A0A087XL78_POEFO Loading...

Tectonic-1-3 domain-containing protein

AlphaFold DB , UniProt , Accession A0A087XL78, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 357 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
1M78.9Confident86.4Confident128 Ų12860.4 Ų60.463%0.63134%0.344SS*.  0124.70-174.2175.317900106.6T3 E93 Q94 L95M1-T3 PolarHBondContact O-N 3.11Å; M1-E93 HydrophobicContact CE-CB 3.56Å; M1-E93 HydrophobicContact CE-CG 4.33Å; M1-E93 WeakPolarHBondContact CE-O 3.5Å; M1-E93 WeakPolarHBondContact CE-OE2 3.44Å; M1-Q94 CarbonylContact C-O 3.59Å; M1-Q94 WeakPolarHBondContact CA-O 3.3Å; M1-L95 HydrophobicContact CB-CD2 3.88Å
2V85Confident86.4Confident2 Ų262.8 Ų62.81%0.01236%0.355CS..BIsolated β-bridgetrans-81.2109-173.5-177.50000108.6L13 C59 V90 F92 E93 Q94 V96V2-L13 HydrophobicContact CG1-CD1 4.14Å; V2-L13 HydrophobicContact CG2-CD1 4.22Å; V2-L13 HydrophobicContact CG2-CD2 4.22Å; V2-C59 HydrophobicContact CG1-CB 3.64Å; V2-V90 HydrophobicContact CB-CG1 4.1Å; V2-V90 HydrophobicContact CG2-CB 4.38Å; V2-V90 HydrophobicContact CG2-CG1 3.94Å; V2-F92 CarbonylContact O-C 3.53Å; V2-F92 WeakPolarHBondContact O-CA 3.45Å; V2-E93 PolarHBondContact O-N 3.39Å; V2-Q94 PolarHBondContact N-O 3.32Å; V2-V96 HydrophobicContact CG2-CB 4.26Å; V2-V96 HydrophobicContact CG2-CG1 3.79Å
3T88.5Confident86.5Confident43 Ų4358.5 Ų58.526%0.26433%0.331SS..  trans-100164.817665.20000109.9M1 Q5 S6 C7M1-T3 PolarHBondContact O-N 3.11Å; T3-Q5 PolarHBondContact O-N 2.81Å; T3-Q5 PolarHBondContact OG1-N 3.2Å; T3-S6 PolarHBondContact N-OG 3.49Å; T3-S6 PolarHBondContact O-N 3.13Å; T3-S6 PolarHBondContact O-OG 3.1Å; T3-S6 WeakPolarHBondContact OG1-CB 3.31Å; T3-S6 PolarHBondContact OG1-N 3.2Å; T3-S6 PolarHBondContact OG1-OG 2.92Å; T3-C7 PolarHBondContact O-N 2.92Å; T3-C7 VanDerWaalsContact O-N 3.08Å
4S86.3Confident86.7Confident58 Ų5855.6 Ų55.641%0.40632%0.315SS..THydrogen-bonded Turntrans-55.7-35.8172.7-173.50000111.7K54S4-K54 WeakPolarHBondContact O-CD 3.46Å; S4-K54 WeakPolarHBondContact O-CE 3.09Å; S4-K54 PolarHBondContact O-NZ 3.16Å
5Q86.6Confident86.8Confident130 Ų13052.1 Ų52.161%0.60730%0.296SS*.THydrogen-bonded Turntrans-75.7-44.2178.7-172.563.52.800112.4T3 C7 T9T3-Q5 PolarHBondContact O-N 2.81Å; T3-Q5 PolarHBondContact OG1-N 3.2Å; Q5-C7 VanDerWaalsContact C-N 3.28Å; Q5-C7 PolarHBondContact O-N 3.08Å; Q5-T9 PolarHBondContact O-OG1 2.8Å
6S88Confident86.7Confident17 Ų1754.3 Ų54.312%0.11931%0.305CS..G310 helixtrans-67.6-27.9-176.273.70000112.7T3 T8 T9 D10T3-S6 PolarHBondContact N-OG 3.49Å; T3-S6 PolarHBondContact O-N 3.13Å; T3-S6 PolarHBondContact O-OG 3.1Å; T3-S6 WeakPolarHBondContact OG1-CB 3.31Å; T3-S6 PolarHBondContact OG1-N 3.2Å; T3-S6 PolarHBondContact OG1-OG 2.92Å; S6-T8 PolarHBondContact O-N 3.21Å; S6-T9 WeakPolarHBondContact CA-OG1 3.16Å; S6-T9 PolarHBondContact O-N 3.04Å; S6-D10 WeakPolarHBondContact O-CB 3.45Å; S6-D10 PolarHBondContact O-N 3.15Å
7C87.8Confident86.8Confident0 Ų054.2 Ų54.20%031%0.309CS..G310 helixtrans-47.5-38.8-178.6179.60000115.2T3 Q5 P52 K54 C59 F92T3-C7 PolarHBondContact O-N 2.92Å; T3-C7 VanDerWaalsContact O-N 3.08Å; Q5-C7 VanDerWaalsContact C-N 3.28Å; Q5-C7 PolarHBondContact O-N 3.08Å; C7-P52 VanDerWaalsContact O-CB 3.32Å; C7-P52 WeakPolarHBondContact O-CB 3.4Å; C7-P52 WeakPolarHBondContact O-CG 3.07Å; C7-K54 HydrophobicContact CB-CD 4.46Å; C7-K54 HydrophobicContact CB-CG 3.83Å; C7-C59 WeakPolarHBondContact CA-SG 3.44Å; C7-C59 HydrophobicContact CB-CB 3.75Å; C7-C59 WeakPolarHBondContact CB-SG 3.35Å; C7-C59 WeakPolarHBondContact SG-CA 3.49Å; C7-C59 WeakPolarHBondContact SG-CB 3.39Å; C7-C59 CovalentContact SG-SG 2.03Å; C7-C59 PolarHBondContact SG-SG 2.94Å; C7-F92 HydrophobicContact CB-CE1 4.4Å
8T86.1Confident86.8Confident79 Ų7953.1 Ų53.149%0.48530%0.3SS..G310 helixtrans-111.4-2.7-179.657.90000113.9S6 K54S6-T8 PolarHBondContact O-N 3.21Å; T8-K54 HydrophobicContact CG2-CD 4.29Å; T8-K54 VanDerWaalsContact CG2-CE 3.4Å; T8-K54 HydrophobicContact CG2-CG 4.09Å; T8-K54 WeakPolarHBondContact OG1-CE 3.47Å; T8-K54 PolarHBondContact OG1-NZ 3.48Å
9T87.8Confident86.8Confident84 Ų8452.5 Ų52.552%0.51529%0.292SS..THydrogen-bonded Turntrans-116-21.6-173.255.60000112.9Q5 S6 P11Q5-T9 PolarHBondContact O-OG1 2.8Å; S6-T9 WeakPolarHBondContact CA-OG1 3.16Å; S6-T9 PolarHBondContact O-N 3.04Å; T9-P11 WeakPolarHBondContact O-CD 3.05Å
10D89.1Confident86.6Confident51 Ų5157.7 Ų57.727%0.27331%0.312SS..  trans-81.2115.6179.2-169.9-21.3000109.8S6 D12 L13S6-D10 WeakPolarHBondContact O-CB 3.45Å; S6-D10 PolarHBondContact O-N 3.15Å; D10-D12 PolarHBondContact O-N 3.35Å; D10-D12 WeakPolarHBondContact OD1-CB 3.44Å; D10-D12 PolarHBondContact OD1-N 3.19Å; D10-L13 HydrophobicContact CB-CB 4.5Å; D10-L13 HydrophobicContact CB-CD1 3.85Å; D10-L13 HydrophobicContact CB-CG 3.86Å; D10-L13 PolarHBondContact O-N 2.84Å
11P86.7Confident86.6Confident72 Ų7262.2 Ų62.247%0.46834%0.336SS..G310 helixtrans-64-28.4-178.227.3-34.6000112.3T9 L13 S14 S17T9-P11 WeakPolarHBondContact O-CD 3.05Å; P11-L13 PolarHBondContact O-N 2.91Å; P11-S14 PolarHBondContact O-N 3.35Å; P11-S14 VanDerWaalsContact O-N 3.11Å; P11-S17 WeakPolarHBondContact CA-OG 3.37Å; P11-S17 WeakPolarHBondContact CB-OG 2.96Å; P11-S17 WeakPolarHBondContact O-CB 3.3Å; P11-S17 PolarHBondContact O-OG 2.03Å
12D86.1Confident87Confident90 Ų9059.3 Ų59.348%0.48132%0.322SS..G310 helixtrans-70-20.9-176.9-64.3-14.9000111.7D10 Y18 Q98D10-D12 PolarHBondContact O-N 3.35Å; D10-D12 WeakPolarHBondContact OD1-CB 3.44Å; D10-D12 PolarHBondContact OD1-N 3.19Å; D12-Y18 WeakPolarHBondContact O-CE2 3.34Å; D12-Y18 PolarHBondContact O-OH 3.24Å; D12-Q98 PolarHBondContact O-NE2 3.41Å
13L87.9Confident87.1Confident7 Ų761.6 Ų61.64%0.03734%0.338CS..G310 helixtrans-86.6-13.7177.1-53.5-176.6000112.8V2 D10 P11 V62 V63 V96V2-L13 HydrophobicContact CG1-CD1 4.14Å; V2-L13 HydrophobicContact CG2-CD1 4.22Å; V2-L13 HydrophobicContact CG2-CD2 4.22Å; D10-L13 HydrophobicContact CB-CB 4.5Å; D10-L13 HydrophobicContact CB-CD1 3.85Å; D10-L13 HydrophobicContact CB-CG 3.86Å; D10-L13 PolarHBondContact O-N 2.84Å; P11-L13 PolarHBondContact O-N 2.91Å; L13-V62 HydrophobicContact CB-CG1 4.17Å; L13-V62 HydrophobicContact CD2-CG1 3.67Å; L13-V62 HydrophobicContact CG-CG1 4.4Å; L13-V63 PolarHBondContact O-N 2.58Å; L13-V96 HydrophobicContact CD2-CG1 3.99Å
14S88.6Confident87.1Confident17 Ų1761.4 Ų61.412%0.11934%0.335CS..  trans-103.2129.8-175-172.30000112.1P11 I16 S17 Y18P11-S14 PolarHBondContact O-N 3.35Å; P11-S14 VanDerWaalsContact O-N 3.11Å; S14-I16 VanDerWaalsContact C-N 3.3Å; S14-I16 PolarHBondContact O-N 3.03Å; S14-S17 PolarHBondContact O-N 2.95Å; S14-Y18 VanDerWaalsContact O-CD2 3.23Å; S14-Y18 WeakPolarHBondContact O-CD2 3.43Å; S14-Y18 WeakPolarHBondContact O-CE2 3.49Å
15S87.9Confident87.1Confident3 Ų362 Ų622%0.02133%0.333CS..G310 helixtrans-59.7-37.2178.654.70000112.9S17 Y18 Y19 F85S15-S17 VanDerWaalsContact C-N 3.27Å; S15-S17 PolarHBondContact O-N 2.83Å; S15-Y18 PolarHBondContact O-N 2.95Å; S15-Y19 VanDerWaalsContact O-CD1 3.26Å; S15-Y19 WeakPolarHBondContact O-CD1 3.3Å; S15-Y19 VanDerWaalsContact O-CE1 3.24Å; S15-Y19 WeakPolarHBondContact O-CE1 3.42Å; S15-F85 VanDerWaalsContact O-CZ 3.24Å; S15-F85 WeakPolarHBondContact O-CZ 3.28Å
16I85.5Confident86.7Confident88 Ų8856.2 Ų56.245%0.45131%0.307SS..G310 helixtrans-63.9-32.4-175.9-156.3165.6000112.7S14 Y18 Y19 F20S14-I16 VanDerWaalsContact C-N 3.3Å; S14-I16 PolarHBondContact O-N 3.03Å; I16-Y18 PolarHBondContact O-N 2.91Å; I16-Y19 HydrophobicContact CG1-CE2 4.41Å; I16-Y19 PolarHBondContact O-N 2.01Å; I16-F20 VanDerWaalsContact O-CB 3.3Å; I16-F20 WeakPolarHBondContact O-CB 3.15Å; I16-F20 PolarHBondContact O-N 3.27Å
17S88.8Confident86.1Confident53 Ų5358.4 Ų58.437%0.37132%0.32SS..G310 helixtrans-63.2-28.2-177.7-50.70000112.8P11 S14 S15P11-S17 WeakPolarHBondContact CA-OG 3.37Å; P11-S17 WeakPolarHBondContact CB-OG 2.96Å; P11-S17 WeakPolarHBondContact O-CB 3.3Å; P11-S17 PolarHBondContact O-OG 2.03Å; S14-S17 PolarHBondContact O-N 2.95Å; S15-S17 VanDerWaalsContact C-N 3.27Å; S15-S17 PolarHBondContact O-N 2.83Å
18Y86.2Confident84.8Confident34 Ų3464.3 Ų64.313%0.13336%0.358CS..G310 helixtrans-79.9-15-174.5-72.2-87.8000114.2D12 S14 S15 I16 M22 V63 V66 F85 Q98 H100D12-Y18 WeakPolarHBondContact O-CE2 3.34Å; D12-Y18 PolarHBondContact O-OH 3.24Å; S14-Y18 VanDerWaalsContact O-CD2 3.23Å; S14-Y18 WeakPolarHBondContact O-CD2 3.43Å; S14-Y18 WeakPolarHBondContact O-CE2 3.49Å; S15-Y18 PolarHBondContact O-N 2.95Å; I16-Y18 PolarHBondContact O-N 2.91Å; Y18-M22 VanDerWaalsContact O-SD 3.34Å; Y18-V63 HydrophobicContact CE2-CB 4.28Å; Y18-V63 HydrophobicContact CE2-CG1 4.02Å; Y18-V63 HydrophobicContact CE2-CG2 4.14Å; Y18-V66 HydrophobicContact CD1-CG1 4.11Å; Y18-V66 HydrophobicContact CD1-CG2 3.98Å; Y18-V66 HydrophobicContact CE1-CG2 3.78Å; Y18-V66 HydrophobicContact CE2-CG2 4.35Å; Y18-V66 HydrophobicContact CG-CG1 4.46Å; Y18-V66 HydrophobicContact CG-CG2 4.35Å; Y18-F85 AromaticContact CD2-CE1 3.82Å; Y18-F85 HydrophobicContact CD2-CE1 3.82Å; Y18-F85 HydrophobicContact CD2-CZ 4.4Å; Y18-F85 AromaticContact CG-CE1 3.89Å; Y18-F85 HydrophobicContact CG-CE1 3.89Å; Y18-F85 HydrophobicContact CG-CZ 4.32Å; Y18-Q98 PolarHBondContact OH-OE1 2.94Å; Y18-H100 AromaticContact CE1-NE2 3.36Å; Y18-H100 WeakPolarHBondContact CE1-NE2 3.4Å; Y18-H100 AromaticContact CZ-NE2 3.97Å
19Y86.5Confident83.5Confident42 Ų4263 Ų6317%0.16535%0.35CS..THydrogen-bonded Turntrans-131.9-4.9179.965.2-91.9000114.2S15 I16 N21 M22 P45 I83 F85S15-Y19 VanDerWaalsContact O-CD1 3.26Å; S15-Y19 WeakPolarHBondContact O-CD1 3.3Å; S15-Y19 VanDerWaalsContact O-CE1 3.24Å; S15-Y19 WeakPolarHBondContact O-CE1 3.42Å; I16-Y19 HydrophobicContact CG1-CE2 4.41Å; I16-Y19 PolarHBondContact O-N 2.01Å; Y19-N21 PolarHBondContact O-N 3.14Å; Y19-M22 PolarHBondContact O-N 3.43Å; Y19-M22 VanDerWaalsContact O-N 3.13Å; Y19-P45 HydrophobicContact CD1-CB 4.38Å; Y19-P45 HydrophobicContact CD2-CB 4.49Å; Y19-P45 HydrophobicContact CD2-CG 4.06Å; Y19-P45 HydrophobicContact CE1-CB 4.1Å; Y19-P45 HydrophobicContact CE1-CG 4.38Å; Y19-P45 HydrophobicContact CE2-CB 4.24Å; Y19-P45 HydrophobicContact CE2-CG 3.65Å; Y19-I83 HydrophobicContact CD1-CG2 4.04Å; Y19-I83 HydrophobicContact CG-CG2 4.16Å; Y19-F85 AromaticContact CD1-CE2 3.94Å; Y19-F85 HydrophobicContact CD1-CE2 3.94Å; Y19-F85 AromaticContact CD1-CZ 3.96Å; Y19-F85 HydrophobicContact CD1-CZ 3.96Å; Y19-F85 HydrophobicContact CE1-CE2 4.04Å; Y19-F85 HydrophobicContact CE1-CZ 4.35Å
20F84.4Confident81.8Confident155 Ų15564.3 Ų64.368%0.6836%0.358SS*.THydrogen-bonded Turntrans-58.7114.7177.4-173.9-99000110.9I16 M22I16-F20 VanDerWaalsContact O-CB 3.3Å; I16-F20 WeakPolarHBondContact O-CB 3.15Å; I16-F20 PolarHBondContact O-N 3.27Å; F20-M22 PolarHBondContact O-N 3.08Å
21N85.3Confident80.2Confident153 Ų15370 Ų7082%0.81839%0.389SS*.THydrogen-bonded Turntrans57.225.9-179-155.530.8000114.5Y19Y19-N21 PolarHBondContact O-N 3.14Å
22M87.4Confident78.6Confident67 Ų6776.3 Ų76.333%0.3341%0.409SS..  trans-87.1133.6177.9-170.6177.9-176.400110.9Y18 Y19 F20 L24 V43 F68Y18-M22 VanDerWaalsContact O-SD 3.34Å; Y19-M22 PolarHBondContact O-N 3.43Å; Y19-M22 VanDerWaalsContact O-N 3.13Å; F20-M22 PolarHBondContact O-N 3.08Å; M22-L24 HydrophobicContact CE-CD2 4.22Å; M22-V43 HydrophobicContact CB-CB 4.29Å; M22-V43 HydrophobicContact CB-CG2 4.26Å; M22-V43 HydrophobicContact CG-CB 4.38Å; M22-V43 HydrophobicContact CG-CG2 3.85Å; M22-V43 PolarHBondContact O-N 2.92Å; M22-V43 HydrophobicContact SD-CB 4.5Å; M22-V43 HydrophobicContact SD-CG2 4.04Å; M22-F68 HydrophobicContact CE-CE1 3.79Å; M22-F68 HydrophobicContact CE-CZ 4.05Å; M22-F68 HydrophobicContact SD-CE1 3.68Å; M22-F68 HydrophobicContact SD-CZ 4.03Å
23S88.6Confident77.2Confident51 Ų5176 Ų7636%0.35741%0.406SS..EExtended strand (participates in β ladder)trans-142.1145.1173.7-610000111V41S23-V41 CarbonylContact C-O 3.56Å; S23-V41 VanDerWaalsContact CA-O 3.27Å; S23-V41 WeakPolarHBondContact CA-O 3.23Å
24L87.8Confident75.9Confident38 Ų3884.6 Ų84.620%0.19944%0.443CS..EExtended strand (participates in β ladder)trans-97.7152.3174.7-54.4-175.3000110.3M22 L40 V41 V43 V70 L78 A81M22-L24 HydrophobicContact CE-CD2 4.22Å; L24-L40 CarbonylContact O-C 3.57Å; L24-L40 WeakPolarHBondContact O-CA 3.14Å; L24-V41 PolarHBondContact N-O 2.84Å; L24-V41 PolarHBondContact O-N 2.97Å; L24-V43 HydrophobicContact CD2-CG2 4.39Å; L24-V43 HydrophobicContact CG-CG2 4.08Å; L24-V70 HydrophobicContact CD1-CG1 4.31Å; L24-V70 HydrophobicContact CD1-CG2 3.98Å; L24-L78 HydrophobicContact CB-CD1 4.03Å; L24-L78 HydrophobicContact CD1-CD1 4.16Å; L24-A81 HydrophobicContact CD1-CB 3.63Å; L24-A81 HydrophobicContact CG-CB 4.24Å
25I85.2Confident74.7Confident72 Ų7288.5 Ų88.537%0.36946%0.462SS..EExtended strand (participates in β ladder)trans-85.4123.4176-56.5173.7000108.8V27 I35 L39 L40I25-V27 VanDerWaalsContact C-N 3.32Å; I25-V27 VanDerWaalsContact CG2-O 3.3Å; I25-V27 WeakPolarHBondContact CG2-O 3.38Å; I25-V27 PolarHBondContact O-N 3.27Å; I25-I35 HydrophobicContact CD1-CD1 3.96Å; I25-L39 CarbonylContact C-O 3.54Å; I25-L39 WeakPolarHBondContact CA-O 3.49Å; I25-L40 HydrophobicContact CG1-CD2 4.31Å
26A79.7Confident73.6Confident8 Ų895.6 Ų95.67%0.06649%0.488CS..SBendtrans-62.5-33.8-172.400000114L39 V41 L78A26-L39 WeakPolarHBondContact CB-O 3.29Å; A26-L39 PolarHBondContact N-O 2.81Å; A26-V41 HydrophobicContact CB-CG2 3.95Å; A26-L78 PolarHBondContact O-N 3.41Å
27V74.1Confident72.7Confident62 Ų6296.5 Ų96.538%0.37650%0.502SS..SBendtrans-140.2132.8-179.3-174.60000109.2I25 T29 E77I25-V27 VanDerWaalsContact C-N 3.32Å; I25-V27 VanDerWaalsContact CG2-O 3.3Å; I25-V27 WeakPolarHBondContact CG2-O 3.38Å; I25-V27 PolarHBondContact O-N 3.27Å; V27-T29 PolarHBondContact O-N 3.33Å; V27-T29 VanDerWaalsContact O-N 3.16Å; V27-E77 HydrophobicContact CG2-CB 4.45Å; V27-E77 HydrophobicContact CG2-CG 3.96Å
28P60.1Low71.8Confident124 Ų12499.4 Ų99.481%0.80551%0.513SS*.  trans-57.3121.3173.6-2030.5000110
29T58.7Low71.4Confident52 Ų5299.4 Ų99.432%0.31952%0.516SS..  trans-110.2146.7178.642.90000109.8V27V27-T29 PolarHBondContact O-N 3.33Å; V27-T29 VanDerWaalsContact O-N 3.16Å
30T54.1Low71.2Confident112 Ų112100.7 Ų100.769%0.68753%0.525SS*.  trans-75146.8171.643.60000109.6K32 I33T30-K32 PolarHBondContact O-N 3.2Å; T30-I33 PolarHBondContact O-N 3.24Å
31D54.7Low71.4Confident171 Ų17194 Ų9491%0.91450%0.496SS*.THydrogen-bonded Turntrans-53.22.9-165.9-63.9-37000118.2
32K53.3Low71.6Confident204 Ų20490 Ų9089%0.88748%0.479SS*.THydrogen-bonded Turntrans-108.35.2-174.9-62.2-171.1-179.7-178.70114.9T30T30-K32 PolarHBondContact O-N 3.2Å
33I57.1Low71.7Confident83 Ų8387.2 Ų87.243%0.42647%0.466SS..SBendtrans-110123.2-177.9-57.7176.1000109.6T30 I35T30-I33 PolarHBondContact O-N 3.24Å; I33-I35 PolarHBondContact O-N 3.17Å; I33-I35 VanDerWaalsContact O-N 3.1Å
34K60.1Low71.6Confident187 Ų18789.7 Ų89.781%0.81347%0.474SS*.  trans-55.5117.3169.6-77.2-179.2176.5-179.60108.6R36K34-R36 PolarHBondContact O-N 3Å
35I63.3Low71.6Confident99 Ų9989.4 Ų89.451%0.50847%0.474SS..  trans-58.1113.6174.1-58173.8000107I25 I33 L40I25-I35 HydrophobicContact CD1-CD1 3.96Å; I33-I35 PolarHBondContact O-N 3.17Å; I33-I35 VanDerWaalsContact O-N 3.1Å; I35-L40 HydrophobicContact CG2-CD2 3.9Å; I35-L40 HydrophobicContact CG2-CG 4.33Å
36R65.8Low71.5Confident153 Ų15390.2 Ų90.258%0.57748%0.479SS*.  trans-93.2149.2177.4-70.6-177.6-100.3172-7.2108.8K34 D38 L39K34-R36 PolarHBondContact O-N 3Å; R36-D38 WeakPolarHBondContact CB-OD1 3.31Å; R36-D38 PolarHBondContact O-N 3.44Å; R36-D38 VanDerWaalsContact O-N 3.13Å; R36-L39 WeakPolarHBondContact O-CB 3.3Å; R36-L39 PolarHBondContact O-N 2.79Å
37S65.5Low71.6Confident106 Ų10692.8 Ų92.874%0.74150%0.497SS*.G310 helixtrans-62.9-19.4-175.3-45.30000113.9L39 L40S37-L39 PolarHBondContact O-N 3.11Å; S37-L40 PolarHBondContact O-N 2.79Å
38D70.3Confident71.8Confident114 Ų11497.5 Ų97.561%0.6152%0.52SS*.G310 helixtrans-72.9-12.5173.762.1-32000113.6R36R36-D38 WeakPolarHBondContact CB-OD1 3.31Å; R36-D38 PolarHBondContact O-N 3.44Å; R36-D38 VanDerWaalsContact O-N 3.13Å
39L76.8Confident72.8Confident35 Ų3595.1 Ų95.118%0.18350%0.495CS..G310 helixtrans-98.44.9176.2-61.7172.9000112.8I25 A26 R36 S37I25-L39 CarbonylContact C-O 3.54Å; I25-L39 WeakPolarHBondContact CA-O 3.49Å; A26-L39 WeakPolarHBondContact CB-O 3.29Å; A26-L39 PolarHBondContact N-O 2.81Å; R36-L39 WeakPolarHBondContact O-CB 3.3Å; R36-L39 PolarHBondContact O-N 2.79Å; S37-L39 PolarHBondContact O-N 3.11Å
40L84.1Confident74Confident69 Ų6995.3 Ų95.336%0.36150%0.497SS..EExtended strand (participates in β ladder)trans-102.1124.8-179-64.2179.4000110.6L24 I25 I35 S37L24-L40 CarbonylContact O-C 3.57Å; L24-L40 WeakPolarHBondContact O-CA 3.14Å; I25-L40 HydrophobicContact CG1-CD2 4.31Å; I35-L40 HydrophobicContact CG2-CD2 3.9Å; I35-L40 HydrophobicContact CG2-CG 4.33Å; S37-L40 PolarHBondContact O-N 2.79Å
41V86.9Confident75.5Confident13 Ų1393 Ų938%0.07949%0.489CS..EExtended strand (participates in β ladder)trans-101109.2173.6-179.20000107.8S23 L24 A26 L78 R79 A81S23-V41 CarbonylContact C-O 3.56Å; S23-V41 VanDerWaalsContact CA-O 3.27Å; S23-V41 WeakPolarHBondContact CA-O 3.23Å; L24-V41 PolarHBondContact N-O 2.84Å; L24-V41 PolarHBondContact O-N 2.97Å; A26-V41 HydrophobicContact CB-CG2 3.95Å; V41-L78 HydrophobicContact CG2-CB 4.36Å; V41-R79 WeakPolarHBondContact CG1-O 3.37Å; V41-A81 HydrophobicContact CG1-CB 4.2Å
42P89.5Confident77.2Confident71 Ų7185.4 Ų85.446%0.46145%0.449SS..EExtended strand (participates in β ladder)trans-66.6144179.828.2-34.3000110.9
43V89.9Confident78.9Confident8 Ų879.3 Ų79.35%0.04843%0.429CS..EExtended strand (participates in β ladder)trans-87.2118.5173.1-178.30000108.8M22 L24 F68 A81 I83M22-V43 HydrophobicContact CB-CB 4.29Å; M22-V43 HydrophobicContact CB-CG2 4.26Å; M22-V43 HydrophobicContact CG-CB 4.38Å; M22-V43 HydrophobicContact CG-CG2 3.85Å; M22-V43 PolarHBondContact O-N 2.92Å; M22-V43 HydrophobicContact SD-CB 4.5Å; M22-V43 HydrophobicContact SD-CG2 4.04Å; L24-V43 HydrophobicContact CD2-CG2 4.39Å; L24-V43 HydrophobicContact CG-CG2 4.08Å; V43-F68 HydrophobicContact CG1-CD1 4.28Å; V43-F68 HydrophobicContact CG1-CE1 4.17Å; V43-A81 HydrophobicContact CG2-CB 4Å; V43-I83 HydrophobicContact CG1-CB 3.9Å; V43-I83 HydrophobicContact CG1-CG2 4.02Å
44I87.6Confident80.6Confident102 Ų10278.8 Ų78.852%0.52342%0.424SS..EExtended strand (participates in β ladder)trans-110.2129-174.9-54.8174.6000109.8A81 S82 I83I44-A81 PolarHBondContact N-O 2.85Å; I44-S82 WeakPolarHBondContact O-CA 3.38Å; I44-S82 WeakPolarHBondContact O-CB 3.3Å; I44-I83 PolarHBondContact O-N 2.86Å; I44-I83 VanDerWaalsContact O-N 3.11Å
45P86.9Confident82Confident32 Ų3274.8 Ų74.821%0.20841%0.408CS..EExtended strand (participates in β ladder)trans-66.8140.7175.930.7-36.7000111.2Y19 S47 I83Y19-P45 HydrophobicContact CD1-CB 4.38Å; Y19-P45 HydrophobicContact CD2-CB 4.49Å; Y19-P45 HydrophobicContact CD2-CG 4.06Å; Y19-P45 HydrophobicContact CE1-CB 4.1Å; Y19-P45 HydrophobicContact CE1-CG 4.38Å; Y19-P45 HydrophobicContact CE2-CB 4.24Å; Y19-P45 HydrophobicContact CE2-CG 3.65Å; P45-S47 PolarHBondContact O-N 3.27Å; P45-I83 HydrophobicContact CB-CG2 4.07Å
46L82.9Confident83.1Confident89 Ų8977.1 Ų77.147%0.46642%0.421SS..SBendtrans-72.3-17.7177.4-72.2-171.4000113.8L69 I83 N84L46-L69 HydrophobicContact CD1-CD1 3.53Å; L46-L69 HydrophobicContact CG-CD1 4.28Å; L46-I83 PolarHBondContact N-O 3.35Å; L46-N84 HydrophobicContact CD1-CB 4.09Å
47S81.6Confident84.1Confident63 Ų6371.7 Ų71.744%0.44141%0.413SS..SBendtrans-155.5159.6-177.9-65.70000109.6P45 W49P45-S47 PolarHBondContact O-N 3.27Å; S47-W49 PolarHBondContact O-N 2.93Å; S47-W49 PolarHBondContact O-NE1 3.36Å
48D77.9Confident85.4Confident160 Ų16070.9 Ų70.986%0.85640%0.396SS*.  trans-79.7108.8171.7-66.6-36.5000108.9
49W81.6Confident86.4Confident74 Ų7465.4 Ų65.428%0.2837%0.367SS..PPolyproline II helixtrans-94.9138.7-177.9-6695000111.2S47 N84 F85 L87S47-W49 PolarHBondContact O-N 2.93Å; S47-W49 PolarHBondContact O-NE1 3.36Å; W49-N84 VanDerWaalsContact CZ2-OD1 3.25Å; W49-N84 WeakPolarHBondContact CZ2-OD1 3.41Å; W49-F85 AromaticContact CD1-CD2 3.47Å; W49-F85 VanDerWaalsContact CD1-CD2 3.47Å; W49-F85 HydrophobicContact CD2-CB 4.09Å; W49-F85 HydrophobicContact CD2-CD2 4.42Å; W49-F85 HydrophobicContact CG-CB 4.39Å; W49-F85 AromaticContact CG-CD2 3.96Å; W49-F85 HydrophobicContact CG-CD2 3.96Å; W49-F85 VanDerWaalsContact CH2-O 3.27Å; W49-F85 WeakPolarHBondContact CH2-O 3.4Å; W49-F85 HydrophobicContact CZ2-CB 4.49Å; W49-F85 WeakPolarHBondContact CZ2-O 3.4Å; W49-F85 AromaticContact NE1-CD2 3.65Å; W49-L87 HydrophobicContact CE3-CD1 3.8Å; W49-L87 HydrophobicContact CE3-CG 3.96Å; W49-L87 HydrophobicContact CZ3-CG 4.37Å
50P84.3Confident87.1Confident57 Ų5765.4 Ų65.437%0.3737%0.367SS..PPolyproline II helixtrans-65.3152.1177.727.1-33.8000111.7D61 L87P50-D61 HydrophobicContact CB-CB 4.35Å; P50-D61 HydrophobicContact CG-CB 4Å; P50-L87 HydrophobicContact CG-CD1 3.62Å
51A85.8Confident87.3Confident63 Ų6364.5 Ų64.552%0.52136%0.363SS..PPolyproline II helixtrans-81.6150.1170.800000109.9V53A51-V53 WeakPolarHBondContact O-CG2 3.4Å; A51-V53 PolarHBondContact O-N 2.94Å
52P89.8Confident87.5Confident12 Ų1263.9 Ų63.98%0.07836%0.359CS..PPolyproline II helixtrans-63.8135.8-178.624.8-34.1000112.1C7 L60C7-P52 VanDerWaalsContact O-CB 3.32Å; C7-P52 WeakPolarHBondContact O-CB 3.4Å; C7-P52 WeakPolarHBondContact O-CG 3.07Å; P52-L60 VanDerWaalsContact CA-O 3.25Å; P52-L60 WeakPolarHBondContact CA-O 3.24Å
53V90.6Very high87.6Confident75 Ų7560.5 Ų60.546%0.45534%0.337SS..EExtended strand (participates in β ladder)trans-125.2139.4-176.5-175.70000111.2A51 L60A51-V53 WeakPolarHBondContact O-CG2 3.4Å; A51-V53 PolarHBondContact O-N 2.94Å; V53-L60 PolarHBondContact N-O 3.12Å; V53-L60 PolarHBondContact O-N 2.65Å
54K91.8Very high87.6Confident73 Ų7364.9 Ų64.932%0.31736%0.355SS..EExtended strand (participates in β ladder)trans-82.8118.4174.2-57.6174.5-158.1-1680109.3S4 C7 T8 F92S4-K54 WeakPolarHBondContact O-CD 3.46Å; S4-K54 WeakPolarHBondContact O-CE 3.09Å; S4-K54 PolarHBondContact O-NZ 3.16Å; C7-K54 HydrophobicContact CB-CD 4.46Å; C7-K54 HydrophobicContact CB-CG 3.83Å; T8-K54 HydrophobicContact CG2-CD 4.29Å; T8-K54 VanDerWaalsContact CG2-CE 3.4Å; T8-K54 HydrophobicContact CG2-CG 4.09Å; T8-K54 WeakPolarHBondContact OG1-CE 3.47Å; T8-K54 PolarHBondContact OG1-NZ 3.48Å; K54-F92 HydrophobicContact CB-CZ 4.31Å; K54-F92 HydrophobicContact CG-CZ 4.46Å
55Q89.9Confident87.7Confident103 Ų10361.8 Ų61.848%0.48134%0.341SS..EExtended strand (participates in β ladder)trans-146.7130.5176.7-169.6170.82.400111.6G57 F58 L60Q55-G57 VanDerWaalsContact C-N 3.26Å; Q55-G57 PolarHBondContact O-N 2.91Å; Q55-F58 PolarHBondContact N-O 3.16Å; Q55-F58 WeakPolarHBondContact O-CA 3.46Å; Q55-F58 WeakPolarHBondContact O-CB 3.39Å; Q55-F58 PolarHBondContact O-N 3.48Å; Q55-L60 HydrophobicContact CB-CD1 3.83Å; Q55-L60 HydrophobicContact CB-CG 4.23Å; Q55-L60 HydrophobicContact CG-CD1 4.46Å
56N86.1Confident87.9Confident147 Ų14760.3 Ų60.379%0.78633%0.331SS*.THydrogen-bonded Turntrans50.134.1170.3-62.8-19.3000116.4F58N56-F58 WeakPolarHBondContact O-CD2 3.11Å
57G87.6Confident88.4Confident39 Ų3958.3 Ų58.340%0.40232%0.319SS..THydrogen-bonded Turntrans88.15.7-178.500000114.9Q55 F92Q55-G57 VanDerWaalsContact C-N 3.26Å; Q55-G57 PolarHBondContact O-N 2.91Å; G57-F92 VanDerWaalsContact C-CD2 3.44Å; G57-F92 VanDerWaalsContact C-CE2 3.44Å; G57-F92 VanDerWaalsContact CA-CE2 3.45Å; G57-F92 VanDerWaalsContact O-CD2 3.22Å; G57-F92 WeakPolarHBondContact O-CD2 3.31Å; G57-F92 WeakPolarHBondContact O-CG 3.42Å; G57-F92 PolarHBondContact O-N 3.43Å
58F91.6Very high88.9Confident89 Ų8956.8 Ų56.839%0.3931%0.305SS..EExtended strand (participates in β ladder)trans-119.1153.4177.7-65.6-106.2000110.7Q55 N56 L60 V90 P91 F92Q55-F58 PolarHBondContact N-O 3.16Å; Q55-F58 WeakPolarHBondContact O-CA 3.46Å; Q55-F58 WeakPolarHBondContact O-CB 3.39Å; Q55-F58 PolarHBondContact O-N 3.48Å; N56-F58 WeakPolarHBondContact O-CD2 3.11Å; F58-L60 HydrophobicContact CB-CD2 3.98Å; F58-V90 WeakPolarHBondContact CA-O 3.17Å; F58-P91 HydrophobicContact CD1-CB 4.19Å; F58-P91 HydrophobicContact CD1-CG 3.9Å; F58-P91 HydrophobicContact CE1-CB 4.08Å; F58-P91 HydrophobicContact CE1-CG 3.55Å; F58-P91 HydrophobicContact CZ-CG 4.34Å; F58-F92 VanDerWaalsContact C-CE1 3.48Å; F58-F92 WeakPolarHBondContact O-CZ 3Å
59C90.9Very high89.5Confident0 Ų049.8 Ų49.80%027%0.268CS..EExtended strand (participates in β ladder)trans-98.4111.7159.8-166.40000107.7V2 C7 V62 D89 V90 F92V2-C59 HydrophobicContact CG1-CB 3.64Å; C7-C59 WeakPolarHBondContact CA-SG 3.44Å; C7-C59 HydrophobicContact CB-CB 3.75Å; C7-C59 WeakPolarHBondContact CB-SG 3.35Å; C7-C59 WeakPolarHBondContact SG-CA 3.49Å; C7-C59 WeakPolarHBondContact SG-CB 3.39Å; C7-C59 CovalentContact SG-SG 2.03Å; C7-C59 PolarHBondContact SG-SG 2.94Å; C59-V62 HydrophobicContact CB-CG2 3.77Å; C59-V62 WeakPolarHBondContact SG-CG2 3.38Å; C59-D89 WeakPolarHBondContact O-CA 3.47Å; C59-V90 PolarHBondContact N-O 2.95Å; C59-V90 PolarHBondContact O-N 2.95Å; C59-F92 HydrophobicContact CB-CE1 4.1Å
60L91.2Very high90Very high35 Ų3546.6 Ų46.618%0.18326%0.256CS..EExtended strand (participates in β ladder)trans-85158.9177.5-52.6-176000110.2P52 V53 Q55 F58 V62 D89P52-L60 VanDerWaalsContact CA-O 3.25Å; P52-L60 WeakPolarHBondContact CA-O 3.24Å; V53-L60 PolarHBondContact N-O 3.12Å; V53-L60 PolarHBondContact O-N 2.65Å; Q55-L60 HydrophobicContact CB-CD1 3.83Å; Q55-L60 HydrophobicContact CB-CG 4.23Å; Q55-L60 HydrophobicContact CG-CD1 4.46Å; F58-L60 HydrophobicContact CB-CD2 3.98Å; L60-V62 VanDerWaalsContact C-N 3.28Å; L60-V62 PolarHBondContact O-N 2.94Å; L60-D89 VanDerWaalsContact CA-OD1 3.26Å; L60-D89 WeakPolarHBondContact CA-OD1 3.37Å; L60-D89 HydrophobicContact CD2-CB 3.77Å
61D89.4Confident90.1Very high50 Ų5047 Ų4727%0.26725%0.251SS..EExtended strand (participates in β ladder)trans60.732.3171.3-63.1-45.7000114.4P50 L87 D89P50-D61 HydrophobicContact CB-CB 4.35Å; P50-D61 HydrophobicContact CG-CB 4Å; D61-L87 HydrophobicContact CB-CD1 3.99Å; D61-D89 PolarHBondContact N-OD1 3.37Å
62V91.1Very high90.1Very high0 Ų047.8 Ų47.80%024%0.241CC..EExtended strand (participates in β ladder)trans-77.3134.3177.9177.70000110.5L13 C59 L60 K64 L87 T88 V90 V96L13-V62 HydrophobicContact CB-CG1 4.17Å; L13-V62 HydrophobicContact CD2-CG1 3.67Å; L13-V62 HydrophobicContact CG-CG1 4.4Å; C59-V62 HydrophobicContact CB-CG2 3.77Å; C59-V62 WeakPolarHBondContact SG-CG2 3.38Å; L60-V62 VanDerWaalsContact C-N 3.28Å; L60-V62 PolarHBondContact O-N 2.94Å; V62-K64 PolarHBondContact O-N 2.81Å; V62-L87 CarbonylContact O-C 3.57Å; V62-L87 VanDerWaalsContact O-CA 3.25Å; V62-L87 WeakPolarHBondContact O-CA 3.38Å; V62-T88 WeakPolarHBondContact CA-O 3.31Å; V62-T88 VanDerWaalsContact CB-O 3.31Å; V62-T88 WeakPolarHBondContact CB-O 3.27Å; V62-T88 PolarHBondContact N-O 3.13Å; V62-T88 PolarHBondContact O-N 3.05Å; V62-V90 HydrophobicContact CB-CG2 4.1Å; V62-V90 HydrophobicContact CG1-CG2 4.28Å; V62-V90 HydrophobicContact CG2-CG2 4.21Å; V62-V96 HydrophobicContact CG1-CG1 4.39Å; V62-V96 HydrophobicContact CG1-CG2 4.28Å
63V91.4Very high89.7Confident0 Ų048.3 Ų48.30%024%0.244CC..EExtended strand (participates in β ladder)trans-60.9121.2175.1175.90000110.9L13 Y18 V66 F85 L87 Q98L13-V63 PolarHBondContact O-N 2.58Å; Y18-V63 HydrophobicContact CE2-CB 4.28Å; Y18-V63 HydrophobicContact CE2-CG1 4.02Å; Y18-V63 HydrophobicContact CE2-CG2 4.14Å; V63-V66 HydrophobicContact CG1-CG2 3.46Å; V63-V66 VanDerWaalsContact CG1-CG2 3.46Å; V63-F85 HydrophobicContact CG1-CD1 4Å; V63-F85 HydrophobicContact CG2-CD1 4.19Å; V63-L87 HydrophobicContact CB-CD2 4.49Å; V63-L87 HydrophobicContact CG2-CD2 3.91Å; V63-Q98 WeakPolarHBondContact O-CG 3.28Å; V63-Q98 PolarHBondContact O-NE2 3.06Å
64K89.4Confident89Confident100 Ų10050 Ų5044%0.43526%0.257SS..EExtended strand (participates in β ladder)trans-107.1-41.4174.3-176.7178.2178.5176.80112.1V62 T86 T88 Q98 T99V62-K64 PolarHBondContact O-N 2.81Å; K64-T86 WeakPolarHBondContact CA-O 3.39Å; K64-T86 WeakPolarHBondContact CB-O 3.34Å; K64-T86 PolarHBondContact N-O 2.97Å; K64-T88 HydrophobicContact CB-CG2 3.79Å; K64-T88 HydrophobicContact CD-CG2 4.1Å; K64-T88 HydrophobicContact CG-CG2 4.29Å; K64-Q98 CarbonylContact O-C 3.58Å; K64-Q98 VanDerWaalsContact O-CA 3.28Å; K64-Q98 WeakPolarHBondContact O-CA 3.19Å; K64-T99 PolarHBondContact O-N 2.82Å
65T90.7Very high88.3Confident37 Ų3756 Ų5623%0.22728%0.283CS..EExtended strand (participates in β ladder)trans-130.3136.9179-49.60000109.7F85 T86 T99T65-F85 CarbonylContact O-C 3.45Å; T65-F85 VanDerWaalsContact O-CA 3.3Å; T65-F85 WeakPolarHBondContact O-CA 3.46Å; T65-T86 PolarHBondContact N-O 2.89Å; T65-T86 VanDerWaalsContact N-O 3.12Å; T65-T86 PolarHBondContact O-N 2.94Å; T65-T99 CarbonylContact C-O 3.51Å; T65-T99 VanDerWaalsContact CA-O 3.32Å; T65-T99 WeakPolarHBondContact CA-O 3.4Å
66V91.1Very high87.6Confident0 Ų053.1 Ų53.10%028%0.281CS..EExtended strand (participates in β ladder)trans-120.2123173.2-1740000108Y18 V63 F68 I83 F85 T99 H100 S101Y18-V66 HydrophobicContact CD1-CG1 4.11Å; Y18-V66 HydrophobicContact CD1-CG2 3.98Å; Y18-V66 HydrophobicContact CE1-CG2 3.78Å; Y18-V66 HydrophobicContact CE2-CG2 4.35Å; Y18-V66 HydrophobicContact CG-CG1 4.46Å; Y18-V66 HydrophobicContact CG-CG2 4.35Å; V63-V66 HydrophobicContact CG1-CG2 3.46Å; V63-V66 VanDerWaalsContact CG1-CG2 3.46Å; V66-F68 HydrophobicContact CG1-CD2 4.22Å; V66-F68 HydrophobicContact CG1-CE2 3.72Å; V66-F68 HydrophobicContact CG1-CZ 4.3Å; V66-I83 HydrophobicContact CG1-CD1 3.73Å; V66-I83 HydrophobicContact CG1-CG1 4.06Å; V66-F85 HydrophobicContact CB-CD1 4.46Å; V66-F85 HydrophobicContact CB-CE1 4.4Å; V66-F85 HydrophobicContact CG1-CD1 4.34Å; V66-F85 HydrophobicContact CG1-CE1 3.89Å; V66-F85 HydrophobicContact CG2-CD1 4Å; V66-F85 HydrophobicContact CG2-CE1 3.95Å; V66-T99 PolarHBondContact N-O 3.4Å; V66-H100 CarbonylContact O-C 3.57Å; V66-H100 WeakPolarHBondContact O-CA 3.32Å; V66-S101 PolarHBondContact O-N 2.97Å
67Q92.8Very high87.5Confident47 Ų4748.7 Ų48.722%0.2226%0.255CS..EExtended strand (participates in β ladder)trans-124.9112.6-178.1-177.7-176.538.400109.6I83 N84 S101 E103Q67-I83 CarbonylContact O-C 3.58Å; Q67-I83 WeakPolarHBondContact O-CA 3.1Å; Q67-N84 HydrophobicContact CB-CB 4.35Å; Q67-N84 PolarHBondContact N-O 3.08Å; Q67-N84 PolarHBondContact O-N 2.83Å; Q67-S101 WeakPolarHBondContact CA-O 3.12Å; Q67-E103 VanDerWaalsContact NE2-CD 3.31Å; Q67-E103 PolarHBondContact NE2-OE1 3.16Å
68F91.8Very high87.4Confident31 Ų3148.5 Ų48.514%0.13625%0.245CC..EExtended strand (participates in β ladder)trans-86.9134.5171.4-69.9-88.8000110.1M22 V43 V66 I83 S101 V102 E103M22-F68 HydrophobicContact CE-CE1 3.79Å; M22-F68 HydrophobicContact CE-CZ 4.05Å; M22-F68 HydrophobicContact SD-CE1 3.68Å; M22-F68 HydrophobicContact SD-CZ 4.03Å; V43-F68 HydrophobicContact CG1-CD1 4.28Å; V43-F68 HydrophobicContact CG1-CE1 4.17Å; V66-F68 HydrophobicContact CG1-CD2 4.22Å; V66-F68 HydrophobicContact CG1-CE2 3.72Å; V66-F68 HydrophobicContact CG1-CZ 4.3Å; F68-I83 HydrophobicContact CD1-CB 4.37Å; F68-I83 HydrophobicContact CD1-CD1 4.13Å; F68-I83 HydrophobicContact CD1-CG1 4.25Å; F68-I83 HydrophobicContact CE1-CB 4.46Å; F68-I83 HydrophobicContact CE1-CD1 3.53Å; F68-I83 HydrophobicContact CE1-CG1 4.16Å; F68-I83 HydrophobicContact CE2-CD1 4.18Å; F68-I83 HydrophobicContact CZ-CD1 3.55Å; F68-I83 HydrophobicContact CZ-CG1 4.43Å; F68-S101 PolarHBondContact N-O 3.01Å; F68-V102 HydrophobicContact CB-CB 4.39Å; F68-V102 HydrophobicContact CB-CG1 4.1Å; F68-V102 HydrophobicContact CB-CG2 4.17Å; F68-V102 HydrophobicContact CD2-CG2 4.32Å; F68-V102 CarbonylContact O-C 3.59Å; F68-V102 WeakPolarHBondContact O-CA 3.47Å; F68-E103 PolarHBondContact O-N 3.16Å
69L90.6Very high87.2Confident14 Ų1450.2 Ų50.27%0.07325%0.249CC..EExtended strand (participates in β ladder)trans-117.7104178.5-65.9147.9000107.4L46 Y71 A81 S82 N84 E103L46-L69 HydrophobicContact CD1-CD1 3.53Å; L46-L69 HydrophobicContact CG-CD1 4.28Å; L69-Y71 HydrophobicContact CB-CE2 3.97Å; L69-A81 CarbonylContact O-C 3.58Å; L69-A81 WeakPolarHBondContact O-CA 3.46Å; L69-S82 PolarHBondContact N-O 2.81Å; L69-S82 PolarHBondContact O-N 2.8Å; L69-N84 HydrophobicContact CD1-CB 4.3Å; L69-E103 HydrophobicContact CD2-CB 4.34Å
70V91.6Very high87Confident7 Ų754.6 Ų54.64%0.04227%0.272CS..EExtended strand (participates in β ladder)trans-106.6119.6-174.4-1790000109.4L24 L78 V102 E103 F104 H105L24-V70 HydrophobicContact CD1-CG1 4.31Å; L24-V70 HydrophobicContact CD1-CG2 3.98Å; V70-L78 HydrophobicContact CG1-CD1 4.18Å; V70-L78 HydrophobicContact CG1-CD2 3.64Å; V70-L78 HydrophobicContact CG1-CG 4.43Å; V70-V102 HydrophobicContact CG2-CG1 3.98Å; V70-E103 PolarHBondContact N-O 2.81Å; V70-F104 HydrophobicContact CB-CD1 3.75Å; V70-F104 HydrophobicContact CB-CE1 3.9Å; V70-F104 HydrophobicContact CG1-CD1 3.86Å; V70-F104 HydrophobicContact CG1-CE1 3.88Å; V70-F104 HydrophobicContact CG2-CE1 4.27Å; V70-F104 CarbonylContact O-C 3.58Å; V70-F104 WeakPolarHBondContact O-CA 3.48Å; V70-H105 PolarHBondContact O-N 3Å
71Y88.1Confident87Confident66 Ų6653.1 Ų53.126%0.25927%0.265SS..EExtended strand (participates in β ladder)trans-104126.2-177.3-65.7-88.2000110.9L69 R79 N80 H105 L107L69-Y71 HydrophobicContact CB-CE2 3.97Å; Y71-R79 PolarHBondContact O-N 2.84Å; Y71-N80 WeakPolarHBondContact CB-O 3.38Å; Y71-N80 HydrophobicContact CD2-CB 4.07Å; Y71-N80 HydrophobicContact CG-CB 4.38Å; Y71-N80 PolarHBondContact N-O 3Å; Y71-N80 PolarHBondContact O-N 2.82Å; Y71-H105 VanDerWaalsContact CA-O 3.27Å; Y71-H105 WeakPolarHBondContact CA-O 3.31Å; Y71-H105 HydrophobicContact CD1-CB 3.44Å; Y71-H105 VanDerWaalsContact CD1-CB 3.44Å; Y71-H105 HydrophobicContact CE1-CB 3.43Å; Y71-H105 VanDerWaalsContact CE1-CB 3.43Å; Y71-H105 AromaticContact CE1-CG 3.97Å; Y71-H105 HydrophobicContact CG-CB 4.3Å; Y71-L107 HydrophobicContact CD1-CD2 3.94Å; Y71-L107 HydrophobicContact CD1-CG 4.37Å; Y71-L107 HydrophobicContact CG-CD2 4.3Å
72Y84.8Confident87.1Confident78 Ų7851.6 Ų51.631%0.30626%0.258SS..EExtended strand (participates in β ladder)trans-130.8156.9-175.368.9-77.5000112.3E77 F104 H105 L106 L107Y72-E77 CarbonylContact C-O 3.5Å; Y72-E77 VanDerWaalsContact CA-O 3.29Å; Y72-E77 WeakPolarHBondContact CA-O 3.26Å; Y72-F104 HydrophobicContact CD1-CB 4.2Å; Y72-F104 HydrophobicContact CE1-CB 3.76Å; Y72-H105 VanDerWaalsContact CD1-O 3.27Å; Y72-H105 WeakPolarHBondContact CD1-O 3.44Å; Y72-H105 PolarHBondContact N-O 2.87Å; Y72-L106 HydrophobicContact CD2-CD1 4.08Å; Y72-L106 HydrophobicContact CE1-CB 4.48Å; Y72-L106 HydrophobicContact CE2-CD1 3.73Å; Y72-L107 PolarHBondContact O-N 3.32Å
73T81.6Confident87.1Confident24 Ų2451.6 Ų51.615%0.14726%0.258CS..  trans-84163.3174.7680000111.2K75 G76 E77 R79T73-K75 PolarHBondContact O-N 2.89Å; T73-K75 PolarHBondContact OG1-N 2.97Å; T73-G76 PolarHBondContact O-N 2.85Å; T73-E77 HydrophobicContact CG2-CB 4.41Å; T73-E77 PolarHBondContact N-O 3.34Å; T73-E77 WeakPolarHBondContact OG1-CB 3.36Å; T73-E77 PolarHBondContact OG1-N 2.79Å; T73-E77 PolarHBondContact OG1-O 2.87Å; T73-R79 HydrophobicContact CG2-CG 3.51Å
74P75Confident87.2Confident110 Ų11053.5 Ų53.571%0.71427%0.269SS*.THydrogen-bonded Turntrans-57-16.1172.8-25.333.4000115L106P74-L106 HydrophobicContact CB-CD1 4.44Å; P74-L106 HydrophobicContact CG-CD1 4.03Å
75K77.5Confident87.2Confident199 Ų19949 Ų4987%0.86525%0.249SC*.THydrogen-bonded Turntrans-89.50.7176-63.9-174.3178.4-178.40113.4T73T73-K75 PolarHBondContact O-N 2.89Å; T73-K75 PolarHBondContact OG1-N 2.97Å
76G76.5Confident87.2Confident43 Ų4350.7 Ų50.744%0.44326%0.259SS..SBendtrans83.56.7-178.900000115.1T73T73-G76 PolarHBondContact O-N 2.85Å
77E83.2Confident87.2Confident54 Ų5452.3 Ų52.325%0.25227%0.268SS..  trans-79.5127.9175.3-177.1-173.7177.900110.5V27 Y72 T73 R79V27-E77 HydrophobicContact CG2-CB 4.45Å; V27-E77 HydrophobicContact CG2-CG 3.96Å; Y72-E77 CarbonylContact C-O 3.5Å; Y72-E77 VanDerWaalsContact CA-O 3.29Å; Y72-E77 WeakPolarHBondContact CA-O 3.26Å; T73-E77 HydrophobicContact CG2-CB 4.41Å; T73-E77 PolarHBondContact N-O 3.34Å; T73-E77 WeakPolarHBondContact OG1-CB 3.36Å; T73-E77 PolarHBondContact OG1-N 2.79Å; T73-E77 PolarHBondContact OG1-O 2.87Å; E77-R79 IonicContact OE1-CZ 2.94Å; E77-R79 IonicContact OE1-NE 3.74Å; E77-R79 IonicContact OE1-NH1 2.93Å; E77-R79 PolarHBondContact OE1-NH1 2.02Å; E77-R79 IonicContact OE1-NH2 2.94Å; E77-R79 PolarHBondContact OE1-NH2 2.98Å; E77-R79 IonicContact OE2-CZ 2.7Å; E77-R79 VanDerWaalsContact OE2-CZ 3.28Å; E77-R79 IonicContact OE2-NE 3.28Å; E77-R79 IonicContact OE2-NH2 3.64Å; E77-R79 PolarHBondContact OE2-NH2 3.28Å
78L86.2Confident87.1Confident34 Ų3452 Ų5218%0.17827%0.27CS..EExtended strand (participates in β ladder)trans-74.2134.6174-50.8-174.2000109.8L24 A26 V41 V70L24-L78 HydrophobicContact CB-CD1 4.03Å; L24-L78 HydrophobicContact CD1-CD1 4.16Å; A26-L78 PolarHBondContact O-N 3.41Å; V41-L78 HydrophobicContact CG2-CB 4.36Å; V70-L78 HydrophobicContact CG1-CD1 4.18Å; V70-L78 HydrophobicContact CG1-CD2 3.64Å; V70-L78 HydrophobicContact CG1-CG 4.43Å
79R85.6Confident87.1Confident126 Ų12654.8 Ų54.848%0.47529%0.286SS..EExtended strand (participates in β ladder)trans-115.7-44.9-178.6-72.5-66.4-174.4-167.3-3.4112.4V41 Y71 T73 E77 L107V41-R79 WeakPolarHBondContact CG1-O 3.37Å; Y71-R79 PolarHBondContact O-N 2.84Å; T73-R79 HydrophobicContact CG2-CG 3.51Å; E77-R79 IonicContact OE1-CZ 2.94Å; E77-R79 IonicContact OE1-NE 3.74Å; E77-R79 IonicContact OE1-NH1 2.93Å; E77-R79 PolarHBondContact OE1-NH1 2.02Å; E77-R79 IonicContact OE1-NH2 2.94Å; E77-R79 PolarHBondContact OE1-NH2 2.98Å; E77-R79 IonicContact OE2-CZ 2.7Å; E77-R79 VanDerWaalsContact OE2-CZ 3.28Å; E77-R79 IonicContact OE2-NE 3.28Å; E77-R79 IonicContact OE2-NH2 3.64Å; E77-R79 PolarHBondContact OE2-NH2 3.28Å; R79-L107 HydrophobicContact CB-CD1 3.44Å; R79-L107 VanDerWaalsContact CB-CD1 3.44Å; R79-L107 HydrophobicContact CG-CD1 3.88Å
80N87.9Confident87.1Confident91 Ų9154.5 Ų54.549%0.48729%0.285SS..EExtended strand (participates in β ladder)trans-136.1147.7-178.9-62.845.2000109.2Y71Y71-N80 WeakPolarHBondContact CB-O 3.38Å; Y71-N80 HydrophobicContact CD2-CB 4.07Å; Y71-N80 HydrophobicContact CG-CB 4.38Å; Y71-N80 PolarHBondContact N-O 3Å; Y71-N80 PolarHBondContact O-N 2.82Å
81A90.7Very high87.1Confident4 Ų455.8 Ų55.83%0.03329%0.293CS..EExtended strand (participates in β ladder)trans-135.8131.4171.200000108.4L24 V41 V43 I44 L69L24-A81 HydrophobicContact CD1-CB 3.63Å; L24-A81 HydrophobicContact CG-CB 4.24Å; V41-A81 HydrophobicContact CG1-CB 4.2Å; V43-A81 HydrophobicContact CG2-CB 4Å; I44-A81 PolarHBondContact N-O 2.85Å; L69-A81 CarbonylContact O-C 3.58Å; L69-A81 WeakPolarHBondContact O-CA 3.46Å
82S91.6Very high87.2Confident19 Ų1955.1 Ų55.113%0.13329%0.292CS..EExtended strand (participates in β ladder)trans-129158.7176.7-58.10000110.8I44 L69I44-S82 WeakPolarHBondContact O-CA 3.38Å; I44-S82 WeakPolarHBondContact O-CB 3.3Å; L69-S82 PolarHBondContact N-O 2.81Å; L69-S82 PolarHBondContact O-N 2.8Å
83I91.3Very high87.4Confident0 Ų056.6 Ų56.60%030%0.301CS..EExtended strand (participates in β ladder)trans-129141.1177.8-168.5169.4000109.8Y19 V43 I44 P45 L46 V66 Q67 F68 F85Y19-I83 HydrophobicContact CD1-CG2 4.04Å; Y19-I83 HydrophobicContact CG-CG2 4.16Å; V43-I83 HydrophobicContact CG1-CB 3.9Å; V43-I83 HydrophobicContact CG1-CG2 4.02Å; I44-I83 PolarHBondContact O-N 2.86Å; I44-I83 VanDerWaalsContact O-N 3.11Å; P45-I83 HydrophobicContact CB-CG2 4.07Å; L46-I83 PolarHBondContact N-O 3.35Å; V66-I83 HydrophobicContact CG1-CD1 3.73Å; V66-I83 HydrophobicContact CG1-CG1 4.06Å; Q67-I83 CarbonylContact O-C 3.58Å; Q67-I83 WeakPolarHBondContact O-CA 3.1Å; F68-I83 HydrophobicContact CD1-CB 4.37Å; F68-I83 HydrophobicContact CD1-CD1 4.13Å; F68-I83 HydrophobicContact CD1-CG1 4.25Å; F68-I83 HydrophobicContact CE1-CB 4.46Å; F68-I83 HydrophobicContact CE1-CD1 3.53Å; F68-I83 HydrophobicContact CE1-CG1 4.16Å; F68-I83 HydrophobicContact CE2-CD1 4.18Å; F68-I83 HydrophobicContact CZ-CD1 3.55Å; F68-I83 HydrophobicContact CZ-CG1 4.43Å; I83-F85 HydrophobicContact CD1-CE1 3.96Å; I83-F85 HydrophobicContact CD1-CE2 4.12Å; I83-F85 HydrophobicContact CD1-CZ 3.44Å; I83-F85 VanDerWaalsContact CD1-CZ 3.44Å; I83-F85 HydrophobicContact CG1-CE1 4.27Å; I83-F85 HydrophobicContact CG1-CE2 3.97Å; I83-F85 HydrophobicContact CG1-CZ 3.74Å; I83-F85 HydrophobicContact CG2-CE2 3.99Å; I83-F85 HydrophobicContact CG2-CZ 4.32Å
84N92.8Very high87.7Confident40 Ų4060.3 Ų60.321%0.21432%0.317CS..EExtended strand (participates in β ladder)trans-129.7150.7177.6-165.825.4000110.1L46 W49 Q67 L69L46-N84 HydrophobicContact CD1-CB 4.09Å; W49-N84 VanDerWaalsContact CZ2-OD1 3.25Å; W49-N84 WeakPolarHBondContact CZ2-OD1 3.41Å; Q67-N84 HydrophobicContact CB-CB 4.35Å; Q67-N84 PolarHBondContact N-O 3.08Å; Q67-N84 PolarHBondContact O-N 2.83Å; L69-N84 HydrophobicContact CD1-CB 4.3Å
85F90.8Very high88.2Confident4 Ų462.2 Ų62.22%0.01832%0.32CS..EExtended strand (participates in β ladder)trans-126.6157.1-177.4-61.4-84.2000111.9S15 Y18 Y19 W49 V63 T65 V66 I83 L87S15-F85 VanDerWaalsContact O-CZ 3.24Å; S15-F85 WeakPolarHBondContact O-CZ 3.28Å; Y18-F85 AromaticContact CD2-CE1 3.82Å; Y18-F85 HydrophobicContact CD2-CE1 3.82Å; Y18-F85 HydrophobicContact CD2-CZ 4.4Å; Y18-F85 AromaticContact CG-CE1 3.89Å; Y18-F85 HydrophobicContact CG-CE1 3.89Å; Y18-F85 HydrophobicContact CG-CZ 4.32Å; Y19-F85 AromaticContact CD1-CE2 3.94Å; Y19-F85 HydrophobicContact CD1-CE2 3.94Å; Y19-F85 AromaticContact CD1-CZ 3.96Å; Y19-F85 HydrophobicContact CD1-CZ 3.96Å; Y19-F85 HydrophobicContact CE1-CE2 4.04Å; Y19-F85 HydrophobicContact CE1-CZ 4.35Å; W49-F85 AromaticContact CD1-CD2 3.47Å; W49-F85 VanDerWaalsContact CD1-CD2 3.47Å; W49-F85 HydrophobicContact CD2-CB 4.09Å; W49-F85 HydrophobicContact CD2-CD2 4.42Å; W49-F85 HydrophobicContact CG-CB 4.39Å; W49-F85 AromaticContact CG-CD2 3.96Å; W49-F85 HydrophobicContact CG-CD2 3.96Å; W49-F85 VanDerWaalsContact CH2-O 3.27Å; W49-F85 WeakPolarHBondContact CH2-O 3.4Å; W49-F85 HydrophobicContact CZ2-CB 4.49Å; W49-F85 WeakPolarHBondContact CZ2-O 3.4Å; W49-F85 AromaticContact NE1-CD2 3.65Å; V63-F85 HydrophobicContact CG1-CD1 4Å; V63-F85 HydrophobicContact CG2-CD1 4.19Å; T65-F85 CarbonylContact O-C 3.45Å; T65-F85 VanDerWaalsContact O-CA 3.3Å; T65-F85 WeakPolarHBondContact O-CA 3.46Å; V66-F85 HydrophobicContact CB-CD1 4.46Å; V66-F85 HydrophobicContact CB-CE1 4.4Å; V66-F85 HydrophobicContact CG1-CD1 4.34Å; V66-F85 HydrophobicContact CG1-CE1 3.89Å; V66-F85 HydrophobicContact CG2-CD1 4Å; V66-F85 HydrophobicContact CG2-CE1 3.95Å; I83-F85 HydrophobicContact CD1-CE1 3.96Å; I83-F85 HydrophobicContact CD1-CE2 4.12Å; I83-F85 HydrophobicContact CD1-CZ 3.44Å; I83-F85 VanDerWaalsContact CD1-CZ 3.44Å; I83-F85 HydrophobicContact CG1-CE1 4.27Å; I83-F85 HydrophobicContact CG1-CE2 3.97Å; I83-F85 HydrophobicContact CG1-CZ 3.74Å; I83-F85 HydrophobicContact CG2-CE2 3.99Å; I83-F85 HydrophobicContact CG2-CZ 4.32Å; F85-L87 HydrophobicContact CB-CD2 4.2Å
86T91Very high88.5Confident73 Ų7354.5 Ų54.545%0.44829%0.29SS..EExtended strand (participates in β ladder)trans-124.3124.7160.2-54.50000107.5K64 T65K64-T86 WeakPolarHBondContact CA-O 3.39Å; K64-T86 WeakPolarHBondContact CB-O 3.34Å; K64-T86 PolarHBondContact N-O 2.97Å; T65-T86 PolarHBondContact N-O 2.89Å; T65-T86 VanDerWaalsContact N-O 3.12Å; T65-T86 PolarHBondContact O-N 2.94Å
87L90.3Very high89.1Confident34 Ų3459.3 Ų59.318%0.17830%0.304CS..EExtended strand (participates in β ladder)trans-99.5157-178.5-51.6-176.4000111W49 P50 D61 V62 V63 F85W49-L87 HydrophobicContact CE3-CD1 3.8Å; W49-L87 HydrophobicContact CE3-CG 3.96Å; W49-L87 HydrophobicContact CZ3-CG 4.37Å; P50-L87 HydrophobicContact CG-CD1 3.62Å; D61-L87 HydrophobicContact CB-CD1 3.99Å; V62-L87 CarbonylContact O-C 3.57Å; V62-L87 VanDerWaalsContact O-CA 3.25Å; V62-L87 WeakPolarHBondContact O-CA 3.38Å; V63-L87 HydrophobicContact CB-CD2 4.49Å; V63-L87 HydrophobicContact CG2-CD2 3.91Å; F85-L87 HydrophobicContact CB-CD2 4.2Å
88T90.3Very high89.5Confident42 Ų4259 Ų5926%0.25830%0.303SS..EExtended strand (participates in β ladder)trans-148.2154.6178.4-164.90000110.6V62 K64 V90 V96V62-T88 WeakPolarHBondContact CA-O 3.31Å; V62-T88 VanDerWaalsContact CB-O 3.31Å; V62-T88 WeakPolarHBondContact CB-O 3.27Å; V62-T88 PolarHBondContact N-O 3.13Å; V62-T88 PolarHBondContact O-N 3.05Å; K64-T88 HydrophobicContact CB-CG2 3.79Å; K64-T88 HydrophobicContact CD-CG2 4.1Å; K64-T88 HydrophobicContact CG-CG2 4.29Å; T88-V90 HydrophobicContact CG2-CG2 3.79Å; T88-V96 HydrophobicContact CG2-CG2 4.33Å
89D92.4Very high89.7Confident89 Ų8961 Ų6148%0.47632%0.317SS..EExtended strand (participates in β ladder)trans-93.2135.7173.1-56.3-25.9000109.6C59 L60 D61C59-D89 WeakPolarHBondContact O-CA 3.47Å; L60-D89 VanDerWaalsContact CA-OD1 3.26Å; L60-D89 WeakPolarHBondContact CA-OD1 3.37Å; L60-D89 HydrophobicContact CD2-CB 3.77Å; D61-D89 PolarHBondContact N-OD1 3.37Å
90V90.4Very high90Very high8 Ų860 Ų605%0.04832%0.317CS..EExtended strand (participates in β ladder)trans-127.6122.3-175.4-172.40000109.3V2 F58 C59 V62 T88 Q94 V96V2-V90 HydrophobicContact CB-CG1 4.1Å; V2-V90 HydrophobicContact CG2-CB 4.38Å; V2-V90 HydrophobicContact CG2-CG1 3.94Å; F58-V90 WeakPolarHBondContact CA-O 3.17Å; C59-V90 PolarHBondContact N-O 2.95Å; C59-V90 PolarHBondContact O-N 2.95Å; V62-V90 HydrophobicContact CB-CG2 4.1Å; V62-V90 HydrophobicContact CG1-CG2 4.28Å; V62-V90 HydrophobicContact CG2-CG2 4.21Å; T88-V90 HydrophobicContact CG2-CG2 3.79Å; V90-Q94 HydrophobicContact CG1-CB 3.98Å; V90-V96 HydrophobicContact CG2-CB 4.16Å; V90-V96 HydrophobicContact CG2-CG2 4.08Å
91P91.6Very high89.9Confident34 Ų3457.6 Ų57.622%0.22131%0.308CS..EExtended strand (participates in β ladder)trans-56.8146.5169-18.928.2000110.8F58 Q94F58-P91 HydrophobicContact CD1-CB 4.19Å; F58-P91 HydrophobicContact CD1-CG 3.9Å; F58-P91 HydrophobicContact CE1-CB 4.08Å; F58-P91 HydrophobicContact CE1-CG 3.55Å; F58-P91 HydrophobicContact CZ-CG 4.34Å; P91-Q94 HydrophobicContact CB-CG 4.09Å; P91-Q94 VanDerWaalsContact CD-OE1 3.31Å; P91-Q94 HydrophobicContact CG-CG 4.38Å; P91-Q94 WeakPolarHBondContact O-CB 3.42Å; P91-Q94 PolarHBondContact O-N 2.95Å
92F90Very high89.9Confident52 Ų5261.2 Ų61.223%0.22833%0.329CS..THydrogen-bonded Turntrans-58.5152.2172.3-60.1-36.9000111.5V2 C7 K54 G57 F58 C59 Q94V2-F92 CarbonylContact O-C 3.53Å; V2-F92 WeakPolarHBondContact O-CA 3.45Å; C7-F92 HydrophobicContact CB-CE1 4.4Å; K54-F92 HydrophobicContact CB-CZ 4.31Å; K54-F92 HydrophobicContact CG-CZ 4.46Å; G57-F92 VanDerWaalsContact C-CD2 3.44Å; G57-F92 VanDerWaalsContact C-CE2 3.44Å; G57-F92 VanDerWaalsContact CA-CE2 3.45Å; G57-F92 VanDerWaalsContact O-CD2 3.22Å; G57-F92 WeakPolarHBondContact O-CD2 3.31Å; G57-F92 WeakPolarHBondContact O-CG 3.42Å; G57-F92 PolarHBondContact O-N 3.43Å; F58-F92 VanDerWaalsContact C-CE1 3.48Å; F58-F92 WeakPolarHBondContact O-CZ 3Å; C59-F92 HydrophobicContact CB-CE1 4.1Å; F92-Q94 PolarHBondContact O-N 3.3Å
93E88.6Confident89.7Confident109 Ų10963.9 Ų63.951%0.50934%0.339SS..THydrogen-bonded Turntrans64.820-178.2-51.2-52.6136.700114.2M1 V2M1-E93 HydrophobicContact CE-CB 3.56Å; M1-E93 HydrophobicContact CE-CG 4.33Å; M1-E93 WeakPolarHBondContact CE-O 3.5Å; M1-E93 WeakPolarHBondContact CE-OE2 3.44Å; V2-E93 PolarHBondContact O-N 3.39Å
94Q87.1Confident89.5Confident102 Ų10270.1 Ų70.148%0.47737%0.367SS..BIsolated β-bridgetrans-106.8155.3172.4-66.8-167.90.600113M1 V2 V90 P91 F92M1-Q94 CarbonylContact C-O 3.59Å; M1-Q94 WeakPolarHBondContact CA-O 3.3Å; V2-Q94 PolarHBondContact N-O 3.32Å; V90-Q94 HydrophobicContact CG1-CB 3.98Å; P91-Q94 HydrophobicContact CB-CG 4.09Å; P91-Q94 VanDerWaalsContact CD-OE1 3.31Å; P91-Q94 HydrophobicContact CG-CG 4.38Å; P91-Q94 WeakPolarHBondContact O-CB 3.42Å; P91-Q94 PolarHBondContact O-N 2.95Å; F92-Q94 PolarHBondContact O-N 3.3Å
95L86Confident89.1Confident149 Ų14971.3 Ų71.378%0.7837%0.371SS*.  trans-86.8135.1172.1-67.9169.5000109.5M1M1-L95 HydrophobicContact CB-CD2 3.88Å
96V85Confident88.6Confident37 Ų3775 Ų7522%0.22439%0.39CS..  trans-105.6129.8171.262.50000108.4V2 L13 V62 T88 V90V2-V96 HydrophobicContact CG2-CB 4.26Å; V2-V96 HydrophobicContact CG2-CG1 3.79Å; L13-V96 HydrophobicContact CD2-CG1 3.99Å; V62-V96 HydrophobicContact CG1-CG1 4.39Å; V62-V96 HydrophobicContact CG1-CG2 4.28Å; T88-V96 HydrophobicContact CG2-CG2 4.33Å; V90-V96 HydrophobicContact CG2-CB 4.16Å; V90-V96 HydrophobicContact CG2-CG2 4.08Å
97L88.9Confident87.9Confident144 Ų14474.7 Ų74.775%0.75439%0.386SS*.  trans-93.5116.8173.4-176.769.3000108.6
98Q91.3Very high86.4Confident49 Ų4981.3 Ų81.323%0.22942%0.416CS..  trans-98.8135.9178.9-66.4-178.1-36.900111D12 Y18 V63 K64D12-Q98 PolarHBondContact O-NE2 3.41Å; Y18-Q98 PolarHBondContact OH-OE1 2.94Å; V63-Q98 WeakPolarHBondContact O-CG 3.28Å; V63-Q98 PolarHBondContact O-NE2 3.06Å; K64-Q98 CarbonylContact O-C 3.58Å; K64-Q98 VanDerWaalsContact O-CA 3.28Å; K64-Q98 WeakPolarHBondContact O-CA 3.19Å
99T90.2Very high84.6Confident76 Ų7689.5 Ų89.547%0.46644%0.442SS..EExtended strand (participates in β ladder)trans-115.6130.5177.4-530000110.1K64 T65 V66K64-T99 PolarHBondContact O-N 2.82Å; T65-T99 CarbonylContact C-O 3.51Å; T65-T99 VanDerWaalsContact CA-O 3.32Å; T65-T99 WeakPolarHBondContact CA-O 3.4Å; V66-T99 PolarHBondContact N-O 3.4Å
100H91.1Very high82.2Confident104 Ų10492.4 Ų92.448%0.48146%0.458SS..EExtended strand (participates in β ladder)trans-115129.1178.6-61.882.9000109.2Y18 V66Y18-H100 AromaticContact CE1-NE2 3.36Å; Y18-H100 WeakPolarHBondContact CE1-NE2 3.4Å; Y18-H100 AromaticContact CZ-NE2 3.97Å; V66-H100 CarbonylContact O-C 3.57Å; V66-H100 WeakPolarHBondContact O-CA 3.32Å
101S85.9Confident79.7Confident41 Ų4198.9 Ų98.929%0.28750%0.497SS..EExtended strand (participates in β ladder)trans-133.2151.7176.263.80000111.5V66 Q67 F68V66-S101 PolarHBondContact O-N 2.97Å; Q67-S101 WeakPolarHBondContact CA-O 3.12Å; F68-S101 PolarHBondContact N-O 3.01Å
102V90.5Very high77.2Confident80 Ų80102.1 Ų102.149%0.48552%0.521SS..EExtended strand (participates in β ladder)trans-128.4125.2174.7-172.80000107.9F68 V70 F104F68-V102 HydrophobicContact CB-CB 4.39Å; F68-V102 HydrophobicContact CB-CG1 4.1Å; F68-V102 HydrophobicContact CB-CG2 4.17Å; F68-V102 HydrophobicContact CD2-CG2 4.32Å; F68-V102 CarbonylContact O-C 3.59Å; F68-V102 WeakPolarHBondContact O-CA 3.47Å; V70-V102 HydrophobicContact CG2-CG1 3.98Å; V102-F104 HydrophobicContact CB-CE2 4.35Å; V102-F104 HydrophobicContact CG1-CD2 4.36Å; V102-F104 HydrophobicContact CG1-CE1 4.34Å; V102-F104 HydrophobicContact CG1-CE2 3.69Å; V102-F104 HydrophobicContact CG1-CZ 3.68Å
103E88.6Confident74.5Confident74 Ų74107.6 Ų107.635%0.34655%0.545SS..EExtended strand (participates in β ladder)trans-115132.9176.8-69.7-176.8-168.400110.5Q67 F68 L69 V70 H105Q67-E103 VanDerWaalsContact NE2-CD 3.31Å; Q67-E103 PolarHBondContact NE2-OE1 3.16Å; F68-E103 PolarHBondContact O-N 3.16Å; L69-E103 HydrophobicContact CD2-CB 4.34Å; V70-E103 PolarHBondContact N-O 2.81Å; E103-H105 IonicContact OE2-CE1 3.73Å; E103-H105 IonicContact OE2-NE2 3.11Å; E103-H105 PolarHBondContact OE2-NE2 3.48Å; E103-H105 VanDerWaalsContact OE2-NE2 3.11Å
104F86.4Confident72Confident131 Ų131107.6 Ų107.658%0.57555%0.554SS**EExtended strand (participates in β ladder)trans-106.5119.8179.9-65.3-86.6000110.2V70 Y72 V102V70-F104 HydrophobicContact CB-CD1 3.75Å; V70-F104 HydrophobicContact CB-CE1 3.9Å; V70-F104 HydrophobicContact CG1-CD1 3.86Å; V70-F104 HydrophobicContact CG1-CE1 3.88Å; V70-F104 HydrophobicContact CG2-CE1 4.27Å; V70-F104 CarbonylContact O-C 3.58Å; V70-F104 WeakPolarHBondContact O-CA 3.48Å; Y72-F104 HydrophobicContact CD1-CB 4.2Å; Y72-F104 HydrophobicContact CE1-CB 3.76Å; V102-F104 HydrophobicContact CB-CE2 4.35Å; V102-F104 HydrophobicContact CG1-CD2 4.36Å; V102-F104 HydrophobicContact CG1-CE1 4.34Å; V102-F104 HydrophobicContact CG1-CE2 3.69Å; V102-F104 HydrophobicContact CG1-CZ 3.68Å
105H84.6Confident69.8Low66 Ų66108.2 Ų108.231%0.30657%0.565SS.*EExtended strand (participates in β ladder)trans-114.6126.9-177.2-69.6-75000110.5V70 Y71 Y72 E103 L107V70-H105 PolarHBondContact O-N 3Å; Y71-H105 VanDerWaalsContact CA-O 3.27Å; Y71-H105 WeakPolarHBondContact CA-O 3.31Å; Y71-H105 HydrophobicContact CD1-CB 3.44Å; Y71-H105 VanDerWaalsContact CD1-CB 3.44Å; Y71-H105 HydrophobicContact CE1-CB 3.43Å; Y71-H105 VanDerWaalsContact CE1-CB 3.43Å; Y71-H105 AromaticContact CE1-CG 3.97Å; Y71-H105 HydrophobicContact CG-CB 4.3Å; Y72-H105 VanDerWaalsContact CD1-O 3.27Å; Y72-H105 WeakPolarHBondContact CD1-O 3.44Å; Y72-H105 PolarHBondContact N-O 2.87Å; E103-H105 IonicContact OE2-CE1 3.73Å; E103-H105 IonicContact OE2-NE2 3.11Å; E103-H105 PolarHBondContact OE2-NE2 3.48Å; E103-H105 VanDerWaalsContact OE2-NE2 3.11Å; H105-L107 PolarHBondContact O-N 2.88Å
106L79.4Confident67.6Low81 Ų81109.3 Ų109.342%0.42457%0.566SS.*EExtended strand (participates in β ladder)trans-78.8121.1176-176.269.8000109.4Y72 P74 Q108Y72-L106 HydrophobicContact CD2-CD1 4.08Å; Y72-L106 HydrophobicContact CE1-CB 4.48Å; Y72-L106 HydrophobicContact CE2-CD1 3.73Å; P74-L106 HydrophobicContact CB-CD1 4.44Å; P74-L106 HydrophobicContact CG-CD1 4.03Å; L106-Q108 PolarHBondContact O-N 3.08Å
107L76.5Confident65.4Low67 Ų67111.4 Ų111.435%0.35159%0.587SS.*  trans-67.3104.7172.8-73.5167.4000109.7Y71 Y72 R79 H105Y71-L107 HydrophobicContact CD1-CD2 3.94Å; Y71-L107 HydrophobicContact CD1-CG 4.37Å; Y71-L107 HydrophobicContact CG-CD2 4.3Å; Y72-L107 PolarHBondContact O-N 3.32Å; R79-L107 HydrophobicContact CB-CD1 3.44Å; R79-L107 VanDerWaalsContact CB-CD1 3.44Å; R79-L107 HydrophobicContact CG-CD1 3.88Å; H105-L107 PolarHBondContact O-N 2.88Å
108Q59.2Low63Low173 Ų173109.7 Ų109.781%0.80859%0.585SS**PPolyproline II helixtrans-74.3130.8169-65-174.6-3.600108.4L106 D110L106-Q108 PolarHBondContact O-N 3.08Å; Q108-D110 PolarHBondContact O-N 3.32Å
109R53.1Low60.7Low214 Ų214112.3 Ų112.381%0.80861%0.606SS**PPolyproline II helixtrans-56.7121.2-174.7-170.7-173.2-61.6150.81.1110.4T111R109-T111 PolarHBondContact O-N 2.76Å
110D41.8Very low58.5Low150 Ų150112.7 Ų112.780%0.80261%0.605SS**PPolyproline II helixtrans-49121.8167.3-98.1-36.6000110Q108 S112Q108-D110 PolarHBondContact O-N 3.32Å; D110-S112 PolarHBondContact O-N 3.23Å
111T39Very low56.3Low143 Ų143111 Ų11188%0.87760%0.604SS**  trans-76.764-178.442.50000111.7R109R109-T111 PolarHBondContact O-N 2.76Å
112S38.5Very low54.6Low103 Ų103114 Ų11472%0.7262%0.622SS**  trans-107101.8152.160.50000107.7D110 P114D110-S112 PolarHBondContact O-N 3.23Å; S112-P114 WeakPolarHBondContact O-CD 3.27Å
113K32.5Very low53.1Low167 Ų167113.5 Ų113.573%0.72662%0.62SS**  trans-82.8112.9-173.7178.1-175.5-177.2-175.70109.7T115K113-T115 WeakPolarHBondContact CE-OG1 3.43Å
114P36.8Very low52.7Low109 Ų109113.3 Ų113.371%0.70862%0.624SS**  trans-74.8128.113216.3-2.3000106.5S112 Q116S112-P114 WeakPolarHBondContact O-CD 3.27Å; P114-Q116 PolarHBondContact O-N 2.81Å
115T40.9Very low52.6Low115 Ų115107.3 Ų107.371%0.70660%0.599SS**  trans-60.985.5173.8-59.60000109.3K113K113-T115 WeakPolarHBondContact CE-OG1 3.43Å
116Q39.4Very low52.9Low172 Ų172104.5 Ų104.580%0.80459%0.586SS**  trans-92.8127.1150.4-80.3-179-7.700105.9P114P114-Q116 PolarHBondContact O-N 2.81Å
117A37.9Very low53.4Low80 Ų80109.5 Ų109.566%0.66160%0.599SS**  trans-43.6139171.300000109.4P119A117-P119 VanDerWaalsContact O-N 3.17Å
118P39.2Very low54.1Low109 Ų109112.6 Ų112.671%0.70861%0.61SS**PPolyproline II helixtrans-50.8128.7179.119.4-30000108.8N120P118-N120 PolarHBondContact O-N 2.92Å; P118-N120 VanDerWaalsContact O-N 3.17Å
119P43Very low55.6Low104 Ų104105.7 Ų105.768%0.67559%0.585SS**PPolyproline II helixtrans-55.3128.417121.9-29.9000106.8A117A117-P119 VanDerWaalsContact O-N 3.17Å
120N44.4Very low57.4Low83 Ų8397.2 Ų97.244%0.44456%0.559SS.*PPolyproline II helixtrans-48.7131.3-175.3-66.4-30.7000109.8P118 Q210P118-N120 PolarHBondContact O-N 2.92Å; P118-N120 VanDerWaalsContact O-N 3.17Å; N120-Q210 VanDerWaalsContact CG-CD 3.44Å; N120-Q210 PolarHBondContact ND2-OE1 2.71Å; N120-Q210 PolarHBondContact OD1-NE2 2.83Å; N120-Q210 VanDerWaalsContact OD1-NE2 3.12Å; N120-Q210 PolarHBondContact OD1-OE1 2.89Å
121P44.3Very low59.9Low70 Ų7091.6 Ų91.646%0.45553%0.533SS..PPolyproline II helixtrans-52.8140.7170.722-30.2000108
122P51.5Low62.5Low103 Ų10384.8 Ų84.867%0.66949%0.492SS*.PPolyproline II helixtrans-52.7140.6-178.720.5-31.3000109.7V124P122-V124 PolarHBondContact O-N 3.03Å
123P59.2Low65.2Low70 Ų7082.3 Ų82.346%0.45547%0.469SS..  trans-46.2111.5176.4-32.638000111.2N206P123-N206 WeakPolarHBondContact CA-ND2 3.38Å; P123-N206 HydrophobicContact CB-CB 4.39Å; P123-N206 VanDerWaalsContact CB-ND2 3.3Å; P123-N206 WeakPolarHBondContact CB-ND2 3.34Å
124V78.3Confident68Low70 Ų7074.3 Ų74.342%0.42443%0.434SS..BIsolated β-bridgetrans-86133.4175.2-177.80000107.5P122 N206 S207P122-V124 PolarHBondContact O-N 3.03Å; V124-N206 WeakPolarHBondContact O-CB 3.41Å; V124-S207 PolarHBondContact N-O 2.87Å; V124-S207 WeakPolarHBondContact O-CA 3.45Å; V124-S207 WeakPolarHBondContact O-CB 3.32Å; V124-S207 PolarHBondContact O-N 3.06Å
125G85.1Confident70.7Confident5 Ų571.1 Ų71.15%0.05241%0.411CS..PPolyproline II helixtrans-58154.5176.500000112.6N256G125-N256 CarbonylContact C-O 3.55Å; G125-N256 WeakPolarHBondContact CA-O 3.46Å
126L91.2Very high72.9Confident6 Ų666.8 Ų66.83%0.03138%0.383CS..PPolyproline II helixtrans-63.9137.6176.8-70.7158.9000111F166 M205 N256 I258L126-F166 HydrophobicContact CB-CD1 3.69Å; L126-F166 HydrophobicContact CB-CD2 4.48Å; L126-F166 HydrophobicContact CB-CE1 3.68Å; L126-F166 HydrophobicContact CB-CE2 4.48Å; L126-F166 HydrophobicContact CB-CG 4.13Å; L126-F166 HydrophobicContact CB-CZ 4.11Å; L126-F166 HydrophobicContact CD1-CD2 4.07Å; L126-F166 HydrophobicContact CD1-CE2 3.93Å; L126-F166 HydrophobicContact CD1-CG 4.48Å; L126-F166 HydrophobicContact CD1-CZ 4.2Å; L126-M205 WeakPolarHBondContact CD1-O 3.44Å; L126-N256 HydrophobicContact CB-CB 4.21Å; L126-N256 PolarHBondContact N-O 3.18Å; L126-N256 WeakPolarHBondContact O-CB 3.49Å; L126-N256 PolarHBondContact O-ND2 2.9Å; L126-I258 HydrophobicContact CD1-CB 4.19Å; L126-I258 HydrophobicContact CD1-CD1 3.51Å; L126-I258 HydrophobicContact CD1-CG1 3.48Å; L126-I258 VanDerWaalsContact CD1-CG1 3.48Å
127R89.4Confident75.1Confident186 Ų18664.4 Ų64.470%0.70238%0.376SS*.PPolyproline II helixtrans-86.5134.1174.4-64.5-177.8-178.8-174.40109.1G129 S130R127-G129 PolarHBondContact O-N 3.5Å; R127-S130 WeakPolarHBondContact O-CB 3.4Å; R127-S130 PolarHBondContact O-N 2.87Å; R127-S130 PolarHBondContact O-OG 3.38Å
128K90.8Very high77.3Confident133 Ų13363.6 Ų63.658%0.57838%0.375SS*.THydrogen-bonded Turntrans-56131.9173.7-65.3-172.7-179.9-179.80109.4S130 T167K128-S130 VanDerWaalsContact C-N 3.3Å; K128-S130 PolarHBondContact O-N 2.88Å; K128-T167 HydrophobicContact CG-CG2 4.05Å
129G90.4Very high79.7Confident28 Ų2864.4 Ų64.429%0.28937%0.37SS..THydrogen-bonded Turntrans79.3-2.1-176.700000116.1R127 F166 H168R127-G129 PolarHBondContact O-N 3.5Å; G129-F166 PolarHBondContact N-O 2.96Å; G129-H168 WeakPolarHBondContact CA-CE1 3.41Å
130S92.3Very high81.9Confident35 Ų3563 Ų6325%0.24536%0.355CS..PPolyproline II helixtrans-70.7151.2170.466.70000111R127 K128 V132 F166R127-S130 WeakPolarHBondContact O-CB 3.4Å; R127-S130 PolarHBondContact O-N 2.87Å; R127-S130 PolarHBondContact O-OG 3.38Å; K128-S130 VanDerWaalsContact C-N 3.3Å; K128-S130 PolarHBondContact O-N 2.88Å; S130-V132 PolarHBondContact O-N 2.85Å; S130-F166 WeakPolarHBondContact O-CB 3.4Å; S130-F166 PolarHBondContact O-N 3.43Å
131A93.5Very high84Confident33 Ų3362.2 Ų62.227%0.27335%0.349SS..BIsolated β-bridgetrans-59.3136.2171.600000110.6M133 P142A131-M133 HydrophobicContact CB-SD 4.47Å; A131-P142 HydrophobicContact CB-CB 4.29Å
132V94.3Very high86.3Confident0 Ų061.1 Ų61.10%034%0.342CS..PPolyproline II helixtrans-76128.8170.8178.90000107.9S130 L143 I164 F166 I203 I243 I258 F286S130-V132 PolarHBondContact O-N 2.85Å; V132-L143 HydrophobicContact CB-CB 4.45Å; V132-L143 HydrophobicContact CG1-CB 4.45Å; V132-L143 HydrophobicContact CG1-CD2 4.42Å; V132-L143 WeakPolarHBondContact O-CB 3.13Å; V132-L143 PolarHBondContact O-N 2.88Å; V132-I164 HydrophobicContact CG2-CG2 4.37Å; V132-I164 PolarHBondContact N-O 3.22Å; V132-F166 HydrophobicContact CG2-CB 4.1Å; V132-I203 HydrophobicContact CG1-CD1 3.43Å; V132-I203 VanDerWaalsContact CG1-CD1 3.43Å; V132-I203 HydrophobicContact CG1-CG1 3.61Å; V132-I243 HydrophobicContact CG1-CD1 4.46Å; V132-I258 HydrophobicContact CG1-CD1 3.99Å; V132-I258 HydrophobicContact CG2-CD1 4.46Å; V132-F286 HydrophobicContact CG2-CE1 4.01Å; V132-F286 HydrophobicContact CG2-CZ 3.83Å
133M94.1Very high88.2Confident50 Ų5056.5 Ų56.525%0.24631%0.312CS..EExtended strand (participates in β ladder)trans-97.6143.4-179-54.5-58.5-71.100110.3A131 M140 P142 I203 A204A131-M133 HydrophobicContact CB-SD 4.47Å; M133-M140 HydrophobicContact CB-CG 4.04Å; M133-M140 HydrophobicContact CB-SD 4.46Å; M133-M140 HydrophobicContact CE-CG 3.65Å; M133-M140 HydrophobicContact CE-SD 4.1Å; M133-M140 HydrophobicContact CG-CG 4.46Å; M133-M140 HydrophobicContact CG-SD 4.45Å; M133-P142 HydrophobicContact CE-CG 4.21Å; M133-P142 HydrophobicContact SD-CB 4.37Å; M133-P142 HydrophobicContact SD-CG 4.16Å; M133-I203 WeakPolarHBondContact O-CG1 2.81Å; M133-A204 HydrophobicContact CB-CB 3.9Å; M133-A204 WeakPolarHBondContact O-CB 3.27Å; M133-A204 PolarHBondContact O-N 3.03Å
134A93Very high89.7Confident0 Ų056.4 Ų56.40%030%0.304CS..EExtended strand (participates in β ladder)trans-132.1157.7175.700000110.2I136 Q141 L143 P200 E202A134-I136 HydrophobicContact CB-CG1 4.42Å; A134-Q141 PolarHBondContact N-O 2.9Å; A134-Q141 PolarHBondContact O-N 3.42Å; A134-Q141 VanDerWaalsContact O-O 3.11Å; A134-L143 HydrophobicContact CB-CB 4.17Å; A134-L143 HydrophobicContact CB-CD1 4.31Å; A134-P200 HydrophobicContact CB-CB 3.75Å; A134-E202 CarbonylContact C-O 3.52Å; A134-E202 VanDerWaalsContact CA-O 3.27Å; A134-E202 WeakPolarHBondContact CA-O 3.22Å; A134-E202 WeakPolarHBondContact CB-O 3.3Å
135L91.7Very high90.1Very high42 Ų4253.5 Ų53.522%0.2229%0.287CS..EExtended strand (participates in β ladder)trans-91.3112.5172.8-163.670.9000108.3P200 D201 E202 W213L135-P200 WeakPolarHBondContact O-CA 3.38Å; L135-D201 PolarHBondContact O-N 3.32Å; L135-E202 HydrophobicContact CB-CB 4.22Å; L135-E202 PolarHBondContact N-O 3.24Å; L135-W213 HydrophobicContact CB-CE3 4.23Å; L135-W213 HydrophobicContact CB-CH2 4.12Å; L135-W213 HydrophobicContact CB-CZ3 3.88Å; L135-W213 HydrophobicContact CD1-CH2 4.12Å; L135-W213 HydrophobicContact CD1-CZ2 4.13Å
136I88.5Confident90.2Very high23 Ų2353.3 Ų53.312%0.11829%0.285CS..EExtended strand (participates in β ladder)trans-123.9119.6-179.4-57175.8000106.7A134 G138 E139 Q141 T198 P200A134-I136 HydrophobicContact CB-CG1 4.42Å; I136-G138 PolarHBondContact O-N 2.66Å; I136-G138 VanDerWaalsContact O-N 3.16Å; I136-E139 PolarHBondContact N-O 3.39Å; I136-E139 PolarHBondContact O-N 2.77Å; I136-Q141 HydrophobicContact CD1-CB 4.23Å; I136-T198 HydrophobicContact CG2-CG2 4.06Å; I136-P200 HydrophobicContact CG1-CB 3.89Å
137D85.8Confident89.8Confident122 Ų12253 Ų5365%0.65228%0.283SS*.THydrogen-bonded Turntrans51.835.1-175.5-68.5-43.4000114E139 T198D137-E139 PolarHBondContact O-N 3.42Å; D137-T198 VanDerWaalsContact CG-CG2 3.46Å; D137-T198 WeakPolarHBondContact OD1-CG2 3.27Å; D137-T198 VanDerWaalsContact OD2-CB 3.27Å; D137-T198 WeakPolarHBondContact OD2-CB 3.47Å; D137-T198 WeakPolarHBondContact OD2-CG2 3.3Å; D137-T198 PolarHBondContact OD2-OG1 3.28Å
138G84.4Confident89.6Confident63 Ų6347.3 Ų47.365%0.64927%0.268SS*.THydrogen-bonded Turntrans77.11.5-178.500000114.8I136I136-G138 PolarHBondContact O-N 2.66Å; I136-G138 VanDerWaalsContact O-N 3.16Å
139E88.1Confident89.2Confident126 Ų12642.3 Ų42.359%0.58925%0.251SS*.EExtended strand (participates in β ladder)trans-106.5142.4175.8-66-162149.300112.3I136 D137 Q141I136-E139 PolarHBondContact N-O 3.39Å; I136-E139 PolarHBondContact O-N 2.77Å; D137-E139 PolarHBondContact O-N 3.42Å; E139-Q141 HydrophobicContact CB-CG 4.25Å; E139-Q141 PolarHBondContact O-N 3.13Å; E139-Q141 PolarHBondContact OE2-NE2 3.29Å
140M88.8Confident88.5Confident75 Ų7549.4 Ų49.437%0.36928%0.276SS..EExtended strand (participates in β ladder)trans-77.8110.3175.1-178.3-170.8-55.900109.7M133 P211 W213M133-M140 HydrophobicContact CB-CG 4.04Å; M133-M140 HydrophobicContact CB-SD 4.46Å; M133-M140 HydrophobicContact CE-CG 3.65Å; M133-M140 HydrophobicContact CE-SD 4.1Å; M133-M140 HydrophobicContact CG-CG 4.46Å; M133-M140 HydrophobicContact CG-SD 4.45Å; M140-P211 HydrophobicContact CE-CG 3.56Å; M140-W213 HydrophobicContact CB-CH2 4.28Å; M140-W213 HydrophobicContact CE-CH2 4.15Å; M140-W213 HydrophobicContact CE-CZ2 3.92Å; M140-W213 HydrophobicContact CG-CH2 4.04Å
141Q90.3Very high87.8Confident67 Ų6751.6 Ų51.631%0.31330%0.304SS..EExtended strand (participates in β ladder)trans-130.5153.2-178.4-60.5-173.619.200111.2A134 I136 E139 L143A134-Q141 PolarHBondContact N-O 2.9Å; A134-Q141 PolarHBondContact O-N 3.42Å; A134-Q141 VanDerWaalsContact O-O 3.11Å; I136-Q141 HydrophobicContact CD1-CB 4.23Å; E139-Q141 HydrophobicContact CB-CG 4.25Å; E139-Q141 PolarHBondContact O-N 3.13Å; E139-Q141 PolarHBondContact OE2-NE2 3.29Å; Q141-L143 PolarHBondContact O-N 3Å
142P91.4Very high87.4Confident47 Ų4751.5 Ų51.531%0.30531%0.306SS..EExtended strand (participates in β ladder)trans-60.4131.5173.4-22.733.9000110.6A131 M133 K144A131-P142 HydrophobicContact CB-CB 4.29Å; M133-P142 HydrophobicContact CE-CG 4.21Å; M133-P142 HydrophobicContact SD-CB 4.37Å; M133-P142 HydrophobicContact SD-CG 4.16Å; P142-K144 WeakPolarHBondContact O-CG 3.27Å; P142-K144 PolarHBondContact O-N 2.99Å
143L91.7Very high87.2Confident6 Ų658 Ų583%0.03133%0.331CS..  trans-67.3120.4169.6-177.963000108.3V132 A134 Q141 I164 P200 I203 I241 F263V132-L143 HydrophobicContact CB-CB 4.45Å; V132-L143 HydrophobicContact CG1-CB 4.45Å; V132-L143 HydrophobicContact CG1-CD2 4.42Å; V132-L143 WeakPolarHBondContact O-CB 3.13Å; V132-L143 PolarHBondContact O-N 2.88Å; A134-L143 HydrophobicContact CB-CB 4.17Å; A134-L143 HydrophobicContact CB-CD1 4.31Å; Q141-L143 PolarHBondContact O-N 3Å; L143-I164 HydrophobicContact CD2-CD1 3.85Å; L143-I164 HydrophobicContact CG-CD1 3.84Å; L143-I164 HydrophobicContact CG-CG1 4.48Å; L143-I164 PolarHBondContact O-N 2.78Å; L143-P200 HydrophobicContact CD1-CG 3.92Å; L143-I203 HydrophobicContact CD2-CD1 4.11Å; L143-I241 HydrophobicContact CD2-CG2 4.49Å; L143-F263 HydrophobicContact CD1-CZ 3.82Å; L143-F263 HydrophobicContact CD2-CE1 4.3Å; L143-F263 HydrophobicContact CD2-CZ 4.05Å
144K90Very high87.1Confident68 Ų6856.7 Ų56.730%0.29633%0.326SS..EExtended strand (participates in β ladder)trans-108.5157.4-178.5-50-174.3-174.3166.80111.1P142 P158 L161 S162P142-K144 WeakPolarHBondContact O-CG 3.27Å; P142-K144 PolarHBondContact O-N 2.99Å; K144-P158 PolarHBondContact NZ-O 3.36Å; K144-L161 HydrophobicContact CB-CB 3.68Å; K144-L161 HydrophobicContact CB-CD1 4.28Å; K144-L161 HydrophobicContact CD-CB 3.62Å; K144-L161 HydrophobicContact CD-CD1 4.27Å; K144-L161 HydrophobicContact CG-CB 4.27Å; K144-S162 CarbonylContact C-O 3.59Å; K144-S162 WeakPolarHBondContact CA-O 3.46Å
145S87.6Confident86.8Confident9 Ų957.4 Ų57.46%0.06333%0.331CS..EExtended strand (participates in β ladder)trans-116.8174.5174.364.40000109.8G147 L161 S162S145-G147 PolarHBondContact O-N 3.39Å; S145-L161 WeakPolarHBondContact O-CB 3.32Å; S145-S162 PolarHBondContact N-O 2.87Å; S145-S162 PolarHBondContact O-N 3.43Å; S145-S162 PolarHBondContact OG-O 3.33Å
146L87.1Confident86.3Confident1 Ų158.9 Ų58.91%0.00535%0.345CS..  trans-40.6127179.8-172.274.5000113.6C174 I193 F194 A282L146-C174 VanDerWaalsContact CD1-SG 3.53Å; L146-C174 HydrophobicContact CD2-CB 4.31Å; L146-C174 VanDerWaalsContact CD2-SG 3.5Å; L146-I193 HydrophobicContact CD1-CG2 3.24Å; L146-F194 HydrophobicContact CD1-CD1 4.06Å; L146-F194 HydrophobicContact CD1-CE1 4.19Å; L146-A282 HydrophobicContact CB-CB 3.66Å; L146-A282 HydrophobicContact CD2-CB 4.18Å
147G83.2Confident86Confident0 Ų060.8 Ų60.80%036%0.355CS..EExtended strand (participates in β ladder)trans-95.6142.9174.700000112.2S145 S155 R160 L161S145-G147 PolarHBondContact O-N 3.39Å; G147-S155 PolarHBondContact O-N 2.91Å; G147-R160 WeakPolarHBondContact CA-O 3.42Å; G147-L161 VanDerWaalsContact N-CD2 3.35Å
148V84.1Confident85.6Confident65 Ų6558.6 Ų58.639%0.39435%0.348SS..EExtended strand (participates in β ladder)trans-116.7127.6180-171.20000108.9C174V148-C174 HydrophobicContact CG2-CB 4.24Å
149S82.8Confident85.4Confident29 Ų2960.2 Ų60.220%0.20335%0.349CS..  trans-90.1173.6173.260.40000111.8G151 G152 R153S149-G151 PolarHBondContact O-N 2.85Å; S149-G152 PolarHBondContact O-N 3.28Å; S149-G152 VanDerWaalsContact O-N 3.08Å; S149-R153 PolarHBondContact N-O 2.79Å; S149-R153 WeakPolarHBondContact OG-CB 3.49Å; S149-R153 PolarHBondContact OG-O 2.97Å; S149-R153 VanDerWaalsContact OG-O 3.06Å
150E75.4Confident85.2Confident177 Ų17759.5 Ų59.583%0.82734%0.341SS*.THydrogen-bonded Turntrans-58.1131.8176.4-65.8-169165.700110.2
151G78.4Confident85Confident80 Ų8057 Ų5783%0.82533%0.329SS*.THydrogen-bonded Turntrans85.89.9-174.400000115.4S149S149-G151 PolarHBondContact O-N 2.85Å
152G84.8Confident84.7Confident32 Ų3256.8 Ų56.833%0.3334%0.335SS..SBendtrans79.218.7171.400000114.5S149 C174 T175S149-G152 PolarHBondContact O-N 3.28Å; S149-G152 VanDerWaalsContact O-N 3.08Å; G152-C174 WeakPolarHBondContact O-CA 3.37Å; G152-T175 PolarHBondContact O-N 3.04Å; G152-T175 PolarHBondContact O-OG1 2.79Å
153R90.6Very high84.7Confident137 Ų13757.7 Ų57.752%0.51734%0.341SS..BIsolated β-bridgetrans-86.7151.6177.4-59.4175.972.6124.32.4110.6S149 T175 S177S149-R153 PolarHBondContact N-O 2.79Å; S149-R153 WeakPolarHBondContact OG-CB 3.49Å; S149-R153 PolarHBondContact OG-O 2.97Å; S149-R153 VanDerWaalsContact OG-O 3.06Å; R153-T175 CarbonylContact C-O 3.48Å; R153-T175 WeakPolarHBondContact CA-O 3.21Å; R153-S177 PolarHBondContact NH2-OG 2.78Å
154C91.2Very high84.8Confident22 Ų2257.4 Ų57.415%0.14934%0.34CS..EExtended strand (participates in β ladder)trans-68139.6175.9-57.50000110.3C174 T175 I193C154-C174 WeakPolarHBondContact CA-SG 3.36Å; C154-C174 HydrophobicContact CB-CB 3.96Å; C154-C174 WeakPolarHBondContact CB-SG 3.26Å; C154-C174 WeakPolarHBondContact SG-CB 3.26Å; C154-C174 CovalentContact SG-SG 2.02Å; C154-C174 PolarHBondContact SG-SG 2.99Å; C154-T175 PolarHBondContact N-O 2.79Å; C154-T175 PolarHBondContact SG-O 3.49Å; C154-T175 VanDerWaalsContact SG-O 3.34Å; C154-I193 HydrophobicContact CB-CD1 4.01Å; C154-I193 HydrophobicContact CB-CG2 3.92Å
155S87.1Confident85Confident15 Ų1557.3 Ų57.311%0.10534%0.342CS..EExtended strand (participates in β ladder)trans-120129.6177.1-168.70000110.5G147 D157 R160G147-S155 PolarHBondContact O-N 2.91Å; S155-D157 VanDerWaalsContact C-N 3.32Å; S155-D157 WeakPolarHBondContact OG-CB 3.35Å; S155-D157 PolarHBondContact OG-N 2.93Å; S155-R160 WeakPolarHBondContact OG-CD 3.41Å
156S81.2Confident85.5Confident73 Ų7356.9 Ų56.951%0.5134%0.339SS..  trans-87.1-2.3168.951.20000112.8P158S156-P158 VanDerWaalsContact O-CD 3.26Å; S156-P158 WeakPolarHBondContact O-CD 3.41Å
157D83Confident85.7Confident62 Ų6258.7 Ų58.733%0.33235%0.35SS..  trans-66.8116.7179.4-179.6-11.5000110.2S155 S159 R160 L161S155-D157 VanDerWaalsContact C-N 3.32Å; S155-D157 WeakPolarHBondContact OG-CB 3.35Å; S155-D157 PolarHBondContact OG-N 2.93Å; D157-S159 PolarHBondContact O-N 3.42Å; D157-S159 WeakPolarHBondContact OD1-CB 3.42Å; D157-S159 PolarHBondContact OD1-N 2.82Å; D157-S159 PolarHBondContact OD1-OG 2.87Å; D157-S159 PolarHBondContact OD2-OG 2.87Å; D157-R160 HydrophobicContact CB-CB 4.34Å; D157-R160 HydrophobicContact CB-CG 4.18Å; D157-R160 PolarHBondContact O-N 2.83Å; D157-R160 IonicContact OD2-NE 2.58Å; D157-L161 PolarHBondContact O-N 2.88Å
158P77.5Confident86.2Confident77 Ų7762.9 Ų62.950%0.537%0.37SS..THydrogen-bonded Turntrans-58.1-22.9-178.7-24.734.6000114.3K144 S156K144-P158 PolarHBondContact NZ-O 3.36Å; S156-P158 VanDerWaalsContact O-CD 3.26Å; S156-P158 WeakPolarHBondContact O-CD 3.41Å
159S80.1Confident86.7Confident96 Ų9664.8 Ų64.867%0.67138%0.378SS*.THydrogen-bonded Turntrans-76.2-22.817873.10000113.2D157D157-S159 PolarHBondContact O-N 3.42Å; D157-S159 WeakPolarHBondContact OD1-CB 3.42Å; D157-S159 PolarHBondContact OD1-N 2.82Å; D157-S159 PolarHBondContact OD1-OG 2.87Å; D157-S159 PolarHBondContact OD2-OG 2.87Å
160R82.4Confident87.1Confident112 Ų11266.1 Ų66.142%0.42338%0.384SS..THydrogen-bonded Turntrans-96.3-10.9-179.4-65.2-177.8178.2-120.14.4113.6G147 S155 D157G147-R160 WeakPolarHBondContact CA-O 3.42Å; S155-R160 WeakPolarHBondContact OG-CD 3.41Å; D157-R160 HydrophobicContact CB-CB 4.34Å; D157-R160 HydrophobicContact CB-CG 4.18Å; D157-R160 PolarHBondContact O-N 2.83Å; D157-R160 IonicContact OD2-NE 2.58Å
161L84.6Confident87.9Confident22 Ų2264 Ų6412%0.11538%0.377CS..SBendtrans-67.5131.4174.8-61.2-179000110.2K144 S145 G147 D157K144-L161 HydrophobicContact CB-CB 3.68Å; K144-L161 HydrophobicContact CB-CD1 4.28Å; K144-L161 HydrophobicContact CD-CB 3.62Å; K144-L161 HydrophobicContact CD-CD1 4.27Å; K144-L161 HydrophobicContact CG-CB 4.27Å; S145-L161 WeakPolarHBondContact O-CB 3.32Å; G147-L161 VanDerWaalsContact N-CD2 3.35Å; D157-L161 PolarHBondContact O-N 2.88Å
162S85.4Confident88.5Confident62 Ų6261.6 Ų61.643%0.43435%0.348SS..EExtended strand (participates in β ladder)trans-84.9129.3-176.1-67.90000111.2K144 S145K144-S162 CarbonylContact C-O 3.59Å; K144-S162 WeakPolarHBondContact CA-O 3.46Å; S145-S162 PolarHBondContact N-O 2.87Å; S145-S162 PolarHBondContact O-N 3.43Å; S145-S162 PolarHBondContact OG-O 3.33Å
163P91.6Very high88.8Confident67 Ų6761.9 Ų61.944%0.43535%0.351SS..EExtended strand (participates in β ladder)trans-66.8142.8178.528.7-34.4000110.9L165P163-L165 HydrophobicContact CB-CD2 4.42Å; P163-L165 HydrophobicContact CG-CD2 4.32Å
164I93.1Very high88.9Confident0 Ų055.5 Ų55.50%033%0.327CS..PPolyproline II helixtrans-82.6120.7174.1-58.6-176.4000108.3V132 L143 I241 A284 F286V132-I164 HydrophobicContact CG2-CG2 4.37Å; V132-I164 PolarHBondContact N-O 3.22Å; L143-I164 HydrophobicContact CD2-CD1 3.85Å; L143-I164 HydrophobicContact CG-CD1 3.84Å; L143-I164 HydrophobicContact CG-CG1 4.48Å; L143-I164 PolarHBondContact O-N 2.78Å; I164-I241 HydrophobicContact CD1-CD1 3.18Å; I164-I241 HydrophobicContact CD1-CG1 4.43Å; I164-I241 HydrophobicContact CD1-CG2 4.35Å; I164-A284 HydrophobicContact CD1-CB 4.14Å; I164-A284 HydrophobicContact CG2-CB 3.95Å; I164-F286 HydrophobicContact CG2-CE2 3.94Å; I164-F286 HydrophobicContact CG2-CZ 3.73Å
165L94.9Very high89.1Confident65 Ų6557.1 Ų57.134%0.3434%0.336SS..BIsolated β-bridgetrans-96.3131.4-178-53.4-177.7000110.1P163 T167 H168 F286P163-L165 HydrophobicContact CB-CD2 4.42Å; P163-L165 HydrophobicContact CG-CD2 4.32Å; L165-T167 PolarHBondContact O-N 2.9Å; L165-H168 HydrophobicContact CB-CB 4.07Å; L165-H168 PolarHBondContact O-N 2.87Å; L165-F286 WeakPolarHBondContact O-CE2 3.26Å; L165-F286 VanDerWaalsContact O-CZ 3.32Å; L165-F286 WeakPolarHBondContact O-CZ 3.32Å
166F96.1Very high89.4Confident0 Ų057.1 Ų57.10%034%0.335CS..THydrogen-bonded Turntrans-56.5134.2-179.1-177.2-117.7000110.6L126 G129 S130 V132 H168 W245 N256 I258 F286L126-F166 HydrophobicContact CB-CD1 3.69Å; L126-F166 HydrophobicContact CB-CD2 4.48Å; L126-F166 HydrophobicContact CB-CE1 3.68Å; L126-F166 HydrophobicContact CB-CE2 4.48Å; L126-F166 HydrophobicContact CB-CG 4.13Å; L126-F166 HydrophobicContact CB-CZ 4.11Å; L126-F166 HydrophobicContact CD1-CD2 4.07Å; L126-F166 HydrophobicContact CD1-CE2 3.93Å; L126-F166 HydrophobicContact CD1-CG 4.48Å; L126-F166 HydrophobicContact CD1-CZ 4.2Å; G129-F166 PolarHBondContact N-O 2.96Å; S130-F166 WeakPolarHBondContact O-CB 3.4Å; S130-F166 PolarHBondContact O-N 3.43Å; V132-F166 HydrophobicContact CG2-CB 4.1Å; F166-H168 PolarHBondContact O-N 3.04Å; F166-H168 PolarHBondContact O-ND1 3.32Å; F166-W245 HydrophobicContact CE2-CB 3.96Å; F166-W245 HydrophobicContact CE2-CD2 4.15Å; F166-W245 AromaticContact CE2-CG 3.86Å; F166-W245 HydrophobicContact CE2-CG 3.86Å; F166-W245 HydrophobicContact CZ-CB 4.17Å; F166-W245 AromaticContact CZ-CD2 3.68Å; F166-W245 HydrophobicContact CZ-CD2 3.68Å; F166-W245 AromaticContact CZ-CE3 3.76Å; F166-W245 HydrophobicContact CZ-CE3 3.76Å; F166-W245 AromaticContact CZ-CG 3.88Å; F166-W245 HydrophobicContact CZ-CG 3.88Å; F166-W245 HydrophobicContact CZ-CZ3 4.42Å; F166-N256 HydrophobicContact CE1-CB 3.57Å; F166-N256 HydrophobicContact CZ-CB 3.77Å; F166-I258 HydrophobicContact CD2-CD1 4.16Å; F166-I258 HydrophobicContact CD2-CG1 4.26Å; F166-I258 HydrophobicContact CE2-CD1 4.27Å; F166-I258 HydrophobicContact CE2-CG1 3.86Å; F166-F286 HydrophobicContact CD2-CD1 4.02Å; F166-F286 AromaticContact CD2-CE1 3.71Å; F166-F286 HydrophobicContact CD2-CE1 3.71Å; F166-F286 HydrophobicContact CE2-CD1 4.26Å; F166-F286 HydrophobicContact CE2-CE1 4.35Å
167T92.1Very high89.8Confident40 Ų4056.1 Ų56.125%0.24533%0.328CS..THydrogen-bonded Turntrans63.39.9-174.475.30000116.8K128 L165 W245K128-T167 HydrophobicContact CG-CG2 4.05Å; L165-T167 PolarHBondContact O-N 2.9Å; T167-W245 HydrophobicContact CG2-CH2 4.46Å; T167-W245 HydrophobicContact CG2-CZ2 3.89Å
168H93.6Very high90.1Very high88 Ų8854.2 Ų54.241%0.40732%0.319SS..  trans-108.3108.6177.7-65.470.5000110G129 L165 F166 T170 F286G129-H168 WeakPolarHBondContact CA-CE1 3.41Å; L165-H168 HydrophobicContact CB-CB 4.07Å; L165-H168 PolarHBondContact O-N 2.87Å; F166-H168 PolarHBondContact O-N 3.04Å; F166-H168 PolarHBondContact O-ND1 3.32Å; H168-T170 PolarHBondContact O-N 2.76Å; H168-F286 WeakPolarHBondContact O-CE2 3.5Å
169N94.1Very high90.5Very high105 Ų10559.5 Ų59.556%0.56134%0.337SS*.  trans-71.3130.2173.3-66-16.4000109A284 T285 F286N169-A284 VanDerWaalsContact CA-O 3.3Å; N169-A284 WeakPolarHBondContact CA-O 3.39Å; N169-T285 WeakPolarHBondContact OD1-CA 3.01Å; N169-F286 PolarHBondContact OD1-N 3.27Å
170T92.3Very high90.8Very high56 Ų5656 Ų5634%0.34431%0.311SS..EExtended strand (participates in β ladder)trans-128.7148.6-179.461.20000110.5H168 K283 A284H168-T170 PolarHBondContact O-N 2.76Å; T170-K283 CarbonylContact O-C 3.57Å; T170-K283 VanDerWaalsContact O-CA 3.24Å; T170-K283 WeakPolarHBondContact O-CA 3.41Å; T170-A284 PolarHBondContact N-O 3.28Å; T170-A284 PolarHBondContact O-N 3.29Å; T170-A284 WeakPolarHBondContact OG1-CB 3.44Å
171I92.3Very high91Very high133 Ų13357.3 Ų57.368%0.68232%0.322SS*.EExtended strand (participates in β ladder)trans-133.8129.5167.5-172.2168.8000107.3T281 A282 K283I171-T281 HydrophobicContact CD1-CG2 4.22Å; I171-T281 HydrophobicContact CG1-CG2 4.06Å; I171-A282 WeakPolarHBondContact CA-O 3.37Å; I171-K283 HydrophobicContact CG1-CB 4.5Å
172S90.3Very high91.2Very high29 Ų2960 Ų6020%0.20334%0.337CS..EExtended strand (participates in β ladder)trans-135.3152177.956.40000109.6T281 A282S172-T281 CarbonylContact O-C 3.56Å; S172-T281 WeakPolarHBondContact O-CA 3.46Å; S172-A282 PolarHBondContact N-O 3.36Å; S172-A282 PolarHBondContact O-N 2.85Å
173G92.1Very high91.5Very high38 Ų3857.5 Ų57.539%0.39232%0.319SS..EExtended strand (participates in β ladder)trans-147.3153.7177.200000111.8L280G173-L280 CarbonylContact C-O 3.5Å; G173-L280 WeakPolarHBondContact CA-O 3.46Å
174C93.1Very high91.4Very high4 Ų458.3 Ų58.33%0.02732%0.323CS..EExtended strand (participates in β ladder)trans-152165.9178.461.50000111.3L146 V148 G152 C154 T279 L280L146-C174 VanDerWaalsContact CD1-SG 3.53Å; L146-C174 HydrophobicContact CD2-CB 4.31Å; L146-C174 VanDerWaalsContact CD2-SG 3.5Å; V148-C174 HydrophobicContact CG2-CB 4.24Å; G152-C174 WeakPolarHBondContact O-CA 3.37Å; C154-C174 WeakPolarHBondContact CA-SG 3.36Å; C154-C174 HydrophobicContact CB-CB 3.96Å; C154-C174 WeakPolarHBondContact CB-SG 3.26Å; C154-C174 WeakPolarHBondContact SG-CB 3.26Å; C154-C174 CovalentContact SG-SG 2.02Å; C154-C174 PolarHBondContact SG-SG 2.99Å; C174-T279 WeakPolarHBondContact O-CA 3.22Å; C174-L280 PolarHBondContact N-O 2.89Å; C174-L280 PolarHBondContact O-N 2.8Å
175T94.5Very high91.4Very high55 Ų5562.7 Ų62.734%0.33734%0.344SS..EExtended strand (participates in β ladder)trans-96.5129.3176.952.60000111.4G152 R153 C154 L278G152-T175 PolarHBondContact O-N 3.04Å; G152-T175 PolarHBondContact O-OG1 2.79Å; R153-T175 CarbonylContact C-O 3.48Å; R153-T175 WeakPolarHBondContact CA-O 3.21Å; C154-T175 PolarHBondContact N-O 2.79Å; C154-T175 PolarHBondContact SG-O 3.49Å; C154-T175 VanDerWaalsContact SG-O 3.34Å; T175-L278 CarbonylContact C-O 3.52Å; T175-L278 WeakPolarHBondContact CA-O 3.44Å
176F92.8Very high91.2Very high16 Ų1659.6 Ų59.67%0.0733%0.328CS..EExtended strand (participates in β ladder)trans-115.5135.2178.1173.5-106.1000110.2L186 Q189 I190 I193 L274 P277 L278 L280F176-L186 HydrophobicContact CE1-CD1 3.64Å; F176-L186 HydrophobicContact CE1-CG 4.4Å; F176-L186 HydrophobicContact CZ-CD1 3.99Å; F176-Q189 HydrophobicContact CE2-CB 4.2Å; F176-Q189 HydrophobicContact CZ-CB 3.96Å; F176-I190 HydrophobicContact CD1-CD1 4.13Å; F176-I190 HydrophobicContact CD1-CG1 3.86Å; F176-I190 HydrophobicContact CE1-CD1 3.85Å; F176-I190 HydrophobicContact CE1-CG1 3.54Å; F176-I190 HydrophobicContact CG-CG1 4.46Å; F176-I190 HydrophobicContact CZ-CG1 3.9Å; F176-I193 HydrophobicContact CD2-CD1 3.31Å; F176-I193 HydrophobicContact CE2-CD1 3.56Å; F176-I193 HydrophobicContact CG-CD1 4.26Å; F176-L274 HydrophobicContact CD1-CD1 4.46Å; F176-L274 HydrophobicContact CE1-CD1 4.36Å; F176-P277 CarbonylContact O-C 3.21Å; F176-P277 VanDerWaalsContact O-CA 3.3Å; F176-P277 WeakPolarHBondContact O-CA 3.4Å; F176-L278 HydrophobicContact CD1-CD1 4.3Å; F176-L278 PolarHBondContact N-O 3.46Å; F176-L278 PolarHBondContact O-N 3.11Å; F176-L280 HydrophobicContact CB-CD1 3.62Å; F176-L280 HydrophobicContact CB-CG 3.81Å; F176-L280 HydrophobicContact CG-CD1 4.06Å
177S90.6Very high91Very high52 Ų5260.3 Ų60.336%0.36433%0.33SS..  trans-139136177.4610000108.3R153R153-S177 PolarHBondContact NH2-OG 2.78Å
178S89.1Confident91Very high22 Ų2261.9 Ų61.915%0.15434%0.343CS..  trans-146.7144.7176.5-170.50000109.2T180 Q189S178-T180 WeakPolarHBondContact OG-CG2 3.49Å; S178-Q189 PolarHBondContact OG-OE1 3.43Å
179E86.3Confident90.9Very high188 Ų18860.1 Ų60.188%0.87934%0.335SS*.  trans-92.3-3.9177.7-63-177.6-178.900112
180T86.4Confident90.9Very high21 Ų2155.1 Ų55.113%0.12931%0.308CS..  trans-66139.8-179.5-168.20000111.6S178 N182 E185 L186S178-T180 WeakPolarHBondContact OG-CG2 3.49Å; T180-N182 PolarHBondContact OG1-N 3.35Å; T180-E185 HydrophobicContact CG2-CB 4.3Å; T180-E185 HydrophobicContact CG2-CG 4.4Å; T180-E185 PolarHBondContact OG1-OE2 2.93Å; T180-L186 HydrophobicContact CG2-CB 3.8Å; T180-L186 HydrophobicContact CG2-CD1 3.75Å; T180-L186 HydrophobicContact CG2-CG 4.37Å
181Q85.6Confident90.8Very high140 Ų14053.6 Ų53.665%0.65430%0.296SS*.  trans-105.721.7172.6-59.9177.311.300111C229Q181-C229 PolarHBondContact O-SG 2.87Å
182N89.7Confident90.7Very high79 Ų7950.9 Ų50.942%0.42228%0.281SS..  trans-110.6114.3176.2-173.6-36.5000109.3T180 T184 E185 L186T180-N182 PolarHBondContact OG1-N 3.35Å; N182-T184 PolarHBondContact O-N 3.16Å; N182-T184 WeakPolarHBondContact OD1-CB 3.34Å; N182-T184 PolarHBondContact OD1-N 2.93Å; N182-E185 HydrophobicContact CB-CB 3.88Å; N182-E185 PolarHBondContact O-N 2.83Å; N182-E185 PolarHBondContact OD1-N 2.92Å; N182-L186 WeakPolarHBondContact O-CB 2.82Å; N182-L186 PolarHBondContact O-N 3.4Å
183C90.2Very high90.8Very high9 Ų950 Ų506%0.06127%0.274CS..Hα-helixtrans-56.1-39.8-179.7-65.40000112.3R187 E227 C233C183-R187 VanDerWaalsContact O-CB 3.23Å; C183-R187 WeakPolarHBondContact O-CB 3.13Å; C183-R187 PolarHBondContact O-N 2.87Å; C183-E227 HydrophobicContact CB-CG 4.35Å; C183-C233 WeakPolarHBondContact CA-SG 3.4Å; C183-C233 HydrophobicContact CB-CB 3.6Å; C183-C233 WeakPolarHBondContact CB-SG 3.36Å; C183-C233 WeakPolarHBondContact SG-CB 3.45Å; C183-C233 CovalentContact SG-SG 2.03Å; C183-C233 PolarHBondContact SG-SG 3.21Å
184T91.3Very high90.7Very high85 Ų8548.3 Ų48.352%0.52126%0.256SS..Hα-helixtrans-67-43.6-179.5-57.90000111.2N182 S188N182-T184 PolarHBondContact O-N 3.16Å; N182-T184 WeakPolarHBondContact OD1-CB 3.34Å; N182-T184 PolarHBondContact OD1-N 2.93Å; T184-S188 WeakPolarHBondContact O-CB 3.15Å; T184-S188 PolarHBondContact O-N 2.75Å
185E91.6Very high90.3Very high92 Ų9251.6 Ų51.643%0.4327%0.267SS..Hα-helixtrans-65.6-46.9177.3-168.8-175.217200111.1T180 N182 R187 S188 Q189T180-E185 HydrophobicContact CG2-CB 4.3Å; T180-E185 HydrophobicContact CG2-CG 4.4Å; T180-E185 PolarHBondContact OG1-OE2 2.93Å; N182-E185 HydrophobicContact CB-CB 3.88Å; N182-E185 PolarHBondContact O-N 2.83Å; N182-E185 PolarHBondContact OD1-N 2.92Å; E185-R187 VanDerWaalsContact C-N 3.3Å; E185-R187 PolarHBondContact O-N 2.69Å; E185-S188 PolarHBondContact O-N 3.08Å; E185-S188 VanDerWaalsContact O-N 3.16Å; E185-Q189 WeakPolarHBondContact O-CG 3.43Å; E185-Q189 PolarHBondContact O-N 3.09Å; E185-Q189 PolarHBondContact OE1-NE2 3.28Å
186L91.4Very high89.8Confident0 Ų049.8 Ų49.80%026%0.26CS..Hα-helixtrans-58.2-44.2178.4-16767.9000111.4F176 T180 N182 Q189 I190 L235 C272 L274F176-L186 HydrophobicContact CE1-CD1 3.64Å; F176-L186 HydrophobicContact CE1-CG 4.4Å; F176-L186 HydrophobicContact CZ-CD1 3.99Å; T180-L186 HydrophobicContact CG2-CB 3.8Å; T180-L186 HydrophobicContact CG2-CD1 3.75Å; T180-L186 HydrophobicContact CG2-CG 4.37Å; N182-L186 WeakPolarHBondContact O-CB 2.82Å; N182-L186 PolarHBondContact O-N 3.4Å; L186-Q189 PolarHBondContact O-N 3.49Å; L186-I190 HydrophobicContact CG-CD1 4.47Å; L186-I190 VanDerWaalsContact O-CG1 3.31Å; L186-I190 WeakPolarHBondContact O-CG1 3.41Å; L186-I190 PolarHBondContact O-N 3.47Å; L186-I190 VanDerWaalsContact O-N 3.16Å; L186-L235 HydrophobicContact CB-CD2 4.18Å; L186-L235 HydrophobicContact CD2-CD1 3.34Å; L186-L235 HydrophobicContact CD2-CD2 3.88Å; L186-L235 HydrophobicContact CD2-CG 4.21Å; L186-L235 HydrophobicContact CG-CD1 3.99Å; L186-L235 HydrophobicContact CG-CD2 3.99Å; L186-C272 WeakPolarHBondContact CD2-SG 3.31Å; L186-L274 HydrophobicContact CD1-CD1 4.16Å; L186-L274 HydrophobicContact CD2-CD2 4.39Å
187R92.2Very high89Confident15 Ų1553.6 Ų53.66%0.05729%0.288CS..Hα-helixtrans-65.1-43177.1-167.1-171.8-49.7107.816111.9C183 E185 I190 Y191 E227 S234 L235C183-R187 VanDerWaalsContact O-CB 3.23Å; C183-R187 WeakPolarHBondContact O-CB 3.13Å; C183-R187 PolarHBondContact O-N 2.87Å; E185-R187 VanDerWaalsContact C-N 3.3Å; E185-R187 PolarHBondContact O-N 2.69Å; R187-I190 PolarHBondContact O-N 2.91Å; R187-Y191 HydrophobicContact CG-CD2 3.77Å; R187-Y191 HydrophobicContact CG-CE2 3.51Å; R187-Y191 VanDerWaalsContact O-CD2 3.29Å; R187-Y191 WeakPolarHBondContact O-CD2 3.41Å; R187-Y191 PolarHBondContact O-N 3.05Å; R187-E227 IonicContact CZ-OE1 3.54Å; R187-E227 IonicContact NH1-OE1 3.86Å; R187-E227 IonicContact NH2-OE1 3.86Å; R187-E227 PolarHBondContact NH2-OE1 3.34Å; R187-E227 IonicContact NH2-OE2 3.58Å; R187-E227 PolarHBondContact NH2-OE2 3.49Å; R187-S234 PolarHBondContact NE-O 3.45Å; R187-S234 VanDerWaalsContact NE-O 3.14Å; R187-L235 HydrophobicContact CB-CD2 4.11Å
188S91.8Very high88.6Confident73 Ų7353.3 Ų53.351%0.5128%0.284SS..Hα-helixtrans-61-44.5178-168.90000111.5T184 E185 I190 Y191 E192T184-S188 WeakPolarHBondContact O-CB 3.15Å; T184-S188 PolarHBondContact O-N 2.75Å; E185-S188 PolarHBondContact O-N 3.08Å; E185-S188 VanDerWaalsContact O-N 3.16Å; S188-I190 VanDerWaalsContact C-N 3.32Å; S188-I190 PolarHBondContact O-N 3Å; S188-Y191 PolarHBondContact O-N 3.48Å; S188-E192 WeakPolarHBondContact O-CB 3.49Å; S188-E192 PolarHBondContact O-N 2.7Å
189Q92.1Very high88.2Confident51 Ų5153.2 Ų53.224%0.23829%0.285CS..Hα-helixtrans-58.6-43.6176-71.1174.44.600111.4F176 S178 E185 L186 E192 I193F176-Q189 HydrophobicContact CE2-CB 4.2Å; F176-Q189 HydrophobicContact CZ-CB 3.96Å; S178-Q189 PolarHBondContact OG-OE1 3.43Å; E185-Q189 WeakPolarHBondContact O-CG 3.43Å; E185-Q189 PolarHBondContact O-N 3.09Å; E185-Q189 PolarHBondContact OE1-NE2 3.28Å; L186-Q189 PolarHBondContact O-N 3.49Å; Q189-E192 PolarHBondContact O-N 2.82Å; Q189-I193 VanDerWaalsContact O-CG1 3.28Å; Q189-I193 WeakPolarHBondContact O-CG1 3.4Å; Q189-I193 PolarHBondContact O-N 2.84Å
190I92.7Very high88.4Confident0 Ų044.4 Ų44.40%024%0.244CC..Hα-helixtrans-70.1-39179.8-60.9166.3000111.9F176 L186 R187 S188 E192 I193 F194 L235 P236 L280F176-I190 HydrophobicContact CD1-CD1 4.13Å; F176-I190 HydrophobicContact CD1-CG1 3.86Å; F176-I190 HydrophobicContact CE1-CD1 3.85Å; F176-I190 HydrophobicContact CE1-CG1 3.54Å; F176-I190 HydrophobicContact CG-CG1 4.46Å; F176-I190 HydrophobicContact CZ-CG1 3.9Å; L186-I190 HydrophobicContact CG-CD1 4.47Å; L186-I190 VanDerWaalsContact O-CG1 3.31Å; L186-I190 WeakPolarHBondContact O-CG1 3.41Å; L186-I190 PolarHBondContact O-N 3.47Å; L186-I190 VanDerWaalsContact O-N 3.16Å; R187-I190 PolarHBondContact O-N 2.91Å; S188-I190 VanDerWaalsContact C-N 3.32Å; S188-I190 PolarHBondContact O-N 3Å; I190-E192 VanDerWaalsContact C-N 3.35Å; I190-I193 PolarHBondContact O-N 3.5Å; I190-F194 HydrophobicContact CG2-CD2 3.81Å; I190-F194 HydrophobicContact CG2-CE2 3.56Å; I190-F194 HydrophobicContact CG2-CZ 4.49Å; I190-F194 WeakPolarHBondContact O-CD2 3.34Å; I190-F194 PolarHBondContact O-N 2.79Å; I190-F194 VanDerWaalsContact O-N 3.13Å; I190-L235 HydrophobicContact CD1-CB 4.07Å; I190-L235 HydrophobicContact CD1-CD1 4.08Å; I190-L235 HydrophobicContact CD1-CD2 4.24Å; I190-L235 HydrophobicContact CD1-CG 4.36Å; I190-P236 HydrophobicContact CB-CG 4.24Å; I190-P236 HydrophobicContact CG2-CG 3.85Å; I190-P236 WeakPolarHBondContact CG2-O 3.4Å; I190-L280 HydrophobicContact CG1-CD1 4.43Å; I190-L280 HydrophobicContact CG2-CD1 3.78Å; I190-L280 HydrophobicContact CG2-CD2 3.87Å; I190-L280 HydrophobicContact CG2-CG 4.49Å
191Y91.4Very high88.4Confident24 Ų2448.8 Ų48.89%0.09427%0.267CS..Hα-helixtrans-61.3-44.7173.9-83.9-58.3000111.7R187 S188 I193 F194 R195 C221 P236 F265R187-Y191 HydrophobicContact CG-CD2 3.77Å; R187-Y191 HydrophobicContact CG-CE2 3.51Å; R187-Y191 VanDerWaalsContact O-CD2 3.29Å; R187-Y191 WeakPolarHBondContact O-CD2 3.41Å; R187-Y191 PolarHBondContact O-N 3.05Å; S188-Y191 PolarHBondContact O-N 3.48Å; Y191-I193 VanDerWaalsContact C-N 3.29Å; Y191-I193 PolarHBondContact O-N 2.84Å; Y191-F194 PolarHBondContact O-N 2.91Å; Y191-R195 WeakPolarHBondContact O-CG 3.47Å; Y191-R195 PolarHBondContact O-N 2.98Å; Y191-C221 PolarHBondContact OH-N 3.1Å; Y191-C221 VanDerWaalsContact OH-N 3.08Å; Y191-C221 PolarHBondContact OH-SG 3.42Å; Y191-P236 HydrophobicContact CD1-CG 4.29Å; Y191-P236 HydrophobicContact CD2-CG 4.48Å; Y191-P236 HydrophobicContact CE1-CB 4.4Å; Y191-P236 HydrophobicContact CE1-CG 4.06Å; Y191-P236 HydrophobicContact CE2-CG 4.3Å; Y191-P236 HydrophobicContact CG-CG 4.47Å; Y191-F265 HydrophobicContact CD1-CD1 4.07Å; Y191-F265 AromaticContact CD1-CE1 3.64Å; Y191-F265 HydrophobicContact CD1-CE1 3.64Å; Y191-F265 HydrophobicContact CD1-CE2 4.23Å; Y191-F265 AromaticContact CD1-CZ 3.73Å; Y191-F265 HydrophobicContact CD1-CZ 3.73Å; Y191-F265 AromaticContact CE1-CD1 3.65Å; Y191-F265 HydrophobicContact CE1-CD1 3.65Å; Y191-F265 AromaticContact CE1-CD2 3.78Å; Y191-F265 HydrophobicContact CE1-CD2 3.78Å; Y191-F265 AromaticContact CE1-CE1 3.65Å; Y191-F265 HydrophobicContact CE1-CE1 3.65Å; Y191-F265 AromaticContact CE1-CE2 3.78Å; Y191-F265 HydrophobicContact CE1-CE2 3.78Å; Y191-F265 AromaticContact CE1-CG 3.71Å; Y191-F265 HydrophobicContact CE1-CG 3.71Å; Y191-F265 AromaticContact CE1-CZ 3.71Å; Y191-F265 HydrophobicContact CE1-CZ 3.71Å
192E90.6Very high88.7Confident76 Ų7644.7 Ų44.736%0.35525%0.248SC..Hα-helixtrans-59.3-40.7177-178.4169.7-149.400111.8S188 Q189 I190 F194 G196 S197S188-E192 WeakPolarHBondContact O-CB 3.49Å; S188-E192 PolarHBondContact O-N 2.7Å; Q189-E192 PolarHBondContact O-N 2.82Å; I190-E192 VanDerWaalsContact C-N 3.35Å; E192-F194 VanDerWaalsContact C-N 3.29Å; E192-F194 PolarHBondContact O-N 3.3Å; E192-G196 CarbonylContact O-C 3.54Å; E192-G196 WeakPolarHBondContact O-CA 3.46Å; E192-G196 PolarHBondContact O-N 3.36Å; E192-S197 PolarHBondContact OE1-OG 3.33Å
193I91.2Very high89Confident11 Ų1141 Ų416%0.05623%0.228CC..Hα-helixtrans-60.8-37.7174.4-72.9167.1000112L146 C154 F176 Q189 I190 Y191 L280L146-I193 HydrophobicContact CD1-CG2 3.24Å; C154-I193 HydrophobicContact CB-CD1 4.01Å; C154-I193 HydrophobicContact CB-CG2 3.92Å; F176-I193 HydrophobicContact CD2-CD1 3.31Å; F176-I193 HydrophobicContact CE2-CD1 3.56Å; F176-I193 HydrophobicContact CG-CD1 4.26Å; Q189-I193 VanDerWaalsContact O-CG1 3.28Å; Q189-I193 WeakPolarHBondContact O-CG1 3.4Å; Q189-I193 PolarHBondContact O-N 2.84Å; I190-I193 PolarHBondContact O-N 3.5Å; Y191-I193 VanDerWaalsContact C-N 3.29Å; Y191-I193 PolarHBondContact O-N 2.84Å; I193-L280 HydrophobicContact CD1-CD1 4.28Å; I193-L280 HydrophobicContact CG2-CD1 3.95Å
194F90.1Very high89.2Confident2 Ų240.6 Ų40.61%0.00923%0.226CC..Hα-helixtrans-80.7-43.9-176.6-80.6-47.5000114.7L146 I190 Y191 E192 P236 F239 F265 L280 A282L146-F194 HydrophobicContact CD1-CD1 4.06Å; L146-F194 HydrophobicContact CD1-CE1 4.19Å; I190-F194 HydrophobicContact CG2-CD2 3.81Å; I190-F194 HydrophobicContact CG2-CE2 3.56Å; I190-F194 HydrophobicContact CG2-CZ 4.49Å; I190-F194 WeakPolarHBondContact O-CD2 3.34Å; I190-F194 PolarHBondContact O-N 2.79Å; I190-F194 VanDerWaalsContact O-N 3.13Å; Y191-F194 PolarHBondContact O-N 2.91Å; E192-F194 VanDerWaalsContact C-N 3.29Å; E192-F194 PolarHBondContact O-N 3.3Å; F194-P236 HydrophobicContact CE2-CB 4.3Å; F194-P236 WeakPolarHBondContact CE2-O 3.32Å; F194-F239 HydrophobicContact CB-CB 4.08Å; F194-F239 HydrophobicContact CB-CD1 3.73Å; F194-F239 HydrophobicContact CB-CE1 4.3Å; F194-F239 HydrophobicContact CB-CG 3.98Å; F194-F239 HydrophobicContact CD1-CB 3.36Å; F194-F239 AromaticContact CD1-CD1 3.92Å; F194-F239 HydrophobicContact CD1-CD1 3.92Å; F194-F239 HydrophobicContact CD1-CG 4.04Å; F194-F239 HydrophobicContact CD2-CB 3.91Å; F194-F239 HydrophobicContact CE1-CB 3.62Å; F194-F239 HydrophobicContact CE2-CB 4.12Å; F194-F239 HydrophobicContact CG-CB 3.53Å; F194-F239 HydrophobicContact CG-CD1 4.03Å; F194-F239 AromaticContact CG-CG 3.99Å; F194-F239 HydrophobicContact CG-CG 3.99Å; F194-F239 HydrophobicContact CZ-CB 3.99Å; F194-F239 WeakPolarHBondContact O-CE1 3.41Å; F194-F265 HydrophobicContact CB-CE1 4.05Å; F194-F265 HydrophobicContact CD2-CD1 4.28Å; F194-F265 HydrophobicContact CD2-CE1 4.02Å; F194-F265 HydrophobicContact CG-CE1 4.32Å; F194-L280 HydrophobicContact CE1-CB 4.12Å; F194-L280 HydrophobicContact CZ-CB 3.83Å; F194-L280 HydrophobicContact CZ-CD1 4.5Å; F194-L280 HydrophobicContact CZ-CD2 4.28Å; F194-L280 HydrophobicContact CZ-CG 4.43Å; F194-A282 HydrophobicContact CD1-CB 4.25Å; F194-A282 HydrophobicContact CE1-CB 4.23Å
195R84.4Confident89.3Confident72 Ų7238.1 Ų38.127%0.27221%0.208SC..Hα-helixtrans-117.9-2-171.774.9-169.7179.5-174.62.1114.4Y191 A199 D220Y191-R195 WeakPolarHBondContact O-CG 3.47Å; Y191-R195 PolarHBondContact O-N 2.98Å; R195-A199 HydrophobicContact CG-CB 4.46Å; R195-D220 IonicContact NH1-OD1 3.61Å
196G83.7Confident89.3Confident18 Ų1833.9 Ų33.919%0.18619%0.189CC..  trans81.2179.3-168.300000112.2E192 T198E192-G196 CarbonylContact O-C 3.54Å; E192-G196 WeakPolarHBondContact O-CA 3.46Å; E192-G196 PolarHBondContact O-N 3.36Å; G196-T198 VanDerWaalsContact C-N 3.28Å; G196-T198 PolarHBondContact O-N 3.13Å
197S77.7Confident89Confident95 Ų9535.6 Ų35.666%0.66420%0.201SC*.SBendtrans-65.9-30.9-176.8-44.60000112.7E192E192-S197 PolarHBondContact OE1-OG 3.33Å
198T81.2Confident88.5Confident46 Ų4636.9 Ų36.928%0.28222%0.219SC..SBendtrans-117.3127.3176.3-510000110.1I136 D137 G196I136-T198 HydrophobicContact CG2-CG2 4.06Å; D137-T198 VanDerWaalsContact CG-CG2 3.46Å; D137-T198 WeakPolarHBondContact OD1-CG2 3.27Å; D137-T198 VanDerWaalsContact OD2-CB 3.27Å; D137-T198 WeakPolarHBondContact OD2-CB 3.47Å; D137-T198 WeakPolarHBondContact OD2-CG2 3.3Å; D137-T198 PolarHBondContact OD2-OG1 3.28Å; G196-T198 VanDerWaalsContact C-N 3.28Å; G196-T198 PolarHBondContact O-N 3.13Å
199A81.4Confident87.6Confident21 Ų2140.5 Ų40.517%0.17423%0.231CC..  trans-72.9135.9173.400000110.6R195 I218R195-A199 HydrophobicContact CG-CB 4.46Å; A199-I218 HydrophobicContact CB-CD1 4.42Å
200P88.8Confident87.1Confident2 Ų243.5 Ų43.51%0.01325%0.246CC..  trans-70.8137172.128.4-33.1000111A134 L135 I136 L143 I216 F263A134-P200 HydrophobicContact CB-CB 3.75Å; L135-P200 WeakPolarHBondContact O-CA 3.38Å; I136-P200 HydrophobicContact CG1-CB 3.89Å; L143-P200 HydrophobicContact CD1-CG 3.92Å; P200-I216 HydrophobicContact CB-CD1 3.75Å; P200-I216 HydrophobicContact CG-CD1 3.77Å; P200-F263 HydrophobicContact CG-CE2 3.61Å; P200-F263 HydrophobicContact CG-CZ 3.92Å
201D86.4Confident86.8Confident114 Ų11443.9 Ų43.961%0.6125%0.248SC*.  trans-89.5-34176.6-67.6-44.4000112L135 I216L135-D201 PolarHBondContact O-N 3.32Å; D201-I216 PolarHBondContact O-N 2.91Å
202E93.4Very high86.8Confident54 Ų5446.5 Ų46.525%0.25226%0.264SS..EExtended strand (participates in β ladder)trans-136.2150.3-172.6-60.8-171147.200111.9A134 L135 W213 T214 R215A134-E202 CarbonylContact C-O 3.52Å; A134-E202 VanDerWaalsContact CA-O 3.27Å; A134-E202 WeakPolarHBondContact CA-O 3.22Å; A134-E202 WeakPolarHBondContact CB-O 3.3Å; L135-E202 HydrophobicContact CB-CB 4.22Å; L135-E202 PolarHBondContact N-O 3.24Å; E202-W213 HydrophobicContact CB-CB 4.14Å; E202-W213 HydrophobicContact CB-CE3 4.04Å; E202-W213 VanDerWaalsContact OE2-CB 3.32Å; E202-W213 WeakPolarHBondContact OE2-CB 3.45Å; E202-T214 CarbonylContact C-O 3.49Å; E202-T214 VanDerWaalsContact CA-O 3.31Å; E202-T214 WeakPolarHBondContact CA-O 3.46Å; E202-R215 HydrophobicContact CG-CG 4.49Å
203I95Very high86.9Confident0 Ų046.4 Ų46.40%026%0.26CS..EExtended strand (participates in β ladder)trans-119.4140.4177-159.7171.8000109.8V132 M133 L143 M205 T214 I216 I243 I258 A261V132-I203 HydrophobicContact CG1-CD1 3.43Å; V132-I203 VanDerWaalsContact CG1-CD1 3.43Å; V132-I203 HydrophobicContact CG1-CG1 3.61Å; M133-I203 WeakPolarHBondContact O-CG1 2.81Å; L143-I203 HydrophobicContact CD2-CD1 4.11Å; I203-M205 PolarHBondContact O-N 3.22Å; I203-T214 HydrophobicContact CG2-CG2 3.38Å; I203-T214 PolarHBondContact N-O 3.25Å; I203-T214 PolarHBondContact O-N 2.97Å; I203-I216 HydrophobicContact CB-CD1 4.14Å; I203-I216 HydrophobicContact CB-CG1 4.05Å; I203-I216 HydrophobicContact CG2-CG1 4.34Å; I203-I243 HydrophobicContact CD1-CD1 4.07Å; I203-I243 HydrophobicContact CD1-CG1 4.36Å; I203-I258 HydrophobicContact CD1-CD1 4.47Å; I203-I258 HydrophobicContact CG2-CG2 4.06Å; I203-A261 HydrophobicContact CD1-CB 3.87Å; I203-A261 HydrophobicContact CG2-CB 4.04Å
204A94.8Very high87Confident2 Ų247.3 Ų47.32%0.01727%0.266CS..EExtended strand (participates in β ladder)trans-69.8123.3179.400000109.9M133 N206 P211 W213M133-A204 HydrophobicContact CB-CB 3.9Å; M133-A204 WeakPolarHBondContact O-CB 3.27Å; M133-A204 PolarHBondContact O-N 3.03Å; A204-N206 VanDerWaalsContact C-N 3.34Å; A204-P211 HydrophobicContact CB-CB 3.94Å; A204-P211 HydrophobicContact CB-CG 3.91Å; A204-W213 HydrophobicContact CB-CE3 4.24Å; A204-W213 HydrophobicContact CB-CH2 4.39Å; A204-W213 HydrophobicContact CB-CZ3 3.91Å
205M94.1Very high87.1Confident32 Ų3256.4 Ų56.416%0.15830%0.3CS..SBendtrans-75.5-27.6179.3-57.4-179.887.900112.2L126 I203 N212 T214 Y257 I258L126-M205 WeakPolarHBondContact CD1-O 3.44Å; I203-M205 PolarHBondContact O-N 3.22Å; M205-N212 HydrophobicContact CB-CB 4.32Å; M205-N212 WeakPolarHBondContact CB-O 3.29Å; M205-N212 HydrophobicContact CG-CB 4.48Å; M205-N212 WeakPolarHBondContact CG-O 3.43Å; M205-N212 PolarHBondContact N-O 3.07Å; M205-N212 HydrophobicContact SD-CB 4.05Å; M205-T214 HydrophobicContact CE-CG2 4.44Å; M205-T214 HydrophobicContact CG-CG2 3.71Å; M205-T214 HydrophobicContact SD-CG2 4.42Å; M205-Y257 HydrophobicContact CB-CD1 3.83Å; M205-Y257 HydrophobicContact CB-CE1 3.33Å; M205-Y257 HydrophobicContact CB-CE2 4.37Å; M205-Y257 HydrophobicContact CE-CD1 3.99Å; M205-Y257 HydrophobicContact CE-CE1 3.49Å; M205-Y257 VanDerWaalsContact CE-CE1 3.49Å; M205-Y257 HydrophobicContact CG-CE1 4.09Å; M205-Y257 WeakPolarHBondContact O-CA 3.11Å; M205-Y257 HydrophobicContact SD-CE1 3.77Å; M205-I258 WeakPolarHBondContact CB-O 3.3Å; M205-I258 WeakPolarHBondContact CE-O 3.27Å; M205-I258 PolarHBondContact O-N 2.77Å
206N90.8Very high87.6Confident4 Ų453.7 Ų53.72%0.02129%0.291CS..SBendtrans-142-179.7-177.865.3-77.6000111.9P123 V124 A204 P211 N212 Y257P123-N206 WeakPolarHBondContact CA-ND2 3.38Å; P123-N206 HydrophobicContact CB-CB 4.39Å; P123-N206 VanDerWaalsContact CB-ND2 3.3Å; P123-N206 WeakPolarHBondContact CB-ND2 3.34Å; V124-N206 WeakPolarHBondContact O-CB 3.41Å; A204-N206 VanDerWaalsContact C-N 3.34Å; N206-P211 VanDerWaalsContact O-CB 3.27Å; N206-P211 WeakPolarHBondContact O-CB 3.48Å; N206-N212 WeakPolarHBondContact OD1-CB 3.27Å; N206-N212 PolarHBondContact OD1-N 2.82Å; N206-Y257 HydrophobicContact CB-CD2 3.93Å; N206-Y257 HydrophobicContact CB-CE2 3.5Å; N206-Y257 VanDerWaalsContact CB-CE2 3.5Å; N206-Y257 PolarHBondContact OD1-OH 2.79Å
207S86.3Confident88.1Confident36 Ų3658.3 Ų58.325%0.25231%0.311SS..BIsolated β-bridgetrans-97.4154.4174-62.30000112.1V124V124-S207 PolarHBondContact N-O 2.87Å; V124-S207 WeakPolarHBondContact O-CA 3.45Å; V124-S207 WeakPolarHBondContact O-CB 3.32Å; V124-S207 PolarHBondContact O-N 3.06Å
208G80.4Confident88.8Confident42 Ų4256.8 Ų56.843%0.43330%0.295SS..SBendtrans140178.1175.900000112.4Q210G208-Q210 VanDerWaalsContact C-N 3.27Å
209L73.6Confident89.3Confident148 Ų14859 Ų5978%0.77530%0.302SS*.SBendtrans-68.9-28.2175.6-68.2171.3000112.4
210Q80.8Confident89.8Confident115 Ų11561.7 Ų61.754%0.53731%0.313SS..SBendtrans-134.581.9176.8-63.7-167.416.700108.8N120 G208N120-Q210 VanDerWaalsContact CG-CD 3.44Å; N120-Q210 PolarHBondContact ND2-OE1 2.71Å; N120-Q210 PolarHBondContact OD1-NE2 2.83Å; N120-Q210 VanDerWaalsContact OD1-NE2 3.12Å; N120-Q210 PolarHBondContact OD1-OE1 2.89Å; G208-Q210 VanDerWaalsContact C-N 3.27Å
211P87.3Confident89.9Confident8 Ų862.2 Ų62.25%0.05232%0.317CS..  trans-72.3158.7175.333.3-35.4000110.3M140 A204 N206 W213M140-P211 HydrophobicContact CE-CG 3.56Å; A204-P211 HydrophobicContact CB-CB 3.94Å; A204-P211 HydrophobicContact CB-CG 3.91Å; N206-P211 VanDerWaalsContact O-CB 3.27Å; N206-P211 WeakPolarHBondContact O-CB 3.48Å; P211-W213 HydrophobicContact CG-CH2 4.11Å; P211-W213 HydrophobicContact CG-CZ2 3.69Å; P211-W213 PolarHBondContact O-NE1 3.25Å
212N90.1Very high90Very high79 Ų7964.5 Ų64.542%0.42233%0.328SS..  trans-76.1150.9164.4-66.6-12.4000108.9M205 N206 Y257M205-N212 HydrophobicContact CB-CB 4.32Å; M205-N212 WeakPolarHBondContact CB-O 3.29Å; M205-N212 HydrophobicContact CG-CB 4.48Å; M205-N212 WeakPolarHBondContact CG-O 3.43Å; M205-N212 PolarHBondContact N-O 3.07Å; M205-N212 HydrophobicContact SD-CB 4.05Å; N206-N212 WeakPolarHBondContact OD1-CB 3.27Å; N206-N212 PolarHBondContact OD1-N 2.82Å; N212-Y257 WeakPolarHBondContact CB-OH 3.46Å; N212-Y257 PolarHBondContact ND2-OH 2.8Å
213W92.5Very high89.7Confident74 Ų7466.5 Ų66.528%0.2834%0.339SS..EExtended strand (participates in β ladder)trans-117.3145.5-173.5-60.3101.3000110.7L135 M140 E202 A204 P211L135-W213 HydrophobicContact CB-CE3 4.23Å; L135-W213 HydrophobicContact CB-CH2 4.12Å; L135-W213 HydrophobicContact CB-CZ3 3.88Å; L135-W213 HydrophobicContact CD1-CH2 4.12Å; L135-W213 HydrophobicContact CD1-CZ2 4.13Å; M140-W213 HydrophobicContact CB-CH2 4.28Å; M140-W213 HydrophobicContact CE-CH2 4.15Å; M140-W213 HydrophobicContact CE-CZ2 3.92Å; M140-W213 HydrophobicContact CG-CH2 4.04Å; E202-W213 HydrophobicContact CB-CB 4.14Å; E202-W213 HydrophobicContact CB-CE3 4.04Å; E202-W213 VanDerWaalsContact OE2-CB 3.32Å; E202-W213 WeakPolarHBondContact OE2-CB 3.45Å; A204-W213 HydrophobicContact CB-CE3 4.24Å; A204-W213 HydrophobicContact CB-CH2 4.39Å; A204-W213 HydrophobicContact CB-CZ3 3.91Å; P211-W213 HydrophobicContact CG-CH2 4.11Å; P211-W213 HydrophobicContact CG-CZ2 3.69Å; P211-W213 PolarHBondContact O-NE1 3.25Å
214T93.4Very high89.2Confident29 Ų2971 Ų7118%0.17836%0.363CS..EExtended strand (participates in β ladder)trans-130.8145.7169.4-172.50000109.5E202 I203 M205 I258 L259E202-T214 CarbonylContact C-O 3.49Å; E202-T214 VanDerWaalsContact CA-O 3.31Å; E202-T214 WeakPolarHBondContact CA-O 3.46Å; I203-T214 HydrophobicContact CG2-CG2 3.38Å; I203-T214 PolarHBondContact N-O 3.25Å; I203-T214 PolarHBondContact O-N 2.97Å; M205-T214 HydrophobicContact CE-CG2 4.44Å; M205-T214 HydrophobicContact CG-CG2 3.71Å; M205-T214 HydrophobicContact SD-CG2 4.42Å; T214-I258 HydrophobicContact CG2-CG2 4.38Å; T214-L259 PolarHBondContact OG1-O 2.83Å
215R93.2Very high88.5Confident194 Ų19476.6 Ų76.673%0.73240%0.4SS*.EExtended strand (participates in β ladder)trans-69.7144.3-177.2-73.7-179.4176.8177-2.7111.4E202E202-R215 HydrophobicContact CG-CG 4.49Å
216I94.3Very high87.9Confident14 Ų1482.7 Ų82.77%0.07243%0.428CS..EExtended strand (participates in β ladder)trans-89.4125.6172-58.9171.1000108.5P200 D201 I203 I218 A261 F263P200-I216 HydrophobicContact CB-CD1 3.75Å; P200-I216 HydrophobicContact CG-CD1 3.77Å; D201-I216 PolarHBondContact O-N 2.91Å; I203-I216 HydrophobicContact CB-CD1 4.14Å; I203-I216 HydrophobicContact CB-CG1 4.05Å; I203-I216 HydrophobicContact CG2-CG1 4.34Å; I216-I218 HydrophobicContact CG2-CG1 4.14Å; I216-I218 PolarHBondContact O-N 3.17Å; I216-A261 HydrophobicContact CG1-CB 4.31Å; I216-F263 HydrophobicContact CD1-CE1 4.42Å; I216-F263 HydrophobicContact CD1-CE2 4.41Å; I216-F263 HydrophobicContact CD1-CZ 3.95Å; I216-F263 HydrophobicContact CG2-CB 4.27Å; I216-F263 HydrophobicContact CG2-CD1 3.6Å; I216-F263 HydrophobicContact CG2-CD2 3.92Å; I216-F263 HydrophobicContact CG2-CE1 3.74Å; I216-F263 HydrophobicContact CG2-CE2 4.07Å; I216-F263 HydrophobicContact CG2-CG 3.67Å; I216-F263 HydrophobicContact CG2-CZ 3.97Å
217L93.9Very high87.7Confident116 Ų11684.4 Ų84.461%0.60744%0.436SS*.EExtended strand (participates in β ladder)trans-84.7112.2174.1-60.4-179.9000109.4A261 K262 F263L217-A261 PolarHBondContact N-O 3.18Å; L217-K262 HydrophobicContact CB-CB 4.43Å; L217-K262 HydrophobicContact CB-CG 4.27Å; L217-K262 CarbonylContact O-C 3.47Å; L217-K262 VanDerWaalsContact O-CA 3.3Å; L217-K262 WeakPolarHBondContact O-CA 3.27Å; L217-F263 PolarHBondContact O-N 3.12Å
218I92.2Very high87.6Confident62 Ų6284.9 Ų84.932%0.31844%0.439SS..EExtended strand (participates in β ladder)trans-99.8129.3-179.6-54.3176.2000109.6A199 I216 D220 F263 F265A199-I218 HydrophobicContact CB-CD1 4.42Å; I216-I218 HydrophobicContact CG2-CG1 4.14Å; I216-I218 PolarHBondContact O-N 3.17Å; I218-D220 WeakPolarHBondContact CG2-OD1 3.27Å; I218-F263 HydrophobicContact CG1-CB 4.27Å; I218-F263 HydrophobicContact CG1-CD2 4.48Å; I218-F265 HydrophobicContact CG2-CE2 4.19Å
219Q92.8Very high87.7Confident94 Ų9483.8 Ų83.844%0.43943%0.425SS..EExtended strand (participates in β ladder)trans-119.193.3173.3-176.4174.8-9.500108.9K262 F263 L264 F265Q219-K262 VanDerWaalsContact OE1-CE 3.29Å; Q219-F263 PolarHBondContact N-O 3.13Å; Q219-L264 HydrophobicContact CB-CD1 3.98Å; Q219-L264 VanDerWaalsContact CD-CD1 3.41Å; Q219-L264 HydrophobicContact CG-CD1 3.86Å; Q219-F265 PolarHBondContact O-N 3.04Å; Q219-F265 VanDerWaalsContact O-N 3.11Å
220D91.3Very high88.1Confident77 Ų7784.8 Ų84.841%0.41243%0.425SS..PPolyproline II helixtrans-78.5168.8-179.9-70.3-46.1000113R195 I218 F265R195-D220 IonicContact NH1-OD1 3.61Å; I218-D220 WeakPolarHBondContact CG2-OD1 3.27Å; D220-F265 WeakPolarHBondContact OD1-CE2 3.25Å
221C90.4Very high88.3Confident12 Ų1282.9 Ų82.98%0.08143%0.425CS..PPolyproline II helixtrans-62137.9171.2-59.70000111.9Y191 C267Y191-C221 PolarHBondContact OH-N 3.1Å; Y191-C221 VanDerWaalsContact OH-N 3.08Å; Y191-C221 PolarHBondContact OH-SG 3.42Å; C221-C267 WeakPolarHBondContact CA-SG 3.11Å; C221-C267 HydrophobicContact CB-CB 3.83Å; C221-C267 WeakPolarHBondContact CB-SG 3.12Å; C221-C267 WeakPolarHBondContact SG-CB 3.24Å; C221-C267 CovalentContact SG-SG 2.01Å; C221-C267 PolarHBondContact SG-SG 2.74Å
222L89.9Confident88.4Confident162 Ų16282.8 Ų82.885%0.84843%0.425SS*.PPolyproline II helixtrans-72.1131.4164-62.8174.6000108.8S234L222-S234 PolarHBondContact O-OG 3.3Å
223I87.6Confident88.4Confident96 Ų9679 Ų7949%0.49241%0.405SS..PPolyproline II helixtrans-102.7127.5-179.3-58.5173.9000107.9E227I223-E227 WeakPolarHBondContact CG2-OE1 3.44Å
224D83.4Confident88.4Confident94 Ų9476.1 Ų76.150%0.50340%0.396SS..PPolyproline II helixtrans-82.1120.8168.4-170.9-24.7000108.5Q226 E227D224-Q226 PolarHBondContact O-N 2.69Å; D224-Q226 VanDerWaalsContact O-N 3.1Å; D224-Q226 PolarHBondContact OD1-N 2.68Å; D224-E227 HydrophobicContact CB-CB 4.42Å; D224-E227 WeakPolarHBondContact O-CB 3.14Å; D224-E227 WeakPolarHBondContact O-CG 3.46Å; D224-E227 PolarHBondContact O-N 3.35Å; D224-E227 VanDerWaalsContact O-N 3.08Å
225P80Confident88.4Confident120 Ų12074.8 Ų74.878%0.77939%0.388SS*.THydrogen-bonded Turntrans-61.4-16.6178.4-3.78.7000114.2
226Q81.9Confident88.5Confident161 Ų16165.5 Ų65.575%0.75235%0.353SS*.THydrogen-bonded Turntrans-99.49.6178.6-61.3-65.4-26.200112.9D224 S228D224-Q226 PolarHBondContact O-N 2.69Å; D224-Q226 VanDerWaalsContact O-N 3.1Å; D224-Q226 PolarHBondContact OD1-N 2.68Å; Q226-S228 PolarHBondContact O-N 3.47Å
227E85.4Confident88.5Confident39 Ų3966 Ų6618%0.18236%0.355CS..  trans-62.4138.9179.674.7-175.8167.300111.6C183 R187 I223 D224 S234C183-E227 HydrophobicContact CB-CG 4.35Å; R187-E227 IonicContact CZ-OE1 3.54Å; R187-E227 IonicContact NH1-OE1 3.86Å; R187-E227 IonicContact NH2-OE1 3.86Å; R187-E227 PolarHBondContact NH2-OE1 3.34Å; R187-E227 IonicContact NH2-OE2 3.58Å; R187-E227 PolarHBondContact NH2-OE2 3.49Å; I223-E227 WeakPolarHBondContact CG2-OE1 3.44Å; D224-E227 HydrophobicContact CB-CB 4.42Å; D224-E227 WeakPolarHBondContact O-CB 3.14Å; D224-E227 WeakPolarHBondContact O-CG 3.46Å; D224-E227 PolarHBondContact O-N 3.35Å; D224-E227 VanDerWaalsContact O-N 3.08Å; E227-S234 PolarHBondContact OE2-N 2.84Å
228S84.3Confident88.6Confident46 Ų4661.8 Ų61.832%0.32234%0.336SS..  trans-140.3160.4172.774.10000109Q226 E230 S231 G232Q226-S228 PolarHBondContact O-N 3.47Å; S228-E230 PolarHBondContact O-N 3.16Å; S228-S231 PolarHBondContact N-OG 2.7Å; S228-S231 PolarHBondContact O-N 2.94Å; S228-S231 PolarHBondContact O-OG 3.05Å; S228-S231 VanDerWaalsContact O-OG 3.13Å; S228-S231 WeakPolarHBondContact OG-CB 3.48Å; S228-S231 PolarHBondContact OG-N 3.38Å; S228-S231 PolarHBondContact OG-OG 2.73Å; S228-G232 CarbonylContact O-C 3.59Å; S228-G232 PolarHBondContact O-N 3.32Å
229C83Confident88.7Confident20 Ų2058.9 Ų58.914%0.13532%0.321CS..THydrogen-bonded Turntrans-61-28.3178.7-84.40000113.6Q181 C233 C272Q181-C229 PolarHBondContact O-SG 2.87Å; C229-C233 VanDerWaalsContact SG-SG 3.62Å; C229-C272 HydrophobicContact CB-CB 3.72Å; C229-C272 PolarHBondContact O-N 3.3Å; C229-C272 WeakPolarHBondContact SG-CB 3.25Å
230E82.8Confident88.9Confident169 Ų16954.5 Ų54.579%0.7930%0.301SS*.THydrogen-bonded Turntrans-76.3-39.6177.3-62.9170.7174.200112S228 Q271S228-E230 PolarHBondContact O-N 3.16Å; E230-Q271 PolarHBondContact O-NE2 3.23Å; E230-Q271 VanDerWaalsContact O-NE2 3.11Å
231S85.1Confident89Confident75 Ų7551 Ų5152%0.52428%0.282SS..THydrogen-bonded Turntrans-81.1-22.817958.20000113.4S228S228-S231 PolarHBondContact N-OG 2.7Å; S228-S231 PolarHBondContact O-N 2.94Å; S228-S231 PolarHBondContact O-OG 3.05Å; S228-S231 VanDerWaalsContact O-OG 3.13Å; S228-S231 WeakPolarHBondContact OG-CB 3.48Å; S228-S231 PolarHBondContact OG-N 3.38Å; S228-S231 PolarHBondContact OG-OG 2.73Å
232G88.1Confident89.3Confident6 Ų653.8 Ų53.86%0.06229%0.294CS..  trans112.7130.4178.500000112.3S228 V270S228-G232 CarbonylContact O-C 3.59Å; S228-G232 PolarHBondContact O-N 3.32Å; G232-V270 CarbonylContact C-O 3.59Å; G232-V270 WeakPolarHBondContact CA-O 3.36Å
233C91Very high89.7Confident0 Ų046.1 Ų46.10%025%0.253CS..EExtended strand (participates in β ladder)trans-87.3135.9176.2-53.80000110.7C183 C229 L235 N269 V270 C272C183-C233 WeakPolarHBondContact CA-SG 3.4Å; C183-C233 HydrophobicContact CB-CB 3.6Å; C183-C233 WeakPolarHBondContact CB-SG 3.36Å; C183-C233 WeakPolarHBondContact SG-CB 3.45Å; C183-C233 CovalentContact SG-SG 2.03Å; C183-C233 PolarHBondContact SG-SG 3.21Å; C229-C233 VanDerWaalsContact SG-SG 3.62Å; C233-L235 HydrophobicContact CB-CD2 3.94Å; C233-L235 HydrophobicContact CB-CG 4.03Å; C233-L235 PolarHBondContact O-N 2.96Å; C233-N269 VanDerWaalsContact O-CA 3.31Å; C233-N269 WeakPolarHBondContact O-CA 3.48Å; C233-V270 PolarHBondContact N-O 3.37Å; C233-V270 PolarHBondContact O-N 2.83Å; C233-C272 VanDerWaalsContact SG-SG 3.64Å
234S92.8Very high90.2Very high13 Ų1345 Ų459%0.09125%0.248CC..EExtended strand (participates in β ladder)trans-76.6104171-179.10000109.9R187 L222 E227 N269R187-S234 PolarHBondContact NE-O 3.45Å; R187-S234 VanDerWaalsContact NE-O 3.14Å; L222-S234 PolarHBondContact O-OG 3.3Å; E227-S234 PolarHBondContact OE2-N 2.84Å; S234-N269 WeakPolarHBondContact CA-OD1 3.35Å
235L93.3Very high90.8Very high0 Ų041.1 Ų41.10%023%0.226CC..EExtended strand (participates in β ladder)trans-115.3136.6-175.2-58.2179.5000111.9L186 R187 I190 C233 L237 C267 Q268 V270 L278L186-L235 HydrophobicContact CB-CD2 4.18Å; L186-L235 HydrophobicContact CD2-CD1 3.34Å; L186-L235 HydrophobicContact CD2-CD2 3.88Å; L186-L235 HydrophobicContact CD2-CG 4.21Å; L186-L235 HydrophobicContact CG-CD1 3.99Å; L186-L235 HydrophobicContact CG-CD2 3.99Å; R187-L235 HydrophobicContact CB-CD2 4.11Å; I190-L235 HydrophobicContact CD1-CB 4.07Å; I190-L235 HydrophobicContact CD1-CD1 4.08Å; I190-L235 HydrophobicContact CD1-CD2 4.24Å; I190-L235 HydrophobicContact CD1-CG 4.36Å; C233-L235 HydrophobicContact CB-CD2 3.94Å; C233-L235 HydrophobicContact CB-CG 4.03Å; C233-L235 PolarHBondContact O-N 2.96Å; L235-L237 HydrophobicContact CB-CD2 4.41Å; L235-L237 PolarHBondContact O-N 2.79Å; L235-C267 CarbonylContact O-C 3.58Å; L235-C267 WeakPolarHBondContact O-CA 3.24Å; L235-Q268 PolarHBondContact N-O 2.86Å; L235-Q268 PolarHBondContact O-N 2.74Å; L235-V270 HydrophobicContact CD1-CB 3.82Å; L235-V270 HydrophobicContact CD1-CG1 4.34Å; L235-V270 HydrophobicContact CD1-CG2 4.11Å; L235-V270 HydrophobicContact CG-CB 4.5Å; L235-L278 HydrophobicContact CD1-CD1 3.94Å
236P94.6Very high91.5Very high0 Ų035.8 Ų35.80%019%0.192CC..EExtended strand (participates in β ladder)trans-72.3110.5172.926.8-29.4000109.6I190 Y191 F194 F265I190-P236 HydrophobicContact CB-CG 4.24Å; I190-P236 HydrophobicContact CG2-CG 3.85Å; I190-P236 WeakPolarHBondContact CG2-O 3.4Å; Y191-P236 HydrophobicContact CD1-CG 4.29Å; Y191-P236 HydrophobicContact CD2-CG 4.48Å; Y191-P236 HydrophobicContact CE1-CB 4.4Å; Y191-P236 HydrophobicContact CE1-CG 4.06Å; Y191-P236 HydrophobicContact CE2-CG 4.3Å; Y191-P236 HydrophobicContact CG-CG 4.47Å; F194-P236 HydrophobicContact CE2-CB 4.3Å; F194-P236 WeakPolarHBondContact CE2-O 3.32Å; P236-F265 HydrophobicContact CB-CB 4.13Å; P236-F265 HydrophobicContact CB-CD1 3.88Å; P236-F265 HydrophobicContact CB-CG 4.37Å
237L94.8Very high91.9Very high23 Ų2332 Ų3212%0.1217%0.171CC..EExtended strand (participates in β ladder)trans-96.8-19176.1-60.4-172.7000112.6L235 R266 Q268 V270 L278 L280 T281L235-L237 HydrophobicContact CB-CD2 4.41Å; L235-L237 PolarHBondContact O-N 2.79Å; L237-R266 PolarHBondContact N-O 2.87Å; L237-Q268 HydrophobicContact CD1-CB 3.84Å; L237-Q268 HydrophobicContact CD1-CG 4.09Å; L237-Q268 HydrophobicContact CG-CB 4.31Å; L237-V270 HydrophobicContact CD1-CG2 4.4Å; L237-L278 HydrophobicContact CD2-CB 4.34Å; L237-L278 HydrophobicContact CD2-CD1 3.97Å; L237-L278 HydrophobicContact CD2-CD2 4.41Å; L237-L278 HydrophobicContact CD2-CG 4.48Å; L237-L280 HydrophobicContact CD2-CD2 4Å; L237-L280 WeakPolarHBondContact O-CA 3.48Å; L237-T281 PolarHBondContact O-N 2.78Å
238S95.4Very high91.9Very high28 Ų2834.2 Ų34.220%0.19618%0.181CC..EExtended strand (participates in β ladder)trans-134.9139.9175.51780000112.7F265 R266 T281S238-F265 CarbonylContact O-C 3.59Å; S238-F265 WeakPolarHBondContact O-CA 3.47Å; S238-R266 PolarHBondContact N-O 3.11Å; S238-R266 PolarHBondContact O-N 2.88Å; S238-T281 CarbonylContact C-O 3.59Å; S238-T281 WeakPolarHBondContact CA-O 3.23Å; S238-T281 PolarHBondContact OG-O 2.94Å
239F95.1Very high91.8Very high1 Ų135.4 Ų35.40%0.00420%0.201CC..EExtended strand (participates in β ladder)trans-119.8127.1178176.3-137.4000110F194 I241 F263 F265 T281 A282 K283F194-F239 HydrophobicContact CB-CB 4.08Å; F194-F239 HydrophobicContact CB-CD1 3.73Å; F194-F239 HydrophobicContact CB-CE1 4.3Å; F194-F239 HydrophobicContact CB-CG 3.98Å; F194-F239 HydrophobicContact CD1-CB 3.36Å; F194-F239 AromaticContact CD1-CD1 3.92Å; F194-F239 HydrophobicContact CD1-CD1 3.92Å; F194-F239 HydrophobicContact CD1-CG 4.04Å; F194-F239 HydrophobicContact CD2-CB 3.91Å; F194-F239 HydrophobicContact CE1-CB 3.62Å; F194-F239 HydrophobicContact CE2-CB 4.12Å; F194-F239 HydrophobicContact CG-CB 3.53Å; F194-F239 HydrophobicContact CG-CD1 4.03Å; F194-F239 AromaticContact CG-CG 3.99Å; F194-F239 HydrophobicContact CG-CG 3.99Å; F194-F239 HydrophobicContact CZ-CB 3.99Å; F194-F239 WeakPolarHBondContact O-CE1 3.41Å; F239-I241 HydrophobicContact CD1-CD1 4.36Å; F239-I241 HydrophobicContact CD1-CG1 4.36Å; F239-I241 HydrophobicContact CE1-CD1 3.5Å; F239-I241 HydrophobicContact CE1-CG1 3.65Å; F239-I241 HydrophobicContact CE2-CG1 4Å; F239-I241 HydrophobicContact CZ-CD1 3.68Å; F239-I241 HydrophobicContact CZ-CG1 3.43Å; F239-I241 VanDerWaalsContact CZ-CG1 3.43Å; F239-F263 HydrophobicContact CE2-CB 3.86Å; F239-F263 AromaticContact CE2-CD2 3.9Å; F239-F263 HydrophobicContact CE2-CD2 3.9Å; F239-F263 AromaticContact CE2-CG 3.83Å; F239-F263 HydrophobicContact CE2-CG 3.83Å; F239-F263 HydrophobicContact CZ-CB 4.47Å; F239-F263 HydrophobicContact CZ-CD1 4.41Å; F239-F263 AromaticContact CZ-CD2 3.72Å; F239-F263 HydrophobicContact CZ-CD2 3.72Å; F239-F263 HydrophobicContact CZ-CE2 4.03Å; F239-F263 AromaticContact CZ-CG 3.94Å; F239-F263 HydrophobicContact CZ-CG 3.94Å; F239-F265 HydrophobicContact CB-CD1 4.21Å; F239-F265 HydrophobicContact CB-CE1 4.09Å; F239-F265 AromaticContact CD2-CD1 3.79Å; F239-F265 HydrophobicContact CD2-CD1 3.79Å; F239-F265 AromaticContact CD2-CE1 3.32Å; F239-F265 HydrophobicContact CD2-CE1 3.32Å; F239-F265 HydrophobicContact CD2-CE2 4.16Å; F239-F265 HydrophobicContact CD2-CG 4.39Å; F239-F265 AromaticContact CD2-CZ 3.53Å; F239-F265 HydrophobicContact CD2-CZ 3.53Å; F239-F265 AromaticContact CE2-CE1 3.86Å; F239-F265 HydrophobicContact CE2-CE1 3.86Å; F239-F265 HydrophobicContact CE2-CE2 4.07Å; F239-F265 AromaticContact CE2-CZ 3.54Å; F239-F265 HydrophobicContact CE2-CZ 3.54Å; F239-F265 HydrophobicContact CG-CD1 4.32Å; F239-F265 AromaticContact CG-CE1 3.82Å; F239-F265 HydrophobicContact CG-CE1 3.82Å; F239-F265 HydrophobicContact CG-CZ 4.35Å; F239-F265 HydrophobicContact CZ-CZ 4.36Å; F239-T281 PolarHBondContact N-O 3.22Å; F239-A282 HydrophobicContact CD1-CB 4.42Å; F239-A282 CarbonylContact O-C 3.57Å; F239-A282 VanDerWaalsContact O-CA 3.27Å; F239-A282 WeakPolarHBondContact O-CA 3.32Å; F239-K283 PolarHBondContact O-N 3.12Å
240S95.8Very high91.2Very high3 Ų341.4 Ų41.42%0.02123%0.225CC..EExtended strand (participates in β ladder)trans-123.2119.7-178.9-68.10000110.8L264 K283S240-L264 PolarHBondContact N-O 3.04Å; S240-L264 PolarHBondContact O-N 2.93Å; S240-K283 WeakPolarHBondContact CA-O 3.43Å; S240-K283 VanDerWaalsContact OG-CE 3.28Å; S240-K283 WeakPolarHBondContact OG-CE 3.47Å
241I95.4Very high90.6Very high2 Ų238.7 Ų38.71%0.0122%0.215CC..EExtended strand (participates in β ladder)trans-99.4116.3172.3-61.3170000107.8L143 I164 F239 I243 F263 K283 A284 T285L143-I241 HydrophobicContact CD2-CG2 4.49Å; I164-I241 HydrophobicContact CD1-CD1 3.18Å; I164-I241 HydrophobicContact CD1-CG1 4.43Å; I164-I241 HydrophobicContact CD1-CG2 4.35Å; F239-I241 HydrophobicContact CD1-CD1 4.36Å; F239-I241 HydrophobicContact CD1-CG1 4.36Å; F239-I241 HydrophobicContact CE1-CD1 3.5Å; F239-I241 HydrophobicContact CE1-CG1 3.65Å; F239-I241 HydrophobicContact CE2-CG1 4Å; F239-I241 HydrophobicContact CZ-CD1 3.68Å; F239-I241 HydrophobicContact CZ-CG1 3.43Å; F239-I241 VanDerWaalsContact CZ-CG1 3.43Å; I241-I243 HydrophobicContact CG2-CD1 3.89Å; I241-I243 HydrophobicContact CG2-CG1 3.87Å; I241-F263 HydrophobicContact CB-CD1 4.33Å; I241-F263 HydrophobicContact CB-CE1 4.28Å; I241-F263 HydrophobicContact CD1-CE1 4.31Å; I241-F263 HydrophobicContact CD1-CZ 4.5Å; I241-F263 HydrophobicContact CG1-CD1 3.89Å; I241-F263 HydrophobicContact CG1-CE1 3.84Å; I241-F263 HydrophobicContact CG1-CZ 4.42Å; I241-F263 HydrophobicContact CG2-CD1 4.1Å; I241-F263 HydrophobicContact CG2-CE1 3.71Å; I241-K283 PolarHBondContact N-O 3.06Å; I241-A284 HydrophobicContact CB-CB 4.34Å; I241-A284 CarbonylContact O-C 3.59Å; I241-A284 WeakPolarHBondContact O-CA 3.47Å; I241-T285 PolarHBondContact O-N 3.31Å; I241-T285 PolarHBondContact O-OG1 3.11Å; I241-T285 VanDerWaalsContact O-OG1 3.08Å
242Q96.6Very high89.8Confident72 Ų7238.7 Ų38.734%0.33621%0.206SC..EExtended strand (participates in β ladder)trans-112.9117.1177.6-62.5-178.5-3.200108.7A261 K262Q242-A261 CarbonylContact O-C 3.52Å; Q242-A261 VanDerWaalsContact O-CA 3.26Å; Q242-A261 WeakPolarHBondContact O-CA 3.26Å; Q242-K262 HydrophobicContact CB-CB 4.41Å; Q242-K262 PolarHBondContact N-O 3.05Å; Q242-K262 PolarHBondContact O-N 3.43Å
243I97.4Very high89.2Confident0 Ų042.7 Ų42.70%023%0.23CC..EExtended strand (participates in β ladder)trans-116.5122-178.9-61.4169.6000107.8V132 I203 I241 I258 A261 T285 F286 V287V132-I243 HydrophobicContact CG1-CD1 4.46Å; I203-I243 HydrophobicContact CD1-CD1 4.07Å; I203-I243 HydrophobicContact CD1-CG1 4.36Å; I241-I243 HydrophobicContact CG2-CD1 3.89Å; I241-I243 HydrophobicContact CG2-CG1 3.87Å; I243-I258 HydrophobicContact CG2-CB 4.42Å; I243-I258 HydrophobicContact CG2-CD1 3.95Å; I243-I258 HydrophobicContact CG2-CG1 3.76Å; I243-I258 HydrophobicContact CG2-CG2 3.85Å; I243-A261 HydrophobicContact CG1-CB 4.07Å; I243-T285 PolarHBondContact N-O 2.86Å; I243-F286 HydrophobicContact CB-CD1 3.78Å; I243-F286 HydrophobicContact CB-CE1 3.86Å; I243-F286 HydrophobicContact CD1-CD1 4.29Å; I243-F286 HydrophobicContact CD1-CE1 3.51Å; I243-F286 HydrophobicContact CD1-CZ 3.67Å; I243-F286 HydrophobicContact CG1-CE1 4.26Å; I243-F286 HydrophobicContact CG2-CD1 3.82Å; I243-F286 HydrophobicContact CG2-CE1 3.82Å; I243-F286 CarbonylContact O-C 3.6Å; I243-F286 VanDerWaalsContact O-CA 3.31Å; I243-F286 WeakPolarHBondContact O-CA 3.47Å; I243-V287 PolarHBondContact O-N 2.83Å
244I97.3Very high88.9Confident74 Ų7445 Ų4538%0.37924%0.244SC..EExtended strand (participates in β ladder)trans-97.9136.6172.454.2163.8000108.9L259 G260 V287 T289I244-L259 HydrophobicContact CD1-CB 3.98Å; I244-L259 HydrophobicContact CG1-CB 4.07Å; I244-L259 PolarHBondContact O-N 2.97Å; I244-G260 WeakPolarHBondContact CG1-O 3.3Å; I244-G260 PolarHBondContact N-O 3.44Å; I244-G260 PolarHBondContact O-N 3.13Å; I244-V287 WeakPolarHBondContact CA-O 2.84Å; I244-V287 HydrophobicContact CG2-CB 4.32Å; I244-T289 HydrophobicContact CB-CG2 4.46Å; I244-T289 HydrophobicContact CG2-CG2 4.47Å
245W96.8Very high88.7Confident12 Ų1247.9 Ų47.95%0.04526%0.256CS..EExtended strand (participates in β ladder)trans-144.8156-178.572-82.2000110.6F166 T167 R247 N256 Y257 I258 V287 E288 T289F166-W245 HydrophobicContact CE2-CB 3.96Å; F166-W245 HydrophobicContact CE2-CD2 4.15Å; F166-W245 AromaticContact CE2-CG 3.86Å; F166-W245 HydrophobicContact CE2-CG 3.86Å; F166-W245 HydrophobicContact CZ-CB 4.17Å; F166-W245 AromaticContact CZ-CD2 3.68Å; F166-W245 HydrophobicContact CZ-CD2 3.68Å; F166-W245 AromaticContact CZ-CE3 3.76Å; F166-W245 HydrophobicContact CZ-CE3 3.76Å; F166-W245 AromaticContact CZ-CG 3.88Å; F166-W245 HydrophobicContact CZ-CG 3.88Å; F166-W245 HydrophobicContact CZ-CZ3 4.42Å; T167-W245 HydrophobicContact CG2-CH2 4.46Å; T167-W245 HydrophobicContact CG2-CZ2 3.89Å; W245-R247 HydrophobicContact CZ3-CG 3.94Å; W245-N256 HydrophobicContact CE3-CB 4.19Å; W245-N256 HydrophobicContact CZ3-CB 4.16Å; W245-N256 VanDerWaalsContact CZ3-OD1 3.27Å; W245-N256 WeakPolarHBondContact CZ3-OD1 3.38Å; W245-Y257 CarbonylContact C-O 3.53Å; W245-Y257 WeakPolarHBondContact CA-O 3.37Å; W245-Y257 VanDerWaalsContact CB-O 3.3Å; W245-Y257 WeakPolarHBondContact CB-O 3.14Å; W245-I258 HydrophobicContact CB-CG1 4.29Å; W245-V287 VanDerWaalsContact CD1-O 3.26Å; W245-V287 PolarHBondContact N-O 2.94Å; W245-E288 HydrophobicContact CD2-CB 4.41Å; W245-E288 HydrophobicContact CD2-CG 4.36Å; W245-E288 HydrophobicContact CE3-CG 4.4Å; W245-E288 HydrophobicContact CH2-CB 4.18Å; W245-E288 HydrophobicContact CH2-CG 3.72Å; W245-E288 WeakPolarHBondContact CH2-OE2 3.1Å; W245-E288 HydrophobicContact CZ2-CB 3.57Å; W245-E288 HydrophobicContact CZ2-CG 3.65Å; W245-E288 HydrophobicContact CZ3-CG 4.1Å; W245-E288 CarbonylContact O-C 3.54Å; W245-E288 WeakPolarHBondContact O-CA 3.17Å; W245-T289 PolarHBondContact O-N 3.29Å; W245-T289 PolarHBondContact O-OG1 3.44Å
246A94.4Very high88.7Confident8 Ų849 Ų497%0.06626%0.263CS..EExtended strand (participates in β ladder)trans-142158.217700000110.7Y257 L259A246-Y257 PolarHBondContact N-O 2.86Å; A246-Y257 PolarHBondContact O-N 2.82Å; A246-L259 HydrophobicContact CB-CD1 3.83Å; A246-L259 HydrophobicContact CB-CD2 4.39Å; A246-L259 HydrophobicContact CB-CG 4.23Å
247R90.7Very high88.7Confident82 Ų8250.4 Ų50.431%0.30927%0.268SS..EExtended strand (participates in β ladder)trans-80.4123.4166.1-67178.4-147.9175.17.2108.7W245 P254 Q255 E288 T290 Y292W245-R247 HydrophobicContact CZ3-CG 3.94Å; R247-P254 HydrophobicContact CB-CB 3.7Å; R247-P254 HydrophobicContact CG-CB 4.05Å; R247-Q255 CarbonylContact C-O 3.55Å; R247-Q255 WeakPolarHBondContact CA-O 3.41Å; R247-E288 IonicContact CZ-OE1 3Å; R247-E288 IonicContact CZ-OE2 3.79Å; R247-E288 IonicContact NE-OE1 2.99Å; R247-E288 PolarHBondContact NE-OE1 3.38Å; R247-E288 IonicContact NE-OE2 3.66Å; R247-E288 IonicContact NH2-OE1 2.91Å; R247-E288 PolarHBondContact NH2-OE1 3.01Å; R247-E288 IonicContact NH2-OE2 3.51Å; R247-E288 PolarHBondContact NH2-OE2 3.48Å; R247-T290 HydrophobicContact CB-CG2 3.77Å; R247-T290 HydrophobicContact CG-CG2 4.47Å; R247-T290 PolarHBondContact N-OG1 3.36Å; R247-Y292 PolarHBondContact NH1-OH 2.8Å
248Q86.2Confident88.8Confident85 Ų8549.3 Ų49.340%0.39726%0.262SS..EExtended strand (participates in β ladder)trans-117151.3176.6-62.8-170.430.600110.7Q255 L259Q248-Q255 PolarHBondContact N-O 3.23Å; Q248-Q255 PolarHBondContact O-N 3.42Å; Q248-L259 VanDerWaalsContact NE2-CD2 3.32Å
249G80.9Confident88.7Confident71 Ų7150.8 Ų50.873%0.73227%0.268SS*.SBendtrans102.1-159.8-179.500000112.8
250F71.8Confident88.7Confident145 Ų14551.3 Ų51.364%0.63627%0.273SS*.  trans-65.2142.8-179.6-62.2-74.9000111E252 V253 P254F250-E252 PolarHBondContact O-N 2.87Å; F250-E252 VanDerWaalsContact O-N 3.08Å; F250-V253 CarbonylContact O-C 3.59Å; F250-V253 PolarHBondContact O-N 3.02Å; F250-V253 VanDerWaalsContact O-N 3.09Å; F250-P254 WeakPolarHBondContact O-CA 3.28Å; F250-P254 VanDerWaalsContact O-N 3.11Å
251I69.9Low88.7Confident112 Ų11251.5 Ų51.557%0.57428%0.275SS*.THydrogen-bonded Turntrans-55.1-31.3-179.3-65174.9000111.6P254 P293I251-P254 WeakPolarHBondContact O-CD 3.46Å; I251-P293 HydrophobicContact CD1-CG 4.26Å
252E66.9Low88.7Confident75 Ų7554.8 Ų54.835%0.3529%0.289SS..THydrogen-bonded Turntrans-86.5-24.7-174.6-58.1156.5123.200112.9F250 P307 F308 G309F250-E252 PolarHBondContact O-N 2.87Å; F250-E252 VanDerWaalsContact O-N 3.08Å; E252-P307 VanDerWaalsContact CD-CB 3.42Å; E252-P307 HydrophobicContact CG-CB 4.33Å; E252-P307 WeakPolarHBondContact OE1-CA 3.36Å; E252-P307 WeakPolarHBondContact OE1-CB 3.38Å; E252-F308 WeakPolarHBondContact OE1-CA 3.42Å; E252-F308 PolarHBondContact OE1-N 3.07Å; E252-F308 WeakPolarHBondContact OE2-CB 3.13Å; E252-F308 PolarHBondContact OE2-N 3.01Å; E252-G309 PolarHBondContact OE1-N 2.93Å
253V76.7Confident88.6Confident91 Ų9151.4 Ų51.455%0.55227%0.273SS*.SBendtrans-132.459178.7-164.10000110F250 Q255F250-V253 CarbonylContact O-C 3.59Å; F250-V253 PolarHBondContact O-N 3.02Å; F250-V253 VanDerWaalsContact O-N 3.09Å; V253-Q255 PolarHBondContact O-N 2.8Å
254P83.3Confident88.5Confident48 Ų4852.8 Ų52.831%0.31228%0.28SS..PPolyproline II helixtrans-67.6135.8-177.425-30.5000110.6R247 F250 I251R247-P254 HydrophobicContact CB-CB 3.7Å; R247-P254 HydrophobicContact CG-CB 4.05Å; F250-P254 WeakPolarHBondContact O-CA 3.28Å; F250-P254 VanDerWaalsContact O-N 3.11Å; I251-P254 WeakPolarHBondContact O-CD 3.46Å
255Q89.5Confident88.4Confident73 Ų7349.7 Ų49.734%0.34126%0.264SS..EExtended strand (participates in β ladder)trans-101.2131172.9-61.5-57.2-59.300109.5R247 Q248 V253R247-Q255 CarbonylContact C-O 3.55Å; R247-Q255 WeakPolarHBondContact CA-O 3.41Å; Q248-Q255 PolarHBondContact N-O 3.23Å; Q248-Q255 PolarHBondContact O-N 3.42Å; V253-Q255 PolarHBondContact O-N 2.8Å
256N93.4Very high88.3Confident25 Ų2556.6 Ų56.613%0.13429%0.29CS..EExtended strand (participates in β ladder)trans-76.1131.9177.3-53.5-50.5000110.3G125 L126 F166 W245G125-N256 CarbonylContact C-O 3.55Å; G125-N256 WeakPolarHBondContact CA-O 3.46Å; L126-N256 HydrophobicContact CB-CB 4.21Å; L126-N256 PolarHBondContact N-O 3.18Å; L126-N256 WeakPolarHBondContact O-CB 3.49Å; L126-N256 PolarHBondContact O-ND2 2.9Å; F166-N256 HydrophobicContact CE1-CB 3.57Å; F166-N256 HydrophobicContact CZ-CB 3.77Å; W245-N256 HydrophobicContact CE3-CB 4.19Å; W245-N256 HydrophobicContact CZ3-CB 4.16Å; W245-N256 VanDerWaalsContact CZ3-OD1 3.27Å; W245-N256 WeakPolarHBondContact CZ3-OD1 3.38Å
257Y94.6Very high88.3Confident29 Ų2958.4 Ų58.411%0.11430%0.302CS..EExtended strand (participates in β ladder)trans-136.7127.2-175.2-144.5-100.1000110.4M205 N206 N212 W245 A246 L259M205-Y257 HydrophobicContact CB-CD1 3.83Å; M205-Y257 HydrophobicContact CB-CE1 3.33Å; M205-Y257 HydrophobicContact CB-CE2 4.37Å; M205-Y257 HydrophobicContact CE-CD1 3.99Å; M205-Y257 HydrophobicContact CE-CE1 3.49Å; M205-Y257 VanDerWaalsContact CE-CE1 3.49Å; M205-Y257 HydrophobicContact CG-CE1 4.09Å; M205-Y257 WeakPolarHBondContact O-CA 3.11Å; M205-Y257 HydrophobicContact SD-CE1 3.77Å; N206-Y257 HydrophobicContact CB-CD2 3.93Å; N206-Y257 HydrophobicContact CB-CE2 3.5Å; N206-Y257 VanDerWaalsContact CB-CE2 3.5Å; N206-Y257 PolarHBondContact OD1-OH 2.79Å; N212-Y257 WeakPolarHBondContact CB-OH 3.46Å; N212-Y257 PolarHBondContact ND2-OH 2.8Å; W245-Y257 CarbonylContact C-O 3.53Å; W245-Y257 WeakPolarHBondContact CA-O 3.37Å; W245-Y257 VanDerWaalsContact CB-O 3.3Å; W245-Y257 WeakPolarHBondContact CB-O 3.14Å; A246-Y257 PolarHBondContact N-O 2.86Å; A246-Y257 PolarHBondContact O-N 2.82Å; Y257-L259 HydrophobicContact CD1-CD2 4.48Å
258I96.2Very high88.4Confident0 Ų060.4 Ų60.40%032%0.315CS..EExtended strand (participates in β ladder)trans-74.9128.9170.1-72.7166.3000108L126 V132 F166 I203 M205 T214 I243 W245L126-I258 HydrophobicContact CD1-CB 4.19Å; L126-I258 HydrophobicContact CD1-CD1 3.51Å; L126-I258 HydrophobicContact CD1-CG1 3.48Å; L126-I258 VanDerWaalsContact CD1-CG1 3.48Å; V132-I258 HydrophobicContact CG1-CD1 3.99Å; V132-I258 HydrophobicContact CG2-CD1 4.46Å; F166-I258 HydrophobicContact CD2-CD1 4.16Å; F166-I258 HydrophobicContact CD2-CG1 4.26Å; F166-I258 HydrophobicContact CE2-CD1 4.27Å; F166-I258 HydrophobicContact CE2-CG1 3.86Å; I203-I258 HydrophobicContact CD1-CD1 4.47Å; I203-I258 HydrophobicContact CG2-CG2 4.06Å; M205-I258 WeakPolarHBondContact CB-O 3.3Å; M205-I258 WeakPolarHBondContact CE-O 3.27Å; M205-I258 PolarHBondContact O-N 2.77Å; T214-I258 HydrophobicContact CG2-CG2 4.38Å; I243-I258 HydrophobicContact CG2-CB 4.42Å; I243-I258 HydrophobicContact CG2-CD1 3.95Å; I243-I258 HydrophobicContact CG2-CG1 3.76Å; I243-I258 HydrophobicContact CG2-CG2 3.85Å; W245-I258 HydrophobicContact CB-CG1 4.29Å
259L94.5Very high88.6Confident59 Ų5962.1 Ų62.131%0.30933%0.327SS..EExtended strand (participates in β ladder)trans-91.9-31.4178.8-56.7-177.5000111.5T214 I244 A246 Q248 Y257 T289T214-L259 PolarHBondContact OG1-O 2.83Å; I244-L259 HydrophobicContact CD1-CB 3.98Å; I244-L259 HydrophobicContact CG1-CB 4.07Å; I244-L259 PolarHBondContact O-N 2.97Å; A246-L259 HydrophobicContact CB-CD1 3.83Å; A246-L259 HydrophobicContact CB-CD2 4.39Å; A246-L259 HydrophobicContact CB-CG 4.23Å; Q248-L259 VanDerWaalsContact NE2-CD2 3.32Å; Y257-L259 HydrophobicContact CD1-CD2 4.48Å; L259-T289 WeakPolarHBondContact CD1-OG1 2.98Å
260G94.6Very high89Confident12 Ų1259.9 Ų59.912%0.12430%0.299CS..EExtended strand (participates in β ladder)trans-179.3164.7-178.700000112.4I244I244-G260 WeakPolarHBondContact CG1-O 3.3Å; I244-G260 PolarHBondContact N-O 3.44Å; I244-G260 PolarHBondContact O-N 3.13Å
261A96Very high89.8Confident6 Ų659.3 Ų59.35%0.0530%0.298CS..EExtended strand (participates in β ladder)trans-135.3146.7175.100000111.1I203 I216 L217 Q242 I243I203-A261 HydrophobicContact CD1-CB 3.87Å; I203-A261 HydrophobicContact CG2-CB 4.04Å; I216-A261 HydrophobicContact CG1-CB 4.31Å; L217-A261 PolarHBondContact N-O 3.18Å; Q242-A261 CarbonylContact O-C 3.52Å; Q242-A261 VanDerWaalsContact O-CA 3.26Å; Q242-A261 WeakPolarHBondContact O-CA 3.26Å; I243-A261 HydrophobicContact CG1-CB 4.07Å
262K95.1Very high90.4Very high72 Ų7254.7 Ų54.731%0.31328%0.276SS..EExtended strand (participates in β ladder)trans-128.8129.2175.4-176.9177.6-179.9177.30110.2L217 Q219 Q242L217-K262 HydrophobicContact CB-CB 4.43Å; L217-K262 HydrophobicContact CB-CG 4.27Å; L217-K262 CarbonylContact O-C 3.47Å; L217-K262 VanDerWaalsContact O-CA 3.3Å; L217-K262 WeakPolarHBondContact O-CA 3.27Å; Q219-K262 VanDerWaalsContact OE1-CE 3.29Å; Q242-K262 HydrophobicContact CB-CB 4.41Å; Q242-K262 PolarHBondContact N-O 3.05Å; Q242-K262 PolarHBondContact O-N 3.43Å
263F94.8Very high90.9Very high1 Ų155 Ų550%0.00428%0.284CS..EExtended strand (participates in β ladder)trans-104.1122.2174.9-77.216000108.3L143 P200 I216 L217 I218 Q219 F239 I241L143-F263 HydrophobicContact CD1-CZ 3.82Å; L143-F263 HydrophobicContact CD2-CE1 4.3Å; L143-F263 HydrophobicContact CD2-CZ 4.05Å; P200-F263 HydrophobicContact CG-CE2 3.61Å; P200-F263 HydrophobicContact CG-CZ 3.92Å; I216-F263 HydrophobicContact CD1-CE1 4.42Å; I216-F263 HydrophobicContact CD1-CE2 4.41Å; I216-F263 HydrophobicContact CD1-CZ 3.95Å; I216-F263 HydrophobicContact CG2-CB 4.27Å; I216-F263 HydrophobicContact CG2-CD1 3.6Å; I216-F263 HydrophobicContact CG2-CD2 3.92Å; I216-F263 HydrophobicContact CG2-CE1 3.74Å; I216-F263 HydrophobicContact CG2-CE2 4.07Å; I216-F263 HydrophobicContact CG2-CG 3.67Å; I216-F263 HydrophobicContact CG2-CZ 3.97Å; L217-F263 PolarHBondContact O-N 3.12Å; I218-F263 HydrophobicContact CG1-CB 4.27Å; I218-F263 HydrophobicContact CG1-CD2 4.48Å; Q219-F263 PolarHBondContact N-O 3.13Å; F239-F263 HydrophobicContact CE2-CB 3.86Å; F239-F263 AromaticContact CE2-CD2 3.9Å; F239-F263 HydrophobicContact CE2-CD2 3.9Å; F239-F263 AromaticContact CE2-CG 3.83Å; F239-F263 HydrophobicContact CE2-CG 3.83Å; F239-F263 HydrophobicContact CZ-CB 4.47Å; F239-F263 HydrophobicContact CZ-CD1 4.41Å; F239-F263 AromaticContact CZ-CD2 3.72Å; F239-F263 HydrophobicContact CZ-CD2 3.72Å; F239-F263 HydrophobicContact CZ-CE2 4.03Å; F239-F263 AromaticContact CZ-CG 3.94Å; F239-F263 HydrophobicContact CZ-CG 3.94Å; I241-F263 HydrophobicContact CB-CD1 4.33Å; I241-F263 HydrophobicContact CB-CE1 4.28Å; I241-F263 HydrophobicContact CD1-CE1 4.31Å; I241-F263 HydrophobicContact CD1-CZ 4.5Å; I241-F263 HydrophobicContact CG1-CD1 3.89Å; I241-F263 HydrophobicContact CG1-CE1 3.84Å; I241-F263 HydrophobicContact CG1-CZ 4.42Å; I241-F263 HydrophobicContact CG2-CD1 4.1Å; I241-F263 HydrophobicContact CG2-CE1 3.71Å
264L95.2Very high91.1Very high28 Ų2852 Ų5215%0.14727%0.265CS..EExtended strand (participates in β ladder)trans-125.8121.7-176175.371.5000110Q219 S240Q219-L264 HydrophobicContact CB-CD1 3.98Å; Q219-L264 VanDerWaalsContact CD-CD1 3.41Å; Q219-L264 HydrophobicContact CG-CD1 3.86Å; S240-L264 PolarHBondContact N-O 3.04Å; S240-L264 PolarHBondContact O-N 2.93Å
265F94.9Very high91Very high10 Ų1055.7 Ų55.74%0.04429%0.292CS..EExtended strand (participates in β ladder)trans-97.2131.2171.4-63.6-83.9000110.2Y191 F194 I218 Q219 D220 P236 S238 F239Y191-F265 HydrophobicContact CD1-CD1 4.07Å; Y191-F265 AromaticContact CD1-CE1 3.64Å; Y191-F265 HydrophobicContact CD1-CE1 3.64Å; Y191-F265 HydrophobicContact CD1-CE2 4.23Å; Y191-F265 AromaticContact CD1-CZ 3.73Å; Y191-F265 HydrophobicContact CD1-CZ 3.73Å; Y191-F265 AromaticContact CE1-CD1 3.65Å; Y191-F265 HydrophobicContact CE1-CD1 3.65Å; Y191-F265 AromaticContact CE1-CD2 3.78Å; Y191-F265 HydrophobicContact CE1-CD2 3.78Å; Y191-F265 AromaticContact CE1-CE1 3.65Å; Y191-F265 HydrophobicContact CE1-CE1 3.65Å; Y191-F265 AromaticContact CE1-CE2 3.78Å; Y191-F265 HydrophobicContact CE1-CE2 3.78Å; Y191-F265 AromaticContact CE1-CG 3.71Å; Y191-F265 HydrophobicContact CE1-CG 3.71Å; Y191-F265 AromaticContact CE1-CZ 3.71Å; Y191-F265 HydrophobicContact CE1-CZ 3.71Å; F194-F265 HydrophobicContact CB-CE1 4.05Å; F194-F265 HydrophobicContact CD2-CD1 4.28Å; F194-F265 HydrophobicContact CD2-CE1 4.02Å; F194-F265 HydrophobicContact CG-CE1 4.32Å; I218-F265 HydrophobicContact CG2-CE2 4.19Å; Q219-F265 PolarHBondContact O-N 3.04Å; Q219-F265 VanDerWaalsContact O-N 3.11Å; D220-F265 WeakPolarHBondContact OD1-CE2 3.25Å; P236-F265 HydrophobicContact CB-CB 4.13Å; P236-F265 HydrophobicContact CB-CD1 3.88Å; P236-F265 HydrophobicContact CB-CG 4.37Å; S238-F265 CarbonylContact O-C 3.59Å; S238-F265 WeakPolarHBondContact O-CA 3.47Å; F239-F265 HydrophobicContact CB-CD1 4.21Å; F239-F265 HydrophobicContact CB-CE1 4.09Å; F239-F265 AromaticContact CD2-CD1 3.79Å; F239-F265 HydrophobicContact CD2-CD1 3.79Å; F239-F265 AromaticContact CD2-CE1 3.32Å; F239-F265 HydrophobicContact CD2-CE1 3.32Å; F239-F265 HydrophobicContact CD2-CE2 4.16Å; F239-F265 HydrophobicContact CD2-CG 4.39Å; F239-F265 AromaticContact CD2-CZ 3.53Å; F239-F265 HydrophobicContact CD2-CZ 3.53Å; F239-F265 AromaticContact CE2-CE1 3.86Å; F239-F265 HydrophobicContact CE2-CE1 3.86Å; F239-F265 HydrophobicContact CE2-CE2 4.07Å; F239-F265 AromaticContact CE2-CZ 3.54Å; F239-F265 HydrophobicContact CE2-CZ 3.54Å; F239-F265 HydrophobicContact CG-CD1 4.32Å; F239-F265 AromaticContact CG-CE1 3.82Å; F239-F265 HydrophobicContact CG-CE1 3.82Å; F239-F265 HydrophobicContact CG-CZ 4.35Å; F239-F265 HydrophobicContact CZ-CZ 4.36Å
266R95.3Very high90.8Very high157 Ų15755.6 Ų55.659%0.59230%0.299SS*.EExtended strand (participates in β ladder)trans-103.7119.7169.7-70-174.3176.2-169.8-2.7108.8L237 S238L237-R266 PolarHBondContact N-O 2.87Å; S238-R266 PolarHBondContact N-O 3.11Å; S238-R266 PolarHBondContact O-N 2.88Å
267C94.1Very high90.7Very high45 Ų4558.3 Ų58.330%0.30432%0.318SS..EExtended strand (participates in β ladder)trans-110.2146-168.8-390000110.3C221 L235C221-C267 WeakPolarHBondContact CA-SG 3.11Å; C221-C267 HydrophobicContact CB-CB 3.83Å; C221-C267 WeakPolarHBondContact CB-SG 3.12Å; C221-C267 WeakPolarHBondContact SG-CB 3.24Å; C221-C267 CovalentContact SG-SG 2.01Å; C221-C267 PolarHBondContact SG-SG 2.74Å; L235-C267 CarbonylContact O-C 3.58Å; L235-C267 WeakPolarHBondContact O-CA 3.24Å
268Q92.1Very high90.6Very high124 Ų12457.8 Ų57.858%0.57932%0.317SS*.EExtended strand (participates in β ladder)trans-135.5149.4176-64.8-173.66.800108.9L235 L237L235-Q268 PolarHBondContact N-O 2.86Å; L235-Q268 PolarHBondContact O-N 2.74Å; L237-Q268 HydrophobicContact CD1-CB 3.84Å; L237-Q268 HydrophobicContact CD1-CG 4.09Å; L237-Q268 HydrophobicContact CG-CB 4.31Å
269N90.9Very high90.5Very high122 Ų12262.1 Ų62.165%0.65234%0.344SS*.EExtended strand (participates in β ladder)trans-80.6125.5174.5-75.3-8.7000109.7C233 S234C233-N269 VanDerWaalsContact O-CA 3.31Å; C233-N269 WeakPolarHBondContact O-CA 3.48Å; S234-N269 WeakPolarHBondContact CA-OD1 3.35Å
270V90.1Very high90.5Very high24 Ų2459.3 Ų59.315%0.14533%0.329CS..EExtended strand (participates in β ladder)trans-129.9129.2-178.1-177.50000108.9G232 C233 L235 L237 L274 L278G232-V270 CarbonylContact C-O 3.59Å; G232-V270 WeakPolarHBondContact CA-O 3.36Å; C233-V270 PolarHBondContact N-O 3.37Å; C233-V270 PolarHBondContact O-N 2.83Å; L235-V270 HydrophobicContact CD1-CB 3.82Å; L235-V270 HydrophobicContact CD1-CG1 4.34Å; L235-V270 HydrophobicContact CD1-CG2 4.11Å; L235-V270 HydrophobicContact CG-CB 4.5Å; L237-V270 HydrophobicContact CD1-CG2 4.4Å; V270-L274 HydrophobicContact CG1-CD2 3.58Å; V270-L278 HydrophobicContact CG1-CD1 4.44Å; V270-L278 HydrophobicContact CG1-CD2 3.98Å; V270-L278 HydrophobicContact CG2-CD2 4.31Å
271Q88.6Confident90.5Very high133 Ų13360.9 Ų60.962%0.62134%0.336SS*.  trans-78148.1174.9-70.1178.7-3600111.2E230E230-Q271 PolarHBondContact O-NE2 3.23Å; E230-Q271 VanDerWaalsContact O-NE2 3.11Å
272C80.6Confident90.4Very high15 Ų1560.7 Ų60.710%0.10134%0.335CS..SBendtrans-124.3152-179.6-58.20000111L186 C229 C233L186-C272 WeakPolarHBondContact CD2-SG 3.31Å; C229-C272 HydrophobicContact CB-CB 3.72Å; C229-C272 PolarHBondContact O-N 3.3Å; C229-C272 WeakPolarHBondContact SG-CB 3.25Å; C233-C272 VanDerWaalsContact SG-SG 3.64Å
273P78.1Confident90.4Very high82 Ų8260.7 Ų60.753%0.53234%0.335SS..SBendcis-66.3151.2228.7-35.3000112.3S275P273-S275 PolarHBondContact O-N 3.01Å
274L82.3Confident90.4Very high28 Ų2860.7 Ų60.715%0.14734%0.335CS..  trans-61.5112.1-176-65.2176.7000110.2F176 L186 V270 S276 L278F176-L274 HydrophobicContact CD1-CD1 4.46Å; F176-L274 HydrophobicContact CE1-CD1 4.36Å; L186-L274 HydrophobicContact CD1-CD1 4.16Å; L186-L274 HydrophobicContact CD2-CD2 4.39Å; V270-L274 HydrophobicContact CG1-CD2 3.58Å; L274-S276 PolarHBondContact O-N 2.98Å; L274-L278 HydrophobicContact CD1-CD1 3.94Å; L274-L278 HydrophobicContact CD1-CG 4.14Å; L274-L278 HydrophobicContact CD2-CD1 3.67Å; L274-L278 HydrophobicContact CD2-CD2 4.25Å; L274-L278 HydrophobicContact CD2-CG 3.93Å; L274-L278 HydrophobicContact CG-CD1 4.49Å
275S80.1Confident90.5Very high125 Ų12560.9 Ų60.987%0.87434%0.338SS*.SBendtrans-67.5-24.7178.357.40000112.9P273P273-S275 PolarHBondContact O-N 3.01Å
276S85.3Confident90.6Very high71 Ų7161.3 Ų61.350%0.49734%0.339SS..SBendtrans-147.8152.7177.456.40000110.4L274 L278L274-S276 PolarHBondContact O-N 2.98Å; S276-L278 PolarHBondContact O-N 2.92Å
277P90.5Very high90.7Very high81 Ų8157.5 Ų57.553%0.52633%0.333SS..  trans-55137173.2-23.633.6000112F176F176-P277 CarbonylContact O-C 3.21Å; F176-P277 VanDerWaalsContact O-CA 3.3Å; F176-P277 WeakPolarHBondContact O-CA 3.4Å
278L92.7Very high90.7Very high19 Ų1959 Ų5910%0.09934%0.336CS..EExtended strand (participates in β ladder)trans-82.5141.3176.2-64.2175.2000110.1T175 F176 L235 L237 V270 L274 S276T175-L278 CarbonylContact C-O 3.52Å; T175-L278 WeakPolarHBondContact CA-O 3.44Å; F176-L278 HydrophobicContact CD1-CD1 4.3Å; F176-L278 PolarHBondContact N-O 3.46Å; F176-L278 PolarHBondContact O-N 3.11Å; L235-L278 HydrophobicContact CD1-CD1 3.94Å; L237-L278 HydrophobicContact CD2-CB 4.34Å; L237-L278 HydrophobicContact CD2-CD1 3.97Å; L237-L278 HydrophobicContact CD2-CD2 4.41Å; L237-L278 HydrophobicContact CD2-CG 4.48Å; V270-L278 HydrophobicContact CG1-CD1 4.44Å; V270-L278 HydrophobicContact CG1-CD2 3.98Å; V270-L278 HydrophobicContact CG2-CD2 4.31Å; L274-L278 HydrophobicContact CD1-CD1 3.94Å; L274-L278 HydrophobicContact CD1-CG 4.14Å; L274-L278 HydrophobicContact CD2-CD1 3.67Å; L274-L278 HydrophobicContact CD2-CD2 4.25Å; L274-L278 HydrophobicContact CD2-CG 3.93Å; L274-L278 HydrophobicContact CG-CD1 4.49Å; S276-L278 PolarHBondContact O-N 2.92Å
279T93.9Very high90.8Very high90 Ų9055.8 Ų55.855%0.55233%0.325SS*.EExtended strand (participates in β ladder)trans-92.9113171.4-57.60000109.2C174C174-T279 WeakPolarHBondContact O-CA 3.22Å
280L95.3Very high90.8Very high0 Ų051.3 Ų51.30%030%0.302CS..EExtended strand (participates in β ladder)trans-93.1134.3175.1-58.2-173.6000109.4G173 C174 F176 I190 I193 F194 L237G173-L280 CarbonylContact C-O 3.5Å; G173-L280 WeakPolarHBondContact CA-O 3.46Å; C174-L280 PolarHBondContact N-O 2.89Å; C174-L280 PolarHBondContact O-N 2.8Å; F176-L280 HydrophobicContact CB-CD1 3.62Å; F176-L280 HydrophobicContact CB-CG 3.81Å; F176-L280 HydrophobicContact CG-CD1 4.06Å; I190-L280 HydrophobicContact CG1-CD1 4.43Å; I190-L280 HydrophobicContact CG2-CD1 3.78Å; I190-L280 HydrophobicContact CG2-CD2 3.87Å; I190-L280 HydrophobicContact CG2-CG 4.49Å; I193-L280 HydrophobicContact CD1-CD1 4.28Å; I193-L280 HydrophobicContact CG2-CD1 3.95Å; F194-L280 HydrophobicContact CE1-CB 4.12Å; F194-L280 HydrophobicContact CZ-CB 3.83Å; F194-L280 HydrophobicContact CZ-CD1 4.5Å; F194-L280 HydrophobicContact CZ-CD2 4.28Å; F194-L280 HydrophobicContact CZ-CG 4.43Å; L237-L280 HydrophobicContact CD2-CD2 4Å; L237-L280 WeakPolarHBondContact O-CA 3.48Å
281T94.7Very high90.5Very high45 Ų4556.5 Ų56.528%0.27633%0.334SS..EExtended strand (participates in β ladder)trans-127.1123.2-179.1-53.30000111.6I171 S172 L237 S238 F239I171-T281 HydrophobicContact CD1-CG2 4.22Å; I171-T281 HydrophobicContact CG1-CG2 4.06Å; S172-T281 CarbonylContact O-C 3.56Å; S172-T281 WeakPolarHBondContact O-CA 3.46Å; L237-T281 PolarHBondContact O-N 2.78Å; S238-T281 CarbonylContact C-O 3.59Å; S238-T281 WeakPolarHBondContact CA-O 3.23Å; S238-T281 PolarHBondContact OG-O 2.94Å; F239-T281 PolarHBondContact N-O 3.22Å
282A94Very high90.1Very high3 Ų356 Ų563%0.02533%0.327CS..EExtended strand (participates in β ladder)trans-107.2141.7171.700000110.7L146 I171 S172 F194 F239L146-A282 HydrophobicContact CB-CB 3.66Å; L146-A282 HydrophobicContact CD2-CB 4.18Å; I171-A282 WeakPolarHBondContact CA-O 3.37Å; S172-A282 PolarHBondContact N-O 3.36Å; S172-A282 PolarHBondContact O-N 2.85Å; F194-A282 HydrophobicContact CD1-CB 4.25Å; F194-A282 HydrophobicContact CE1-CB 4.23Å; F239-A282 HydrophobicContact CD1-CB 4.42Å; F239-A282 CarbonylContact O-C 3.57Å; F239-A282 VanDerWaalsContact O-CA 3.27Å; F239-A282 WeakPolarHBondContact O-CA 3.32Å
283K94.9Very high89.6Confident71 Ų7159.8 Ų59.831%0.30935%0.351SS..EExtended strand (participates in β ladder)trans-132.5141.9169.286.6-178.3-169.3-177.90111.2T170 I171 F239 S240 I241 T285T170-K283 CarbonylContact O-C 3.57Å; T170-K283 VanDerWaalsContact O-CA 3.24Å; T170-K283 WeakPolarHBondContact O-CA 3.41Å; I171-K283 HydrophobicContact CG1-CB 4.5Å; F239-K283 PolarHBondContact O-N 3.12Å; S240-K283 WeakPolarHBondContact CA-O 3.43Å; S240-K283 VanDerWaalsContact OG-CE 3.28Å; S240-K283 WeakPolarHBondContact OG-CE 3.47Å; I241-K283 PolarHBondContact N-O 3.06Å; K283-T285 HydrophobicContact CD-CG2 4.32Å; K283-T285 HydrophobicContact CG-CG2 4.43Å
284A95.8Very high89.1Confident1 Ų163.7 Ų63.71%0.00836%0.362CS..EExtended strand (participates in β ladder)trans-115.7133.616700000109.5I164 N169 T170 I241I164-A284 HydrophobicContact CD1-CB 4.14Å; I164-A284 HydrophobicContact CG2-CB 3.95Å; N169-A284 VanDerWaalsContact CA-O 3.3Å; N169-A284 WeakPolarHBondContact CA-O 3.39Å; T170-A284 PolarHBondContact N-O 3.28Å; T170-A284 PolarHBondContact O-N 3.29Å; T170-A284 WeakPolarHBondContact OG1-CB 3.44Å; I241-A284 HydrophobicContact CB-CB 4.34Å; I241-A284 CarbonylContact O-C 3.59Å; I241-A284 WeakPolarHBondContact O-CA 3.47Å
285T97.1Very high88.2Confident33 Ų3366 Ų6620%0.20239%0.385CS..EExtended strand (participates in β ladder)trans-134.1133.9-177.248.90000110.5N169 I241 I243 K283N169-T285 WeakPolarHBondContact OD1-CA 3.01Å; I241-T285 PolarHBondContact O-N 3.31Å; I241-T285 PolarHBondContact O-OG1 3.11Å; I241-T285 VanDerWaalsContact O-OG1 3.08Å; I243-T285 PolarHBondContact N-O 2.86Å; K283-T285 HydrophobicContact CD-CG2 4.32Å; K283-T285 HydrophobicContact CG-CG2 4.43Å
286F97.4Very high87.2Confident18 Ų1864.5 Ų64.58%0.07937%0.373CS..EExtended strand (participates in β ladder)trans-112.7128.2176.2-67.6-91.6000109.7V132 I164 L165 F166 H168 N169 I243V132-F286 HydrophobicContact CG2-CE1 4.01Å; V132-F286 HydrophobicContact CG2-CZ 3.83Å; I164-F286 HydrophobicContact CG2-CE2 3.94Å; I164-F286 HydrophobicContact CG2-CZ 3.73Å; L165-F286 WeakPolarHBondContact O-CE2 3.26Å; L165-F286 VanDerWaalsContact O-CZ 3.32Å; L165-F286 WeakPolarHBondContact O-CZ 3.32Å; F166-F286 HydrophobicContact CD2-CD1 4.02Å; F166-F286 AromaticContact CD2-CE1 3.71Å; F166-F286 HydrophobicContact CD2-CE1 3.71Å; F166-F286 HydrophobicContact CE2-CD1 4.26Å; F166-F286 HydrophobicContact CE2-CE1 4.35Å; H168-F286 WeakPolarHBondContact O-CE2 3.5Å; N169-F286 PolarHBondContact OD1-N 3.27Å; I243-F286 HydrophobicContact CB-CD1 3.78Å; I243-F286 HydrophobicContact CB-CE1 3.86Å; I243-F286 HydrophobicContact CD1-CD1 4.29Å; I243-F286 HydrophobicContact CD1-CE1 3.51Å; I243-F286 HydrophobicContact CD1-CZ 3.67Å; I243-F286 HydrophobicContact CG1-CE1 4.26Å; I243-F286 HydrophobicContact CG2-CD1 3.82Å; I243-F286 HydrophobicContact CG2-CE1 3.82Å; I243-F286 CarbonylContact O-C 3.6Å; I243-F286 VanDerWaalsContact O-CA 3.31Å; I243-F286 WeakPolarHBondContact O-CA 3.47Å
287V96.6Very high85.2Confident77 Ų7771.8 Ų71.847%0.46739%0.389SS..EExtended strand (participates in β ladder)trans-118.5119.2177.6-177.50000108.7I243 I244 W245 T289I243-V287 PolarHBondContact O-N 2.83Å; I244-V287 WeakPolarHBondContact CA-O 2.84Å; I244-V287 HydrophobicContact CG2-CB 4.32Å; W245-V287 VanDerWaalsContact CD1-O 3.26Å; W245-V287 PolarHBondContact N-O 2.94Å; V287-T289 HydrophobicContact CG1-CG2 4.11Å
288E94.9Very high83.6Confident76 Ų7670.4 Ų70.436%0.35539%0.39SS..EExtended strand (participates in β ladder)trans-79.8124.2173.5-171.9173.1-178.700109.6W245 R247 T290W245-E288 HydrophobicContact CD2-CB 4.41Å; W245-E288 HydrophobicContact CD2-CG 4.36Å; W245-E288 HydrophobicContact CE3-CG 4.4Å; W245-E288 HydrophobicContact CH2-CB 4.18Å; W245-E288 HydrophobicContact CH2-CG 3.72Å; W245-E288 WeakPolarHBondContact CH2-OE2 3.1Å; W245-E288 HydrophobicContact CZ2-CB 3.57Å; W245-E288 HydrophobicContact CZ2-CG 3.65Å; W245-E288 HydrophobicContact CZ3-CG 4.1Å; W245-E288 CarbonylContact O-C 3.54Å; W245-E288 WeakPolarHBondContact O-CA 3.17Å; R247-E288 IonicContact CZ-OE1 3Å; R247-E288 IonicContact CZ-OE2 3.79Å; R247-E288 IonicContact NE-OE1 2.99Å; R247-E288 PolarHBondContact NE-OE1 3.38Å; R247-E288 IonicContact NE-OE2 3.66Å; R247-E288 IonicContact NH2-OE1 2.91Å; R247-E288 PolarHBondContact NH2-OE1 3.01Å; R247-E288 IonicContact NH2-OE2 3.51Å; R247-E288 PolarHBondContact NH2-OE2 3.48Å; E288-T290 WeakPolarHBondContact CG-OG1 3.25Å; E288-T290 PolarHBondContact OE1-OG1 3.42Å
289T93.4Very high81.6Confident58 Ų5875.3 Ų75.336%0.35642%0.42SS..  trans-121.528.2-179.166.40000112I244 W245 L259 V287 V291I244-T289 HydrophobicContact CB-CG2 4.46Å; I244-T289 HydrophobicContact CG2-CG2 4.47Å; W245-T289 PolarHBondContact O-N 3.29Å; W245-T289 PolarHBondContact O-OG1 3.44Å; L259-T289 WeakPolarHBondContact CD1-OG1 2.98Å; V287-T289 HydrophobicContact CG1-CG2 4.11Å; T289-V291 PolarHBondContact O-N 3.34Å
290T89.8Confident79.9Confident27 Ų2774.9 Ų74.917%0.16642%0.419CS..  trans-59.5123.6177.2-54.40000110R247 E288 Y292R247-T290 HydrophobicContact CB-CG2 3.77Å; R247-T290 HydrophobicContact CG-CG2 4.47Å; R247-T290 PolarHBondContact N-OG1 3.36Å; E288-T290 WeakPolarHBondContact CG-OG1 3.25Å; E288-T290 PolarHBondContact OE1-OG1 3.42Å; T290-Y292 HydrophobicContact CG2-CD1 4.41Å; T290-Y292 HydrophobicContact CG2-CD2 4.36Å; T290-Y292 HydrophobicContact CG2-CE1 3.92Å; T290-Y292 HydrophobicContact CG2-CE2 3.86Å
291V85.6Confident78.1Confident134 Ų13479.8 Ų79.881%0.81244%0.442SS*.  trans-107.8120170.9-179.90000107.6T289T289-V291 PolarHBondContact O-N 3.34Å
292Y79.1Confident76.4Confident122 Ų12283.9 Ų83.948%0.47847%0.469SS..PPolyproline II helixtrans-84.4137.5173.1-62.3-79.3000109.2R247 T290R247-Y292 PolarHBondContact NH1-OH 2.8Å; T290-Y292 HydrophobicContact CG2-CD1 4.41Å; T290-Y292 HydrophobicContact CG2-CD2 4.36Å; T290-Y292 HydrophobicContact CG2-CE1 3.92Å; T290-Y292 HydrophobicContact CG2-CE2 3.86Å
293P70.2Confident75Confident94 Ų9490.3 Ų90.361%0.6150%0.498SS*.PPolyproline II helixtrans-60.2151.1170.527.9-33.5000109.3I251 A295I251-P293 HydrophobicContact CD1-CG 4.26Å; P293-A295 PolarHBondContact O-N 2.81Å
294E68.4Low73.5Confident165 Ų16590.8 Ų90.877%0.77150%0.498SS*.PPolyproline II helixtrans-56.6130171.3-70.3-168.9163.800109
295A63.4Low71.5Confident75 Ų75101.8 Ų101.862%0.6254%0.539SS*.PPolyproline II helixtrans-52.9135.7172.400000107.8P293 R297P293-A295 PolarHBondContact O-N 2.81Å; A295-R297 PolarHBondContact O-N 3.34Å
296P59.4Low69.8Low95 Ų95105 Ų10562%0.61755%0.551SS**  trans-61.2101.7-178.823.6-31.7000108.9G298 W304P296-G298 PolarHBondContact O-N 3.48Å; P296-W304 HydrophobicContact CB-CE3 4.01Å; P296-W304 HydrophobicContact CB-CH2 3.59Å; P296-W304 HydrophobicContact CB-CZ2 4.11Å; P296-W304 HydrophobicContact CB-CZ3 3.53Å; P296-W304 HydrophobicContact CG-CE3 4.34Å; P296-W304 HydrophobicContact CG-CZ3 4.13Å
297R42.9Very low67.8Low224 Ų224107.7 Ų107.785%0.84557%0.57SS**  trans-85.496.1172.9-70.5-160.1-107.7-147.4-1.1107.3A295A295-R297 PolarHBondContact O-N 3.34Å
298G55.3Low65.7Low52 Ų52112.9 Ų112.954%0.53659%0.587SS.*SBendtrans172.5171.2178.100000112.9P296P296-G298 PolarHBondContact O-N 3.48Å
299V52.5Low63.7Low121 Ų121110.5 Ų110.573%0.73358%0.583SS**SBendtrans-66.7130.6170.4179.40000108.1Q301V299-Q301 PolarHBondContact O-N 3.01Å
300P57.4Low62Low81 Ų81113 Ų11353%0.52659%0.589SS.*PPolyproline II helixtrans-55.9130.3-178.519.4-30.2000111.5W304 F306P300-W304 HydrophobicContact CB-CE3 4.18Å; P300-W304 HydrophobicContact CB-CZ3 4.47Å; P300-F306 HydrophobicContact CB-CZ 4.48Å
301Q57.8Low60.5Low103 Ų103119.6 Ų119.648%0.48162%0.615SS.*PPolyproline II helixtrans-97151.6177.2-66.2-83.8-23.900110.1V299 H303 W304V299-Q301 PolarHBondContact O-N 3.01Å; Q301-H303 WeakPolarHBondContact CB-CE1 3.37Å; Q301-H303 WeakPolarHBondContact CB-ND1 3.41Å; Q301-H303 PolarHBondContact O-N 3.16Å; Q301-W304 HydrophobicContact CB-CD2 4.31Å; Q301-W304 HydrophobicContact CB-CG 4.1Å; Q301-W304 HydrophobicContact CG-CZ2 4.29Å; Q301-W304 WeakPolarHBondContact O-CB 3.22Å; Q301-W304 PolarHBondContact O-N 2.86Å
302P58.2Low58.9Low131 Ų131117.8 Ų117.885%0.85160%0.604SS**THydrogen-bonded Turntrans-57.6-22.7-177.6-26.434.1000115.5
303H64.9Low57.3Low138 Ų138123.8 Ų123.864%0.63963%0.626SS**THydrogen-bonded Turntrans-93.2-3179.863.1-83.7000113.3Q301 R305Q301-H303 WeakPolarHBondContact CB-CE1 3.37Å; Q301-H303 WeakPolarHBondContact CB-ND1 3.41Å; Q301-H303 PolarHBondContact O-N 3.16Å; H303-R305 PolarHBondContact O-N 3.3Å
304W63.5Low56.3Low81 Ų81121.9 Ų121.931%0.30762%0.623SS.*PPolyproline II helixtrans-72126.5175.7-72.39.5000109P296 P300 Q301 F306P296-W304 HydrophobicContact CB-CE3 4.01Å; P296-W304 HydrophobicContact CB-CH2 3.59Å; P296-W304 HydrophobicContact CB-CZ2 4.11Å; P296-W304 HydrophobicContact CB-CZ3 3.53Å; P296-W304 HydrophobicContact CG-CE3 4.34Å; P296-W304 HydrophobicContact CG-CZ3 4.13Å; P300-W304 HydrophobicContact CB-CE3 4.18Å; P300-W304 HydrophobicContact CB-CZ3 4.47Å; Q301-W304 HydrophobicContact CB-CD2 4.31Å; Q301-W304 HydrophobicContact CB-CG 4.1Å; Q301-W304 HydrophobicContact CG-CZ2 4.29Å; Q301-W304 WeakPolarHBondContact O-CB 3.22Å; Q301-W304 PolarHBondContact O-N 2.86Å; W304-F306 PolarHBondContact O-N 2.8Å
305R54.7Low55.2Low232 Ų232118.4 Ų118.488%0.87562%0.623SS**PPolyproline II helixtrans-82.8119.2172.3-63.6-170.8-179.2-165.1-0.5107.3H303H303-R305 PolarHBondContact O-N 3.3Å
306F59.8Low54.3Low102 Ų102119.1 Ų119.145%0.44763%0.629SS.*PPolyproline II helixtrans-63.3146.5170.9-71-74.7000109.7P300 W304 F308 F310P300-F306 HydrophobicContact CB-CZ 4.48Å; W304-F306 PolarHBondContact O-N 2.8Å; F306-F308 PolarHBondContact O-N 3.25Å; F306-F310 HydrophobicContact CB-CB 3.83Å; F306-F310 HydrophobicContact CB-CD1 4.15Å; F306-F310 HydrophobicContact CB-CD2 4.44Å; F306-F310 HydrophobicContact CB-CG 3.89Å; F306-F310 HydrophobicContact CD1-CB 4.48Å; F306-F310 AromaticContact CD1-CD1 3.81Å; F306-F310 HydrophobicContact CD1-CD1 3.81Å; F306-F310 AromaticContact CD1-CD2 3.55Å; F306-F310 HydrophobicContact CD1-CD2 3.55Å; F306-F310 AromaticContact CD1-CE1 3.82Å; F306-F310 HydrophobicContact CD1-CE1 3.82Å; F306-F310 AromaticContact CD1-CE2 3.56Å; F306-F310 HydrophobicContact CD1-CE2 3.56Å; F306-F310 AromaticContact CD1-CG 3.68Å; F306-F310 HydrophobicContact CD1-CG 3.68Å; F306-F310 AromaticContact CD1-CZ 3.7Å; F306-F310 HydrophobicContact CD1-CZ 3.7Å; F306-F310 HydrophobicContact CE1-CD1 4.39Å; F306-F310 HydrophobicContact CE1-CD2 4.21Å; F306-F310 AromaticContact CE1-CE1 3.93Å; F306-F310 HydrophobicContact CE1-CE1 3.93Å; F306-F310 AromaticContact CE1-CE2 3.72Å; F306-F310 HydrophobicContact CE1-CE2 3.72Å; F306-F310 AromaticContact CE1-CZ 3.57Å; F306-F310 HydrophobicContact CE1-CZ 3.57Å; F306-F310 HydrophobicContact CG-CB 4.45Å; F306-F310 AromaticContact CG-CD1 3.93Å; F306-F310 HydrophobicContact CG-CD1 3.93Å; F306-F310 HydrophobicContact CG-CD2 4.3Å; F306-F310 HydrophobicContact CG-CE1 4.22Å; F306-F310 AromaticContact CG-CG 3.97Å; F306-F310 HydrophobicContact CG-CG 3.97Å; F306-F310 HydrophobicContact CZ-CE1 4.41Å; F306-F310 HydrophobicContact CZ-CZ 4.31Å
307P56Low53.5Low73 Ų73122.8 Ų122.847%0.47464%0.638SS.*PPolyproline II helixtrans-51.3139.7167-19.630.1000109.7E252 G309 F310E252-P307 VanDerWaalsContact CD-CB 3.42Å; E252-P307 HydrophobicContact CG-CB 4.33Å; E252-P307 WeakPolarHBondContact OE1-CA 3.36Å; E252-P307 WeakPolarHBondContact OE1-CB 3.38Å; P307-G309 PolarHBondContact O-N 2.74Å; P307-F310 WeakPolarHBondContact O-CB 3.49Å; P307-F310 PolarHBondContact O-N 3.36Å
308F53Low53.5Low187 Ų187118.6 Ų118.682%0.8263%0.631SS**THydrogen-bonded Turntrans-47.4-30175-119.8-90.6000114.2E252 F306E252-F308 WeakPolarHBondContact OE1-CA 3.42Å; E252-F308 PolarHBondContact OE1-N 3.07Å; E252-F308 WeakPolarHBondContact OE2-CB 3.13Å; E252-F308 PolarHBondContact OE2-N 3.01Å; F306-F308 PolarHBondContact O-N 3.25Å
309G52.3Low52.8Low26 Ų26123.9 Ų123.927%0.26865%0.648SS.*THydrogen-bonded Turntrans-90.62.4178.500000115.3E252 P307 F311 T312E252-G309 PolarHBondContact OE1-N 2.93Å; P307-G309 PolarHBondContact O-N 2.74Å; G309-F311 VanDerWaalsContact C-N 3.26Å; G309-F311 PolarHBondContact O-N 3.29Å; G309-T312 WeakPolarHBondContact CA-OG1 3.5Å; G309-T312 PolarHBondContact O-N 3.32Å; G309-T312 VanDerWaalsContact O-N 3.07Å; G309-T312 VanDerWaalsContact O-O 3.12Å; G309-T312 PolarHBondContact O-OG1 3.38Å
310F57.7Low52.1Low111 Ų111121 Ų12149%0.48764%0.642SS.*THydrogen-bonded Turntrans-59.2-35.3-175.9-177.6-97.3000113.4F306 P307F306-F310 HydrophobicContact CB-CB 3.83Å; F306-F310 HydrophobicContact CB-CD1 4.15Å; F306-F310 HydrophobicContact CB-CD2 4.44Å; F306-F310 HydrophobicContact CB-CG 3.89Å; F306-F310 HydrophobicContact CD1-CB 4.48Å; F306-F310 AromaticContact CD1-CD1 3.81Å; F306-F310 HydrophobicContact CD1-CD1 3.81Å; F306-F310 AromaticContact CD1-CD2 3.55Å; F306-F310 HydrophobicContact CD1-CD2 3.55Å; F306-F310 AromaticContact CD1-CE1 3.82Å; F306-F310 HydrophobicContact CD1-CE1 3.82Å; F306-F310 AromaticContact CD1-CE2 3.56Å; F306-F310 HydrophobicContact CD1-CE2 3.56Å; F306-F310 AromaticContact CD1-CG 3.68Å; F306-F310 HydrophobicContact CD1-CG 3.68Å; F306-F310 AromaticContact CD1-CZ 3.7Å; F306-F310 HydrophobicContact CD1-CZ 3.7Å; F306-F310 HydrophobicContact CE1-CD1 4.39Å; F306-F310 HydrophobicContact CE1-CD2 4.21Å; F306-F310 AromaticContact CE1-CE1 3.93Å; F306-F310 HydrophobicContact CE1-CE1 3.93Å; F306-F310 AromaticContact CE1-CE2 3.72Å; F306-F310 HydrophobicContact CE1-CE2 3.72Å; F306-F310 AromaticContact CE1-CZ 3.57Å; F306-F310 HydrophobicContact CE1-CZ 3.57Å; F306-F310 HydrophobicContact CG-CB 4.45Å; F306-F310 AromaticContact CG-CD1 3.93Å; F306-F310 HydrophobicContact CG-CD1 3.93Å; F306-F310 HydrophobicContact CG-CD2 4.3Å; F306-F310 HydrophobicContact CG-CE1 4.22Å; F306-F310 AromaticContact CG-CG 3.97Å; F306-F310 HydrophobicContact CG-CG 3.97Å; F306-F310 HydrophobicContact CZ-CE1 4.41Å; F306-F310 HydrophobicContact CZ-CZ 4.31Å; P307-F310 WeakPolarHBondContact O-CB 3.49Å; P307-F310 PolarHBondContact O-N 3.36Å
311F57.7Low51Low165 Ų165124.4 Ų124.472%0.72465%0.651SS**THydrogen-bonded Turntrans-94.4-4.2178.8-58.9-73.9000113.5G309G309-F311 VanDerWaalsContact C-N 3.26Å; G309-F311 PolarHBondContact O-N 3.29Å
312T52Low49.7Very low95 Ų95125.9 Ų125.958%0.58366%0.661SS**SBendtrans-91.8110.717457.50000108.7G309 G314G309-T312 WeakPolarHBondContact CA-OG1 3.5Å; G309-T312 PolarHBondContact O-N 3.32Å; G309-T312 VanDerWaalsContact O-N 3.07Å; G309-T312 VanDerWaalsContact O-O 3.12Å; G309-T312 PolarHBondContact O-OG1 3.38Å; T312-G314 PolarHBondContact O-N 3.05Å
313R46.8Very low48.5Very low249 Ų249125.7 Ų125.794%0.9465%0.653SS**THydrogen-bonded Turntrans-43.5122.8-177.2-72.5-176.5177.7-176.3-0.8113.2A315R313-A315 PolarHBondContact O-N 2.76Å
314G48Very low46.9Very low53 Ų53124.6 Ų124.655%0.54666%0.656SS.*THydrogen-bonded Turntrans77.53.1138.100000119.9T312T312-G314 PolarHBondContact O-N 3.05Å
315A45.7Very low45.4Very low92 Ų92126.7 Ų126.776%0.7668%0.683SS**SBendtrans-83.9-24.9175.100000113.3R313R313-A315 PolarHBondContact O-N 2.76Å
316A44.8Very low44.1Very low90 Ų90118.7 Ų118.774%0.74467%0.673SS**G310 helixtrans-87.90.4-175.600000114.4L318A316-L318 VanDerWaalsContact C-N 3.34Å; A316-L318 PolarHBondContact O-N 3.08Å
317E42.8Very low43Very low172 Ų172119.6 Ų119.680%0.80469%0.692SS**G310 helixtrans-88.32.3-173.9-134.2162.2-178.200113.7
318L43.3Very low41.6Very low136 Ų136121.2 Ų121.271%0.71271%0.705SS**G310 helixtrans-1071.6-176.5-81.5162.2000115.6A316 G320A316-L318 VanDerWaalsContact C-N 3.34Å; A316-L318 PolarHBondContact O-N 3.08Å; L318-G320 PolarHBondContact O-N 3.21Å
319D41.1Very low40.9Very low164 Ų164117.4 Ų117.488%0.87771%0.708SS**  trans-81.36.1174-79-21.5000113.3H321D319-H321 PolarHBondContact O-N 3.27Å; D319-H321 VanDerWaalsContact O-N 3.16Å
320G36.7Very low39.7Very low60 Ų60124.8 Ų124.862%0.61974%0.735SS**SBendtrans-76.391.916300000110.8L318 L322L318-G320 PolarHBondContact O-N 3.21Å; G320-L322 PolarHBondContact O-N 2.81Å; G320-L322 VanDerWaalsContact O-N 3.16Å
321H35.1Very low38.3Very low153 Ų153129 Ų12971%0.70875%0.753SS**  trans3.394.7157.8-155.326.5000116D319 D323D319-H321 PolarHBondContact O-N 3.27Å; D319-H321 VanDerWaalsContact O-N 3.16Å; H321-D323 IonicContact CE1-OD1 3.97Å; H321-D323 PolarHBondContact CE1-OD1 2.87Å; H321-D323 IonicContact CE1-OD2 3.12Å; H321-D323 IonicContact ND1-OD1 2.71Å; H321-D323 IonicContact NE2-OD1 3.89Å; H321-D323 IonicContact NE2-OD2 3.12Å
322L29.9Very low36.9Very low134 Ų134127.3 Ų127.370%0.70276%0.757SS**  trans-92.693.9156.4-99.3153.3000107.6G320 T324G320-L322 PolarHBondContact O-N 2.81Å; G320-L322 VanDerWaalsContact O-N 3.16Å; L322-T324 VanDerWaalsContact C-N 3.31Å; L322-T324 HydrophobicContact CD2-CG2 4.15Å; L322-T324 PolarHBondContact O-N 3.19Å
323D33.7Very low35.7Very low127 Ų127128.6 Ų128.668%0.67977%0.765SS**  trans-61.797.8156.2-89.2-27.4000108.1H321H321-D323 IonicContact CE1-OD1 3.97Å; H321-D323 PolarHBondContact CE1-OD1 2.87Å; H321-D323 IonicContact CE1-OD2 3.12Å; H321-D323 IonicContact ND1-OD1 2.71Å; H321-D323 IonicContact NE2-OD1 3.89Å; H321-D323 IonicContact NE2-OD2 3.12Å
324T31.1Very low34.7Very low115 Ų115127.9 Ų127.971%0.70676%0.762SS**  trans-111.769.2164.840.70000109.7L322L322-T324 VanDerWaalsContact C-N 3.31Å; L322-T324 HydrophobicContact CD2-CG2 4.15Å; L322-T324 PolarHBondContact O-N 3.19Å
325S31Very low33.7Very low124 Ų124130.5 Ų130.587%0.86777%0.772SS**  trans-83.898.5143.4830000106.9
326G27.4Very low33.1Very low64 Ų64133.6 Ų133.666%0.6678%0.775SS**  trans176.690.8-176.900000111.5S328G326-S328 PolarHBondContact O-N 2.9Å; G326-S328 VanDerWaalsContact O-N 3.13Å
327S36.7Very low32.3Very low122 Ų122137.2 Ų137.285%0.85378%0.779SS**  trans-53.2107.2169.3161.80000111.5
328S28Very low31.9Very low106 Ų106133 Ų13374%0.74177%0.773SS**  trans-161.2117.5146.1-36.50000109.8G326 E330G326-S328 PolarHBondContact O-N 2.9Å; G326-S328 VanDerWaalsContact O-N 3.13Å; S328-E330 PolarHBondContact O-N 2.69Å
329A37.5Very low31.2Very low108 Ų108135.8 Ų135.889%0.89378%0.78SS**  trans-73.6114.5165.300000108.6
330E27.5Very low30.9Very low180 Ų180133.3 Ų133.384%0.84177%0.773SS**  trans-127.8119.6162.9-80.4-167.1153.800111.3S328 V332S328-E330 PolarHBondContact O-N 2.69Å; E330-V332 PolarHBondContact O-N 3.26Å
331K27.9Very low30.8Very low199 Ų199138.2 Ų138.287%0.86578%0.784SS**  trans-54.6121.4172.2-98169.2165.8173.80109.9T333K331-T333 PolarHBondContact O-N 2.03Å; K331-T333 VanDerWaalsContact O-N 3.13Å
332V27.5Very low30.5Very low131 Ų131139.2 Ų139.279%0.79479%0.794SS**  trans-78.495.1164.7-179.50000108.5E330E330-V332 PolarHBondContact O-N 3.26Å
333T26.9Very low30.6Very low122 Ų122140.2 Ų140.275%0.74880%0.799SS**  trans-75.2117.4165.51.80000109.1K331 S335K331-T333 PolarHBondContact O-N 2.03Å; K331-T333 VanDerWaalsContact O-N 3.13Å; T333-S335 PolarHBondContact O-N 3.24Å
334W27.2Very low30.4Very low233 Ų233142.4 Ų142.488%0.88381%0.81SS**  trans-64.8118.9168.5-87.639.1000110
335S26.7Very low30.3Very low108 Ų108141.6 Ų141.676%0.75581%0.809SS**  trans-119.1104.7164.153.60000109.5T333 M337T333-S335 PolarHBondContact O-N 3.24Å; S335-M337 PolarHBondContact O-N 2.86Å
336L31.6Very low30.2Very low158 Ų158143.8 Ų143.883%0.82781%0.805SS**  trans-60.9122161.4-78.1151.4000108.8
337M29.1Very low30.2Very low166 Ų166148.8 Ų148.882%0.81882%0.816SS**  trans-129.8100.8159.9-74.9-67.6-106.500108.2S335S335-M337 PolarHBondContact O-N 2.86Å
338A33.7Very low29.8Very low84 Ų84146.6 Ų146.669%0.69481%0.813SS**  trans-70.8140160.900000109
339F28.7Very low29.6Very low193 Ų193149.5 Ų149.585%0.84682%0.819SS**  trans-168.4160.1152.4-96.1-54.6000109.6
340P35.8Very low29.2Very low113 Ų113155.2 Ų155.273%0.73482%0.817SS**  -115.6177-119.438.1-24.2000114.9
341L32.8Very low29.1Very low162 Ų162153 Ų15385%0.84881%0.812SS**  trans-45.6130.2169.8-76.9146.2000114
342L30.1Very low29.1Very low174 Ų174152.5 Ų152.591%0.91181%0.81SS**  trans-139.3115151.5-92.5165.8000109.3
343L32.8Very low28.9Very low156 Ų156153 Ų15382%0.81781%0.808SS**  trans-73.6134.7164.8-86.6143.7000109.3
344L29.3Very low28.9Very low172 Ų172154.1 Ų154.190%0.90181%0.808SS**  trans-167.1147.3136.6-102153.9000110.3
345S28.6Very low28.9Very low98 Ų98151 Ų15169%0.68580%0.803SS**  trans-94.8163.6-153.644.40000115.2
346E27.8Very low29Very low170 Ų170153.3 Ų153.379%0.79481%0.805SS**  trans74.4112.5161.3-54.5-150.615400118.9
347L27.2Very low29.1Very low169 Ų169158 Ų15889%0.88582%0.819SS**  -179.7132.985-108.7110.6000110.4
348G28.3Very low29.1Very low76 Ų76157.6 Ų157.678%0.78482%0.819SS**  trans97.650.5148.600000119R350G348-R350 PolarHBondContact O-N 3.48Å
349L25.2Very low28.8Very low167 Ų167161.4 Ų161.487%0.87483%0.826SS**  trans-77.4101.4157.5-88.3155.9000109N351L349-N351 PolarHBondContact O-N 2.87Å
350R28.5Very low28.8Very low228 Ų228159.7 Ų159.786%0.8683%0.825SS**  trans-69.8112.7157-86-173171.2-150.9-1.8107.3G348 F352G348-R350 PolarHBondContact O-N 3.48Å; R350-F352 PolarHBondContact O-N 2.95Å
351N25.9Very low28.4Very low135 Ų135162.4 Ų162.472%0.72283%0.83SS**  trans-52.8124167.2-73.1-16.2000109.6L349L349-N351 PolarHBondContact O-N 2.87Å
352F26.6Very low28.1Very low188 Ų188162.4 Ų162.483%0.82583%0.829SS**  trans-104.699.2151.7-93.1-83.6000106.1R350R350-F352 PolarHBondContact O-N 2.95Å
353D24.6Very low28Very low142 Ų142161.7 Ų161.776%0.75982%0.824SS**  trans-65.6123.8160.2-71.2-53.1000107.7
354I26.8Very low27.7Very low144 Ų144162.1 Ų162.174%0.73882%0.824SS**  trans-110.399.7164.5-65.2174.8000105.7I356I354-I356 HydrophobicContact CG2-CG1 4.5Å; I354-I356 PolarHBondContact O-N 3.05Å
355E26.8Very low27.6Very low167 Ų167161.3 Ų161.378%0.7882%0.818SS**  trans-63.4124.5159.9-75.2179.515000108.3
356I28.3Very low27.5Very low158 Ų158166.6 Ų166.681%0.8183%0.829SS**  trans-94.2117.4173.4-57.9175000106.5I354I354-I356 HydrophobicContact CG2-CG1 4.5Å; I354-I356 PolarHBondContact O-N 3.05Å
357F33.8Very low27.4Very low255 Ų255166.3 Ų166.3100%1.11883%0.832SS**  trans-90.90161.7-86.5-82.3000110.3

Retrieved 357 of 357 residues in 150.4 ms (Link to these results)