EExtended strand (participates in β ladder)trans-121.7138.4177.9-67.9-172.5-136.900111.6G68 T86 Q90 K96G68-E88 PolarHBondContact O-N 2.84Å; T86-E88 HydrophobicContact CG2-CG 3.82Å; E88-Q90 PolarHBondContact O-N 2.82Å; E88-K96 HydrophobicContact CG-CB 4.05Å; E88-K96 HydrophobicContact CG-CD 3.9Å; E88-K96 HydrophobicContact CG-CG 3.76Å; E88-K96 WeakPolarHBondContact OE1-CE 3.36Å; E88-K96 IonicContact OE1-NZ 3.15Å; E88-K96 PolarHBondContact OE1-NZ 3.1Å
89D88.7Confident92.7Very high78 Ų7860.5 Ų60.542%0.41731%0.308SS..SBendtrans59.29.8169.8-65-35.5000116.8G94 L95D89-G94 WeakPolarHBondContact OD1-CA 3.22Å; D89-G94 PolarHBondContact OD1-N 2.8Å; D89-L95 PolarHBondContact N-O 2.82Å
90Q83.2Confident92.9Very high99 Ų9960.1 Ų60.146%0.46331%0.306SS..SBendtrans-82.2-50.8-179.2-68.2-59.9-40.100114.2Y67 V87 E88Y67-Q90 VanDerWaalsContact C-CD 3.5Å; Y67-Q90 WeakPolarHBondContact O-CG 3.48Å; Y67-Q90 PolarHBondContact O-NE2 2.81Å; V87-Q90 HydrophobicContact CG1-CB 3.93Å; V87-Q90 HydrophobicContact CG1-CG 3.86Å; E88-Q90 PolarHBondContact O-N 2.82Å
91L82.8Confident92.9Very high137 Ų13760.3 Ų60.372%0.71731%0.308SS*.SBendtrans-78.6-35.7-179.4-61.6177.1000111.9L95 L97L91-L95 HydrophobicContact CB-CD2 3.93Å; L91-L95 HydrophobicContact CD1-CD2 4.24Å; L91-L97 HydrophobicContact CD1-CD1 3.73Å
92A86.3Confident92.8Very high40 Ų4058.4 Ų58.433%0.33130%0.302SS..SBendtrans-156.7142.5175.500000109.7G94 L95A92-G94 PolarHBondContact O-N 3.33Å; A92-L95 HydrophobicContact CB-CB 4.14Å; A92-L95 VanDerWaalsContact O-CB 3.24Å; A92-L95 WeakPolarHBondContact O-CB 3.43Å; A92-L95 PolarHBondContact O-N 2.88Å
93R86.8Confident92.7Very high199 Ų19961.4 Ų61.475%0.75131%0.31SS*.THydrogen-bonded Turntrans-60.8126.4174-172.7178.6-180-174.3-0.1110.5R120R93-R120 PolarHBondContact O-NE 2.98Å; R93-R120 PolarHBondContact O-NH2 3.37Å
94G87.9Confident92.5Very high6 Ų659.9 Ų59.96%0.06230%0.301CS..THydrogen-bonded Turntrans92.3-8.6-175.300000114.3D89 A92 Y118 K119D89-G94 WeakPolarHBondContact OD1-CA 3.22Å; D89-G94 PolarHBondContact OD1-N 2.8Å; A92-G94 PolarHBondContact O-N 3.33Å; G94-Y118 WeakPolarHBondContact O-CA 2.85Å; G94-K119 WeakPolarHBondContact CA-O 3.18Å; G94-K119 PolarHBondContact O-N 3.44Å
95L93.6Very high92.1Very high40 Ų4059.9 Ų59.921%0.20931%0.306CS..EExtended strand (participates in β ladder)trans-85.4132.1179.5-170.673.4000110.7D89 L91 A92 L97 G117 Y118D89-L95 PolarHBondContact N-O 2.82Å; L91-L95 HydrophobicContact CB-CD2 3.93Å; L91-L95 HydrophobicContact CD1-CD2 4.24Å; A92-L95 HydrophobicContact CB-CB 4.14Å; A92-L95 VanDerWaalsContact O-CB 3.24Å; A92-L95 WeakPolarHBondContact O-CB 3.43Å; A92-L95 PolarHBondContact O-N 2.88Å; L95-L97 HydrophobicContact CD1-CD2 4.4Å; L95-L97 HydrophobicContact CD2-CD1 4.27Å; L95-L97 HydrophobicContact CD2-CD2 4.36Å; L95-L97 HydrophobicContact CD2-CG 4.17Å; L95-L97 HydrophobicContact CG-CD2 4.35Å; L95-L97 HydrophobicContact CG-CG 4.29Å; L95-G117 CarbonylContact C-O 3.53Å; L95-G117 WeakPolarHBondContact CA-O 3.33Å; L95-Y118 HydrophobicContact CB-CD2 4.19Å; L95-Y118 HydrophobicContact CD1-CD2 4.19Å
96K95.8Very high91.8Very high80 Ų8063 Ų6335%0.34832%0.323SS..EExtended strand (participates in β ladder)trans-125.4124.3172.2174.8166.7-179.2143.60108.7T86 V87 E88 T116 G117T86-K96 HydrophobicContact CG2-CD 4.35Å; T86-K96 HydrophobicContact CG2-CG 4.16Å; V87-K96 WeakPolarHBondContact O-CA 3.45Å; E88-K96 HydrophobicContact CG-CB 4.05Å; E88-K96 HydrophobicContact CG-CD 3.9Å; E88-K96 HydrophobicContact CG-CG 3.76Å; E88-K96 WeakPolarHBondContact OE1-CE 3.36Å; E88-K96 IonicContact OE1-NZ 3.15Å; E88-K96 PolarHBondContact OE1-NZ 3.1Å; K96-T116 CarbonylContact O-C 3.51Å; K96-T116 WeakPolarHBondContact O-CA 3.3Å; K96-G117 PolarHBondContact N-O 3.28Å; K96-G117 PolarHBondContact O-N 3.17Å
97L96.1Very high91.5Very high53 Ų5368 Ų6828%0.27735%0.354SS..EExtended strand (participates in β ladder)trans-116.3129.2173.1-59.7177.3000108.2T86 V87 L91 L95 T116T86-L97 CarbonylContact C-O 3.52Å; T86-L97 WeakPolarHBondContact CA-O 3.5Å; V87-L97 PolarHBondContact N-O 3.13Å; V87-L97 PolarHBondContact O-N 2.89Å; L91-L97 HydrophobicContact CD1-CD1 3.73Å; L95-L97 HydrophobicContact CD1-CD2 4.4Å; L95-L97 HydrophobicContact CD2-CD1 4.27Å; L95-L97 HydrophobicContact CD2-CD2 4.36Å; L95-L97 HydrophobicContact CD2-CG 4.17Å; L95-L97 HydrophobicContact CG-CD2 4.35Å; L95-L97 HydrophobicContact CG-CG 4.29Å; L97-T116 HydrophobicContact CD2-CG2 3.49Å; L97-T116 VanDerWaalsContact CD2-CG2 3.49Å
98T96.8Very high91.1Very high9 Ų968.1 Ų68.16%0.05536%0.364CS..EExtended strand (participates in β ladder)trans-129.8121.6178.5-62.50000109.2E84 I85 T86 K115E84-T98 HydrophobicContact CG-CG2 3.39Å; I85-T98 CarbonylContact O-C 3.49Å; I85-T98 WeakPolarHBondContact O-CA 3.42Å; T86-T98 VanDerWaalsContact OG1-CG2 3.32Å; T86-T98 WeakPolarHBondContact OG1-CG2 3.35Å; T86-T98 PolarHBondContact OG1-OG1 2.8Å; T98-K115 HydrophobicContact CG2-CD 4.39Å; T98-K115 PolarHBondContact N-O 3.34Å; T98-K115 PolarHBondContact O-N 2.98Å
99F96.4Very high90.9Very high91 Ų9170.6 Ų70.640%0.39937%0.373SS..EExtended strand (participates in β ladder)trans-98.2121167.4178.7-98.8000108.3E84 I85 A112 I114E84-F99 CarbonylContact C-O 3.54Å; E84-F99 VanDerWaalsContact CA-O 3.3Å; E84-F99 WeakPolarHBondContact CA-O 3.26Å; I85-F99 PolarHBondContact N-O 2.91Å; I85-F99 PolarHBondContact O-N 2.77Å; F99-A112 HydrophobicContact CE2-CB 4.47Å; F99-I114 HydrophobicContact CD2-CG1 4.11Å
100D95.5Very high91Very high38 Ų3873.5 Ų73.520%0.20338%0.383CS..EExtended strand (participates in β ladder)trans-123.5117.9-176.5179.8-7.2000108E84 A112 K113 K115E84-D100 HydrophobicContact CG-CB 4.47Å; D100-A112 CarbonylContact O-C 3.58Å; D100-A112 WeakPolarHBondContact O-CA 3.39Å; D100-K113 HydrophobicContact CB-CB 4.31Å; D100-K113 PolarHBondContact N-O 2.85Å; D100-K113 PolarHBondContact O-N 2.77Å; D100-K115 IonicContact OD2-NZ 2.94Å; D100-K115 PolarHBondContact OD2-NZ 3.24Å
101S94.7Very high91.3Very high39 Ų3969.8 Ų69.827%0.27337%0.366SS..EExtended strand (participates in β ladder)trans-123.7140.5-178.9-179.50000109.6G82 T83 N111G82-S101 CarbonylContact C-O 3.48Å; G82-S101 VanDerWaalsContact CA-O 3.29Å; G82-S101 WeakPolarHBondContact CA-O 3.45Å; T83-S101 PolarHBondContact N-O 2.75Å; T83-S101 PolarHBondContact O-N 2.77Å; S101-N111 CarbonylContact C-O 3.48Å; S101-N111 WeakPolarHBondContact CA-O 3.5Å
102S94Very high91.8Very high35 Ų3564.4 Ų64.425%0.24534%0.341CS..EExtended strand (participates in β ladder)trans-132.1141.5173.662.40000111.6L81 K110 N111L81-S102 CarbonylContact O-C 3.54Å; L81-S102 VanDerWaalsContact O-CA 3.27Å; L81-S102 WeakPolarHBondContact O-CA 3.35Å; S102-K110 WeakPolarHBondContact O-CA 3.3Å; S102-N111 PolarHBondContact N-O 2.96Å; S102-N111 PolarHBondContact O-N 2.79Å
103F93Very high92.3Very high80 Ų8065.8 Ų65.835%0.35134%0.339SS..EExtended strand (participates in β ladder)trans-136.4128.2179.8177.5-124.4000110.3T80 L81 P105 K109 K110T80-F103 WeakPolarHBondContact CA-O 3.45Å; L81-F103 HydrophobicContact CD1-CD1 4.36Å; L81-F103 PolarHBondContact N-O 2.88Å; L81-F103 PolarHBondContact O-N 2.82Å; F103-P105 HydrophobicContact CD1-CG 4Å; F103-P105 HydrophobicContact CE1-CB 4.07Å; F103-P105 HydrophobicContact CE1-CG 3.72Å; F103-P105 HydrophobicContact CZ-CB 4.35Å; F103-P105 HydrophobicContact CZ-CG 4.42Å; F103-K109 WeakPolarHBondContact CA-O 3.33Å; F103-K110 HydrophobicContact CD2-CD 4.38Å; F103-K110 HydrophobicContact CD2-CG 3.58Å; F103-K110 HydrophobicContact CE2-CG 4.14Å
104S92.7Very high92.7Very high21 Ų2159 Ų5915%0.14732%0.318CS..EExtended strand (participates in β ladder)trans-111.3101.3173.5-64.30000109.5T80 N106 T107 G108 K109T80-S104 PolarHBondContact OG1-OG 2.86Å; T80-S104 VanDerWaalsContact OG1-OG 3.07Å; S104-N106 PolarHBondContact O-N 2.88Å; S104-T107 WeakPolarHBondContact CB-OG1 3.31Å; S104-T107 PolarHBondContact O-N 3.12Å; S104-T107 PolarHBondContact O-OG1 2.85Å; S104-G108 WeakPolarHBondContact O-CA 3Å; S104-G108 PolarHBondContact O-N 3.41Å; S104-K109 PolarHBondContact N-O 3.36Å
105P90Very high93.1Very high55 Ų5561.6 Ų61.636%0.35733%0.327SS..THydrogen-bonded Turntrans-57-37-177.1-23.334.3000112.9N79 L81 F103 T107 G108N79-P105 WeakPolarHBondContact O-CD 3.31Å; L81-P105 HydrophobicContact CD1-CG 3.66Å; F103-P105 HydrophobicContact CD1-CG 4Å; F103-P105 HydrophobicContact CE1-CB 4.07Å; F103-P105 HydrophobicContact CE1-CG 3.72Å; F103-P105 HydrophobicContact CZ-CB 4.35Å; F103-P105 HydrophobicContact CZ-CG 4.42Å; P105-T107 VanDerWaalsContact C-N 3.25Å; P105-T107 PolarHBondContact O-N 2.76Å; P105-G108 PolarHBondContact O-N 2.84Å
106N90.1Very high93.2Very high120 Ų12061.7 Ų61.764%0.64233%0.329SS*.THydrogen-bonded Turntrans-62.8-29.6-177.6-63.3-10.3000113.4N79 S104N79-N106 PolarHBondContact ND2-OD1 2.88Å; N79-N106 VanDerWaalsContact ND2-OD1 3.09Å; S104-N106 PolarHBondContact O-N 2.88Å
107T88.9Confident93.2Very high108 Ų10858.9 Ų58.966%0.66332%0.324SS*.THydrogen-bonded Turntrans-115.1-9.9-177.858.80000112.9S104 P105 K109S104-T107 WeakPolarHBondContact CB-OG1 3.31Å; S104-T107 PolarHBondContact O-N 3.12Å; S104-T107 PolarHBondContact O-OG1 2.85Å; P105-T107 VanDerWaalsContact C-N 3.25Å; P105-T107 PolarHBondContact O-N 2.76Å; T107-K109 PolarHBondContact O-N 3.4Å; T107-K109 VanDerWaalsContact OG1-CB 3.32Å; T107-K109 WeakPolarHBondContact OG1-CB 3.37Å; T107-K109 PolarHBondContact OG1-N 3.13Å
108G86.1Confident93.2Very high44 Ų4460.1 Ų60.145%0.45433%0.325SS..THydrogen-bonded Turntrans68.11.8-168.600000114.3S104 P105 K110S104-G108 WeakPolarHBondContact O-CA 3Å; S104-G108 PolarHBondContact O-N 3.41Å; P105-G108 PolarHBondContact O-N 2.84Å; G108-K110 PolarHBondContact O-N 2.75Å
109K89.1Confident93Very high110 Ų11063.8 Ų63.848%0.47834%0.34SS..EExtended strand (participates in β ladder)trans-63.3128.2-177.6-172.6176.8-178.3176.70110.2F103 S104 T107F103-K109 WeakPolarHBondContact CA-O 3.33Å; S104-K109 PolarHBondContact N-O 3.36Å; T107-K109 PolarHBondContact O-N 3.4Å; T107-K109 VanDerWaalsContact OG1-CB 3.32Å; T107-K109 WeakPolarHBondContact OG1-CB 3.37Å; T107-K109 PolarHBondContact OG1-N 3.13Å
110K90.5Very high92.8Very high140 Ų14064.9 Ų64.961%0.60934%0.342SS*.EExtended strand (participates in β ladder)trans-120.9138.6175-67.5172.8-175.2-1780108.7S102 F103 G108S102-K110 WeakPolarHBondContact O-CA 3.3Å; F103-K110 HydrophobicContact CD2-CD 4.38Å; F103-K110 HydrophobicContact CD2-CG 3.58Å; F103-K110 HydrophobicContact CE2-CG 4.14Å; G108-K110 PolarHBondContact O-N 2.75Å
111N90.9Very high92.5Very high21 Ų2168.6 Ų68.611%0.11236%0.358CS..EExtended strand (participates in β ladder)trans-137.9141169.1176.4-55.4000107.7S101 S102 K113 D130S101-N111 CarbonylContact C-O 3.48Å; S101-N111 WeakPolarHBondContact CA-O 3.5Å; S102-N111 PolarHBondContact N-O 2.96Å; S102-N111 PolarHBondContact O-N 2.79Å; N111-K113 WeakPolarHBondContact OD1-CE 3.38Å; N111-K113 WeakPolarHBondContact OD1-CG 3.47Å; N111-D130 PolarHBondContact ND2-OD1 2.67Å; N111-D130 PolarHBondContact OD1-OD1 3.02Å
112A93.3Very high92.4Very high24 Ų2469.2 Ų69.220%0.19836%0.356CS..EExtended strand (participates in β ladder)trans-129142.2172.300000109.6F99 D100 F131F99-A112 HydrophobicContact CE2-CB 4.47Å; D100-A112 CarbonylContact O-C 3.58Å; D100-A112 WeakPolarHBondContact O-CA 3.39Å; A112-F131 HydrophobicContact CB-CB 4.47Å; A112-F131 PolarHBondContact N-O 2.69Å; A112-F131 WeakPolarHBondContact O-CA 3.49Å; A112-F131 WeakPolarHBondContact O-CB 3.33Å; A112-F131 WeakPolarHBondContact O-CD2 3.13Å; A112-F131 PolarHBondContact O-N 3.34Å
113K95.4Very high92.4Very high68 Ų6870.8 Ų70.830%0.29636%0.361SS..EExtended strand (participates in β ladder)trans-131.5133.9175.5-48.3-169-170.5-153.80109.8D100 N111 M129 D130D100-K113 HydrophobicContact CB-CB 4.31Å; D100-K113 PolarHBondContact N-O 2.85Å; D100-K113 PolarHBondContact O-N 2.77Å; N111-K113 WeakPolarHBondContact OD1-CE 3.38Å; N111-K113 WeakPolarHBondContact OD1-CG 3.47Å; K113-M129 CarbonylContact C-O 3.5Å; K113-M129 WeakPolarHBondContact CA-O 3.21Å; K113-D130 HydrophobicContact CD-CB 4.4Å; K113-D130 VanDerWaalsContact CE-CG 3.5Å; K113-D130 WeakPolarHBondContact CE-OD2 3.47Å; K113-D130 HydrophobicContact CG-CB 4.34Å; K113-D130 IonicContact NZ-OD1 3.95Å; K113-D130 IonicContact NZ-OD2 2.67Å; K113-D130 PolarHBondContact NZ-OD2 2.73Å
114I96Very high92.6Very high57 Ų5767.9 Ų67.929%0.29235%0.349SS..EExtended strand (participates in β ladder)trans-109.2113.1170.7-59.7175.2000106.7F99 T116 D128 M129 F131F99-I114 HydrophobicContact CD2-CG1 4.11Å; I114-T116 HydrophobicContact CG2-CG2 4.26Å; I114-D128 CarbonylContact O-C 3.52Å; I114-D128 VanDerWaalsContact O-CA 3.31Å; I114-D128 WeakPolarHBondContact O-CA 3.33Å; I114-M129 HydrophobicContact CB-CE 4.16Å; I114-M129 HydrophobicContact CD1-CE 4.37Å; I114-M129 HydrophobicContact CG2-CE 4.1Å; I114-M129 PolarHBondContact N-O 2.78Å; I114-M129 PolarHBondContact O-N 2.93Å; I114-F131 HydrophobicContact CD1-CE2 3.8Å; I114-F131 HydrophobicContact CD1-CZ 4.33Å; I114-F131 HydrophobicContact CG1-CE2 4Å
115K96.4Very high92.8Very high60 Ų6070.4 Ų70.426%0.26136%0.361SS..EExtended strand (participates in β ladder)trans-105.3130.7177.7-51.6169.5-167155.80108.5E84 T98 D100 D128E84-K115 IonicContact OE2-NZ 3.74Å; T98-K115 HydrophobicContact CG2-CD 4.39Å; T98-K115 PolarHBondContact N-O 3.34Å; T98-K115 PolarHBondContact O-N 2.98Å; D100-K115 IonicContact OD2-NZ 2.94Å; D100-K115 PolarHBondContact OD2-NZ 3.24Å; K115-D128 WeakPolarHBondContact CA-OD1 3.48Å; K115-D128 VanDerWaalsContact CB-OD1 3.23Å; K115-D128 WeakPolarHBondContact CB-OD1 3.36Å; K115-D128 HydrophobicContact CG-CB 4.36Å
116T95.9Very high93.1Very high42 Ų4268.8 Ų68.826%0.25835%0.354SS..EExtended strand (participates in β ladder)trans-124.5130.6176.467.10000108.2K96 L97 I114 G126 C127K96-T116 CarbonylContact O-C 3.51Å; K96-T116 WeakPolarHBondContact O-CA 3.3Å; L97-T116 HydrophobicContact CD2-CG2 3.49Å; L97-T116 VanDerWaalsContact CD2-CG2 3.49Å; I114-T116 HydrophobicContact CG2-CG2 4.26Å; T116-G126 CarbonylContact O-C 3.6Å; T116-G126 VanDerWaalsContact O-CA 3.28Å; T116-G126 WeakPolarHBondContact O-CA 3.18Å; T116-C127 PolarHBondContact N-O 2.76Å; T116-C127 PolarHBondContact O-N 2.83Å; T116-C127 WeakPolarHBondContact OG1-CB 3.5Å; T116-C127 PolarHBondContact OG1-O 2.91Å
117G96.3Very high93.4Very high22 Ų2265.3 Ų65.323%0.22734%0.339CS..EExtended strand (participates in β ladder)trans-130.5135.2178.800000109.4L95 K96 L125L95-G117 CarbonylContact C-O 3.53Å; L95-G117 WeakPolarHBondContact CA-O 3.33Å; K96-G117 PolarHBondContact N-O 3.28Å; K96-G117 PolarHBondContact O-N 3.17Å; G117-L125 CarbonylContact C-O 3.53Å; G117-L125 VanDerWaalsContact CA-O 3.32Å; G117-L125 WeakPolarHBondContact CA-O 3.28Å
118Y94.8Very high93.7Very high78 Ų7861.7 Ų61.731%0.30632%0.315SS..EExtended strand (participates in β ladder)trans-132.2118.6174.8-178.4-110000110G94 L95 R120 L125G94-Y118 WeakPolarHBondContact O-CA 2.85Å; L95-Y118 HydrophobicContact CB-CD2 4.19Å; L95-Y118 HydrophobicContact CD1-CD2 4.19Å; Y118-R120 HydrophobicContact CD1-CG 4.44Å; Y118-R120 HydrophobicContact CE1-CB 4.44Å; Y118-R120 HydrophobicContact CE1-CG 3.54Å; Y118-R120 HydrophobicContact CE2-CG 4.26Å; Y118-R120 VanDerWaalsContact CZ-CG 3.44Å; Y118-R120 VanDerWaalsContact OH-CG 3.27Å; Y118-R120 WeakPolarHBondContact OH-CG 3.22Å; Y118-R120 PolarHBondContact OH-NE 2.81Å; Y118-L125 HydrophobicContact CD1-CD1 4.39Å; Y118-L125 PolarHBondContact N-O 2.84Å; Y118-L125 PolarHBondContact O-N 2.79Å
119K93.9Very high94Very high86 Ų8662.7 Ų62.737%0.37431%0.309SS..EExtended strand (participates in β ladder)trans-118.6128.6-176.576.3-167.2172.3-171.10110.8V3 G94V3-K119 HydrophobicContact CG1-CB 3.63Å; V3-K119 HydrophobicContact CG1-CD 4.3Å; V3-K119 HydrophobicContact CG1-CG 4.03Å; G94-K119 WeakPolarHBondContact CA-O 3.18Å; G94-K119 PolarHBondContact O-N 3.44Å
120R90.3Very high94.2Very high114 Ų11459.1 Ų59.143%0.4330%0.295SS..EExtended strand (participates in β ladder)trans-135.5174.8173.6-79.9-72.1178.1152.11109.3R93 Y118 H122 I123R93-R120 PolarHBondContact O-NE 2.98Å; R93-R120 PolarHBondContact O-NH2 3.37Å; Y118-R120 HydrophobicContact CD1-CG 4.44Å; Y118-R120 HydrophobicContact CE1-CB 4.44Å; Y118-R120 HydrophobicContact CE1-CG 3.54Å; Y118-R120 HydrophobicContact CE2-CG 4.26Å; Y118-R120 VanDerWaalsContact CZ-CG 3.44Å; Y118-R120 VanDerWaalsContact OH-CG 3.27Å; Y118-R120 WeakPolarHBondContact OH-CG 3.22Å; Y118-R120 PolarHBondContact OH-NE 2.81Å; R120-H122 PolarHBondContact O-N 3.03Å; R120-I123 PolarHBondContact N-O 2.85Å; R120-I123 PolarHBondContact O-N 3.01Å
121E90.7Very high94Very high116 Ų11656.6 Ų56.654%0.54228%0.284SS..THydrogen-bonded Turntrans-54.2133.4168.7-59-162.2136.400108.9M1 I123M1-E121 PolarHBondContact N-OE1 2.96Å; E121-I123 PolarHBondContact O-N 2.97Å
122H91.7Very high93.5Very high53 Ų5358.7 Ų58.725%0.24530%0.295CS..THydrogen-bonded Turntrans65.9-10-179.9-53.1-68.6000117.9M1 R120 L144 G145 Y146M1-H122 PolarHBondContact SD-CE1 3.1Å; R120-H122 PolarHBondContact O-N 3.03Å; H122-L144 CarbonylContact O-C 3.55Å; H122-L144 VanDerWaalsContact O-CA 3.29Å; H122-L144 WeakPolarHBondContact O-CA 3.31Å; H122-G145 VanDerWaalsContact CA-O 3.31Å; H122-G145 WeakPolarHBondContact CA-O 3.29Å; H122-G145 VanDerWaalsContact CB-O 3.29Å; H122-G145 WeakPolarHBondContact CB-O 3.49Å; H122-G145 PolarHBondContact ND1-O 2.82Å; H122-G145 PolarHBondContact O-N 2.65Å; H122-Y146 AromaticContact CE1-CD2 3.79Å; H122-Y146 AromaticContact ND1-CD2 3.87Å
123I94.3Very high92.5Very high67 Ų6764.4 Ų64.434%0.34432%0.321SS..EExtended strand (participates in β ladder)trans-136.5132.2-173.1-53.1-177.9000111.2R120 E121 L125 L142 L144R120-I123 PolarHBondContact N-O 2.85Å; R120-I123 PolarHBondContact O-N 3.01Å; E121-I123 PolarHBondContact O-N 2.97Å; I123-L125 HydrophobicContact CG2-CD1 4.19Å; I123-L125 HydrophobicContact CG2-CG 3.95Å; I123-L142 HydrophobicContact CG2-CD1 3.89Å; I123-L144 HydrophobicContact CB-CD2 4.43Å; I123-L144 HydrophobicContact CD1-CD2 4.37Å; I123-L144 HydrophobicContact CG1-CD2 3.8Å; I123-L144 HydrophobicContact CG2-CD2 4.32Å
124N96.6Very high91.5Very high19 Ų1965.1 Ų65.110%0.10234%0.34CS..EExtended strand (participates in β ladder)trans-131.8115.6169.2-170.2-29.3000109.3P4 P5 T6 L142 V143P4-N124 HydrophobicContact CB-CB 4.5Å; P4-N124 HydrophobicContact CG-CB 3.9Å; P4-N124 WeakPolarHBondContact O-CB 3.43Å; P4-N124 PolarHBondContact O-ND2 3.21Å; P5-N124 VanDerWaalsContact C-ND2 3.31Å; P5-N124 PolarHBondContact O-ND2 3.17Å; T6-N124 PolarHBondContact N-ND2 3.04Å; N124-L142 CarbonylContact O-C 3.57Å; N124-L142 WeakPolarHBondContact O-CA 3.23Å; N124-V143 HydrophobicContact CB-CB 4.39Å; N124-V143 PolarHBondContact N-O 3.44Å; N124-V143 PolarHBondContact O-N 2.98Å
125L96.6Very high90.9Very high75 Ų7563.5 Ų63.539%0.39334%0.337SS..EExtended strand (participates in β ladder)trans-108.9140.1-179.2-74.4165.7000109.4G117 Y118 I123 A141 L142G117-L125 CarbonylContact C-O 3.53Å; G117-L125 VanDerWaalsContact CA-O 3.32Å; G117-L125 WeakPolarHBondContact CA-O 3.28Å; Y118-L125 HydrophobicContact CD1-CD1 4.39Å; Y118-L125 PolarHBondContact N-O 2.84Å; Y118-L125 PolarHBondContact O-N 2.79Å; I123-L125 HydrophobicContact CG2-CD1 4.19Å; I123-L125 HydrophobicContact CG2-CG 3.95Å; L125-A141 CarbonylContact C-O 3.5Å; L125-A141 WeakPolarHBondContact CA-O 3.36Å; L125-L142 HydrophobicContact CD2-CB 3.97Å; L125-L142 HydrophobicContact CD2-CD1 3.44Å; L125-L142 VanDerWaalsContact CD2-CD1 3.44Å; L125-L142 HydrophobicContact CD2-CG 4.18Å; L125-L142 HydrophobicContact CG-CD1 4.02Å
126G96.5Very high90.6Very high21 Ų2163.1 Ų63.122%0.21634%0.341CS..EExtended strand (participates in β ladder)trans-134.4138.3172.300000110.6T116 G140 A141T116-G126 CarbonylContact O-C 3.6Å; T116-G126 VanDerWaalsContact O-CA 3.28Å; T116-G126 WeakPolarHBondContact O-CA 3.18Å; G126-G140 CarbonylContact O-C 3.52Å; G126-G140 WeakPolarHBondContact O-CA 3.48Å; G126-A141 PolarHBondContact N-O 2.72Å; G126-A141 PolarHBondContact O-N 3.48Å
127C96.2Very high90.5Very high47 Ų4762.3 Ų62.332%0.31834%0.337SS..EExtended strand (participates in β ladder)trans-139.7116.6169.6-177.90000108.7T116 R139T116-C127 PolarHBondContact N-O 2.76Å; T116-C127 PolarHBondContact O-N 2.83Å; T116-C127 WeakPolarHBondContact OG1-CB 3.5Å; T116-C127 PolarHBondContact OG1-O 2.91Å; C127-R139 CarbonylContact C-O 3.43Å; C127-R139 WeakPolarHBondContact CA-O 3.2Å
128D95.5Very high90.4Very high32 Ų3264.5 Ų64.517%0.17134%0.343CS..EExtended strand (participates in β ladder)trans-113132.5178.5-52.1-33.3000109.5I114 K115 I138 R139I114-D128 CarbonylContact O-C 3.52Å; I114-D128 VanDerWaalsContact O-CA 3.31Å; I114-D128 WeakPolarHBondContact O-CA 3.33Å; K115-D128 WeakPolarHBondContact CA-OD1 3.48Å; K115-D128 VanDerWaalsContact CB-OD1 3.23Å; K115-D128 WeakPolarHBondContact CB-OD1 3.36Å; K115-D128 HydrophobicContact CG-CB 4.36Å; D128-I138 CarbonylContact O-C 3.6Å; D128-I138 WeakPolarHBondContact O-CA 3.38Å; D128-R139 HydrophobicContact CB-CB 4.31Å; D128-R139 PolarHBondContact N-O 2.85Å; D128-R139 PolarHBondContact O-N 2.86Å; D128-R139 IonicContact OD2-CZ 3.97Å; D128-R139 IonicContact OD2-NE 3.55Å; D128-R139 PolarHBondContact OD2-NE 2.77Å; D128-R139 VanDerWaalsContact OD2-NE 3.16Å; D128-R139 IonicContact OD2-NH2 2.87Å; D128-R139 PolarHBondContact OD2-NH2 2.85Å
129M93.6Very high90.5Very high65 Ų6565.4 Ų65.432%0.3235%0.346SS..EExtended strand (participates in β ladder)trans-111.2114.5171.4-64.1-177.9-76.300108.3K113 I114 F131 S137 I138K113-M129 CarbonylContact C-O 3.5Å; K113-M129 WeakPolarHBondContact CA-O 3.21Å; I114-M129 HydrophobicContact CB-CE 4.16Å; I114-M129 HydrophobicContact CD1-CE 4.37Å; I114-M129 HydrophobicContact CG2-CE 4.1Å; I114-M129 PolarHBondContact N-O 2.78Å; I114-M129 PolarHBondContact O-N 2.93Å; M129-F131 HydrophobicContact CB-CE2 3.88Å; M129-F131 HydrophobicContact CB-CZ 4.13Å; M129-S137 CarbonylContact C-O 3.52Å; M129-S137 WeakPolarHBondContact CA-O 3.34Å; M129-I138 HydrophobicContact CG-CG1 4.31Å; M129-I138 HydrophobicContact CG-CG2 4.47Å
130D91.9Very high90.6Very high35 Ų3561.9 Ų61.919%0.18733%0.334CS..EExtended strand (participates in β ladder)trans-99.5119.5175.9-163.4-25.6000108.9N111 K113 P136 S137N111-D130 PolarHBondContact ND2-OD1 2.67Å; N111-D130 PolarHBondContact OD1-OD1 3.02Å; K113-D130 HydrophobicContact CD-CB 4.4Å; K113-D130 VanDerWaalsContact CE-CG 3.5Å; K113-D130 WeakPolarHBondContact CE-OD2 3.47Å; K113-D130 HydrophobicContact CG-CB 4.34Å; K113-D130 IonicContact NZ-OD1 3.95Å; K113-D130 IonicContact NZ-OD2 2.67Å; K113-D130 PolarHBondContact NZ-OD2 2.73Å; D130-P136 CarbonylContact O-C 3.46Å; D130-P136 VanDerWaalsContact O-CA 3.25Å; D130-P136 WeakPolarHBondContact O-CA 3.24Å; D130-S137 WeakPolarHBondContact CB-OG 3.34Å; D130-S137 PolarHBondContact N-O 2.76Å; D130-S137 PolarHBondContact O-N 2.93Å
131F88.2Confident91Very high87 Ų8757.4 Ų57.438%0.38232%0.321SS..EExtended strand (participates in β ladder)trans-99.296.4177-60-88.6000108.6A112 I114 M129 P136A112-F131 HydrophobicContact CB-CB 4.47Å; A112-F131 PolarHBondContact N-O 2.69Å; A112-F131 WeakPolarHBondContact O-CA 3.49Å; A112-F131 WeakPolarHBondContact O-CB 3.33Å; A112-F131 WeakPolarHBondContact O-CD2 3.13Å; A112-F131 PolarHBondContact O-N 3.34Å; I114-F131 HydrophobicContact CD1-CE2 3.8Å; I114-F131 HydrophobicContact CD1-CZ 4.33Å; I114-F131 HydrophobicContact CG1-CE2 4Å; M129-F131 HydrophobicContact CB-CE2 3.88Å; M129-F131 HydrophobicContact CB-CZ 4.13Å; F131-P136 HydrophobicContact CD1-CB 4.36Å; F131-P136 HydrophobicContact CD1-CG 4.2Å
132D78.6Confident91.3Very high64 Ų6454.8 Ų54.834%0.34231%0.31SS..  trans-104.8155.9168.7-159.5-8.6000110.2A134 G135D132-A134 PolarHBondContact O-N 2.89Å; D132-G135 PolarHBondContact O-N 2.91Å
133I73.6Confident91.6Very high145 Ų14552.3 Ų52.374%0.74430%0.299SS*.THydrogen-bonded Turntrans-58.3-32.5175.4-60.9172.5000110.5G135I133-G135 PolarHBondContact O-N 3.36Å
134A74.4Confident91.7Very high83 Ų8353 Ų5369%0.68630%0.303SS*.THydrogen-bonded Turntrans-71.6-8.9178.600000114.2D132D132-A134 PolarHBondContact O-N 2.89Å
135G82.6Confident91.6Very high23 Ų2352.6 Ų52.624%0.23730%0.303CS..  trans127.3141.1-179.400000112.3D132 I133D132-G135 PolarHBondContact O-N 2.91Å; I133-G135 PolarHBondContact O-N 3.36Å
136P90.9Very high91.5Very high52 Ų5255.7 Ų55.734%0.33831%0.311SS..  trans-60143.5177.4-24.132.4000113.3D130 F131 T159D130-P136 CarbonylContact O-C 3.46Å; D130-P136 VanDerWaalsContact O-CA 3.25Å; D130-P136 WeakPolarHBondContact O-CA 3.24Å; F131-P136 HydrophobicContact CD1-CB 4.36Å; F131-P136 HydrophobicContact CD1-CG 4.2Å; P136-T159 HydrophobicContact CB-CG2 4.32Å; P136-T159 VanDerWaalsContact CD-OG1 3.32Å; P136-T159 WeakPolarHBondContact CD-OG1 3.19Å; P136-T159 WeakPolarHBondContact O-CB 3.3Å; P136-T159 WeakPolarHBondContact O-CG2 3.47Å; P136-T159 PolarHBondContact O-N 2.92Å; P136-T159 PolarHBondContact O-OG1 2.92Å
137S93.3Very high91.3Very high25 Ų2560.8 Ų60.818%0.17533%0.329CS..EExtended strand (participates in β ladder)trans-121.1141.8167.769.40000111M129 D130 F157M129-S137 CarbonylContact C-O 3.52Å; M129-S137 WeakPolarHBondContact CA-O 3.34Å; D130-S137 WeakPolarHBondContact CB-OG 3.34Å; D130-S137 PolarHBondContact N-O 2.76Å; D130-S137 PolarHBondContact O-N 2.93Å; S137-F157 CarbonylContact C-O 3.59Å; S137-F157 VanDerWaalsContact CA-O 3.26Å; S137-F157 WeakPolarHBondContact CA-O 3.4Å
138I94.8Very high91Very high67 Ų6759.8 Ų59.834%0.34433%0.326SS..EExtended strand (participates in β ladder)trans-117117.8-179.5-54.3176.6000107.7D128 M129 F157D128-I138 CarbonylContact O-C 3.6Å; D128-I138 WeakPolarHBondContact O-CA 3.38Å; M129-I138 HydrophobicContact CG-CG1 4.31Å; M129-I138 HydrophobicContact CG-CG2 4.47Å; I138-F157 PolarHBondContact N-O 2.85Å; I138-F157 PolarHBondContact O-N 3.4Å
139R95.9Very high91.1Very high98 Ų9865.7 Ų65.737%0.3735%0.346SS..EExtended strand (participates in β ladder)trans-108.1112.5178.2-170.4175.772.3168.60.2110.3C127 D128 Q154 M155C127-R139 CarbonylContact C-O 3.43Å; C127-R139 WeakPolarHBondContact CA-O 3.2Å; D128-R139 HydrophobicContact CB-CB 4.31Å; D128-R139 PolarHBondContact N-O 2.85Å; D128-R139 PolarHBondContact O-N 2.86Å; D128-R139 IonicContact OD2-CZ 3.97Å; D128-R139 IonicContact OD2-NE 3.55Å; D128-R139 PolarHBondContact OD2-NE 2.77Å; D128-R139 VanDerWaalsContact OD2-NE 3.16Å; D128-R139 IonicContact OD2-NH2 2.87Å; D128-R139 PolarHBondContact OD2-NH2 2.85Å; R139-Q154 HydrophobicContact CG-CG 4.27Å; R139-M155 CarbonylContact C-O 3.55Å; R139-M155 VanDerWaalsContact CA-O 3.26Å; R139-M155 WeakPolarHBondContact CA-O 3.37Å; R139-M155 WeakPolarHBondContact CG-O 3.34Å
140G97Very high91.2Very high12 Ų1263.4 Ų63.412%0.12434%0.335CS..EExtended strand (participates in β ladder)trans-97.1141.7172.400000111.2G126 Q154 M155G126-G140 CarbonylContact O-C 3.52Å; G126-G140 WeakPolarHBondContact O-CA 3.48Å; G140-Q154 CarbonylContact O-C 3.54Å; G140-Q154 VanDerWaalsContact O-CA 3.31Å; G140-Q154 WeakPolarHBondContact O-CA 3.26Å; G140-M155 PolarHBondContact N-O 3.24Å; G140-M155 PolarHBondContact O-N 3.23Å
141A97.7Very high91.4Very high19 Ų1963.8 Ų63.816%0.15734%0.343CS..EExtended strand (participates in β ladder)trans-139.9139.7172.900000110.5L125 G126 Y153 Q154L125-A141 CarbonylContact C-O 3.5Å; L125-A141 WeakPolarHBondContact CA-O 3.36Å; G126-A141 PolarHBondContact N-O 2.72Å; G126-A141 PolarHBondContact O-N 3.48Å; A141-Y153 CarbonylContact C-O 3.54Å; A141-Y153 WeakPolarHBondContact CA-O 3.37Å; A141-Q154 HydrophobicContact CB-CB 4.45Å; A141-Q154 HydrophobicContact CB-CG 4.46Å
142L97.5Very high91.9Very high61 Ų6159.8 Ų59.832%0.31933%0.326SS..EExtended strand (participates in β ladder)trans-135.4133.2174.9167.462000108.4I123 N124 L125 L144 G152 Y153I123-L142 HydrophobicContact CG2-CD1 3.89Å; N124-L142 CarbonylContact O-C 3.57Å; N124-L142 WeakPolarHBondContact O-CA 3.23Å; L125-L142 HydrophobicContact CD2-CB 3.97Å; L125-L142 HydrophobicContact CD2-CD1 3.44Å; L125-L142 VanDerWaalsContact CD2-CD1 3.44Å; L125-L142 HydrophobicContact CD2-CG 4.18Å; L125-L142 HydrophobicContact CG-CD1 4.02Å; L142-L144 HydrophobicContact CD1-CD2 3.88Å; L142-L144 HydrophobicContact CD1-CG 4.24Å; L142-L144 HydrophobicContact CD2-CG 4.49Å; L142-L144 HydrophobicContact CG-CD2 4.49Å; L142-L144 HydrophobicContact CG-CG 4.35Å; L142-G152 CarbonylContact O-C 3.58Å; L142-G152 VanDerWaalsContact O-CA 3.26Å; L142-G152 WeakPolarHBondContact O-CA 3.45Å; L142-Y153 PolarHBondContact N-O 3.41Å; L142-Y153 PolarHBondContact O-N 2.78Å
143V97.6Very high92.8Very high1 Ų161.1 Ų61.11%0.00633%0.327CS..EExtended strand (participates in β ladder)trans-127.8123.4169.5-174.10000109P4 Y7 L10 N124 A151P4-V143 HydrophobicContact CB-CB 4.48Å; P4-V143 HydrophobicContact CB-CG1 3.91Å; Y7-V143 HydrophobicContact CD2-CG2 4.4Å; L10-V143 HydrophobicContact CD1-CG2 4.2Å; L10-V143 HydrophobicContact CD2-CG1 4.15Å; N124-V143 HydrophobicContact CB-CB 4.39Å; N124-V143 PolarHBondContact N-O 3.44Å; N124-V143 PolarHBondContact O-N 2.98Å; V143-A151 CarbonylContact C-O 3.56Å; V143-A151 VanDerWaalsContact CA-O 3.31Å; V143-A151 WeakPolarHBondContact CA-O 3.27Å
144L96.6Very high93.9Very high83 Ų8355.2 Ų55.244%0.43530%0.296SS..EExtended strand (participates in β ladder)trans-100.6141.4171.1-60.2176.2000109H122 I123 L142 L150 A151H122-L144 CarbonylContact O-C 3.55Å; H122-L144 VanDerWaalsContact O-CA 3.29Å; H122-L144 WeakPolarHBondContact O-CA 3.31Å; I123-L144 HydrophobicContact CB-CD2 4.43Å; I123-L144 HydrophobicContact CD1-CD2 4.37Å; I123-L144 HydrophobicContact CG1-CD2 3.8Å; I123-L144 HydrophobicContact CG2-CD2 4.32Å; L142-L144 HydrophobicContact CD1-CD2 3.88Å; L142-L144 HydrophobicContact CD1-CG 4.24Å; L142-L144 HydrophobicContact CD2-CG 4.49Å; L142-L144 HydrophobicContact CG-CD2 4.49Å; L142-L144 HydrophobicContact CG-CG 4.35Å; L144-L150 WeakPolarHBondContact O-CA 3.39Å; L144-A151 PolarHBondContact N-O 3.01Å; L144-A151 PolarHBondContact O-N 3.41Å
145G95.4Very high95Very high10 Ų1055.5 Ų55.510%0.10329%0.285CS..EExtended strand (participates in β ladder)trans-136.6131.6177.600000112.4H122 W149H122-G145 VanDerWaalsContact CA-O 3.31Å; H122-G145 WeakPolarHBondContact CA-O 3.29Å; H122-G145 VanDerWaalsContact CB-O 3.29Å; H122-G145 WeakPolarHBondContact CB-O 3.49Å; H122-G145 PolarHBondContact ND1-O 2.82Å; H122-G145 PolarHBondContact O-N 2.65Å; G145-W149 CarbonylContact C-O 3.55Å; G145-W149 VanDerWaalsContact CA-O 3.23Å; G145-W149 WeakPolarHBondContact CA-O 3.3Å
146Y93.7Very high95.6Very high140 Ų14055.1 Ų55.155%0.54928%0.277SS..EExtended strand (participates in β ladder)trans-150.5125.3177.8-172-99.4000110.2H122 G148 W149H122-Y146 AromaticContact CE1-CD2 3.79Å; H122-Y146 AromaticContact ND1-CD2 3.87Å; Y146-G148 PolarHBondContact O-N 2.89Å; Y146-G148 VanDerWaalsContact O-N 3.1Å; Y146-W149 PolarHBondContact N-O 3.26Å; Y146-W149 WeakPolarHBondContact O-CA 3.18Å; Y146-W149 WeakPolarHBondContact O-CB 3.42Å; Y146-W149 PolarHBondContact O-N 3.13Å
147E91.5Very high95.7Very high127 Ų12756.3 Ų56.359%0.59328%0.277SS*.THydrogen-bonded Turntrans4544179.1-63-167.7159.100115W149 Y173E147-W149 VanDerWaalsContact C-N 3.27Å; E147-W149 PolarHBondContact O-N 3.38Å; E147-Y173 WeakPolarHBondContact O-CE2 3.19Å
148G91.7Very high95.7Very high26 Ų2657.5 Ų57.527%0.26828%0.28SS..THydrogen-bonded Turntrans86.2-20.3-179.600000114.6Y146 Y173 K174Y146-G148 PolarHBondContact O-N 2.89Å; Y146-G148 VanDerWaalsContact O-N 3.1Å; G148-Y173 CarbonylContact O-C 3.54Å; G148-Y173 WeakPolarHBondContact O-CA 3.48Å; G148-K174 VanDerWaalsContact CA-O 3.31Å; G148-K174 WeakPolarHBondContact CA-O 3.41Å; G148-K174 PolarHBondContact O-N 2.77Å
149W95.7Very high95.4Very high157 Ų15756.7 Ų56.760%0.59528%0.278SS*.EExtended strand (participates in β ladder)trans-70.4139.7170.2-66.893.2000110.9G145 Y146 E147 Y173G145-W149 CarbonylContact C-O 3.55Å; G145-W149 VanDerWaalsContact CA-O 3.23Å; G145-W149 WeakPolarHBondContact CA-O 3.3Å; Y146-W149 PolarHBondContact N-O 3.26Å; Y146-W149 WeakPolarHBondContact O-CA 3.18Å; Y146-W149 WeakPolarHBondContact O-CB 3.42Å; Y146-W149 PolarHBondContact O-N 3.13Å; E147-W149 VanDerWaalsContact C-N 3.27Å; E147-W149 PolarHBondContact O-N 3.38Å; W149-Y173 HydrophobicContact CB-CD2 4.45Å; W149-Y173 AromaticContact CD1-CD2 3.84Å; W149-Y173 AromaticContact CD1-CE2 3.75Å; W149-Y173 AromaticContact CD2-CD2 3.59Å; W149-Y173 HydrophobicContact CD2-CD2 3.59Å; W149-Y173 HydrophobicContact CD2-CE2 4.23Å; W149-Y173 AromaticContact CE2-CD2 3.62Å; W149-Y173 AromaticContact CE2-CE2 3.93Å; W149-Y173 HydrophobicContact CE3-CD2 4.11Å; W149-Y173 AromaticContact CG-CD2 3.75Å; W149-Y173 HydrophobicContact CG-CD2 3.75Å; W149-Y173 HydrophobicContact CG-CE2 4.13Å; W149-Y173 HydrophobicContact CZ2-CD2 4.19Å; W149-Y173 AromaticContact NE1-CD2 3.76Å; W149-Y173 AromaticContact NE1-CE2 3.62Å
150L96.5Very high95Very high17 Ų1755.5 Ų55.59%0.08929%0.289CS..EExtended strand (participates in β ladder)trans-130.4129.6178.5-63173000108.5P4 P5 L10 L144 V171 G172 K174P4-L150 HydrophobicContact CB-CD2 4.01Å; P5-L150 HydrophobicContact CG-CD1 4.24Å; L10-L150 HydrophobicContact CD2-CB 4.16Å; L10-L150 HydrophobicContact CD2-CD1 3.99Å; L144-L150 WeakPolarHBondContact O-CA 3.39Å; L150-V171 CarbonylContact O-C 3.52Å; L150-V171 WeakPolarHBondContact O-CA 3.47Å; L150-G172 PolarHBondContact N-O 2.8Å; L150-G172 PolarHBondContact O-N 2.94Å; L150-K174 HydrophobicContact CD1-CB 4.14Å
151A96.9Very high94.6Very high42 Ų4260.2 Ų60.235%0.34731%0.306SS..EExtended strand (participates in β ladder)trans-126.4125.5172.300000108.6V143 L144 A170V143-A151 CarbonylContact C-O 3.56Å; V143-A151 VanDerWaalsContact CA-O 3.31Å; V143-A151 WeakPolarHBondContact CA-O 3.27Å; L144-A151 PolarHBondContact N-O 3.01Å; L144-A151 PolarHBondContact O-N 3.41Å; A151-A170 CarbonylContact C-O 3.54Å; A151-A170 WeakPolarHBondContact CA-O 3.07Å
152G97.6Very high94.2Very high3 Ų364 Ų643%0.03133%0.331CS..EExtended strand (participates in β ladder)trans-123.6140.2-176.600000111.6L142 A170L142-G152 CarbonylContact O-C 3.58Å; L142-G152 VanDerWaalsContact O-CA 3.26Å; L142-G152 WeakPolarHBondContact O-CA 3.45Å; G152-A170 PolarHBondContact N-O 2.8Å; G152-A170 PolarHBondContact O-N 2.82Å
153Y97.5Very high94Very high93 Ų9367.9 Ų67.937%0.36534%0.342SS..EExtended strand (participates in β ladder)trans-131.5137.5168.3-177.4-107.7000109.7A141 L142 M155 S167 N168A141-Y153 CarbonylContact C-O 3.54Å; A141-Y153 WeakPolarHBondContact CA-O 3.37Å; L142-Y153 PolarHBondContact N-O 3.41Å; L142-Y153 PolarHBondContact O-N 2.78Å; Y153-M155 HydrophobicContact CE1-CB 3.91Å; Y153-M155 HydrophobicContact CE1-CG 4.14Å; Y153-M155 HydrophobicContact CE1-SD 4.13Å; Y153-S167 WeakPolarHBondContact CE2-OG 3.34Å; Y153-S167 PolarHBondContact OH-OG 3.37Å; Y153-N168 CarbonylContact C-O 3.59Å; Y153-N168 WeakPolarHBondContact CA-O 3.33Å; Y153-N168 VanDerWaalsContact CD2-O 3.28Å; Y153-N168 WeakPolarHBondContact CD2-O 3.24Å
154Q97.4Very high93.7Very high20 Ų2071.8 Ų71.89%0.09337%0.365CS..EExtended strand (participates in β ladder)trans-133.6136.4175.4176.1-179.56400109.3Y7 R139 G140 A141 N168Y7-Q154 HydrophobicContact CD1-CB 3.64Å; Y7-Q154 HydrophobicContact CD1-CG 4.2Å; Y7-Q154 HydrophobicContact CD2-CB 3.91Å; Y7-Q154 HydrophobicContact CE1-CB 3.61Å; Y7-Q154 HydrophobicContact CE1-CG 4.34Å; Y7-Q154 HydrophobicContact CE2-CB 3.88Å; Y7-Q154 HydrophobicContact CG-CB 3.8Å; R139-Q154 HydrophobicContact CG-CG 4.27Å; G140-Q154 CarbonylContact O-C 3.54Å; G140-Q154 VanDerWaalsContact O-CA 3.31Å; G140-Q154 WeakPolarHBondContact O-CA 3.26Å; A141-Q154 HydrophobicContact CB-CB 4.45Å; A141-Q154 HydrophobicContact CB-CG 4.46Å; Q154-N168 HydrophobicContact CB-CB 4.34Å; Q154-N168 PolarHBondContact N-O 2.82Å; Q154-N168 PolarHBondContact O-N 3.36Å; Q154-N168 PolarHBondContact OE1-ND2 2.91Å
155M96.5Very high93.6Very high89 Ų8969.5 Ų69.544%0.43836%0.355SS..EExtended strand (participates in β ladder)trans-131.8147.7175.259.7-179.4166.600110.5R139 G140 Y153 Q166R139-M155 CarbonylContact C-O 3.55Å; R139-M155 VanDerWaalsContact CA-O 3.26Å; R139-M155 WeakPolarHBondContact CA-O 3.37Å; R139-M155 WeakPolarHBondContact CG-O 3.34Å; G140-M155 PolarHBondContact N-O 3.24Å; G140-M155 PolarHBondContact O-N 3.23Å; Y153-M155 HydrophobicContact CE1-CB 3.91Å; Y153-M155 HydrophobicContact CE1-CG 4.14Å; Y153-M155 HydrophobicContact CE1-SD 4.13Å; M155-Q166 CarbonylContact C-O 3.5Å; M155-Q166 VanDerWaalsContact CA-O 3.25Å; M155-Q166 WeakPolarHBondContact CA-O 3.32Å
156N95.7Very high93.5Very high16 Ų1672.7 Ų72.79%0.08637%0.367CS..EExtended strand (participates in β ladder)trans-123.9128.4170.1-168.658.7000109.5V164 T165 Q166N156-V164 CarbonylContact O-C 3.52Å; N156-V164 WeakPolarHBondContact O-CA 3.35Å; N156-T165 PolarHBondContact ND2-OG1 3.31Å; N156-T165 PolarHBondContact O-N 2.99Å; N156-Q166 HydrophobicContact CB-CB 3.71Å; N156-Q166 HydrophobicContact CB-CG 4.05Å; N156-Q166 PolarHBondContact N-O 3Å; N156-Q166 PolarHBondContact O-N 2.9Å
157F93.8Very high93.6Very high77 Ų7768.2 Ų68.234%0.33836%0.356SS..EExtended strand (participates in β ladder)trans-116.9123.2178.3-176.7-93.5000109.9S137 I138 T159 V164S137-F157 CarbonylContact C-O 3.59Å; S137-F157 VanDerWaalsContact CA-O 3.26Å; S137-F157 WeakPolarHBondContact CA-O 3.4Å; I138-F157 PolarHBondContact N-O 2.85Å; I138-F157 PolarHBondContact O-N 3.4Å; F157-T159 HydrophobicContact CD1-CG2 4.23Å; F157-T159 HydrophobicContact CE1-CG2 4.19Å; F157-V164 HydrophobicContact CD2-CG2 4.06Å
158E92.2Very high93.9Very high50 Ų5062.8 Ų62.823%0.23433%0.331CS..EExtended strand (participates in β ladder)trans-97.5115.5175.6-76.7173-143.100109.7A160 K161 S162 R163 T165E158-A160 PolarHBondContact O-N 2.8Å; E158-K161 HydrophobicContact CB-CB 4.37Å; E158-K161 PolarHBondContact O-N 2.91Å; E158-K161 VanDerWaalsContact OE2-CD 3.23Å; E158-K161 WeakPolarHBondContact OE2-CD 3.34Å; E158-K161 VanDerWaalsContact OE2-CE 3.22Å; E158-K161 WeakPolarHBondContact OE2-CE 3.09Å; E158-K161 IonicContact OE2-NZ 3.61Å; E158-K161 PolarHBondContact OE2-NZ 2.83Å; E158-S162 PolarHBondContact O-N 2.8Å; E158-R163 PolarHBondContact N-O 2.87Å; E158-R163 PolarHBondContact O-N 3.37Å; E158-T165 HydrophobicContact CB-CG2 3.96Å; E158-T165 HydrophobicContact CG-CG2 3.81Å; E158-T165 VanDerWaalsContact OE1-CB 3.31Å; E158-T165 WeakPolarHBondContact OE1-CB 3.36Å; E158-T165 WeakPolarHBondContact OE1-CG2 3.46Å; E158-T165 PolarHBondContact OE1-OG1 2.73Å
159T88.7Confident94.1Very high50 Ų5066.3 Ų66.331%0.30734%0.34SS..G310 helixtrans-65.2-37.8-175.658.80000112.4P136 F157 K161 S162P136-T159 HydrophobicContact CB-CG2 4.32Å; P136-T159 VanDerWaalsContact CD-OG1 3.32Å; P136-T159 WeakPolarHBondContact CD-OG1 3.19Å; P136-T159 WeakPolarHBondContact O-CB 3.3Å; P136-T159 WeakPolarHBondContact O-CG2 3.47Å; P136-T159 PolarHBondContact O-N 2.92Å; P136-T159 PolarHBondContact O-OG1 2.92Å; F157-T159 HydrophobicContact CD1-CG2 4.23Å; F157-T159 HydrophobicContact CE1-CG2 4.19Å; T159-K161 VanDerWaalsContact C-N 3.26Å; T159-K161 PolarHBondContact O-N 2.87Å; T159-S162 PolarHBondContact O-N 2.85Å; T159-S162 PolarHBondContact O-OG 2.88Å
160A88.9Confident94.2Very high72 Ų7258.9 Ų58.960%0.59531%0.311SS*.G310 helixtrans-65.2-28.2178.700000113.5E158E158-A160 PolarHBondContact O-N 2.8Å
161K88Confident94.2Very high111 Ų11160.1 Ų60.148%0.48332%0.32SS..G310 helixtrans-99-3.4177.4-62.1-176.1-171.7142.80112.7E158 T159 R163E158-K161 HydrophobicContact CB-CB 4.37Å; E158-K161 PolarHBondContact O-N 2.91Å; E158-K161 VanDerWaalsContact OE2-CD 3.23Å; E158-K161 WeakPolarHBondContact OE2-CD 3.34Å; E158-K161 VanDerWaalsContact OE2-CE 3.22Å; E158-K161 WeakPolarHBondContact OE2-CE 3.09Å; E158-K161 IonicContact OE2-NZ 3.61Å; E158-K161 PolarHBondContact OE2-NZ 2.83Å; T159-K161 VanDerWaalsContact C-N 3.26Å; T159-K161 PolarHBondContact O-N 2.87Å; K161-R163 HydrophobicContact CB-CG 3.78Å; K161-R163 PolarHBondContact O-N 2.8Å; K161-R163 VanDerWaalsContact O-N 3.09Å
162S89.5Confident94.2Very high98 Ų9858.4 Ų58.469%0.68531%0.306SS*.THydrogen-bonded Turntrans44.939.1-173.9-620000113.5E158 T159E158-S162 PolarHBondContact O-N 2.8Å; T159-S162 PolarHBondContact O-N 2.85Å; T159-S162 PolarHBondContact O-OG 2.88Å
163R92.8Very high94.1Very high144 Ų14461.7 Ų61.754%0.54332%0.318SS..EExtended strand (participates in β ladder)trans-144.4152.5-17577.5-173.3-170.7177.54.8112.6E158 K161 T165E158-R163 PolarHBondContact N-O 2.87Å; E158-R163 PolarHBondContact O-N 3.37Å; K161-R163 HydrophobicContact CB-CG 3.78Å; K161-R163 PolarHBondContact O-N 2.8Å; K161-R163 VanDerWaalsContact O-N 3.09Å; R163-T165 HydrophobicContact CG-CG2 3.88Å; R163-T165 PolarHBondContact O-N 3.3Å
164V92.2Very high93.9Very high82 Ų8262.1 Ų62.150%0.49732%0.322SS..EExtended strand (participates in β ladder)trans-69.8122166.8179.70000108N156 F157 Q166N156-V164 CarbonylContact O-C 3.52Å; N156-V164 WeakPolarHBondContact O-CA 3.35Å; F157-V164 HydrophobicContact CD2-CG2 4.06Å; V164-Q166 WeakPolarHBondContact CG1-O 3.49Å
165T92.8Very high93.6Very high36 Ų3663.8 Ų63.822%0.22133%0.333CS..EExtended strand (participates in β ladder)trans-104.6-15.7178.660.50000113.9N156 E158 R163N156-T165 PolarHBondContact ND2-OG1 3.31Å; N156-T165 PolarHBondContact O-N 2.99Å; E158-T165 HydrophobicContact CB-CG2 3.96Å; E158-T165 HydrophobicContact CG-CG2 3.81Å; E158-T165 VanDerWaalsContact OE1-CB 3.31Å; E158-T165 WeakPolarHBondContact OE1-CB 3.36Å; E158-T165 WeakPolarHBondContact OE1-CG2 3.46Å; E158-T165 PolarHBondContact OE1-OG1 2.73Å; R163-T165 HydrophobicContact CG-CG2 3.88Å; R163-T165 PolarHBondContact O-N 3.3Å
166Q93.8Very high93.2Very high76 Ų7667.1 Ų67.136%0.35535%0.353SS..EExtended strand (participates in β ladder)trans-139.1139.7169.5-59.9178.5-25.800110.8M155 N156 V164 D186M155-Q166 CarbonylContact C-O 3.5Å; M155-Q166 VanDerWaalsContact CA-O 3.25Å; M155-Q166 WeakPolarHBondContact CA-O 3.32Å; N156-Q166 HydrophobicContact CB-CB 3.71Å; N156-Q166 HydrophobicContact CB-CG 4.05Å; N156-Q166 PolarHBondContact N-O 3Å; N156-Q166 PolarHBondContact O-N 2.9Å; V164-Q166 WeakPolarHBondContact CG1-O 3.49Å; Q166-D186 WeakPolarHBondContact CA-OD1 3.49Å
167S95.9Very high93.1Very high46 Ų4672.6 Ų72.632%0.32238%0.378SS..EExtended strand (participates in β ladder)trans-143105.9172.2-176.40000109Y153 D186Y153-S167 WeakPolarHBondContact CE2-OG 3.34Å; Y153-S167 PolarHBondContact OH-OG 3.37Å; S167-D186 PolarHBondContact N-OD1 2.83Å; S167-D186 WeakPolarHBondContact O-CA 3.36Å; S167-D186 PolarHBondContact O-N 2.82Å
168N97.4Very high93.1Very high13 Ų1372.3 Ų72.37%0.0738%0.377CS..EExtended strand (participates in β ladder)trans-119.5135.3-173.7-53-35.7000110Y7 Y153 Q154 V184 N185 D186Y7-N168 HydrophobicContact CE1-CB 4.26Å; Y7-N168 WeakPolarHBondContact OH-CB 3.25Å; Y153-N168 CarbonylContact C-O 3.59Å; Y153-N168 WeakPolarHBondContact CA-O 3.33Å; Y153-N168 VanDerWaalsContact CD2-O 3.28Å; Y153-N168 WeakPolarHBondContact CD2-O 3.24Å; Q154-N168 HydrophobicContact CB-CB 4.34Å; Q154-N168 PolarHBondContact N-O 2.82Å; Q154-N168 PolarHBondContact O-N 3.36Å; Q154-N168 PolarHBondContact OE1-ND2 2.91Å; N168-V184 CarbonylContact C-O 3.57Å; N168-V184 WeakPolarHBondContact CA-O 3.34Å; N168-N185 VanDerWaalsContact OD1-CA 3.24Å; N168-N185 WeakPolarHBondContact OD1-CA 3.32Å; N168-N185 WeakPolarHBondContact OD1-CB 3.44Å; N168-D186 PolarHBondContact OD1-N 2.87Å
169F97Very high93.2Very high101 Ų10170.3 Ų70.344%0.44337%0.367SS..EExtended strand (participates in β ladder)trans-120.7142.1177-179.7-106000109.7V171 N183 V184F169-V171 HydrophobicContact CD1-CG2 4.31Å; F169-V171 HydrophobicContact CE1-CG2 3.3Å; F169-V171 HydrophobicContact CE2-CG2 4.31Å; F169-V171 HydrophobicContact CZ-CG2 3.3Å; F169-N183 CarbonylContact O-C 3.56Å; F169-N183 WeakPolarHBondContact O-CA 3.41Å; F169-N183 WeakPolarHBondContact O-CB 3.39Å; F169-V184 PolarHBondContact N-O 3.49Å; F169-V184 PolarHBondContact O-N 2.96Å
170A97.5Very high93.6Very high0 Ų071 Ų710%037%0.369CS..EExtended strand (participates in β ladder)trans-142139.4177.300000111Y7 L10 A151 G152 T182 N183Y7-A170 HydrophobicContact CE2-CB 3.99Å; L10-A170 HydrophobicContact CD1-CB 3.74Å; A151-A170 CarbonylContact C-O 3.54Å; A151-A170 WeakPolarHBondContact CA-O 3.07Å; G152-A170 PolarHBondContact N-O 2.8Å; G152-A170 PolarHBondContact O-N 2.82Å; A170-T182 CarbonylContact C-O 3.54Å; A170-T182 WeakPolarHBondContact CA-O 3.29Å; A170-N183 HydrophobicContact CB-CB 4Å
171V97.1Very high94Very high44 Ų4468.2 Ų68.227%0.26734%0.344SS..EExtended strand (participates in β ladder)trans-129.8135.4171.1178.80000108.1L150 F169 T182L150-V171 CarbonylContact O-C 3.52Å; L150-V171 WeakPolarHBondContact O-CA 3.47Å; F169-V171 HydrophobicContact CD1-CG2 4.31Å; F169-V171 HydrophobicContact CE1-CG2 3.3Å; F169-V171 HydrophobicContact CE2-CG2 4.31Å; F169-V171 HydrophobicContact CZ-CG2 3.3Å; V171-T182 PolarHBondContact N-O 3.15Å; V171-T182 PolarHBondContact O-N 2.84Å; V171-T182 VanDerWaalsContact O-O 3.08Å; V171-T182 PolarHBondContact O-OG1 3.04Å
172G96Very high94.4Very high5 Ų565.8 Ų65.85%0.05234%0.338CS..EExtended strand (participates in β ladder)trans-144.5168.1176.900000112.2L150 L180L150-G172 PolarHBondContact N-O 2.8Å; L150-G172 PolarHBondContact O-N 2.94Å; G172-L180 CarbonylContact C-O 3.59Å; G172-L180 WeakPolarHBondContact CA-O 3.26Å
173Y95.1Very high94.7Very high73 Ų7362.7 Ų62.729%0.28631%0.314SS..EExtended strand (participates in β ladder)trans-132.9131.4171.5-173.5-104.6000108E147 G148 W149 T175 Q179 L180E147-Y173 WeakPolarHBondContact O-CE2 3.19Å; G148-Y173 CarbonylContact O-C 3.54Å; G148-Y173 WeakPolarHBondContact O-CA 3.48Å; W149-Y173 HydrophobicContact CB-CD2 4.45Å; W149-Y173 AromaticContact CD1-CD2 3.84Å; W149-Y173 AromaticContact CD1-CE2 3.75Å; W149-Y173 AromaticContact CD2-CD2 3.59Å; W149-Y173 HydrophobicContact CD2-CD2 3.59Å; W149-Y173 HydrophobicContact CD2-CE2 4.23Å; W149-Y173 AromaticContact CE2-CD2 3.62Å; W149-Y173 AromaticContact CE2-CE2 3.93Å; W149-Y173 HydrophobicContact CE3-CD2 4.11Å; W149-Y173 AromaticContact CG-CD2 3.75Å; W149-Y173 HydrophobicContact CG-CD2 3.75Å; W149-Y173 HydrophobicContact CG-CE2 4.13Å; W149-Y173 HydrophobicContact CZ2-CD2 4.19Å; W149-Y173 AromaticContact NE1-CD2 3.76Å; W149-Y173 AromaticContact NE1-CE2 3.62Å; Y173-T175 HydrophobicContact CD1-CG2 4.16Å; Y173-T175 HydrophobicContact CE1-CG2 3.43Å; Y173-T175 VanDerWaalsContact CE1-CG2 3.43Å; Y173-Q179 CarbonylContact O-C 3.49Å; Y173-Q179 VanDerWaalsContact O-CA 3.31Å; Y173-Q179 WeakPolarHBondContact O-CA 3.41Å; Y173-L180 PolarHBondContact N-O 2.82Å; Y173-L180 PolarHBondContact O-N 2.79Å
174K93.6Very high94.9Very high101 Ų10157.9 Ų57.944%0.43930%0.3SS..EExtended strand (participates in β ladder)trans-132127.6-175.5-176.4-179.6176.1-175.10110.5G148 L150 Q179G148-K174 VanDerWaalsContact CA-O 3.31Å; G148-K174 WeakPolarHBondContact CA-O 3.41Å; G148-K174 PolarHBondContact O-N 2.77Å; L150-K174 HydrophobicContact CD1-CB 4.14Å; K174-Q179 HydrophobicContact CB-CG 4.42Å; K174-Q179 HydrophobicContact CG-CB 4.45Å; K174-Q179 HydrophobicContact CG-CG 4.48Å
175T92Very high95Very high55 Ų5555.8 Ų55.834%0.33729%0.286SS..  trans-118.2-175.6165.672.70000109.2Y173 E177 F178Y173-T175 HydrophobicContact CD1-CG2 4.16Å; Y173-T175 HydrophobicContact CE1-CG2 3.43Å; Y173-T175 VanDerWaalsContact CE1-CG2 3.43Å; T175-E177 VanDerWaalsContact C-N 3.26Å; T175-E177 PolarHBondContact O-N 3.34Å; T175-E177 PolarHBondContact OG1-N 2.84Å; T175-F178 PolarHBondContact N-O 2.79Å; T175-F178 WeakPolarHBondContact OG1-CB 3.28Å; T175-F178 PolarHBondContact OG1-N 2.84Å; T175-F178 PolarHBondContact OG1-O 2.91Å
176D88.2Confident95Very high159 Ų15957.7 Ų57.785%0.8530%0.295SS*.SBendtrans-70-24.3176.8-68.6-25.1000113.2
177E92.1Very high94.8Very high132 Ų13256.4 Ų56.462%0.61730%0.303SS*.SBendtrans-113.6-15-174.5-62.8-178.5167.500113.3T175 Q196 K197T175-E177 VanDerWaalsContact C-N 3.26Å; T175-E177 PolarHBondContact O-N 3.34Å; T175-E177 PolarHBondContact OG1-N 2.84Å; E177-Q196 CarbonylContact O-C 3.55Å; E177-Q196 WeakPolarHBondContact O-CA 3.46Å; E177-K197 PolarHBondContact O-N 2.82Å
178F93.7Very high94.6Very high70 Ų7057.5 Ų57.531%0.30731%0.308SS..EExtended strand (participates in β ladder)trans-142142.5-171.5177.5-97.3000111.4T175 L180 I194 Y195 Q196T175-F178 PolarHBondContact N-O 2.79Å; T175-F178 WeakPolarHBondContact OG1-CB 3.28Å; T175-F178 PolarHBondContact OG1-N 2.84Å; T175-F178 PolarHBondContact OG1-O 2.91Å; F178-L180 HydrophobicContact CE1-CB 3.69Å; F178-L180 HydrophobicContact CZ-CB 3.95Å; F178-I194 HydrophobicContact CD2-CG2 4.3Å; F178-I194 HydrophobicContact CE2-CG2 3.46Å; F178-I194 VanDerWaalsContact CE2-CG2 3.46Å; F178-I194 HydrophobicContact CZ-CG2 4.05Å; F178-Y195 CarbonylContact C-O 3.57Å; F178-Y195 WeakPolarHBondContact CA-O 3.31Å; F178-Y195 WeakPolarHBondContact CD2-O 3.34Å; F178-Q196 HydrophobicContact CD2-CB 4.42Å
179Q95.6Very high94.5Very high8 Ų860.3 Ų60.34%0.03732%0.32CS..EExtended strand (participates in β ladder)trans-139.2118.6170.2179.4-179.230.600110S13 Y173 K174 I194 Y195S13-Q179 PolarHBondContact OG-OE1 2.78Å; Y173-Q179 CarbonylContact O-C 3.49Å; Y173-Q179 VanDerWaalsContact O-CA 3.31Å; Y173-Q179 WeakPolarHBondContact O-CA 3.41Å; K174-Q179 HydrophobicContact CB-CG 4.42Å; K174-Q179 HydrophobicContact CG-CB 4.45Å; K174-Q179 HydrophobicContact CG-CG 4.48Å; Q179-I194 CarbonylContact O-C 3.55Å; Q179-I194 WeakPolarHBondContact O-CA 3.25Å; Q179-Y195 HydrophobicContact CB-CD1 4.24Å; Q179-Y195 PolarHBondContact N-O 2.68Å; Q179-Y195 PolarHBondContact O-N 2.68Å
180L96.4Very high94.4Very high64 Ų6458.4 Ų58.434%0.33531%0.312SS..EExtended strand (participates in β ladder)trans-96.4135.3164.3177.764.8000108.4G172 Y173 F178 T182 I194G172-L180 CarbonylContact C-O 3.59Å; G172-L180 WeakPolarHBondContact CA-O 3.26Å; Y173-L180 PolarHBondContact N-O 2.82Å; Y173-L180 PolarHBondContact O-N 2.79Å; F178-L180 HydrophobicContact CE1-CB 3.69Å; F178-L180 HydrophobicContact CZ-CB 3.95Å; L180-T182 HydrophobicContact CD1-CG2 4.45Å; L180-I194 HydrophobicContact CD1-CD1 4.42Å; L180-I194 HydrophobicContact CD1-CG1 3.77Å
181H96.8Very high94.3Very high15 Ų1558.9 Ų58.97%0.06932%0.317CS..EExtended strand (participates in β ladder)trans-142.4127.3175.5169.4-100.9000109.3L10 G192 S193L10-H181 WeakPolarHBondContact CB-NE2 3.31Å; H181-G192 CarbonylContact O-C 3.59Å; H181-G192 WeakPolarHBondContact O-CA 3.19Å; H181-S193 PolarHBondContact N-O 2.73Å; H181-S193 PolarHBondContact O-N 2.73Å
182T97.1Very high94.2Very high59 Ų5957.7 Ų57.736%0.36231%0.313SS..EExtended strand (participates in β ladder)trans-126.4143177.458.90000108.5A170 V171 L180 G191A170-T182 CarbonylContact C-O 3.54Å; A170-T182 WeakPolarHBondContact CA-O 3.29Å; V171-T182 PolarHBondContact N-O 3.15Å; V171-T182 PolarHBondContact O-N 2.84Å; V171-T182 VanDerWaalsContact O-O 3.08Å; V171-T182 PolarHBondContact O-OG1 3.04Å; L180-T182 HydrophobicContact CD1-CG2 4.45Å; T182-G191 CarbonylContact C-O 3.52Å; T182-G191 VanDerWaalsContact CA-O 3.3Å; T182-G191 WeakPolarHBondContact CA-O 3.29Å
183N96.4Very high94.3Very high33 Ų3357.9 Ų57.918%0.17631%0.313CS..EExtended strand (participates in β ladder)trans-145.415418069.3-72.9000111.6F169 A170 N185 G191F169-N183 CarbonylContact O-C 3.56Å; F169-N183 WeakPolarHBondContact O-CA 3.41Å; F169-N183 WeakPolarHBondContact O-CB 3.39Å; A170-N183 HydrophobicContact CB-CB 4Å; N183-N185 PolarHBondContact ND2-ND2 2.77Å; N183-N185 PolarHBondContact ND2-OD1 2.81Å; N183-G191 PolarHBondContact N-O 3.05Å; N183-G191 PolarHBondContact O-N 2.87Å; N183-G191 WeakPolarHBondContact OD1-CA 3.27Å; N183-G191 PolarHBondContact OD1-O 3.46Å
184V96Very high94.4Very high44 Ų4457.7 Ų57.727%0.26732%0.317SS..EExtended strand (participates in β ladder)trans-129.1117172.6-174.80000106.7N168 F169 E189 F190N168-V184 CarbonylContact C-O 3.57Å; N168-V184 WeakPolarHBondContact CA-O 3.34Å; F169-V184 PolarHBondContact N-O 3.49Å; F169-V184 PolarHBondContact O-N 2.96Å; V184-E189 CarbonylContact C-O 3.47Å; V184-E189 VanDerWaalsContact CA-O 3.3Å; V184-E189 WeakPolarHBondContact CA-O 3.31Å; V184-F190 HydrophobicContact CB-CD1 4.45Å; V184-F190 HydrophobicContact CB-CE1 4.48Å; V184-F190 HydrophobicContact CG1-CD1 4.09Å; V184-F190 HydrophobicContact CG1-CE1 3.78Å; V184-F190 HydrophobicContact CG1-CZ 4.17Å; V184-F190 HydrophobicContact CG2-CD1 3.72Å; V184-F190 HydrophobicContact CG2-CE1 3.88Å
185N94.8Very high94.6Very high38 Ų3854.1 Ų54.120%0.20330%0.301CS..EExtended strand (participates in β ladder)trans-104.5126176.8-51.3-24.7000109N168 N183 G187 T188 E189N168-N185 VanDerWaalsContact OD1-CA 3.24Å; N168-N185 WeakPolarHBondContact OD1-CA 3.32Å; N168-N185 WeakPolarHBondContact OD1-CB 3.44Å; N183-N185 PolarHBondContact ND2-ND2 2.77Å; N183-N185 PolarHBondContact ND2-OD1 2.81Å; N185-G187 PolarHBondContact O-N 2.82Å; N185-T188 PolarHBondContact O-N 2.76Å; N185-E189 HydrophobicContact CB-CB 4.17Å; N185-E189 PolarHBondContact N-O 3.03Å; N185-E189 PolarHBondContact O-N 2.84Å
186D93.1Very high94.8Very high75 Ų7556 Ų5640%0.40131%0.306SS..THydrogen-bonded Turntrans52.525.7176.2-57.6-39.3000114.4Q166 S167 N168 T188Q166-D186 WeakPolarHBondContact CA-OD1 3.49Å; S167-D186 PolarHBondContact N-OD1 2.83Å; S167-D186 WeakPolarHBondContact O-CA 3.36Å; S167-D186 PolarHBondContact O-N 2.82Å; N168-D186 PolarHBondContact OD1-N 2.87Å; D186-T188 PolarHBondContact O-N 2.85Å
187G89.1Confident95.2Very high50 Ų5052.2 Ų52.252%0.51528%0.282SS..THydrogen-bonded Turntrans64.13.5-175.600000115.3N185N185-G187 PolarHBondContact O-N 2.82Å
188T92.4Very high95.3Very high69 Ų6949.3 Ų49.342%0.42327%0.273SS..THydrogen-bonded Turntrans-120.7-31.9-171.7540000112.9N185 D186 T211 A212N185-T188 PolarHBondContact O-N 2.76Å; D186-T188 PolarHBondContact O-N 2.85Å; T188-T211 CarbonylContact O-C 3.47Å; T188-T211 WeakPolarHBondContact O-CA 3.4Å; T188-A212 PolarHBondContact O-N 3.4Å
189E94Very high95.3Very high71 Ų7149.6 Ų49.633%0.33228%0.278SS..EExtended strand (participates in β ladder)trans-103.3123.8173.8-56-164.9141.900110.9V184 N185 T211V184-E189 CarbonylContact C-O 3.47Å; V184-E189 VanDerWaalsContact CA-O 3.3Å; V184-E189 WeakPolarHBondContact CA-O 3.31Å; N185-E189 HydrophobicContact CB-CB 4.17Å; N185-E189 PolarHBondContact N-O 3.03Å; N185-E189 PolarHBondContact O-N 2.84Å; E189-T211 HydrophobicContact CG-CG2 4.31Å
190F94.9Very high95.1Very high62 Ų6258.7 Ų58.727%0.27232%0.317SS..EExtended strand (participates in β ladder)trans-109.8131.8176.9-62-96.2000108.5V184 A209 W210 A212V184-F190 HydrophobicContact CB-CD1 4.45Å; V184-F190 HydrophobicContact CB-CE1 4.48Å; V184-F190 HydrophobicContact CG1-CD1 4.09Å; V184-F190 HydrophobicContact CG1-CE1 3.78Å; V184-F190 HydrophobicContact CG1-CZ 4.17Å; V184-F190 HydrophobicContact CG2-CD1 3.72Å; V184-F190 HydrophobicContact CG2-CE1 3.88Å; F190-A209 CarbonylContact O-C 3.57Å; F190-A209 WeakPolarHBondContact O-CA 3.38Å; F190-W210 HydrophobicContact CB-CD2 3.7Å; F190-W210 HydrophobicContact CB-CE3 3.92Å; F190-W210 HydrophobicContact CB-CG 4.44Å; F190-W210 HydrophobicContact CB-CH2 3.55Å; F190-W210 HydrophobicContact CB-CZ2 3.29Å; F190-W210 HydrophobicContact CB-CZ3 3.85Å; F190-W210 HydrophobicContact CD1-CZ2 4.01Å; F190-W210 AromaticContact CD2-CE2 3.85Å; F190-W210 HydrophobicContact CD2-CZ2 4.08Å; F190-W210 AromaticContact CD2-NE1 3.52Å; F190-W210 HydrophobicContact CG-CD2 4.48Å; F190-W210 AromaticContact CG-CE2 3.69Å; F190-W210 HydrophobicContact CG-CH2 4.18Å; F190-W210 AromaticContact CG-CZ2 3.53Å; F190-W210 HydrophobicContact CG-CZ2 3.53Å; F190-W210 AromaticContact CG-NE1 3.88Å; F190-W210 PolarHBondContact N-O 3.34Å; F190-W210 PolarHBondContact O-N 2.88Å; F190-A212 HydrophobicContact CE2-CB 4.23Å
191G95.5Very high95Very high10 Ų1060.4 Ų60.410%0.10332%0.322CS..EExtended strand (participates in β ladder)trans-133.2147.4-177.500000111.8T182 N183 L208T182-G191 CarbonylContact C-O 3.52Å; T182-G191 VanDerWaalsContact CA-O 3.3Å; T182-G191 WeakPolarHBondContact CA-O 3.29Å; N183-G191 PolarHBondContact N-O 3.05Å; N183-G191 PolarHBondContact O-N 2.87Å; N183-G191 WeakPolarHBondContact OD1-CA 3.27Å; N183-G191 PolarHBondContact OD1-O 3.46Å; G191-L208 CarbonylContact C-O 3.49Å; G191-L208 WeakPolarHBondContact CA-O 3.35Å
192G96.3Very high95Very high18 Ų1861.8 Ų61.819%0.18633%0.329CS..EExtended strand (participates in β ladder)trans-147.6132.8176.800000109.6H181 N207 L208H181-G192 CarbonylContact O-C 3.59Å; H181-G192 WeakPolarHBondContact O-CA 3.19Å; G192-N207 PolarHBondContact O-OD1 2.79Å; G192-L208 PolarHBondContact N-O 2.82Å; G192-L208 PolarHBondContact O-N 3.05Å; G192-L208 VanDerWaalsContact O-O 3.05Å
193S97.2Very high95Very high9 Ų961.3 Ų61.36%0.06332%0.323CS..EExtended strand (participates in β ladder)trans-137.9140176.662.30000110.3H181 V206H181-S193 PolarHBondContact N-O 2.73Å; H181-S193 PolarHBondContact O-N 2.73Å; S193-V206 CarbonylContact C-O 3.59Å; S193-V206 WeakPolarHBondContact CA-O 3.15Å
194I97.4Very high95Very high69 Ų6961.5 Ų61.535%0.35433%0.325SS..EExtended strand (participates in β ladder)trans-120.5130.6176.3-61.6174000106.7F178 Q179 L180 A205 V206F178-I194 HydrophobicContact CD2-CG2 4.3Å; F178-I194 HydrophobicContact CE2-CG2 3.46Å; F178-I194 VanDerWaalsContact CE2-CG2 3.46Å; F178-I194 HydrophobicContact CZ-CG2 4.05Å; Q179-I194 CarbonylContact O-C 3.55Å; Q179-I194 WeakPolarHBondContact O-CA 3.25Å; L180-I194 HydrophobicContact CD1-CD1 4.42Å; L180-I194 HydrophobicContact CD1-CG1 3.77Å; I194-A205 CarbonylContact O-C 3.58Å; I194-A205 WeakPolarHBondContact O-CA 3.36Å; I194-V206 HydrophobicContact CB-CB 4.48Å; I194-V206 PolarHBondContact N-O 3.43Å; I194-V206 PolarHBondContact O-N 3.29Å
195Y97.7Very high95.1Very high26 Ų2659.4 Ų59.410%0.10231%0.313CS..EExtended strand (participates in β ladder)trans-118137.8168.3164.4-87.3000108.5V17 F178 Q179 K197 E203 T204V17-Y195 HydrophobicContact CG2-CD2 3.89Å; V17-Y195 HydrophobicContact CG2-CE2 3.86Å; F178-Y195 CarbonylContact C-O 3.57Å; F178-Y195 WeakPolarHBondContact CA-O 3.31Å; F178-Y195 WeakPolarHBondContact CD2-O 3.34Å; Q179-Y195 HydrophobicContact CB-CD1 4.24Å; Q179-Y195 PolarHBondContact N-O 2.68Å; Q179-Y195 PolarHBondContact O-N 2.68Å; Y195-K197 HydrophobicContact CE1-CB 4.22Å; Y195-E203 HydrophobicContact CE2-CB 4.05Å; Y195-E203 HydrophobicContact CE2-CG 4.21Å; Y195-E203 WeakPolarHBondContact OH-CG 3.21Å; Y195-T204 WeakPolarHBondContact CA-O 3.47Å
196Q97.2Very high95.3Very high96 Ų9660 Ų6045%0.44932%0.318SS..EExtended strand (participates in β ladder)trans-140.4125177.4-175.4178.16.700109.7E177 F178 V198 T204E177-Q196 CarbonylContact O-C 3.55Å; E177-Q196 WeakPolarHBondContact O-CA 3.46Å; F178-Q196 HydrophobicContact CD2-CB 4.42Å; Q196-V198 HydrophobicContact CG-CG2 4.24Å; Q196-V198 PolarHBondContact O-N 3.02Å; Q196-T204 PolarHBondContact N-O 2.98Å; Q196-T204 PolarHBondContact O-N 2.76Å; Q196-T204 PolarHBondContact O-OG1 2.69Å
197K95.9Very high95.4Very high78 Ų7859.5 Ų59.534%0.33932%0.315SS..EExtended strand (participates in β ladder)trans-88.291.4167.8-172.1177.5-175177.20107.9E177 Y195 N199 E203E177-K197 PolarHBondContact O-N 2.82Å; Y195-K197 HydrophobicContact CE1-CB 4.22Å; K197-N199 VanDerWaalsContact C-N 3.3Å; K197-N199 WeakPolarHBondContact CG-O 3.48Å; K197-N199 PolarHBondContact O-N 3.16Å; K197-E203 HydrophobicContact CG-CG 4.35Å
198V94.2Very high95.7Very high71 Ų7160.3 Ų60.343%0.4331%0.307SS..  trans-63.5-39.5-176.2-178.60000111Q196 L202 T204Q196-V198 HydrophobicContact CG-CG2 4.24Å; Q196-V198 PolarHBondContact O-N 3.02Å; V198-L202 HydrophobicContact CB-CB 4.33Å; V198-L202 HydrophobicContact CB-CD2 4.11Å; V198-L202 HydrophobicContact CB-CG 4.2Å; V198-L202 HydrophobicContact CG1-CD2 4.23Å; V198-L202 HydrophobicContact CG2-CD2 4.29Å; V198-L202 HydrophobicContact CG2-CG 4.36Å; V198-L202 PolarHBondContact N-O 2.8Å; V198-T204 HydrophobicContact CG2-CG2 4.04Å
199N93Very high95.9Very high77 Ų7757.6 Ų57.641%0.41229%0.292SS..SBendtrans-157.2-174.5171.660.655.5000110.2K197 K201 L202K197-N199 VanDerWaalsContact C-N 3.3Å; K197-N199 WeakPolarHBondContact CG-O 3.48Å; K197-N199 PolarHBondContact O-N 3.16Å; N199-K201 PolarHBondContact O-N 2.82Å; N199-K201 VanDerWaalsContact O-N 3.09Å; N199-K201 WeakPolarHBondContact OD1-CA 3.28Å; N199-K201 WeakPolarHBondContact OD1-CB 3.45Å; N199-K201 PolarHBondContact OD1-N 2.77Å; N199-L202 PolarHBondContact N-O 2.92Å; N199-L202 PolarHBondContact O-N 2.8Å; N199-L202 PolarHBondContact OD1-N 2.83Å
200K91.4Very high95.9Very high199 Ų19959.2 Ų59.287%0.86530%0.295SS*.SBendtrans-60.2-19.7-179.9-65.8-176.1-178.9178.80114.4
201K94.5Very high95.8Very high99 Ų9958 Ų5843%0.4329%0.293SS..SBendtrans-109.7-23.8-177.9-66.8-173.5170.5-155.20113.8N199 Y225 Q226 I227N199-K201 PolarHBondContact O-N 2.82Å; N199-K201 VanDerWaalsContact O-N 3.09Å; N199-K201 WeakPolarHBondContact OD1-CA 3.28Å; N199-K201 WeakPolarHBondContact OD1-CB 3.45Å; N199-K201 PolarHBondContact OD1-N 2.77Å; K201-Y225 HydrophobicContact CB-CD2 4.48Å; K201-Y225 HydrophobicContact CB-CE2 4.12Å; K201-Y225 CarbonylContact O-C 3.52Å; K201-Y225 WeakPolarHBondContact O-CA 3.28Å; K201-Q226 HydrophobicContact CB-CB 4.28Å; K201-Q226 WeakPolarHBondContact CB-O 3.24Å; K201-Q226 WeakPolarHBondContact CD-O 3.42Å; K201-Q226 HydrophobicContact CG-CB 4.5Å; K201-Q226 PolarHBondContact O-N 3.43Å; K201-I227 PolarHBondContact NZ-O 2.91Å
202L96.2Very high95.5Very high44 Ų4460 Ų6023%0.2331%0.308CS..EExtended strand (participates in β ladder)trans-118.3121.2-172.9-178.863.2000111.5V198 N199 T204 A223 K224 Y225V198-L202 HydrophobicContact CB-CB 4.33Å; V198-L202 HydrophobicContact CB-CD2 4.11Å; V198-L202 HydrophobicContact CB-CG 4.2Å; V198-L202 HydrophobicContact CG1-CD2 4.23Å; V198-L202 HydrophobicContact CG2-CD2 4.29Å; V198-L202 HydrophobicContact CG2-CG 4.36Å; V198-L202 PolarHBondContact N-O 2.8Å; N199-L202 PolarHBondContact N-O 2.92Å; N199-L202 PolarHBondContact O-N 2.8Å; N199-L202 PolarHBondContact OD1-N 2.83Å; L202-T204 HydrophobicContact CD1-CG2 4.32Å; L202-T204 HydrophobicContact CG-CG2 4.26Å; L202-A223 HydrophobicContact CD1-CB 4.44Å; L202-K224 WeakPolarHBondContact CA-O 3.33Å; L202-Y225 HydrophobicContact CB-CD2 4.17Å; L202-Y225 HydrophobicContact CD1-CD2 4.12Å
203E96.9Very high95.1Very high49 Ų4963.8 Ų63.823%0.22935%0.348CS..EExtended strand (participates in β ladder)trans-115.5139170.7-64.5171.2-169.500108.8V17 Y195 K197 A223 K224V17-E203 HydrophobicContact CG2-CB 4.34Å; Y195-E203 HydrophobicContact CE2-CB 4.05Å; Y195-E203 HydrophobicContact CE2-CG 4.21Å; Y195-E203 WeakPolarHBondContact OH-CG 3.21Å; K197-E203 HydrophobicContact CG-CG 4.35Å; E203-A223 CarbonylContact O-C 3.53Å; E203-A223 VanDerWaalsContact O-CA 3.3Å; E203-A223 WeakPolarHBondContact O-CA 3.26Å; E203-K224 HydrophobicContact CB-CB 4.4Å; E203-K224 PolarHBondContact N-O 3.2Å; E203-K224 PolarHBondContact O-N 3.3Å
204T97.7Very high94.5Very high37 Ų3767 Ų6723%0.22736%0.364CS..EExtended strand (participates in β ladder)trans-130.7147.3178.357.50000110Y195 Q196 V198 L202 A222 A223Y195-T204 WeakPolarHBondContact CA-O 3.47Å; Q196-T204 PolarHBondContact N-O 2.98Å; Q196-T204 PolarHBondContact O-N 2.76Å; Q196-T204 PolarHBondContact O-OG1 2.69Å; V198-T204 HydrophobicContact CG2-CG2 4.04Å; L202-T204 HydrophobicContact CD1-CG2 4.32Å; L202-T204 HydrophobicContact CG-CG2 4.26Å; T204-A222 CarbonylContact C-O 3.55Å; T204-A222 WeakPolarHBondContact CA-O 3.46Å; T204-A223 HydrophobicContact CG2-CB 4.22Å
205A98Very high93.7Very high1 Ų169 Ų691%0.00838%0.384CS..EExtended strand (participates in β ladder)trans-139.2143.1175.700000111.2A14 V17 F18 I194 I221 A222A14-A205 HydrophobicContact CB-CB 4.08Å; V17-A205 HydrophobicContact CB-CB 3.83Å; V17-A205 HydrophobicContact CG1-CB 4.07Å; V17-A205 HydrophobicContact CG2-CB 4.23Å; F18-A205 HydrophobicContact CD2-CB 4.02Å; F18-A205 HydrophobicContact CE2-CB 3.66Å; I194-A205 CarbonylContact O-C 3.58Å; I194-A205 WeakPolarHBondContact O-CA 3.36Å; A205-I221 CarbonylContact O-C 3.52Å; A205-I221 WeakPolarHBondContact O-CA 3.31Å; A205-A222 PolarHBondContact N-O 3.02Å; A205-A222 PolarHBondContact O-N 3.14Å
206V97.8Very high93Very high49 Ų4972.9 Ų72.930%0.29741%0.407SS..EExtended strand (participates in β ladder)trans-121.3138.5171.6-177.60000107.4S193 I194 F219 G220 I221S193-V206 CarbonylContact C-O 3.59Å; S193-V206 WeakPolarHBondContact CA-O 3.15Å; I194-V206 HydrophobicContact CB-CB 4.48Å; I194-V206 PolarHBondContact N-O 3.43Å; I194-V206 PolarHBondContact O-N 3.29Å; V206-F219 HydrophobicContact CG1-CD2 4.42Å; V206-F219 HydrophobicContact CG1-CE2 3.55Å; V206-F219 HydrophobicContact CG1-CZ 4.03Å; V206-G220 WeakPolarHBondContact CA-O 3.21Å; V206-I221 HydrophobicContact CG2-CG1 4.36Å
207N97Very high92.7Very high66 Ų6671.4 Ų71.435%0.35341%0.405SS..EExtended strand (participates in β ladder)trans-130.8133.7175.4-171.746.5000109.9F18 G192 F219 G220F18-N207 HydrophobicContact CD2-CB 4.46Å; F18-N207 HydrophobicContact CE2-CB 3.83Å; F18-N207 HydrophobicContact CZ-CB 4.02Å; G192-N207 PolarHBondContact O-OD1 2.79Å; N207-F219 CarbonylContact O-C 3.58Å; N207-F219 WeakPolarHBondContact O-CA 3.22Å; N207-G220 PolarHBondContact N-O 3.5Å; N207-G220 PolarHBondContact O-N 2.53Å
208L95.7Very high92.6Very high67 Ų6773.7 Ų73.735%0.35141%0.411SS..EExtended strand (participates in β ladder)trans-131.9130.3177.9-178.274.1000107.8G191 G192 W210 T217 R218 F219G191-L208 CarbonylContact C-O 3.49Å; G191-L208 WeakPolarHBondContact CA-O 3.35Å; G192-L208 PolarHBondContact N-O 2.82Å; G192-L208 PolarHBondContact O-N 3.05Å; G192-L208 VanDerWaalsContact O-O 3.05Å; L208-W210 HydrophobicContact CD2-CZ3 4.34Å; L208-T217 HydrophobicContact CD1-CG2 3.48Å; L208-T217 VanDerWaalsContact CD1-CG2 3.48Å; L208-R218 CarbonylContact C-O 3.47Å; L208-R218 WeakPolarHBondContact CA-O 3.46Å; L208-F219 HydrophobicContact CD1-CB 4.25Å; L208-F219 HydrophobicContact CD1-CD2 3.94Å
209A95.1Very high92.7Very high12 Ų1274.1 Ų74.110%0.09941%0.407CS..EExtended strand (participates in β ladder)trans-147.3142.7171.800000110.8F190 R218F190-A209 CarbonylContact O-C 3.57Å; F190-A209 WeakPolarHBondContact O-CA 3.38Å; A209-R218 PolarHBondContact N-O 2.89Å; A209-R218 PolarHBondContact O-N 3.02Å
210W93.9Very high92.9Very high104 Ų10470.7 Ų70.739%0.39439%0.39SS..EExtended strand (participates in β ladder)trans-140.2159.2172.975.591.4000110.4F190 L208F190-W210 HydrophobicContact CB-CD2 3.7Å; F190-W210 HydrophobicContact CB-CE3 3.92Å; F190-W210 HydrophobicContact CB-CG 4.44Å; F190-W210 HydrophobicContact CB-CH2 3.55Å; F190-W210 HydrophobicContact CB-CZ2 3.29Å; F190-W210 HydrophobicContact CB-CZ3 3.85Å; F190-W210 HydrophobicContact CD1-CZ2 4.01Å; F190-W210 AromaticContact CD2-CE2 3.85Å; F190-W210 HydrophobicContact CD2-CZ2 4.08Å; F190-W210 AromaticContact CD2-NE1 3.52Å; F190-W210 HydrophobicContact CG-CD2 4.48Å; F190-W210 AromaticContact CG-CE2 3.69Å; F190-W210 HydrophobicContact CG-CH2 4.18Å; F190-W210 AromaticContact CG-CZ2 3.53Å; F190-W210 HydrophobicContact CG-CZ2 3.53Å; F190-W210 AromaticContact CG-NE1 3.88Å; F190-W210 PolarHBondContact N-O 3.34Å; F190-W210 PolarHBondContact O-N 2.88Å; L208-W210 HydrophobicContact CD2-CZ3 4.34Å
211T93.5Very high93.2Very high37 Ų3765 Ų6523%0.22737%0.368CS..EExtended strand (participates in β ladder)trans-114.7128.3177.2-55.20000108.4T188 E189 G213 N214T188-T211 CarbonylContact O-C 3.47Å; T188-T211 WeakPolarHBondContact O-CA 3.4Å; E189-T211 HydrophobicContact CG-CG2 4.31Å; T211-G213 PolarHBondContact O-N 2.89Å; T211-N214 WeakPolarHBondContact O-CB 3.26Å; T211-N214 PolarHBondContact O-N 3.37Å
212A88.9Confident93.3Very high52 Ų5260.3 Ų60.343%0.4335%0.348SS..THydrogen-bonded Turntrans-55.5136.9177.400000110.9T188 F190 N214T188-A212 PolarHBondContact O-N 3.4Å; F190-A212 HydrophobicContact CE2-CB 4.23Å; A212-N214 PolarHBondContact O-N 3.25Å
213G87.8Confident93.4Very high98 Ų9859.8 Ų59.8100%1.0135%0.35SS*.THydrogen-bonded Turntrans76.5-3-174.800000114.8T211T211-G213 PolarHBondContact O-N 2.89Å
214N84.8Confident93.5Very high75 Ų7560.4 Ų60.440%0.40135%0.352SS..  trans-115.4128.8173.3-165.1-27.9000109.9T211 A212 N216T211-N214 WeakPolarHBondContact O-CB 3.26Å; T211-N214 PolarHBondContact O-N 3.37Å; A212-N214 PolarHBondContact O-N 3.25Å; N214-N216 PolarHBondContact O-N 3.12Å; N214-N216 WeakPolarHBondContact OD1-CB 3.46Å; N214-N216 PolarHBondContact OD1-N 3.26Å; N214-N216 PolarHBondContact OD1-ND2 2.83Å
215S80.5Confident93.4Very high113 Ų11363.5 Ų63.579%0.7936%0.36SS*.  trans-72.4-7.4176.254.60000113.6T217S215-T217 PolarHBondContact O-N 2.92Å; S215-T217 VanDerWaalsContact O-N 3.08Å
216N83.6Confident93.3Very high106 Ų10666.1 Ų66.157%0.56737%0.372SS*.  trans-80.191.6-176.7-66.1-17.9000111.5N214N214-N216 PolarHBondContact O-N 3.12Å; N214-N216 WeakPolarHBondContact OD1-CB 3.46Å; N214-N216 PolarHBondContact OD1-N 3.26Å; N214-N216 PolarHBondContact OD1-ND2 2.83Å
217T91.4Very high93.2Very high66 Ų6667.1 Ų67.141%0.40538%0.375SS..  trans-72.9134.9163.6-58.20000109.7L208 S215 N239L208-T217 HydrophobicContact CD1-CG2 3.48Å; L208-T217 VanDerWaalsContact CD1-CG2 3.48Å; S215-T217 PolarHBondContact O-N 2.92Å; S215-T217 VanDerWaalsContact O-N 3.08Å; T217-N239 PolarHBondContact O-ND2 2.8Å
218R93.3Very high93Very high125 Ų12567 Ų6747%0.47238%0.375SS..EExtended strand (participates in β ladder)trans-102.6118.7170.6-64.2173.8-70.5-173.2-5107.8L208 A209L208-R218 CarbonylContact C-O 3.47Å; L208-R218 WeakPolarHBondContact CA-O 3.46Å; A209-R218 PolarHBondContact N-O 2.89Å; A209-R218 PolarHBondContact O-N 3.02Å
219F95.4Very high92.8Very high81 Ų8169.5 Ų69.536%0.35540%0.395SS..EExtended strand (participates in β ladder)trans-128.4139.2178.3176.6-99.2000109.8V206 N207 L208 I221 N238 N239V206-F219 HydrophobicContact CG1-CD2 4.42Å; V206-F219 HydrophobicContact CG1-CE2 3.55Å; V206-F219 HydrophobicContact CG1-CZ 4.03Å; N207-F219 CarbonylContact O-C 3.58Å; N207-F219 WeakPolarHBondContact O-CA 3.22Å; L208-F219 HydrophobicContact CD1-CB 4.25Å; L208-F219 HydrophobicContact CD1-CD2 3.94Å; F219-I221 HydrophobicContact CE1-CD1 3.76Å; F219-I221 HydrophobicContact CE1-CG1 3.68Å; F219-I221 HydrophobicContact CZ-CD1 3.78Å; F219-I221 HydrophobicContact CZ-CG1 3.62Å; F219-N238 CarbonylContact O-C 3.54Å; F219-N238 WeakPolarHBondContact O-CA 3.36Å; F219-N238 VanDerWaalsContact O-CB 3.31Å; F219-N238 WeakPolarHBondContact O-CB 3.27Å; F219-N239 HydrophobicContact CB-CB 4.23Å; F219-N239 PolarHBondContact N-OD1 2.99Å; F219-N239 PolarHBondContact O-N 2.84Å; F219-N239 PolarHBondContact O-OD1 3.3Å
220G97.2Very high92.8Very high5 Ų573 Ų735%0.05241%0.412CS..EExtended strand (participates in β ladder)trans-152.3154.2173.400000113F18 V206 N207 V237F18-G220 WeakPolarHBondContact CZ-O 3.23Å; V206-G220 WeakPolarHBondContact CA-O 3.21Å; N207-G220 PolarHBondContact N-O 3.5Å; N207-G220 PolarHBondContact O-N 2.53Å; G220-V237 CarbonylContact C-O 3.58Å; G220-V237 WeakPolarHBondContact CA-O 3.46Å
221I97.6Very high92.8Very high78 Ų7868.1 Ų68.140%0.439%0.393SS..EExtended strand (participates in β ladder)trans-124.9136.6174.5-57.8170.2000107.1A205 V206 F219 K236 V237A205-I221 CarbonylContact O-C 3.52Å; A205-I221 WeakPolarHBondContact O-CA 3.31Å; V206-I221 HydrophobicContact CG2-CG1 4.36Å; F219-I221 HydrophobicContact CE1-CD1 3.76Å; F219-I221 HydrophobicContact CE1-CG1 3.68Å; F219-I221 HydrophobicContact CZ-CD1 3.78Å; F219-I221 HydrophobicContact CZ-CG1 3.62Å; I221-K236 CarbonylContact O-C 3.54Å; I221-K236 VanDerWaalsContact O-CA 3.25Å; I221-K236 WeakPolarHBondContact O-CA 3.46Å; I221-V237 HydrophobicContact CB-CG1 4.3Å; I221-V237 PolarHBondContact N-O 2.83Å; I221-V237 PolarHBondContact O-N 3.34Å
222A98.1Very high93Very high2 Ų266.8 Ų66.82%0.01739%0.386CS..EExtended strand (participates in β ladder)trans-133.7151.3174.200000110.8V17 F18 T204 A205 A235 K236V17-A222 HydrophobicContact CG1-CB 3.76Å; F18-A222 HydrophobicContact CD1-CB 3.66Å; F18-A222 HydrophobicContact CD2-CB 3.96Å; F18-A222 HydrophobicContact CE1-CB 3.53Å; F18-A222 HydrophobicContact CE2-CB 3.83Å; F18-A222 HydrophobicContact CG-CB 3.86Å; F18-A222 HydrophobicContact CZ-CB 3.6Å; T204-A222 CarbonylContact C-O 3.55Å; T204-A222 WeakPolarHBondContact CA-O 3.46Å; A205-A222 PolarHBondContact N-O 3.02Å; A205-A222 PolarHBondContact O-N 3.14Å; A222-A235 CarbonylContact C-O 3.59Å; A222-A235 VanDerWaalsContact CA-O 3.23Å; A222-A235 WeakPolarHBondContact CA-O 3.39Å; A222-K236 HydrophobicContact CB-CB 3.68Å
223A97.7Very high93.4Very high32 Ų3268.2 Ų68.226%0.26438%0.382SS..EExtended strand (participates in β ladder)trans-139146.3175.100000109.4L202 E203 T204 S234 A235L202-A223 HydrophobicContact CD1-CB 4.44Å; E203-A223 CarbonylContact O-C 3.53Å; E203-A223 VanDerWaalsContact O-CA 3.3Å; E203-A223 WeakPolarHBondContact O-CA 3.26Å; T204-A223 HydrophobicContact CG2-CB 4.22Å; A223-S234 CarbonylContact O-C 3.6Å; A223-S234 WeakPolarHBondContact O-CA 3.35Å; A223-A235 PolarHBondContact N-O 3.35Å; A223-A235 PolarHBondContact O-N 2.86Å; A223-A235 VanDerWaalsContact O-O 3.12Å
224K97.6Very high93.8Very high63 Ų6363.7 Ų63.727%0.27434%0.335SS..EExtended strand (participates in β ladder)trans-130.1123.1173.7179.8-174.3171.6-158.30108.1V17 L202 E203 C232 F233V17-K224 HydrophobicContact CG1-CB 4.19Å; L202-K224 WeakPolarHBondContact CA-O 3.33Å; E203-K224 HydrophobicContact CB-CB 4.4Å; E203-K224 PolarHBondContact N-O 3.2Å; E203-K224 PolarHBondContact O-N 3.3Å; K224-C232 WeakPolarHBondContact CE-SG 3.5Å; K224-C232 WeakPolarHBondContact CG-SG 3.35Å; K224-F233 CarbonylContact C-O 3.55Å; K224-F233 WeakPolarHBondContact CA-O 3.27Å
225Y97.1Very high94.4Very high101 Ų10161.4 Ų61.440%0.39633%0.327SS..EExtended strand (participates in β ladder)trans-119.3122.2-177.5-174.3-106.5000110.5K201 L202 I227 C232 F233K201-Y225 HydrophobicContact CB-CD2 4.48Å; K201-Y225 HydrophobicContact CB-CE2 4.12Å; K201-Y225 CarbonylContact O-C 3.52Å; K201-Y225 WeakPolarHBondContact O-CA 3.28Å; L202-Y225 HydrophobicContact CB-CD2 4.17Å; L202-Y225 HydrophobicContact CD1-CD2 4.12Å; Y225-I227 HydrophobicContact CD1-CG1 3.76Å; Y225-I227 HydrophobicContact CE1-CB 4.45Å; Y225-I227 HydrophobicContact CE1-CG1 3.97Å; Y225-C232 CarbonylContact O-C 3.54Å; Y225-C232 WeakPolarHBondContact O-CA 3.34Å; Y225-C232 PolarHBondContact O-SG 3.07Å; Y225-F233 PolarHBondContact N-O 2.78Å; Y225-F233 PolarHBondContact O-N 2.77Å
226Q96.1Very high95.3Very high57 Ų5758.3 Ų58.327%0.26630%0.299SS..EExtended strand (participates in β ladder)trans-86.6107.5172.4-164.572.636.700108.5K201 D228 A231K201-Q226 HydrophobicContact CB-CB 4.28Å; K201-Q226 WeakPolarHBondContact CB-O 3.24Å; K201-Q226 WeakPolarHBondContact CD-O 3.42Å; K201-Q226 HydrophobicContact CG-CB 4.5Å; K201-Q226 PolarHBondContact O-N 3.43Å; Q226-D228 WeakPolarHBondContact CG-O 3.32Å; Q226-D228 PolarHBondContact NE2-O 3.28Å; Q226-A231 PolarHBondContact NE2-O 2.84Å
227I94Very high95.9Very high70 Ų7056.4 Ų56.436%0.35929%0.291SS..SBendtrans-70-55.4-178.3-62.1166.7000108.4K201 Y225 A231 F233 Y247K201-I227 PolarHBondContact NZ-O 2.91Å; Y225-I227 HydrophobicContact CD1-CG1 3.76Å; Y225-I227 HydrophobicContact CE1-CB 4.45Å; Y225-I227 HydrophobicContact CE1-CG1 3.97Å; I227-A231 HydrophobicContact CB-CB 4.31Å; I227-A231 PolarHBondContact N-O 2.8Å; I227-F233 HydrophobicContact CD1-CB 4.15Å; I227-Y247 HydrophobicContact CD1-CE2 4Å
228D93.1Very high96.1Very high63 Ų6355.9 Ų55.934%0.33729%0.286SS..SBendtrans-142.6175.8177.263.855.8000109.1Q226 D230 A231Q226-D228 WeakPolarHBondContact CG-O 3.32Å; Q226-D228 PolarHBondContact NE2-O 3.28Å; D228-D230 PolarHBondContact O-N 2.84Å; D228-D230 VanDerWaalsContact O-N 3.1Å; D228-D230 WeakPolarHBondContact OD1-CA 3.39Å; D228-D230 PolarHBondContact OD1-N 2.81Å; D228-A231 PolarHBondContact N-O 2.81Å; D228-A231 PolarHBondContact O-N 2.75Å; D228-A231 VanDerWaalsContact O-O 3.11Å; D228-A231 WeakPolarHBondContact OD1-CB 3.41Å; D228-A231 PolarHBondContact OD1-N 2.78Å; D228-A231 WeakPolarHBondContact OD2-CB 3.35Å
229P92Very high96Very high120 Ų12053.8 Ų53.878%0.77928%0.284SS*.SBendtrans-56.6-24.5-178-27.437.3000115.5
230D94.4Very high95.8Very high86 Ų8652.7 Ų52.746%0.4629%0.287SS..SBendtrans-105.6-17.7-174.4-66.6-49.8000112.9D228 Q249 T250D228-D230 PolarHBondContact O-N 2.84Å; D228-D230 VanDerWaalsContact O-N 3.1Å; D228-D230 WeakPolarHBondContact OD1-CA 3.39Å; D228-D230 PolarHBondContact OD1-N 2.81Å; D230-Q249 CarbonylContact O-C 3.55Å; D230-Q249 VanDerWaalsContact O-CA 3.31Å; D230-Q249 WeakPolarHBondContact O-CA 3.49Å; D230-T250 PolarHBondContact O-N 2.76Å
231A95.6Very high95.6Very high0 Ų054.8 Ų54.80%030%0.3CS..EExtended strand (participates in β ladder)trans-120.4130.9-177.300000113.6Q226 I227 D228 Y247 T248Q226-A231 PolarHBondContact NE2-O 2.84Å; I227-A231 HydrophobicContact CB-CB 4.31Å; I227-A231 PolarHBondContact N-O 2.8Å; D228-A231 PolarHBondContact N-O 2.81Å; D228-A231 PolarHBondContact O-N 2.75Å; D228-A231 VanDerWaalsContact O-O 3.11Å; D228-A231 WeakPolarHBondContact OD1-CB 3.41Å; D228-A231 PolarHBondContact OD1-N 2.78Å; D228-A231 WeakPolarHBondContact OD2-CB 3.35Å; A231-Y247 HydrophobicContact CB-CE2 4.24Å; A231-T248 CarbonylContact C-O 3.57Å; A231-T248 WeakPolarHBondContact CA-O 3.33Å
232C96.2Very high95.4Very high10 Ų1053.8 Ų53.87%0.06830%0.295CS..EExtended strand (participates in β ladder)trans-132.3136.7177.4-177.40000111.1K224 Y225 Y247 T248K224-C232 WeakPolarHBondContact CE-SG 3.5Å; K224-C232 WeakPolarHBondContact CG-SG 3.35Å; Y225-C232 CarbonylContact O-C 3.54Å; Y225-C232 WeakPolarHBondContact O-CA 3.34Å; Y225-C232 PolarHBondContact O-SG 3.07Å; C232-Y247 WeakPolarHBondContact O-CA 3.3Å; C232-T248 PolarHBondContact N-O 2.85Å; C232-T248 PolarHBondContact O-N 2.85Å
233F97.3Very high95.3Very high81 Ų8156.9 Ų56.936%0.35531%0.311SS..EExtended strand (participates in β ladder)trans-112.4131.9174.2-178.4-103.5000110.1K224 Y225 I227 A235 L245 G246K224-F233 CarbonylContact C-O 3.55Å; K224-F233 WeakPolarHBondContact CA-O 3.27Å; Y225-F233 PolarHBondContact N-O 2.78Å; Y225-F233 PolarHBondContact O-N 2.77Å; I227-F233 HydrophobicContact CD1-CB 4.15Å; F233-A235 HydrophobicContact CE1-CB 3.94Å; F233-A235 HydrophobicContact CZ-CB 4.44Å; F233-L245 HydrophobicContact CZ-CD2 3.95Å; F233-G246 CarbonylContact C-O 3.38Å; F233-G246 WeakPolarHBondContact CA-O 3.36Å; F233-G246 WeakPolarHBondContact CD2-O 3.32Å
234S97.5Very high95.3Very high3 Ų355.4 Ų55.42%0.02130%0.299CS..EExtended strand (participates in β ladder)trans-122.1135.3177.4-590000109.3Y22 A223 L245 G246Y22-S234 VanDerWaalsContact OH-CB 3.31Å; Y22-S234 WeakPolarHBondContact OH-CB 3.17Å; A223-S234 CarbonylContact O-C 3.6Å; A223-S234 WeakPolarHBondContact O-CA 3.35Å; S234-L245 CarbonylContact O-C 3.56Å; S234-L245 WeakPolarHBondContact O-CA 3.06Å; S234-G246 PolarHBondContact N-O 2.68Å; S234-G246 PolarHBondContact O-N 2.89Å
235A97.7Very high95.3Very high28 Ų2855.1 Ų55.123%0.23130%0.3CS..EExtended strand (participates in β ladder)trans-134.2145.3175.300000110.4Y22 A222 A223 F233 G244 L245Y22-A235 VanDerWaalsContact OH-C 3.24Å; Y22-A235 PolarHBondContact OH-N 2.79Å; Y22-A235 PolarHBondContact OH-O 2.8Å; A222-A235 CarbonylContact C-O 3.59Å; A222-A235 VanDerWaalsContact CA-O 3.23Å; A222-A235 WeakPolarHBondContact CA-O 3.39Å; A223-A235 PolarHBondContact N-O 3.35Å; A223-A235 PolarHBondContact O-N 2.86Å; A223-A235 VanDerWaalsContact O-O 3.12Å; F233-A235 HydrophobicContact CE1-CB 3.94Å; F233-A235 HydrophobicContact CZ-CB 4.44Å; A235-G244 CarbonylContact C-O 3.51Å; A235-G244 VanDerWaalsContact CA-O 3.29Å; A235-G244 WeakPolarHBondContact CA-O 3.33Å; A235-L245 HydrophobicContact CB-CD2 3.96Å
236K97.5Very high95.3Very high47 Ų4750.4 Ų50.420%0.20428%0.282CS..EExtended strand (participates in β ladder)trans-146.3149.5172.363.5-179.5172.7-176.40111.5F18 Y22 F24 I221 A222 I243 G244F18-K236 HydrophobicContact CD1-CB 4.2Å; F18-K236 HydrophobicContact CD1-CD 4.12Å; F18-K236 HydrophobicContact CE1-CB 4.32Å; F18-K236 WeakPolarHBondContact O-CD 3.48Å; F18-K236 PolarHBondContact O-NZ 2.93Å; Y22-K236 HydrophobicContact CD2-CD 4.49Å; Y22-K236 HydrophobicContact CE1-CD 4.47Å; Y22-K236 HydrophobicContact CE1-CG 4.33Å; Y22-K236 HydrophobicContact CE2-CD 4.01Å; F24-K236 VanDerWaalsContact CE2-CE 3.48Å; I221-K236 CarbonylContact O-C 3.54Å; I221-K236 VanDerWaalsContact O-CA 3.25Å; I221-K236 WeakPolarHBondContact O-CA 3.46Å; A222-K236 HydrophobicContact CB-CB 3.68Å; K236-I243 CarbonylContact O-C 3.41Å; K236-I243 WeakPolarHBondContact O-CA 3.4Å; K236-G244 PolarHBondContact N-O 2.96Å; K236-G244 PolarHBondContact O-N 2.87Å
237V97Very high95.4Very high66 Ų6651 Ų5140%0.428%0.283SS..EExtended strand (participates in β ladder)trans-137.6147.8175.1650000109.4G220 I221 L242 I243G220-V237 CarbonylContact C-O 3.58Å; G220-V237 WeakPolarHBondContact CA-O 3.46Å; I221-V237 HydrophobicContact CB-CG1 4.3Å; I221-V237 PolarHBondContact N-O 2.83Å; I221-V237 PolarHBondContact O-N 3.34Å; V237-L242 WeakPolarHBondContact CA-O 3.45Å; V237-I243 HydrophobicContact CG2-CG1 4.11Å
238N94.9Very high95.5Very high55 Ų5548.1 Ų48.129%0.29427%0.268SS..EExtended strand (participates in β ladder)trans-128.7170173.270.417.5000112.5F219 S240 S241 L242F219-N238 CarbonylContact O-C 3.54Å; F219-N238 WeakPolarHBondContact O-CA 3.36Å; F219-N238 VanDerWaalsContact O-CB 3.31Å; F219-N238 WeakPolarHBondContact O-CB 3.27Å; N238-S240 PolarHBondContact O-N 3.15Å; N238-S240 WeakPolarHBondContact OD1-CA 3.31Å; N238-S240 WeakPolarHBondContact OD1-CB 3.36Å; N238-S240 PolarHBondContact OD1-N 2.67Å; N238-S241 PolarHBondContact O-N 2.8Å; N238-S241 PolarHBondContact OD1-N 2.86Å; N238-L242 PolarHBondContact N-O 2.87Å; N238-L242 WeakPolarHBondContact OD1-CB 3.29Å; N238-L242 PolarHBondContact OD1-N 2.82Å
239N92.8Very high95.7Very high82 Ų8248.4 Ų48.444%0.43927%0.268SS..THydrogen-bonded Turntrans-73.60.6178.169.5-34.9000114.6T217 F219 S241T217-N239 PolarHBondContact O-ND2 2.8Å; F219-N239 HydrophobicContact CB-CB 4.23Å; F219-N239 PolarHBondContact N-OD1 2.99Å; F219-N239 PolarHBondContact O-N 2.84Å; F219-N239 PolarHBondContact O-OD1 3.3Å; N239-S241 VanDerWaalsContact C-N 3.27Å
240S91.3Very high95.9Very high58 Ų5844.8 Ų44.841%0.40624%0.243SC..THydrogen-bonded Turntrans-88.65.9164-60.80000112.5N238 L242 K266N238-S240 PolarHBondContact O-N 3.15Å; N238-S240 WeakPolarHBondContact OD1-CA 3.31Å; N238-S240 WeakPolarHBondContact OD1-CB 3.36Å; N238-S240 PolarHBondContact OD1-N 2.67Å; S240-L242 VanDerWaalsContact C-N 3.26Å; S240-L242 PolarHBondContact O-N 2.78Å; S240-K266 WeakPolarHBondContact O-CE 3.24Å
241S91.6Very high95.9Very high48 Ų4845 Ų4534%0.33624%0.244SC..  trans6523.1-176.4-44.80000114.2N238 N239 G265N238-S241 PolarHBondContact O-N 2.8Å; N238-S241 PolarHBondContact OD1-N 2.86Å; N239-S241 VanDerWaalsContact C-N 3.27Å; S241-G265 VanDerWaalsContact O-CA 3.25Å; S241-G265 WeakPolarHBondContact O-CA 3.39Å; S241-G265 PolarHBondContact O-N 2.93Å
242L94.5Very high95.8Very high57 Ų5751.8 Ų51.830%0.29827%0.274SS..EExtended strand (participates in β ladder)trans-85.2125.4172.4-65168.6000109.7V237 N238 S240 L262 L263 D264V237-L242 WeakPolarHBondContact CA-O 3.45Å; N238-L242 PolarHBondContact N-O 2.87Å; N238-L242 WeakPolarHBondContact OD1-CB 3.29Å; N238-L242 PolarHBondContact OD1-N 2.82Å; S240-L242 VanDerWaalsContact C-N 3.26Å; S240-L242 PolarHBondContact O-N 2.78Å; L242-L262 HydrophobicContact CB-CD1 4.17Å; L242-L263 WeakPolarHBondContact CA-O 3.31Å; L242-D264 HydrophobicContact CD2-CB 4.23Å
243I95.8Very high95.6Very high68 Ų6857.7 Ų57.735%0.34931%0.312SS..EExtended strand (participates in β ladder)trans-110114.5178.5-58.2168000108.3K236 V237 L245 L262 L263K236-I243 CarbonylContact O-C 3.41Å; K236-I243 WeakPolarHBondContact O-CA 3.4Å; V237-I243 HydrophobicContact CG2-CG1 4.11Å; I243-L245 HydrophobicContact CG2-CD2 4.2Å; I243-L245 HydrophobicContact CG2-CG 4.32Å; I243-L262 CarbonylContact O-C 3.55Å; I243-L262 WeakPolarHBondContact O-CA 3.42Å; I243-L263 HydrophobicContact CB-CB 4.32Å; I243-L263 PolarHBondContact N-O 2.85Å; I243-L263 PolarHBondContact O-N 3.48Å
244G97.3Very high95.4Very high1 Ų155.2 Ų55.21%0.0131%0.309CS..EExtended strand (participates in β ladder)trans-99.7128.5174.500000110.9A235 K236 A261A235-G244 CarbonylContact C-O 3.51Å; A235-G244 VanDerWaalsContact CA-O 3.29Å; A235-G244 WeakPolarHBondContact CA-O 3.33Å; K236-G244 PolarHBondContact N-O 2.96Å; K236-G244 PolarHBondContact O-N 2.87Å; G244-A261 CarbonylContact C-O 3.52Å; G244-A261 WeakPolarHBondContact CA-O 3.43Å
245L97.4Very high95.3Very high57 Ų5757.5 Ų57.530%0.29832%0.321SS..EExtended strand (participates in β ladder)trans-120144.1173.6-57.5177.7000109.3F233 S234 A235 I243 S260 A261 L263F233-L245 HydrophobicContact CZ-CD2 3.95Å; S234-L245 CarbonylContact O-C 3.56Å; S234-L245 WeakPolarHBondContact O-CA 3.06Å; A235-L245 HydrophobicContact CB-CD2 3.96Å; I243-L245 HydrophobicContact CG2-CD2 4.2Å; I243-L245 HydrophobicContact CG2-CG 4.32Å; L245-S260 CarbonylContact O-C 3.57Å; L245-S260 WeakPolarHBondContact O-CA 3.47Å; L245-S260 WeakPolarHBondContact O-CB 3.44Å; L245-A261 PolarHBondContact N-O 2.86Å; L245-A261 PolarHBondContact O-N 3.22Å; L245-L263 HydrophobicContact CD1-CD1 4.5Å
246G97.8Very high95.2Very high2 Ų260 Ų602%0.02133%0.326CS..EExtended strand (participates in β ladder)trans-143.5134.6178.400000109.9F233 S234 L259F233-G246 CarbonylContact C-O 3.38Å; F233-G246 WeakPolarHBondContact CA-O 3.36Å; F233-G246 WeakPolarHBondContact CD2-O 3.32Å; S234-G246 PolarHBondContact N-O 2.68Å; S234-G246 PolarHBondContact O-N 2.89Å; G246-L259 CarbonylContact C-O 3.53Å; G246-L259 VanDerWaalsContact CA-O 3.31Å; G246-L259 WeakPolarHBondContact CA-O 3.26Å
247Y97.5Very high95.2Very high69 Ų6959.4 Ų59.427%0.27133%0.325SS..EExtended strand (participates in β ladder)trans-128121.4172.4178.9-101.8000108I227 A231 C232 Q249 T258 L259I227-Y247 HydrophobicContact CD1-CE2 4Å; A231-Y247 HydrophobicContact CB-CE2 4.24Å; C232-Y247 WeakPolarHBondContact O-CA 3.3Å; Y247-Q249 HydrophobicContact CD1-CB 4.48Å; Y247-Q249 HydrophobicContact CE1-CB 3.68Å; Y247-Q249 HydrophobicContact CE1-CG 4.44Å; Y247-Q249 VanDerWaalsContact OH-CD 3.29Å; Y247-Q249 PolarHBondContact OH-OE1 3.01Å; Y247-T258 CarbonylContact O-C 3.52Å; Y247-T258 WeakPolarHBondContact O-CA 3.35Å; Y247-L259 PolarHBondContact N-O 3.26Å; Y247-L259 PolarHBondContact O-N 2.96Å
248T97.2Very high95.2Very high10 Ų1057 Ų576%0.06131%0.311CS..EExtended strand (participates in β ladder)trans-117.7128179.2-54.70000109.1A231 C232 K256 L257A231-T248 CarbonylContact C-O 3.57Å; A231-T248 WeakPolarHBondContact CA-O 3.33Å; C232-T248 PolarHBondContact N-O 2.85Å; C232-T248 PolarHBondContact O-N 2.85Å; T248-K256 HydrophobicContact CG2-CD 3.73Å; T248-K256 HydrophobicContact CG2-CG 3.79Å; T248-L257 CarbonylContact C-O 3.55Å; T248-L257 VanDerWaalsContact CA-O 3.3Å; T248-L257 WeakPolarHBondContact CA-O 3.39Å
249Q96.6Very high95.3Very high68 Ų6858.3 Ų58.332%0.31832%0.317SS..EExtended strand (participates in β ladder)trans-131.3127.4178.8-170.2165.723.300111.2D230 Y247 L251 L257D230-Q249 CarbonylContact O-C 3.55Å; D230-Q249 VanDerWaalsContact O-CA 3.31Å; D230-Q249 WeakPolarHBondContact O-CA 3.49Å; Y247-Q249 HydrophobicContact CD1-CB 4.48Å; Y247-Q249 HydrophobicContact CE1-CB 3.68Å; Y247-Q249 HydrophobicContact CE1-CG 4.44Å; Y247-Q249 VanDerWaalsContact OH-CD 3.29Å; Y247-Q249 PolarHBondContact OH-OE1 3.01Å; Q249-L251 HydrophobicContact CG-CD2 4.24Å; Q249-L251 PolarHBondContact O-N 2.79Å; Q249-L257 PolarHBondContact N-O 3.09Å; Q249-L257 PolarHBondContact O-N 3.44Å
250T96.4Very high95.5Very high44 Ų4454.9 Ų54.927%0.2730%0.299SS..EExtended strand (participates in β ladder)trans-76.3111.1165.4-55.40000107.6D230 K252D230-T250 PolarHBondContact O-N 2.76Å; T250-K252 WeakPolarHBondContact CG2-O 3.47Å
251L94.2Very high95.8Very high92 Ų9253 Ų5348%0.48229%0.288SS..EExtended strand (participates in β ladder)trans-80.5-38.1-178.5-62178.6000111.2Q249 I255 L257Q249-L251 HydrophobicContact CG-CD2 4.24Å; Q249-L251 PolarHBondContact O-N 2.79Å; L251-I255 HydrophobicContact CB-CG2 4.29Å; L251-I255 HydrophobicContact CD1-CG2 4.22Å; L251-I255 PolarHBondContact N-O 3.26Å; L251-L257 HydrophobicContact CD1-CB 3.99Å; L251-L257 HydrophobicContact CD1-CD2 4.45Å; L251-L257 HydrophobicContact CG-CB 4.15Å
252K92.8Very high96Very high142 Ų14252.2 Ų52.262%0.61728%0.28SS*.EExtended strand (participates in β ladder)trans-151.8162.9175.4-70.8-168.4177.7-175.40108.4T250 G254 I255T250-K252 WeakPolarHBondContact CG2-O 3.47Å; K252-G254 PolarHBondContact O-N 2.8Å; K252-G254 VanDerWaalsContact O-N 3.12Å; K252-I255 HydrophobicContact CB-CB 4.49Å; K252-I255 HydrophobicContact CB-CD1 4.43Å; K252-I255 PolarHBondContact O-N 3.02Å
253P91.9Very high96Very high134 Ų13452.4 Ų52.487%0.8728%0.28SS*.THydrogen-bonded Turntrans-49.1123.8168-26.735.4000110.5I255P253-I255 PolarHBondContact O-N 3.09Å
254G93Very high95.8Very high29 Ų2950.6 Ų50.630%0.29927%0.272SS..THydrogen-bonded Turntrans81.9-2.7-177.800000116.3K252 F281 Q282K252-G254 PolarHBondContact O-N 2.8Å; K252-G254 VanDerWaalsContact O-N 3.12Å; G254-F281 CarbonylContact O-C 3.49Å; G254-F281 VanDerWaalsContact O-CA 3.26Å; G254-F281 WeakPolarHBondContact O-CA 3.23Å; G254-Q282 WeakPolarHBondContact CA-O 3.22Å; G254-Q282 PolarHBondContact O-N 3.17Å
255I95.7Very high95.4Very high51 Ų5152.1 Ų52.126%0.26229%0.287SS..EExtended strand (participates in β ladder)trans-121.9117176.2-53.6179.4000109.9L251 K252 P253 E280 F281L251-I255 HydrophobicContact CB-CG2 4.29Å; L251-I255 HydrophobicContact CD1-CG2 4.22Å; L251-I255 PolarHBondContact N-O 3.26Å; K252-I255 HydrophobicContact CB-CB 4.49Å; K252-I255 HydrophobicContact CB-CD1 4.43Å; K252-I255 PolarHBondContact O-N 3.02Å; P253-I255 PolarHBondContact O-N 3.09Å; I255-E280 WeakPolarHBondContact CA-O 3.03Å; I255-F281 HydrophobicContact CD1-CD1 4.25Å; I255-F281 HydrophobicContact CD1-CE1 4.06Å; I255-F281 HydrophobicContact CG1-CD1 3.89Å; I255-F281 HydrophobicContact CG1-CE1 4.08Å; I255-F281 HydrophobicContact CG2-CD1 4.27Å; I255-F281 HydrophobicContact CG2-CE1 3.92Å; I255-F281 HydrophobicContact CG2-CZ 4.45Å
256K96.6Very high94.9Very high80 Ų8056.2 Ų56.235%0.34830%0.303SS..EExtended strand (participates in β ladder)trans-123.4127.3-179.4-155-169-155.9-160.50111T248 L279 E280T248-K256 HydrophobicContact CG2-CD 3.73Å; T248-K256 HydrophobicContact CG2-CG 3.79Å; K256-L279 WeakPolarHBondContact O-CA 3.36Å; K256-E280 HydrophobicContact CB-CB 4.16Å; K256-E280 PolarHBondContact N-O 3.32Å; K256-E280 PolarHBondContact O-N 3.44Å
257L97Very high94.4Very high35 Ų3559.7 Ų59.718%0.18332%0.321CS..EExtended strand (participates in β ladder)trans-104.6132.7174.2172.765.9000109.3T248 Q249 L251 L259 L277 G278 L279T248-L257 CarbonylContact C-O 3.55Å; T248-L257 VanDerWaalsContact CA-O 3.3Å; T248-L257 WeakPolarHBondContact CA-O 3.39Å; Q249-L257 PolarHBondContact N-O 3.09Å; Q249-L257 PolarHBondContact O-N 3.44Å; L251-L257 HydrophobicContact CD1-CB 3.99Å; L251-L257 HydrophobicContact CD1-CD2 4.45Å; L251-L257 HydrophobicContact CG-CB 4.15Å; L257-L259 HydrophobicContact CD1-CD2 4.37Å; L257-L259 HydrophobicContact CG-CG 4.47Å; L257-L277 HydrophobicContact CD1-CD1 3.44Å; L257-L277 VanDerWaalsContact CD1-CD1 3.44Å; L257-G278 CarbonylContact C-O 3.57Å; L257-G278 WeakPolarHBondContact CA-O 3.45Å; L257-L279 HydrophobicContact CB-CD2 4.21Å; L257-L279 HydrophobicContact CD1-CD2 3.57Å; L257-L279 HydrophobicContact CD1-CG 4.29Å; L257-L279 HydrophobicContact CG-CD2 4.48Å
258T97.5Very high93.6Very high15 Ų1560.9 Ų60.99%0.09234%0.335CS..EExtended strand (participates in β ladder)trans-124.3120.2173-55.60000109.4Y247 L277 G278Y247-T258 CarbonylContact O-C 3.52Å; Y247-T258 WeakPolarHBondContact O-CA 3.35Å; T258-L277 CarbonylContact O-C 3.57Å; T258-L277 WeakPolarHBondContact O-CA 3.34Å; T258-G278 PolarHBondContact N-O 3.03Å; T258-G278 PolarHBondContact O-N 3.28Å
259L97.4Very high93Very high82 Ų8268.4 Ų68.443%0.42938%0.375SS..EExtended strand (participates in β ladder)trans-104.2138.5169.9-62.1173.3000108.4G246 Y247 L257 L277G246-L259 CarbonylContact C-O 3.53Å; G246-L259 VanDerWaalsContact CA-O 3.31Å; G246-L259 WeakPolarHBondContact CA-O 3.26Å; Y247-L259 PolarHBondContact N-O 3.26Å; Y247-L259 PolarHBondContact O-N 2.96Å; L257-L259 HydrophobicContact CD1-CD2 4.37Å; L257-L259 HydrophobicContact CG-CG 4.47Å; L259-L277 HydrophobicContact CD2-CD1 3.42Å; L259-L277 VanDerWaalsContact CD2-CD1 3.42Å
260S97Very high92.1Very high10 Ų1069.2 Ų69.27%0.0739%0.393CS..EExtended strand (participates in β ladder)trans-144149.5176.462.60000112G23 L245 L275 G276G23-S260 PolarHBondContact N-OG 3.18Å; L245-S260 CarbonylContact O-C 3.57Å; L245-S260 WeakPolarHBondContact O-CA 3.47Å; L245-S260 WeakPolarHBondContact O-CB 3.44Å; S260-L275 CarbonylContact O-C 3.53Å; S260-L275 WeakPolarHBondContact O-CA 3.49Å; S260-G276 PolarHBondContact N-O 3.24Å; S260-G276 PolarHBondContact O-N 3.21Å
261A95.9Very high91.4Very high19 Ų1968.4 Ų68.416%0.15739%0.394CS..EExtended strand (participates in β ladder)trans-138.6135.5178.400000109.9F24 G244 L245 K274 L275F24-A261 VanDerWaalsContact CE1-C 3.46Å; F24-A261 WeakPolarHBondContact CE1-O 3.25Å; G244-A261 CarbonylContact C-O 3.52Å; G244-A261 WeakPolarHBondContact CA-O 3.43Å; L245-A261 PolarHBondContact N-O 2.86Å; L245-A261 PolarHBondContact O-N 3.22Å; A261-K274 CarbonylContact C-O 3.49Å; A261-K274 VanDerWaalsContact CA-O 3.28Å; A261-K274 WeakPolarHBondContact CA-O 3.35Å; A261-L275 HydrophobicContact CB-CD2 3.78Å
262L96.1Very high90.9Very high32 Ų3266.9 Ų66.917%0.16840%0.4CS..EExtended strand (participates in β ladder)trans-112.8118.5170-176.367.4000107.8F24 L242 I243 H273 K274F24-L262 HydrophobicContact CB-CB 4.08Å; F24-L262 HydrophobicContact CD1-CB 3.77Å; F24-L262 HydrophobicContact CD2-CB 3.93Å; F24-L262 HydrophobicContact CD2-CD1 4.14Å; F24-L262 HydrophobicContact CD2-CD2 4.1Å; F24-L262 HydrophobicContact CD2-CG 4.3Å; F24-L262 HydrophobicContact CE1-CB 4.11Å; F24-L262 HydrophobicContact CE2-CB 4.24Å; F24-L262 HydrophobicContact CE2-CD1 3.84Å; F24-L262 HydrophobicContact CE2-CG 4.47Å; F24-L262 HydrophobicContact CG-CB 3.68Å; F24-L262 HydrophobicContact CG-CD2 4.44Å; F24-L262 HydrophobicContact CZ-CB 4.33Å; F24-L262 HydrophobicContact CZ-CD1 4.19Å; L242-L262 HydrophobicContact CB-CD1 4.17Å; I243-L262 CarbonylContact O-C 3.55Å; I243-L262 WeakPolarHBondContact O-CA 3.42Å; L262-H273 CarbonylContact O-C 3.58Å; L262-H273 WeakPolarHBondContact O-CA 2.9Å; L262-K274 HydrophobicContact CB-CB 4.21Å; L262-K274 HydrophobicContact CD2-CD 4.46Å; L262-K274 PolarHBondContact N-O 3.12Å; L262-K274 PolarHBondContact O-N 2.82Å
263L94.2Very high90.8Very high60 Ų6063.5 Ų63.531%0.31439%0.386SS..EExtended strand (participates in β ladder)trans-106.4131.6-179.7-53.7176.5000110.3L242 I243 L245 G265 H273L242-L263 WeakPolarHBondContact CA-O 3.31Å; I243-L263 HydrophobicContact CB-CB 4.32Å; I243-L263 PolarHBondContact N-O 2.85Å; I243-L263 PolarHBondContact O-N 3.48Å; L245-L263 HydrophobicContact CD1-CD1 4.5Å; L263-G265 PolarHBondContact O-N 2.81Å; L263-H273 VanDerWaalsContact CA-ND1 3.29Å; L263-H273 WeakPolarHBondContact CA-ND1 3.44Å; L263-H273 HydrophobicContact CD2-CB 4.06Å
264D92.4Very high90.8Very high31 Ų3160 Ų6017%0.16636%0.357CS..EExtended strand (participates in β ladder)trans-87.1103.2169.8-173.1-10.2000110.1L242 K266 N267 V268 H273L242-D264 HydrophobicContact CD2-CB 4.23Å; D264-K266 PolarHBondContact O-N 3.29Å; D264-K266 WeakPolarHBondContact OD1-CB 3.44Å; D264-K266 PolarHBondContact OD1-N 3Å; D264-N267 HydrophobicContact CB-CB 4.3Å; D264-N267 CarbonylContact O-C 3.54Å; D264-N267 PolarHBondContact O-N 3.19Å; D264-N267 PolarHBondContact OD1-N 2.8Å; D264-N267 PolarHBondContact OD2-ND2 2.81Å; D264-V268 PolarHBondContact O-N 3.48Å; D264-H273 PolarHBondContact N-CE1 2.8Å; D264-H273 PolarHBondContact N-ND1 2.85Å
265G88.3Confident90.9Very high33 Ų3364.4 Ų64.434%0.3437%0.374SS..SBendtrans-69.2-15.9178.800000114.4S241 L263S241-G265 VanDerWaalsContact O-CA 3.25Å; S241-G265 WeakPolarHBondContact O-CA 3.39Å; S241-G265 PolarHBondContact O-N 2.93Å; L263-G265 PolarHBondContact O-N 2.81Å
266K87.8Confident90.9Very high142 Ų14262.3 Ų62.362%0.61737%0.365SS*.SBendtrans-81-30.8171.8-63.1-176-179.5176.50111.6S240 D264S240-K266 WeakPolarHBondContact O-CE 3.24Å; D264-K266 PolarHBondContact O-N 3.29Å; D264-K266 WeakPolarHBondContact OD1-CB 3.44Å; D264-K266 PolarHBondContact OD1-N 3Å
267N86.1Confident90.9Very high75 Ų7561.5 Ų61.540%0.40136%0.364SS..  trans-120.441-171.5-66.5-57.7000112.4D264 N269 A270 G271D264-N267 HydrophobicContact CB-CB 4.3Å; D264-N267 CarbonylContact O-C 3.54Å; D264-N267 PolarHBondContact O-N 3.19Å; D264-N267 PolarHBondContact OD1-N 2.8Å; D264-N267 PolarHBondContact OD2-ND2 2.81Å; N267-N269 PolarHBondContact O-N 2.82Å; N267-N269 VanDerWaalsContact O-N 3.1Å; N267-A270 HydrophobicContact CB-CB 4.14Å; N267-A270 PolarHBondContact O-N 2.83Å; N267-G271 PolarHBondContact O-N 2.7Å
268V81.1Confident90.9Very high94 Ų9460.4 Ų60.457%0.5736%0.361SS*.THydrogen-bonded Turntrans-51.5-42.5-175.8-178.20000112.2D264 H273D264-V268 PolarHBondContact O-N 3.48Å; V268-H273 PolarHBondContact O-NE2 3.42Å
269N84.3Confident90.9Very high168 Ų16862.2 Ų62.290%0.89837%0.37SS*.THydrogen-bonded Turntrans-86-23.8-179.3-63.6-19.1000114N267N267-N269 PolarHBondContact O-N 2.82Å; N267-N269 VanDerWaalsContact O-N 3.1Å
270A79.4Confident90.8Very high85 Ų8561.7 Ų61.770%0.70237%0.365SS*.THydrogen-bonded Turntrans-92-4.1-173.200000113.3N267N267-A270 HydrophobicContact CB-CB 4.14Å; N267-A270 PolarHBondContact O-N 2.83Å
271G81.4Confident90.8Very high27 Ų2764.7 Ų64.728%0.27838%0.377SS..  trans87.3-152.2179.700000112.8N267 H273N267-G271 PolarHBondContact O-N 2.7Å; G271-H273 VanDerWaalsContact C-N 3.33Å
272G82.3Confident90.6Very high60 Ų6070.4 Ų70.462%0.61940%0.401SS*.  trans86.62.7-17200000114.4
273H90.4Very high90.2Very high71 Ų7174.1 Ų74.133%0.32944%0.436SS..  trans-70139.9174.2-50.9-53.9000110.5L262 L263 D264 V268 G271L262-H273 CarbonylContact O-C 3.58Å; L262-H273 WeakPolarHBondContact O-CA 2.9Å; L263-H273 VanDerWaalsContact CA-ND1 3.29Å; L263-H273 WeakPolarHBondContact CA-ND1 3.44Å; L263-H273 HydrophobicContact CD2-CB 4.06Å; D264-H273 PolarHBondContact N-CE1 2.8Å; D264-H273 PolarHBondContact N-ND1 2.85Å; V268-H273 PolarHBondContact O-NE2 3.42Å; G271-H273 VanDerWaalsContact C-N 3.33Å
274K93.7Very high90Very high60 Ų6074.9 Ų74.926%0.26144%0.442SS..EExtended strand (participates in β ladder)trans-115132.5177.8-51.3-168.1-170.2-150.20110.2F24 E50 A261 L262F24-K274 HydrophobicContact CB-CB 4.19Å; E50-K274 WeakPolarHBondContact OE1-CD 3.32Å; E50-K274 WeakPolarHBondContact OE1-CE 3.44Å; E50-K274 IonicContact OE1-NZ 3.78Å; E50-K274 PolarHBondContact OE1-NZ 2.87Å; E50-K274 IonicContact OE2-NZ 3.05Å; E50-K274 PolarHBondContact OE2-NZ 2.8Å; A261-K274 CarbonylContact C-O 3.49Å; A261-K274 VanDerWaalsContact CA-O 3.28Å; A261-K274 WeakPolarHBondContact CA-O 3.35Å; L262-K274 HydrophobicContact CB-CB 4.21Å; L262-K274 HydrophobicContact CD2-CD 4.46Å; L262-K274 PolarHBondContact N-O 3.12Å; L262-K274 PolarHBondContact O-N 2.82Å
275L94.2Very high89.9Confident123 Ų12377.2 Ų77.264%0.64446%0.456SS*.EExtended strand (participates in β ladder)trans-103.7150.7171-60.9179.1000109.8G25 S260 A261G25-L275 WeakPolarHBondContact CA-O 3.37Å; G25-L275 PolarHBondContact N-O 3.08Å; S260-L275 CarbonylContact O-C 3.53Å; S260-L275 WeakPolarHBondContact O-CA 3.49Å; A261-L275 HydrophobicContact CB-CD2 3.78Å
276G96Very high90Very high7 Ų779.6 Ų79.67%0.07246%0.463CS..EExtended strand (participates in β ladder)trans-141.6139.8-179.600000111.3G23 L26 S260G23-G276 WeakPolarHBondContact O-CA 3.27Å; L26-G276 CarbonylContact O-C 3.56Å; L26-G276 VanDerWaalsContact O-CA 3.28Å; L26-G276 WeakPolarHBondContact O-CA 3.45Å; S260-G276 PolarHBondContact N-O 3.24Å; S260-G276 PolarHBondContact O-N 3.21Å
277L96.8Very high90.1Very high62 Ų6275.9 Ų75.933%0.32545%0.454SS..EExtended strand (participates in β ladder)trans-129.6126.9178.4176.769000108.2L26 I27 K28 L257 T258 L259L26-L277 PolarHBondContact O-N 3.31Å; I27-L277 CarbonylContact C-O 3.58Å; I27-L277 VanDerWaalsContact CA-O 3.3Å; I27-L277 WeakPolarHBondContact CA-O 3.32Å; I27-L277 HydrophobicContact CG2-CD2 4.39Å; K28-L277 PolarHBondContact N-O 3.25Å; L257-L277 HydrophobicContact CD1-CD1 3.44Å; L257-L277 VanDerWaalsContact CD1-CD1 3.44Å; T258-L277 CarbonylContact O-C 3.57Å; T258-L277 WeakPolarHBondContact O-CA 3.34Å; L259-L277 HydrophobicContact CD2-CD1 3.42Å; L259-L277 VanDerWaalsContact CD2-CD1 3.42Å
278G96.8Very high90.4Very high12 Ų1276 Ų7612%0.12446%0.457CS..EExtended strand (participates in β ladder)trans-125.1129.6175.400000110.4K28 L257 T258K28-G278 CarbonylContact O-C 3.51Å; K28-G278 WeakPolarHBondContact O-CA 3.49Å; L257-G278 CarbonylContact C-O 3.57Å; L257-G278 WeakPolarHBondContact CA-O 3.45Å; T258-G278 PolarHBondContact N-O 3.03Å; T258-G278 PolarHBondContact O-N 3.28Å
279L96.5Very high91Very high53 Ų5374.8 Ų74.828%0.27745%0.45SS..EExtended strand (participates in β ladder)trans-119.3119.8171-73.7171.2000108.8K28 L29 D30 K256 L257 F281K28-L279 PolarHBondContact O-N 2.79Å; L29-L279 CarbonylContact C-O 3.49Å; L29-L279 WeakPolarHBondContact CA-O 3.39Å; L29-L279 HydrophobicContact CD1-CB 3.87Å; D30-L279 PolarHBondContact N-O 3.23Å; K256-L279 WeakPolarHBondContact O-CA 3.36Å; L257-L279 HydrophobicContact CB-CD2 4.21Å; L257-L279 HydrophobicContact CD1-CD2 3.57Å; L257-L279 HydrophobicContact CD1-CG 4.29Å; L257-L279 HydrophobicContact CG-CD2 4.48Å; L279-F281 HydrophobicContact CB-CE2 3.85Å
280E96.5Very high91.5Very high72 Ų7268.1 Ų68.134%0.33642%0.418SS..EExtended strand (participates in β ladder)trans-112.3124.5175.1-55.1-179.6-17300109.1D30 I255 K256D30-E280 HydrophobicContact CB-CG 4.28Å; D30-E280 CarbonylContact O-C 3.52Å; D30-E280 WeakPolarHBondContact O-CA 3.37Å; I255-E280 WeakPolarHBondContact CA-O 3.03Å; K256-E280 HydrophobicContact CB-CB 4.16Å; K256-E280 PolarHBondContact N-O 3.32Å; K256-E280 PolarHBondContact O-N 3.44Å
281F96.4Very high92.4Very high73 Ų7366.8 Ų66.832%0.3240%0.396SS..EExtended strand (participates in β ladder)trans-112.1132.9174-65-92.2000108.7L29 D30 L31 K32 G254 I255 L279L29-F281 HydrophobicContact CD1-CD2 3.69Å; L29-F281 HydrophobicContact CD1-CE2 3.45Å; L29-F281 VanDerWaalsContact CD1-CE2 3.45Å; D30-F281 PolarHBondContact O-N 3.44Å; L31-F281 CarbonylContact C-O 3.56Å; L31-F281 WeakPolarHBondContact CA-O 3.19Å; L31-F281 HydrophobicContact CD1-CB 3.58Å; K32-F281 PolarHBondContact N-O 2.91Å; G254-F281 CarbonylContact O-C 3.49Å; G254-F281 VanDerWaalsContact O-CA 3.26Å; G254-F281 WeakPolarHBondContact O-CA 3.23Å; I255-F281 HydrophobicContact CD1-CD1 4.25Å; I255-F281 HydrophobicContact CD1-CE1 4.06Å; I255-F281 HydrophobicContact CG1-CD1 3.89Å; I255-F281 HydrophobicContact CG1-CE1 4.08Å; I255-F281 HydrophobicContact CG2-CD1 4.27Å; I255-F281 HydrophobicContact CG2-CE1 3.92Å; I255-F281 HydrophobicContact CG2-CZ 4.45Å; L279-F281 HydrophobicContact CB-CE2 3.85Å
282Q92.8Very high93.3Very high139 Ų13970.2 Ų70.265%0.6541%0.405SS*.EExtended strand (participates in β ladder)trans-130.6122.3174.7-173173.9-0.400108.7K32 G254K32-Q282 HydrophobicContact CB-CG 4.43Å; K32-Q282 CarbonylContact O-C 3.5Å; K32-Q282 VanDerWaalsContact O-CA 3.27Å; K32-Q282 WeakPolarHBondContact O-CA 3.32Å; G254-Q282 WeakPolarHBondContact CA-O 3.22Å; G254-Q282 PolarHBondContact O-N 3.17Å
283A87.3Confident94.3Very high110 Ų11071.1 Ų71.191%0.90939%0.386SS*.  trans-125.40177.100000111.3K32 T33 K34K32-A283 PolarHBondContact O-N 3.49Å; T33-A283 CarbonylContact C-O 3.57Å; T33-A283 VanDerWaalsContact CA-O 3.26Å; T33-A283 WeakPolarHBondContact CA-O 3.25Å; T33-A283 HydrophobicContact CG2-CB 4.27Å; K34-A283 PolarHBondContact N-O 3.35Å

Retrieved 283 of 283 residues in 219.4 ms (Link to these results)

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