A0A087Y6L9_POEFO Loading...

Delta-like protein

Putative Notch ligand involved in the mediation of Notch signaling.

AlphaFold DB , UniProt , Accession A0A087Y6L9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 690 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

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
1M46Very low51.5Low191 Ų191107 Ų10794%0.94157%0.572SS**  0-43.40-82.9-162.2-79.200112.4D3 W4 F5M1-D3 PolarHBondContact O-N 3.14Å; M1-W4 PolarHBondContact O-N 3.21Å; M1-F5 PolarHBondContact O-N 3.35Å
2A45.3Very low51.5Low76 Ų76103.4 Ų103.463%0.62856%0.557SS**Hα-helixtrans-60-41.2174.400000113.6W4 F5 T6A2-W4 VanDerWaalsContact C-N 3.28Å; A2-W4 PolarHBondContact O-N 3.29Å; A2-F5 PolarHBondContact O-N 2.99Å; A2-T6 WeakPolarHBondContact O-CG2 3.4Å; A2-T6 PolarHBondContact O-N 3.45Å; A2-T6 PolarHBondContact O-OG1 3.25Å
3D44.9Very low51.3Low138 Ų138105 Ų10574%0.73856%0.561SS**Hα-helixtrans-69.1-22.8176.9-70.5-37.3000114.5M1 T6 S7M1-D3 PolarHBondContact O-N 3.14Å; D3-T6 WeakPolarHBondContact CA-OG1 3.08Å; D3-T6 PolarHBondContact O-OG1 3.22Å; D3-S7 WeakPolarHBondContact O-CB 3.37Å; D3-S7 PolarHBondContact O-N 3.14Å
4W51.2Low50.8Low182 Ų182108 Ų10869%0.68957%0.573SS**Hα-helixtrans-81.1-36.1176.8-16049.4000110.7M1 A2 I8M1-W4 PolarHBondContact O-N 3.21Å; A2-W4 VanDerWaalsContact C-N 3.28Å; A2-W4 PolarHBondContact O-N 3.29Å; W4-I8 HydrophobicContact CD2-CD1 3.84Å; W4-I8 HydrophobicContact CE3-CD1 4.12Å; W4-I8 HydrophobicContact CG-CD1 4.25Å; W4-I8 HydrophobicContact CH2-CD1 4.45Å; W4-I8 HydrophobicContact CZ2-CD1 4.18Å; W4-I8 HydrophobicContact CZ3-CD1 4.42Å; W4-I8 WeakPolarHBondContact O-CB 3.31Å; W4-I8 WeakPolarHBondContact O-CD1 3.38Å; W4-I8 VanDerWaalsContact O-CG1 3.23Å; W4-I8 WeakPolarHBondContact O-CG1 3.22Å; W4-I8 PolarHBondContact O-N 2.78Å
5F49.9Very low50.4Low129 Ų129108.7 Ų108.757%0.56658%0.576SS**Hα-helixtrans-69.4-38.8173.8-93.4-83.3000113M1 A2 S7 I8 I9M1-F5 PolarHBondContact O-N 3.35Å; A2-F5 PolarHBondContact O-N 2.99Å; F5-S7 VanDerWaalsContact C-N 3.35Å; F5-I8 PolarHBondContact O-N 3.45Å; F5-I9 VanDerWaalsContact O-CB 3.31Å; F5-I9 WeakPolarHBondContact O-CB 3.36Å; F5-I9 WeakPolarHBondContact O-CD1 3.36Å; F5-I9 WeakPolarHBondContact O-CG1 3.39Å; F5-I9 PolarHBondContact O-N 2.92Å
6T53.6Low49.8Very low86 Ų86112.8 Ų112.853%0.52859%0.588SS.*Hα-helixtrans-67.7-35.9175.252.50000112A2 D3 A10A2-T6 WeakPolarHBondContact O-CG2 3.4Å; A2-T6 PolarHBondContact O-N 3.45Å; A2-T6 PolarHBondContact O-OG1 3.25Å; D3-T6 WeakPolarHBondContact CA-OG1 3.08Å; D3-T6 PolarHBondContact O-OG1 3.22Å; T6-A10 VanDerWaalsContact O-CB 3.27Å; T6-A10 WeakPolarHBondContact O-CB 3.48Å; T6-A10 PolarHBondContact O-N 2.72Å
7S53.5Low49.3Very low65 Ų65111.5 Ų111.546%0.45559%0.586SS.*Hα-helixtrans-70.2-40.9175.8-144.50000111.9D3 F5 A10 I11D3-S7 WeakPolarHBondContact O-CB 3.37Å; D3-S7 PolarHBondContact O-N 3.14Å; F5-S7 VanDerWaalsContact C-N 3.35Å; S7-A10 PolarHBondContact O-N 3.14Å; S7-I11 WeakPolarHBondContact O-CB 3.4Å; S7-I11 WeakPolarHBondContact O-CD1 3.39Å; S7-I11 WeakPolarHBondContact O-CG1 3.4Å; S7-I11 PolarHBondContact O-N 2.86Å
8I59.4Low49.4Very low68 Ų68112.7 Ų112.735%0.34959%0.588SS.*Hα-helixtrans-67.8-40.3174-68.4166.3000111W4 F5 A10 I11 V12W4-I8 HydrophobicContact CD2-CD1 3.84Å; W4-I8 HydrophobicContact CE3-CD1 4.12Å; W4-I8 HydrophobicContact CG-CD1 4.25Å; W4-I8 HydrophobicContact CH2-CD1 4.45Å; W4-I8 HydrophobicContact CZ2-CD1 4.18Å; W4-I8 HydrophobicContact CZ3-CD1 4.42Å; W4-I8 WeakPolarHBondContact O-CB 3.31Å; W4-I8 WeakPolarHBondContact O-CD1 3.38Å; W4-I8 VanDerWaalsContact O-CG1 3.23Å; W4-I8 WeakPolarHBondContact O-CG1 3.22Å; W4-I8 PolarHBondContact O-N 2.78Å; F5-I8 PolarHBondContact O-N 3.45Å; I8-A10 VanDerWaalsContact C-N 3.35Å; I8-I11 PolarHBondContact O-N 2.79Å; I8-V12 HydrophobicContact CG2-CG2 4.07Å; I8-V12 VanDerWaalsContact O-CB 3.26Å; I8-V12 WeakPolarHBondContact O-CB 3.44Å; I8-V12 WeakPolarHBondContact O-CG2 3.32Å; I8-V12 PolarHBondContact O-N 2.84Å
9I57Low49.6Very low96 Ų96111 Ų11149%0.49258%0.583SS.*Hα-helixtrans-66.5-37.1175.6-68.8164.4000110.8F5 M13F5-I9 VanDerWaalsContact O-CB 3.31Å; F5-I9 WeakPolarHBondContact O-CB 3.36Å; F5-I9 WeakPolarHBondContact O-CD1 3.36Å; F5-I9 WeakPolarHBondContact O-CG1 3.39Å; F5-I9 PolarHBondContact O-N 2.92Å; I9-M13 HydrophobicContact CG2-CG 4.19Å; I9-M13 WeakPolarHBondContact O-CB 3.33Å; I9-M13 WeakPolarHBondContact O-CG 3Å; I9-M13 PolarHBondContact O-N 3.02Å
10A50.7Low50.2Low52 Ų52111 Ų11143%0.4358%0.582SS.*Hα-helixtrans-67.5-39173.400000112.4T6 S7 I8 M14T6-A10 VanDerWaalsContact O-CB 3.27Å; T6-A10 WeakPolarHBondContact O-CB 3.48Å; T6-A10 PolarHBondContact O-N 2.72Å; S7-A10 PolarHBondContact O-N 3.14Å; I8-A10 VanDerWaalsContact C-N 3.35Å; A10-M14 WeakPolarHBondContact O-CB 3.07Å; A10-M14 WeakPolarHBondContact O-CG 3.48Å; A10-M14 PolarHBondContact O-N 2.88Å
11I55.4Low51.1Low94 Ų94105.7 Ų105.748%0.48256%0.555SS.*Hα-helixtrans-69-40.5175.4-69.6163.6000110.8S7 I8 M14 L15S7-I11 WeakPolarHBondContact O-CB 3.4Å; S7-I11 WeakPolarHBondContact O-CD1 3.39Å; S7-I11 WeakPolarHBondContact O-CG1 3.4Å; S7-I11 PolarHBondContact O-N 2.86Å; I8-I11 PolarHBondContact O-N 2.79Å; I11-M14 PolarHBondContact O-N 3.19Å; I11-L15 HydrophobicContact CG2-CD1 3.71Å; I11-L15 HydrophobicContact CG2-CG 4.42Å; I11-L15 VanDerWaalsContact O-CB 3.29Å; I11-L15 WeakPolarHBondContact O-CB 3.4Å; I11-L15 WeakPolarHBondContact O-CD1 3.4Å; I11-L15 WeakPolarHBondContact O-CG 3.39Å; I11-L15 PolarHBondContact O-N 2.88Å
12V51.7Low53.1Low64 Ų6497 Ų9739%0.38851%0.513SS..Hα-helixtrans-68.3-42.3175.5171.60000110.4I8 M14 L15 F16I8-V12 HydrophobicContact CG2-CG2 4.07Å; I8-V12 VanDerWaalsContact O-CB 3.26Å; I8-V12 WeakPolarHBondContact O-CB 3.44Å; I8-V12 WeakPolarHBondContact O-CG2 3.32Å; I8-V12 PolarHBondContact O-N 2.84Å; V12-M14 PolarHBondContact O-N 3.26Å; V12-L15 PolarHBondContact O-N 2.99Å; V12-F16 HydrophobicContact CG1-CD2 3.72Å; V12-F16 HydrophobicContact CG1-CE2 3.96Å; V12-F16 WeakPolarHBondContact O-CB 3.47Å; V12-F16 VanDerWaalsContact O-CD2 3.31Å; V12-F16 WeakPolarHBondContact O-CD2 3.48Å; V12-F16 PolarHBondContact O-N 2.85Å
13M48.1Very low55.3Low124 Ų12493.4 Ų93.461%0.61148%0.483SS*.Hα-helixtrans-64.9-36.2173.5-74.1-75.3-132.800112.1I9 T17I9-M13 HydrophobicContact CG2-CG 4.19Å; I9-M13 WeakPolarHBondContact O-CB 3.33Å; I9-M13 WeakPolarHBondContact O-CG 3Å; I9-M13 PolarHBondContact O-N 3.02Å; M13-T17 WeakPolarHBondContact O-CB 3.36Å; M13-T17 WeakPolarHBondContact O-CG2 3.43Å; M13-T17 PolarHBondContact O-N 3.2Å; M13-T17 VanDerWaalsContact O-N 3.17Å; M13-T17 PolarHBondContact O-OG1 3.05Å
14M44.3Very low57.6Low147 Ų14788 Ų8872%0.72446%0.455SS*.Hα-helixtrans-71.9-31.3172.1-79.4-156.6176.700113.2A10 I11 V12A10-M14 WeakPolarHBondContact O-CB 3.07Å; A10-M14 WeakPolarHBondContact O-CG 3.48Å; A10-M14 PolarHBondContact O-N 2.88Å; I11-M14 PolarHBondContact O-N 3.19Å; V12-M14 PolarHBondContact O-N 3.26Å
15L44.3Very low59.6Low118 Ų11879.3 Ų79.362%0.61842%0.422SS*.Hα-helixtrans-74.6-30.6175.1-77163.1000112.4I11 V12I11-L15 HydrophobicContact CG2-CD1 3.71Å; I11-L15 HydrophobicContact CG2-CG 4.42Å; I11-L15 VanDerWaalsContact O-CB 3.29Å; I11-L15 WeakPolarHBondContact O-CB 3.4Å; I11-L15 WeakPolarHBondContact O-CD1 3.4Å; I11-L15 WeakPolarHBondContact O-CG 3.39Å; I11-L15 PolarHBondContact O-N 2.88Å; V12-L15 PolarHBondContact O-N 2.99Å
16F41.9Very low61.8Low174 Ų17473.8 Ų73.876%0.76340%0.398SS*.Hα-helixtrans-91.6-5.7178.7-84.3-81.6000114.7V12V12-F16 HydrophobicContact CG1-CD2 3.72Å; V12-F16 HydrophobicContact CG1-CE2 3.96Å; V12-F16 WeakPolarHBondContact O-CB 3.47Å; V12-F16 VanDerWaalsContact O-CD2 3.31Å; V12-F16 WeakPolarHBondContact O-CD2 3.48Å; V12-F16 PolarHBondContact O-N 2.85Å
17T41.6Very low63.7Low91 Ų9169.7 Ų69.756%0.55837%0.373SS*.  trans-111.220.5177.254.90000113.9M13 V19M13-T17 WeakPolarHBondContact O-CB 3.36Å; M13-T17 WeakPolarHBondContact O-CG2 3.43Å; M13-T17 PolarHBondContact O-N 3.2Å; M13-T17 VanDerWaalsContact O-N 3.17Å; M13-T17 PolarHBondContact O-OG1 3.05Å; T17-V19 PolarHBondContact O-N 3.47Å
18Q49.8Very low65.6Low134 Ų13467.6 Ų67.663%0.62636%0.357SS*.  trans-70.386.2156.3-68.5-168.61.100107.1L20Q18-L20 HydrophobicContact CB-CD2 4.46Å; Q18-L20 PolarHBondContact O-N 3.02Å
19V53.1Low67.3Low80 Ų8064.4 Ų64.449%0.48534%0.34SS..  trans-54.294.7159.2176.90000105.3T17 G21 T100T17-V19 PolarHBondContact O-N 3.47Å; V19-G21 VanDerWaalsContact C-N 3.27Å; V19-G21 PolarHBondContact O-N 2.84Å; V19-T100 PolarHBondContact O-OG1 3.3Å
20L62Low69Low110 Ų11062.9 Ų62.958%0.57633%0.331SS*.  trans-71.290.3-177.8-71167.6000107.3Q18 N98Q18-L20 HydrophobicContact CB-CD2 4.46Å; Q18-L20 PolarHBondContact O-N 3.02Å; L20-N98 VanDerWaalsContact CD2-O 3.31Å; L20-N98 WeakPolarHBondContact CD2-O 3.36Å
21G70.4Confident71Confident1 Ų162.4 Ų62.41%0.0132%0.32CS..  trans-63.2138.4167.100000109.8V19 N98 F99 T175 C176V19-G21 VanDerWaalsContact C-N 3.27Å; V19-G21 PolarHBondContact O-N 2.84Å; G21-N98 CarbonylContact O-C 3.44Å; G21-F99 CarbonylContact O-C 3.59Å; G21-F99 PolarHBondContact O-N 2.77Å; G21-F99 VanDerWaalsContact O-N 3.12Å; G21-T175 WeakPolarHBondContact CA-O 3.2Å; G21-C176 CarbonylContact C-O 3.55Å; G21-C176 WeakPolarHBondContact CA-O 3.48Å
22S87.4Confident72.9Confident8 Ų858 Ų586%0.05630%0.297CS..  trans-116.2107.1173.3-163.90000109.7L97 K168 C176S22-L97 WeakPolarHBondContact CA-O 3.49Å; S22-K168 PolarHBondContact O-N 2.89Å; S22-K168 WeakPolarHBondContact OG-CD 3.22Å; S22-C176 PolarHBondContact N-O 2.74Å; S22-C176 VanDerWaalsContact O-CB 3.32Å; S22-C176 WeakPolarHBondContact O-CB 3.09Å
23S90.4Very high74.8Confident1 Ų158.1 Ų58.11%0.00729%0.293CS..EExtended strand (participates in β ladder)trans-127.3162.6-179.558.20000110.8L97 V166S23-L97 PolarHBondContact N-O 3.18Å; S23-L97 VanDerWaalsContact N-O 3.11Å; S23-L97 PolarHBondContact O-N 2.81Å; S23-V166 CarbonylContact C-O 3.58Å; S23-V166 VanDerWaalsContact CA-O 3.29Å; S23-V166 WeakPolarHBondContact CA-O 3.49Å; S23-V166 WeakPolarHBondContact CB-O 3.25Å
24V93.5Very high76.9Confident23 Ų2352.3 Ų52.314%0.13927%0.265CS..EExtended strand (participates in β ladder)trans-125.3120.3175.8-175.20000108E26 R94 I165 V166V24-E26 HydrophobicContact CG1-CG 4Å; V24-R94 HydrophobicContact CG1-CB 3.85Å; V24-R94 HydrophobicContact CG1-CG 4.23Å; V24-I165 WeakPolarHBondContact O-CA 3.38Å; V24-V166 HydrophobicContact CB-CG2 4.46Å; V24-V166 PolarHBondContact N-O 3.5Å; V24-V166 PolarHBondContact O-N 2.82Å
25F94.1Very high78.9Confident0 Ų049.3 Ų49.30%026%0.255CS..EExtended strand (participates in β ladder)trans-84.4117.5169.9-166-85.5000108I27 L58 L95 L97 W101 F105 L107 L139 Y163 I165F25-I27 HydrophobicContact CD1-CD1 3.87Å; F25-I27 HydrophobicContact CD1-CG1 3.7Å; F25-I27 HydrophobicContact CE1-CD1 3.7Å; F25-I27 HydrophobicContact CE1-CG1 3.45Å; F25-I27 VanDerWaalsContact CE1-CG1 3.45Å; F25-L58 HydrophobicContact CB-CD2 3.92Å; F25-L58 HydrophobicContact CD1-CD1 4.31Å; F25-L58 HydrophobicContact CD1-CD2 3.98Å; F25-L58 HydrophobicContact CD2-CD2 4.01Å; F25-L58 HydrophobicContact CE1-CD1 4.03Å; F25-L58 HydrophobicContact CE2-CD1 4.3Å; F25-L58 HydrophobicContact CG-CD2 3.7Å; F25-L58 HydrophobicContact CZ-CD1 4.05Å; F25-L95 HydrophobicContact CB-CB 4.34Å; F25-L95 PolarHBondContact N-O 2.82Å; F25-L95 PolarHBondContact O-N 2.8Å; F25-L97 HydrophobicContact CB-CD1 4.4Å; F25-W101 AromaticContact CD2-CH2 3.77Å; F25-W101 HydrophobicContact CD2-CH2 3.77Å; F25-W101 HydrophobicContact CD2-CZ2 4.48Å; F25-W101 HydrophobicContact CD2-CZ3 4.07Å; F25-W101 AromaticContact CE2-CH2 3.76Å; F25-W101 HydrophobicContact CE2-CH2 3.76Å; F25-W101 HydrophobicContact CE2-CZ2 4.31Å; F25-W101 HydrophobicContact CE2-CZ3 4.49Å; F25-F105 HydrophobicContact CE2-CD1 4.36Å; F25-F105 HydrophobicContact CE2-CD2 4.38Å; F25-F105 HydrophobicContact CE2-CE1 4.18Å; F25-F105 HydrophobicContact CE2-CE2 4.2Å; F25-F105 HydrophobicContact CE2-CG 4.46Å; F25-F105 HydrophobicContact CE2-CZ 4.09Å; F25-F105 HydrophobicContact CZ-CD2 4.17Å; F25-F105 HydrophobicContact CZ-CE1 4.37Å; F25-F105 AromaticContact CZ-CE2 3.71Å; F25-F105 HydrophobicContact CZ-CE2 3.71Å; F25-F105 AromaticContact CZ-CZ 3.82Å; F25-F105 HydrophobicContact CZ-CZ 3.82Å; F25-L107 HydrophobicContact CE1-CD2 4.44Å; F25-L139 HydrophobicContact CE2-CD2 3.78Å; F25-L139 HydrophobicContact CZ-CD2 4.48Å; F25-Y163 HydrophobicContact CE1-CG 4.47Å; F25-Y163 AromaticContact CZ-CD2 3.98Å; F25-Y163 HydrophobicContact CZ-CD2 3.98Å; F25-Y163 HydrophobicContact CZ-CG 4.02Å; F25-I165 HydrophobicContact CD2-CB 4Å; F25-I165 HydrophobicContact CD2-CD1 4.34Å; F25-I165 HydrophobicContact CD2-CG1 4.4Å
26E94.9Very high80.9Confident13 Ų1350 Ų506%0.06125%0.253CS..EExtended strand (participates in β ladder)trans-107.8135.2-177.3-58.9-164.5131.400109.8V24 T92 V93 R94 W145 Y163 R164 V166V24-E26 HydrophobicContact CG1-CG 4Å; E26-T92 HydrophobicContact CB-CG2 3.9Å; E26-V93 WeakPolarHBondContact CA-O 3.48Å; E26-R94 HydrophobicContact CG-CG 4.25Å; E26-R94 IonicContact OE1-CZ 3.54Å; E26-R94 IonicContact OE1-NE 3.9Å; E26-R94 PolarHBondContact OE1-NE 2.79Å; E26-R94 IonicContact OE1-NH2 3.71Å; E26-W145 HydrophobicContact CB-CH2 3.76Å; E26-W145 HydrophobicContact CB-CZ3 4.23Å; E26-Y163 CarbonylContact O-C 3.56Å; E26-Y163 WeakPolarHBondContact O-CA 3.24Å; E26-Y163 WeakPolarHBondContact O-CB 3.12Å; E26-R164 HydrophobicContact CB-CG 4.16Å; E26-R164 PolarHBondContact N-O 3.37Å; E26-R164 PolarHBondContact O-N 2.03Å; E26-R164 IonicContact OE2-CZ 3.23Å; E26-R164 VanDerWaalsContact OE2-CZ 3.25Å; E26-R164 IonicContact OE2-NE 3.14Å; E26-R164 PolarHBondContact OE2-NE 2.93Å; E26-R164 IonicContact OE2-NH2 2.86Å; E26-R164 PolarHBondContact OE2-NH2 2.68Å; E26-V166 HydrophobicContact CG-CG2 4.37Å
27I94.4Very high83Confident0 Ų043.2 Ų43.20%023%0.229CC..EExtended strand (participates in β ladder)trans-129.4126.2177.1-58.5158.9000108F25 L29 V56 T92 V93 L107 I109 Y161 S162F25-I27 HydrophobicContact CD1-CD1 3.87Å; F25-I27 HydrophobicContact CD1-CG1 3.7Å; F25-I27 HydrophobicContact CE1-CD1 3.7Å; F25-I27 HydrophobicContact CE1-CG1 3.45Å; F25-I27 VanDerWaalsContact CE1-CG1 3.45Å; I27-L29 HydrophobicContact CG2-CD2 4.09Å; I27-V56 HydrophobicContact CD1-CB 4.39Å; I27-V56 HydrophobicContact CD1-CG1 3.23Å; I27-V56 HydrophobicContact CD1-CG2 4.34Å; I27-T92 CarbonylContact O-C 3.53Å; I27-T92 VanDerWaalsContact O-CA 3.29Å; I27-T92 WeakPolarHBondContact O-CA 3.48Å; I27-T92 WeakPolarHBondContact O-CG2 3.5Å; I27-V93 HydrophobicContact CB-CB 4.45Å; I27-V93 PolarHBondContact N-O 3.01Å; I27-V93 PolarHBondContact O-N 3.38Å; I27-L107 HydrophobicContact CD1-CD1 3.81Å; I27-L107 HydrophobicContact CD1-CD2 4.31Å; I27-I109 HydrophobicContact CG2-CD1 4.41Å; I27-Y161 HydrophobicContact CG2-CD2 4.47Å; I27-S162 CarbonylContact C-O 3.58Å; I27-S162 WeakPolarHBondContact CA-O 3.32Å
28D93.8Very high85.2Confident21 Ų2140.8 Ų40.811%0.11221%0.212CC..EExtended strand (participates in β ladder)trans-115.4125.5177.5-160.434.3000109.4H30 T92 W145 Y161 S162D28-H30 IonicContact OD2-CE1 3.22Å; D28-H30 PolarHBondContact OD2-CE1 3.11Å; D28-H30 VanDerWaalsContact OD2-CE1 3.26Å; D28-H30 IonicContact OD2-ND1 2.72Å; D28-T92 PolarHBondContact OD1-OG1 2.84Å; D28-W145 HydrophobicContact CB-CH2 3.88Å; D28-W145 HydrophobicContact CB-CZ3 3.82Å; D28-Y161 CarbonylContact O-C 3.4Å; D28-Y161 WeakPolarHBondContact O-CA 3.45Å; D28-Y161 WeakPolarHBondContact O-CB 3.4Å; D28-S162 PolarHBondContact N-O 2.94Å; D28-S162 PolarHBondContact O-N 2.83Å
29L93.4Very high87.1Confident1 Ų135 Ų351%0.00519%0.185CC..EExtended strand (participates in β ladder)trans-97.6127.9-178.1-56.3177.5000108I27 F54 T77 L80 I87 I109I27-L29 HydrophobicContact CG2-CD2 4.09Å; L29-F54 HydrophobicContact CD1-CB 3.85Å; L29-F54 HydrophobicContact CD1-CD1 4.36Å; L29-F54 HydrophobicContact CD1-CD2 3.51Å; L29-F54 HydrophobicContact CD1-CE2 4.16Å; L29-F54 HydrophobicContact CD1-CG 3.63Å; L29-T77 HydrophobicContact CD1-CG2 3.98Å; L29-L80 HydrophobicContact CD1-CD1 4.04Å; L29-I87 HydrophobicContact CB-CD1 3.45Å; L29-I87 VanDerWaalsContact CB-CD1 3.45Å; L29-I87 HydrophobicContact CB-CG2 4.34Å; L29-I87 HydrophobicContact CD1-CD1 4.44Å; L29-I87 VanDerWaalsContact O-CB 3.22Å; L29-I87 WeakPolarHBondContact O-CB 3.5Å; L29-I87 WeakPolarHBondContact O-CG2 3.24Å; L29-I109 HydrophobicContact CD2-CD1 4.27Å
30H92.9Very high88.7Confident65 Ų6533.8 Ų33.830%0.30118%0.184SC..EExtended strand (participates in β ladder)trans-103.9-47.1-173.3-63.4-61.5000112.6D28 I87 R160 S162D28-H30 IonicContact OD2-CE1 3.22Å; D28-H30 PolarHBondContact OD2-CE1 3.11Å; D28-H30 VanDerWaalsContact OD2-CE1 3.26Å; D28-H30 IonicContact OD2-ND1 2.72Å; H30-I87 PolarHBondContact O-N 2.02Å; H30-R160 HydrophobicContact CB-CB 4.23Å; H30-R160 WeakPolarHBondContact CB-O 3.34Å; H30-R160 PolarHBondContact N-O 2.8Å; H30-S162 PolarHBondContact NE2-OG 2.72Å
31H93.9Very high89.8Confident42 Ų4232.5 Ų32.519%0.19418%0.178CC..EExtended strand (participates in β ladder)trans-152.8138.9-173.2-176.571.6000110.8F85 S86 L159 R160H31-F85 PolarHBondContact ND1-O 3.05Å; H31-S86 PolarHBondContact ND1-OG 2.83Å; H31-L159 WeakPolarHBondContact O-CA 3.36Å; H31-R160 HydrophobicContact CB-CB 4.13Å; H31-R160 HydrophobicContact CB-CG 4.4Å; H31-R160 PolarHBondContact N-O 3.39Å; H31-R160 PolarHBondContact O-N 2.86Å
32F94.1Very high90.4Very high0 Ų034.7 Ų34.70%020%0.2CC..EExtended strand (participates in β ladder)trans-130.1135.7170.4177.6-106000110.3N34 T52 F54 D83 S84 F85 A111 I130 F133 T157 E158 L159F32-N34 HydrophobicContact CE1-CB 3.88Å; F32-N34 HydrophobicContact CZ-CB 4.2Å; F32-T52 HydrophobicContact CD1-CG2 4.12Å; F32-T52 HydrophobicContact CE1-CG2 3.89Å; F32-T52 HydrophobicContact CZ-CG2 4.41Å; F32-F54 HydrophobicContact CB-CE1 4.48Å; F32-F54 HydrophobicContact CB-CZ 3.69Å; F32-F54 HydrophobicContact CD1-CZ 4.19Å; F32-F54 AromaticContact CD2-CE1 3.9Å; F32-F54 HydrophobicContact CD2-CE1 3.9Å; F32-F54 AromaticContact CD2-CZ 3.87Å; F32-F54 HydrophobicContact CD2-CZ 3.87Å; F32-F54 HydrophobicContact CE2-CE1 4.33Å; F32-F54 HydrophobicContact CG-CE1 4.17Å; F32-F54 AromaticContact CG-CZ 3.65Å; F32-F54 HydrophobicContact CG-CZ 3.65Å; F32-D83 WeakPolarHBondContact CD1-O 3.33Å; F32-D83 WeakPolarHBondContact CE1-O 3.23Å; F32-S84 CarbonylContact O-C 3.55Å; F32-S84 VanDerWaalsContact O-CA 3.31Å; F32-S84 WeakPolarHBondContact O-CA 3.29Å; F32-F85 HydrophobicContact CB-CE1 4.34Å; F32-F85 HydrophobicContact CB-CE2 4.4Å; F32-F85 HydrophobicContact CB-CZ 4.11Å; F32-F85 HydrophobicContact CD1-CD1 4.42Å; F32-F85 AromaticContact CD1-CE1 3.68Å; F32-F85 HydrophobicContact CD1-CE1 3.68Å; F32-F85 HydrophobicContact CD1-CZ 4.04Å; F32-F85 HydrophobicContact CG-CE1 4.46Å; F32-F85 HydrophobicContact CG-CZ 4.47Å; F32-F85 PolarHBondContact N-O 2.89Å; F32-F85 PolarHBondContact O-N 2.83Å; F32-F85 VanDerWaalsContact O-O 3.13Å; F32-A111 HydrophobicContact CE2-CB 3.81Å; F32-A111 HydrophobicContact CZ-CB 3.77Å; F32-I130 HydrophobicContact CZ-CG2 3.98Å; F32-F133 HydrophobicContact CD2-CE2 4.46Å; F32-F133 HydrophobicContact CD2-CZ 4.39Å; F32-F133 AromaticContact CE2-CE2 3.92Å; F32-F133 HydrophobicContact CE2-CE2 3.92Å; F32-F133 AromaticContact CE2-CZ 3.88Å; F32-F133 HydrophobicContact CE2-CZ 3.88Å; F32-T157 HydrophobicContact CE2-CG2 4.37Å; F32-T157 HydrophobicContact CZ-CG2 4.02Å; F32-E158 CarbonylContact C-O 3.53Å; F32-E158 WeakPolarHBondContact CA-O 3.01Å; F32-E158 WeakPolarHBondContact CD2-O 3.42Å; F32-L159 HydrophobicContact CB-CD1 4.14Å; F32-L159 HydrophobicContact CD2-CB 4.38Å; F32-L159 HydrophobicContact CD2-CD1 4Å
33Q93.3Very high90.3Very high67 Ų6743 Ų4331%0.31323%0.23SC..EExtended strand (participates in β ladder)trans-121.1132177.9-156.417928.200109.7T35 S84 T157 E158Q33-T35 HydrophobicContact CG-CG2 3.86Å; Q33-S84 WeakPolarHBondContact CG-OG 3.33Å; Q33-T157 CarbonylContact O-C 3.55Å; Q33-T157 WeakPolarHBondContact O-CA 3.01Å; Q33-T157 WeakPolarHBondContact O-CB 3.5Å; Q33-E158 HydrophobicContact CB-CB 4.01Å; Q33-E158 PolarHBondContact N-O 3.29Å; Q33-E158 PolarHBondContact O-N 3.2Å
34N91.4Very high90.1Very high2 Ų247.1 Ų47.11%0.01126%0.259CS..EExtended strand (participates in β ladder)trans-132.890.4165-175-2.3000108.2F32 K36 A37 L38 D83 S84 I130 T157F32-N34 HydrophobicContact CE1-CB 3.88Å; F32-N34 HydrophobicContact CZ-CB 4.2Å; N34-K36 PolarHBondContact O-N 3.09Å; N34-A37 PolarHBondContact O-N 2.86Å; N34-A37 PolarHBondContact OD1-N 2.97Å; N34-L38 PolarHBondContact ND2-N 2.84Å; N34-L38 PolarHBondContact ND2-O 3.24Å; N34-D83 WeakPolarHBondContact CB-O 3.48Å; N34-D83 PolarHBondContact N-O 2.92Å; N34-S84 PolarHBondContact N-OG 3.3Å; N34-S84 PolarHBondContact O-OG 2.93Å; N34-I130 WeakPolarHBondContact ND2-CG2 3.49Å; N34-T157 HydrophobicContact CB-CG2 4.01Å
35T86.6Confident89.5Confident85 Ų8546.8 Ų46.852%0.52126%0.258SS..THydrogen-bonded Turntrans-66.9-21-170.653.20000113.9Q33 Q156Q33-T35 HydrophobicContact CG-CG2 3.86Å; T35-Q156 PolarHBondContact N-O 2.91Å; T35-Q156 VanDerWaalsContact N-O 3.14Å; T35-Q156 PolarHBondContact OG1-O 3.28Å; T35-Q156 VanDerWaalsContact OG1-O 3.14Å
36K85.3Confident88.9Confident133 Ų13349.2 Ų49.258%0.57828%0.275SS*.THydrogen-bonded Turntrans-111.3-2-175.3-62.1-174.5-178.8173.50113.9N34 L38 Q156N34-K36 PolarHBondContact O-N 3.09Å; K36-L38 HydrophobicContact CB-CB 4.48Å; K36-L38 HydrophobicContact CB-CD1 3.89Å; K36-L38 HydrophobicContact CB-CG 3.8Å; K36-L38 HydrophobicContact CD-CD1 4.25Å; K36-L38 WeakPolarHBondContact O-CG 3.03Å; K36-L38 PolarHBondContact O-N 2.84Å; K36-Q156 HydrophobicContact CD-CB 4.19Å; K36-Q156 HydrophobicContact CG-CB 4.4Å
37A87.3Confident88Confident30 Ų3055 Ų5525%0.24831%0.311CS..  trans51.138.6-174.800000113.2N34 C50 D83N34-A37 PolarHBondContact O-N 2.86Å; N34-A37 PolarHBondContact OD1-N 2.97Å; A37-C50 PolarHBondContact O-SG 2.86Å; A37-D83 WeakPolarHBondContact CB-OD1 3.32Å
38L88.1Confident87.2Confident40 Ų4061.2 Ų61.221%0.20934%0.344CS..BIsolated β-bridgetrans-107.9151.7-178.2-61.9-179.4000111.8N34 K36 R43N34-L38 PolarHBondContact ND2-N 2.84Å; N34-L38 PolarHBondContact ND2-O 3.24Å; K36-L38 HydrophobicContact CB-CB 4.48Å; K36-L38 HydrophobicContact CB-CD1 3.89Å; K36-L38 HydrophobicContact CB-CG 3.8Å; K36-L38 HydrophobicContact CD-CD1 4.25Å; K36-L38 WeakPolarHBondContact O-CG 3.03Å; K36-L38 PolarHBondContact O-N 2.84Å; L38-R43 WeakPolarHBondContact CA-O 3.48Å
39L88.3Confident86.8Confident12 Ų1260.6 Ų60.66%0.06334%0.343CS..  trans-77.8165.1164.4-63.5167.7000110.4N41 G42 R43 C45 Y113 I130L39-N41 WeakPolarHBondContact CB-OD1 3.17Å; L39-N41 PolarHBondContact O-N 2.91Å; L39-N41 VanDerWaalsContact O-N 3.12Å; L39-G42 PolarHBondContact O-N 2.81Å; L39-R43 WeakPolarHBondContact CB-O 3.4Å; L39-R43 HydrophobicContact CD1-CB 4.49Å; L39-R43 PolarHBondContact N-O 3.26Å; L39-C45 VanDerWaalsContact CD2-SG 3.54Å; L39-Y113 HydrophobicContact CD2-CG 4.38Å; L39-I130 HydrophobicContact CD2-CG1 3.93Å
40A86.9Confident86.5Confident56 Ų5660.5 Ų60.546%0.46334%0.343SS..THydrogen-bonded Turntrans-59.4-24.8177.400000113.1G42 L129 I130A40-G42 VanDerWaalsContact C-N 3.28Å; A40-G42 PolarHBondContact O-N 3.48Å; A40-L129 HydrophobicContact CB-CB 4.4Å; A40-L129 HydrophobicContact CB-CD2 4.28Å; A40-L129 HydrophobicContact CB-CG 4.26Å; A40-L129 WeakPolarHBondContact CB-O 3.22Å; A40-L129 PolarHBondContact N-O 3.49Å; A40-I130 WeakPolarHBondContact CA-O 3.16Å; A40-I130 WeakPolarHBondContact CB-O 3.12Å; A40-I130 PolarHBondContact N-O 3.07Å
41N84.9Confident86.3Confident82 Ų8260.5 Ų60.544%0.43934%0.34SS..THydrogen-bonded Turntrans-84.13.8175.564.917.2000114L39 R43 G127L39-N41 WeakPolarHBondContact CB-OD1 3.17Å; L39-N41 PolarHBondContact O-N 2.91Å; L39-N41 VanDerWaalsContact O-N 3.12Å; N41-R43 VanDerWaalsContact C-N 3.34Å; N41-R43 PolarHBondContact O-N 3.12Å; N41-R43 WeakPolarHBondContact OD1-CB 3.29Å; N41-R43 PolarHBondContact OD1-N 2.84Å; N41-G127 PolarHBondContact ND2-O 2.03Å
42G83.8Confident86.2Confident47 Ų4758.5 Ų58.549%0.48533%0.331SS..SBendtrans80.93179.100000115.5L39 A40L39-G42 PolarHBondContact O-N 2.81Å; A40-G42 VanDerWaalsContact C-N 3.28Å; A40-G42 PolarHBondContact O-N 3.48Å
43R85.8Confident86.1Confident182 Ų18258.6 Ų58.669%0.68733%0.331SS*.  trans-86.8150.8175.5-61.1-179.3177.3-177.3-0.9111.2L38 L39 N41L38-R43 WeakPolarHBondContact CA-O 3.48Å; L39-R43 WeakPolarHBondContact CB-O 3.4Å; L39-R43 HydrophobicContact CD1-CB 4.49Å; L39-R43 PolarHBondContact N-O 3.26Å; N41-R43 VanDerWaalsContact C-N 3.34Å; N41-R43 PolarHBondContact O-N 3.12Å; N41-R43 WeakPolarHBondContact OD1-CB 3.29Å; N41-R43 PolarHBondContact OD1-N 2.84Å
44S84.8Confident86Confident88 Ų8855.4 Ų55.462%0.61532%0.316SS*.BIsolated β-bridgetrans-70.7142.5171.956.90000111.5
45C82.3Confident86Confident16 Ų1658.2 Ų58.211%0.10833%0.327CS..  trans-69.6-49.9-178.6-62.20000114.1L39 C50 Y113L39-C45 VanDerWaalsContact CD2-SG 3.54Å; C45-C50 HydrophobicContact CB-CB 3.76Å; C45-C50 WeakPolarHBondContact CB-SG 3.27Å; C45-C50 WeakPolarHBondContact SG-CB 3.38Å; C45-C50 CovalentContact SG-SG 2.02Å; C45-C50 PolarHBondContact SG-SG 3.25Å; C45-Y113 HydrophobicContact CB-CD1 4.4Å; C45-Y113 HydrophobicContact CB-CD2 3.98Å; C45-Y113 HydrophobicContact CB-CE1 4.48Å; C45-Y113 HydrophobicContact CB-CE2 4.06Å; C45-Y113 HydrophobicContact CB-CG 4.17Å
46S80.3Confident86.3Confident51 Ų5154.2 Ų54.236%0.35730%0.302SS..  trans-167.9174.2-178.2-170.90000109.8D48S46-D48 PolarHBondContact O-N 2.86Å
47T76.3Confident86.7Confident134 Ų13448.7 Ų48.782%0.82228%0.28SS*.THydrogen-bonded Turntrans-63.8-27165.6510000112.5
48D77.6Confident87Confident131 Ų13147.2 Ų47.270%0.70127%0.268SS*.THydrogen-bonded Turntrans-99.914.1-172.4-49.3-27.7000112.8S46S46-D48 PolarHBondContact O-N 2.86Å
49G84.7Confident87.2Confident8 Ų845.6 Ų45.68%0.08226%0.259CS..  trans84.6178-179.500000115.1R51 D83G49-R51 PolarHBondContact O-N 3.16Å; G49-D83 WeakPolarHBondContact CA-OD2 3.33Å
50C87.3Confident87.3Confident0 Ų048.4 Ų48.40%027%0.274CS..  trans-88.591.9-179.1-60.30000111.4A37 C45 T52 S82 D83 I130A37-C50 PolarHBondContact O-SG 2.86Å; C45-C50 HydrophobicContact CB-CB 3.76Å; C45-C50 WeakPolarHBondContact CB-SG 3.27Å; C45-C50 WeakPolarHBondContact SG-CB 3.38Å; C45-C50 CovalentContact SG-SG 2.02Å; C45-C50 PolarHBondContact SG-SG 3.25Å; C50-T52 PolarHBondContact O-N 3.35Å; C50-T52 PolarHBondContact O-OG1 2.85Å; C50-S82 WeakPolarHBondContact O-CA 3.24Å; C50-D83 WeakPolarHBondContact CB-OD1 3.19Å; C50-D83 PolarHBondContact N-OD1 3.26Å; C50-D83 PolarHBondContact O-N 2.94Å; C50-I130 HydrophobicContact CB-CD1 4Å
51R90.4Very high87.6Confident65 Ų6550.3 Ų50.325%0.24527%0.272CS..EExtended strand (participates in β ladder)trans-58.8106.2168.1-72.8178.1-62.8-166.1-5.6110.5G49 V79 Y113 S114 P115G49-R51 PolarHBondContact O-N 3.16Å; R51-V79 HydrophobicContact CB-CG1 3.94Å; R51-V79 HydrophobicContact CG-CG1 4.5Å; R51-Y113 HydrophobicContact CB-CD2 4.35Å; R51-Y113 HydrophobicContact CB-CE2 4.22Å; R51-Y113 PolarHBondContact NH2-OH 2.96Å; R51-Y113 WeakPolarHBondContact O-CA 2.98Å; R51-S114 VanDerWaalsContact CZ-O 3.3Å; R51-S114 PolarHBondContact NE-O 2.91Å; R51-S114 PolarHBondContact NH2-O 2.94Å; R51-S114 VanDerWaalsContact NH2-O 3.11Å; R51-S114 PolarHBondContact O-N 3.04Å; R51-P115 PolarHBondContact NH2-O 3Å
52T90.7Very high87.6Confident0 Ų048.5 Ų48.50%026%0.261CS..EExtended strand (participates in β ladder)trans-105.7128.4-166.7-57.60000111.2F32 C50 F54 V79 L80 G81 F85 A111 W112 I130F32-T52 HydrophobicContact CD1-CG2 4.12Å; F32-T52 HydrophobicContact CE1-CG2 3.89Å; F32-T52 HydrophobicContact CZ-CG2 4.41Å; C50-T52 PolarHBondContact O-N 3.35Å; C50-T52 PolarHBondContact O-OG1 2.85Å; T52-F54 HydrophobicContact CG2-CE1 4.28Å; T52-F54 HydrophobicContact CG2-CE2 4.05Å; T52-F54 HydrophobicContact CG2-CZ 3.81Å; T52-V79 WeakPolarHBondContact O-CA 3.39Å; T52-L80 PolarHBondContact O-N 3.25Å; T52-G81 PolarHBondContact N-O 2.88Å; T52-F85 HydrophobicContact CG2-CE1 4.43Å; T52-F85 HydrophobicContact CG2-CZ 4.23Å; T52-A111 HydrophobicContact CG2-CB 3.97Å; T52-W112 WeakPolarHBondContact CA-O 3.44Å; T52-I130 HydrophobicContact CG2-CD1 3.99Å; T52-I130 VanDerWaalsContact OG1-CD1 3.29Å; T52-I130 WeakPolarHBondContact OG1-CD1 3.37Å
53Y91.4Very high87.6Confident2 Ų255.1 Ų55.11%0.00828%0.277CS..EExtended strand (participates in β ladder)trans-124.7158.5165.175.1-79.5000109.4R55 P78 W112 P120 G121Y53-R55 HydrophobicContact CD2-CG 4.38Å; Y53-R55 HydrophobicContact CE2-CG 3.8Å; Y53-R55 PolarHBondContact OH-NE 3.43Å; Y53-R55 VanDerWaalsContact OH-NE 3.12Å; Y53-R55 PolarHBondContact OH-NH2 2.68Å; Y53-P78 WeakPolarHBondContact CB-O 3.39Å; Y53-W112 HydrophobicContact CD1-CB 3.87Å; Y53-W112 VanDerWaalsContact CD1-O 3.27Å; Y53-W112 WeakPolarHBondContact CD1-O 3.48Å; Y53-W112 HydrophobicContact CE1-CB 3.3Å; Y53-W112 HydrophobicContact CE1-CG 4.38Å; Y53-W112 HydrophobicContact CE2-CB 4.05Å; Y53-W112 HydrophobicContact CG-CB 4.45Å; Y53-W112 PolarHBondContact N-O 3.38Å; Y53-W112 PolarHBondContact O-N 2.94Å; Y53-P120 HydrophobicContact CD2-CB 3.78Å; Y53-P120 HydrophobicContact CE2-CB 3.61Å; Y53-P120 HydrophobicContact CG-CB 4.31Å; Y53-G121 PolarHBondContact OH-O 3.2Å
54F92.2Very high87.5Confident0 Ų054.4 Ų54.40%028%0.281CS..EExtended strand (participates in β ladder)trans-110.6142.1-175.5-63.2-87.2000111.5L29 F32 T52 S76 T77 L80 F85 I87 I109 E110 A111 L159L29-F54 HydrophobicContact CD1-CB 3.85Å; L29-F54 HydrophobicContact CD1-CD1 4.36Å; L29-F54 HydrophobicContact CD1-CD2 3.51Å; L29-F54 HydrophobicContact CD1-CE2 4.16Å; L29-F54 HydrophobicContact CD1-CG 3.63Å; F32-F54 HydrophobicContact CB-CE1 4.48Å; F32-F54 HydrophobicContact CB-CZ 3.69Å; F32-F54 HydrophobicContact CD1-CZ 4.19Å; F32-F54 AromaticContact CD2-CE1 3.9Å; F32-F54 HydrophobicContact CD2-CE1 3.9Å; F32-F54 AromaticContact CD2-CZ 3.87Å; F32-F54 HydrophobicContact CD2-CZ 3.87Å; F32-F54 HydrophobicContact CE2-CE1 4.33Å; F32-F54 HydrophobicContact CG-CE1 4.17Å; F32-F54 AromaticContact CG-CZ 3.65Å; F32-F54 HydrophobicContact CG-CZ 3.65Å; T52-F54 HydrophobicContact CG2-CE1 4.28Å; T52-F54 HydrophobicContact CG2-CE2 4.05Å; T52-F54 HydrophobicContact CG2-CZ 3.81Å; F54-S76 CarbonylContact O-C 3.48Å; F54-S76 VanDerWaalsContact O-CA 3.25Å; F54-S76 WeakPolarHBondContact O-CA 3.11Å; F54-T77 HydrophobicContact CB-CG2 4.06Å; F54-T77 PolarHBondContact N-OG1 3.39Å; F54-T77 PolarHBondContact O-N 3.47Å; F54-L80 HydrophobicContact CD2-CD1 3.77Å; F54-L80 HydrophobicContact CD2-CG 4.4Å; F54-L80 HydrophobicContact CE2-CD1 4Å; F54-F85 HydrophobicContact CE2-CE2 4.3Å; F54-F85 AromaticContact CE2-CZ 3.99Å; F54-F85 HydrophobicContact CE2-CZ 3.99Å; F54-F85 HydrophobicContact CZ-CZ 4.24Å; F54-I87 HydrophobicContact CE2-CD1 4.12Å; F54-I109 HydrophobicContact CB-CG2 4.35Å; F54-I109 HydrophobicContact CD1-CG2 3.86Å; F54-E110 CarbonylContact C-O 3.58Å; F54-E110 VanDerWaalsContact CA-O 3.31Å; F54-E110 WeakPolarHBondContact CA-O 3.45Å; F54-A111 HydrophobicContact CD1-CB 4.15Å; F54-A111 HydrophobicContact CE1-CB 3.79Å; F54-L159 HydrophobicContact CE1-CD1 3.76Å; F54-L159 HydrophobicContact CZ-CD1 4.07Å
55R91.3Very high87.3Confident60 Ų6052.1 Ų52.123%0.22626%0.264CS..EExtended strand (participates in β ladder)trans-114.1132.1167.3-64-176.5-179.4-133.3-3.8109Y53 I109 E110 G121 S123Y53-R55 HydrophobicContact CD2-CG 4.38Å; Y53-R55 HydrophobicContact CE2-CG 3.8Å; Y53-R55 PolarHBondContact OH-NE 3.43Å; Y53-R55 VanDerWaalsContact OH-NE 3.12Å; Y53-R55 PolarHBondContact OH-NH2 2.68Å; R55-I109 CarbonylContact O-C 3.5Å; R55-I109 WeakPolarHBondContact O-CA 3.31Å; R55-E110 HydrophobicContact CB-CB 4.42Å; R55-E110 PolarHBondContact N-O 3.19Å; R55-E110 PolarHBondContact O-N 3.08Å; R55-G121 PolarHBondContact NH2-O 3.22Å; R55-S123 PolarHBondContact NH1-OG 2.97Å; R55-S123 PolarHBondContact NH2-OG 3.41Å; R55-S123 VanDerWaalsContact NH2-OG 3.08Å
56V93.3Very high87.2Confident2 Ų253.9 Ų53.91%0.01228%0.276CS..EExtended strand (participates in β ladder)trans-112.7129.3-179177.70000107.9I27 R74 G75 V93 L95 L107I27-V56 HydrophobicContact CD1-CB 4.39Å; I27-V56 HydrophobicContact CD1-CG1 3.23Å; I27-V56 HydrophobicContact CD1-CG2 4.34Å; V56-R74 CarbonylContact O-C 3.38Å; V56-R74 WeakPolarHBondContact O-CA 3.4Å; V56-R74 WeakPolarHBondContact O-CB 3.47Å; V56-G75 PolarHBondContact N-O 3.25Å; V56-G75 PolarHBondContact O-N 3.3Å; V56-V93 HydrophobicContact CB-CG1 4.45Å; V56-V93 HydrophobicContact CG2-CG1 4.28Å; V56-V93 HydrophobicContact CG2-CG2 4.35Å; V56-L95 HydrophobicContact CG1-CD1 3.99Å; V56-L107 HydrophobicContact CG1-CD1 3.65Å
57C93.2Very high86.8Confident16 Ų1657.9 Ų57.911%0.10830%0.3CS..EExtended strand (participates in β ladder)trans-127.8111.4176.9-177.80000109.4C70 V108C57-C70 VanDerWaalsContact CA-SG 3.57Å; C57-C70 HydrophobicContact CB-CB 4Å; C57-C70 WeakPolarHBondContact CB-SG 3.29Å; C57-C70 WeakPolarHBondContact SG-CA 3.3Å; C57-C70 WeakPolarHBondContact SG-CB 3.47Å; C57-C70 CovalentContact SG-SG 2.03Å; C57-C70 PolarHBondContact SG-SG 2.83Å; C57-V108 HydrophobicContact CB-CB 4.25Å; C57-V108 PolarHBondContact N-O 3.35Å; C57-V108 PolarHBondContact O-N 3.43Å
58L94.5Very high86.8Confident0 Ų053.7 Ų53.70%028%0.284CS..EExtended strand (participates in β ladder)trans-101.3129.7177.2-167.369.4000109.8F25 C70 I71 F72 G73 L95 W101 F105 L107F25-L58 HydrophobicContact CB-CD2 3.92Å; F25-L58 HydrophobicContact CD1-CD1 4.31Å; F25-L58 HydrophobicContact CD1-CD2 3.98Å; F25-L58 HydrophobicContact CD2-CD2 4.01Å; F25-L58 HydrophobicContact CE1-CD1 4.03Å; F25-L58 HydrophobicContact CE2-CD1 4.3Å; F25-L58 HydrophobicContact CG-CD2 3.7Å; F25-L58 HydrophobicContact CZ-CD1 4.05Å; L58-C70 CarbonylContact O-C 3.55Å; L58-C70 WeakPolarHBondContact O-CA 3.39Å; L58-I71 PolarHBondContact O-N 3.48Å; L58-F72 HydrophobicContact CB-CB 4.07Å; L58-F72 HydrophobicContact CD2-CB 3.79Å; L58-F72 HydrophobicContact CD2-CD2 4.34Å; L58-F72 HydrophobicContact CG-CB 3.8Å; L58-F72 HydrophobicContact CG-CD2 4.05Å; L58-F72 HydrophobicContact CG-CG 4.45Å; L58-F72 PolarHBondContact O-N 2.97Å; L58-G73 PolarHBondContact N-O 2.87Å; L58-G73 PolarHBondContact O-N 2.81Å; L58-L95 HydrophobicContact CB-CD1 3.83Å; L58-L95 HydrophobicContact CD2-CD1 4.26Å; L58-W101 HydrophobicContact CD2-CZ3 4.5Å; L58-F105 HydrophobicContact CD1-CB 4.16Å; L58-F105 HydrophobicContact CD1-CD2 3.51Å; L58-F105 HydrophobicContact CD1-CE2 4.26Å; L58-F105 HydrophobicContact CD1-CG 4.11Å; L58-L107 HydrophobicContact CD1-CB 4.16Å; L58-L107 HydrophobicContact CD1-CD1 4.3Å
59K92Very high87.2Confident5 Ų558.2 Ų58.22%0.02229%0.291CS..EExtended strand (participates in β ladder)trans-144.3174.2-176.768.4-173.899.5177.50112S66 I71 F72 S106K59-S66 PolarHBondContact NZ-O 2.81Å; K59-I71 HydrophobicContact CB-CG1 3.95Å; K59-F72 VanDerWaalsContact C-CD2 3.49Å; K59-F72 VanDerWaalsContact C-CE2 3.46Å; K59-F72 WeakPolarHBondContact O-CD2 3.47Å; K59-F72 VanDerWaalsContact O-CE2 3.27Å; K59-F72 WeakPolarHBondContact O-CE2 3.25Å; K59-S106 WeakPolarHBondContact CG-O 3.47Å; K59-S106 PolarHBondContact N-O 2.82Å; K59-S106 PolarHBondContact O-N 2.83Å
60N90.4Very high87.4Confident71 Ų7159.8 Ų59.838%0.3830%0.301SS..EExtended strand (participates in β ladder)trans-58154.5174.953.8-48.7000111.2Q62 I71 F72 S106N60-Q62 PolarHBondContact O-N 2.93Å; N60-I71 HydrophobicContact CB-CD1 3.52Å; N60-I71 VanDerWaalsContact OD1-CD1 3.23Å; N60-I71 WeakPolarHBondContact OD1-CD1 3.37Å; N60-F72 HydrophobicContact CB-CZ 4.1Å; N60-S106 WeakPolarHBondContact O-CB 3.42Å; N60-S106 PolarHBondContact O-OG 3.12Å
61F91.6Very high87.4Confident96 Ų9664.3 Ų64.342%0.42132%0.324SS..  trans-55.6131.3171.7-175.9-93.1000111.3A104 S106 Q136F61-A104 HydrophobicContact CB-CB 3.75Å; F61-A104 HydrophobicContact CD2-CB 4.09Å; F61-A104 HydrophobicContact CG-CB 4.07Å; F61-S106 WeakPolarHBondContact CA-OG 3.45Å; F61-Q136 HydrophobicContact CD2-CB 4.08Å; F61-Q136 HydrophobicContact CE2-CB 3.79Å; F61-Q136 HydrophobicContact CE2-CG 3.89Å; F61-Q136 HydrophobicContact CZ-CG 4.37Å
62Q86.9Confident87.4Confident44 Ų4462.6 Ų62.621%0.20632%0.318CS..  trans-128.5136.3174.3-60.3179.9-55.400108.2N60 E64 S66 S106N60-Q62 PolarHBondContact O-N 2.93Å; Q62-E64 WeakPolarHBondContact CB-O 3.22Å; Q62-E64 PolarHBondContact O-N 2.89Å; Q62-S66 PolarHBondContact NE2-OG 2.81Å; Q62-S66 VanDerWaalsContact NE2-OG 3.16Å; Q62-S66 VanDerWaalsContact OE1-N 3.12Å; Q62-S106 PolarHBondContact N-OG 3.22Å
63K82.5Confident87.4Confident187 Ų18763.6 Ų63.681%0.81333%0.329SS*.SBendtrans-62.3-34.9177-172178.8179.3-176.80111.9
64E83.4Confident87.4Confident167 Ų16773.5 Ų73.578%0.7837%0.367SS*.SBendtrans-125.2121.8168.7-67.8-179.4-174.500107.6Q62 S66Q62-E64 WeakPolarHBondContact CB-O 3.22Å; Q62-E64 PolarHBondContact O-N 2.89Å; E64-S66 PolarHBondContact O-N 2.81Å
65V81.8Confident87.4Confident40 Ų4074.4 Ų74.424%0.24238%0.376CS..  trans-74.6113.7-175.1-174.90000109V108 A134 Q136V65-V108 HydrophobicContact CG1-CG2 3.53Å; V65-A134 HydrophobicContact CB-CB 3.93Å; V65-A134 HydrophobicContact CG1-CB 3.82Å; V65-A134 HydrophobicContact CG2-CB 4.32Å; V65-Q136 HydrophobicContact CG2-CB 4.13Å
66S79.1Confident87.3Confident52 Ų5275 Ų7536%0.36439%0.389SS..  trans-110.6156.5-177.963.50000112.2K59 Q62 E64 G68K59-S66 PolarHBondContact NZ-O 2.81Å; Q62-S66 PolarHBondContact NE2-OG 2.81Å; Q62-S66 VanDerWaalsContact NE2-OG 3.16Å; Q62-S66 VanDerWaalsContact OE1-N 3.12Å; E64-S66 PolarHBondContact O-N 2.81Å; S66-G68 PolarHBondContact O-N 2.87Å
67P71.8Confident87.2Confident135 Ų13575.3 Ų75.388%0.87739%0.391SS*.SBendtrans-57.2133.9167.8-2132.4000110.1
68G76.9Confident87Confident47 Ų4778.4 Ų78.449%0.48541%0.411SS..  trans179.3179.3-173.200000112.9S66S66-G68 PolarHBondContact O-N 2.87Å
69R85.1Confident86.7Confident225 Ų22580.1 Ų80.185%0.84942%0.421SS*.  trans-68.5139.3-179.6-67.3-175.2178.3-175.4-0.2111.4I71R69-I71 VanDerWaalsContact C-N 3.3Å; R69-I71 HydrophobicContact CB-CG2 4.37Å; R69-I71 PolarHBondContact O-N 3.26Å
70C90.2Very high86.6Confident42 Ų4281.7 Ų81.728%0.28443%0.43SS..  trans-81.375.9175.8-42.80000109.9C57 L58 F72 G73 R74C57-C70 VanDerWaalsContact CA-SG 3.57Å; C57-C70 HydrophobicContact CB-CB 4Å; C57-C70 WeakPolarHBondContact CB-SG 3.29Å; C57-C70 WeakPolarHBondContact SG-CA 3.3Å; C57-C70 WeakPolarHBondContact SG-CB 3.47Å; C57-C70 CovalentContact SG-SG 2.03Å; C57-C70 PolarHBondContact SG-SG 2.83Å; L58-C70 CarbonylContact O-C 3.55Å; L58-C70 WeakPolarHBondContact O-CA 3.39Å; C70-F72 VanDerWaalsContact C-N 3.25Å; C70-F72 PolarHBondContact O-N 3.03Å; C70-G73 VanDerWaalsContact CB-O 3.25Å; C70-G73 WeakPolarHBondContact CB-O 3.31Å; C70-G73 PolarHBondContact O-N 2.88Å; C70-R74 HydrophobicContact CB-CB 4Å
71I87.8Confident86.6Confident94 Ų9479.2 Ų79.248%0.48242%0.421SS..SBendtrans-64.3-26.3-170.157.6158.8000114.1L58 K59 N60 R69L58-I71 PolarHBondContact O-N 3.48Å; K59-I71 HydrophobicContact CB-CG1 3.95Å; N60-I71 HydrophobicContact CB-CD1 3.52Å; N60-I71 VanDerWaalsContact OD1-CD1 3.23Å; N60-I71 WeakPolarHBondContact OD1-CD1 3.37Å; R69-I71 VanDerWaalsContact C-N 3.3Å; R69-I71 HydrophobicContact CB-CG2 4.37Å; R69-I71 PolarHBondContact O-N 3.26Å
72F90Very high86.5Confident29 Ų2977.2 Ų77.213%0.12742%0.419CS..SBendtrans-92.2-18.8178-62.1-21.2000111.8L58 K59 N60 C70 L97 F99 W101 P102 F105L58-F72 HydrophobicContact CB-CB 4.07Å; L58-F72 HydrophobicContact CD2-CB 3.79Å; L58-F72 HydrophobicContact CD2-CD2 4.34Å; L58-F72 HydrophobicContact CG-CB 3.8Å; L58-F72 HydrophobicContact CG-CD2 4.05Å; L58-F72 HydrophobicContact CG-CG 4.45Å; L58-F72 PolarHBondContact O-N 2.97Å; K59-F72 VanDerWaalsContact C-CD2 3.49Å; K59-F72 VanDerWaalsContact C-CE2 3.46Å; K59-F72 WeakPolarHBondContact O-CD2 3.47Å; K59-F72 VanDerWaalsContact O-CE2 3.27Å; K59-F72 WeakPolarHBondContact O-CE2 3.25Å; N60-F72 HydrophobicContact CB-CZ 4.1Å; C70-F72 VanDerWaalsContact C-N 3.25Å; C70-F72 PolarHBondContact O-N 3.03Å; F72-L97 HydrophobicContact CB-CD2 4.05Å; F72-L97 WeakPolarHBondContact O-CD2 3.4Å; F72-F99 HydrophobicContact CB-CZ 3.98Å; F72-F99 HydrophobicContact CD1-CE1 4.18Å; F72-F99 AromaticContact CD1-CE2 3.73Å; F72-F99 HydrophobicContact CD1-CE2 3.73Å; F72-F99 AromaticContact CD1-CZ 3.26Å; F72-F99 HydrophobicContact CD1-CZ 3.26Å; F72-F99 AromaticContact CE1-CE2 3.85Å; F72-F99 HydrophobicContact CE1-CE2 3.85Å; F72-F99 AromaticContact CE1-CZ 3.87Å; F72-F99 HydrophobicContact CE1-CZ 3.87Å; F72-F99 HydrophobicContact CG-CE2 4.35Å; F72-F99 AromaticContact CG-CZ 3.75Å; F72-F99 HydrophobicContact CG-CZ 3.75Å; F72-W101 HydrophobicContact CD2-CZ3 4.5Å; F72-P102 HydrophobicContact CE1-CG 4.47Å; F72-P102 HydrophobicContact CE2-CG 3.85Å; F72-P102 HydrophobicContact CZ-CG 3.61Å; F72-F105 HydrophobicContact CE2-CB 4.39Å
73G90.2Very high86.6Confident22 Ų2277.1 Ų77.123%0.22742%0.42CS..EExtended strand (participates in β ladder)trans145.6165175.800000111.9L58 C70L58-G73 PolarHBondContact N-O 2.87Å; L58-G73 PolarHBondContact O-N 2.81Å; C70-G73 VanDerWaalsContact CB-O 3.25Å; C70-G73 WeakPolarHBondContact CB-O 3.31Å; C70-G73 PolarHBondContact O-N 2.88Å
74R92Very high87.1Confident210 Ų21070.8 Ų70.879%0.79240%0.399SS*.EExtended strand (participates in β ladder)trans-135.114817464.5-179176.9-171.7-1.2110V56 C70 L95V56-R74 CarbonylContact O-C 3.38Å; V56-R74 WeakPolarHBondContact O-CA 3.4Å; V56-R74 WeakPolarHBondContact O-CB 3.47Å; C70-R74 HydrophobicContact CB-CB 4Å; R74-L95 VanDerWaalsContact C-CD2 3.5Å
75G90.6Very high87.6Confident19 Ų1964 Ų6420%0.19637%0.367CS..EExtended strand (participates in β ladder)trans-138.2161.1175.800000110.3V56V56-G75 PolarHBondContact N-O 3.25Å; V56-G75 PolarHBondContact O-N 3.3Å
76S90.1Very high88Confident73 Ų7366.5 Ų66.551%0.5139%0.386SS..EExtended strand (participates in β ladder)trans-141.2139.6173.455.10000109.9F54F54-S76 CarbonylContact O-C 3.48Å; F54-S76 VanDerWaalsContact O-CA 3.25Å; F54-S76 WeakPolarHBondContact O-CA 3.11Å
77T90.6Very high88.6Confident7 Ų765.1 Ų65.14%0.04338%0.375CS..  trans-85.2160.8173.371.20000110.1L29 F54 L80 V93L29-T77 HydrophobicContact CD1-CG2 3.98Å; F54-T77 HydrophobicContact CB-CG2 4.06Å; F54-T77 PolarHBondContact N-OG1 3.39Å; F54-T77 PolarHBondContact O-N 3.47Å; T77-L80 HydrophobicContact CG2-CD1 4.14Å; T77-V93 HydrophobicContact CG2-CG2 3.66Å
78P89.3Confident88.9Confident81 Ų8166.5 Ų66.553%0.52637%0.369SS..  trans-63175.8156.629.2-33.7000110.7Y53 L80Y53-P78 WeakPolarHBondContact CB-O 3.39Å; P78-L80 HydrophobicContact CG-CD2 4.02Å; P78-L80 WeakPolarHBondContact O-CG 3.44Å; P78-L80 PolarHBondContact O-N 2.79Å
79V89.1Confident88.1Confident37 Ų3769.4 Ų69.422%0.22438%0.382CS..  trans-63.6120.5170.3178.70000108.3R51 T52R51-V79 HydrophobicContact CB-CG1 3.94Å; R51-V79 HydrophobicContact CG-CG1 4.5Å; T52-V79 WeakPolarHBondContact O-CA 3.39Å
80L90.1Very high87.3Confident38 Ų3866.3 Ų66.320%0.19938%0.382CS..  trans-99.8-20.5-173-62-171.5000113.4L29 T52 F54 T77 P78 F85 I87 T91L29-L80 HydrophobicContact CD1-CD1 4.04Å; T52-L80 PolarHBondContact O-N 3.25Å; F54-L80 HydrophobicContact CD2-CD1 3.77Å; F54-L80 HydrophobicContact CD2-CG 4.4Å; F54-L80 HydrophobicContact CE2-CD1 4Å; T77-L80 HydrophobicContact CG2-CD1 4.14Å; P78-L80 HydrophobicContact CG-CD2 4.02Å; P78-L80 WeakPolarHBondContact O-CG 3.44Å; P78-L80 PolarHBondContact O-N 2.79Å; L80-F85 HydrophobicContact CB-CE2 3.62Å; L80-F85 HydrophobicContact CB-CZ 4.16Å; L80-I87 HydrophobicContact CD1-CD1 4.04Å; L80-I87 HydrophobicContact CD1-CG1 4.26Å; L80-I87 HydrophobicContact CD1-CG2 3.94Å; L80-T91 HydrophobicContact CD2-CG2 3.84Å
81G89.8Confident86.6Confident19 Ų1966 Ų6620%0.19638%0.379CS..EExtended strand (participates in β ladder)trans172.9-176.5179.400000112.8T52 F85T52-G81 PolarHBondContact N-O 2.88Å; G81-F85 VanDerWaalsContact C-CE1 3.47Å
82S89.8Confident86.6Confident53 Ų5363.5 Ų63.537%0.37137%0.368SS..EExtended strand (participates in β ladder)trans-118.6136.9177.7-66.80000111C50 S84C50-S82 WeakPolarHBondContact O-CA 3.24Å; S82-S84 PolarHBondContact O-N 3.19Å
83D89.7Confident86.7Confident42 Ų4262.8 Ų62.823%0.22537%0.367CS..SBendtrans55.6-93.4177.5-55.3-39.8000114.1F32 N34 A37 G49 C50F32-D83 WeakPolarHBondContact CD1-O 3.33Å; F32-D83 WeakPolarHBondContact CE1-O 3.23Å; N34-D83 WeakPolarHBondContact CB-O 3.48Å; N34-D83 PolarHBondContact N-O 2.92Å; A37-D83 WeakPolarHBondContact CB-OD1 3.32Å; G49-D83 WeakPolarHBondContact CA-OD2 3.33Å; C50-D83 WeakPolarHBondContact CB-OD1 3.19Å; C50-D83 PolarHBondContact N-OD1 3.26Å; C50-D83 PolarHBondContact O-N 2.94Å
84S92.5Very high86.9Confident55 Ų5569.7 Ų69.739%0.38539%0.386SS..SBendtrans-121.3119.6-179.7-56.30000110.4F32 Q33 N34 S82F32-S84 CarbonylContact O-C 3.55Å; F32-S84 VanDerWaalsContact O-CA 3.31Å; F32-S84 WeakPolarHBondContact O-CA 3.29Å; Q33-S84 WeakPolarHBondContact CG-OG 3.33Å; N34-S84 PolarHBondContact N-OG 3.3Å; N34-S84 PolarHBondContact O-OG 2.93Å; S82-S84 PolarHBondContact O-N 3.19Å
85F93.1Very high86.9Confident25 Ų2560.1 Ų60.111%0.1135%0.35CS..EExtended strand (participates in β ladder)trans-152151.1-17356.3-86.1000112.1H31 F32 T52 F54 L80 G81 I87H31-F85 PolarHBondContact ND1-O 3.05Å; F32-F85 HydrophobicContact CB-CE1 4.34Å; F32-F85 HydrophobicContact CB-CE2 4.4Å; F32-F85 HydrophobicContact CB-CZ 4.11Å; F32-F85 HydrophobicContact CD1-CD1 4.42Å; F32-F85 AromaticContact CD1-CE1 3.68Å; F32-F85 HydrophobicContact CD1-CE1 3.68Å; F32-F85 HydrophobicContact CD1-CZ 4.04Å; F32-F85 HydrophobicContact CG-CE1 4.46Å; F32-F85 HydrophobicContact CG-CZ 4.47Å; F32-F85 PolarHBondContact N-O 2.89Å; F32-F85 PolarHBondContact O-N 2.83Å; F32-F85 VanDerWaalsContact O-O 3.13Å; T52-F85 HydrophobicContact CG2-CE1 4.43Å; T52-F85 HydrophobicContact CG2-CZ 4.23Å; F54-F85 HydrophobicContact CE2-CE2 4.3Å; F54-F85 AromaticContact CE2-CZ 3.99Å; F54-F85 HydrophobicContact CE2-CZ 3.99Å; F54-F85 HydrophobicContact CZ-CZ 4.24Å; L80-F85 HydrophobicContact CB-CE2 3.62Å; L80-F85 HydrophobicContact CB-CZ 4.16Å; G81-F85 VanDerWaalsContact C-CE1 3.47Å; F85-I87 HydrophobicContact CD2-CG1 3.72Å; F85-I87 HydrophobicContact CE2-CD1 3.97Å; F85-I87 HydrophobicContact CE2-CG1 3.56Å
86S91.2Very high86.9Confident92 Ų9263.6 Ų63.664%0.64337%0.369SS*.EExtended strand (participates in β ladder)trans-91140166.3-60.40000109.3H31H31-S86 PolarHBondContact ND1-OG 2.83Å
87I90.2Very high86.9Confident23 Ų2360.1 Ų60.112%0.11835%0.345CS..PPolyproline II helixtrans-96.9139-173.8-63.1165.3000108.5L29 H30 F54 L80 F85 T91L29-I87 HydrophobicContact CB-CD1 3.45Å; L29-I87 VanDerWaalsContact CB-CD1 3.45Å; L29-I87 HydrophobicContact CB-CG2 4.34Å; L29-I87 HydrophobicContact CD1-CD1 4.44Å; L29-I87 VanDerWaalsContact O-CB 3.22Å; L29-I87 WeakPolarHBondContact O-CB 3.5Å; L29-I87 WeakPolarHBondContact O-CG2 3.24Å; H30-I87 PolarHBondContact O-N 2.02Å; F54-I87 HydrophobicContact CE2-CD1 4.12Å; L80-I87 HydrophobicContact CD1-CD1 4.04Å; L80-I87 HydrophobicContact CD1-CG1 4.26Å; L80-I87 HydrophobicContact CD1-CG2 3.94Å; F85-I87 HydrophobicContact CD2-CG1 3.72Å; F85-I87 HydrophobicContact CE2-CD1 3.97Å; F85-I87 HydrophobicContact CE2-CG1 3.56Å; I87-T91 HydrophobicContact CG2-CG2 4.43Å; I87-T91 WeakPolarHBondContact CG2-OG1 3.46Å
88Q79Confident86.6Confident163 Ų16365.2 Ų65.276%0.76237%0.372SS*.PPolyproline II helixtrans-79.4150.9178.3-64.4-174.510.100111.3D90 T91Q88-D90 PolarHBondContact O-N 2.92Å; Q88-T91 PolarHBondContact O-OG1 2.8Å
89S60.9Low86.3Confident109 Ų10964.4 Ų64.476%0.76236%0.36SS*.THydrogen-bonded Turntrans-67.30.4-1679.70000117
90D66.9Low86Confident159 Ų15965.4 Ų65.485%0.8537%0.367SS*.THydrogen-bonded Turntrans-103.519.1-178.3-160.425.2000113.3Q88Q88-D90 PolarHBondContact O-N 2.92Å
91T75.9Confident85.8Confident35 Ų3564.6 Ų64.622%0.21536%0.361CS..  trans-111.132.7-174.662.10000113.5L80 I87 Q88 V93L80-T91 HydrophobicContact CD2-CG2 3.84Å; I87-T91 HydrophobicContact CG2-CG2 4.43Å; I87-T91 WeakPolarHBondContact CG2-OG1 3.46Å; Q88-T91 PolarHBondContact O-OG1 2.8Å; T91-V93 PolarHBondContact O-N 3.42Å
92T88.4Confident85.7Confident42 Ų4267.1 Ų67.126%0.25837%0.374SS..  trans-67.6118.9177.5-500000111.2E26 I27 D28 R94 W145E26-T92 HydrophobicContact CB-CG2 3.9Å; I27-T92 CarbonylContact O-C 3.53Å; I27-T92 VanDerWaalsContact O-CA 3.29Å; I27-T92 WeakPolarHBondContact O-CA 3.48Å; I27-T92 WeakPolarHBondContact O-CG2 3.5Å; D28-T92 PolarHBondContact OD1-OG1 2.84Å; T92-R94 HydrophobicContact CG2-CG 4.42Å; T92-R94 PolarHBondContact O-N 3Å; T92-W145 HydrophobicContact CG2-CH2 4.03Å
93V91.6Very high85.5Confident15 Ų1565.9 Ų65.99%0.09137%0.37CS..EExtended strand (participates in β ladder)trans-80.3117.9172.7-178.30000108.7E26 I27 V56 T77 T91 L95E26-V93 WeakPolarHBondContact CA-O 3.48Å; I27-V93 HydrophobicContact CB-CB 4.45Å; I27-V93 PolarHBondContact N-O 3.01Å; I27-V93 PolarHBondContact O-N 3.38Å; V56-V93 HydrophobicContact CB-CG1 4.45Å; V56-V93 HydrophobicContact CG2-CG1 4.28Å; V56-V93 HydrophobicContact CG2-CG2 4.35Å; T77-V93 HydrophobicContact CG2-CG2 3.66Å; T91-V93 PolarHBondContact O-N 3.42Å; V93-L95 HydrophobicContact CG1-CD2 4.26Å; V93-L95 HydrophobicContact CG1-CG 4.44Å
94R93.2Very high85.6Confident167 Ų16764.9 Ų64.963%0.6337%0.367SS*.EExtended strand (participates in β ladder)trans-104.8122.4178.6-65-174.9171.3140.37.6111.1V24 E26 T92V24-R94 HydrophobicContact CG1-CB 3.85Å; V24-R94 HydrophobicContact CG1-CG 4.23Å; E26-R94 HydrophobicContact CG-CG 4.25Å; E26-R94 IonicContact OE1-CZ 3.54Å; E26-R94 IonicContact OE1-NE 3.9Å; E26-R94 PolarHBondContact OE1-NE 2.79Å; E26-R94 IonicContact OE1-NH2 3.71Å; T92-R94 HydrophobicContact CG2-CG 4.42Å; T92-R94 PolarHBondContact O-N 3Å
95L93.1Very high85.7Confident8 Ų862.2 Ų62.24%0.04235%0.349CS..EExtended strand (participates in β ladder)trans-112.799.1176.3-58.5178.1000109F25 V56 L58 R74 V93F25-L95 HydrophobicContact CB-CB 4.34Å; F25-L95 PolarHBondContact N-O 2.82Å; F25-L95 PolarHBondContact O-N 2.8Å; V56-L95 HydrophobicContact CG1-CD1 3.99Å; L58-L95 HydrophobicContact CB-CD1 3.83Å; L58-L95 HydrophobicContact CD2-CD1 4.26Å; R74-L95 VanDerWaalsContact C-CD2 3.5Å; V93-L95 HydrophobicContact CG1-CD2 4.26Å; V93-L95 HydrophobicContact CG1-CG 4.44Å
96P91.3Very high85.7Confident92 Ų9261 Ų6160%0.59734%0.343SS*.EExtended strand (participates in β ladder)trans-70.6132.1177.428.7-33.2000110.6
97L89.1Confident85.9Confident1 Ų156.7 Ų56.71%0.00531%0.313CS..EExtended strand (participates in β ladder)trans-114.8123.2179-51-180000108.8S22 S23 F25 F72 F99 W101 I165S22-L97 WeakPolarHBondContact CA-O 3.49Å; S23-L97 PolarHBondContact N-O 3.18Å; S23-L97 VanDerWaalsContact N-O 3.11Å; S23-L97 PolarHBondContact O-N 2.81Å; F25-L97 HydrophobicContact CB-CD1 4.4Å; F72-L97 HydrophobicContact CB-CD2 4.05Å; F72-L97 WeakPolarHBondContact O-CD2 3.4Å; L97-F99 HydrophobicContact CB-CD1 4.42Å; L97-F99 HydrophobicContact CB-CE1 4Å; L97-F99 HydrophobicContact CB-CZ 4.08Å; L97-F99 HydrophobicContact CD1-CZ 4.18Å; L97-F99 HydrophobicContact CD2-CE1 3.93Å; L97-F99 HydrophobicContact CD2-CZ 3.8Å; L97-F99 HydrophobicContact CG-CE1 4.47Å; L97-F99 HydrophobicContact CG-CZ 4.24Å; L97-W101 HydrophobicContact CD1-CE3 3.68Å; L97-W101 HydrophobicContact CD1-CZ3 3.85Å; L97-I165 HydrophobicContact CD1-CD1 4.02Å
98N85.3Confident86Confident113 Ų11356.1 Ų56.160%0.60431%0.311SS*.  trans-103.137.1178.4-64.4-19.3000111.3L20 G21L20-N98 VanDerWaalsContact CD2-O 3.31Å; L20-N98 WeakPolarHBondContact CD2-O 3.36Å; G21-N98 CarbonylContact O-C 3.44Å
99F82.6Confident86.6Confident64 Ų6448.4 Ų48.428%0.28127%0.274SS..SBendtrans-148.7160.3177.857.5-92.9000108.8G21 F72 L97 W101G21-F99 CarbonylContact O-C 3.59Å; G21-F99 PolarHBondContact O-N 2.77Å; G21-F99 VanDerWaalsContact O-N 3.12Å; F72-F99 HydrophobicContact CB-CZ 3.98Å; F72-F99 HydrophobicContact CD1-CE1 4.18Å; F72-F99 AromaticContact CD1-CE2 3.73Å; F72-F99 HydrophobicContact CD1-CE2 3.73Å; F72-F99 AromaticContact CD1-CZ 3.26Å; F72-F99 HydrophobicContact CD1-CZ 3.26Å; F72-F99 AromaticContact CE1-CE2 3.85Å; F72-F99 HydrophobicContact CE1-CE2 3.85Å; F72-F99 AromaticContact CE1-CZ 3.87Å; F72-F99 HydrophobicContact CE1-CZ 3.87Å; F72-F99 HydrophobicContact CG-CE2 4.35Å; F72-F99 AromaticContact CG-CZ 3.75Å; F72-F99 HydrophobicContact CG-CZ 3.75Å; L97-F99 HydrophobicContact CB-CD1 4.42Å; L97-F99 HydrophobicContact CB-CE1 4Å; L97-F99 HydrophobicContact CB-CZ 4.08Å; L97-F99 HydrophobicContact CD1-CZ 4.18Å; L97-F99 HydrophobicContact CD2-CE1 3.93Å; L97-F99 HydrophobicContact CD2-CZ 3.8Å; L97-F99 HydrophobicContact CG-CE1 4.47Å; L97-F99 HydrophobicContact CG-CZ 4.24Å; F99-W101 PolarHBondContact O-N 2.92Å
100T81.8Confident88.1Confident59 Ų5946 Ų4636%0.36225%0.251SS..  trans-60.5125.5178.3-47.90000111.1V19 P102 T175V19-T100 PolarHBondContact O-OG1 3.3Å; T100-P102 WeakPolarHBondContact O-CD 3.34Å; T100-T175 HydrophobicContact CG2-CG2 3.86Å
101W87.3Confident89.3Confident21 Ų2138.4 Ų38.48%0.0821%0.21CC..  trans-58.1123.4178176-119.3000111.1F25 L58 F72 L97 F99 G103 F105 L139 I141 I165F25-W101 AromaticContact CD2-CH2 3.77Å; F25-W101 HydrophobicContact CD2-CH2 3.77Å; F25-W101 HydrophobicContact CD2-CZ2 4.48Å; F25-W101 HydrophobicContact CD2-CZ3 4.07Å; F25-W101 AromaticContact CE2-CH2 3.76Å; F25-W101 HydrophobicContact CE2-CH2 3.76Å; F25-W101 HydrophobicContact CE2-CZ2 4.31Å; F25-W101 HydrophobicContact CE2-CZ3 4.49Å; L58-W101 HydrophobicContact CD2-CZ3 4.5Å; F72-W101 HydrophobicContact CD2-CZ3 4.5Å; L97-W101 HydrophobicContact CD1-CE3 3.68Å; L97-W101 HydrophobicContact CD1-CZ3 3.85Å; F99-W101 PolarHBondContact O-N 2.92Å; W101-G103 VanDerWaalsContact NE1-CA 3.32Å; W101-G103 PolarHBondContact O-N 2.94Å; W101-F105 HydrophobicContact CH2-CB 3.69Å; W101-F105 AromaticContact CH2-CD1 3.62Å; W101-F105 HydrophobicContact CH2-CD1 3.62Å; W101-F105 HydrophobicContact CH2-CE1 4.48Å; W101-F105 AromaticContact CH2-CG 3.8Å; W101-F105 HydrophobicContact CH2-CG 3.8Å; W101-F105 HydrophobicContact CZ2-CB 4.37Å; W101-F105 AromaticContact CZ2-CD1 3.64Å; W101-F105 HydrophobicContact CZ2-CD1 3.64Å; W101-F105 HydrophobicContact CZ2-CE1 4.34Å; W101-F105 HydrophobicContact CZ2-CG 4.29Å; W101-F105 HydrophobicContact CZ3-CB 4.47Å; W101-L139 HydrophobicContact CZ2-CB 4.26Å; W101-L139 PolarHBondContact NE1-O 3.28Å; W101-I141 HydrophobicContact CB-CD1 3.89Å; W101-I141 HydrophobicContact CB-CG1 4.3Å; W101-I141 HydrophobicContact CG-CD1 4.4Å; W101-I141 HydrophobicContact CG-CG1 4.28Å; W101-I165 HydrophobicContact CB-CD1 3.97Å; W101-I165 HydrophobicContact CD2-CD1 3.2Å; W101-I165 HydrophobicContact CE3-CD1 3.22Å; W101-I165 HydrophobicContact CG-CD1 3.53Å; W101-I165 HydrophobicContact CH2-CD1 4.29Å; W101-I165 HydrophobicContact CZ2-CD1 4.28Å; W101-I165 HydrophobicContact CZ2-CG2 4.49Å; W101-I165 HydrophobicContact CZ3-CD1 3.81Å
102P86.4Confident90Very high72 Ų7237.6 Ų37.647%0.46820%0.204SC..  trans-76.2-2.3-176.529.7-37.2000114.4F72 T100 A104F72-P102 HydrophobicContact CE1-CG 4.47Å; F72-P102 HydrophobicContact CE2-CG 3.85Å; F72-P102 HydrophobicContact CZ-CG 3.61Å; T100-P102 WeakPolarHBondContact O-CD 3.34Å; P102-A104 PolarHBondContact O-N 3.46Å; P102-A104 VanDerWaalsContact O-N 3.07Å
103G87.1Confident90.1Very high27 Ų2736.5 Ų36.528%0.27820%0.195SC..SBendtrans80.4-29.8-177.900000114.5W101 Q138 L139W101-G103 VanDerWaalsContact NE1-CA 3.32Å; W101-G103 PolarHBondContact O-N 2.94Å; G103-Q138 CarbonylContact O-C 3.56Å; G103-Q138 VanDerWaalsContact O-CA 3.24Å; G103-Q138 WeakPolarHBondContact O-CA 3.38Å; G103-L139 PolarHBondContact O-N 2.04Å
104A91.6Very high89.9Confident20 Ų2035.8 Ų35.817%0.16519%0.191CC..EExtended strand (participates in β ladder)trans-124.4141.2-178.700000112.4F61 P102 S137 Q138F61-A104 HydrophobicContact CB-CB 3.75Å; F61-A104 HydrophobicContact CD2-CB 4.09Å; F61-A104 HydrophobicContact CG-CB 4.07Å; P102-A104 PolarHBondContact O-N 3.46Å; P102-A104 VanDerWaalsContact O-N 3.07Å; A104-S137 WeakPolarHBondContact CA-O 3.38Å; A104-Q138 HydrophobicContact CB-CG 3.96Å
105F93.9Very high89.3Confident0 Ų031.2 Ų31.20%018%0.183CC..EExtended strand (participates in β ladder)trans-146.4163.4-176.469.4-79.6000112.7F25 L58 F72 W101 L107 T135 Q136 S137 L139 Y163F25-F105 HydrophobicContact CE2-CD1 4.36Å; F25-F105 HydrophobicContact CE2-CD2 4.38Å; F25-F105 HydrophobicContact CE2-CE1 4.18Å; F25-F105 HydrophobicContact CE2-CE2 4.2Å; F25-F105 HydrophobicContact CE2-CG 4.46Å; F25-F105 HydrophobicContact CE2-CZ 4.09Å; F25-F105 HydrophobicContact CZ-CD2 4.17Å; F25-F105 HydrophobicContact CZ-CE1 4.37Å; F25-F105 AromaticContact CZ-CE2 3.71Å; F25-F105 HydrophobicContact CZ-CE2 3.71Å; F25-F105 AromaticContact CZ-CZ 3.82Å; F25-F105 HydrophobicContact CZ-CZ 3.82Å; L58-F105 HydrophobicContact CD1-CB 4.16Å; L58-F105 HydrophobicContact CD1-CD2 3.51Å; L58-F105 HydrophobicContact CD1-CE2 4.26Å; L58-F105 HydrophobicContact CD1-CG 4.11Å; F72-F105 HydrophobicContact CE2-CB 4.39Å; W101-F105 HydrophobicContact CH2-CB 3.69Å; W101-F105 AromaticContact CH2-CD1 3.62Å; W101-F105 HydrophobicContact CH2-CD1 3.62Å; W101-F105 HydrophobicContact CH2-CE1 4.48Å; W101-F105 AromaticContact CH2-CG 3.8Å; W101-F105 HydrophobicContact CH2-CG 3.8Å; W101-F105 HydrophobicContact CZ2-CB 4.37Å; W101-F105 AromaticContact CZ2-CD1 3.64Å; W101-F105 HydrophobicContact CZ2-CD1 3.64Å; W101-F105 HydrophobicContact CZ2-CE1 4.34Å; W101-F105 HydrophobicContact CZ2-CG 4.29Å; W101-F105 HydrophobicContact CZ3-CB 4.47Å; F105-L107 HydrophobicContact CD2-CB 3.78Å; F105-L107 HydrophobicContact CE2-CB 3.57Å; F105-L107 HydrophobicContact CE2-CD2 4.3Å; F105-T135 HydrophobicContact CE2-CG2 4.47Å; F105-Q136 WeakPolarHBondContact O-CA 3.44Å; F105-S137 WeakPolarHBondContact CD1-O 3.03Å; F105-S137 PolarHBondContact N-O 3.01Å; F105-S137 PolarHBondContact O-N 2.98Å; F105-L139 HydrophobicContact CD1-CB 4.39Å; F105-L139 HydrophobicContact CE1-CB 3.76Å; F105-L139 HydrophobicContact CE1-CD2 4.24Å; F105-Y163 HydrophobicContact CE1-CE2 4.19Å; F105-Y163 AromaticContact CZ-CD2 3.99Å; F105-Y163 HydrophobicContact CZ-CD2 3.99Å; F105-Y163 HydrophobicContact CZ-CE1 4.43Å; F105-Y163 AromaticContact CZ-CE2 3.58Å; F105-Y163 HydrophobicContact CZ-CE2 3.58Å; F105-Y163 AromaticContact CZ-CZ 3.83Å
106S94.2Very high88.4Confident0 Ų033 Ų330%020%0.198CC..EExtended strand (participates in β ladder)trans-116.9133.4160.1-38.80000108.8K59 N60 F61 Q62 T135K59-S106 WeakPolarHBondContact CG-O 3.47Å; K59-S106 PolarHBondContact N-O 2.82Å; K59-S106 PolarHBondContact O-N 2.83Å; N60-S106 WeakPolarHBondContact O-CB 3.42Å; N60-S106 PolarHBondContact O-OG 3.12Å; F61-S106 WeakPolarHBondContact CA-OG 3.45Å; Q62-S106 PolarHBondContact N-OG 3.22Å; S106-T135 CarbonylContact C-O 3.5Å; S106-T135 WeakPolarHBondContact CA-O 3.41Å
107L93.5Very high87.1Confident0 Ų031.9 Ų31.90%020%0.197CC..EExtended strand (participates in β ladder)trans-119.3127.9179.1166.866.4000108.4F25 I27 V56 L58 F105 I109 A134 T135 Y161 Y163F25-L107 HydrophobicContact CE1-CD2 4.44Å; I27-L107 HydrophobicContact CD1-CD1 3.81Å; I27-L107 HydrophobicContact CD1-CD2 4.31Å; V56-L107 HydrophobicContact CG1-CD1 3.65Å; L58-L107 HydrophobicContact CD1-CB 4.16Å; L58-L107 HydrophobicContact CD1-CD1 4.3Å; F105-L107 HydrophobicContact CD2-CB 3.78Å; F105-L107 HydrophobicContact CE2-CB 3.57Å; F105-L107 HydrophobicContact CE2-CD2 4.3Å; L107-I109 HydrophobicContact CD1-CG1 4.08Å; L107-I109 HydrophobicContact CD2-CD1 4.18Å; L107-I109 HydrophobicContact CD2-CG1 4.39Å; L107-I109 HydrophobicContact CG-CD1 4.42Å; L107-I109 HydrophobicContact CG-CG1 4.08Å; L107-A134 WeakPolarHBondContact O-CA 3.23Å; L107-T135 HydrophobicContact CB-CG2 3.72Å; L107-T135 HydrophobicContact CD2-CG2 4Å; L107-T135 HydrophobicContact CG-CG2 4.15Å; L107-T135 PolarHBondContact N-O 2.93Å; L107-T135 PolarHBondContact O-N 2.97Å; L107-Y161 HydrophobicContact CD2-CE2 3.86Å; L107-Y163 HydrophobicContact CD2-CD1 4.21Å
108V92.6Very high85.7Confident12 Ų1240.1 Ų40.17%0.07324%0.235CC..EExtended strand (participates in β ladder)trans-117.9122.7173.5-179.30000108.2C57 V65 E110 F133 A134C57-V108 HydrophobicContact CB-CB 4.25Å; C57-V108 PolarHBondContact N-O 3.35Å; C57-V108 PolarHBondContact O-N 3.43Å; V65-V108 HydrophobicContact CG1-CG2 3.53Å; V108-E110 HydrophobicContact CG1-CG 4Å; V108-F133 CarbonylContact C-O 3.57Å; V108-F133 WeakPolarHBondContact CA-O 3.27Å; V108-A134 HydrophobicContact CG2-CB 4.4Å
109I92.8Very high84.7Confident0 Ų041.5 Ų41.50%024%0.238CC..EExtended strand (participates in β ladder)trans-112.9123.1173.7-55175.5000107.4I27 L29 F54 R55 L107 F133 L159 Y161I27-I109 HydrophobicContact CG2-CD1 4.41Å; L29-I109 HydrophobicContact CD2-CD1 4.27Å; F54-I109 HydrophobicContact CB-CG2 4.35Å; F54-I109 HydrophobicContact CD1-CG2 3.86Å; R55-I109 CarbonylContact O-C 3.5Å; R55-I109 WeakPolarHBondContact O-CA 3.31Å; L107-I109 HydrophobicContact CD1-CG1 4.08Å; L107-I109 HydrophobicContact CD2-CD1 4.18Å; L107-I109 HydrophobicContact CD2-CG1 4.39Å; L107-I109 HydrophobicContact CG-CD1 4.42Å; L107-I109 HydrophobicContact CG-CG1 4.08Å; I109-F133 HydrophobicContact CB-CB 4.44Å; I109-F133 PolarHBondContact N-O 3.11Å; I109-F133 WeakPolarHBondContact O-CD2 3.35Å; I109-F133 PolarHBondContact O-N 3.26Å; I109-L159 HydrophobicContact CB-CD2 4.1Å; I109-L159 HydrophobicContact CD1-CD2 4.05Å; I109-L159 HydrophobicContact CG2-CD2 3.75Å; I109-Y161 HydrophobicContact CD1-CD1 4.12Å; I109-Y161 HydrophobicContact CD1-CD2 3.75Å; I109-Y161 HydrophobicContact CD1-CE1 4.13Å; I109-Y161 HydrophobicContact CD1-CE2 3.77Å; I109-Y161 HydrophobicContact CD1-CG 3.92Å
110E91.9Very high83.7Confident58 Ų5841.4 Ų41.427%0.27124%0.244SC..EExtended strand (participates in β ladder)trans-113.7127.6179.1-59.1175.5160.800109.5F54 R55 V108 W112 L129F54-E110 CarbonylContact C-O 3.58Å; F54-E110 VanDerWaalsContact CA-O 3.31Å; F54-E110 WeakPolarHBondContact CA-O 3.45Å; R55-E110 HydrophobicContact CB-CB 4.42Å; R55-E110 PolarHBondContact N-O 3.19Å; R55-E110 PolarHBondContact O-N 3.08Å; V108-E110 HydrophobicContact CG1-CG 4Å; E110-W112 PolarHBondContact OE2-NE1 3.25Å; E110-L129 HydrophobicContact CB-CD1 4.01Å; E110-L129 HydrophobicContact CG-CD1 4.44Å
111A92Very high82.7Confident0 Ų039.2 Ų39.20%023%0.233CC..EExtended strand (participates in β ladder)trans-88122.617000000108.8F32 T52 F54 I130 S131 F133F32-A111 HydrophobicContact CE2-CB 3.81Å; F32-A111 HydrophobicContact CZ-CB 3.77Å; T52-A111 HydrophobicContact CG2-CB 3.97Å; F54-A111 HydrophobicContact CD1-CB 4.15Å; F54-A111 HydrophobicContact CE1-CB 3.79Å; A111-I130 HydrophobicContact CB-CB 4.1Å; A111-I130 HydrophobicContact CB-CG2 4.47Å; A111-I130 WeakPolarHBondContact O-CA 3.29Å; A111-I130 WeakPolarHBondContact O-CB 3.44Å; A111-I130 PolarHBondContact O-N 2.96Å; A111-S131 PolarHBondContact N-O 3.16Å; A111-S131 PolarHBondContact O-N 3.36Å; A111-F133 HydrophobicContact CB-CE2 4.39Å
112W90.9Very high81.3Confident19 Ų1943.9 Ų43.97%0.07226%0.26CS..EExtended strand (participates in β ladder)trans-121.5142.1-175.8-76.686.2000111.3T52 Y53 E110 N125 L128 L129T52-W112 WeakPolarHBondContact CA-O 3.44Å; Y53-W112 HydrophobicContact CD1-CB 3.87Å; Y53-W112 VanDerWaalsContact CD1-O 3.27Å; Y53-W112 WeakPolarHBondContact CD1-O 3.48Å; Y53-W112 HydrophobicContact CE1-CB 3.3Å; Y53-W112 HydrophobicContact CE1-CG 4.38Å; Y53-W112 HydrophobicContact CE2-CB 4.05Å; Y53-W112 HydrophobicContact CG-CB 4.45Å; Y53-W112 PolarHBondContact N-O 3.38Å; Y53-W112 PolarHBondContact O-N 2.94Å; E110-W112 PolarHBondContact OE2-NE1 3.25Å; W112-N125 WeakPolarHBondContact CZ3-O 3Å; W112-L128 HydrophobicContact CE3-CB 4Å; W112-L128 HydrophobicContact CZ3-CB 4.13Å; W112-L129 HydrophobicContact CD2-CD1 4.15Å; W112-L129 HydrophobicContact CE3-CB 4.46Å; W112-L129 HydrophobicContact CH2-CB 4.33Å; W112-L129 HydrophobicContact CZ2-CD1 3.96Å; W112-L129 HydrophobicContact CZ3-CB 4.3Å
113Y89.8Confident79.9Confident19 Ų1942.9 Ų42.98%0.07525%0.254CS..EExtended strand (participates in β ladder)trans-81.7131171.1172.6-123.3000110.4L39 C45 R51 P115 L128L39-Y113 HydrophobicContact CD2-CG 4.38Å; C45-Y113 HydrophobicContact CB-CD1 4.4Å; C45-Y113 HydrophobicContact CB-CD2 3.98Å; C45-Y113 HydrophobicContact CB-CE1 4.48Å; C45-Y113 HydrophobicContact CB-CE2 4.06Å; C45-Y113 HydrophobicContact CB-CG 4.17Å; R51-Y113 HydrophobicContact CB-CD2 4.35Å; R51-Y113 HydrophobicContact CB-CE2 4.22Å; R51-Y113 PolarHBondContact NH2-OH 2.96Å; R51-Y113 WeakPolarHBondContact O-CA 2.98Å; Y113-P115 HydrophobicContact CD1-CG 4.47Å; Y113-P115 HydrophobicContact CE1-CG 4.17Å; Y113-L128 HydrophobicContact CD1-CD2 3.94Å; Y113-L128 PolarHBondContact N-O 2.97Å
114S87.7Confident78.7Confident0 Ų045.8 Ų45.80%027%0.27CS..  trans-100.7120.7168.7-165.20000112R51 A116 Q119 G121R51-S114 VanDerWaalsContact CZ-O 3.3Å; R51-S114 PolarHBondContact NE-O 2.91Å; R51-S114 PolarHBondContact NH2-O 2.94Å; R51-S114 VanDerWaalsContact NH2-O 3.11Å; R51-S114 PolarHBondContact O-N 3.04Å; S114-A116 PolarHBondContact O-N 3.26Å; S114-A116 PolarHBondContact OG-N 3.37Å; S114-A116 PolarHBondContact OG-O 2.83Å; S114-Q119 PolarHBondContact OG-O 3.04Å; S114-G121 PolarHBondContact OG-N 3.18Å
115P79.9Confident77.8Confident71 Ų7148.7 Ų48.746%0.46128%0.283SS..SBendtrans-70.3-18.5169.8-18.832.3000113.7R51 Y113 L128R51-P115 PolarHBondContact NH2-O 3Å; Y113-P115 HydrophobicContact CD1-CG 4.47Å; Y113-P115 HydrophobicContact CE1-CG 4.17Å; P115-L128 HydrophobicContact CG-CD1 4.12Å; P115-L128 HydrophobicContact CG-CD2 4.26Å
116A74.6Confident76.9Confident45 Ų4553.8 Ų53.837%0.37232%0.316SS..SBendtrans-94.3147.5175.400000110.6S114 E118S114-A116 PolarHBondContact O-N 3.26Å; S114-A116 PolarHBondContact OG-N 3.37Å; S114-A116 PolarHBondContact OG-O 2.83Å; A116-E118 PolarHBondContact O-N 2.91Å
117A63.6Low76.1Confident69 Ų6954.8 Ų54.857%0.5733%0.327SS*.SBendtrans-69.2-28.7-172.700000114.6
118E61Low75.8Confident174 Ų17456.2 Ų56.281%0.81333%0.334SS*.SBendtrans-135-7.4-168.5-65.9-178.3173.300115A116A116-E118 PolarHBondContact O-N 2.91Å
119Q63.2Low75.6Confident142 Ų14257.5 Ų57.566%0.66434%0.34SS*.SBendtrans-120.2144-177.3-71-173.6-1400112S114 G121S114-Q119 PolarHBondContact OG-O 3.04Å; Q119-G121 PolarHBondContact O-N 2.73Å
120P63Low75.5Confident61 Ų6157.5 Ų57.540%0.39634%0.341SS..PPolyproline II helixtrans-61.7118.1171.324.3-31.1000109.6Y53Y53-P120 HydrophobicContact CD2-CB 3.78Å; Y53-P120 HydrophobicContact CE2-CB 3.61Å; Y53-P120 HydrophobicContact CG-CB 4.31Å
121G60.2Low75.5Confident14 Ų1454.9 Ų54.914%0.14433%0.329CS..PPolyproline II helixtrans-67.6164.8-176.900000114.3Y53 R55 S114 Q119 S123Y53-G121 PolarHBondContact OH-O 3.2Å; R55-G121 PolarHBondContact NH2-O 3.22Å; S114-G121 PolarHBondContact OG-N 3.18Å; Q119-G121 PolarHBondContact O-N 2.73Å; G121-S123 PolarHBondContact O-N 2.89Å
122D57.8Low75.4Confident118 Ų11856.9 Ų56.963%0.63134%0.342SS*.PPolyproline II helixtrans-59119.6-179.3-169.26.3000111.9S124D122-S124 VanDerWaalsContact C-N 3.25Å; D122-S124 PolarHBondContact O-N 2.74Å; D122-S124 PolarHBondContact OD1-N 2.92Å; D122-S124 PolarHBondContact OD1-OG 2.91Å; D122-S124 PolarHBondContact OD2-OG 2.75Å
123S57Low75.4Confident51 Ų5156.2 Ų56.236%0.35734%0.34SS..THydrogen-bonded Turntrans-75.1-7-176.217.30000116R55 G121 N125R55-S123 PolarHBondContact NH1-OG 2.97Å; R55-S123 PolarHBondContact NH2-OG 3.41Å; R55-S123 VanDerWaalsContact NH2-OG 3.08Å; G121-S123 PolarHBondContact O-N 2.89Å; S123-N125 PolarHBondContact O-N 3.43Å
124S60.8Low75.5Confident88 Ų8857.3 Ų57.362%0.61535%0.353SS*.THydrogen-bonded Turntrans-65.8-18.8-175.957.50000112.5D122 P126D122-S124 VanDerWaalsContact C-N 3.25Å; D122-S124 PolarHBondContact O-N 2.74Å; D122-S124 PolarHBondContact OD1-N 2.92Å; D122-S124 PolarHBondContact OD1-OG 2.91Å; D122-S124 PolarHBondContact OD2-OG 2.75Å; S124-P126 VanDerWaalsContact O-CD 3.29Å; S124-P126 WeakPolarHBondContact O-CD 3.46Å
125N72.9Confident75.6Confident82 Ų8258.1 Ų58.144%0.43936%0.358SS..  trans-99102.5-178.8-171.4-6.4000112.7W112 S123 G127 L128W112-N125 WeakPolarHBondContact CZ3-O 3Å; S123-N125 PolarHBondContact O-N 3.43Å; N125-G127 PolarHBondContact O-N 2.87Å; N125-G127 PolarHBondContact OD1-N 2.95Å; N125-L128 HydrophobicContact CB-CD1 4.29Å; N125-L128 HydrophobicContact CB-CG 4.38Å; N125-L128 PolarHBondContact O-N 2.78Å
126P75Confident76.1Confident106 Ų10658.9 Ų58.969%0.68836%0.356SS*.G310 helixtrans-63.5-13.4178.327.8-35.4000113.4S124 L128 L129S124-P126 VanDerWaalsContact O-CD 3.29Å; S124-P126 WeakPolarHBondContact O-CD 3.46Å; P126-L128 PolarHBondContact O-N 3.05Å; P126-L129 PolarHBondContact O-N 2.86Å
127G78.4Confident77Confident22 Ų2258.4 Ų58.423%0.22735%0.35CS..G310 helixtrans-69.9-817700000115.2N41 N125N41-G127 PolarHBondContact ND2-O 2.03Å; N125-G127 PolarHBondContact O-N 2.87Å; N125-G127 PolarHBondContact OD1-N 2.95Å
128L86.6Confident78.3Confident30 Ų3062.6 Ų62.616%0.15736%0.357CS..G310 helixtrans-100.21.4179.9-58.9176.3000113.9W112 Y113 P115 N125 P126W112-L128 HydrophobicContact CE3-CB 4Å; W112-L128 HydrophobicContact CZ3-CB 4.13Å; Y113-L128 HydrophobicContact CD1-CD2 3.94Å; Y113-L128 PolarHBondContact N-O 2.97Å; P115-L128 HydrophobicContact CG-CD1 4.12Å; P115-L128 HydrophobicContact CG-CD2 4.26Å; N125-L128 HydrophobicContact CB-CD1 4.29Å; N125-L128 HydrophobicContact CB-CG 4.38Å; N125-L128 PolarHBondContact O-N 2.78Å; P126-L128 PolarHBondContact O-N 3.05Å
129L88.8Confident79.8Confident38 Ų3855.2 Ų55.220%0.19932%0.323CS..EExtended strand (participates in β ladder)trans-69.6131.4177.2-177.170000110A40 E110 W112 P126A40-L129 HydrophobicContact CB-CB 4.4Å; A40-L129 HydrophobicContact CB-CD2 4.28Å; A40-L129 HydrophobicContact CB-CG 4.26Å; A40-L129 WeakPolarHBondContact CB-O 3.22Å; A40-L129 PolarHBondContact N-O 3.49Å; E110-L129 HydrophobicContact CB-CD1 4.01Å; E110-L129 HydrophobicContact CG-CD1 4.44Å; W112-L129 HydrophobicContact CD2-CD1 4.15Å; W112-L129 HydrophobicContact CE3-CB 4.46Å; W112-L129 HydrophobicContact CH2-CB 4.33Å; W112-L129 HydrophobicContact CZ2-CD1 3.96Å; W112-L129 HydrophobicContact CZ3-CB 4.3Å; P126-L129 PolarHBondContact O-N 2.86Å
130I90.1Very high81.1Confident1 Ų156.8 Ų56.81%0.00533%0.331CS..EExtended strand (participates in β ladder)trans-88.7-54.6173.1-62.6166.2000109.4F32 N34 L39 A40 C50 T52 A111 T157F32-I130 HydrophobicContact CZ-CG2 3.98Å; N34-I130 WeakPolarHBondContact ND2-CG2 3.49Å; L39-I130 HydrophobicContact CD2-CG1 3.93Å; A40-I130 WeakPolarHBondContact CA-O 3.16Å; A40-I130 WeakPolarHBondContact CB-O 3.12Å; A40-I130 PolarHBondContact N-O 3.07Å; C50-I130 HydrophobicContact CB-CD1 4Å; T52-I130 HydrophobicContact CG2-CD1 3.99Å; T52-I130 VanDerWaalsContact OG1-CD1 3.29Å; T52-I130 WeakPolarHBondContact OG1-CD1 3.37Å; A111-I130 HydrophobicContact CB-CB 4.1Å; A111-I130 HydrophobicContact CB-CG2 4.47Å; A111-I130 WeakPolarHBondContact O-CA 3.29Å; A111-I130 WeakPolarHBondContact O-CB 3.44Å; A111-I130 PolarHBondContact O-N 2.96Å; I130-T157 HydrophobicContact CG2-CG2 4.11Å
131S91.4Very high82.3Confident2 Ų255.6 Ų55.61%0.01432%0.32CS..EExtended strand (participates in β ladder)trans-161.7158.4-178.8-165.50000111A111 G152 T157A111-S131 PolarHBondContact N-O 3.16Å; A111-S131 PolarHBondContact O-N 3.36Å; S131-G152 WeakPolarHBondContact OG-CA 3.45Å; S131-T157 VanDerWaalsContact CB-OG1 3.25Å; S131-T157 WeakPolarHBondContact CB-OG1 2.96Å; S131-T157 PolarHBondContact OG-OG1 2.78Å
132S90.6Very high83.7Confident42 Ų4255.9 Ų55.929%0.29432%0.324SS..EExtended strand (participates in β ladder)trans-125.6135.8175.1-1750000109.4
133F91.5Very high85.2Confident5 Ų554.4 Ų54.42%0.02232%0.321CS..EExtended strand (participates in β ladder)trans-121.7125.8-179.3-56-89.4000107.8F32 V108 I109 A111 Q150 G152 L159F32-F133 HydrophobicContact CD2-CE2 4.46Å; F32-F133 HydrophobicContact CD2-CZ 4.39Å; F32-F133 AromaticContact CE2-CE2 3.92Å; F32-F133 HydrophobicContact CE2-CE2 3.92Å; F32-F133 AromaticContact CE2-CZ 3.88Å; F32-F133 HydrophobicContact CE2-CZ 3.88Å; V108-F133 CarbonylContact C-O 3.57Å; V108-F133 WeakPolarHBondContact CA-O 3.27Å; I109-F133 HydrophobicContact CB-CB 4.44Å; I109-F133 PolarHBondContact N-O 3.11Å; I109-F133 WeakPolarHBondContact O-CD2 3.35Å; I109-F133 PolarHBondContact O-N 3.26Å; A111-F133 HydrophobicContact CB-CE2 4.39Å; F133-Q150 HydrophobicContact CD1-CB 3.93Å; F133-Q150 WeakPolarHBondContact CE1-O 3.46Å; F133-G152 VanDerWaalsContact CE1-CA 3.41Å; F133-G152 VanDerWaalsContact CE1-N 3.3Å; F133-L159 HydrophobicContact CB-CD2 4.36Å; F133-L159 HydrophobicContact CD1-CB 3.92Å; F133-L159 HydrophobicContact CD2-CB 4.15Å; F133-L159 HydrophobicContact CD2-CD2 3.79Å; F133-L159 HydrophobicContact CE1-CB 3.65Å; F133-L159 HydrophobicContact CE2-CB 3.93Å; F133-L159 HydrophobicContact CE2-CD2 4.21Å; F133-L159 HydrophobicContact CG-CB 4.15Å; F133-L159 HydrophobicContact CG-CD2 4Å; F133-L159 HydrophobicContact CZ-CB 3.67Å
134A91.3Very high86.9Confident42 Ų4259.3 Ų59.335%0.34734%0.338SS..EExtended strand (participates in β ladder)trans-122.8135.9-179.400000109.6V65 L107 V108 Q150V65-A134 HydrophobicContact CB-CB 3.93Å; V65-A134 HydrophobicContact CG1-CB 3.82Å; V65-A134 HydrophobicContact CG2-CB 4.32Å; L107-A134 WeakPolarHBondContact O-CA 3.23Å; V108-A134 HydrophobicContact CG2-CB 4.4Å; A134-Q150 PolarHBondContact O-NE2 3.11Å
135T90.6Very high88.5Confident17 Ų1759.3 Ų59.310%0.10432%0.324CS..EExtended strand (participates in β ladder)trans-136.6147.8172.4-164.20000109.9F105 S106 L107 Y161 Y163F105-T135 HydrophobicContact CE2-CG2 4.47Å; S106-T135 CarbonylContact C-O 3.5Å; S106-T135 WeakPolarHBondContact CA-O 3.41Å; L107-T135 HydrophobicContact CB-CG2 3.72Å; L107-T135 HydrophobicContact CD2-CG2 4Å; L107-T135 HydrophobicContact CG-CG2 4.15Å; L107-T135 PolarHBondContact N-O 2.93Å; L107-T135 PolarHBondContact O-N 2.97Å; T135-Y161 WeakPolarHBondContact CB-OH 3.36Å; T135-Y161 VanDerWaalsContact CG2-OH 3.3Å; T135-Y161 WeakPolarHBondContact CG2-OH 3.49Å; T135-Y163 HydrophobicContact CG2-CE1 4.5Å
136Q90.6Very high89.6Confident88 Ų8857.9 Ų57.941%0.41132%0.319SS..EExtended strand (participates in β ladder)trans-131129.8172.566.8-79.47.900107.5F61 V65 F105F61-Q136 HydrophobicContact CD2-CB 4.08Å; F61-Q136 HydrophobicContact CE2-CB 3.79Å; F61-Q136 HydrophobicContact CE2-CG 3.89Å; F61-Q136 HydrophobicContact CZ-CG 4.37Å; V65-Q136 HydrophobicContact CG2-CB 4.13Å; F105-Q136 WeakPolarHBondContact O-CA 3.44Å
137S92.1Very high90.4Very high35 Ų3560.4 Ų60.425%0.24532%0.321CS..EExtended strand (participates in β ladder)trans-152.1165.2-173.7-164.60000111.2A104 F105A104-S137 WeakPolarHBondContact CA-O 3.38Å; F105-S137 WeakPolarHBondContact CD1-O 3.03Å; F105-S137 PolarHBondContact N-O 3.01Å; F105-S137 PolarHBondContact O-N 2.98Å
138Q91.4Very high91.2Very high156 Ų15660.7 Ų60.773%0.72932%0.319SS*.EExtended strand (participates in β ladder)trans-107134164.6-67-178.3-17.600107.8G103 A104G103-Q138 CarbonylContact O-C 3.56Å; G103-Q138 VanDerWaalsContact O-CA 3.24Å; G103-Q138 WeakPolarHBondContact O-CA 3.38Å; A104-Q138 HydrophobicContact CB-CG 3.96Å
139L92.1Very high91.5Very high19 Ų1964.7 Ų64.710%0.09934%0.337CS..  trans-140.5128.8-175.3178.369.8000108.7F25 W101 G103 F105 Y163 I165F25-L139 HydrophobicContact CE2-CD2 3.78Å; F25-L139 HydrophobicContact CZ-CD2 4.48Å; W101-L139 HydrophobicContact CZ2-CB 4.26Å; W101-L139 PolarHBondContact NE1-O 3.28Å; G103-L139 PolarHBondContact O-N 2.04Å; F105-L139 HydrophobicContact CD1-CB 4.39Å; F105-L139 HydrophobicContact CE1-CB 3.76Å; F105-L139 HydrophobicContact CE1-CD2 4.24Å; L139-Y163 HydrophobicContact CD1-CE2 4.31Å; L139-Y163 HydrophobicContact CD2-CD2 3.79Å; L139-Y163 HydrophobicContact CD2-CE2 4.08Å; L139-I165 HydrophobicContact CD2-CB 4.13Å; L139-I165 HydrophobicContact CD2-CG2 3.67Å; L139-I165 HydrophobicContact CG-CG2 3.94Å
140E90.5Very high91.5Very high175 Ų17564.7 Ų64.782%0.81834%0.336SS*.  trans-86.2156.2171.3-64.4-175172.900110.4G142E140-G142 PolarHBondContact O-N 3.02Å
141I89.6Confident91.4Very high36 Ų3669.8 Ų69.819%0.18537%0.367CS..SBendtrans-71.9125.2176.7-54.2-171000109.1W101 I165 A174 C176W101-I141 HydrophobicContact CB-CD1 3.89Å; W101-I141 HydrophobicContact CB-CG1 4.3Å; W101-I141 HydrophobicContact CG-CD1 4.4Å; W101-I141 HydrophobicContact CG-CG1 4.28Å; I141-I165 WeakPolarHBondContact CA-O 3.18Å; I141-I165 HydrophobicContact CB-CG2 4.44Å; I141-I165 HydrophobicContact CG1-CG2 4.13Å; I141-I165 WeakPolarHBondContact CG2-O 3.21Å; I141-A174 WeakPolarHBondContact CD1-O 3.45Å; I141-C176 HydrophobicContact CD1-CB 4.35Å; I141-C176 WeakPolarHBondContact CD1-SG 3.48Å; I141-C176 VanDerWaalsContact CG2-SG 3.51Å
142G89.4Confident90.7Very high21 Ų2170 Ų7022%0.21637%0.37CS..SBendtrans-177.6164.3-179.500000113.7E140 E144 I165 V166E140-G142 PolarHBondContact O-N 3.02Å; G142-E144 PolarHBondContact O-N 3.18Å; G142-I165 PolarHBondContact N-O 3.34Å; G142-I165 VanDerWaalsContact O-O 3.11Å; G142-V166 VanDerWaalsContact O-CG1 3.31Å; G142-V166 WeakPolarHBondContact O-CG1 3.31Å
143P89.1Confident89.5Confident87 Ų8776 Ų7657%0.56540%0.395SS*.SBendtrans-74.6-14.8-179.831.7-35.5000113.3R164P143-R164 VanDerWaalsContact O-CD 3.23Å; P143-R164 WeakPolarHBondContact O-CD 3.02Å; P143-R164 PolarHBondContact O-NH1 3.02Å
144E92.8Very high88.2Confident154 Ų15478 Ų7872%0.7242%0.418SS*.PPolyproline II helixtrans-72.6135.7-174.6-64.3-56.7143.600112.7G142 R164G142-E144 PolarHBondContact O-N 3.18Å; E144-R164 VanDerWaalsContact O-CB 3.24Å; E144-R164 WeakPolarHBondContact O-CB 3.32Å
145W93.9Very high87Confident87 Ų8782.3 Ų82.333%0.3344%0.44SS..PPolyproline II helixtrans-88.6126.2179.5-73.497.2000111.6E26 D28 T92 S162 R164E26-W145 HydrophobicContact CB-CH2 3.76Å; E26-W145 HydrophobicContact CB-CZ3 4.23Å; D28-W145 HydrophobicContact CB-CH2 3.88Å; D28-W145 HydrophobicContact CB-CZ3 3.82Å; T92-W145 HydrophobicContact CG2-CH2 4.03Å; W145-S162 VanDerWaalsContact CE3-OG 3.28Å; W145-R164 HydrophobicContact CD2-CB 4.36Å; W145-R164 HydrophobicContact CD2-CG 3.97Å; W145-R164 HydrophobicContact CE3-CB 4.18Å; W145-R164 HydrophobicContact CE3-CG 3.89Å; W145-R164 HydrophobicContact CH2-CG 4.12Å; W145-R164 HydrophobicContact CZ2-CG 4.16Å; W145-R164 HydrophobicContact CZ3-CG 3.98Å
146T95.1Very high86.6Confident53 Ų5382.7 Ų82.733%0.32544%0.441SS..EExtended strand (participates in β ladder)trans-90116.7170.3-57.50000109.3V148 S162 Y163T146-V148 HydrophobicContact CG2-CG2 4.49Å; T146-S162 CarbonylContact O-C 3.54Å; T146-S162 WeakPolarHBondContact O-CA 3.41Å; T146-S162 WeakPolarHBondContact O-CB 3.36Å; T146-Y163 HydrophobicContact CG2-CE1 4.49Å; T146-Y163 HydrophobicContact CG2-CE2 3.85Å; T146-Y163 PolarHBondContact N-O 3.45Å; T146-Y163 PolarHBondContact O-N 2.86Å
147Q93.5Very high86.6Confident158 Ų15878.7 Ų78.774%0.73842%0.422SS*.EExtended strand (participates in β ladder)trans-90.4139.3178.9-68.1-174.7-26.300111.8
148V93.5Very high86.7Confident29 Ų2978.5 Ų78.518%0.17642%0.417CS..EExtended strand (participates in β ladder)trans-138.5136.3179-171.60000110.4T146 Q150 R160 Y161 Y163T146-V148 HydrophobicContact CG2-CG2 4.49Å; V148-Q150 HydrophobicContact CG1-CG 3.62Å; V148-R160 WeakPolarHBondContact O-CA 3.43Å; V148-Y161 HydrophobicContact CB-CE1 4.12Å; V148-Y161 HydrophobicContact CB-CE2 4.11Å; V148-Y161 HydrophobicContact CG1-CE1 4.15Å; V148-Y161 HydrophobicContact CG2-CE2 4.46Å; V148-Y161 PolarHBondContact N-O 3.01Å; V148-Y161 PolarHBondContact O-N 3.25Å; V148-Y161 VanDerWaalsContact O-O 3.1Å; V148-Y163 HydrophobicContact CB-CE1 4.49Å; V148-Y163 HydrophobicContact CG2-CD1 4.32Å; V148-Y163 HydrophobicContact CG2-CE1 3.43Å; V148-Y163 VanDerWaalsContact CG2-CE1 3.43Å
149E93.1Very high86.8Confident113 Ų11371 Ų7153%0.52838%0.383SS..EExtended strand (participates in β ladder)trans-118.8124.8171.8-179.4168.9-176.900108.4E158 L159 R160E149-E158 HydrophobicContact CG-CG 4.3Å; E149-L159 WeakPolarHBondContact CA-O 3.25Å; E149-R160 HydrophobicContact CB-CG 4.16Å; E149-R160 HydrophobicContact CG-CG 3.86Å; E149-R160 IonicContact OE1-CZ 3.75Å; E149-R160 VanDerWaalsContact OE1-CZ 3.22Å; E149-R160 IonicContact OE1-NE 2.68Å; E149-R160 PolarHBondContact OE1-NE 2.88Å; E149-R160 VanDerWaalsContact OE1-NE 3.14Å; E149-R160 IonicContact OE1-NH2 2.92Å; E149-R160 PolarHBondContact OE1-NH2 3.33Å; E149-R160 IonicContact OE2-CZ 3.25Å; E149-R160 IonicContact OE2-NE 3.77Å; E149-R160 IonicContact OE2-NH2 2.77Å
150Q89.8Confident86.9Confident39 Ų3975.1 Ų75.118%0.18240%0.397CS..EExtended strand (participates in β ladder)trans-133.6136.7-177.2-60.5-167.4-49.500111.6F133 A134 V148 E158 L159 Y161F133-Q150 HydrophobicContact CD1-CB 3.93Å; F133-Q150 WeakPolarHBondContact CE1-O 3.46Å; A134-Q150 PolarHBondContact O-NE2 3.11Å; V148-Q150 HydrophobicContact CG1-CG 3.62Å; Q150-E158 CarbonylContact O-C 3.59Å; Q150-E158 WeakPolarHBondContact O-CA 3.33Å; Q150-L159 PolarHBondContact N-O 2.89Å; Q150-L159 PolarHBondContact O-N 2.98Å; Q150-Y161 VanDerWaalsContact CD-OH 3.3Å; Q150-Y161 HydrophobicContact CG-CE1 4.14Å; Q150-Y161 PolarHBondContact OE1-OH 2.9Å
151T87.2Confident87.1Confident107 Ų10766.9 Ų66.966%0.65636%0.358SS*.EExtended strand (participates in β ladder)trans-88.7131.6167.349.80000110.3T157T151-T157 CarbonylContact C-O 3.55Å; T151-T157 WeakPolarHBondContact CA-O 3.35Å
152G76.4Confident87.3Confident8 Ų865.3 Ų65.38%0.08235%0.35CS..  trans-79.1173.8-176.400000113.9S131 F133 G154 T155 T157S131-G152 WeakPolarHBondContact OG-CA 3.45Å; F133-G152 VanDerWaalsContact CE1-CA 3.41Å; F133-G152 VanDerWaalsContact CE1-N 3.3Å; G152-G154 PolarHBondContact O-N 3.31Å; G152-G154 VanDerWaalsContact O-N 3.09Å; G152-T155 PolarHBondContact O-N 3.27Å; G152-T157 PolarHBondContact N-O 2.79Å
153M66.6Low87.6Confident166 Ų16664.6 Ų64.682%0.81834%0.341SS*.THydrogen-bonded Turntrans-61.2112.6-179.6-154.6175.7-164.900110.2
154G63.3Low87.9Confident49 Ų4963.1 Ų63.151%0.50532%0.324SS..THydrogen-bonded Turntrans102.816.7-179.200000116.9G152 Q156G152-G154 PolarHBondContact O-N 3.31Å; G152-G154 VanDerWaalsContact O-N 3.09Å; G154-Q156 PolarHBondContact O-N 3.21Å
155T66.4Low87.9Confident132 Ų13255.8 Ų55.881%0.8129%0.29SS*.SBendtrans5412.6170.866.60000117G152G152-T155 PolarHBondContact O-N 3.27Å
156Q81.8Confident87.8Confident24 Ų2453 Ų5311%0.11228%0.283CS..SBendtrans-108.1-9.4-177.166.4-167.7-7.200113.6T35 K36 G154T35-Q156 PolarHBondContact N-O 2.91Å; T35-Q156 VanDerWaalsContact N-O 3.14Å; T35-Q156 PolarHBondContact OG1-O 3.28Å; T35-Q156 VanDerWaalsContact OG1-O 3.14Å; K36-Q156 HydrophobicContact CD-CB 4.19Å; K36-Q156 HydrophobicContact CG-CB 4.4Å; G154-Q156 PolarHBondContact O-N 3.21Å
157T91.3Very high87.6Confident4 Ų452.1 Ų52.13%0.02528%0.278CS..EExtended strand (participates in β ladder)trans-123.8144.6179.352.60000112F32 Q33 N34 I130 S131 T151 G152F32-T157 HydrophobicContact CE2-CG2 4.37Å; F32-T157 HydrophobicContact CZ-CG2 4.02Å; Q33-T157 CarbonylContact O-C 3.55Å; Q33-T157 WeakPolarHBondContact O-CA 3.01Å; Q33-T157 WeakPolarHBondContact O-CB 3.5Å; N34-T157 HydrophobicContact CB-CG2 4.01Å; I130-T157 HydrophobicContact CG2-CG2 4.11Å; S131-T157 VanDerWaalsContact CB-OG1 3.25Å; S131-T157 WeakPolarHBondContact CB-OG1 2.96Å; S131-T157 PolarHBondContact OG-OG1 2.78Å; T151-T157 CarbonylContact C-O 3.55Å; T151-T157 WeakPolarHBondContact CA-O 3.35Å; G152-T157 PolarHBondContact N-O 2.79Å
158E93.6Very high87.4Confident31 Ų3150 Ų5015%0.14527%0.266CS..EExtended strand (participates in β ladder)trans-133.5140.5176-172.7-172.8122.500109.1F32 Q33 E149 Q150 R160F32-E158 CarbonylContact C-O 3.53Å; F32-E158 WeakPolarHBondContact CA-O 3.01Å; F32-E158 WeakPolarHBondContact CD2-O 3.42Å; Q33-E158 HydrophobicContact CB-CB 4.01Å; Q33-E158 PolarHBondContact N-O 3.29Å; Q33-E158 PolarHBondContact O-N 3.2Å; E149-E158 HydrophobicContact CG-CG 4.3Å; Q150-E158 CarbonylContact O-C 3.59Å; Q150-E158 WeakPolarHBondContact O-CA 3.33Å; E158-R160 IonicContact OE1-CZ 3.93Å; E158-R160 VanDerWaalsContact OE1-CZ 3.23Å; E158-R160 IonicContact OE1-NE 3.75Å; E158-R160 PolarHBondContact OE1-NE 2.92Å; E158-R160 IonicContact OE1-NH2 3.98Å; E158-R160 PolarHBondContact OE1-NH2 3.12Å
159L93.6Very high87.1Confident0 Ų056.3 Ų56.30%029%0.294CS..EExtended strand (participates in β ladder)trans-130.8129.1175-177.970.9000110.1H31 F32 F54 I109 F133 E149 Q150 Y161H31-L159 WeakPolarHBondContact O-CA 3.36Å; F32-L159 HydrophobicContact CB-CD1 4.14Å; F32-L159 HydrophobicContact CD2-CB 4.38Å; F32-L159 HydrophobicContact CD2-CD1 4Å; F54-L159 HydrophobicContact CE1-CD1 3.76Å; F54-L159 HydrophobicContact CZ-CD1 4.07Å; I109-L159 HydrophobicContact CB-CD2 4.1Å; I109-L159 HydrophobicContact CD1-CD2 4.05Å; I109-L159 HydrophobicContact CG2-CD2 3.75Å; F133-L159 HydrophobicContact CB-CD2 4.36Å; F133-L159 HydrophobicContact CD1-CB 3.92Å; F133-L159 HydrophobicContact CD2-CB 4.15Å; F133-L159 HydrophobicContact CD2-CD2 3.79Å; F133-L159 HydrophobicContact CE1-CB 3.65Å; F133-L159 HydrophobicContact CE2-CB 3.93Å; F133-L159 HydrophobicContact CE2-CD2 4.21Å; F133-L159 HydrophobicContact CG-CB 4.15Å; F133-L159 HydrophobicContact CG-CD2 4Å; F133-L159 HydrophobicContact CZ-CB 3.67Å; E149-L159 WeakPolarHBondContact CA-O 3.25Å; Q150-L159 PolarHBondContact N-O 2.89Å; Q150-L159 PolarHBondContact O-N 2.98Å; L159-Y161 HydrophobicContact CD2-CD1 3.76Å; L159-Y161 HydrophobicContact CD2-CE1 4.1Å; L159-Y161 HydrophobicContact CG-CD1 3.84Å; L159-Y161 HydrophobicContact CG-CE1 4.47Å
160R94.4Very high86.9Confident105 Ų10553.2 Ų53.240%0.39628%0.281SS..EExtended strand (participates in β ladder)trans-111.1125.6169.9-61.1180-170.3-173.5-4.9109.6H30 H31 V148 E149 E158H30-R160 HydrophobicContact CB-CB 4.23Å; H30-R160 WeakPolarHBondContact CB-O 3.34Å; H30-R160 PolarHBondContact N-O 2.8Å; H31-R160 HydrophobicContact CB-CB 4.13Å; H31-R160 HydrophobicContact CB-CG 4.4Å; H31-R160 PolarHBondContact N-O 3.39Å; H31-R160 PolarHBondContact O-N 2.86Å; V148-R160 WeakPolarHBondContact O-CA 3.43Å; E149-R160 HydrophobicContact CB-CG 4.16Å; E149-R160 HydrophobicContact CG-CG 3.86Å; E149-R160 IonicContact OE1-CZ 3.75Å; E149-R160 VanDerWaalsContact OE1-CZ 3.22Å; E149-R160 IonicContact OE1-NE 2.68Å; E149-R160 PolarHBondContact OE1-NE 2.88Å; E149-R160 VanDerWaalsContact OE1-NE 3.14Å; E149-R160 IonicContact OE1-NH2 2.92Å; E149-R160 PolarHBondContact OE1-NH2 3.33Å; E149-R160 IonicContact OE2-CZ 3.25Å; E149-R160 IonicContact OE2-NE 3.77Å; E149-R160 IonicContact OE2-NH2 2.77Å; E158-R160 IonicContact OE1-CZ 3.93Å; E158-R160 VanDerWaalsContact OE1-CZ 3.23Å; E158-R160 IonicContact OE1-NE 3.75Å; E158-R160 PolarHBondContact OE1-NE 2.92Å; E158-R160 IonicContact OE1-NH2 3.98Å; E158-R160 PolarHBondContact OE1-NH2 3.12Å
161Y94Very high86.8Confident2 Ų254.4 Ų54.41%0.00829%0.285CS..EExtended strand (participates in β ladder)trans-148.2159.1-178.861.9-80.5000110.4I27 D28 L107 I109 T135 V148 Q150 L159 Y163I27-Y161 HydrophobicContact CG2-CD2 4.47Å; D28-Y161 CarbonylContact O-C 3.4Å; D28-Y161 WeakPolarHBondContact O-CA 3.45Å; D28-Y161 WeakPolarHBondContact O-CB 3.4Å; L107-Y161 HydrophobicContact CD2-CE2 3.86Å; I109-Y161 HydrophobicContact CD1-CD1 4.12Å; I109-Y161 HydrophobicContact CD1-CD2 3.75Å; I109-Y161 HydrophobicContact CD1-CE1 4.13Å; I109-Y161 HydrophobicContact CD1-CE2 3.77Å; I109-Y161 HydrophobicContact CD1-CG 3.92Å; T135-Y161 WeakPolarHBondContact CB-OH 3.36Å; T135-Y161 VanDerWaalsContact CG2-OH 3.3Å; T135-Y161 WeakPolarHBondContact CG2-OH 3.49Å; V148-Y161 HydrophobicContact CB-CE1 4.12Å; V148-Y161 HydrophobicContact CB-CE2 4.11Å; V148-Y161 HydrophobicContact CG1-CE1 4.15Å; V148-Y161 HydrophobicContact CG2-CE2 4.46Å; V148-Y161 PolarHBondContact N-O 3.01Å; V148-Y161 PolarHBondContact O-N 3.25Å; V148-Y161 VanDerWaalsContact O-O 3.1Å; Q150-Y161 VanDerWaalsContact CD-OH 3.3Å; Q150-Y161 HydrophobicContact CG-CE1 4.14Å; Q150-Y161 PolarHBondContact OE1-OH 2.9Å; L159-Y161 HydrophobicContact CD2-CD1 3.76Å; L159-Y161 HydrophobicContact CD2-CE1 4.1Å; L159-Y161 HydrophobicContact CG-CD1 3.84Å; L159-Y161 HydrophobicContact CG-CE1 4.47Å; Y161-Y163 AromaticContact CD2-CD1 3.96Å; Y161-Y163 HydrophobicContact CD2-CD1 3.96Å; Y161-Y163 AromaticContact CE2-CD1 3.69Å; Y161-Y163 HydrophobicContact CE2-CD1 3.69Å; Y161-Y163 AromaticContact CE2-CE1 3.94Å; Y161-Y163 HydrophobicContact CE2-CE1 3.94Å
162S94.8Very high86.8Confident3 Ų351.8 Ų51.82%0.02126%0.263CS..EExtended strand (participates in β ladder)trans-123.4152167.556.10000110.9I27 D28 H30 W145 T146I27-S162 CarbonylContact C-O 3.58Å; I27-S162 WeakPolarHBondContact CA-O 3.32Å; D28-S162 PolarHBondContact N-O 2.94Å; D28-S162 PolarHBondContact O-N 2.83Å; H30-S162 PolarHBondContact NE2-OG 2.72Å; W145-S162 VanDerWaalsContact CE3-OG 3.28Å; T146-S162 CarbonylContact O-C 3.54Å; T146-S162 WeakPolarHBondContact O-CA 3.41Å; T146-S162 WeakPolarHBondContact O-CB 3.36Å
163Y95.1Very high87.2Confident5 Ų552.5 Ų52.52%0.0227%0.27CS..EExtended strand (participates in β ladder)trans-136.7154.6172.756.1-100.4000111F25 E26 F105 L107 T135 L139 T146 V148 Y161F25-Y163 HydrophobicContact CE1-CG 4.47Å; F25-Y163 AromaticContact CZ-CD2 3.98Å; F25-Y163 HydrophobicContact CZ-CD2 3.98Å; F25-Y163 HydrophobicContact CZ-CG 4.02Å; E26-Y163 CarbonylContact O-C 3.56Å; E26-Y163 WeakPolarHBondContact O-CA 3.24Å; E26-Y163 WeakPolarHBondContact O-CB 3.12Å; F105-Y163 HydrophobicContact CE1-CE2 4.19Å; F105-Y163 AromaticContact CZ-CD2 3.99Å; F105-Y163 HydrophobicContact CZ-CD2 3.99Å; F105-Y163 HydrophobicContact CZ-CE1 4.43Å; F105-Y163 AromaticContact CZ-CE2 3.58Å; F105-Y163 HydrophobicContact CZ-CE2 3.58Å; F105-Y163 AromaticContact CZ-CZ 3.83Å; L107-Y163 HydrophobicContact CD2-CD1 4.21Å; T135-Y163 HydrophobicContact CG2-CE1 4.5Å; L139-Y163 HydrophobicContact CD1-CE2 4.31Å; L139-Y163 HydrophobicContact CD2-CD2 3.79Å; L139-Y163 HydrophobicContact CD2-CE2 4.08Å; T146-Y163 HydrophobicContact CG2-CE1 4.49Å; T146-Y163 HydrophobicContact CG2-CE2 3.85Å; T146-Y163 PolarHBondContact N-O 3.45Å; T146-Y163 PolarHBondContact O-N 2.86Å; V148-Y163 HydrophobicContact CB-CE1 4.49Å; V148-Y163 HydrophobicContact CG2-CD1 4.32Å; V148-Y163 HydrophobicContact CG2-CE1 3.43Å; V148-Y163 VanDerWaalsContact CG2-CE1 3.43Å; Y161-Y163 AromaticContact CD2-CD1 3.96Å; Y161-Y163 HydrophobicContact CD2-CD1 3.96Å; Y161-Y163 AromaticContact CE2-CD1 3.69Å; Y161-Y163 HydrophobicContact CE2-CD1 3.69Å; Y161-Y163 AromaticContact CE2-CE1 3.94Å; Y161-Y163 HydrophobicContact CE2-CE1 3.94Å
164R94.9Very high88Confident56 Ų5648.9 Ų48.921%0.21127%0.266CS..EExtended strand (participates in β ladder)trans-150.1168.1169.567.4177.3-178.2-174.9-0.6109.7E26 P143 E144 W145 V166E26-R164 HydrophobicContact CB-CG 4.16Å; E26-R164 PolarHBondContact N-O 3.37Å; E26-R164 PolarHBondContact O-N 2.03Å; E26-R164 IonicContact OE2-CZ 3.23Å; E26-R164 VanDerWaalsContact OE2-CZ 3.25Å; E26-R164 IonicContact OE2-NE 3.14Å; E26-R164 PolarHBondContact OE2-NE 2.93Å; E26-R164 IonicContact OE2-NH2 2.86Å; E26-R164 PolarHBondContact OE2-NH2 2.68Å; P143-R164 VanDerWaalsContact O-CD 3.23Å; P143-R164 WeakPolarHBondContact O-CD 3.02Å; P143-R164 PolarHBondContact O-NH1 3.02Å; E144-R164 VanDerWaalsContact O-CB 3.24Å; E144-R164 WeakPolarHBondContact O-CB 3.32Å; W145-R164 HydrophobicContact CD2-CB 4.36Å; W145-R164 HydrophobicContact CD2-CG 3.97Å; W145-R164 HydrophobicContact CE3-CB 4.18Å; W145-R164 HydrophobicContact CE3-CG 3.89Å; W145-R164 HydrophobicContact CH2-CG 4.12Å; W145-R164 HydrophobicContact CZ2-CG 4.16Å; W145-R164 HydrophobicContact CZ3-CG 3.98Å; R164-V166 HydrophobicContact CG-CG1 4.3Å
165I92.9Very high88.9Confident1 Ų149.2 Ų49.21%0.00526%0.259CS..EExtended strand (participates in β ladder)trans-129.6123.8170.2-171.9175.7000109.5V24 F25 L97 W101 L139 I141 G142V24-I165 WeakPolarHBondContact O-CA 3.38Å; F25-I165 HydrophobicContact CD2-CB 4Å; F25-I165 HydrophobicContact CD2-CD1 4.34Å; F25-I165 HydrophobicContact CD2-CG1 4.4Å; L97-I165 HydrophobicContact CD1-CD1 4.02Å; W101-I165 HydrophobicContact CB-CD1 3.97Å; W101-I165 HydrophobicContact CD2-CD1 3.2Å; W101-I165 HydrophobicContact CE3-CD1 3.22Å; W101-I165 HydrophobicContact CG-CD1 3.53Å; W101-I165 HydrophobicContact CH2-CD1 4.29Å; W101-I165 HydrophobicContact CZ2-CD1 4.28Å; W101-I165 HydrophobicContact CZ2-CG2 4.49Å; W101-I165 HydrophobicContact CZ3-CD1 3.81Å; L139-I165 HydrophobicContact CD2-CB 4.13Å; L139-I165 HydrophobicContact CD2-CG2 3.67Å; L139-I165 HydrophobicContact CG-CG2 3.94Å; I141-I165 WeakPolarHBondContact CA-O 3.18Å; I141-I165 HydrophobicContact CB-CG2 4.44Å; I141-I165 HydrophobicContact CG1-CG2 4.13Å; I141-I165 WeakPolarHBondContact CG2-O 3.21Å; G142-I165 PolarHBondContact N-O 3.34Å; G142-I165 VanDerWaalsContact O-O 3.11Å
166V92.6Very high90Very high28 Ų2843 Ų4317%0.1722%0.22CC..EExtended strand (participates in β ladder)trans-122.6157.5-176.9-67.50000110S23 V24 E26 G142 R164S23-V166 CarbonylContact C-O 3.58Å; S23-V166 VanDerWaalsContact CA-O 3.29Å; S23-V166 WeakPolarHBondContact CA-O 3.49Å; S23-V166 WeakPolarHBondContact CB-O 3.25Å; V24-V166 HydrophobicContact CB-CG2 4.46Å; V24-V166 PolarHBondContact N-O 3.5Å; V24-V166 PolarHBondContact O-N 2.82Å; E26-V166 HydrophobicContact CG-CG2 4.37Å; G142-V166 VanDerWaalsContact O-CG1 3.31Å; G142-V166 WeakPolarHBondContact O-CG1 3.31Å; R164-V166 HydrophobicContact CG-CG1 4.3Å
167C91.1Very high90.1Very high35 Ų3543.3 Ų43.324%0.23623%0.225CC..EExtended strand (participates in β ladder)trans-71.2150.6171.9-58.70000111.4Y171 C176C167-Y171 WeakPolarHBondContact CB-O 3.44Å; C167-C176 WeakPolarHBondContact CA-SG 3.42Å; C167-C176 HydrophobicContact CB-CB 3.67Å; C167-C176 WeakPolarHBondContact CB-SG 3.48Å; C167-C176 WeakPolarHBondContact SG-CA 3.36Å; C167-C176 WeakPolarHBondContact SG-CB 3.02Å; C167-C176 CovalentContact SG-SG 2.04Å; C167-C176 PolarHBondContact SG-SG 2.84Å
168K89.1Confident89.9Confident112 Ų11247.8 Ų47.849%0.48725%0.245SC..PPolyproline II helixtrans-63.8156.9168.9-170174.5179.7-176.90109.5S22 N170 Y171S22-K168 PolarHBondContact O-N 2.89Å; S22-K168 WeakPolarHBondContact OG-CD 3.22Å; K168-N170 PolarHBondContact O-N 3.27Å; K168-Y171 HydrophobicContact CB-CD2 3.97Å; K168-Y171 WeakPolarHBondContact O-CB 3.27Å; K168-Y171 PolarHBondContact O-N 3.25Å
169E87Confident89.6Confident162 Ų16251.5 Ų51.576%0.75727%0.265SS*.THydrogen-bonded Turntrans-47.8132.1174.5-164.7-179.3-178.900111.4Y171E169-Y171 PolarHBondContact O-N 2.79Å
170N87.9Confident89.5Confident49 Ų4951.8 Ų51.826%0.26227%0.266SS..THydrogen-bonded Turntrans69.14.2-175.1-49.4-56.6000116.6K168 Y172 I179 C180 T181K168-N170 PolarHBondContact O-N 3.27Å; N170-Y172 VanDerWaalsContact C-CE2 3.45Å; N170-Y172 WeakPolarHBondContact O-CD2 3.23Å; N170-Y172 WeakPolarHBondContact O-CE2 3.39Å; N170-I179 WeakPolarHBondContact O-CA 3.06Å; N170-C180 WeakPolarHBondContact CB-O 3.34Å; N170-C180 PolarHBondContact O-N 3.41Å; N170-T181 HydrophobicContact CB-CG2 3.65Å
171Y88.6Confident89.4Confident64 Ų6449.4 Ų49.425%0.25126%0.264SS..EExtended strand (participates in β ladder)trans-102.9143.2170.9-72.4-99.7000111.1C167 K168 E169 C176 K178 I179C167-Y171 WeakPolarHBondContact CB-O 3.44Å; K168-Y171 HydrophobicContact CB-CD2 3.97Å; K168-Y171 WeakPolarHBondContact O-CB 3.27Å; K168-Y171 PolarHBondContact O-N 3.25Å; E169-Y171 PolarHBondContact O-N 2.79Å; Y171-C176 WeakPolarHBondContact CD1-O 3.23Å; Y171-K178 CarbonylContact C-O 3.53Å; Y171-K178 VanDerWaalsContact CA-O 3.24Å; Y171-K178 WeakPolarHBondContact CA-O 3.44Å; Y171-I179 HydrophobicContact CD1-CD1 4.43Å; Y171-I179 HydrophobicContact CD1-CG1 3.7Å; Y171-I179 HydrophobicContact CE1-CD1 3.63Å; Y171-I179 HydrophobicContact CE1-CG1 3.39Å; Y171-I179 HydrophobicContact CE2-CG1 4.47Å; Y171-I179 HydrophobicContact CG-CG1 4.4Å
172Y87.6Confident89.4Confident52 Ų5253.1 Ų53.120%0.20429%0.288CS..EExtended strand (participates in β ladder)trans-145.3172.7-173-56.8-94.1000112.6N170 C176 S177 K178 C180 C192 P194N170-Y172 VanDerWaalsContact C-CE2 3.45Å; N170-Y172 WeakPolarHBondContact O-CD2 3.23Å; N170-Y172 WeakPolarHBondContact O-CE2 3.39Å; Y172-C176 WeakPolarHBondContact O-CA 3.02Å; Y172-S177 PolarHBondContact O-N 2.79Å; Y172-K178 PolarHBondContact N-O 3.21Å; Y172-K178 PolarHBondContact O-N 3.29Å; Y172-C180 HydrophobicContact CD2-CB 4.04Å; Y172-C180 HydrophobicContact CE2-CB 3.81Å; Y172-C180 WeakPolarHBondContact CE2-O 3.42Å; Y172-C192 HydrophobicContact CE2-CB 4.32Å; Y172-P194 WeakPolarHBondContact CD1-O 3.5Å
173G84.8Confident89.3Confident22 Ų2257.2 Ų57.223%0.22730%0.303CS..THydrogen-bonded Turntrans84.1170.5178.700000113.1T175 C176G173-T175 PolarHBondContact O-N 3.41Å; G173-C176 PolarHBondContact O-N 2.97Å
174A83Confident89.3Confident90 Ų9062.6 Ų62.674%0.74433%0.332SS*.THydrogen-bonded Turntrans-59.8-16.6-175.200000114.9I141I141-A174 WeakPolarHBondContact CD1-O 3.45Å
175T83.2Confident89.2Confident57 Ų5763.1 Ų63.135%0.3534%0.339SS..THydrogen-bonded Turntrans-115.43.6-179.848.30000113.4G21 T100 G173 S177G21-T175 WeakPolarHBondContact CA-O 3.2Å; T100-T175 HydrophobicContact CG2-CG2 3.86Å; G173-T175 PolarHBondContact O-N 3.41Å; T175-S177 PolarHBondContact O-N 2.02Å; T175-S177 PolarHBondContact OG1-OG 3.25Å
176C87.7Confident89Confident0 Ų073 Ų730%038%0.377CS..THydrogen-bonded Turntrans4940.2-173.4-58.50000114G21 S22 I141 C167 Y171 Y172 G173G21-C176 CarbonylContact C-O 3.55Å; G21-C176 WeakPolarHBondContact CA-O 3.48Å; S22-C176 PolarHBondContact N-O 2.74Å; S22-C176 VanDerWaalsContact O-CB 3.32Å; S22-C176 WeakPolarHBondContact O-CB 3.09Å; I141-C176 HydrophobicContact CD1-CB 4.35Å; I141-C176 WeakPolarHBondContact CD1-SG 3.48Å; I141-C176 VanDerWaalsContact CG2-SG 3.51Å; C167-C176 WeakPolarHBondContact CA-SG 3.42Å; C167-C176 HydrophobicContact CB-CB 3.67Å; C167-C176 WeakPolarHBondContact CB-SG 3.48Å; C167-C176 WeakPolarHBondContact SG-CA 3.36Å; C167-C176 WeakPolarHBondContact SG-CB 3.02Å; C167-C176 CovalentContact SG-SG 2.04Å; C167-C176 PolarHBondContact SG-SG 2.84Å; Y171-C176 WeakPolarHBondContact CD1-O 3.23Å; Y172-C176 WeakPolarHBondContact O-CA 3.02Å; G173-C176 PolarHBondContact O-N 2.97Å
177S84.4Confident89Confident31 Ų3177 Ų7722%0.21739%0.392CS..  trans-111.2-17.6-175.1560000114.2Y172 T175Y172-S177 PolarHBondContact O-N 2.79Å; T175-S177 PolarHBondContact O-N 2.02Å; T175-S177 PolarHBondContact OG1-OG 3.25Å
178K86.9Confident89.1Confident98 Ų9875.3 Ų75.343%0.42638%0.38SS..EExtended strand (participates in β ladder)trans-80.7128.6176.2-65.8-177.9179.6-179.90108.3Y171 Y172 D195Y171-K178 CarbonylContact C-O 3.53Å; Y171-K178 VanDerWaalsContact CA-O 3.24Å; Y171-K178 WeakPolarHBondContact CA-O 3.44Å; Y172-K178 PolarHBondContact N-O 3.21Å; Y172-K178 PolarHBondContact O-N 3.29Å; K178-D195 WeakPolarHBondContact CD-O 3.28Å
179I88.2Confident89.4Confident110 Ų11071.1 Ų71.156%0.56436%0.362SS*.EExtended strand (participates in β ladder)trans-106.5127.5178.5-58171.5000107.9N170 Y171N170-I179 WeakPolarHBondContact O-CA 3.06Å; Y171-I179 HydrophobicContact CD1-CD1 4.43Å; Y171-I179 HydrophobicContact CD1-CG1 3.7Å; Y171-I179 HydrophobicContact CE1-CD1 3.63Å; Y171-I179 HydrophobicContact CE1-CG1 3.39Å; Y171-I179 HydrophobicContact CE2-CG1 4.47Å; Y171-I179 HydrophobicContact CG-CG1 4.4Å
180C91.6Very high89.8Confident5 Ų564.3 Ų64.33%0.03433%0.33CS..  trans-144.3123173.3-173.60000109.9N170 Y172 C192N170-C180 WeakPolarHBondContact CB-O 3.34Å; N170-C180 PolarHBondContact O-N 3.41Å; Y172-C180 HydrophobicContact CD2-CB 4.04Å; Y172-C180 HydrophobicContact CE2-CB 3.81Å; Y172-C180 WeakPolarHBondContact CE2-O 3.42Å; C180-C192 HydrophobicContact CB-CB 3.77Å; C180-C192 WeakPolarHBondContact CB-SG 3.36Å; C180-C192 PolarHBondContact O-SG 2.78Å; C180-C192 VanDerWaalsContact O-SG 3.37Å; C180-C192 WeakPolarHBondContact SG-CB 3.29Å; C180-C192 CovalentContact SG-SG 2.03Å; C180-C192 PolarHBondContact SG-SG 2.81Å
181T92.3Very high90.2Very high56 Ų5664.8 Ų64.834%0.34434%0.335SS..  trans-116.5122.717240.40000108.5N170 R183 Y190N170-T181 HydrophobicContact CB-CG2 3.65Å; T181-R183 PolarHBondContact O-N 3.38Å; T181-Y190 VanDerWaalsContact O-CE2 3.23Å; T181-Y190 WeakPolarHBondContact O-CE2 3.35Å
182P93.6Very high90.4Very high80 Ų8062.8 Ų62.852%0.51933%0.33SS..  trans-53.9141.4174.8-25.634.9000111.3Y190 C192P182-Y190 WeakPolarHBondContact CA-O 3.26Å; P182-C192 HydrophobicContact CG-CB 4.49Å
183R92.9Very high90.5Very high88 Ų8862.1 Ų62.133%0.33233%0.331SS..EExtended strand (participates in β ladder)trans-146.2142.2-173.9-169.6-179.1-61.9-165.5-1.9111.1T181 D185 F187 G188 H189 Y190T181-R183 PolarHBondContact O-N 3.38Å; R183-D185 VanDerWaalsContact CD-OD1 3.28Å; R183-D185 WeakPolarHBondContact CD-OD1 3.31Å; R183-D185 WeakPolarHBondContact CG-OD2 3.34Å; R183-F187 VanDerWaalsContact NH1-CB 3.27Å; R183-G188 CarbonylContact C-O 3.58Å; R183-G188 WeakPolarHBondContact CG-O 3.38Å; R183-H189 CarbonylContact O-C 3.57Å; R183-H189 WeakPolarHBondContact O-CA 3.19Å; R183-Y190 HydrophobicContact CB-CE1 4.09Å; R183-Y190 HydrophobicContact CB-CE2 4.34Å; R183-Y190 PolarHBondContact N-O 2.91Å; R183-Y190 PolarHBondContact O-N 3.29Å; R183-Y190 VanDerWaalsContact O-O 3.12Å
184D94.4Very high90.5Very high119 Ų11966.9 Ų66.964%0.63636%0.358SS*.EExtended strand (participates in β ladder)trans-143.372.7173.4-171.320.3000109.4G188 H189 L201D184-G188 WeakPolarHBondContact CA-O 3.47Å; D184-H189 IonicContact OD1-CE1 3.96Å; D184-H189 IonicContact OD1-CG 3.26Å; D184-H189 IonicContact OD1-ND1 2.79Å; D184-H189 PolarHBondContact OD1-ND1 3.1Å; D184-L201 HydrophobicContact CB-CD1 4.33Å
185D93.1Very high90.7Very high67 Ų6767.4 Ų67.436%0.35835%0.348SS..EExtended strand (participates in β ladder)trans-148.8-176-179.568.737.5000110.9R183 F187 G188 H189R183-D185 VanDerWaalsContact CD-OD1 3.28Å; R183-D185 WeakPolarHBondContact CD-OD1 3.31Å; R183-D185 WeakPolarHBondContact CG-OD2 3.34Å; D185-F187 PolarHBondContact O-N 3.5Å; D185-F187 WeakPolarHBondContact OD1-CA 3.3Å; D185-F187 VanDerWaalsContact OD1-CB 3.27Å; D185-F187 WeakPolarHBondContact OD1-CB 3.5Å; D185-F187 WeakPolarHBondContact OD1-CD2 3.47Å; D185-F187 PolarHBondContact OD1-N 2.93Å; D185-G188 PolarHBondContact N-O 3Å; D185-G188 VanDerWaalsContact N-O 3.1Å; D185-G188 CarbonylContact O-C 3.57Å; D185-G188 PolarHBondContact O-N 2.97Å; D185-H189 PolarHBondContact O-CE1 2.97Å; D185-H189 VanDerWaalsContact O-CE1 3.29Å; D185-H189 PolarHBondContact O-NE2 3.11Å; D185-H189 VanDerWaalsContact O-NE2 3.11Å
186R89.8Confident90.9Very high209 Ų20965.1 Ų65.179%0.78934%0.336SS*.THydrogen-bonded Turntrans-55.9-16-178.672.2177.5-174.5-175.5-1.9115.7
187F91.3Very high91Very high111 Ų11170.5 Ų70.549%0.48736%0.361SS..THydrogen-bonded Turntrans-99.3-3.9-178.7-58.9-74.9000112.9R183 D185R183-F187 VanDerWaalsContact NH1-CB 3.27Å; D185-F187 PolarHBondContact O-N 3.5Å; D185-F187 WeakPolarHBondContact OD1-CA 3.3Å; D185-F187 VanDerWaalsContact OD1-CB 3.27Å; D185-F187 WeakPolarHBondContact OD1-CB 3.5Å; D185-F187 WeakPolarHBondContact OD1-CD2 3.47Å; D185-F187 PolarHBondContact OD1-N 2.93Å
188G92.8Very high91.4Very high0 Ų071.9 Ų71.90%037%0.366CS..EExtended strand (participates in β ladder)trans157.1150175.200000113.5R183 D184 D185 Y208R183-G188 CarbonylContact C-O 3.58Å; R183-G188 WeakPolarHBondContact CG-O 3.38Å; D184-G188 WeakPolarHBondContact CA-O 3.47Å; D185-G188 PolarHBondContact N-O 3Å; D185-G188 VanDerWaalsContact N-O 3.1Å; D185-G188 CarbonylContact O-C 3.57Å; D185-G188 PolarHBondContact O-N 2.97Å; G188-Y208 VanDerWaalsContact CA-O 3.3Å; G188-Y208 WeakPolarHBondContact CA-O 3.39Å
189H95.8Very high91.8Very high24 Ų2471.4 Ų71.411%0.11137%0.368CS..EExtended strand (participates in β ladder)trans-125.184.7-176.9-58.9-86.2000109.4R183 D184 D185 L201 W204 C209R183-H189 CarbonylContact O-C 3.57Å; R183-H189 WeakPolarHBondContact O-CA 3.19Å; D184-H189 IonicContact OD1-CE1 3.96Å; D184-H189 IonicContact OD1-CG 3.26Å; D184-H189 IonicContact OD1-ND1 2.79Å; D184-H189 PolarHBondContact OD1-ND1 3.1Å; D185-H189 PolarHBondContact O-CE1 2.97Å; D185-H189 VanDerWaalsContact O-CE1 3.29Å; D185-H189 PolarHBondContact O-NE2 3.11Å; D185-H189 VanDerWaalsContact O-NE2 3.11Å; H189-L201 HydrophobicContact CB-CB 4.34Å; H189-L201 HydrophobicContact CB-CD1 4.15Å; H189-L201 PolarHBondContact O-N 2.72Å; H189-W204 HydrophobicContact CB-CB 4.16Å; H189-W204 HydrophobicContact CB-CD2 3.68Å; H189-W204 HydrophobicContact CB-CE3 4.38Å; H189-W204 HydrophobicContact CB-CG 3.53Å; H189-W204 AromaticContact CD2-CD2 3.31Å; H189-W204 AromaticContact CD2-CE2 3.32Å; H189-W204 AromaticContact CD2-CE3 3.28Å; H189-W204 AromaticContact CD2-CH2 3.34Å; H189-W204 WeakPolarHBondContact CD2-CH2 3.43Å; H189-W204 AromaticContact CD2-CZ2 3.36Å; H189-W204 WeakPolarHBondContact CD2-CZ2 3.28Å; H189-W204 AromaticContact CD2-CZ3 3.29Å; H189-W204 WeakPolarHBondContact CD2-CZ3 3.04Å; H189-W204 AromaticContact CE1-CH2 3.9Å; H189-W204 AromaticContact CE1-CZ2 3.59Å; H189-W204 AromaticContact CG-CD2 3.55Å; H189-W204 AromaticContact CG-CE2 3.37Å; H189-W204 AromaticContact CG-CG 3.97Å; H189-W204 AromaticContact CG-CZ2 3.72Å; H189-W204 AromaticContact CG-NE1 3.63Å; H189-W204 AromaticContact ND1-CE2 3.83Å; H189-W204 AromaticContact ND1-CZ2 3.85Å; H189-W204 AromaticContact ND1-NE1 3.99Å; H189-W204 AromaticContact NE2-CE2 3.77Å; H189-W204 AromaticContact NE2-CH2 3.13Å; H189-W204 WeakPolarHBondContact NE2-CH2 3.08Å; H189-W204 AromaticContact NE2-CZ2 3.27Å; H189-W204 VanDerWaalsContact NE2-CZ2 3.27Å; H189-W204 WeakPolarHBondContact NE2-CZ2 3.06Å; H189-W204 AromaticContact NE2-CZ3 3.52Å; H189-C209 PolarHBondContact N-O 3.48Å; H189-C209 VanDerWaalsContact O-CB 3.23Å; H189-C209 WeakPolarHBondContact O-CB 3.34Å
190Y96.1Very high92.2Very high18 Ų1868.2 Ų68.27%0.07136%0.355CS..EExtended strand (participates in β ladder)trans-153.9159.1-172.460.4-96.9000114.9T181 P182 R183 I198 D199 Y208 C209T181-Y190 VanDerWaalsContact O-CE2 3.23Å; T181-Y190 WeakPolarHBondContact O-CE2 3.35Å; P182-Y190 WeakPolarHBondContact CA-O 3.26Å; R183-Y190 HydrophobicContact CB-CE1 4.09Å; R183-Y190 HydrophobicContact CB-CE2 4.34Å; R183-Y190 PolarHBondContact N-O 2.91Å; R183-Y190 PolarHBondContact O-N 3.29Å; R183-Y190 VanDerWaalsContact O-O 3.12Å; Y190-I198 HydrophobicContact CD1-CG2 4.03Å; Y190-I198 HydrophobicContact CD2-CB 4.39Å; Y190-I198 HydrophobicContact CD2-CG1 4.06Å; Y190-I198 HydrophobicContact CD2-CG2 3.85Å; Y190-I198 HydrophobicContact CE1-CD1 4.48Å; Y190-I198 HydrophobicContact CE2-CD1 4.26Å; Y190-I198 HydrophobicContact CE2-CG1 4.06Å; Y190-I198 HydrophobicContact CG-CG2 3.56Å; Y190-D199 CarbonylContact C-O 3.48Å; Y190-D199 VanDerWaalsContact CA-O 3.27Å; Y190-D199 WeakPolarHBondContact CA-O 3.38Å; Y190-D199 WeakPolarHBondContact CB-O 3.43Å; Y190-Y208 VanDerWaalsContact CD1-O 3.31Å; Y190-Y208 WeakPolarHBondContact CD1-O 3.45Å; Y190-C209 HydrophobicContact CD1-CB 4.13Å
191T95.7Very high92.4Very high59 Ų5970.2 Ų70.236%0.36237%0.365SS..EExtended strand (participates in β ladder)trans-111.817416867.90000110.5D199 L201T191-D199 PolarHBondContact N-O 3.39Å; T191-D199 PolarHBondContact O-N 2.04Å; T191-L201 HydrophobicContact CG2-CD2 3.97Å
192C93.3Very high92.5Very high23 Ų2373.5 Ų73.516%0.15539%0.387CS..EExtended strand (participates in β ladder)trans-111.6124.5-179.6-59.30000109.5Y172 C180 P182Y172-C192 HydrophobicContact CE2-CB 4.32Å; C180-C192 HydrophobicContact CB-CB 3.77Å; C180-C192 WeakPolarHBondContact CB-SG 3.36Å; C180-C192 PolarHBondContact O-SG 2.78Å; C180-C192 VanDerWaalsContact O-SG 3.37Å; C180-C192 WeakPolarHBondContact SG-CB 3.29Å; C180-C192 CovalentContact SG-SG 2.03Å; C180-C192 PolarHBondContact SG-SG 2.81Å; P182-C192 HydrophobicContact CG-CB 4.49Å
193T90.2Very high92.5Very high37 Ų3770.8 Ų70.823%0.22737%0.373CS..  trans-66.1163.5170.558.10000111.2D195 G196 Q197 D199T193-D195 PolarHBondContact O-N 3.4Å; T193-D195 VanDerWaalsContact O-N 3.11Å; T193-G196 WeakPolarHBondContact O-CA 3.27Å; T193-G196 PolarHBondContact O-N 3.31Å; T193-Q197 PolarHBondContact N-O 3.35Å; T193-Q197 WeakPolarHBondContact OG1-CA 3.34Å; T193-Q197 WeakPolarHBondContact OG1-CB 3.13Å; T193-Q197 PolarHBondContact OG1-N 3.05Å; T193-Q197 PolarHBondContact OG1-O 3.41Å; T193-D199 HydrophobicContact CG2-CB 3.89Å
194P84.9Confident92.7Very high122 Ų12268.9 Ų68.979%0.79237%0.366SS*.THydrogen-bonded Turntrans-56.2-25.7174.7-27.236.2000114.6Y172 G196Y172-P194 WeakPolarHBondContact CD1-O 3.5Å; P194-G196 VanDerWaalsContact C-N 3.29Å
195D85.8Confident92.7Very high101 Ų10168.4 Ų68.454%0.5436%0.359SS..THydrogen-bonded Turntrans-85.40.3175.8-67.2-43.2000113.7K178 T193 Q197K178-D195 WeakPolarHBondContact CD-O 3.28Å; T193-D195 PolarHBondContact O-N 3.4Å; T193-D195 VanDerWaalsContact O-N 3.11Å; D195-Q197 HydrophobicContact CB-CG 4.47Å
196G87.6Confident92.7Very high9 Ų967 Ų679%0.09336%0.36CS..SBendtrans73.722.7-177.300000114.7T193 P194T193-G196 WeakPolarHBondContact O-CA 3.27Å; T193-G196 PolarHBondContact O-N 3.31Å; P194-G196 VanDerWaalsContact C-N 3.29Å
197Q90.8Very high92.8Very high113 Ų11364.3 Ų64.353%0.52836%0.356SS..  trans-85146.8168.9-54.4-172.813.700110.1T193 D195T193-Q197 PolarHBondContact N-O 3.35Å; T193-Q197 WeakPolarHBondContact OG1-CA 3.34Å; T193-Q197 WeakPolarHBondContact OG1-CB 3.13Å; T193-Q197 PolarHBondContact OG1-N 3.05Å; T193-Q197 PolarHBondContact OG1-O 3.41Å; D195-Q197 HydrophobicContact CB-CG 4.47Å
198I92.6Very high92.9Very high61 Ų6164.9 Ų64.931%0.31336%0.356SS..EExtended strand (participates in β ladder)trans-67.7129173.8-68.4178.7000108.9Y190 Y208 C209Y190-I198 HydrophobicContact CD1-CG2 4.03Å; Y190-I198 HydrophobicContact CD2-CB 4.39Å; Y190-I198 HydrophobicContact CD2-CG1 4.06Å; Y190-I198 HydrophobicContact CD2-CG2 3.85Å; Y190-I198 HydrophobicContact CE1-CD1 4.48Å; Y190-I198 HydrophobicContact CE2-CD1 4.26Å; Y190-I198 HydrophobicContact CE2-CG1 4.06Å; Y190-I198 HydrophobicContact CG-CG2 3.56Å; I198-Y208 HydrophobicContact CD1-CD1 4.06Å; I198-C209 WeakPolarHBondContact CG2-SG 3.41Å
199D95.1Very high93Very high88 Ų8864.9 Ų64.947%0.47136%0.356SS..EExtended strand (participates in β ladder)trans-119.6112.5173.3-172.228.4000109.7Y190 T191 T193Y190-D199 CarbonylContact C-O 3.48Å; Y190-D199 VanDerWaalsContact CA-O 3.27Å; Y190-D199 WeakPolarHBondContact CA-O 3.38Å; Y190-D199 WeakPolarHBondContact CB-O 3.43Å; T191-D199 PolarHBondContact N-O 3.39Å; T191-D199 PolarHBondContact O-N 2.04Å; T193-D199 HydrophobicContact CG2-CB 3.89Å
200C96.7Very high92.9Very high42 Ų4267.1 Ų67.128%0.28437%0.369SS..EExtended strand (participates in β ladder)trans-67.8139.6-172.2-61.80000111.9W204 C209C200-W204 HydrophobicContact CB-CB 4.41Å; C200-W204 WeakPolarHBondContact CB-O 3.27Å; C200-C209 WeakPolarHBondContact CA-SG 3.44Å; C200-C209 HydrophobicContact CB-CB 3.66Å; C200-C209 WeakPolarHBondContact CB-SG 3.5Å; C200-C209 WeakPolarHBondContact SG-CB 3.04Å; C200-C209 CovalentContact SG-SG 2.02Å; C200-C209 PolarHBondContact SG-SG 2.04Å
201L95.9Very high92.8Very high48 Ų4872 Ų7225%0.25139%0.39SS..PPolyproline II helixtrans-63.1151.5169.4-67.6178.9000110.5D184 H189 T191 G203 W204D184-L201 HydrophobicContact CB-CD1 4.33Å; H189-L201 HydrophobicContact CB-CB 4.34Å; H189-L201 HydrophobicContact CB-CD1 4.15Å; H189-L201 PolarHBondContact O-N 2.72Å; T191-L201 HydrophobicContact CG2-CD2 3.97Å; L201-G203 PolarHBondContact O-N 3.37Å; L201-W204 PolarHBondContact O-N 3.45Å
202P94.5Very high92.8Very high124 Ų12470.1 Ų70.181%0.80538%0.379SS*.THydrogen-bonded Turntrans-52.5129179.2-2734.8000111.9
203G93.9Very high92.9Very high23 Ų2372.5 Ų72.524%0.23739%0.39CS..THydrogen-bonded Turntrans90.22.1-177.700000115.1L201 P212 I213 P228L201-G203 PolarHBondContact O-N 3.37Å; G203-P212 CarbonylContact O-C 3.44Å; G203-I213 WeakPolarHBondContact O-CB 3.33Å; G203-I213 WeakPolarHBondContact O-CG1 3.4Å; G203-I213 PolarHBondContact O-N 2.98Å; G203-P228 WeakPolarHBondContact O-CB 3.44Å; G203-P228 VanDerWaalsContact O-CG 3.26Å; G203-P228 WeakPolarHBondContact O-CG 3.27Å
204W95.5Very high93.1Very high48 Ų4872.6 Ų72.618%0.18239%0.391CS..EExtended strand (participates in β ladder)trans-118.5150.6176.8-62.691.4000112.3H189 C200 L201 C209 K211 P212 I213 P228H189-W204 HydrophobicContact CB-CB 4.16Å; H189-W204 HydrophobicContact CB-CD2 3.68Å; H189-W204 HydrophobicContact CB-CE3 4.38Å; H189-W204 HydrophobicContact CB-CG 3.53Å; H189-W204 AromaticContact CD2-CD2 3.31Å; H189-W204 AromaticContact CD2-CE2 3.32Å; H189-W204 AromaticContact CD2-CE3 3.28Å; H189-W204 AromaticContact CD2-CH2 3.34Å; H189-W204 WeakPolarHBondContact CD2-CH2 3.43Å; H189-W204 AromaticContact CD2-CZ2 3.36Å; H189-W204 WeakPolarHBondContact CD2-CZ2 3.28Å; H189-W204 AromaticContact CD2-CZ3 3.29Å; H189-W204 WeakPolarHBondContact CD2-CZ3 3.04Å; H189-W204 AromaticContact CE1-CH2 3.9Å; H189-W204 AromaticContact CE1-CZ2 3.59Å; H189-W204 AromaticContact CG-CD2 3.55Å; H189-W204 AromaticContact CG-CE2 3.37Å; H189-W204 AromaticContact CG-CG 3.97Å; H189-W204 AromaticContact CG-CZ2 3.72Å; H189-W204 AromaticContact CG-NE1 3.63Å; H189-W204 AromaticContact ND1-CE2 3.83Å; H189-W204 AromaticContact ND1-CZ2 3.85Å; H189-W204 AromaticContact ND1-NE1 3.99Å; H189-W204 AromaticContact NE2-CE2 3.77Å; H189-W204 AromaticContact NE2-CH2 3.13Å; H189-W204 WeakPolarHBondContact NE2-CH2 3.08Å; H189-W204 AromaticContact NE2-CZ2 3.27Å; H189-W204 VanDerWaalsContact NE2-CZ2 3.27Å; H189-W204 WeakPolarHBondContact NE2-CZ2 3.06Å; H189-W204 AromaticContact NE2-CZ3 3.52Å; C200-W204 HydrophobicContact CB-CB 4.41Å; C200-W204 WeakPolarHBondContact CB-O 3.27Å; L201-W204 PolarHBondContact O-N 3.45Å; W204-C209 HydrophobicContact CB-CB 4.26Å; W204-K211 CarbonylContact C-O 3.58Å; W204-K211 WeakPolarHBondContact CA-O 3.38Å; W204-P212 HydrophobicContact CE3-CB 4.41Å; W204-P212 HydrophobicContact CZ3-CB 4.19Å; W204-I213 WeakPolarHBondContact O-CD1 3.31Å; W204-P228 HydrophobicContact CD2-CG 4.28Å; W204-P228 HydrophobicContact CZ2-CG 3.97Å
205K94.6Very high93.6Very high110 Ų11069.3 Ų69.348%0.47837%0.367SS..EExtended strand (participates in β ladder)trans-147.1174.6-179.965.3173.5174.6-174.60111.3C209 D210 K211 I213K205-C209 CarbonylContact O-C 3.54Å; K205-C209 WeakPolarHBondContact O-CA 3.39Å; K205-D210 PolarHBondContact O-N 2.66Å; K205-K211 HydrophobicContact CG-CB 4.06Å; K205-K211 WeakPolarHBondContact CG-O 3.36Å; K205-K211 PolarHBondContact N-O 3.4Å; K205-K211 WeakPolarHBondContact O-CB 3.49Å; K205-K211 PolarHBondContact O-N 3.17Å; K205-I213 HydrophobicContact CB-CD1 4.22Å; K205-I213 HydrophobicContact CB-CG1 3.87Å; K205-I213 HydrophobicContact CD-CG1 3.99Å; K205-I213 HydrophobicContact CG-CG1 3.81Å
206G92.9Very high94Very high37 Ų3773.1 Ų73.138%0.38138%0.382SS..SBendtrans102.4170.5-178.200000111.5Y208 C209G206-Y208 PolarHBondContact O-N 2.88Å; G206-C209 PolarHBondContact O-N 3.21Å
207E92.3Very high94.2Very high152 Ų15275.6 Ų75.671%0.7141%0.407SS*.THydrogen-bonded Turntrans-61.4-31.3-176.9-172.7177172.500112.6
208Y93.5Very high94.5Very high124 Ų12471 Ų7149%0.48639%0.387SS..THydrogen-bonded Turntrans-115.914.4178.9-58.3-69000113G188 Y190 I198 G206 D210G188-Y208 VanDerWaalsContact CA-O 3.3Å; G188-Y208 WeakPolarHBondContact CA-O 3.39Å; Y190-Y208 VanDerWaalsContact CD1-O 3.31Å; Y190-Y208 WeakPolarHBondContact CD1-O 3.45Å; I198-Y208 HydrophobicContact CD1-CD1 4.06Å; G206-Y208 PolarHBondContact O-N 2.88Å; Y208-D210 PolarHBondContact O-N 2.82Å
209C95.6Very high94.6Very high0 Ų070.4 Ų70.40%038%0.384CS..SBendtrans51.240.5-177.3-47.30000113H189 Y190 I198 C200 W204 K205 G206H189-C209 PolarHBondContact N-O 3.48Å; H189-C209 VanDerWaalsContact O-CB 3.23Å; H189-C209 WeakPolarHBondContact O-CB 3.34Å; Y190-C209 HydrophobicContact CD1-CB 4.13Å; I198-C209 WeakPolarHBondContact CG2-SG 3.41Å; C200-C209 WeakPolarHBondContact CA-SG 3.44Å; C200-C209 HydrophobicContact CB-CB 3.66Å; C200-C209 WeakPolarHBondContact CB-SG 3.5Å; C200-C209 WeakPolarHBondContact SG-CB 3.04Å; C200-C209 CovalentContact SG-SG 2.02Å; C200-C209 PolarHBondContact SG-SG 2.04Å; W204-C209 HydrophobicContact CB-CB 4.26Å; K205-C209 CarbonylContact O-C 3.54Å; K205-C209 WeakPolarHBondContact O-CA 3.39Å; G206-C209 PolarHBondContact O-N 3.21Å
210D94.4Very high94.4Very high71 Ų7175.1 Ų75.138%0.3840%0.404SS..  trans-98.6-11-176.463.2-41000112.4K205 Y208K205-D210 PolarHBondContact O-N 2.66Å; Y208-D210 PolarHBondContact O-N 2.82Å
211K93.8Very high94.2Very high119 Ų11976.7 Ų76.752%0.51742%0.415SS..EExtended strand (participates in β ladder)trans-105.3126.9-178.3-62.3177.2-174.1176.60110.2W204 K205W204-K211 CarbonylContact C-O 3.58Å; W204-K211 WeakPolarHBondContact CA-O 3.38Å; K205-K211 HydrophobicContact CG-CB 4.06Å; K205-K211 WeakPolarHBondContact CG-O 3.36Å; K205-K211 PolarHBondContact N-O 3.4Å; K205-K211 WeakPolarHBondContact O-CB 3.49Å; K205-K211 PolarHBondContact O-N 3.17Å
212P95.1Very high94.1Very high21 Ų2175.3 Ų75.314%0.13641%0.408CS..EExtended strand (participates in β ladder)trans-68149.1173.629.2-35000110.7G203 W204 C225 P228G203-P212 CarbonylContact O-C 3.44Å; W204-P212 HydrophobicContact CE3-CB 4.41Å; W204-P212 HydrophobicContact CZ3-CB 4.19Å; P212-C225 WeakPolarHBondContact CG-O 3.35Å; P212-P228 HydrophobicContact CB-CG 4.14Å
213I94.5Very high94.1Very high73 Ų7369.7 Ų69.737%0.37437%0.372SS..  trans-88114.3167.9-59.4174.9000106.5G203 W204 K205 P228 G229G203-I213 WeakPolarHBondContact O-CB 3.33Å; G203-I213 WeakPolarHBondContact O-CG1 3.4Å; G203-I213 PolarHBondContact O-N 2.98Å; W204-I213 WeakPolarHBondContact O-CD1 3.31Å; K205-I213 HydrophobicContact CB-CD1 4.22Å; K205-I213 HydrophobicContact CB-CG1 3.87Å; K205-I213 HydrophobicContact CD-CG1 3.99Å; K205-I213 HydrophobicContact CG-CG1 3.81Å; I213-P228 WeakPolarHBondContact O-CA 3.32Å; I213-G229 PolarHBondContact O-N 2.87Å
214C95.4Very high94.1Very high38 Ų3871.2 Ų71.226%0.25738%0.377SS..PPolyproline II helixtrans-66.1167.6178.8-51.80000111.2E216 C218 C225 E230C214-E216 PolarHBondContact O-N 3.42Å; C214-C218 HydrophobicContact CB-CB 4.06Å; C214-C225 WeakPolarHBondContact CA-SG 3.45Å; C214-C225 HydrophobicContact CB-CB 3.65Å; C214-C225 WeakPolarHBondContact CB-SG 3.33Å; C214-C225 PolarHBondContact N-SG 2.87Å; C214-C225 WeakPolarHBondContact SG-CB 3.03Å; C214-C225 CovalentContact SG-SG 2.04Å; C214-C225 PolarHBondContact SG-SG 3.39Å; C214-E230 WeakPolarHBondContact CA-O 3.4Å
215L94.9Very high94Very high54 Ų5469.9 Ų69.928%0.28338%0.375SS..PPolyproline II helixtrans-49.4137173-172.365000110.9G217 C218 G229 E230 C231 L240 F241L215-G217 PolarHBondContact O-N 2.78Å; L215-C218 HydrophobicContact CB-CB 4.44Å; L215-C218 WeakPolarHBondContact O-CB 3.18Å; L215-C218 PolarHBondContact O-N 3.47Å; L215-G229 WeakPolarHBondContact CB-O 3.14Å; L215-E230 PolarHBondContact N-O 2.97Å; L215-C231 HydrophobicContact CB-CB 4.04Å; L215-C231 HydrophobicContact CD2-CB 4.47Å; L215-L240 HydrophobicContact CD2-CD1 4.07Å; L215-L240 HydrophobicContact CD2-CG 3.96Å; L215-F241 HydrophobicContact CD2-CD1 4.18Å; L215-F241 HydrophobicContact CD2-CE1 3.89Å; L215-F241 HydrophobicContact CG-CE1 4.31Å
216E94Very high93.8Very high181 Ų18171.9 Ų71.985%0.84639%0.386SS*.THydrogen-bonded Turntrans-59.2127177.6-169.6176-178.700110.3C214 F241C214-E216 PolarHBondContact O-N 3.42Å; E216-F241 WeakPolarHBondContact O-CE1 3.08Å
217G92.9Very high93.7Very high60 Ų6075 Ų7562%0.61939%0.393SS*.THydrogen-bonded Turntrans88.4-5.2-174.500000115.3L215 N219 F241L215-G217 PolarHBondContact O-N 2.78Å; G217-N219 PolarHBondContact O-N 2.89Å; G217-F241 WeakPolarHBondContact O-CB 3.45Å
218C95.7Very high93.8Very high18 Ų1870.1 Ų70.112%0.12237%0.374CS..  trans-57.6127.7173.5-172.80000110.8C214 L215 E220 C231C214-C218 HydrophobicContact CB-CB 4.06Å; L215-C218 HydrophobicContact CB-CB 4.44Å; L215-C218 WeakPolarHBondContact O-CB 3.18Å; L215-C218 PolarHBondContact O-N 3.47Å; C218-E220 PolarHBondContact O-N 3.18Å; C218-C231 VanDerWaalsContact CA-SG 3.6Å; C218-C231 HydrophobicContact CB-CB 3.74Å; C218-C231 WeakPolarHBondContact CB-SG 3.29Å; C218-C231 WeakPolarHBondContact SG-CB 3.37Å; C218-C231 CovalentContact SG-SG 2.04Å; C218-C231 PolarHBondContact SG-SG 2.03Å
219N94.9Very high93.7Very high47 Ų4766.3 Ų66.325%0.25137%0.373SS..  trans-64.1125.8-176.9-176.4-57000111.2G217 S221 N222 G223 F241G217-N219 PolarHBondContact O-N 2.89Å; N219-S221 PolarHBondContact O-N 3.28Å; N219-S221 PolarHBondContact OD1-N 2.82Å; N219-S221 PolarHBondContact OD1-OG 2.87Å; N219-N222 HydrophobicContact CB-CB 4.16Å; N219-N222 PolarHBondContact O-N 3.23Å; N219-N222 PolarHBondContact OD1-N 2.99Å; N219-G223 VanDerWaalsContact O-CA 3.27Å; N219-G223 WeakPolarHBondContact O-CA 3.25Å; N219-G223 PolarHBondContact O-N 2.04Å; N219-F241 VanDerWaalsContact CB-O 3.25Å; N219-F241 WeakPolarHBondContact CB-O 3.27Å; N219-F241 PolarHBondContact N-O 2.75Å
220E91.6Very high93.6Very high188 Ų18869.5 Ų69.588%0.87939%0.388SS*.THydrogen-bonded Turntrans-69.5-30.1-173.8-62.1-170.6162.500114.2C218C218-E220 PolarHBondContact O-N 3.18Å
221S92.1Very high93.7Very high74 Ų7467.2 Ų67.252%0.51738%0.377SS..THydrogen-bonded Turntrans-83.6-35.917859.40000111.6N219 R234N219-S221 PolarHBondContact O-N 3.28Å; N219-S221 PolarHBondContact OD1-N 2.82Å; N219-S221 PolarHBondContact OD1-OG 2.87Å; S221-R234 VanDerWaalsContact O-CD 3.23Å; S221-R234 WeakPolarHBondContact O-CD 3.14Å; S221-R234 PolarHBondContact O-NE 2.83Å
222N94.3Very high93.8Very high19 Ų1964.3 Ų64.310%0.10237%0.367CS..THydrogen-bonded Turntrans-107.7-17.9-165.4-57.5-15.7000113.6N219 R234 W237 C242N219-N222 HydrophobicContact CB-CB 4.16Å; N219-N222 PolarHBondContact O-N 3.23Å; N219-N222 PolarHBondContact OD1-N 2.99Å; N222-R234 WeakPolarHBondContact O-CB 3.5Å; N222-R234 VanDerWaalsContact O-CG 3.26Å; N222-R234 WeakPolarHBondContact O-CG 3.49Å; N222-R234 PolarHBondContact O-N 3.48Å; N222-W237 HydrophobicContact CB-CB 4.35Å; N222-W237 HydrophobicContact CB-CD2 3.81Å; N222-W237 HydrophobicContact CB-CE3 4.35Å; N222-W237 HydrophobicContact CB-CG 3.77Å; N222-W237 VanDerWaalsContact ND2-CE3 3.3Å; N222-W237 VanDerWaalsContact ND2-CH2 3.25Å; N222-W237 WeakPolarHBondContact ND2-CH2 3.3Å; N222-W237 WeakPolarHBondContact ND2-CZ2 3.15Å; N222-W237 VanDerWaalsContact ND2-CZ3 3.31Å; N222-W237 WeakPolarHBondContact ND2-CZ3 3.37Å; N222-C242 HydrophobicContact CB-CB 4.38Å; N222-C242 WeakPolarHBondContact CB-O 3.5Å
223G94.1Very high93.8Very high6 Ų665.2 Ų65.26%0.06237%0.373CS..EExtended strand (participates in β ladder)trans-110.9151.9178.100000112.3N219 I232N219-G223 VanDerWaalsContact O-CA 3.27Å; N219-G223 WeakPolarHBondContact O-CA 3.25Å; N219-G223 PolarHBondContact O-N 2.04Å; G223-I232 CarbonylContact C-O 3.4Å; G223-I232 WeakPolarHBondContact CA-O 3.38Å
224T94.3Very high93.8Very high56 Ų5668 Ų6834%0.34438%0.379SS..EExtended strand (participates in β ladder)trans-140.1164.6169.263.90000109.7I232T224-I232 PolarHBondContact N-O 2.85Å; T224-I232 WeakPolarHBondContact O-CA 3.01Å; T224-I232 WeakPolarHBondContact O-CB 3.09Å; T224-I232 PolarHBondContact O-N 2.88Å
225C93.6Very high93.8Very high19 Ų1974.1 Ų74.113%0.12840%0.404CS..  trans-138.8144.4176.2570000110.3P212 C214 E230P212-C225 WeakPolarHBondContact CG-O 3.35Å; C214-C225 WeakPolarHBondContact CA-SG 3.45Å; C214-C225 HydrophobicContact CB-CB 3.65Å; C214-C225 WeakPolarHBondContact CB-SG 3.33Å; C214-C225 PolarHBondContact N-SG 2.87Å; C214-C225 WeakPolarHBondContact SG-CB 3.03Å; C214-C225 CovalentContact SG-SG 2.04Å; C214-C225 PolarHBondContact SG-SG 3.39Å; C225-E230 HydrophobicContact CB-CB 4.33Å; C225-E230 VanDerWaalsContact CB-O 3.28Å; C225-E230 WeakPolarHBondContact CB-O 3.37Å
226Q90.4Very high93.8Very high153 Ų15371.6 Ų71.672%0.71539%0.39SS*.SBendtrans-105.8-29.9173.5-65.3-174.611.800111.5E230 I232Q226-E230 PolarHBondContact N-OE2 3.05Å; Q226-I232 HydrophobicContact CG-CD1 4.15Å
227I90.7Very high93.9Very high103 Ų10364.6 Ų64.653%0.52836%0.356SS..SBendtrans-118.1152.6172.357.2173.5000110.3G229 E230I227-G229 PolarHBondContact O-N 3.31Å; I227-E230 HydrophobicContact CG1-CB 3.81Å; I227-E230 HydrophobicContact CG1-CG 4.41Å; I227-E230 WeakPolarHBondContact CG1-OE2 3.12Å; I227-E230 WeakPolarHBondContact O-CB 3.26Å; I227-E230 PolarHBondContact O-N 2.78Å
228P94.1Very high94Very high49 Ų4965.6 Ų65.632%0.31835%0.345SS..THydrogen-bonded Turntrans-58.3138.6178.1-25.335000112.8G203 W204 P212 I213 E230G203-P228 WeakPolarHBondContact O-CB 3.44Å; G203-P228 VanDerWaalsContact O-CG 3.26Å; G203-P228 WeakPolarHBondContact O-CG 3.27Å; W204-P228 HydrophobicContact CD2-CG 4.28Å; W204-P228 HydrophobicContact CZ2-CG 3.97Å; P212-P228 HydrophobicContact CB-CG 4.14Å; I213-P228 WeakPolarHBondContact O-CA 3.32Å; P228-E230 VanDerWaalsContact C-N 3.28Å; P228-E230 PolarHBondContact O-N 2.76Å
229G91.3Very high93.9Very high44 Ų4466.9 Ų66.945%0.45436%0.361SS..THydrogen-bonded Turntrans77.94.3177.900000115.5I213 L215 I227I213-G229 PolarHBondContact O-N 2.87Å; L215-G229 WeakPolarHBondContact CB-O 3.14Å; I227-G229 PolarHBondContact O-N 3.31Å
230E94.2Very high93.8Very high66 Ų6670.3 Ų70.331%0.30838%0.378SS..  trans-90.8156.6171.8-171.8-174.9-151.300111.1C214 L215 C225 Q226 I227 P228 I232C214-E230 WeakPolarHBondContact CA-O 3.4Å; L215-E230 PolarHBondContact N-O 2.97Å; C225-E230 HydrophobicContact CB-CB 4.33Å; C225-E230 VanDerWaalsContact CB-O 3.28Å; C225-E230 WeakPolarHBondContact CB-O 3.37Å; Q226-E230 PolarHBondContact N-OE2 3.05Å; I227-E230 HydrophobicContact CG1-CB 3.81Å; I227-E230 HydrophobicContact CG1-CG 4.41Å; I227-E230 WeakPolarHBondContact CG1-OE2 3.12Å; I227-E230 WeakPolarHBondContact O-CB 3.26Å; I227-E230 PolarHBondContact O-N 2.78Å; P228-E230 VanDerWaalsContact C-N 3.28Å; P228-E230 PolarHBondContact O-N 2.76Å; E230-I232 HydrophobicContact CG-CD1 4.46Å; E230-I232 HydrophobicContact CG-CG1 3.83Å; E230-I232 WeakPolarHBondContact OE1-CD1 3.17Å; E230-I232 WeakPolarHBondContact OE1-CG1 3.1Å; E230-I232 WeakPolarHBondContact OE2-CD1 3.26Å
231C96Very high94Very high24 Ų2464.7 Ų64.716%0.16235%0.351CS..  trans-138.5103.7165.8-170.30000109.2L215 C218 C242L215-C231 HydrophobicContact CB-CB 4.04Å; L215-C231 HydrophobicContact CD2-CB 4.47Å; C218-C231 VanDerWaalsContact CA-SG 3.6Å; C218-C231 HydrophobicContact CB-CB 3.74Å; C218-C231 WeakPolarHBondContact CB-SG 3.29Å; C218-C231 WeakPolarHBondContact SG-CB 3.37Å; C218-C231 CovalentContact SG-SG 2.04Å; C218-C231 PolarHBondContact SG-SG 2.03Å; C231-C242 PolarHBondContact SG-SG 3.33Å
232I95.1Very high94.2Very high58 Ų5861.1 Ų61.130%0.29733%0.326SS..EExtended strand (participates in β ladder)trans-93.7121.6177.3-55.2171.2000108.3G223 T224 Q226 E230G223-I232 CarbonylContact C-O 3.4Å; G223-I232 WeakPolarHBondContact CA-O 3.38Å; T224-I232 PolarHBondContact N-O 2.85Å; T224-I232 WeakPolarHBondContact O-CA 3.01Å; T224-I232 WeakPolarHBondContact O-CB 3.09Å; T224-I232 PolarHBondContact O-N 2.88Å; Q226-I232 HydrophobicContact CG-CD1 4.15Å; E230-I232 HydrophobicContact CG-CD1 4.46Å; E230-I232 HydrophobicContact CG-CG1 3.83Å; E230-I232 WeakPolarHBondContact OE1-CD1 3.17Å; E230-I232 WeakPolarHBondContact OE1-CG1 3.1Å; E230-I232 WeakPolarHBondContact OE2-CD1 3.26Å
233C96.3Very high94.2Very high39 Ų3964.4 Ų64.426%0.26434%0.344SS..EExtended strand (participates in β ladder)trans-79.9137.4-179.7-52.20000111.9W237 G239 C242C233-W237 HydrophobicContact CB-CB 4.18Å; C233-W237 WeakPolarHBondContact CB-O 3.15Å; C233-G239 PolarHBondContact SG-O 3.27Å; C233-C242 WeakPolarHBondContact CA-SG 3.38Å; C233-C242 HydrophobicContact CB-CB 3.66Å; C233-C242 WeakPolarHBondContact CB-SG 3.5Å; C233-C242 PolarHBondContact N-SG 3.47Å; C233-C242 WeakPolarHBondContact SG-CA 3.02Å; C233-C242 WeakPolarHBondContact SG-CB 3.4Å; C233-C242 CovalentContact SG-SG 2.04Å; C233-C242 PolarHBondContact SG-SG 2.95Å
234R94.9Very high94.3Very high133 Ų13367.5 Ų67.550%0.50236%0.362SS..PPolyproline II helixtrans-63.4161.6167.6-68.2178.9-169-110.54.4110.4S221 N222 G236 W237S221-R234 VanDerWaalsContact O-CD 3.23Å; S221-R234 WeakPolarHBondContact O-CD 3.14Å; S221-R234 PolarHBondContact O-NE 2.83Å; N222-R234 WeakPolarHBondContact O-CB 3.5Å; N222-R234 VanDerWaalsContact O-CG 3.26Å; N222-R234 WeakPolarHBondContact O-CG 3.49Å; N222-R234 PolarHBondContact O-N 3.48Å; R234-G236 PolarHBondContact O-N 2.78Å; R234-W237 PolarHBondContact O-N 3.46Å
235E94.6Very high94.4Very high166 Ų16665.4 Ų65.478%0.77635%0.349SS*.THydrogen-bonded Turntrans-54.3134.5175.8-170.7173-178.500110.7Y260E235-Y260 WeakPolarHBondContact CG-OH 3.46Å
236G94.3Very high94.5Very high0 Ų068.5 Ų68.50%036%0.36CS..THydrogen-bonded Turntrans87.9-7.6-175.600000116.3R234 K246 P259 Y260R234-G236 PolarHBondContact O-N 2.78Å; G236-K246 WeakPolarHBondContact O-CB 3.14Å; G236-K246 PolarHBondContact O-N 2.99Å; G236-P259 WeakPolarHBondContact O-CB 3.31Å; G236-Y260 PolarHBondContact N-OH 3.06Å
237W96.4Very high94.7Very high35 Ų3564.4 Ų64.413%0.13334%0.343CS..EExtended strand (participates in β ladder)trans-117.8156.1178.6-62.889000112.3N222 C233 R234 V244 C245 K246 P259N222-W237 HydrophobicContact CB-CB 4.35Å; N222-W237 HydrophobicContact CB-CD2 3.81Å; N222-W237 HydrophobicContact CB-CE3 4.35Å; N222-W237 HydrophobicContact CB-CG 3.77Å; N222-W237 VanDerWaalsContact ND2-CE3 3.3Å; N222-W237 VanDerWaalsContact ND2-CH2 3.25Å; N222-W237 WeakPolarHBondContact ND2-CH2 3.3Å; N222-W237 WeakPolarHBondContact ND2-CZ2 3.15Å; N222-W237 VanDerWaalsContact ND2-CZ3 3.31Å; N222-W237 WeakPolarHBondContact ND2-CZ3 3.37Å; C233-W237 HydrophobicContact CB-CB 4.18Å; C233-W237 WeakPolarHBondContact CB-O 3.15Å; R234-W237 PolarHBondContact O-N 3.46Å; W237-V244 CarbonylContact C-O 3.58Å; W237-V244 WeakPolarHBondContact CA-O 3.34Å; W237-C245 HydrophobicContact CE3-CB 4.49Å; W237-C245 HydrophobicContact CZ3-CB 4.28Å; W237-K246 WeakPolarHBondContact O-CE 3.25Å; W237-K246 PolarHBondContact O-NZ 3.37Å; W237-P259 HydrophobicContact CD2-CG 4.44Å; W237-P259 HydrophobicContact CZ2-CG 4.02Å
238Q94.6Very high94.9Very high81 Ų8162.4 Ų62.438%0.37933%0.331SS..EExtended strand (participates in β ladder)trans-152-177.7-178.661.4179.6-13.500111C242 V244 C245 K246Q238-C242 WeakPolarHBondContact O-CA 3.23Å; Q238-V244 HydrophobicContact CG-CB 4Å; Q238-V244 HydrophobicContact CG-CG1 3.96Å; Q238-V244 VanDerWaalsContact CG-O 3.3Å; Q238-V244 WeakPolarHBondContact CG-O 3.31Å; Q238-V244 PolarHBondContact N-O 3.31Å; Q238-V244 WeakPolarHBondContact O-CB 3.4Å; Q238-V244 PolarHBondContact O-N 2.85Å; Q238-C245 PolarHBondContact NE2-O 3.16Å; Q238-K246 HydrophobicContact CB-CD 4.5Å; Q238-K246 HydrophobicContact CB-CG 3.88Å; Q238-K246 HydrophobicContact CG-CG 3.8Å
239G93.6Very high94.9Very high44 Ų4465.4 Ų65.445%0.45435%0.35SS..SBendtrans92.4170.2-174.200000111.7C233 F241C233-G239 PolarHBondContact SG-O 3.27Å; G239-F241 PolarHBondContact O-N 3.31Å
240L93.4Very high95Very high119 Ų11965.9 Ų65.962%0.62335%0.347SS*.SBendtrans-66.6-29.2-179.3-175.763.5000112.2L215L215-L240 HydrophobicContact CD2-CD1 4.07Å; L215-L240 HydrophobicContact CD2-CG 3.96Å
241F95.8Very high95.1Very high70 Ų7063.8 Ų63.831%0.30734%0.339SS..SBendtrans-111.54.7-176.1-55.5-63.1000113.5L215 E216 G217 N219 G239 D243L215-F241 HydrophobicContact CD2-CD1 4.18Å; L215-F241 HydrophobicContact CD2-CE1 3.89Å; L215-F241 HydrophobicContact CG-CE1 4.31Å; E216-F241 WeakPolarHBondContact O-CE1 3.08Å; G217-F241 WeakPolarHBondContact O-CB 3.45Å; N219-F241 VanDerWaalsContact CB-O 3.25Å; N219-F241 WeakPolarHBondContact CB-O 3.27Å; N219-F241 PolarHBondContact N-O 2.75Å; G239-F241 PolarHBondContact O-N 3.31Å; F241-D243 PolarHBondContact O-N 3.03Å
242C96.3Very high95Very high0 Ų069.6 Ų69.60%036%0.362CS..SBendtrans58.531.7-178.5-50.40000114.2N222 C231 C233 Q238N222-C242 HydrophobicContact CB-CB 4.38Å; N222-C242 WeakPolarHBondContact CB-O 3.5Å; C231-C242 PolarHBondContact SG-SG 3.33Å; C233-C242 WeakPolarHBondContact CA-SG 3.38Å; C233-C242 HydrophobicContact CB-CB 3.66Å; C233-C242 WeakPolarHBondContact CB-SG 3.5Å; C233-C242 PolarHBondContact N-SG 3.47Å; C233-C242 WeakPolarHBondContact SG-CA 3.02Å; C233-C242 WeakPolarHBondContact SG-CB 3.4Å; C233-C242 CovalentContact SG-SG 2.04Å; C233-C242 PolarHBondContact SG-SG 2.95Å; Q238-C242 WeakPolarHBondContact O-CA 3.23Å
243D94.9Very high94.9Very high88 Ų8870.3 Ų70.347%0.47136%0.364SS..  trans-102.2-7.7-179.760.4-26.5000112.8F241F241-D243 PolarHBondContact O-N 3.03Å
244V95.2Very high94.8Very high71 Ų7168.8 Ų68.843%0.4335%0.354SS..EExtended strand (participates in β ladder)trans-102124177.9-175.70000109.3W237 Q238W237-V244 CarbonylContact C-O 3.58Å; W237-V244 WeakPolarHBondContact CA-O 3.34Å; Q238-V244 HydrophobicContact CG-CB 4Å; Q238-V244 HydrophobicContact CG-CG1 3.96Å; Q238-V244 VanDerWaalsContact CG-O 3.3Å; Q238-V244 WeakPolarHBondContact CG-O 3.31Å; Q238-V244 PolarHBondContact N-O 3.31Å; Q238-V244 WeakPolarHBondContact O-CB 3.4Å; Q238-V244 PolarHBondContact O-N 2.85Å
245C96.1Very high94.8Very high11 Ų1165.9 Ų65.97%0.07435%0.352CS..EExtended strand (participates in β ladder)trans-66.8148.4172.853.50000111.2W237 Q238 C256W237-C245 HydrophobicContact CE3-CB 4.49Å; W237-C245 HydrophobicContact CZ3-CB 4.28Å; Q238-C245 PolarHBondContact NE2-O 3.16Å; C245-C256 VanDerWaalsContact C-SG 3.52Å; C245-C256 HydrophobicContact CB-CB 3.98Å; C245-C256 WeakPolarHBondContact CB-SG 3.49Å; C245-C256 PolarHBondContact O-SG 3.35Å; C245-C256 VanDerWaalsContact O-SG 3.33Å; C245-C256 VanDerWaalsContact SG-CA 3.59Å; C245-C256 WeakPolarHBondContact SG-CB 3.38Å; C245-C256 PolarHBondContact SG-O 3.47Å; C245-C256 CovalentContact SG-SG 2.03Å; C245-C256 PolarHBondContact SG-SG 3.07Å
246K96Very high94.9Very high84 Ų8459.1 Ų59.137%0.36532%0.323SS..PPolyproline II helixtrans-83.5126.6167.6-73.2178.7171.5167.60108.8G236 W237 Q238 Y260G236-K246 WeakPolarHBondContact O-CB 3.14Å; G236-K246 PolarHBondContact O-N 2.99Å; W237-K246 WeakPolarHBondContact O-CE 3.25Å; W237-K246 PolarHBondContact O-NZ 3.37Å; Q238-K246 HydrophobicContact CB-CD 4.5Å; Q238-K246 HydrophobicContact CB-CG 3.88Å; Q238-K246 HydrophobicContact CG-CG 3.8Å; K246-Y260 WeakPolarHBondContact O-CA 3.09Å; K246-Y260 PolarHBondContact O-N 3.27Å
247L94.4Very high94.8Very high67 Ų6766.9 Ų66.935%0.35136%0.359SS..PPolyproline II helixtrans-63.7156.8171.8-71161.6000110.9C251 C256L247-C251 HydrophobicContact CB-CB 4.15Å; L247-C256 HydrophobicContact CD2-CB 3.83Å
248H94.6Very high94.6Very high62 Ų6270.5 Ų70.529%0.28738%0.377SS..PPolyproline II helixtrans-53.3136.9167.6-169.5-93.6000110S250 C251 Y260 Q261 C262 F272H248-S250 PolarHBondContact ND1-N 2.8Å; H248-S250 PolarHBondContact O-N 2.96Å; H248-C251 HydrophobicContact CB-CB 4.23Å; H248-C251 WeakPolarHBondContact O-CB 3.23Å; H248-C251 PolarHBondContact O-N 2.81Å; H248-Y260 WeakPolarHBondContact CB-O 3.06Å; H248-Q261 PolarHBondContact N-O 3.32Å; H248-C262 HydrophobicContact CB-CB 4.28Å; H248-F272 AromaticContact CE1-CE1 3.38Å; H248-F272 WeakPolarHBondContact CE1-CE1 3.34Å; H248-F272 AromaticContact ND1-CD1 3.68Å; H248-F272 AromaticContact ND1-CE1 3.43Å; H248-F272 WeakPolarHBondContact ND1-CE1 3.48Å
249P94.4Very high94.7Very high111 Ų11168.3 Ų68.372%0.72137%0.37SS*.THydrogen-bonded Turntrans-55.8-30.8-175.5-28.335.2000114.9
250S94.6Very high94.7Very high55 Ų5571 Ų7139%0.38537%0.367SS..THydrogen-bonded Turntrans-86.1-6.3178.2-49.70000114.1H248 K252H248-S250 PolarHBondContact ND1-N 2.8Å; H248-S250 PolarHBondContact O-N 2.96Å; S250-K252 PolarHBondContact O-N 3.34Å
251C95.7Very high94.7Very high21 Ų2168.9 Ų68.914%0.14235%0.354CS..  trans-65.4123.7-176-166.70000111.3L247 H248 C262 F272L247-C251 HydrophobicContact CB-CB 4.15Å; H248-C251 HydrophobicContact CB-CB 4.23Å; H248-C251 WeakPolarHBondContact O-CB 3.23Å; H248-C251 PolarHBondContact O-N 2.81Å; C251-C262 WeakPolarHBondContact CA-SG 3.47Å; C251-C262 HydrophobicContact CB-CB 3.69Å; C251-C262 WeakPolarHBondContact CB-SG 3.38Å; C251-C262 WeakPolarHBondContact SG-CB 3.47Å; C251-C262 CovalentContact SG-SG 2.03Å; C251-C262 PolarHBondContact SG-SG 2.9Å; C251-F272 WeakPolarHBondContact CA-O 3.31Å
252K93.8Very high94.8Very high146 Ų14666.7 Ų66.764%0.63535%0.347SS*.SBendtrans-96.1-62.1179-63.2-63.7-174.61780111.9S250 F272 D274S250-K252 PolarHBondContact O-N 3.34Å; K252-F272 PolarHBondContact N-O 2.87Å; K252-D274 HydrophobicContact CB-CB 4.36Å; K252-D274 HydrophobicContact CG-CB 3.91Å
253H93.3Very high94.7Very high73 Ų7370.5 Ų70.534%0.33837%0.37SS..SBendtrans-121.853.6-172.9-58.2-80.3000112.4K265 W268 C273H253-K265 WeakPolarHBondContact O-CB 3.47Å; H253-K265 WeakPolarHBondContact O-CG 2.97Å; H253-K265 PolarHBondContact O-N 3.13Å; H253-W268 HydrophobicContact CB-CB 4.03Å; H253-W268 HydrophobicContact CB-CD2 3.47Å; H253-W268 VanDerWaalsContact CB-CD2 3.47Å; H253-W268 HydrophobicContact CB-CE3 4.08Å; H253-W268 HydrophobicContact CB-CG 3.4Å; H253-W268 VanDerWaalsContact CB-CG 3.4Å; H253-W268 AromaticContact CD2-CD2 3.5Å; H253-W268 AromaticContact CD2-CE2 3.55Å; H253-W268 AromaticContact CD2-CE3 3.36Å; H253-W268 AromaticContact CD2-CH2 3.39Å; H253-W268 WeakPolarHBondContact CD2-CH2 3.1Å; H253-W268 AromaticContact CD2-CZ2 3.52Å; H253-W268 AromaticContact CD2-CZ3 3.31Å; H253-W268 WeakPolarHBondContact CD2-CZ3 3.46Å; H253-W268 AromaticContact CE1-CH2 3.99Å; H253-W268 AromaticContact CE1-CZ2 3.72Å; H253-W268 AromaticContact CG-CD2 3.49Å; H253-W268 VanDerWaalsContact CG-CD2 3.49Å; H253-W268 AromaticContact CG-CE2 3.4Å; H253-W268 AromaticContact CG-CE3 3.87Å; H253-W268 AromaticContact CG-CG 3.99Å; H253-W268 AromaticContact CG-CZ2 3.72Å; H253-W268 AromaticContact CG-NE1 3.82Å; H253-W268 AromaticContact ND1-CE2 3.8Å; H253-W268 AromaticContact ND1-CZ2 3.83Å; H253-W268 AromaticContact NE2-CH2 3.38Å; H253-W268 WeakPolarHBondContact NE2-CH2 3.44Å; H253-W268 AromaticContact NE2-CZ2 3.57Å; H253-W268 AromaticContact NE2-CZ3 3.74Å; H253-C273 HydrophobicContact CB-CB 4.38Å; H253-C273 WeakPolarHBondContact CB-O 3.34Å; H253-C273 PolarHBondContact CD2-O 2.87Å; H253-C273 PolarHBondContact N-O 3.35Å; H253-C273 VanDerWaalsContact N-O 3.13Å
254G94.1Very high94.7Very high7 Ų768.3 Ų68.37%0.07236%0.362CS..EExtended strand (participates in β ladder)trans-127.6178-179.600000115.2T263G254-T263 CarbonylContact C-O 3.55Å; G254-T263 WeakPolarHBondContact CA-O 3.38Å
255T95.2Very high94.5Very high73 Ų7370.4 Ų70.445%0.44837%0.365SS..EExtended strand (participates in β ladder)trans-127167.4172.257.80000109.9T263 K265T255-T263 PolarHBondContact N-O 2.9Å; T255-T263 PolarHBondContact O-N 3.4Å; T255-K265 HydrophobicContact CG2-CG 4.4Å
256C95.7Very high94.1Very high24 Ų2479.3 Ų79.316%0.16241%0.405CS..  trans-134.3153174.555.50000110C245 L247 E258 Q261C245-C256 VanDerWaalsContact C-SG 3.52Å; C245-C256 HydrophobicContact CB-CB 3.98Å; C245-C256 WeakPolarHBondContact CB-SG 3.49Å; C245-C256 PolarHBondContact O-SG 3.35Å; C245-C256 VanDerWaalsContact O-SG 3.33Å; C245-C256 VanDerWaalsContact SG-CA 3.59Å; C245-C256 WeakPolarHBondContact SG-CB 3.38Å; C245-C256 PolarHBondContact SG-O 3.47Å; C245-C256 CovalentContact SG-SG 2.03Å; C245-C256 PolarHBondContact SG-SG 3.07Å; L247-C256 HydrophobicContact CD2-CB 3.83Å; C256-E258 WeakPolarHBondContact CB-O 3.47Å; C256-Q261 HydrophobicContact CB-CB 3.94Å
257E93.3Very high93.5Very high162 Ų16276 Ų7676%0.75740%0.395SS*.SBendtrans-112.5-42163.7-66.7-177.7173.200109.1
258E92.8Very high93.2Very high112 Ų11276.1 Ų76.152%0.52339%0.391SS..SBendtrans-103.7156.4170.6-64.6-64.9150.400111.9C256 Y260 Q261C256-E258 WeakPolarHBondContact CB-O 3.47Å; E258-Y260 PolarHBondContact O-N 3.1Å; E258-Q261 HydrophobicContact CB-CG 4.16Å; E258-Q261 WeakPolarHBondContact O-CB 3.46Å; E258-Q261 WeakPolarHBondContact O-CG 3.47Å; E258-Q261 PolarHBondContact O-N 2.76Å
259P95.1Very high92.8Very high34 Ų3473.6 Ų73.622%0.22138%0.382CS..THydrogen-bonded Turntrans-52.2139.1177.2-29.737.2000114.2G236 W237 Q261G236-P259 WeakPolarHBondContact O-CB 3.31Å; W237-P259 HydrophobicContact CD2-CG 4.44Å; W237-P259 HydrophobicContact CZ2-CG 4.02Å; P259-Q261 PolarHBondContact O-N 3.21Å
260Y93.9Very high92.6Very high100 Ų10069.9 Ų69.939%0.39236%0.363SS..THydrogen-bonded Turntrans63.215.6176.1-48.1-63.2000115.5E235 G236 K246 H248 E258E235-Y260 WeakPolarHBondContact CG-OH 3.46Å; G236-Y260 PolarHBondContact N-OH 3.06Å; K246-Y260 WeakPolarHBondContact O-CA 3.09Å; K246-Y260 PolarHBondContact O-N 3.27Å; H248-Y260 WeakPolarHBondContact CB-O 3.06Å; E258-Y260 PolarHBondContact O-N 3.1Å
261Q94.6Very high92.3Very high75 Ų7573.6 Ų73.635%0.3538%0.378SS..  trans-75.1160.8166.4-69.2-179.3-24.100111.6H248 C256 E258 P259H248-Q261 PolarHBondContact N-O 3.32Å; C256-Q261 HydrophobicContact CB-CB 3.94Å; E258-Q261 HydrophobicContact CB-CG 4.16Å; E258-Q261 WeakPolarHBondContact O-CB 3.46Å; E258-Q261 WeakPolarHBondContact O-CG 3.47Å; E258-Q261 PolarHBondContact O-N 2.76Å; P259-Q261 PolarHBondContact O-N 3.21Å
262C96.1Very high92.2Very high25 Ų2575.5 Ų75.517%0.16938%0.384CS..  trans-145.679.5172.2-172.20000108.5H248 C251 C273H248-C262 HydrophobicContact CB-CB 4.28Å; C251-C262 WeakPolarHBondContact CA-SG 3.47Å; C251-C262 HydrophobicContact CB-CB 3.69Å; C251-C262 WeakPolarHBondContact CB-SG 3.38Å; C251-C262 WeakPolarHBondContact SG-CB 3.47Å; C251-C262 CovalentContact SG-SG 2.03Å; C251-C262 PolarHBondContact SG-SG 2.9Å; C262-C273 PolarHBondContact O-SG 3.06Å; C262-C273 PolarHBondContact SG-SG 3.19Å
263T94.8Very high92.2Very high79 Ų7968.6 Ų68.649%0.48535%0.354SS..EExtended strand (participates in β ladder)trans-82.6116.6175.9-55.20000108.5G254 T255G254-T263 CarbonylContact C-O 3.55Å; G254-T263 WeakPolarHBondContact CA-O 3.38Å; T255-T263 PolarHBondContact N-O 2.9Å; T255-T263 PolarHBondContact O-N 3.4Å
264C94.4Very high92Very high43 Ų4369.2 Ų69.229%0.29136%0.359SS..EExtended strand (participates in β ladder)trans-68.1139-171.4-55.10000112.9W268 G270 C273C264-W268 HydrophobicContact CB-CB 4.26Å; C264-W268 WeakPolarHBondContact CB-O 3.07Å; C264-G270 PolarHBondContact SG-O 2.78Å; C264-C273 WeakPolarHBondContact CA-SG 3.37Å; C264-C273 HydrophobicContact CB-CB 3.73Å; C264-C273 WeakPolarHBondContact CB-SG 3.04Å; C264-C273 PolarHBondContact N-SG 3.37Å; C264-C273 WeakPolarHBondContact SG-CA 3.21Å; C264-C273 WeakPolarHBondContact SG-CB 3.01Å; C264-C273 CovalentContact SG-SG 2.04Å; C264-C273 PolarHBondContact SG-SG 3.26Å
265K91.3Very high91.7Very high115 Ų11571.9 Ų71.950%0.537%0.37SS..PPolyproline II helixtrans-67.6157.6169.3-66.4177.7-178.1179.50109.5H253 T255 G267 W268H253-K265 WeakPolarHBondContact O-CB 3.47Å; H253-K265 WeakPolarHBondContact O-CG 2.97Å; H253-K265 PolarHBondContact O-N 3.13Å; T255-K265 HydrophobicContact CG2-CG 4.4Å; K265-G267 PolarHBondContact O-N 3.29Å; K265-W268 PolarHBondContact O-N 2.03Å
266E87.3Confident91.3Very high197 Ų19769.1 Ų69.192%0.92135%0.353SS*.THydrogen-bonded Turntrans-52.4131177.5-168.2175.8-178.200111.2
267G83.7Confident90.7Very high15 Ų1571 Ų7116%0.15536%0.361CS..THydrogen-bonded Turntrans86.8-5-176.200000115.9K265 L277 N278K265-G267 PolarHBondContact O-N 3.29Å; G267-L277 WeakPolarHBondContact O-CB 3.49Å; G267-L277 PolarHBondContact O-N 3.24Å; G267-N278 WeakPolarHBondContact CA-ND2 3.34Å
268W88.9Confident90.3Very high70 Ų7066.8 Ų66.827%0.26534%0.343SS..EExtended strand (participates in β ladder)trans-112.6147.6175.7-66.188.1000111.8H253 C264 K265 C273 Q275 D276H253-W268 HydrophobicContact CB-CB 4.03Å; H253-W268 HydrophobicContact CB-CD2 3.47Å; H253-W268 VanDerWaalsContact CB-CD2 3.47Å; H253-W268 HydrophobicContact CB-CE3 4.08Å; H253-W268 HydrophobicContact CB-CG 3.4Å; H253-W268 VanDerWaalsContact CB-CG 3.4Å; H253-W268 AromaticContact CD2-CD2 3.5Å; H253-W268 AromaticContact CD2-CE2 3.55Å; H253-W268 AromaticContact CD2-CE3 3.36Å; H253-W268 AromaticContact CD2-CH2 3.39Å; H253-W268 WeakPolarHBondContact CD2-CH2 3.1Å; H253-W268 AromaticContact CD2-CZ2 3.52Å; H253-W268 AromaticContact CD2-CZ3 3.31Å; H253-W268 WeakPolarHBondContact CD2-CZ3 3.46Å; H253-W268 AromaticContact CE1-CH2 3.99Å; H253-W268 AromaticContact CE1-CZ2 3.72Å; H253-W268 AromaticContact CG-CD2 3.49Å; H253-W268 VanDerWaalsContact CG-CD2 3.49Å; H253-W268 AromaticContact CG-CE2 3.4Å; H253-W268 AromaticContact CG-CE3 3.87Å; H253-W268 AromaticContact CG-CG 3.99Å; H253-W268 AromaticContact CG-CZ2 3.72Å; H253-W268 AromaticContact CG-NE1 3.82Å; H253-W268 AromaticContact ND1-CE2 3.8Å; H253-W268 AromaticContact ND1-CZ2 3.83Å; H253-W268 AromaticContact NE2-CH2 3.38Å; H253-W268 WeakPolarHBondContact NE2-CH2 3.44Å; H253-W268 AromaticContact NE2-CZ2 3.57Å; H253-W268 AromaticContact NE2-CZ3 3.74Å; C264-W268 HydrophobicContact CB-CB 4.26Å; C264-W268 WeakPolarHBondContact CB-O 3.07Å; K265-W268 PolarHBondContact O-N 2.03Å; W268-C273 HydrophobicContact CB-CB 4.36Å; W268-Q275 CarbonylContact C-O 3.59Å; W268-Q275 WeakPolarHBondContact CA-O 3.07Å; W268-D276 HydrophobicContact CE3-CB 4.38Å; W268-D276 HydrophobicContact CH2-CB 4.21Å; W268-D276 HydrophobicContact CZ3-CB 3.95Å
269G86.7Confident89.9Confident9 Ų964.8 Ų64.89%0.09333%0.331CS..EExtended strand (participates in β ladder)trans-140.5178.5-177.700000113.2C273 D274 Q275G269-C273 CarbonylContact O-C 3.6Å; G269-C273 WeakPolarHBondContact O-CA 3.4Å; G269-D274 PolarHBondContact O-N 3.19Å; G269-Q275 PolarHBondContact N-O 3.48Å; G269-Q275 WeakPolarHBondContact O-CB 3.39Å; G269-Q275 PolarHBondContact O-N 3.2Å
270G88.7Confident89.5Confident32 Ų3263.8 Ų63.833%0.3333%0.325SS..THydrogen-bonded Turntrans86.9165.3-175.300000113.1C264 F272 C273C264-G270 PolarHBondContact SG-O 2.78Å; G270-F272 PolarHBondContact O-N 3.43Å; G270-F272 VanDerWaalsContact O-N 3.17Å; G270-C273 PolarHBondContact O-N 3.27Å
271I88.9Confident89Confident134 Ų13463.4 Ų63.469%0.68733%0.333SS*.THydrogen-bonded Turntrans-64.1-19.8-178.258.4169.3000113.5
272F93.8Very high88.4Confident61 Ų6164.5 Ų64.527%0.26834%0.342SS..THydrogen-bonded Turntrans-118.19.4179.9-57.9-46.3000113.1H248 C251 K252 G270 D274H248-F272 AromaticContact CE1-CE1 3.38Å; H248-F272 WeakPolarHBondContact CE1-CE1 3.34Å; H248-F272 AromaticContact ND1-CD1 3.68Å; H248-F272 AromaticContact ND1-CE1 3.43Å; H248-F272 WeakPolarHBondContact ND1-CE1 3.48Å; C251-F272 WeakPolarHBondContact CA-O 3.31Å; K252-F272 PolarHBondContact N-O 2.87Å; G270-F272 PolarHBondContact O-N 3.43Å; G270-F272 VanDerWaalsContact O-N 3.17Å; F272-D274 PolarHBondContact O-N 2.91Å
273C93.5Very high87.8Confident0 Ų068.4 Ų68.40%036%0.357CS..THydrogen-bonded Turntrans53.241.2179.5-48.70000112.5H253 C262 C264 W268 G269 G270H253-C273 HydrophobicContact CB-CB 4.38Å; H253-C273 WeakPolarHBondContact CB-O 3.34Å; H253-C273 PolarHBondContact CD2-O 2.87Å; H253-C273 PolarHBondContact N-O 3.35Å; H253-C273 VanDerWaalsContact N-O 3.13Å; C262-C273 PolarHBondContact O-SG 3.06Å; C262-C273 PolarHBondContact SG-SG 3.19Å; C264-C273 WeakPolarHBondContact CA-SG 3.37Å; C264-C273 HydrophobicContact CB-CB 3.73Å; C264-C273 WeakPolarHBondContact CB-SG 3.04Å; C264-C273 PolarHBondContact N-SG 3.37Å; C264-C273 WeakPolarHBondContact SG-CA 3.21Å; C264-C273 WeakPolarHBondContact SG-CB 3.01Å; C264-C273 CovalentContact SG-SG 2.04Å; C264-C273 PolarHBondContact SG-SG 3.26Å; W268-C273 HydrophobicContact CB-CB 4.36Å; G269-C273 CarbonylContact O-C 3.6Å; G269-C273 WeakPolarHBondContact O-CA 3.4Å; G270-C273 PolarHBondContact O-N 3.27Å
274D90.4Very high87.6Confident86 Ų8672.6 Ų72.646%0.4637%0.369SS..  trans-107.5-8.3-178.358-23.9000112.5K252 G269 F272K252-D274 HydrophobicContact CB-CB 4.36Å; K252-D274 HydrophobicContact CG-CB 3.91Å; G269-D274 PolarHBondContact O-N 3.19Å; F272-D274 PolarHBondContact O-N 2.91Å
275Q86.9Confident87.4Confident63 Ų6371.9 Ų71.929%0.29436%0.363SS..EExtended strand (participates in β ladder)trans-91.3123.8175-57.1175.5-19.100110.2W268 G269 L277 E297W268-Q275 CarbonylContact C-O 3.59Å; W268-Q275 WeakPolarHBondContact CA-O 3.07Å; G269-Q275 PolarHBondContact N-O 3.48Å; G269-Q275 WeakPolarHBondContact O-CB 3.39Å; G269-Q275 PolarHBondContact O-N 3.2Å; Q275-L277 PolarHBondContact O-N 3.31Å; Q275-E297 VanDerWaalsContact CD-O 3.24Å; Q275-E297 PolarHBondContact OE1-O 3.31Å
276D85.7Confident87.4Confident16 Ų1667.5 Ų67.59%0.08635%0.347CS..EExtended strand (participates in β ladder)trans-84.3103.7175.3-174.3-7.3000110.1W268 N278 Y279 N282 H283 G298W268-D276 HydrophobicContact CE3-CB 4.38Å; W268-D276 HydrophobicContact CH2-CB 4.21Å; W268-D276 HydrophobicContact CZ3-CB 3.95Å; D276-N278 PolarHBondContact O-N 2.03Å; D276-N278 VanDerWaalsContact OD1-C 3.27Å; D276-N278 WeakPolarHBondContact OD1-CA 3.02Å; D276-N278 PolarHBondContact OD1-N 3.18Å; D276-Y279 HydrophobicContact CB-CD2 4.31Å; D276-Y279 PolarHBondContact O-N 3.22Å; D276-Y279 PolarHBondContact OD1-N 3.35Å; D276-N282 PolarHBondContact OD1-ND2 3.28Å; D276-N282 PolarHBondContact OD2-ND2 2.04Å; D276-H283 IonicContact OD2-CD2 3.18Å; D276-H283 IonicContact OD2-NE2 2.62Å; D276-G298 WeakPolarHBondContact O-CA 3.45Å
277L84.4Confident87.6Confident63 Ų6359.8 Ų59.833%0.3332%0.317SS..THydrogen-bonded Turntrans-72.8-11.8179.7-59.3177.2000112.6G267 Q275 N294G267-L277 WeakPolarHBondContact O-CB 3.49Å; G267-L277 PolarHBondContact O-N 3.24Å; Q275-L277 PolarHBondContact O-N 3.31Å; L277-N294 VanDerWaalsContact O-CG 3.29Å; L277-N294 PolarHBondContact O-ND2 2.86Å
278N84.6Confident87.7Confident73 Ų7362.9 Ų62.939%0.3933%0.33SS..THydrogen-bonded Turntrans-113.534.7178.9-74.2-34.2000111.7G267 D276 C280 T281 N282G267-N278 WeakPolarHBondContact CA-ND2 3.34Å; D276-N278 PolarHBondContact O-N 2.03Å; D276-N278 VanDerWaalsContact OD1-C 3.27Å; D276-N278 WeakPolarHBondContact OD1-CA 3.02Å; D276-N278 PolarHBondContact OD1-N 3.18Å; N278-C280 VanDerWaalsContact C-N 3.28Å; N278-C280 PolarHBondContact O-N 3.35Å; N278-T281 PolarHBondContact O-N 3.29Å; N278-T281 VanDerWaalsContact O-N 3.07Å; N278-T281 PolarHBondContact O-OG1 3.38Å; N278-N282 PolarHBondContact O-N 2.8Å
279Y84.6Confident87.6Confident70 Ų7062.6 Ų62.628%0.27535%0.349SS..Hα-helixtrans-51.2-44.6-177.6-159.5-85.5000113.1D276 T281 N282 H283 P285 N294 Y300D276-Y279 HydrophobicContact CB-CD2 4.31Å; D276-Y279 PolarHBondContact O-N 3.22Å; D276-Y279 PolarHBondContact OD1-N 3.35Å; Y279-T281 PolarHBondContact O-N 2.87Å; Y279-N282 PolarHBondContact O-N 3.06Å; Y279-H283 HydrophobicContact CD1-CB 4Å; Y279-H283 AromaticContact CD2-CD2 3.8Å; Y279-H283 HydrophobicContact CE1-CB 3.7Å; Y279-H283 AromaticContact CE1-CG 3.93Å; Y279-H283 AromaticContact CE2-CD2 3.73Å; Y279-H283 AromaticContact CZ-CD2 3.88Å; Y279-H283 AromaticContact CZ-CG 3.88Å; Y279-H283 WeakPolarHBondContact O-CB 3.36Å; Y279-H283 PolarHBondContact O-N 3.43Å; Y279-P285 HydrophobicContact CD1-CG 4.25Å; Y279-P285 HydrophobicContact CE1-CB 4.49Å; Y279-P285 HydrophobicContact CE1-CG 4.24Å; Y279-N294 PolarHBondContact N-OD1 2.85Å; Y279-Y300 AromaticContact CD1-CD1 3.38Å; Y279-Y300 HydrophobicContact CD1-CD1 3.38Å; Y279-Y300 AromaticContact CD1-CE1 3.98Å; Y279-Y300 HydrophobicContact CD1-CE1 3.98Å; Y279-Y300 AromaticContact CD1-CG 3.98Å; Y279-Y300 HydrophobicContact CD1-CG 3.98Å; Y279-Y300 AromaticContact CE1-CD1 3.48Å; Y279-Y300 HydrophobicContact CE1-CD1 3.48Å; Y279-Y300 VanDerWaalsContact CE1-CD1 3.48Å; Y279-Y300 AromaticContact CE1-CE1 3.55Å; Y279-Y300 HydrophobicContact CE1-CE1 3.55Å; Y279-Y300 HydrophobicContact CE1-CG 4.38Å; Y279-Y300 HydrophobicContact CG-CD1 4.2Å
280C86.1Confident87.8Confident14 Ų1462.9 Ų62.910%0.09535%0.35CS..Hα-helixtrans-59-39.7179.4-73.70000114N278 K284 C292 M293 N294N278-C280 VanDerWaalsContact C-N 3.28Å; N278-C280 PolarHBondContact O-N 3.35Å; C280-K284 WeakPolarHBondContact O-CA 3.43Å; C280-K284 WeakPolarHBondContact O-CG 3.35Å; C280-K284 PolarHBondContact O-N 3.32Å; C280-K284 VanDerWaalsContact O-N 3.1Å; C280-C292 WeakPolarHBondContact CA-SG 3.27Å; C280-C292 HydrophobicContact CB-CB 3.64Å; C280-C292 WeakPolarHBondContact CB-SG 3.48Å; C280-C292 WeakPolarHBondContact SG-CB 3.43Å; C280-C292 CovalentContact SG-SG 2.03Å; C280-C292 PolarHBondContact SG-SG 3.49Å; C280-M293 PolarHBondContact SG-N 3.2Å; C280-N294 WeakPolarHBondContact CB-OD1 3.4Å; C280-N294 PolarHBondContact N-OD1 2.9Å; C280-N294 PolarHBondContact SG-OD1 3.45Å
281T83.5Confident87.9Confident91 Ų9165.6 Ų65.656%0.55836%0.361SS*.Hα-helixtrans-76.3-36-179.253.50000111.8N278 Y279N278-T281 PolarHBondContact O-N 3.29Å; N278-T281 VanDerWaalsContact O-N 3.07Å; N278-T281 PolarHBondContact O-OG1 3.38Å; Y279-T281 PolarHBondContact O-N 2.87Å
282N82.2Confident88.1Confident98 Ų9860.8 Ų60.852%0.52434%0.338SS..Hα-helixtrans-78.5-40.5-176.4-67-15.4000112.1D276 N278 Y279D276-N282 PolarHBondContact OD1-ND2 3.28Å; D276-N282 PolarHBondContact OD2-ND2 2.04Å; N278-N282 PolarHBondContact O-N 2.8Å; Y279-N282 PolarHBondContact O-N 3.06Å
283H84.3Confident87.9Confident108 Ų10863.2 Ų63.250%0.535%0.352SS..Hα-helixtrans-109.9-24-170.3-66.7-84.8000115D276 Y279D276-H283 IonicContact OD2-CD2 3.18Å; D276-H283 IonicContact OD2-NE2 2.62Å; Y279-H283 HydrophobicContact CD1-CB 4Å; Y279-H283 AromaticContact CD2-CD2 3.8Å; Y279-H283 HydrophobicContact CE1-CB 3.7Å; Y279-H283 AromaticContact CE1-CG 3.93Å; Y279-H283 AromaticContact CE2-CD2 3.73Å; Y279-H283 AromaticContact CZ-CD2 3.88Å; Y279-H283 AromaticContact CZ-CG 3.88Å; Y279-H283 WeakPolarHBondContact O-CB 3.36Å; Y279-H283 PolarHBondContact O-N 3.43Å
284K88.8Confident87.4Confident166 Ų16666.1 Ų66.172%0.72237%0.367SS*.  trans44.259.6-177.5-59.6178.5-177.2177.20113.5C280 C286C280-K284 WeakPolarHBondContact O-CA 3.43Å; C280-K284 WeakPolarHBondContact O-CG 3.35Å; C280-K284 PolarHBondContact O-N 3.32Å; C280-K284 VanDerWaalsContact O-N 3.1Å; K284-C286 PolarHBondContact O-N 3.21Å
285P90.4Very high86.9Confident28 Ų2866 Ų6618%0.18237%0.37CS..  trans-72.1-25.9-169.528.9-36000114.5Y279 Y300 N312Y279-P285 HydrophobicContact CD1-CG 4.25Å; Y279-P285 HydrophobicContact CE1-CB 4.49Å; Y279-P285 HydrophobicContact CE1-CG 4.24Å; P285-Y300 HydrophobicContact CB-CD2 4.05Å; P285-Y300 HydrophobicContact CB-CE1 4.2Å; P285-Y300 HydrophobicContact CB-CE2 3.46Å; P285-Y300 VanDerWaalsContact CB-CE2 3.46Å; P285-Y300 HydrophobicContact CG-CD1 4.12Å; P285-Y300 HydrophobicContact CG-CD2 3.3Å; P285-Y300 HydrophobicContact CG-CE1 4.12Å; P285-Y300 HydrophobicContact CG-CE2 3.28Å; P285-Y300 HydrophobicContact CG-CG 3.74Å; P285-N312 PolarHBondContact O-OD1 3.29Å
286C92.5Very high86Confident24 Ų2464.5 Ų64.516%0.16237%0.371CS..  trans-75.8131.1-174.7-480000112.8K284 A290 C292 C302K284-C286 PolarHBondContact O-N 3.21Å; C286-A290 HydrophobicContact CB-CB 3.93Å; C286-C292 HydrophobicContact CB-CB 4.43Å; C286-C292 WeakPolarHBondContact SG-CA 3.38Å; C286-C292 WeakPolarHBondContact SG-CB 3.36Å; C286-C292 VanDerWaalsContact SG-SG 3.67Å; C286-C302 WeakPolarHBondContact CA-SG 3.21Å; C286-C302 HydrophobicContact CB-CB 3.75Å; C286-C302 WeakPolarHBondContact CB-SG 3.4Å; C286-C302 WeakPolarHBondContact SG-CA 3.41Å; C286-C302 WeakPolarHBondContact SG-CB 3.44Å; C286-C302 CovalentContact SG-SG 2.02Å; C286-C302 PolarHBondContact SG-SG 3.17Å
287A90.1Very high85.4Confident34 Ų3470.3 Ų70.328%0.28140%0.398SS..  trans-91.2173.9177.700000112.5G289 A290 N312 D314A287-G289 VanDerWaalsContact C-N 3.26Å; A287-G289 PolarHBondContact O-N 2.83Å; A287-G289 VanDerWaalsContact O-N 3.08Å; A287-A290 VanDerWaalsContact O-CB 3.24Å; A287-A290 WeakPolarHBondContact O-CB 3Å; A287-A290 PolarHBondContact O-N 2.02Å; A287-N312 WeakPolarHBondContact CB-O 3.24Å; A287-N312 PolarHBondContact N-O 3.32Å; A287-D314 HydrophobicContact CB-CB 4.23Å
288N87.6Confident84.7Confident80 Ų8068.2 Ų68.243%0.42839%0.392SS..THydrogen-bonded Turntrans54.233.5168.8-58.8-44.1000115.6A290 L305 F308 C313N288-A290 PolarHBondContact O-N 3.02Å; N288-L305 WeakPolarHBondContact O-CD1 3.5Å; N288-F308 HydrophobicContact CB-CD1 3.83Å; N288-F308 HydrophobicContact CB-CD2 4.29Å; N288-F308 HydrophobicContact CB-CE1 3.78Å; N288-F308 HydrophobicContact CB-CE2 4.24Å; N288-F308 HydrophobicContact CB-CG 4.09Å; N288-F308 HydrophobicContact CB-CZ 3.99Å; N288-F308 VanDerWaalsContact CG-CE1 3.44Å; N288-F308 VanDerWaalsContact ND2-CD1 3.27Å; N288-F308 WeakPolarHBondContact ND2-CD1 3.02Å; N288-F308 WeakPolarHBondContact ND2-CE1 3.43Å; N288-C313 PolarHBondContact ND2-O 3.08Å
289G84.9Confident84.4Confident64 Ų6472.5 Ų72.566%0.6640%0.404SS*.THydrogen-bonded Turntrans71.713.6178.700000114.4A287A287-G289 VanDerWaalsContact C-N 3.26Å; A287-G289 PolarHBondContact O-N 2.83Å; A287-G289 VanDerWaalsContact O-N 3.08Å
290A90.9Very high84.6Confident15 Ų1571.2 Ų71.212%0.12440%0.399CS..PPolyproline II helixtrans-64.8151.6173.600000112C286 A287 N288 A303 C313C286-A290 HydrophobicContact CB-CB 3.93Å; A287-A290 VanDerWaalsContact O-CB 3.24Å; A287-A290 WeakPolarHBondContact O-CB 3Å; A287-A290 PolarHBondContact O-N 2.02Å; N288-A290 PolarHBondContact O-N 3.02Å; A290-A303 WeakPolarHBondContact CA-O 3.41Å; A290-A303 WeakPolarHBondContact CB-O 3.34Å; A290-C313 HydrophobicContact CB-CB 3.7Å; A290-C313 VanDerWaalsContact CB-SG 3.55Å
291T91.6Very high84.8Confident89 Ų8973.9 Ų73.955%0.54642%0.415SS..EExtended strand (participates in β ladder)trans-91.4122.3-179.8-59.40000110.3A303T291-A303 PolarHBondContact N-O 2.82Å; T291-A303 PolarHBondContact O-N 3.25Å
292C92.3Very high85.2Confident33 Ų3370.2 Ų70.222%0.22339%0.392CS..EExtended strand (participates in β ladder)trans-84.2133.7175.8-166.30000111.1C280 C286C280-C292 WeakPolarHBondContact CA-SG 3.27Å; C280-C292 HydrophobicContact CB-CB 3.64Å; C280-C292 WeakPolarHBondContact CB-SG 3.48Å; C280-C292 WeakPolarHBondContact SG-CB 3.43Å; C280-C292 CovalentContact SG-SG 2.03Å; C280-C292 PolarHBondContact SG-SG 3.49Å; C286-C292 HydrophobicContact CB-CB 4.43Å; C286-C292 WeakPolarHBondContact SG-CA 3.38Å; C286-C292 WeakPolarHBondContact SG-CB 3.36Å; C286-C292 VanDerWaalsContact SG-SG 3.67Å
293M89.4Confident85.5Confident112 Ų11268 Ų6855%0.55239%0.388SS*.EExtended strand (participates in β ladder)trans-126.8127.3175.3-56.6178.47500109.8C280 Y300 T301C280-M293 PolarHBondContact SG-N 3.2Å; M293-Y300 CarbonylContact O-C 3.51Å; M293-Y300 WeakPolarHBondContact O-CA 3.39Å; M293-T301 HydrophobicContact CB-CG2 3.93Å; M293-T301 PolarHBondContact N-O 2.85Å; M293-T301 PolarHBondContact O-N 3.2Å
294N84.7Confident85.7Confident61 Ų6165.1 Ų65.133%0.32638%0.379SS..EExtended strand (participates in β ladder)trans-73.9127.2173.1-61.7-45.8000108.7L277 Y279 C280L277-N294 VanDerWaalsContact O-CG 3.29Å; L277-N294 PolarHBondContact O-ND2 2.86Å; Y279-N294 PolarHBondContact N-OD1 2.85Å; C280-N294 WeakPolarHBondContact CB-OD1 3.4Å; C280-N294 PolarHBondContact N-OD1 2.9Å; C280-N294 PolarHBondContact SG-OD1 3.45Å
295T79.4Confident85.4Confident84 Ų8461.3 Ų61.352%0.51537%0.366SS..EExtended strand (participates in β ladder)trans-920.9-178.651.60000113.2Y299 T301T295-Y299 PolarHBondContact N-O 2.85Å; T295-Y299 WeakPolarHBondContact OG1-CB 3.37Å; T295-Y299 PolarHBondContact OG1-O 3.14Å; T295-Y299 VanDerWaalsContact OG1-O 3.14Å; T295-T301 HydrophobicContact CG2-CG2 3.63Å
296G67.6Low84.9Confident31 Ų3166 Ų6632%0.3240%0.397SS..EExtended strand (participates in β ladder)trans84.2166-169.300000111.9G298 Y299G296-G298 PolarHBondContact O-N 2.97Å; G296-G298 VanDerWaalsContact O-N 3.14Å; G296-Y299 PolarHBondContact O-N 3.21Å
297E73.3Confident84Confident138 Ų13866.4 Ų66.465%0.64541%0.405SS*.THydrogen-bonded Turntrans60.219179.9-53.1-171.7151.400116.2Q275 Y299Q275-E297 VanDerWaalsContact CD-O 3.24Å; Q275-E297 PolarHBondContact OE1-O 3.31Å; E297-Y299 HydrophobicContact CB-CD2 4.31Å
298G68.9Low83.7Confident20 Ų2067.8 Ų67.821%0.20641%0.405CS..THydrogen-bonded Turntrans86.810.2-179.300000114.9D276 G296D276-G298 WeakPolarHBondContact O-CA 3.45Å; G296-G298 PolarHBondContact O-N 2.97Å; G296-G298 VanDerWaalsContact O-N 3.14Å
299Y79.6Confident83.3Confident162 Ų16265.6 Ų65.664%0.63540%0.398SS*.EExtended strand (participates in β ladder)trans-103.3158.9177.2-70.4-85.7000112.5T295 G296 E297T295-Y299 PolarHBondContact N-O 2.85Å; T295-Y299 WeakPolarHBondContact OG1-CB 3.37Å; T295-Y299 PolarHBondContact OG1-O 3.14Å; T295-Y299 VanDerWaalsContact OG1-O 3.14Å; G296-Y299 PolarHBondContact O-N 3.21Å; E297-Y299 HydrophobicContact CB-CD2 4.31Å
300Y87.4Confident83.3Confident44 Ų4464.2 Ų64.217%0.17338%0.383CS..EExtended strand (participates in β ladder)trans-132.7161.1176.571.5-83.9000111Y279 P285 M293 N312Y279-Y300 AromaticContact CD1-CD1 3.38Å; Y279-Y300 HydrophobicContact CD1-CD1 3.38Å; Y279-Y300 AromaticContact CD1-CE1 3.98Å; Y279-Y300 HydrophobicContact CD1-CE1 3.98Å; Y279-Y300 AromaticContact CD1-CG 3.98Å; Y279-Y300 HydrophobicContact CD1-CG 3.98Å; Y279-Y300 AromaticContact CE1-CD1 3.48Å; Y279-Y300 HydrophobicContact CE1-CD1 3.48Å; Y279-Y300 VanDerWaalsContact CE1-CD1 3.48Å; Y279-Y300 AromaticContact CE1-CE1 3.55Å; Y279-Y300 HydrophobicContact CE1-CE1 3.55Å; Y279-Y300 HydrophobicContact CE1-CG 4.38Å; Y279-Y300 HydrophobicContact CG-CD1 4.2Å; P285-Y300 HydrophobicContact CB-CD2 4.05Å; P285-Y300 HydrophobicContact CB-CE1 4.2Å; P285-Y300 HydrophobicContact CB-CE2 3.46Å; P285-Y300 VanDerWaalsContact CB-CE2 3.46Å; P285-Y300 HydrophobicContact CG-CD1 4.12Å; P285-Y300 HydrophobicContact CG-CD2 3.3Å; P285-Y300 HydrophobicContact CG-CE1 4.12Å; P285-Y300 HydrophobicContact CG-CE2 3.28Å; P285-Y300 HydrophobicContact CG-CG 3.74Å; M293-Y300 CarbonylContact O-C 3.51Å; M293-Y300 WeakPolarHBondContact O-CA 3.39Å; Y300-N312 VanDerWaalsContact CE2-OD1 3.23Å; Y300-N312 WeakPolarHBondContact CE2-OD1 3.18Å; Y300-N312 PolarHBondContact OH-OD1 3.29Å
301T90.4Very high83Confident69 Ų6970.5 Ų70.542%0.42341%0.41SS..EExtended strand (participates in β ladder)trans-136.7146.6169.7-170.60000110.1M293 T295M293-T301 HydrophobicContact CB-CG2 3.93Å; M293-T301 PolarHBondContact N-O 2.85Å; M293-T301 PolarHBondContact O-N 3.2Å; T295-T301 HydrophobicContact CG2-CG2 3.63Å
302C92.4Very high83Confident14 Ų1468.2 Ų68.210%0.09540%0.395CS..EExtended strand (participates in β ladder)trans-107.8121.5178.5-62.70000110.3C286 C304 E311 C313C286-C302 WeakPolarHBondContact CA-SG 3.21Å; C286-C302 HydrophobicContact CB-CB 3.75Å; C286-C302 WeakPolarHBondContact CB-SG 3.4Å; C286-C302 WeakPolarHBondContact SG-CA 3.41Å; C286-C302 WeakPolarHBondContact SG-CB 3.44Å; C286-C302 CovalentContact SG-SG 2.02Å; C286-C302 PolarHBondContact SG-SG 3.17Å; C302-C304 PolarHBondContact O-N 3.4Å; C302-E311 WeakPolarHBondContact CB-O 3.01Å; C302-E311 PolarHBondContact SG-O 3.48Å; C302-C313 WeakPolarHBondContact CB-SG 3.5Å
303A89.2Confident82.9Confident51 Ų5166.7 Ų66.742%0.42138%0.384SS..EExtended strand (participates in β ladder)trans-82.199169.300000109.2A290 T291A290-A303 WeakPolarHBondContact CA-O 3.41Å; A290-A303 WeakPolarHBondContact CB-O 3.34Å; T291-A303 PolarHBondContact N-O 2.82Å; T291-A303 PolarHBondContact O-N 3.25Å
304C88.1Confident82.9Confident49 Ų4965.8 Ų65.833%0.33138%0.382SS..PPolyproline II helixtrans-69.4142.4-177.1-52.80000112.4C302 F308 C313C302-C304 PolarHBondContact O-N 3.4Å; C304-F308 HydrophobicContact CB-CB 4.39Å; C304-F308 VanDerWaalsContact CB-O 3.29Å; C304-F308 WeakPolarHBondContact CB-O 3.48Å; C304-C313 WeakPolarHBondContact CA-SG 3.27Å; C304-C313 HydrophobicContact CB-CB 3.69Å; C304-C313 WeakPolarHBondContact CB-SG 3.5Å; C304-C313 PolarHBondContact N-SG 3.48Å; C304-C313 VanDerWaalsContact N-SG 3.4Å; C304-C313 WeakPolarHBondContact SG-CA 3.42Å; C304-C313 WeakPolarHBondContact SG-CB 3.25Å; C304-C313 CovalentContact SG-SG 2.03Å; C304-C313 PolarHBondContact SG-SG 2.03Å
305L82.9Confident82.9Confident85 Ų8567.7 Ų67.745%0.44539%0.391SS..PPolyproline II helixtrans-72155.8168.7-67.5178.4000110.4N288 G307 F308N288-L305 WeakPolarHBondContact O-CD1 3.5Å; L305-G307 PolarHBondContact O-N 2.03Å; L305-F308 HydrophobicContact CB-CD2 4.3Å; L305-F308 PolarHBondContact O-N 3.49Å
306P79.1Confident82.7Confident127 Ų12771.2 Ų71.283%0.82540%0.402SS*.THydrogen-bonded Turntrans-52.1135.2175.2-25.734.5000111.8
307G73.8Confident82.7Confident32 Ų3272.1 Ų72.133%0.3340%0.401SS..THydrogen-bonded Turntrans88-0.6-175.300000114.7L305 E316 V317L305-G307 PolarHBondContact O-N 2.03Å; G307-E316 CarbonylContact O-C 3.5Å; G307-E316 WeakPolarHBondContact O-CA 3.46Å; G307-V317 PolarHBondContact O-N 3.14Å
308F82.9Confident82.5Confident64 Ų6472.6 Ų72.628%0.28140%0.397SS..EExtended strand (participates in β ladder)trans-124.5145.9175.6-61-84.8000112.3N288 C304 L305 C313 L315N288-F308 HydrophobicContact CB-CD1 3.83Å; N288-F308 HydrophobicContact CB-CD2 4.29Å; N288-F308 HydrophobicContact CB-CE1 3.78Å; N288-F308 HydrophobicContact CB-CE2 4.24Å; N288-F308 HydrophobicContact CB-CG 4.09Å; N288-F308 HydrophobicContact CB-CZ 3.99Å; N288-F308 VanDerWaalsContact CG-CE1 3.44Å; N288-F308 VanDerWaalsContact ND2-CD1 3.27Å; N288-F308 WeakPolarHBondContact ND2-CD1 3.02Å; N288-F308 WeakPolarHBondContact ND2-CE1 3.43Å; C304-F308 HydrophobicContact CB-CB 4.39Å; C304-F308 VanDerWaalsContact CB-O 3.29Å; C304-F308 WeakPolarHBondContact CB-O 3.48Å; L305-F308 HydrophobicContact CB-CD2 4.3Å; L305-F308 PolarHBondContact O-N 3.49Å; F308-C313 HydrophobicContact CB-CB 4.39Å; F308-L315 CarbonylContact C-O 3.58Å; F308-L315 WeakPolarHBondContact CA-O 3.23Å
309A80.3Confident82.6Confident34 Ų3475.5 Ų75.528%0.28141%0.405SS..EExtended strand (participates in β ladder)trans-146.7-175.617600000111.2C313 D314 L315 V317A309-C313 CarbonylContact O-C 3.59Å; A309-C313 VanDerWaalsContact O-CA 3.25Å; A309-C313 WeakPolarHBondContact O-CA 3.03Å; A309-D314 PolarHBondContact O-N 3.44Å; A309-L315 PolarHBondContact N-O 2.8Å; A309-L315 WeakPolarHBondContact O-CA 3.16Å; A309-L315 VanDerWaalsContact O-CB 3.27Å; A309-L315 WeakPolarHBondContact O-CB 3.22Å; A309-L315 PolarHBondContact O-N 3.32Å; A309-V317 HydrophobicContact CB-CG2 3.32Å
310G84Confident82.5Confident34 Ų3468.8 Ų68.835%0.35138%0.382SS..SBendtrans97165.1-171.300000111.8N312 C313G310-N312 PolarHBondContact O-N 2.95Å; G310-C313 PolarHBondContact O-N 3.1Å
311E86.4Confident81.8Confident147 Ų14771.9 Ų71.969%0.68740%0.401SS*.THydrogen-bonded Turntrans-58.7-36-179.6-172.4-179.7174.800111.7C302C302-E311 WeakPolarHBondContact CB-O 3.01Å; C302-E311 PolarHBondContact SG-O 3.48Å
312N91.1Very high80.8Confident42 Ų4273 Ų7323%0.22541%0.412CS..THydrogen-bonded Turntrans-106.810.6180-69.9-43000113.8P285 A287 Y300 G310 D314P285-N312 PolarHBondContact O-OD1 3.29Å; A287-N312 WeakPolarHBondContact CB-O 3.24Å; A287-N312 PolarHBondContact N-O 3.32Å; Y300-N312 VanDerWaalsContact CE2-OD1 3.23Å; Y300-N312 WeakPolarHBondContact CE2-OD1 3.18Å; Y300-N312 PolarHBondContact OH-OD1 3.29Å; G310-N312 PolarHBondContact O-N 2.95Å; N312-D314 PolarHBondContact O-N 3.22Å
313C89.9Confident80.1Confident0 Ų080.7 Ų80.70%044%0.444CS..SBendtrans56.831.1-176-48.70000113.7N288 A290 C302 C304 F308 A309 G310N288-C313 PolarHBondContact ND2-O 3.08Å; A290-C313 HydrophobicContact CB-CB 3.7Å; A290-C313 VanDerWaalsContact CB-SG 3.55Å; C302-C313 WeakPolarHBondContact CB-SG 3.5Å; C304-C313 WeakPolarHBondContact CA-SG 3.27Å; C304-C313 HydrophobicContact CB-CB 3.69Å; C304-C313 WeakPolarHBondContact CB-SG 3.5Å; C304-C313 PolarHBondContact N-SG 3.48Å; C304-C313 VanDerWaalsContact N-SG 3.4Å; C304-C313 WeakPolarHBondContact SG-CA 3.42Å; C304-C313 WeakPolarHBondContact SG-CB 3.25Å; C304-C313 CovalentContact SG-SG 2.03Å; C304-C313 PolarHBondContact SG-SG 2.03Å; F308-C313 HydrophobicContact CB-CB 4.39Å; A309-C313 CarbonylContact O-C 3.59Å; A309-C313 VanDerWaalsContact O-CA 3.25Å; A309-C313 WeakPolarHBondContact O-CA 3.03Å; G310-C313 PolarHBondContact O-N 3.1Å
314D89.8Confident79.7Confident94 Ų9479.2 Ų79.250%0.50343%0.429SS..  trans-91.5-9.7-177.759.3-37.1000113.2A287 A309 N312A287-D314 HydrophobicContact CB-CB 4.23Å; A309-D314 PolarHBondContact O-N 3.44Å; N312-D314 PolarHBondContact O-N 3.22Å
315L83.2Confident79.7Confident100 Ų10077.7 Ų77.752%0.52442%0.419SS..EExtended strand (participates in β ladder)trans-97.5125.3178.6-51.2176.7000110.2F308 A309F308-L315 CarbonylContact C-O 3.58Å; F308-L315 WeakPolarHBondContact CA-O 3.23Å; A309-L315 PolarHBondContact N-O 2.8Å; A309-L315 WeakPolarHBondContact O-CA 3.16Å; A309-L315 VanDerWaalsContact O-CB 3.27Å; A309-L315 WeakPolarHBondContact O-CB 3.22Å; A309-L315 PolarHBondContact O-N 3.32Å
316E75.3Confident79.8Confident158 Ų15878.9 Ų78.974%0.73842%0.423SS*.EExtended strand (participates in β ladder)trans-79.6124.5171.4-167.1173.9-170.900109.2G307G307-E316 CarbonylContact O-C 3.5Å; G307-E316 WeakPolarHBondContact O-CA 3.46Å
317V69.6Low80.1Confident50 Ų5076.9 Ų76.930%0.30341%0.405SS..  trans-104.7118.8177.4178.90000108.5G307 A309G307-V317 PolarHBondContact O-N 3.14Å; A309-V317 HydrophobicContact CB-CG2 3.32Å
318R68.7Low80.4Confident149 Ų14978.8 Ų78.856%0.56242%0.424SS*.  trans-80.8142.1168.8-70.3173.544.4156.7-7.8109.9C320 D321 D333R318-C320 PolarHBondContact O-N 3.13Å; R318-C320 VanDerWaalsContact O-N 3.13Å; R318-D321 PolarHBondContact N-OD2 2.97Å; R318-D321 WeakPolarHBondContact O-CB 2.96Å; R318-D321 PolarHBondContact O-N 3.27Å; R318-D333 IonicContact CZ-OD2 3.13Å; R318-D333 IonicContact NE-OD2 3.59Å; R318-D333 PolarHBondContact NE-OD2 3.08Å; R318-D333 VanDerWaalsContact NE-OD2 3.08Å; R318-D333 IonicContact NH2-OD2 3.08Å; R318-D333 PolarHBondContact NH2-OD2 3.1Å
319E71.1Confident80.7Confident81 Ų8176.4 Ų76.438%0.37942%0.418SS..THydrogen-bonded Turntrans-61.1-28.4-170.8-66.285.1168.300113.2D333 Y338E319-D333 PolarHBondContact N-OD1 2.98Å; E319-Y338 HydrophobicContact CB-CD1 3.94Å; E319-Y338 HydrophobicContact CB-CG 4.33Å
320C76.4Confident81Confident21 Ų2183.4 Ų83.414%0.14244%0.437CS..THydrogen-bonded Turntrans-80.5-11.2175.6-74.60000115.8R318 S322 K323 C331 V332 D333R318-C320 PolarHBondContact O-N 3.13Å; R318-C320 VanDerWaalsContact O-N 3.13Å; C320-S322 PolarHBondContact O-N 3.42Å; C320-K323 PolarHBondContact O-N 2.81Å; C320-C331 WeakPolarHBondContact CA-SG 3.28Å; C320-C331 HydrophobicContact CB-CB 3.77Å; C320-C331 WeakPolarHBondContact CB-SG 2.96Å; C320-C331 WeakPolarHBondContact SG-CB 3.19Å; C320-C331 CovalentContact SG-SG 2.05Å; C320-C331 PolarHBondContact SG-SG 2.9Å; C320-V332 PolarHBondContact SG-N 2.98Å; C320-D333 VanDerWaalsContact CB-OD1 3.28Å; C320-D333 WeakPolarHBondContact CB-OD1 3.48Å; C320-D333 PolarHBondContact N-OD1 3.35Å; C320-D333 PolarHBondContact SG-N 3.08Å; C320-D333 VanDerWaalsContact SG-N 3.44Å; C320-D333 PolarHBondContact SG-OD1 3.38Å
321D73Confident81.2Confident108 Ų10883.1 Ų83.158%0.57843%0.429SS*.THydrogen-bonded Turntrans-67-26.8-179.8-69.3-27.8000111.9R318 K323R318-D321 PolarHBondContact N-OD2 2.97Å; R318-D321 WeakPolarHBondContact O-CB 2.96Å; R318-D321 PolarHBondContact O-N 3.27Å; D321-K323 PolarHBondContact O-N 3.06Å
322S68.9Low81.1Confident92 Ų9278.7 Ų78.764%0.64341%0.412SS*.THydrogen-bonded Turntrans-73.7-4.4175.1-39.30000113.8C320C320-S322 PolarHBondContact O-N 3.42Å
323K78.3Confident80.3Confident177 Ų17779.1 Ų79.177%0.7741%0.414SS*.  trans48.458.8-174.4-59.5177.5-176.41740113.2C320 D321 C325C320-K323 PolarHBondContact O-N 2.81Å; D321-K323 PolarHBondContact O-N 3.06Å; K323-C325 PolarHBondContact O-N 3.39Å
324P81.9Confident79.4Confident19 Ų1982.1 Ų82.112%0.12344%0.435CS..  trans-73-9.6-172.530.7-37.3000115Y338P324-Y338 HydrophobicContact CB-CD2 4.01Å; P324-Y338 HydrophobicContact CB-CE1 4.3Å; P324-Y338 HydrophobicContact CB-CE2 3.37Å; P324-Y338 HydrophobicContact CG-CD1 4.36Å; P324-Y338 HydrophobicContact CG-CD2 3.42Å; P324-Y338 VanDerWaalsContact CG-CD2 3.42Å; P324-Y338 HydrophobicContact CG-CE1 4.3Å; P324-Y338 HydrophobicContact CG-CE2 3.35Å; P324-Y338 HydrophobicContact CG-CG 3.93Å
325C87.6Confident78.1Confident18 Ų1887.4 Ų87.412%0.12246%0.457CS..  trans-90.7125.7-178.5-50.60000111.5K323 G329 C331 C340K323-C325 PolarHBondContact O-N 3.39Å; C325-G329 WeakPolarHBondContact CB-O 3.29Å; C325-C331 WeakPolarHBondContact SG-CA 3.18Å; C325-C331 WeakPolarHBondContact SG-CB 3.16Å; C325-C340 WeakPolarHBondContact CA-SG 3.39Å; C325-C340 HydrophobicContact CB-CB 3.76Å; C325-C340 WeakPolarHBondContact CB-SG 3.49Å; C325-C340 WeakPolarHBondContact SG-CA 3.41Å; C325-C340 WeakPolarHBondContact SG-CB 2.97Å; C325-C340 CovalentContact SG-SG 2.03Å; C325-C340 PolarHBondContact SG-SG 2.87Å
326H85.1Confident76.9Confident110 Ų11089.1 Ų89.151%0.50947%0.472SS..  trans-88.1171.4178.2-65.8-72.5000112.4G328 G329 H350H326-G328 PolarHBondContact O-N 3.28Å; H326-G329 PolarHBondContact O-N 3.06Å; H326-H350 WeakPolarHBondContact CB-O 3.39Å; H326-H350 PolarHBondContact N-O 2.95Å
327N83.9Confident76.8Confident85 Ų8582.3 Ų82.346%0.45544%0.444SS..THydrogen-bonded Turntrans5330.3174.1-60-45.2000115.4P343 F346 C351N327-P343 VanDerWaalsContact O-CG 3.25Å; N327-P343 WeakPolarHBondContact O-CG 3.06Å; N327-F346 HydrophobicContact CB-CD1 3.8Å; N327-F346 HydrophobicContact CB-CD2 4.38Å; N327-F346 HydrophobicContact CB-CE1 3.77Å; N327-F346 HydrophobicContact CB-CE2 4.36Å; N327-F346 HydrophobicContact CB-CG 4.1Å; N327-F346 HydrophobicContact CB-CZ 4.06Å; N327-F346 VanDerWaalsContact CG-CE1 3.49Å; N327-F346 WeakPolarHBondContact ND2-CD1 3.45Å; N327-F346 WeakPolarHBondContact ND2-CE1 3.42Å; N327-C351 PolarHBondContact ND2-O 3.13Å
328G81.8Confident77.3Confident71 Ų7184.3 Ų84.373%0.73245%0.447SS*.THydrogen-bonded Turntrans79.317-179.500000114.4H326H326-G328 PolarHBondContact O-N 3.28Å
329G87.5Confident78Confident14 Ų1480.4 Ų80.414%0.14444%0.442CS..PPolyproline II helixtrans-60140.3171.400000112.7C325 H326 T341C325-G329 WeakPolarHBondContact CB-O 3.29Å; H326-G329 PolarHBondContact O-N 3.06Å; G329-T341 WeakPolarHBondContact CA-O 3.45Å
330R88.3Confident78.8Confident181 Ų18177.3 Ų77.368%0.68343%0.43SS*.EExtended strand (participates in β ladder)trans-87.9118.8175.6177.1178.8161.283.73.5109.6T341R330-T341 PolarHBondContact N-O 2.83Å; R330-T341 PolarHBondContact O-N 3.45Å; R330-T341 PolarHBondContact O-OG1 3.24Å
331C87.1Confident79.4Confident28 Ų2880.1 Ų80.119%0.18945%0.446CS..EExtended strand (participates in β ladder)trans-79138.9174.3-167.40000111.4C320 C325C320-C331 WeakPolarHBondContact CA-SG 3.28Å; C320-C331 HydrophobicContact CB-CB 3.77Å; C320-C331 WeakPolarHBondContact CB-SG 2.96Å; C320-C331 WeakPolarHBondContact SG-CB 3.19Å; C320-C331 CovalentContact SG-SG 2.05Å; C320-C331 PolarHBondContact SG-SG 2.9Å; C325-C331 WeakPolarHBondContact SG-CA 3.18Å; C325-C331 WeakPolarHBondContact SG-CB 3.16Å
332V84Confident80Confident54 Ų5477.2 Ų77.233%0.32743%0.433SS..EExtended strand (participates in β ladder)trans-132.9129.6169.7-79.90000109.9C320 Y338 S339C320-V332 PolarHBondContact SG-N 2.98Å; V332-Y338 WeakPolarHBondContact O-CA 3.01Å; V332-S339 WeakPolarHBondContact CG2-O 3.41Å; V332-S339 PolarHBondContact N-O 2.76Å; V332-S339 PolarHBondContact O-N 2.62Å
333D75.6Confident80.6Confident52 Ų5275.1 Ų75.128%0.27842%0.418SS..EExtended strand (participates in β ladder)trans-69.1143.4174.2-57.7-56.2000109.7R318 E319 C320R318-D333 IonicContact CZ-OD2 3.13Å; R318-D333 IonicContact NE-OD2 3.59Å; R318-D333 PolarHBondContact NE-OD2 3.08Å; R318-D333 VanDerWaalsContact NE-OD2 3.08Å; R318-D333 IonicContact NH2-OD2 3.08Å; R318-D333 PolarHBondContact NH2-OD2 3.1Å; E319-D333 PolarHBondContact N-OD1 2.98Å; C320-D333 VanDerWaalsContact CB-OD1 3.28Å; C320-D333 WeakPolarHBondContact CB-OD1 3.48Å; C320-D333 PolarHBondContact N-OD1 3.35Å; C320-D333 PolarHBondContact SG-N 3.08Å; C320-D333 VanDerWaalsContact SG-N 3.44Å; C320-D333 PolarHBondContact SG-OD1 3.38Å
334S70.9Confident80.7Confident63 Ų6372.7 Ų72.744%0.44141%0.413SS..EExtended strand (participates in β ladder)trans-140.5162.4-174.7-169.30000110.6T336 G337S334-T336 PolarHBondContact O-N 3.18Å; S334-G337 PolarHBondContact N-O 3.4Å; S334-G337 CarbonylContact O-C 3.21Å; S334-G337 PolarHBondContact O-N 2.96Å
335E63.2Low80.3Confident204 Ų20473.4 Ų73.495%0.95342%0.424SS*.THydrogen-bonded Turntrans-62.7-16.4179.5-67.6-178.317600113.5
336T58Low80.1Confident137 Ų13775.6 Ų75.684%0.8443%0.432SS*.THydrogen-bonded Turntrans-107.317.9175.462.80000113.3S334S334-T336 PolarHBondContact O-N 3.18Å
337G72Confident79.9Confident15 Ų1575.1 Ų75.116%0.15543%0.43CS..EExtended strand (participates in β ladder)trans118.5-106.7-179.800000112.4S334S334-G337 PolarHBondContact N-O 3.4Å; S334-G337 CarbonylContact O-C 3.21Å; S334-G337 PolarHBondContact O-N 2.96Å
338Y79.7Confident79.9Confident92 Ų9272.5 Ų72.536%0.36142%0.423SS..EExtended strand (participates in β ladder)trans-138.6157.3178.466.4-85.4000112.4E319 P324 V332 H350E319-Y338 HydrophobicContact CB-CD1 3.94Å; E319-Y338 HydrophobicContact CB-CG 4.33Å; P324-Y338 HydrophobicContact CB-CD2 4.01Å; P324-Y338 HydrophobicContact CB-CE1 4.3Å; P324-Y338 HydrophobicContact CB-CE2 3.37Å; P324-Y338 HydrophobicContact CG-CD1 4.36Å; P324-Y338 HydrophobicContact CG-CD2 3.42Å; P324-Y338 VanDerWaalsContact CG-CD2 3.42Å; P324-Y338 HydrophobicContact CG-CE1 4.3Å; P324-Y338 HydrophobicContact CG-CE2 3.35Å; P324-Y338 HydrophobicContact CG-CG 3.93Å; V332-Y338 WeakPolarHBondContact O-CA 3.01Å; Y338-H350 AromaticContact CE2-CE1 3.63Å; Y338-H350 AromaticContact CE2-ND1 3.63Å; Y338-H350 AromaticContact CZ-CE1 3.62Å; Y338-H350 AromaticContact CZ-ND1 3.98Å; Y338-H350 PolarHBondContact OH-CE1 2.02Å; Y338-H350 PolarHBondContact OH-ND1 3.41Å
339S83.8Confident79.9Confident66 Ų6673.3 Ų73.346%0.46242%0.415SS..EExtended strand (participates in β ladder)trans-131.9137.3173.7-179.20000110.8V332V332-S339 WeakPolarHBondContact CG2-O 3.41Å; V332-S339 PolarHBondContact N-O 2.76Å; V332-S339 PolarHBondContact O-N 2.62Å
340C88.2Confident79.9Confident17 Ų1775.4 Ų75.412%0.11542%0.421CS..EExtended strand (participates in β ladder)trans-96.9131.8176.2-65.20000111.3C325 P349C325-C340 WeakPolarHBondContact CA-SG 3.39Å; C325-C340 HydrophobicContact CB-CB 3.76Å; C325-C340 WeakPolarHBondContact CB-SG 3.49Å; C325-C340 WeakPolarHBondContact SG-CA 3.41Å; C325-C340 WeakPolarHBondContact SG-CB 2.97Å; C325-C340 CovalentContact SG-SG 2.03Å; C325-C340 PolarHBondContact SG-SG 2.87Å; C340-P349 VanDerWaalsContact CB-O 3.3Å; C340-P349 WeakPolarHBondContact CB-O 3.44Å; C340-P349 PolarHBondContact SG-O 3.31Å
341T88.4Confident79.9Confident80 Ų8066.8 Ų66.849%0.49139%0.389SS..EExtended strand (participates in β ladder)trans-99.5108.8173.7-22.30000108.3G329 R330G329-T341 WeakPolarHBondContact CA-O 3.45Å; R330-T341 PolarHBondContact N-O 2.83Å; R330-T341 PolarHBondContact O-N 3.45Å; R330-T341 PolarHBondContact O-OG1 3.24Å
342C86.1Confident79.9Confident46 Ų4668.5 Ų68.531%0.31139%0.394SS..PPolyproline II helixtrans-83.6138.3-169.6-55.30000113.5F346 G348 C351C342-F346 WeakPolarHBondContact CB-O 3.37Å; C342-G348 PolarHBondContact SG-O 2.05Å; C342-C351 WeakPolarHBondContact CA-SG 3.22Å; C342-C351 HydrophobicContact CB-CB 3.66Å; C342-C351 WeakPolarHBondContact CB-SG 3.43Å; C342-C351 WeakPolarHBondContact SG-CA 3.19Å; C342-C351 WeakPolarHBondContact SG-CB 3.28Å; C342-C351 CovalentContact SG-SG 2.04Å; C342-C351 PolarHBondContact SG-SG 2.84Å
343P82.3Confident79.7Confident49 Ų4970.8 Ų70.832%0.31840%0.401SS..PPolyproline II helixtrans-71.1161.9172.727.3-28.9000111.2N327 G345 F346N327-P343 VanDerWaalsContact O-CG 3.25Å; N327-P343 WeakPolarHBondContact O-CG 3.06Å; P343-G345 PolarHBondContact O-N 3.44Å; P343-F346 HydrophobicContact CG-CD2 4.25Å; P343-F346 PolarHBondContact O-N 2.85Å
344N78.9Confident79.7Confident126 Ų12675.4 Ų75.467%0.67441%0.414SS*.THydrogen-bonded Turntrans-53.3131.5-176.4-67.7-58.1000112.1R376N344-R376 PolarHBondContact OD1-NH2 2.83Å
345G74.6Confident80Confident34 Ų3474.4 Ų74.435%0.35140%0.404SS..THydrogen-bonded Turntrans894.6178.200000114.7P343 R354 I355P343-G345 PolarHBondContact O-N 3.44Å; G345-R354 CarbonylContact O-C 3.57Å; G345-R354 WeakPolarHBondContact O-CA 3.07Å; G345-I355 PolarHBondContact O-N 2.87Å
346F82.6Confident80.4Confident63 Ų6367 Ų6728%0.27637%0.373SS..EExtended strand (participates in β ladder)trans-124.5145.5173.9-64-91000111.6N327 C342 P343 C351 H353 R354N327-F346 HydrophobicContact CB-CD1 3.8Å; N327-F346 HydrophobicContact CB-CD2 4.38Å; N327-F346 HydrophobicContact CB-CE1 3.77Å; N327-F346 HydrophobicContact CB-CE2 4.36Å; N327-F346 HydrophobicContact CB-CG 4.1Å; N327-F346 HydrophobicContact CB-CZ 4.06Å; N327-F346 VanDerWaalsContact CG-CE1 3.49Å; N327-F346 WeakPolarHBondContact ND2-CD1 3.45Å; N327-F346 WeakPolarHBondContact ND2-CE1 3.42Å; C342-F346 WeakPolarHBondContact CB-O 3.37Å; P343-F346 HydrophobicContact CG-CD2 4.25Å; P343-F346 PolarHBondContact O-N 2.85Å; F346-C351 HydrophobicContact CB-CB 4.45Å; F346-H353 CarbonylContact C-O 3.34Å; F346-H353 WeakPolarHBondContact CA-O 3.4Å; F346-R354 HydrophobicContact CD1-CB 4.33Å; F346-R354 HydrophobicContact CE1-CB 4.18Å
347E82.3Confident81.3Confident100 Ų10062 Ų6247%0.46734%0.343SS..EExtended strand (participates in β ladder)trans-138.7173.1177.969.2178.9-177.300110.9C351 E352 H353 I355E347-C351 CarbonylContact O-C 3.49Å; E347-E352 PolarHBondContact O-N 2.94Å; E347-H353 HydrophobicContact CG-CB 3.93Å; E347-H353 PolarHBondContact N-O 3.31Å; E347-H353 WeakPolarHBondContact O-CB 3.42Å; E347-H353 PolarHBondContact O-N 3.21Å; E347-I355 HydrophobicContact CB-CD1 4.21Å; E347-I355 HydrophobicContact CB-CG1 3.95Å; E347-I355 HydrophobicContact CG-CG1 3.86Å
348G83.2Confident81.6Confident30 Ų3062.5 Ų62.531%0.30934%0.343SS..SBendtrans104160.1-175.400000113.1C342 H350 C351C342-G348 PolarHBondContact SG-O 2.05Å; G348-H350 PolarHBondContact O-N 2.98Å; G348-C351 PolarHBondContact O-N 3.13Å; G348-C351 VanDerWaalsContact O-N 3.15Å
349P82.5Confident81.5Confident89 Ų8961.9 Ų61.958%0.57836%0.357SS*.THydrogen-bonded Turntrans-61.4-23.4-17824.8-35.1000113.9C340 E352C340-P349 VanDerWaalsContact CB-O 3.3Å; C340-P349 WeakPolarHBondContact CB-O 3.44Å; C340-P349 PolarHBondContact SG-O 3.31Å; P349-E352 WeakPolarHBondContact CD-OE1 3.26Å
350H85.8Confident81.2Confident57 Ų5762.6 Ų62.626%0.26436%0.356SS..THydrogen-bonded Turntrans-117.413.6176.9-52.3-63.5000112.5H326 Y338 G348 E352H326-H350 WeakPolarHBondContact CB-O 3.39Å; H326-H350 PolarHBondContact N-O 2.95Å; Y338-H350 AromaticContact CE2-CE1 3.63Å; Y338-H350 AromaticContact CE2-ND1 3.63Å; Y338-H350 AromaticContact CZ-CE1 3.62Å; Y338-H350 AromaticContact CZ-ND1 3.98Å; Y338-H350 PolarHBondContact OH-CE1 2.02Å; Y338-H350 PolarHBondContact OH-ND1 3.41Å; G348-H350 PolarHBondContact O-N 2.98Å; H350-E352 WeakPolarHBondContact CA-OE2 3.37Å; H350-E352 WeakPolarHBondContact CB-OE2 3.23Å; H350-E352 PolarHBondContact N-OE2 2.88Å; H350-E352 PolarHBondContact O-N 2.98Å
351C88.6Confident81Confident0 Ų071.8 Ų71.80%039%0.388CS..SBendtrans58.630.5-175.7-44.90000113.5N327 C342 F346 E347 G348N327-C351 PolarHBondContact ND2-O 3.13Å; C342-C351 WeakPolarHBondContact CA-SG 3.22Å; C342-C351 HydrophobicContact CB-CB 3.66Å; C342-C351 WeakPolarHBondContact CB-SG 3.43Å; C342-C351 WeakPolarHBondContact SG-CA 3.19Å; C342-C351 WeakPolarHBondContact SG-CB 3.28Å; C342-C351 CovalentContact SG-SG 2.04Å; C342-C351 PolarHBondContact SG-SG 2.84Å; F346-C351 HydrophobicContact CB-CB 4.45Å; E347-C351 CarbonylContact O-C 3.49Å; G348-C351 PolarHBondContact O-N 3.13Å; G348-C351 VanDerWaalsContact O-N 3.15Å
352E86.6Confident80.8Confident65 Ų6568.6 Ų68.630%0.30437%0.369SS..  trans-81.5-25.7-172.568.8-85.2-154.800113.1E347 P349 H350E347-E352 PolarHBondContact O-N 2.94Å; P349-E352 WeakPolarHBondContact CD-OE1 3.26Å; H350-E352 WeakPolarHBondContact CA-OE2 3.37Å; H350-E352 WeakPolarHBondContact CB-OE2 3.23Å; H350-E352 PolarHBondContact N-OE2 2.88Å; H350-E352 PolarHBondContact O-N 2.98Å
353H80.1Confident80.9Confident102 Ų10267.2 Ų67.247%0.47236%0.36SS..EExtended strand (participates in β ladder)trans-97135.1-176-58144.7000111.1F346 E347F346-H353 CarbonylContact C-O 3.34Å; F346-H353 WeakPolarHBondContact CA-O 3.4Å; E347-H353 HydrophobicContact CG-CB 3.93Å; E347-H353 PolarHBondContact N-O 3.31Å; E347-H353 WeakPolarHBondContact O-CB 3.42Å; E347-H353 PolarHBondContact O-N 3.21Å
354R77.3Confident81.1Confident149 Ų14969.9 Ų69.956%0.56237%0.366SS*.EExtended strand (participates in β ladder)trans-86.5129.6170.5-176.3-179.2178.7-101.91109.1G345 F346 P356 D360G345-R354 CarbonylContact O-C 3.57Å; G345-R354 WeakPolarHBondContact O-CA 3.07Å; F346-R354 HydrophobicContact CD1-CB 4.33Å; F346-R354 HydrophobicContact CE1-CB 4.18Å; R354-P356 WeakPolarHBondContact O-CD 3.03Å; R354-D360 IonicContact NH1-OD1 2.84Å; R354-D360 IonicContact NH1-OD2 3.97Å; R354-D360 PolarHBondContact NH1-OD2 2.95Å; R354-D360 VanDerWaalsContact NH1-OD2 3.13Å
355I76.1Confident81.5Confident42 Ų4268.7 Ų68.722%0.21536%0.357CS..PPolyproline II helixtrans-69.2121.1176-58.9172.9000108.3G345 E347G345-I355 PolarHBondContact O-N 2.87Å; E347-I355 HydrophobicContact CB-CD1 4.21Å; E347-I355 HydrophobicContact CB-CG1 3.95Å; E347-I355 HydrophobicContact CG-CG1 3.86Å
356P70.8Confident81.7Confident48 Ų4870.7 Ų70.731%0.31238%0.377SS..PPolyproline II helixtrans-70.1144.2-179.715.2-14000111.8R354 D360 Y378R354-P356 WeakPolarHBondContact O-CD 3.03Å; P356-D360 WeakPolarHBondContact CA-OD2 3.43Å; P356-D360 HydrophobicContact CB-CB 4.38Å; P356-Y378 HydrophobicContact CB-CE1 4.47Å; P356-Y378 HydrophobicContact CG-CE1 4.09Å; P356-Y378 WeakPolarHBondContact O-CD1 3.25Å
357T77.4Confident81.9Confident33 Ų3368.3 Ų68.320%0.20237%0.371CS..  trans-111.8173.7176.368.90000111.3A359 D360 P362T357-A359 PolarHBondContact O-N 2.86Å; T357-A359 VanDerWaalsContact O-N 3.13Å; T357-D360 PolarHBondContact N-OD2 3.25Å; T357-D360 WeakPolarHBondContact O-CB 3.39Å; T357-D360 PolarHBondContact O-N 3.34Å; T357-P362 WeakPolarHBondContact O-CD 2.98Å
358C77.8Confident82.2Confident25 Ų2570.2 Ų70.217%0.16938%0.377CS..G310 helixtrans-63.3-19.2177.7-78.30000113.4D360 R361 C369 K370 E371C358-D360 PolarHBondContact O-N 3.35Å; C358-R361 PolarHBondContact O-N 3.2Å; C358-R361 VanDerWaalsContact O-N 3.16Å; C358-C369 WeakPolarHBondContact CA-SG 3.29Å; C358-C369 HydrophobicContact CB-CB 3.88Å; C358-C369 WeakPolarHBondContact CB-SG 3.34Å; C358-C369 VanDerWaalsContact SG-C 3.54Å; C358-C369 WeakPolarHBondContact SG-CB 3.43Å; C358-C369 CovalentContact SG-SG 2.05Å; C358-C369 PolarHBondContact SG-SG 3.21Å; C358-K370 PolarHBondContact SG-N 3.26Å; C358-E371 HydrophobicContact CB-CG 3.71Å
359A77.9Confident82.5Confident79 Ų7970.6 Ų70.665%0.65338%0.375SS*.G310 helixtrans-62-30.617100000112.3T357 R361T357-A359 PolarHBondContact O-N 2.86Å; T357-A359 VanDerWaalsContact O-N 3.13Å; A359-R361 PolarHBondContact O-N 2.79Å
360D78.8Confident82.6Confident81 Ų8170.7 Ų70.743%0.43337%0.366SS..G310 helixtrans-80.20.7179.4-56.2-45.2000112.4R354 P356 T357 C358R354-D360 IonicContact NH1-OD1 2.84Å; R354-D360 IonicContact NH1-OD2 3.97Å; R354-D360 PolarHBondContact NH1-OD2 2.95Å; R354-D360 VanDerWaalsContact NH1-OD2 3.13Å; P356-D360 WeakPolarHBondContact CA-OD2 3.43Å; P356-D360 HydrophobicContact CB-CB 4.38Å; T357-D360 PolarHBondContact N-OD2 3.25Å; T357-D360 WeakPolarHBondContact O-CB 3.39Å; T357-D360 PolarHBondContact O-N 3.34Å; C358-D360 PolarHBondContact O-N 3.35Å
361R82.6Confident82.4Confident209 Ų20973.4 Ų73.479%0.78938%0.379SS*.  trans51.256.6179.2-56.9172.964.1107.50.9113.5C358 A359 C363C358-R361 PolarHBondContact O-N 3.2Å; C358-R361 VanDerWaalsContact O-N 3.16Å; A359-R361 PolarHBondContact O-N 2.79Å; R361-C363 VanDerWaalsContact C-N 3.27Å; R361-C363 PolarHBondContact O-N 3.45Å
362P85Confident81.6Confident14 Ų1477.7 Ų77.79%0.09140%0.399CS..  trans-71.6-17-173.229.9-36.4000114.2T357 Y378 N390T357-P362 WeakPolarHBondContact O-CD 2.98Å; P362-Y378 HydrophobicContact CB-CD2 4.01Å; P362-Y378 HydrophobicContact CB-CE1 4.09Å; P362-Y378 HydrophobicContact CB-CE2 3.43Å; P362-Y378 VanDerWaalsContact CB-CE2 3.43Å; P362-Y378 VanDerWaalsContact CB-CZ 3.48Å; P362-Y378 HydrophobicContact CG-CD1 4.1Å; P362-Y378 HydrophobicContact CG-CD2 3.37Å; P362-Y378 HydrophobicContact CG-CE1 4.11Å; P362-Y378 HydrophobicContact CG-CE2 3.37Å; P362-Y378 HydrophobicContact CG-CG 3.76Å; P362-N390 WeakPolarHBondContact O-CB 3.46Å
363C88.6Confident80.8Confident17 Ų1779.6 Ų79.612%0.11541%0.411CS..  trans-86.1118.2-178.8-48.50000112.1R361 G367 C369 C380R361-C363 VanDerWaalsContact C-N 3.27Å; R361-C363 PolarHBondContact O-N 3.45Å; C363-G367 WeakPolarHBondContact CB-O 3.46Å; C363-C369 HydrophobicContact CB-CB 4.47Å; C363-C369 WeakPolarHBondContact SG-CA 3.34Å; C363-C369 WeakPolarHBondContact SG-CB 3.44Å; C363-C380 WeakPolarHBondContact CA-SG 3.45Å; C363-C380 HydrophobicContact CB-CB 3.7Å; C363-C380 WeakPolarHBondContact CB-SG 3.49Å; C363-C380 WeakPolarHBondContact SG-CA 3.38Å; C363-C380 WeakPolarHBondContact SG-CB 3.34Å; C363-C380 CovalentContact SG-SG 2.02Å; C363-C380 PolarHBondContact SG-SG 3.26Å
364F86.6Confident80Confident104 Ų10483.2 Ų83.246%0.45643%0.434SS..  trans-83.4169.6-178.2-60.3-72.6000113.2G366 G367 N390 E392F364-G366 PolarHBondContact O-N 3.43Å; F364-G367 PolarHBondContact O-N 2.94Å; F364-N390 WeakPolarHBondContact CB-O 3.46Å; F364-N390 HydrophobicContact CD2-CB 3.72Å; F364-N390 WeakPolarHBondContact CD2-O 3.41Å; F364-N390 HydrophobicContact CE2-CB 3.94Å; F364-N390 PolarHBondContact N-O 3.46Å; F364-E392 HydrophobicContact CD2-CB 4.07Å
365Q85.4Confident79.4Confident101 Ų10177.3 Ų77.347%0.47242%0.42SS..THydrogen-bonded Turntrans51.329176.8-69.27440.900115.1P383 Y386 C391Q365-P383 WeakPolarHBondContact O-CG 3.31Å; Q365-Y386 HydrophobicContact CB-CD1 4.31Å; Q365-Y386 HydrophobicContact CB-CE1 4.29Å; Q365-Y386 HydrophobicContact CB-CE2 4.48Å; Q365-Y386 HydrophobicContact CB-CG 4.44Å; Q365-Y386 HydrophobicContact CG-CD1 4.11Å; Q365-Y386 HydrophobicContact CG-CE1 3.75Å; Q365-C391 PolarHBondContact OE1-O 3.43Å
366G80.4Confident78.9Confident76 Ų7683 Ų8378%0.78444%0.439SS*.THydrogen-bonded Turntrans80.317.3179.400000114.3F364F364-G366 PolarHBondContact O-N 3.43Å
367G86.9Confident78.9Confident13 Ų1382.2 Ų82.213%0.13443%0.434CS..PPolyproline II helixtrans-59144.7170.500000112.4C363 F364 E381C363-G367 WeakPolarHBondContact CB-O 3.46Å; F364-G367 PolarHBondContact O-N 2.94Å; G367-E381 CarbonylContact C-O 3.58Å; G367-E381 VanDerWaalsContact CA-O 3.3Å; G367-E381 WeakPolarHBondContact CA-O 3.25Å
368K88.6Confident79.2Confident141 Ų14182.9 Ų82.961%0.61343%0.433SS*.EExtended strand (participates in β ladder)trans-88.6116.3-177.6-163.7178.9-177-1800109.5E381K368-E381 HydrophobicContact CB-CB 4.28Å; K368-E381 PolarHBondContact N-O 3.34Å; K368-E381 PolarHBondContact O-N 3.2Å
369C88Confident79.5Confident37 Ų3785.5 Ų85.525%0.2545%0.445CS..EExtended strand (participates in β ladder)trans-81.3136.2177.3-163.70000111.2C358 C363C358-C369 WeakPolarHBondContact CA-SG 3.29Å; C358-C369 HydrophobicContact CB-CB 3.88Å; C358-C369 WeakPolarHBondContact CB-SG 3.34Å; C358-C369 VanDerWaalsContact SG-C 3.54Å; C358-C369 WeakPolarHBondContact SG-CB 3.43Å; C358-C369 CovalentContact SG-SG 2.05Å; C358-C369 PolarHBondContact SG-SG 3.21Å; C363-C369 HydrophobicContact CB-CB 4.47Å; C363-C369 WeakPolarHBondContact SG-CA 3.34Å; C363-C369 WeakPolarHBondContact SG-CB 3.44Å
370K84.5Confident80.1Confident92 Ų9282.5 Ų82.540%0.442%0.419SS..EExtended strand (participates in β ladder)trans-126.5132.5169.2-69.1179.8177.2173.90109.6C358 Y378 I379 E381C358-K370 PolarHBondContact SG-N 3.26Å; K370-Y378 CarbonylContact O-C 3.38Å; K370-Y378 WeakPolarHBondContact O-CA 3.36Å; K370-I379 HydrophobicContact CB-CG2 3.9Å; K370-I379 PolarHBondContact N-O 3Å; K370-I379 PolarHBondContact O-N 3.07Å; K370-E381 VanDerWaalsContact CE-CD 3.5Å; K370-E381 VanDerWaalsContact CE-OE1 3.3Å; K370-E381 WeakPolarHBondContact CE-OE1 3.29Å; K370-E381 VanDerWaalsContact CE-OE2 3.29Å; K370-E381 WeakPolarHBondContact CE-OE2 3.17Å; K370-E381 VanDerWaalsContact NZ-CD 3.29Å; K370-E381 IonicContact NZ-OE1 2.64Å; K370-E381 PolarHBondContact NZ-OE1 3.48Å; K370-E381 IonicContact NZ-OE2 3.31Å; K370-E381 PolarHBondContact NZ-OE2 3.19Å
371E81.9Confident80.6Confident113 Ų11383 Ų8353%0.52842%0.418SS..EExtended strand (participates in β ladder)trans-74.8142.9172.2-64.7-169.6164.100110.2C358C358-E371 HydrophobicContact CB-CG 3.71Å
372Q71.8Confident80.8Confident91 Ų9175.2 Ų75.243%0.42540%0.396SS..EExtended strand (participates in β ladder)trans-129.9158179.9-174.9166.85.600108.8N374 G375 R376 S377Q372-N374 PolarHBondContact O-N 3Å; Q372-G375 PolarHBondContact O-N 3.44Å; Q372-G375 VanDerWaalsContact O-N 3.13Å; Q372-R376 PolarHBondContact O-N 3.19Å; Q372-S377 VanDerWaalsContact C-OG 3.3Å; Q372-S377 VanDerWaalsContact CB-OG 3.28Å; Q372-S377 WeakPolarHBondContact CB-OG 3.39Å; Q372-S377 PolarHBondContact N-O 3.21Å; Q372-S377 PolarHBondContact O-N 2.03Å; Q372-S377 VanDerWaalsContact O-N 3.12Å; Q372-S377 VanDerWaalsContact O-O 3.09Å; Q372-S377 PolarHBondContact O-OG 3.26Å
373D69.6Low80.7Confident104 Ų10476.7 Ų76.756%0.55641%0.406SS*.G310 helixtrans52.447.5-180-52.7-42.3000115.2G375 R376 S377D373-G375 VanDerWaalsContact C-N 3.3Å; D373-G375 PolarHBondContact O-N 3.49Å; D373-R376 HydrophobicContact CB-CB 4.07Å; D373-R376 VanDerWaalsContact O-CB 3.25Å; D373-R376 WeakPolarHBondContact O-CB 3.4Å; D373-R376 WeakPolarHBondContact O-CG 3.25Å; D373-R376 PolarHBondContact O-N 2.92Å; D373-S377 PolarHBondContact OD2-OG 3.43Å
374N64.9Low80.3Confident178 Ų17881.1 Ų81.195%0.95244%0.443SS*.G310 helixtrans55.838.9-177.5-66.6-7.7000113.7Q372Q372-N374 PolarHBondContact O-N 3Å
375G63Low79.8Confident26 Ų2677.9 Ų77.927%0.26844%0.439SS..G310 helixtrans83.412.7178.900000113.9Q372 D373Q372-G375 PolarHBondContact O-N 3.44Å; Q372-G375 VanDerWaalsContact O-N 3.13Å; D373-G375 VanDerWaalsContact C-N 3.3Å; D373-G375 PolarHBondContact O-N 3.49Å
376R65.3Low79.7Confident161 Ų16177.2 Ų77.261%0.60843%0.433SS*.THydrogen-bonded Turntrans-89.3-12.2175-66.9176.1159.4174.1-7.4113.4N344 Q372 D373N344-R376 PolarHBondContact OD1-NH2 2.83Å; Q372-R376 PolarHBondContact O-N 3.19Å; D373-R376 HydrophobicContact CB-CB 4.07Å; D373-R376 VanDerWaalsContact O-CB 3.25Å; D373-R376 WeakPolarHBondContact O-CB 3.4Å; D373-R376 WeakPolarHBondContact O-CG 3.25Å; D373-R376 PolarHBondContact O-N 2.92Å
377S71.8Confident79.7Confident32 Ų3277.2 Ų77.222%0.22442%0.418CS..EExtended strand (participates in β ladder)trans-148.5166.7175.862.40000110.2Q372 D373Q372-S377 VanDerWaalsContact C-OG 3.3Å; Q372-S377 VanDerWaalsContact CB-OG 3.28Å; Q372-S377 WeakPolarHBondContact CB-OG 3.39Å; Q372-S377 PolarHBondContact N-O 3.21Å; Q372-S377 PolarHBondContact O-N 2.03Å; Q372-S377 VanDerWaalsContact O-N 3.12Å; Q372-S377 VanDerWaalsContact O-O 3.09Å; Q372-S377 PolarHBondContact O-OG 3.26Å; D373-S377 PolarHBondContact OD2-OG 3.43Å
378Y83.6Confident79.5Confident46 Ų4677.9 Ų77.918%0.1842%0.424CS..EExtended strand (participates in β ladder)trans-134.4156.4173.672.3-87.1000110.5P356 P362 K370 N390P356-Y378 HydrophobicContact CB-CE1 4.47Å; P356-Y378 HydrophobicContact CG-CE1 4.09Å; P356-Y378 WeakPolarHBondContact O-CD1 3.25Å; P362-Y378 HydrophobicContact CB-CD2 4.01Å; P362-Y378 HydrophobicContact CB-CE1 4.09Å; P362-Y378 HydrophobicContact CB-CE2 3.43Å; P362-Y378 VanDerWaalsContact CB-CE2 3.43Å; P362-Y378 VanDerWaalsContact CB-CZ 3.48Å; P362-Y378 HydrophobicContact CG-CD1 4.1Å; P362-Y378 HydrophobicContact CG-CD2 3.37Å; P362-Y378 HydrophobicContact CG-CE1 4.11Å; P362-Y378 HydrophobicContact CG-CE2 3.37Å; P362-Y378 HydrophobicContact CG-CG 3.76Å; K370-Y378 CarbonylContact O-C 3.38Å; K370-Y378 WeakPolarHBondContact O-CA 3.36Å; Y378-N390 VanDerWaalsContact CE2-OD1 3.25Å; Y378-N390 WeakPolarHBondContact CE2-OD1 3.21Å; Y378-N390 PolarHBondContact OH-ND2 3.33Å; Y378-N390 PolarHBondContact OH-OD1 2.96Å
379I85.3Confident79.2Confident81 Ų8177.2 Ų77.242%0.41543%0.427SS..EExtended strand (participates in β ladder)trans-133139.6172.8-167.9167.7000110.3K370K370-I379 HydrophobicContact CB-CG2 3.9Å; K370-I379 PolarHBondContact N-O 3Å; K370-I379 PolarHBondContact O-N 3.07Å
380C88.5Confident79.2Confident15 Ų1577 Ų7710%0.10142%0.423CS..EExtended strand (participates in β ladder)trans-104.2125.6179.1-63.80000111.9C363 L389C363-C380 WeakPolarHBondContact CA-SG 3.45Å; C363-C380 HydrophobicContact CB-CB 3.7Å; C363-C380 WeakPolarHBondContact CB-SG 3.49Å; C363-C380 WeakPolarHBondContact SG-CA 3.38Å; C363-C380 WeakPolarHBondContact SG-CB 3.34Å; C363-C380 CovalentContact SG-SG 2.02Å; C363-C380 PolarHBondContact SG-SG 3.26Å; C380-L389 WeakPolarHBondContact CB-O 3.44Å
381E89.4Confident79.4Confident91 Ų9172.6 Ų72.643%0.42540%0.404SS..EExtended strand (participates in β ladder)trans-91.5110.9169.5-64.1-178.5154.900109.6G367 K368 K370G367-E381 CarbonylContact C-O 3.58Å; G367-E381 VanDerWaalsContact CA-O 3.3Å; G367-E381 WeakPolarHBondContact CA-O 3.25Å; K368-E381 HydrophobicContact CB-CB 4.28Å; K368-E381 PolarHBondContact N-O 3.34Å; K368-E381 PolarHBondContact O-N 3.2Å; K370-E381 VanDerWaalsContact CE-CD 3.5Å; K370-E381 VanDerWaalsContact CE-OE1 3.3Å; K370-E381 WeakPolarHBondContact CE-OE1 3.29Å; K370-E381 VanDerWaalsContact CE-OE2 3.29Å; K370-E381 WeakPolarHBondContact CE-OE2 3.17Å; K370-E381 VanDerWaalsContact NZ-CD 3.29Å; K370-E381 IonicContact NZ-OE1 2.64Å; K370-E381 PolarHBondContact NZ-OE1 3.48Å; K370-E381 IonicContact NZ-OE2 3.31Å; K370-E381 PolarHBondContact NZ-OE2 3.19Å
382C86.9Confident79.5Confident47 Ų4771.2 Ų71.232%0.31840%0.398SS..PPolyproline II helixtrans-85.3140.5-171-560000114.1C391C382-C391 WeakPolarHBondContact CA-SG 3.41Å; C382-C391 HydrophobicContact CB-CB 3.66Å; C382-C391 WeakPolarHBondContact CB-SG 2.99Å; C382-C391 WeakPolarHBondContact SG-CA 3.33Å; C382-C391 WeakPolarHBondContact SG-CB 3.3Å; C382-C391 CovalentContact SG-SG 2.04Å; C382-C391 PolarHBondContact SG-SG 2.95Å
383P84.7Confident79.9Confident45 Ų4573 Ų7329%0.29240%0.404SS..PPolyproline II helixtrans-71158.5176.526.5-29.6000112.1Q365 G385 Y386Q365-P383 WeakPolarHBondContact O-CG 3.31Å; P383-G385 PolarHBondContact O-N 3.17Å; P383-Y386 HydrophobicContact CG-CD2 4.24Å; P383-Y386 PolarHBondContact O-N 3.04Å
384A79.4Confident80.2Confident110 Ų11075.6 Ų75.691%0.90941%0.41SS*.THydrogen-bonded Turntrans-56125.7-176.600000112
385G75.4Confident80.4Confident36 Ų3670.9 Ų70.937%0.37139%0.388SS..THydrogen-bonded Turntrans93.32.4-176.500000114.9P383 K394 V395P383-G385 PolarHBondContact O-N 3.17Å; G385-K394 CarbonylContact O-C 3.58Å; G385-K394 WeakPolarHBondContact O-CA 3.37Å; G385-V395 VanDerWaalsContact C-CG2 3.48Å; G385-V395 PolarHBondContact O-N 3.22Å
386Y82.9Confident80.4Confident87 Ų8774.8 Ų74.834%0.34140%0.403SS..EExtended strand (participates in β ladder)trans-125.2153.3171.5-65.6-91.5000112.4Q365 P383 K393 K394Q365-Y386 HydrophobicContact CB-CD1 4.31Å; Q365-Y386 HydrophobicContact CB-CE1 4.29Å; Q365-Y386 HydrophobicContact CB-CE2 4.48Å; Q365-Y386 HydrophobicContact CB-CG 4.44Å; Q365-Y386 HydrophobicContact CG-CD1 4.11Å; Q365-Y386 HydrophobicContact CG-CE1 3.75Å; P383-Y386 HydrophobicContact CG-CD2 4.24Å; P383-Y386 PolarHBondContact O-N 3.04Å; Y386-K393 CarbonylContact C-O 3.58Å; Y386-K393 WeakPolarHBondContact CA-O 3.44Å; Y386-K394 HydrophobicContact CD1-CB 4.41Å; Y386-K394 HydrophobicContact CE1-CB 4.26Å; Y386-K394 HydrophobicContact CE1-CG 4.36Å
387T81.4Confident80.1Confident76 Ų7675 Ų7547%0.46641%0.408SS..EExtended strand (participates in β ladder)trans-150.8178.6-178.1-168.10000109.6C391 E392 K393 V395T387-C391 CarbonylContact O-C 3.35Å; T387-C391 WeakPolarHBondContact O-CA 3.21Å; T387-E392 PolarHBondContact O-N 3.46Å; T387-K393 HydrophobicContact CG2-CB 3.86Å; T387-K393 PolarHBondContact N-O 2.89Å; T387-K393 WeakPolarHBondContact O-CA 3Å; T387-K393 WeakPolarHBondContact O-CB 3.18Å; T387-K393 PolarHBondContact O-N 2.96Å; T387-V395 HydrophobicContact CG2-CG2 4.34Å
388G81.7Confident79.8Confident26 Ų2675.3 Ų75.327%0.26841%0.409SS..SBendtrans103.5164.9-170.800000112.6N390 C391G388-N390 PolarHBondContact O-N 3.4Å; G388-C391 PolarHBondContact O-N 2.9Å
389L84Confident78.9Confident127 Ų12778.5 Ų78.567%0.66543%0.434SS*.THydrogen-bonded Turntrans-63.3-34.2-176.4-176.667.4000111.3C380 E392C380-L389 WeakPolarHBondContact CB-O 3.44Å; L389-E392 PolarHBondContact N-OE2 3.45Å
390N87.4Confident77.8Confident32 Ų3278.9 Ų78.917%0.17144%0.444CS..THydrogen-bonded Turntrans-116.517.6-177.9-66.2-12.6000111.8P362 F364 Y378 G388 E392P362-N390 WeakPolarHBondContact O-CB 3.46Å; F364-N390 WeakPolarHBondContact CB-O 3.46Å; F364-N390 HydrophobicContact CD2-CB 3.72Å; F364-N390 WeakPolarHBondContact CD2-O 3.41Å; F364-N390 HydrophobicContact CE2-CB 3.94Å; F364-N390 PolarHBondContact N-O 3.46Å; Y378-N390 VanDerWaalsContact CE2-OD1 3.25Å; Y378-N390 WeakPolarHBondContact CE2-OD1 3.21Å; Y378-N390 PolarHBondContact OH-ND2 3.33Å; Y378-N390 PolarHBondContact OH-OD1 2.96Å; G388-N390 PolarHBondContact O-N 3.4Å; N390-E392 VanDerWaalsContact C-OE2 3.28Å; N390-E392 WeakPolarHBondContact CA-OE2 3.33Å; N390-E392 PolarHBondContact N-OE2 3.36Å; N390-E392 PolarHBondContact O-N 3.39Å
391C87.5Confident76.9Confident0 Ų080.6 Ų80.60%045%0.452CS..SBendtrans65.121.6-178.2-46.20000115.4Q365 C382 T387 G388 K393Q365-C391 PolarHBondContact OE1-O 3.43Å; C382-C391 WeakPolarHBondContact CA-SG 3.41Å; C382-C391 HydrophobicContact CB-CB 3.66Å; C382-C391 WeakPolarHBondContact CB-SG 2.99Å; C382-C391 WeakPolarHBondContact SG-CA 3.33Å; C382-C391 WeakPolarHBondContact SG-CB 3.3Å; C382-C391 CovalentContact SG-SG 2.04Å; C382-C391 PolarHBondContact SG-SG 2.95Å; T387-C391 CarbonylContact O-C 3.35Å; T387-C391 WeakPolarHBondContact O-CA 3.21Å; G388-C391 PolarHBondContact O-N 2.9Å; C391-K393 VanDerWaalsContact C-N 3.34Å; C391-K393 PolarHBondContact O-N 2.89Å
392E85.4Confident76.2Confident84 Ų8483.2 Ų83.239%0.39346%0.464SS..  trans-76.5-15-172.872.9-71.4169.600114.6F364 T387 L389 N390F364-E392 HydrophobicContact CD2-CB 4.07Å; T387-E392 PolarHBondContact O-N 3.46Å; L389-E392 PolarHBondContact N-OE2 3.45Å; N390-E392 VanDerWaalsContact C-OE2 3.28Å; N390-E392 WeakPolarHBondContact CA-OE2 3.33Å; N390-E392 PolarHBondContact N-OE2 3.36Å; N390-E392 PolarHBondContact O-N 3.39Å
393K79.4Confident75.8Confident129 Ų12982.2 Ų82.256%0.56146%0.457SS*.EExtended strand (participates in β ladder)trans-105.7136.8-174.1-55.9-177.9-177.8176.30111.3Y386 T387 C391Y386-K393 CarbonylContact C-O 3.58Å; Y386-K393 WeakPolarHBondContact CA-O 3.44Å; T387-K393 HydrophobicContact CG2-CB 3.86Å; T387-K393 PolarHBondContact N-O 2.89Å; T387-K393 WeakPolarHBondContact O-CA 3Å; T387-K393 WeakPolarHBondContact O-CB 3.18Å; T387-K393 PolarHBondContact O-N 2.96Å; C391-K393 VanDerWaalsContact C-N 3.34Å; C391-K393 PolarHBondContact O-N 2.89Å
394K75.4Confident75.6Confident159 Ų15982.4 Ų82.469%0.69146%0.457SS*.EExtended strand (participates in β ladder)trans-83.6138.4172.3-164.5175.5-176.8177.60110.3G385 Y386 D396G385-K394 CarbonylContact O-C 3.58Å; G385-K394 WeakPolarHBondContact O-CA 3.37Å; Y386-K394 HydrophobicContact CD1-CB 4.41Å; Y386-K394 HydrophobicContact CE1-CB 4.26Å; Y386-K394 HydrophobicContact CE1-CG 4.36Å; K394-D396 PolarHBondContact O-N 2.75Å
395V70.3Confident75.5Confident78 Ų7880.9 Ų80.947%0.47343%0.434SS..PPolyproline II helixtrans-68.1117.6178.3176.10000109.9G385 T387G385-V395 VanDerWaalsContact C-CG2 3.48Å; G385-V395 PolarHBondContact O-N 3.22Å; T387-V395 HydrophobicContact CG2-CG2 4.34Å
396D63.4Low75.4Confident109 Ų10982.3 Ų82.358%0.58345%0.449SS*.PPolyproline II helixtrans-79133.7176.9-169-11.5000111.3K394 C398 T399K394-D396 PolarHBondContact O-N 2.75Å; D396-C398 PolarHBondContact OD1-N 3.41Å; D396-C398 VanDerWaalsContact OD1-N 3.08Å; D396-T399 PolarHBondContact O-OG1 3.39Å
397K58.5Low75.2Confident165 Ų16579 Ų7972%0.71744%0.441SS*.SBendtrans-89.6-8.8-175-66.5-179.5-179.9-179.50113.6
398C65.6Low75.2Confident38 Ų3882 Ų8226%0.25745%0.449SS..SBendtrans-90.8-8.5-179.8-740000114.3D396 S400 L401 C409D396-C398 PolarHBondContact OD1-N 3.41Å; D396-C398 VanDerWaalsContact OD1-N 3.08Å; C398-S400 PolarHBondContact O-N 2.89Å; C398-L401 PolarHBondContact O-N 2.99Å; C398-C409 HydrophobicContact CB-CB 4.5Å
399T64.9Low75Confident114 Ų11481.8 Ų81.870%0.69944%0.443SS*.THydrogen-bonded Turntrans-64.6-15.3-173.4-32.60000114.5D396D396-T399 PolarHBondContact O-OG1 3.39Å
400S62Low74.6Confident88 Ų8877.5 Ų77.562%0.61543%0.426SS*.THydrogen-bonded Turntrans-103.9-9.1-175.1550000115.8C398 R416C398-S400 PolarHBondContact O-N 2.89Å; S400-R416 PolarHBondContact OG-NH1 3.32Å; S400-R416 VanDerWaalsContact OG-NH1 3.12Å
401L69.3Low73.8Confident51 Ų5179.8 Ų79.827%0.26744%0.441SS..  trans-116.8107.6178.1-17372.7000110.3C398 R416C398-L401 PolarHBondContact O-N 2.99Å; L401-R416 HydrophobicContact CD2-CB 3.96Å
402Q74.1Confident72.9Confident147 Ų14787.1 Ų87.169%0.68748%0.475SS*.  trans-91.8108.3178.1-65.8-179-2.500110.8R428Q402-R428 VanDerWaalsContact O-CZ 3.3Å; Q402-R428 PolarHBondContact O-NE 3.21Å; Q402-R428 PolarHBondContact O-NH2 3.47Å
403C79.4Confident72.2Confident26 Ų2686.3 Ų86.318%0.17649%0.489CS..  trans-73.6133.7168.4-530000109.5G407 C418C403-G407 VanDerWaalsContact CB-O 3.25Å; C403-G407 WeakPolarHBondContact CB-O 3.49Å; C403-C418 WeakPolarHBondContact CA-SG 3.37Å; C403-C418 HydrophobicContact CB-CB 3.76Å; C403-C418 WeakPolarHBondContact CB-SG 3.48Å; C403-C418 WeakPolarHBondContact SG-CA 3.49Å; C403-C418 WeakPolarHBondContact SG-CB 3.14Å; C403-C418 CovalentContact SG-SG 2.03Å; C403-C418 PolarHBondContact SG-SG 2.88Å
404V81.1Confident71.4Confident48 Ų4888.4 Ų88.429%0.29151%0.507SS..  trans-100173.3-178.7-61.50000111G406 G407 R428 E430V404-G406 PolarHBondContact O-N 3.27Å; V404-G407 PolarHBondContact O-N 2.76Å; V404-R428 HydrophobicContact CG2-CB 4.36Å; V404-R428 WeakPolarHBondContact CG2-O 3.39Å; V404-R428 PolarHBondContact N-O 3.31Å; V404-E430 HydrophobicContact CG2-CB 3.91Å
405N77.6Confident70.8Confident78 Ų7887 Ų8742%0.41751%0.506SS..THydrogen-bonded Turntrans52.331.7178.5-58.4-36.4000114.9F424 C429N405-F424 HydrophobicContact CB-CD1 3.87Å; N405-F424 HydrophobicContact CB-CD2 4.18Å; N405-F424 HydrophobicContact CB-CE1 3.88Å; N405-F424 HydrophobicContact CB-CE2 4.18Å; N405-F424 HydrophobicContact CB-CG 4.03Å; N405-F424 HydrophobicContact CB-CZ 4.03Å; N405-C429 WeakPolarHBondContact CB-O 3.47Å; N405-C429 PolarHBondContact ND2-O 3.48Å
406G71.6Confident70.9Confident67 Ų6790.1 Ų90.169%0.69151%0.509SS*.THydrogen-bonded Turntrans79.318.4178.100000115V404V404-G406 PolarHBondContact O-N 3.27Å
407G79.4Confident71.7Confident16 Ų1688.6 Ų88.617%0.16550%0.504CS..  trans-69.9150170.100000112.7C403 V404 S419C403-G407 VanDerWaalsContact CB-O 3.25Å; C403-G407 WeakPolarHBondContact CB-O 3.49Å; V404-G407 PolarHBondContact O-N 2.76Å; G407-S419 WeakPolarHBondContact CA-O 3.24Å
408H81.2Confident72.9Confident140 Ų14081.2 Ų81.265%0.64847%0.473SS*.EExtended strand (participates in β ladder)trans-108.9135177.1-177.1-80.8000111.1A410 S419H408-A410 PolarHBondContact O-N 3.4Å; H408-S419 PolarHBondContact N-O 2.81Å; H408-S419 VanDerWaalsContact N-O 3.1Å; H408-S419 PolarHBondContact O-N 3.45Å
409C78.7Confident73.8Confident21 Ų2183.1 Ų83.114%0.14249%0.487CS..EExtended strand (participates in β ladder)trans-77116.9178.9-176.90000110.4C398C398-C409 HydrophobicContact CB-CB 4.5Å
410A74.5Confident74.8Confident37 Ų3779.9 Ų79.931%0.30647%0.468SS..EExtended strand (participates in β ladder)trans-115.9141.217600000110.4H408 V417H408-A410 PolarHBondContact O-N 3.4Å; A410-V417 PolarHBondContact N-O 2.81Å; A410-V417 PolarHBondContact O-N 3.48Å; A410-V417 VanDerWaalsContact O-O 3.09Å
411V70Confident75.8Confident80 Ų8084.2 Ų84.249%0.48547%0.471SS..EExtended strand (participates in β ladder)trans-95.1115173.4-1770000107.8G413V411-G413 WeakPolarHBondContact CG1-O 3.44Å
412H68.8Low76.5Confident154 Ų15486.1 Ų86.171%0.71349%0.488SS*.EExtended strand (participates in β ladder)trans-110.4100.6174.3-120.565.6000108.5N414 L415H412-N414 PolarHBondContact O-N 2.88Å; H412-L415 PolarHBondContact N-O 2.83Å; H412-L415 PolarHBondContact O-N 3.47Å; H412-L415 VanDerWaalsContact O-N 3.11Å
413G71.4Confident76.8Confident67 Ų6779.2 Ų79.269%0.69146%0.457SS*.THydrogen-bonded Turntrans62.6-119.3-172.200000112V411V411-G413 WeakPolarHBondContact CG1-O 3.44Å
414N62.8Low77.2Confident174 Ų17479.5 Ų79.593%0.9346%0.455SS*.THydrogen-bonded Turntrans-97.52176.3-79.1-24.9000113.9H412H412-N414 PolarHBondContact O-N 2.88Å
415L61.7Low77.2Confident129 Ų12979.4 Ų79.468%0.67546%0.457SS*.EExtended strand (participates in β ladder)trans-106.3137.5-178.6-76146.1000110.5H412H412-L415 PolarHBondContact N-O 2.83Å; H412-L415 PolarHBondContact O-N 3.47Å; H412-L415 VanDerWaalsContact O-N 3.11Å
416R74.1Confident77.4Confident143 Ų14377.1 Ų77.154%0.5445%0.451SS..EExtended strand (participates in β ladder)trans-95.1121.4175.2-68172.1-97.7172-5.1107.9S400 L401S400-R416 PolarHBondContact OG-NH1 3.32Å; S400-R416 VanDerWaalsContact OG-NH1 3.12Å; L401-R416 HydrophobicContact CD2-CB 3.96Å
417V78.9Confident77.7Confident78 Ų7881 Ų8147%0.47346%0.455SS..EExtended strand (participates in β ladder)trans-133.6136.9-176.9-178.70000109.9A410A410-V417 PolarHBondContact N-O 2.81Å; A410-V417 PolarHBondContact O-N 3.48Å; A410-V417 VanDerWaalsContact O-O 3.09Å
418C83.5Confident77.9Confident9 Ų985.2 Ų85.26%0.06147%0.466CS..EExtended strand (participates in β ladder)trans-82.3127.1171.2-70.40000110.4C403 L427C403-C418 WeakPolarHBondContact CA-SG 3.37Å; C403-C418 HydrophobicContact CB-CB 3.76Å; C403-C418 WeakPolarHBondContact CB-SG 3.48Å; C403-C418 WeakPolarHBondContact SG-CA 3.49Å; C403-C418 WeakPolarHBondContact SG-CB 3.14Å; C403-C418 CovalentContact SG-SG 2.03Å; C403-C418 PolarHBondContact SG-SG 2.88Å; C418-L427 WeakPolarHBondContact CB-O 3.25Å
419S84.3Confident78.2Confident79 Ų7978.6 Ų78.655%0.55244%0.436SS*.EExtended strand (participates in β ladder)trans-89.5122.5170-171.50000109.6G407 H408G407-S419 WeakPolarHBondContact CA-O 3.24Å; H408-S419 PolarHBondContact N-O 2.81Å; H408-S419 VanDerWaalsContact N-O 3.1Å; H408-S419 PolarHBondContact O-N 3.45Å
420C86Confident78.5Confident45 Ų4582.1 Ų82.130%0.30445%0.45SS..PPolyproline II helixtrans-94.4145.1-171.1-55.70000113.9G426 C429C420-G426 PolarHBondContact SG-O 3.48Å; C420-C429 WeakPolarHBondContact CA-SG 3.33Å; C420-C429 HydrophobicContact CB-CB 3.6Å; C420-C429 WeakPolarHBondContact CB-SG 3.01Å; C420-C429 WeakPolarHBondContact SG-CA 3.31Å; C420-C429 WeakPolarHBondContact SG-CB 3.2Å; C420-C429 CovalentContact SG-SG 2.03Å; C420-C429 PolarHBondContact SG-SG 3.15Å
421R83.9Confident78.9Confident179 Ų17984.5 Ų84.568%0.67546%0.457SS*.PPolyproline II helixtrans-73.9147.7173-168.8177.2-176.6-166.50.2110.3G423 F424R421-G423 PolarHBondContact O-N 3.09Å; R421-F424 PolarHBondContact O-N 3.06Å
422S83.3Confident79.5Confident91 Ų9183.4 Ų83.464%0.63645%0.448SS*.THydrogen-bonded Turntrans-51136.6175.6-52.70000111.9
423G80.4Confident80.3Confident2 Ų279.7 Ų79.72%0.02143%0.433CS..THydrogen-bonded Turntrans92.2-13.4-170.100000114.3R421 N432 I433R421-G423 PolarHBondContact O-N 3.09Å; G423-N432 PolarHBondContact O-OD1 3.31Å; G423-N432 VanDerWaalsContact O-OD1 3.05Å; G423-I433 WeakPolarHBondContact O-CG1 3.39Å; G423-I433 PolarHBondContact O-N 2.8Å
424F87.4Confident80.9Confident33 Ų3380.7 Ų80.715%0.14542%0.422CS..EExtended strand (participates in β ladder)trans-121.7151.2178.5-63.8-83.9000113.4N405 R421 C429 I431 N432 I451N405-F424 HydrophobicContact CB-CD1 3.87Å; N405-F424 HydrophobicContact CB-CD2 4.18Å; N405-F424 HydrophobicContact CB-CE1 3.88Å; N405-F424 HydrophobicContact CB-CE2 4.18Å; N405-F424 HydrophobicContact CB-CG 4.03Å; N405-F424 HydrophobicContact CB-CZ 4.03Å; R421-F424 PolarHBondContact O-N 3.06Å; F424-C429 HydrophobicContact CB-CB 4.44Å; F424-I431 CarbonylContact C-O 3.54Å; F424-I431 WeakPolarHBondContact CA-O 3.44Å; F424-N432 HydrophobicContact CD1-CB 4.39Å; F424-N432 HydrophobicContact CE1-CB 4.17Å; F424-I451 HydrophobicContact CD2-CG2 4.48Å; F424-I451 HydrophobicContact CE2-CG2 3.59Å; F424-I451 HydrophobicContact CZ-CD1 4.02Å; F424-I451 HydrophobicContact CZ-CG1 4.18Å; F424-I451 HydrophobicContact CZ-CG2 3.9Å
425S82.4Confident82Confident46 Ų4674 Ų7432%0.32239%0.386SS..EExtended strand (participates in β ladder)trans-142.5178.5176.167.30000111.1C429 E430 I431S425-C429 CarbonylContact O-C 3.58Å; S425-C429 VanDerWaalsContact O-C 3.26Å; S425-C429 WeakPolarHBondContact O-CA 3.43Å; S425-E430 PolarHBondContact O-N 3.42Å; S425-E430 VanDerWaalsContact O-N 3.16Å; S425-I431 PolarHBondContact N-O 2.04Å; S425-I431 WeakPolarHBondContact O-CB 3.41Å; S425-I431 PolarHBondContact O-N 3.49Å
426G81.1Confident83.1Confident29 Ų2968.7 Ų68.730%0.29936%0.359SS..SBendtrans103167.9-175.800000113.7C420 R428 C429C420-G426 PolarHBondContact SG-O 3.48Å; G426-R428 PolarHBondContact O-N 3.36Å; G426-C429 PolarHBondContact O-N 3.46Å
427L78.9Confident83.6Confident149 Ų14965.3 Ų65.378%0.7836%0.361SS*.THydrogen-bonded Turntrans-70.8-20.9-173.1-77.1168000113.3C418 E430C418-L427 WeakPolarHBondContact CB-O 3.25Å; L427-E430 PolarHBondContact N-OE2 3.22Å
428R82.6Confident83.8Confident105 Ų10572.4 Ų72.440%0.39638%0.38SS..THydrogen-bonded Turntrans-12211.5174.9-62.5178.762.4-152.9-2.5111.8Q402 V404 G426 E430Q402-R428 VanDerWaalsContact O-CZ 3.3Å; Q402-R428 PolarHBondContact O-NE 3.21Å; Q402-R428 PolarHBondContact O-NH2 3.47Å; V404-R428 HydrophobicContact CG2-CB 4.36Å; V404-R428 WeakPolarHBondContact CG2-O 3.39Å; V404-R428 PolarHBondContact N-O 3.31Å; G426-R428 PolarHBondContact O-N 3.36Å; R428-E430 VanDerWaalsContact C-OE2 3.22Å; R428-E430 VanDerWaalsContact CA-OE2 3.25Å; R428-E430 WeakPolarHBondContact CA-OE2 3.18Å; R428-E430 WeakPolarHBondContact CB-OE2 3Å; R428-E430 PolarHBondContact N-OE2 2.8Å
429C87.1Confident83.7Confident0 Ų078.6 Ų78.60%041%0.412CS..SBendtrans67.532.5-175.9-43.40000114N405 C420 F424 S425 G426N405-C429 WeakPolarHBondContact CB-O 3.47Å; N405-C429 PolarHBondContact ND2-O 3.48Å; C420-C429 WeakPolarHBondContact CA-SG 3.33Å; C420-C429 HydrophobicContact CB-CB 3.6Å; C420-C429 WeakPolarHBondContact CB-SG 3.01Å; C420-C429 WeakPolarHBondContact SG-CA 3.31Å; C420-C429 WeakPolarHBondContact SG-CB 3.2Å; C420-C429 CovalentContact SG-SG 2.03Å; C420-C429 PolarHBondContact SG-SG 3.15Å; F424-C429 HydrophobicContact CB-CB 4.44Å; S425-C429 CarbonylContact O-C 3.58Å; S425-C429 VanDerWaalsContact O-C 3.26Å; S425-C429 WeakPolarHBondContact O-CA 3.43Å; G426-C429 PolarHBondContact O-N 3.46Å
430E84.8Confident83.8Confident96 Ų9676.2 Ų76.245%0.44939%0.394SS..  trans-84.2-14-172.768.8-82-161.800114.9V404 S425 L427 R428V404-E430 HydrophobicContact CG2-CB 3.91Å; S425-E430 PolarHBondContact O-N 3.42Å; S425-E430 VanDerWaalsContact O-N 3.16Å; L427-E430 PolarHBondContact N-OE2 3.22Å; R428-E430 VanDerWaalsContact C-OE2 3.22Å; R428-E430 VanDerWaalsContact CA-OE2 3.25Å; R428-E430 WeakPolarHBondContact CA-OE2 3.18Å; R428-E430 WeakPolarHBondContact CB-OE2 3Å; R428-E430 PolarHBondContact N-OE2 2.8Å
431I83.1Confident83.8Confident87 Ų8775.1 Ų75.145%0.44639%0.387SS..EExtended strand (participates in β ladder)trans-102.5117.6-172.4-51.7178000109.5F424 S425F424-I431 CarbonylContact C-O 3.54Å; F424-I431 WeakPolarHBondContact CA-O 3.44Å; S425-I431 PolarHBondContact N-O 2.04Å; S425-I431 WeakPolarHBondContact O-CB 3.41Å; S425-I431 PolarHBondContact O-N 3.49Å
432N82.9Confident83.9Confident57 Ų5769.1 Ų69.131%0.30537%0.373SS..EExtended strand (participates in β ladder)trans-72.7135.2167.2-167.541.7000109.6G423 F424 D449 G450G423-N432 PolarHBondContact O-OD1 3.31Å; G423-N432 VanDerWaalsContact O-OD1 3.05Å; F424-N432 HydrophobicContact CD1-CB 4.39Å; F424-N432 HydrophobicContact CE1-CB 4.17Å; N432-D449 PolarHBondContact ND2-OD2 2.89Å; N432-D449 VanDerWaalsContact ND2-OD2 3.16Å; N432-G450 PolarHBondContact ND2-O 3.46Å
433I86.2Confident83.6Confident76 Ų7668.9 Ų68.939%0.3936%0.364SS..PPolyproline II helixtrans-77.5125.4176.2-62.6172.3000107.9G423 E435G423-I433 WeakPolarHBondContact O-CG1 3.39Å; G423-I433 PolarHBondContact O-N 2.8Å; I433-E435 VanDerWaalsContact O-CD 3.27Å; I433-E435 PolarHBondContact O-N 3.01Å
434D83.3Confident83.3Confident88 Ų8872.6 Ų72.647%0.47140%0.403SS..  trans-81.4106177.7-179.8-10.1000110.3C436 A437D434-C436 VanDerWaalsContact C-N 3.33Å; D434-C436 WeakPolarHBondContact OD1-CA 3.11Å; D434-C436 VanDerWaalsContact OD1-CB 3.31Å; D434-C436 WeakPolarHBondContact OD1-CB 3.33Å; D434-C436 PolarHBondContact OD1-N 2.94Å; D434-A437 HydrophobicContact CB-CB 4.45Å; D434-A437 WeakPolarHBondContact O-CB 3.5Å; D434-A437 PolarHBondContact OD1-N 3.41Å; D434-A437 VanDerWaalsContact OD1-N 3.15Å
435E85.4Confident83.1Confident34 Ų3471.9 Ų71.916%0.15940%0.402CS..G310 helixtrans-77.9-17.3178.7-76.393-151.600113.4I433 A437 D449 N452 H453 Y454I433-E435 VanDerWaalsContact O-CD 3.27Å; I433-E435 PolarHBondContact O-N 3.01Å; E435-A437 VanDerWaalsContact C-N 3.34Å; E435-D449 PolarHBondContact N-OD1 3.36Å; E435-N452 WeakPolarHBondContact OE1-CA 3.33Å; E435-N452 VanDerWaalsContact OE2-CA 3.29Å; E435-N452 WeakPolarHBondContact OE2-CA 3.25Å; E435-N452 PolarHBondContact OE2-N 2.93Å; E435-H453 PolarHBondContact OE2-N 3.32Å; E435-Y454 HydrophobicContact CB-CD1 4.22Å
436C84.9Confident83.3Confident17 Ų1774 Ų7412%0.11541%0.413CS..G310 helixtrans-78.9-13.8174.8-75.70000113.4D434 R438 N439 C447 V448 D449D434-C436 VanDerWaalsContact C-N 3.33Å; D434-C436 WeakPolarHBondContact OD1-CA 3.11Å; D434-C436 VanDerWaalsContact OD1-CB 3.31Å; D434-C436 WeakPolarHBondContact OD1-CB 3.33Å; D434-C436 PolarHBondContact OD1-N 2.94Å; C436-R438 PolarHBondContact O-N 3.46Å; C436-N439 PolarHBondContact O-N 2.79Å; C436-C447 VanDerWaalsContact CA-SG 3.56Å; C436-C447 HydrophobicContact CB-CB 3.85Å; C436-C447 WeakPolarHBondContact CB-SG 3.49Å; C436-C447 WeakPolarHBondContact SG-CB 3.32Å; C436-C447 CovalentContact SG-SG 2.05Å; C436-C447 PolarHBondContact SG-SG 3.2Å; C436-V448 PolarHBondContact SG-N 2.03Å; C436-D449 PolarHBondContact SG-N 2.98Å
437A85.8Confident83.7Confident71 Ų7174.2 Ų74.259%0.58741%0.409SS*.G310 helixtrans-54.4-20.6-178.500000114.9D434 E435D434-A437 HydrophobicContact CB-CB 4.45Å; D434-A437 WeakPolarHBondContact O-CB 3.5Å; D434-A437 PolarHBondContact OD1-N 3.41Å; D434-A437 VanDerWaalsContact OD1-N 3.15Å; E435-A437 VanDerWaalsContact C-N 3.34Å
438R83.3Confident84.1Confident228 Ų22870.3 Ų70.386%0.8639%0.392SS*.G310 helixtrans-98.18.1177.4-73.8-175.7-82.9170.3-5.9114.9C436C436-R438 PolarHBondContact O-N 3.46Å
439N81.1Confident84.2Confident139 Ų13968.2 Ų68.274%0.74339%0.388SS*.  trans49.662.7-179.4-62.7-52.2000114.2C436 C441C436-N439 PolarHBondContact O-N 2.79Å; N439-C441 VanDerWaalsContact C-N 3.28Å; N439-C441 PolarHBondContact O-N 2.8Å
440P85.1Confident83.9Confident28 Ų2868.9 Ų68.918%0.18240%0.395CS..  trans-75.2-10.7-17630.9-36.4000114.9Y454 H466P440-Y454 HydrophobicContact CB-CD2 4.13Å; P440-Y454 HydrophobicContact CB-CE1 3.93Å; P440-Y454 HydrophobicContact CB-CE2 3.46Å; P440-Y454 VanDerWaalsContact CB-CE2 3.46Å; P440-Y454 HydrophobicContact CG-CD1 3.96Å; P440-Y454 HydrophobicContact CG-CD2 3.4Å; P440-Y454 VanDerWaalsContact CG-CD2 3.4Å; P440-Y454 HydrophobicContact CG-CE1 3.86Å; P440-Y454 HydrophobicContact CG-CE2 3.29Å; P440-Y454 HydrophobicContact CG-CG 3.76Å; P440-H466 PolarHBondContact O-ND1 2.83Å
441C87.2Confident83.8Confident23 Ų2369 Ų6916%0.15540%0.398CS..  trans-93.7139-175.6-54.70000112.1N439 S445 C447 C456N439-C441 VanDerWaalsContact C-N 3.28Å; N439-C441 PolarHBondContact O-N 2.8Å; C441-S445 VanDerWaalsContact CB-OG 3.23Å; C441-S445 WeakPolarHBondContact CB-OG 3.01Å; C441-C447 HydrophobicContact CB-CB 4.31Å; C441-C447 VanDerWaalsContact SG-CA 3.53Å; C441-C447 WeakPolarHBondContact SG-CB 3.29Å; C441-C447 VanDerWaalsContact SG-SG 3.63Å; C441-C456 WeakPolarHBondContact CA-SG 3.39Å; C441-C456 HydrophobicContact CB-CB 3.69Å; C441-C456 WeakPolarHBondContact CB-SG 3.4Å; C441-C456 WeakPolarHBondContact SG-CA 3.39Å; C441-C456 WeakPolarHBondContact SG-CB 3.07Å; C441-C456 CovalentContact SG-SG 2.02Å; C441-C456 PolarHBondContact SG-SG 3.34Å
442S85.1Confident83.7Confident53 Ų5369.6 Ų69.637%0.37140%0.402SS..  trans-106.7169.7-173-630000113.7G444 S445 H466S442-G444 VanDerWaalsContact C-N 3.33Å; S442-G444 PolarHBondContact O-N 3.03Å; S442-S445 PolarHBondContact N-OG 3.09Å; S442-S445 WeakPolarHBondContact O-CB 2.99Å; S442-S445 PolarHBondContact O-N 3.01Å; S442-S445 VanDerWaalsContact O-N 3.17Å; S442-S445 PolarHBondContact O-OG 2.75Å; S442-H466 VanDerWaalsContact CB-O 3.29Å; S442-H466 WeakPolarHBondContact CB-O 3.34Å; S442-H466 PolarHBondContact N-O 2.98Å
443N77.3Confident83.8Confident85 Ų8571.8 Ų71.846%0.45541%0.41SS..THydrogen-bonded Turntrans56.238172.9-60.2-42000115.3S445 Y462 C467N443-S445 PolarHBondContact O-N 3.34Å; N443-Y462 HydrophobicContact CB-CD1 4.46Å; N443-Y462 HydrophobicContact CB-CE1 4.47Å; N443-C467 PolarHBondContact ND2-O 3.49Å
444G75Confident83.8Confident81 Ų8170.3 Ų70.384%0.83540%0.4SS*.THydrogen-bonded Turntrans69.819.2178.400000114.3S442S442-G444 VanDerWaalsContact C-N 3.33Å; S442-G444 PolarHBondContact O-N 3.03Å
445S83.2Confident84Confident17 Ų1769.9 Ų69.912%0.11940%0.401CS..PPolyproline II helixtrans-73.9152.4173.553.20000112.4C441 S442 N443 I457C441-S445 VanDerWaalsContact CB-OG 3.23Å; C441-S445 WeakPolarHBondContact CB-OG 3.01Å; S442-S445 PolarHBondContact N-OG 3.09Å; S442-S445 WeakPolarHBondContact O-CB 2.99Å; S442-S445 PolarHBondContact O-N 3.01Å; S442-S445 VanDerWaalsContact O-N 3.17Å; S442-S445 PolarHBondContact O-OG 2.75Å; N443-S445 PolarHBondContact O-N 3.34Å; S445-I457 WeakPolarHBondContact CA-O 3.23Å; S445-I457 WeakPolarHBondContact CB-O 3.44Å
446T86.8Confident84.1Confident90 Ų9069 Ų6955%0.55240%0.398SS*.EExtended strand (participates in β ladder)trans-89.1124.8179-54.40000110I457T446-I457 PolarHBondContact N-O 3Å; T446-I457 PolarHBondContact O-N 3.49Å
447C89.2Confident84.1Confident34 Ų3473.1 Ų73.123%0.2342%0.418CS..EExtended strand (participates in β ladder)trans-83.6134.4171.2-1670000110.4C436 C441C436-C447 VanDerWaalsContact CA-SG 3.56Å; C436-C447 HydrophobicContact CB-CB 3.85Å; C436-C447 WeakPolarHBondContact CB-SG 3.49Å; C436-C447 WeakPolarHBondContact SG-CB 3.32Å; C436-C447 CovalentContact SG-SG 2.05Å; C436-C447 PolarHBondContact SG-SG 3.2Å; C441-C447 HydrophobicContact CB-CB 4.31Å; C441-C447 VanDerWaalsContact SG-CA 3.53Å; C441-C447 WeakPolarHBondContact SG-CB 3.29Å; C441-C447 VanDerWaalsContact SG-SG 3.63Å
448V87.1Confident83.9Confident68 Ų6871.9 Ų71.941%0.41240%0.404SS..EExtended strand (participates in β ladder)trans-118.9119.6173.7-176.80000108.4C436 Y454 T455 I457C436-V448 PolarHBondContact SG-N 2.03Å; V448-Y454 CarbonylContact O-C 3.39Å; V448-Y454 WeakPolarHBondContact O-CA 3.1Å; V448-T455 PolarHBondContact N-O 3.36Å; V448-T455 PolarHBondContact O-N 3.2Å; V448-I457 HydrophobicContact CG2-CD1 3.82Å; V448-I457 HydrophobicContact CG2-CG1 4.25Å
449D83.6Confident83.6Confident60 Ų6062.9 Ų62.932%0.32138%0.376SS..EExtended strand (participates in β ladder)trans-69.5146.2177.9-174.852.3000111.2N432 E435 C436N432-D449 PolarHBondContact ND2-OD2 2.89Å; N432-D449 VanDerWaalsContact ND2-OD2 3.16Å; E435-D449 PolarHBondContact N-OD1 3.36Å; C436-D449 PolarHBondContact SG-N 2.98Å
450G81.4Confident83.3Confident14 Ų1462.6 Ų62.614%0.14438%0.382CS..  trans-129.3-164.9177.800000110.6N432 H453N432-G450 PolarHBondContact ND2-O 3.46Å; G450-H453 CarbonylContact C-O 3.56Å; G450-H453 WeakPolarHBondContact CA-O 3.4Å; G450-H453 PolarHBondContact N-O 2.85Å
451I81.8Confident82.5Confident100 Ų10063.2 Ų63.251%0.51339%0.393SS..SBendtrans-95.7110170.9-62.8169.5000107F424 H453F424-I451 HydrophobicContact CD2-CG2 4.48Å; F424-I451 HydrophobicContact CE2-CG2 3.59Å; F424-I451 HydrophobicContact CZ-CD1 4.02Å; F424-I451 HydrophobicContact CZ-CG1 4.18Å; F424-I451 HydrophobicContact CZ-CG2 3.9Å; I451-H453 PolarHBondContact O-N 2.76Å; I451-H453 PolarHBondContact O-ND1 3.2Å
452N83Confident82.1Confident98 Ų9867.1 Ų67.152%0.52441%0.405SS..SBendtrans60.524.9-179.5-164.169.7000113.6E435E435-N452 WeakPolarHBondContact OE1-CA 3.33Å; E435-N452 VanDerWaalsContact OE2-CA 3.29Å; E435-N452 WeakPolarHBondContact OE2-CA 3.25Å; E435-N452 PolarHBondContact OE2-N 2.93Å
453H84.1Confident81.6Confident104 Ų10469 Ų6948%0.48141%0.409SS..  trans-165.2163.3177.675.3-75.3000110.8E435 G450 I451E435-H453 PolarHBondContact OE2-N 3.32Å; G450-H453 CarbonylContact C-O 3.56Å; G450-H453 WeakPolarHBondContact CA-O 3.4Å; G450-H453 PolarHBondContact N-O 2.85Å; I451-H453 PolarHBondContact O-N 2.76Å; I451-H453 PolarHBondContact O-ND1 3.2Å
454Y86.5Confident81.6Confident45 Ų4566.8 Ų66.818%0.17641%0.406CS..EExtended strand (participates in β ladder)trans-132.1161.1173.566.9-86.3000111E435 P440 V448 H465 H466E435-Y454 HydrophobicContact CB-CD1 4.22Å; P440-Y454 HydrophobicContact CB-CD2 4.13Å; P440-Y454 HydrophobicContact CB-CE1 3.93Å; P440-Y454 HydrophobicContact CB-CE2 3.46Å; P440-Y454 VanDerWaalsContact CB-CE2 3.46Å; P440-Y454 HydrophobicContact CG-CD1 3.96Å; P440-Y454 HydrophobicContact CG-CD2 3.4Å; P440-Y454 VanDerWaalsContact CG-CD2 3.4Å; P440-Y454 HydrophobicContact CG-CE1 3.86Å; P440-Y454 HydrophobicContact CG-CE2 3.29Å; P440-Y454 HydrophobicContact CG-CG 3.76Å; V448-Y454 CarbonylContact O-C 3.39Å; V448-Y454 WeakPolarHBondContact O-CA 3.1Å; Y454-H465 AromaticContact CE2-CE1 3.66Å; Y454-H465 AromaticContact CZ-CE1 3.61Å; Y454-H465 PolarHBondContact OH-CE1 2.57Å; Y454-H466 PolarHBondContact OH-CE1 3.21Å; Y454-H466 PolarHBondContact OH-ND1 2.02Å
455T86.6Confident81.9Confident78 Ų7868.5 Ų68.548%0.47939%0.392SS..EExtended strand (participates in β ladder)trans-128.7135.6176.1-57.20000111.2V448V448-T455 PolarHBondContact N-O 3.36Å; V448-T455 PolarHBondContact O-N 3.2Å
456C87.8Confident81.9Confident16 Ų1671.1 Ų71.111%0.10840%0.402CS..EExtended strand (participates in β ladder)trans-100.5130.7175.7-56.40000111.9C441 H465C441-C456 WeakPolarHBondContact CA-SG 3.39Å; C441-C456 HydrophobicContact CB-CB 3.69Å; C441-C456 WeakPolarHBondContact CB-SG 3.4Å; C441-C456 WeakPolarHBondContact SG-CA 3.39Å; C441-C456 WeakPolarHBondContact SG-CB 3.07Å; C441-C456 CovalentContact SG-SG 2.02Å; C441-C456 PolarHBondContact SG-SG 3.34Å; C456-H465 VanDerWaalsContact CB-O 3.32Å; C456-H465 WeakPolarHBondContact CB-O 3.09Å; C456-H465 PolarHBondContact SG-O 3.34Å
457I84.9Confident81.6Confident103 Ų10366.8 Ų66.853%0.52838%0.376SS..EExtended strand (participates in β ladder)trans-94.6109.3175.4-57.2176.7000109.5S445 T446 V448S445-I457 WeakPolarHBondContact CA-O 3.23Å; S445-I457 WeakPolarHBondContact CB-O 3.44Å; T446-I457 PolarHBondContact N-O 3Å; T446-I457 PolarHBondContact O-N 3.49Å; V448-I457 HydrophobicContact CG2-CD1 3.82Å; V448-I457 HydrophobicContact CG2-CG1 4.25Å
458C81.1Confident81.3Confident45 Ų4569.1 Ų69.130%0.30439%0.386SS..PPolyproline II helixtrans-81.6138.3-172.5-520000113.9G464 C467C458-G464 PolarHBondContact SG-O 2.87Å; C458-G464 VanDerWaalsContact SG-O 3.36Å; C458-C467 WeakPolarHBondContact CA-SG 3.29Å; C458-C467 HydrophobicContact CB-CB 3.59Å; C458-C467 WeakPolarHBondContact CB-SG 3.35Å; C458-C467 PolarHBondContact N-SG 2.82Å; C458-C467 VanDerWaalsContact N-SG 3.36Å; C458-C467 WeakPolarHBondContact SG-CA 3.28Å; C458-C467 WeakPolarHBondContact SG-CB 3.38Å; C458-C467 CovalentContact SG-SG 2.03Å; C458-C467 PolarHBondContact SG-SG 3.34Å
459P78.7Confident80.8Confident40 Ų4073.5 Ų73.526%0.2640%0.395SS..PPolyproline II helixtrans-71.7157.8173.627.7-32.6000112.6G461 Y462P459-G461 PolarHBondContact O-N 3.17Å; P459-Y462 HydrophobicContact CG-CD2 4.16Å; P459-Y462 PolarHBondContact O-N 3.26Å; P459-Y462 VanDerWaalsContact O-N 3.09Å
460P73.1Confident80.1Confident133 Ų13375.5 Ų75.586%0.86441%0.411SS*.THydrogen-bonded Turntrans-54.9129.2-178.7-24.633.3000112.8
461G69.2Low79.3Confident40 Ų4080 Ų8041%0.41243%0.43SS..THydrogen-bonded Turntrans97.1-10.8-177.800000114.4P459 P470 M471P459-G461 PolarHBondContact O-N 3.17Å; G461-P470 CarbonylContact O-C 3.26Å; G461-P470 VanDerWaalsContact O-CA 3.31Å; G461-P470 WeakPolarHBondContact O-CA 3.21Å; G461-M471 PolarHBondContact O-N 2.87Å
462Y78.8Confident78.6Confident106 Ų10680.7 Ų80.742%0.41643%0.434SS..EExtended strand (participates in β ladder)trans-115.8150.5176.1-66.1-93.7000112.4N443 P459 R469N443-Y462 HydrophobicContact CB-CD1 4.46Å; N443-Y462 HydrophobicContact CB-CE1 4.47Å; P459-Y462 HydrophobicContact CG-CD2 4.16Å; P459-Y462 PolarHBondContact O-N 3.26Å; P459-Y462 VanDerWaalsContact O-N 3.09Å; Y462-R469 CarbonylContact C-O 3.53Å; Y462-R469 WeakPolarHBondContact CA-O 3.44Å
463M75.1Confident77.8Confident93 Ų9384.2 Ų84.246%0.45844%0.44SS..EExtended strand (participates in β ladder)trans-147.9164.1-179.658.5179.5174.600111.4D468 R469 P470M463-D468 PolarHBondContact O-N 2.89Å; M463-R469 HydrophobicContact CG-CB 4.13Å; M463-R469 WeakPolarHBondContact CG-O 3.47Å; M463-R469 PolarHBondContact N-O 2.05Å; M463-R469 WeakPolarHBondContact O-CB 3.31Å; M463-R469 PolarHBondContact O-N 3.47Å; M463-P470 WeakPolarHBondContact CE-O 3.48Å
464G76.4Confident77Confident37 Ų3780.6 Ų80.638%0.38143%0.426SS..SBendtrans115.7161.1-179.100000113.3C458 H466 C467C458-G464 PolarHBondContact SG-O 2.87Å; C458-G464 VanDerWaalsContact SG-O 3.36Å; G464-H466 PolarHBondContact O-N 3.28Å; G464-C467 PolarHBondContact O-N 3.5Å
465H81.1Confident76.1Confident118 Ų11882.2 Ų82.255%0.54645%0.449SS..THydrogen-bonded Turntrans-58.8-29.8-178.7-175.7-82.2000112.9Y454 C456Y454-H465 AromaticContact CE2-CE1 3.66Å; Y454-H465 AromaticContact CZ-CE1 3.61Å; Y454-H465 PolarHBondContact OH-CE1 2.57Å; C456-H465 VanDerWaalsContact CB-O 3.32Å; C456-H465 WeakPolarHBondContact CB-O 3.09Å; C456-H465 PolarHBondContact SG-O 3.34Å
466H82.6Confident75.1Confident71 Ų7183 Ų8333%0.32946%0.457SS..THydrogen-bonded Turntrans-107.56.3175.9-59.8-91000113.1P440 S442 Y454 G464 D468P440-H466 PolarHBondContact O-ND1 2.83Å; S442-H466 VanDerWaalsContact CB-O 3.29Å; S442-H466 WeakPolarHBondContact CB-O 3.34Å; S442-H466 PolarHBondContact N-O 2.98Å; Y454-H466 PolarHBondContact OH-CE1 3.21Å; Y454-H466 PolarHBondContact OH-ND1 2.02Å; G464-H466 PolarHBondContact O-N 3.28Å; H466-D468 PolarHBondContact O-N 3.19Å
467C80.7Confident74Confident0 Ų089.8 Ų89.80%049%0.49CS..SBendtrans59.339.2-178.3-52.10000114.9N443 C458 G464N443-C467 PolarHBondContact ND2-O 3.49Å; C458-C467 WeakPolarHBondContact CA-SG 3.29Å; C458-C467 HydrophobicContact CB-CB 3.59Å; C458-C467 WeakPolarHBondContact CB-SG 3.35Å; C458-C467 PolarHBondContact N-SG 2.82Å; C458-C467 VanDerWaalsContact N-SG 3.36Å; C458-C467 WeakPolarHBondContact SG-CA 3.28Å; C458-C467 WeakPolarHBondContact SG-CB 3.38Å; C458-C467 CovalentContact SG-SG 2.03Å; C458-C467 PolarHBondContact SG-SG 3.34Å; G464-C467 PolarHBondContact O-N 3.5Å
468D82.8Confident73.5Confident82 Ų8286.1 Ų86.144%0.43947%0.472SS..  trans-100.7-4.9-171.660.8-37.2000114.9M463 H466M463-D468 PolarHBondContact O-N 2.89Å; H466-D468 PolarHBondContact O-N 3.19Å
469R77.1Confident73.4Confident161 Ų16184.9 Ų84.961%0.60846%0.464SS*.EExtended strand (participates in β ladder)trans-117.1137.2-172.5-54-178.4178.7-169-2.2114.8Y462 M463Y462-R469 CarbonylContact C-O 3.53Å; Y462-R469 WeakPolarHBondContact CA-O 3.44Å; M463-R469 HydrophobicContact CG-CB 4.13Å; M463-R469 WeakPolarHBondContact CG-O 3.47Å; M463-R469 PolarHBondContact N-O 2.05Å; M463-R469 WeakPolarHBondContact O-CB 3.31Å; M463-R469 PolarHBondContact O-N 3.47Å
470P69.9Low73.3Confident101 Ų10187 Ų8766%0.65647%0.473SS*.EExtended strand (participates in β ladder)trans-86.1152.7178.731.9-33.6000115.5G461 M463G461-P470 CarbonylContact O-C 3.26Å; G461-P470 VanDerWaalsContact O-CA 3.31Å; G461-P470 WeakPolarHBondContact O-CA 3.21Å; M463-P470 WeakPolarHBondContact CE-O 3.48Å
471M64.9Low73.3Confident110 Ų11084.4 Ų84.454%0.54245%0.451SS..  trans-100.3128-171.1-165.5179.2-171.400115.7G461G461-M471 PolarHBondContact O-N 2.87Å
472N66.5Low73.5Confident114 Ų11486 Ų8661%0.6147%0.468SS*.  trans-118.2129.2174.3-178.9-13.4000112.2C474N472-C474 PolarHBondContact OD1-N 3.16Å
473R65Low73.5Confident172 Ų17281.5 Ų81.565%0.64945%0.454SS*.SBendtrans-105.6-3.8-170.2-58.1-167.7-169.8-155.23.9117.1
474C68.6Low73.7Confident27 Ų2781.5 Ų81.518%0.18246%0.459CS..SBendtrans-99.7-3.8172.7-76.30000113.8N472 S476 M477 C485 H487N472-C474 PolarHBondContact OD1-N 3.16Å; C474-S476 PolarHBondContact O-N 2.84Å; C474-M477 PolarHBondContact O-N 2.93Å; C474-C485 VanDerWaalsContact SG-SG 3.69Å; C474-H487 VanDerWaalsContact SG-CE1 3.5Å; C474-H487 PolarHBondContact SG-NE2 3.31Å
475A66.8Low73.8Confident79 Ų7981.6 Ų81.665%0.65345%0.454SS*.THydrogen-bonded Turntrans-64.5-18178.500000113.7M477A475-M477 VanDerWaalsContact C-N 3.32Å; A475-M477 PolarHBondContact O-N 2.97Å
476S66.5Low73.6Confident94 Ų9478.8 Ų78.866%0.65745%0.445SS*.THydrogen-bonded Turntrans-84.82.9-179.555.80000114.8C474C474-S476 PolarHBondContact O-N 2.84Å
477M64.6Low73Confident160 Ų16081.7 Ų81.779%0.78846%0.458SS*.  trans45.660.7179-59.8179.876.100114C474 A475 C479C474-M477 PolarHBondContact O-N 2.93Å; A475-M477 VanDerWaalsContact C-N 3.32Å; A475-M477 PolarHBondContact O-N 2.97Å; M477-C479 VanDerWaalsContact C-N 3.28Å; M477-C479 PolarHBondContact O-N 3.3Å
478P74Confident72.3Confident26 Ų2682.1 Ų82.117%0.16946%0.463CS..  trans-770.2-169.131.2-36.9000116.1P493 Q505P478-P493 HydrophobicContact CG-CB 3.88Å; P478-P493 HydrophobicContact CG-CG 4.16Å; P478-Q505 WeakPolarHBondContact O-CG 2.97Å
479C79.4Confident71Confident18 Ų1885.1 Ų85.112%0.12249%0.487CS..  trans-102.6129-179.6-54.40000110.6M477 G483 C485 C495M477-C479 VanDerWaalsContact C-N 3.28Å; M477-C479 PolarHBondContact O-N 3.3Å; C479-G483 VanDerWaalsContact CB-O 3.26Å; C479-G483 WeakPolarHBondContact CB-O 3.18Å; C479-C485 HydrophobicContact CB-CB 4.44Å; C479-C485 WeakPolarHBondContact SG-CA 3.43Å; C479-C485 WeakPolarHBondContact SG-CB 3.25Å; C479-C495 WeakPolarHBondContact CA-SG 3.35Å; C479-C495 HydrophobicContact CB-CB 3.68Å; C479-C495 WeakPolarHBondContact CB-SG 3.34Å; C479-C495 WeakPolarHBondContact SG-CA 3.04Å; C479-C495 WeakPolarHBondContact SG-CB 3.33Å; C479-C495 CovalentContact SG-SG 2.02Å; C479-C495 PolarHBondContact SG-SG 2.84Å
480L77.1Confident70.2Confident85 Ų8583 Ų8345%0.44549%0.492SS..  trans-100.9171.4-173.7-57.9172.8000111.4G482 G483 Q505 C506 Q507L480-G482 VanDerWaalsContact C-N 3.28Å; L480-G482 PolarHBondContact O-N 2.84Å; L480-G483 PolarHBondContact O-N 3.12Å; L480-Q505 WeakPolarHBondContact CA-O 3.37Å; L480-Q505 WeakPolarHBondContact CB-O 3.42Å; L480-Q505 PolarHBondContact N-O 2.87Å; L480-C506 WeakPolarHBondContact O-CB 3.41Å; L480-Q507 HydrophobicContact CD1-CB 4.33Å
481N72.7Confident69.8Low78 Ų7880.7 Ų80.742%0.41749%0.486SS..THydrogen-bonded Turntrans50.641.8175.2-58.1-41000114.6G483 Y501 C506N481-G483 VanDerWaalsContact C-N 3.28Å; N481-G483 PolarHBondContact O-N 3.27Å; N481-Y501 HydrophobicContact CB-CD1 3.81Å; N481-Y501 HydrophobicContact CB-CE1 3.92Å; N481-Y501 HydrophobicContact CB-CG 4.12Å; N481-C506 WeakPolarHBondContact CB-O 3.13Å; N481-C506 PolarHBondContact ND2-O 2.77Å
482G72.6Confident69.7Low73 Ų7382.6 Ų82.675%0.75349%0.492SS*.THydrogen-bonded Turntrans75.511.7179.100000114.6L480L480-G482 VanDerWaalsContact C-N 3.28Å; L480-G482 PolarHBondContact O-N 2.84Å
483G79.3Confident69.8Low13 Ų1379.9 Ų79.913%0.13448%0.481CS..PPolyproline II helixtrans-66.7138175.700000112.6C479 L480 N481 L496C479-G483 VanDerWaalsContact CB-O 3.26Å; C479-G483 WeakPolarHBondContact CB-O 3.18Å; L480-G483 PolarHBondContact O-N 3.12Å; N481-G483 VanDerWaalsContact C-N 3.28Å; N481-G483 PolarHBondContact O-N 3.27Å; G483-L496 CarbonylContact C-O 3.46Å; G483-L496 WeakPolarHBondContact CA-O 2.97Å
484T79.4Confident70.3Confident92 Ų9274.9 Ų74.956%0.56447%0.469SS*.EExtended strand (participates in β ladder)trans-90.2126.1180-55.70000110.6L496T484-L496 PolarHBondContact N-O 3.02Å; T484-L496 VanDerWaalsContact N-O 3.08Å; T484-L496 PolarHBondContact O-N 2.82Å; T484-L496 VanDerWaalsContact O-N 3.1Å
485C78.4Confident70.9Confident40 Ų4074.5 Ų74.527%0.2747%0.467SS..EExtended strand (participates in β ladder)trans-85.3124.6178.8-170.10000111.2C474 C479 P493C474-C485 VanDerWaalsContact SG-SG 3.69Å; C479-C485 HydrophobicContact CB-CB 4.44Å; C479-C485 WeakPolarHBondContact SG-CA 3.43Å; C479-C485 WeakPolarHBondContact SG-CB 3.25Å; C485-P493 VanDerWaalsContact SG-CB 3.55Å
486T76.3Confident71.5Confident59 Ų5976.1 Ų76.136%0.36246%0.463SS..EExtended strand (participates in β ladder)trans-123.6148.2174.759.90000110.6G488 T494T486-G488 PolarHBondContact O-N 2.95Å; T486-G488 VanDerWaalsContact O-N 3.13Å; T486-T494 PolarHBondContact N-O 3.5Å; T486-T494 PolarHBondContact O-N 3.13Å; T486-T494 PolarHBondContact OG1-O 3.15Å
487H71.4Confident72.1Confident131 Ų13174.2 Ų74.261%0.60645%0.45SS*.EExtended strand (participates in β ladder)trans-71.8106.1170.9-65.289.6000107.6C474C474-H487 VanDerWaalsContact SG-CE1 3.5Å; C474-H487 PolarHBondContact SG-NE2 3.31Å
488G64.3Low72.7Confident9 Ų969 Ų699%0.09343%0.432CS..  trans-64.7162.5176.100000111.4T486 T490 G491 K492T486-G488 PolarHBondContact O-N 2.95Å; T486-G488 VanDerWaalsContact O-N 3.13Å; G488-T490 PolarHBondContact O-N 3.34Å; G488-G491 PolarHBondContact O-N 2.87Å; G488-K492 PolarHBondContact N-O 3.13Å
489P57.3Low72.5Confident145 Ų14571.7 Ų71.794%0.94246%0.456SS*.THydrogen-bonded Turntrans-60.4-13.1-176.920.6-30.4000114.5
490T58.9Low72Confident116 Ų11678.7 Ų78.771%0.71249%0.487SS*.THydrogen-bonded Turntrans-101.213.8174.364.20000113.8G488 K492G488-T490 PolarHBondContact O-N 3.34Å; T490-K492 PolarHBondContact O-N 2.81Å
491G61.8Low71.9Confident53 Ų5378.9 Ų78.955%0.54648%0.482SS..SBendtrans70.412.7-179.600000115.1G488G488-G491 PolarHBondContact O-N 2.87Å
492K61.9Low71.9Confident151 Ų15177.9 Ų77.966%0.65748%0.482SS*.SBendtrans-100.5141.3173.2-73.5-174.9178.1-179.60110.6G488 T490 T494G488-K492 PolarHBondContact N-O 3.13Å; T490-K492 PolarHBondContact O-N 2.81Å; K492-T494 PolarHBondContact O-N 2.87Å; K492-T494 PolarHBondContact O-OG1 2.91Å
493P69.7Low71.9Confident57 Ų5776.1 Ų76.137%0.3746%0.463SS..EExtended strand (participates in β ladder)trans-64.4127.7178.126.5-32.5000109.8P478 C485P478-P493 HydrophobicContact CG-CB 3.88Å; P478-P493 HydrophobicContact CG-CG 4.16Å; C485-P493 VanDerWaalsContact SG-CB 3.55Å
494T75.1Confident71.7Confident67 Ų6780.2 Ų80.241%0.41149%0.49SS..EExtended strand (participates in β ladder)trans-120.3129.7178.9-52.80000109.1T486 K492T486-T494 PolarHBondContact N-O 3.5Å; T486-T494 PolarHBondContact O-N 3.13Å; T486-T494 PolarHBondContact OG1-O 3.15Å; K492-T494 PolarHBondContact O-N 2.87Å; K492-T494 PolarHBondContact O-OG1 2.91Å
495C80.6Confident71.5Confident19 Ų1980 Ų8013%0.12848%0.482CS..EExtended strand (participates in β ladder)trans-100.5131.2-174.7-59.30000111.9C479 S504C479-C495 WeakPolarHBondContact CA-SG 3.35Å; C479-C495 HydrophobicContact CB-CB 3.68Å; C479-C495 WeakPolarHBondContact CB-SG 3.34Å; C479-C495 WeakPolarHBondContact SG-CA 3.04Å; C479-C495 WeakPolarHBondContact SG-CB 3.33Å; C479-C495 CovalentContact SG-SG 2.02Å; C479-C495 PolarHBondContact SG-SG 2.84Å; C495-S504 WeakPolarHBondContact CB-O 3.47Å
496L79.9Confident71.5Confident112 Ų11278 Ų7859%0.58647%0.469SS*.EExtended strand (participates in β ladder)trans-101.9124.9171.5-63.5171.6000109.7G483 T484G483-L496 CarbonylContact C-O 3.46Å; G483-L496 WeakPolarHBondContact CA-O 2.97Å; T484-L496 PolarHBondContact N-O 3.02Å; T484-L496 VanDerWaalsContact N-O 3.08Å; T484-L496 PolarHBondContact O-N 2.82Å; T484-L496 VanDerWaalsContact O-N 3.1Å
497C80.2Confident71.5Confident55 Ų5579 Ų7937%0.37247%0.47SS..PPolyproline II helixtrans-99.6146.8-168.2-51.70000114.5G503 C506C497-G503 PolarHBondContact SG-O 2.88Å; C497-C506 WeakPolarHBondContact CA-SG 3.09Å; C497-C506 HydrophobicContact CB-CB 3.57Å; C497-C506 WeakPolarHBondContact CB-SG 3.25Å; C497-C506 WeakPolarHBondContact SG-CA 3.39Å; C497-C506 WeakPolarHBondContact SG-CB 3.02Å; C497-C506 CovalentContact SG-SG 2.03Å; C497-C506 PolarHBondContact SG-SG 3.34Å
498A76.2Confident71.7Confident49 Ų4976.9 Ų76.941%0.40546%0.463SS..PPolyproline II helixtrans-78.9158175.600000112.7H500 Y501A498-H500 PolarHBondContact O-N 3.25Å; A498-Y501 PolarHBondContact O-N 2.85Å; A498-Y501 VanDerWaalsContact O-N 3.1Å
499A69.6Low72Confident83 Ų8380 Ų8069%0.68648%0.484SS*.THydrogen-bonded Turntrans-56.5136.7-176.700000112.1
500H69.4Low72.3Confident165 Ų16579.4 Ų79.476%0.76447%0.472SS*.THydrogen-bonded Turntrans78.12.5-171.9-47.8-74.9000116.9A498A498-H500 PolarHBondContact O-N 3.25Å
501Y74.5Confident71.9Confident90 Ų9083.5 Ų83.535%0.35348%0.483SS..EExtended strand (participates in β ladder)trans-117.9144.6172.4-65.1-90000113.5N481 A498 N508 S509N481-Y501 HydrophobicContact CB-CD1 3.81Å; N481-Y501 HydrophobicContact CB-CE1 3.92Å; N481-Y501 HydrophobicContact CB-CG 4.12Å; A498-Y501 PolarHBondContact O-N 2.85Å; A498-Y501 VanDerWaalsContact O-N 3.1Å; Y501-N508 CarbonylContact C-O 3.56Å; Y501-N508 WeakPolarHBondContact CA-O 3.12Å; Y501-S509 VanDerWaalsContact CE1-CB 3.5Å
502S73.5Confident71.3Confident57 Ų5789.8 Ų89.840%0.39950%0.498SS..EExtended strand (participates in β ladder)trans-141.8162.5179.563.20000113C506 Q507 N508S502-C506 CarbonylContact O-C 3.44Å; S502-Q507 PolarHBondContact O-N 3.02Å; S502-N508 PolarHBondContact N-O 3.06Å; S502-N508 WeakPolarHBondContact O-CB 3.42Å; S502-N508 PolarHBondContact O-N 2.87Å
503G72.8Confident70.3Confident36 Ų3688 Ų8837%0.37151%0.505SS..SBendtrans115.6162.8-178.700000113.8C497 Q505 C506C497-G503 PolarHBondContact SG-O 2.88Å; G503-Q505 PolarHBondContact O-N 3.05Å; G503-Q505 VanDerWaalsContact O-N 3.13Å; G503-C506 PolarHBondContact O-N 3.48Å
504S73.8Confident68.6Low99 Ų9990 Ų9069%0.69253%0.526SS*.THydrogen-bonded Turntrans-63.8-16.6-175.856.50000114.8C495C495-S504 WeakPolarHBondContact CB-O 3.47Å
505Q75.8Confident66.5Low86 Ų8694.7 Ų94.740%0.40255%0.549SS..THydrogen-bonded Turntrans-12516.7172.6-64.7-178.1-17.700111.6P478 L480 G503 Q507P478-Q505 WeakPolarHBondContact O-CG 2.97Å; L480-Q505 WeakPolarHBondContact CA-O 3.37Å; L480-Q505 WeakPolarHBondContact CB-O 3.42Å; L480-Q505 PolarHBondContact N-O 2.87Å; G503-Q505 PolarHBondContact O-N 3.05Å; G503-Q505 VanDerWaalsContact O-N 3.13Å; Q505-Q507 VanDerWaalsContact C-N 3.3Å; Q505-Q507 VanDerWaalsContact C-OE1 3.29Å; Q505-Q507 PolarHBondContact O-N 2.85Å
506C77.8Confident64.1Low0 Ų097.6 Ų97.60%057%0.574CS.*SBendtrans63.429.9-179-460000114.9L480 N481 C497 S502 G503L480-C506 WeakPolarHBondContact O-CB 3.41Å; N481-C506 WeakPolarHBondContact CB-O 3.13Å; N481-C506 PolarHBondContact ND2-O 2.77Å; C497-C506 WeakPolarHBondContact CA-SG 3.09Å; C497-C506 HydrophobicContact CB-CB 3.57Å; C497-C506 WeakPolarHBondContact CB-SG 3.25Å; C497-C506 WeakPolarHBondContact SG-CA 3.39Å; C497-C506 WeakPolarHBondContact SG-CB 3.02Å; C497-C506 CovalentContact SG-SG 2.03Å; C497-C506 PolarHBondContact SG-SG 3.34Å; S502-C506 CarbonylContact O-C 3.44Å; G503-C506 PolarHBondContact O-N 3.48Å
507Q76.8Confident61.8Low79 Ų7997.8 Ų97.837%0.36958%0.584SS.*  trans-81.5-18.6-166.866.7-88.826.400116.1L480 S502 Q505L480-Q507 HydrophobicContact CD1-CB 4.33Å; S502-Q507 PolarHBondContact O-N 3.02Å; Q505-Q507 VanDerWaalsContact C-N 3.3Å; Q505-Q507 VanDerWaalsContact C-OE1 3.29Å; Q505-Q507 PolarHBondContact O-N 2.85Å
508N76Confident59.8Low86 Ų86100.3 Ų100.346%0.4660%0.603SS.*EExtended strand (participates in β ladder)trans-102.5130.9-170.8-64.7-5.7000112.7Y501 S502Y501-N508 CarbonylContact C-O 3.56Å; Y501-N508 WeakPolarHBondContact CA-O 3.12Å; S502-N508 PolarHBondContact N-O 3.06Å; S502-N508 WeakPolarHBondContact O-CB 3.42Å; S502-N508 PolarHBondContact O-N 2.87Å
509S71.1Confident58.4Low76 Ų76102.8 Ų102.853%0.53161%0.614SS.*EExtended strand (participates in β ladder)trans-115.6142.3174.7-173.80000111.6Y501Y501-S509 VanDerWaalsContact CE1-CB 3.5Å
510N63Low56.5Low132 Ų132105.5 Ų105.571%0.70662%0.618SS**  trans-11690.4-172.7-75.2-15.6000114.4
511Q51.8Low54.5Low202 Ų202103.7 Ų103.794%0.94462%0.618SS**  trans176.3151.4139.2-107.5178.6-20.900115.2
512H48.6Very low52.4Low185 Ų185104.1 Ų104.186%0.85664%0.635SS**  trans-73.9146.6-179.3-82.2-9.7000116.5
513S40Very low50.3Low114 Ų114106 Ų10680%0.79765%0.647SS**  153.3135.1121.5-65.10000114.5
514A35.4Very low48.4Very low98 Ų98113 Ų11381%0.8167%0.671SS**  trans54.9117.1144.700000123.7
515D31Very low47Very low166 Ų166112.8 Ų112.889%0.88867%0.667SS**  79.2141.9129.6-116.7-14.9000124.4
516A30.1Very low44.9Very low79 Ų79113.8 Ų113.865%0.65368%0.683SS**  trans72.6113.3156.200000122.6
517S31.1Very low42.7Very low116 Ų116123 Ų12381%0.81173%0.726SS**  trans78.3127.6133.657.70000122.8
518S38.6Very low40.5Very low108 Ų108128.6 Ų128.676%0.75575%0.75SS**  trans-33158.5155.5-168.60000115.4
519P45.5Very low38.2Very low101 Ų101132.6 Ų132.666%0.65677%0.77SS**  -155.3157117.828.2-5.6000119.5
520N29.6Very low36.6Very low141 Ų141136 Ų13675%0.75478%0.782SS**  trans72.8130.8137.5-60.6-10.7000120.4
521T28.6Very low34.9Very low126 Ų126137.9 Ų137.977%0.77379%0.791SS**  -165.6121.874.914.90000108.8
522S30.6Very low34.1Very low100 Ų100134.6 Ų134.670%0.69979%0.785SS**  70.5141.576.386.50000112.5
523S28.9Very low33.5Very low95 Ų95130 Ų13066%0.66478%0.778SS**  cis172.1125.624.323.90000106.3
524E31.4Very low33.3Very low184 Ų184131.1 Ų131.186%0.8678%0.78SS**  90.2173.692.6-95.5-151.8159.700115
525P46.1Very low34.2Very low94 Ų94129.6 Ų129.661%0.6178%0.775SS**  cis-144.9172.9-13.324.6-0000118.8
526S30.5Very low35.1Very low108 Ų108129.9 Ų129.976%0.75578%0.775SS**  trans76140.3139.371.20000120.5
527E31.8Very low36Very low192 Ų192128.2 Ų128.290%0.89777%0.766SS**  cis-156.3164.536.6-142.8176.6-171.400113.6
528K31.4Very low36.9Very low198 Ų198128.2 Ų128.286%0.86176%0.761SS**  trans-91.8155.9-173.6-60.9172.4175.5176.20112.6
529L27.9Very low37.5Very low170 Ų170125.5 Ų125.589%0.8975%0.749SS**  -171.2142.6120.2-148.865000113.7
530N35.5Very low37.8Very low146 Ų146126 Ų12678%0.78175%0.746SS**  trans-78.8150.8173.4-65.2-57000112.8
531L27.6Very low39.2Very low173 Ų173123.5 Ų123.591%0.90674%0.736SS**  -166.4136125.4-141.477.8000113.5
532V35.9Very low40.8Very low133 Ų133122.3 Ų122.381%0.80672%0.723SS**  trans-79.9158.9166.5164.80000110.4
533A36.3Very low42.4Very low87 Ų87121.4 Ų121.472%0.71971%0.714SS**  trans84.1119.3174.900000113.7
534V35.9Very low44.1Very low138 Ų138121.4 Ų121.484%0.83671%0.706SS**  -149115.556171.30000110.1
535G54.5Low46.1Very low67 Ų67116.8 Ų116.869%0.69169%0.69SS**  trans-84.1134.9152.400000108.2
536L49.4Very low47.3Very low171 Ų171117.5 Ų117.590%0.89569%0.688SS**SBendtrans154.748.6156.5-83.6167.2000112.1
537G47.8Very low49.2Very low45 Ų45116.8 Ų116.846%0.46468%0.675SS.*SBendtrans-150.6-37.917500000115.2
538V51Low51Low116 Ų116111.4 Ų111.470%0.70366%0.658SS**Hα-helixtrans-88.4-25.3-170.4-173.90000113.1
539G51.3Low53.1Low50 Ų50107.6 Ų107.652%0.51565%0.645SS.*Hα-helixtrans-72.5-30.517600000114.1V543G539-V543 WeakPolarHBondContact O-CG2 3.39Å; G539-V543 PolarHBondContact O-N 3.06Å; G539-V543 VanDerWaalsContact O-N 3.17Å
540L52.5Low55.2Low111 Ų111102.9 Ų102.958%0.58162%0.623SS**Hα-helixtrans-73.4-33.1-177.1-122.1156.4000111.9L544L540-L544 HydrophobicContact CD2-CD1 3.98Å; L540-L544 HydrophobicContact CD2-CG 4.31Å; L540-L544 WeakPolarHBondContact O-CB 3.13Å; L540-L544 WeakPolarHBondContact O-CD1 3.38Å; L540-L544 VanDerWaalsContact O-CG 3.25Å; L540-L544 WeakPolarHBondContact O-CG 3.45Å; L540-L544 PolarHBondContact O-N 3.35Å
541V57.3Low57.2Low89 Ų89100 Ų10054%0.53961%0.61SS.*Hα-helixtrans-70.5-38.8176.8-179.10000111.1L544 V545V541-L544 PolarHBondContact O-N 2.88Å; V541-V545 HydrophobicContact CG1-CG2 4.47Å; V541-V545 WeakPolarHBondContact O-CB 3.34Å; V541-V545 VanDerWaalsContact O-CG2 3.24Å; V541-V545 WeakPolarHBondContact O-CG2 3.34Å; V541-V545 PolarHBondContact O-N 2.82Å
542I62.5Low59.5Low101 Ų10195.5 Ų95.552%0.51859%0.59SS.*Hα-helixtrans-68.2-40.2177.9-63.4171.7000110.8V545 L546I542-V545 PolarHBondContact O-N 2.91Å; I542-L546 HydrophobicContact CG2-CD1 4.17Å; I542-L546 VanDerWaalsContact O-CG 3.29Å; I542-L546 WeakPolarHBondContact O-CG 3.45Å; I542-L546 PolarHBondContact O-N 3.2Å
543V64.9Low61.3Low82 Ų8293.9 Ų93.950%0.49758%0.576SS.*Hα-helixtrans-68.3-37.7175.9173.70000111.8G539 L546 L547G539-V543 WeakPolarHBondContact O-CG2 3.39Å; G539-V543 PolarHBondContact O-N 3.06Å; G539-V543 VanDerWaalsContact O-N 3.17Å; V543-L546 PolarHBondContact O-N 3.43Å; V543-L547 HydrophobicContact CG1-CD1 3.97Å; V543-L547 WeakPolarHBondContact O-CB 3.25Å; V543-L547 WeakPolarHBondContact O-CG 2.96Å; V543-L547 PolarHBondContact O-N 3.37Å
544L64.6Low63.1Low95 Ų9594.1 Ų94.150%0.49757%0.568SS.*Hα-helixtrans-69-36.5175.8-77.4167.3000112.7L540 V541 L547 C548L540-L544 HydrophobicContact CD2-CD1 3.98Å; L540-L544 HydrophobicContact CD2-CG 4.31Å; L540-L544 WeakPolarHBondContact O-CB 3.13Å; L540-L544 WeakPolarHBondContact O-CD1 3.38Å; L540-L544 VanDerWaalsContact O-CG 3.25Å; L540-L544 WeakPolarHBondContact O-CG 3.45Å; L540-L544 PolarHBondContact O-N 3.35Å; V541-L544 PolarHBondContact O-N 2.88Å; L544-L547 PolarHBondContact O-N 3.47Å; L544-C548 WeakPolarHBondContact O-CB 3.3Å; L544-C548 PolarHBondContact O-N 3.39Å; L544-C548 PolarHBondContact O-SG 2.89Å; L544-C548 VanDerWaalsContact O-SG 3.36Å
545V72.5Confident64.4Low87 Ų8791 Ų9153%0.52755%0.551SS.*Hα-helixtrans-67.3-41.6174.7171.40000110.7V541 I542 C548 M549V541-V545 HydrophobicContact CG1-CG2 4.47Å; V541-V545 WeakPolarHBondContact O-CB 3.34Å; V541-V545 VanDerWaalsContact O-CG2 3.24Å; V541-V545 WeakPolarHBondContact O-CG2 3.34Å; V541-V545 PolarHBondContact O-N 2.82Å; I542-V545 PolarHBondContact O-N 2.91Å; V545-C548 PolarHBondContact O-N 2.99Å; V545-M549 VanDerWaalsContact O-CG 3.25Å; V545-M549 WeakPolarHBondContact O-CG 2.99Å; V545-M549 PolarHBondContact O-N 3.18Å
546L71.1Confident64.8Low108 Ų10892.3 Ų92.357%0.56554%0.543SS*.Hα-helixtrans-66.1-40.1175.6-69.9171.4000111.9I542 V543 M549 T550I542-L546 HydrophobicContact CG2-CD1 4.17Å; I542-L546 VanDerWaalsContact O-CG 3.29Å; I542-L546 WeakPolarHBondContact O-CG 3.45Å; I542-L546 PolarHBondContact O-N 3.2Å; V543-L546 PolarHBondContact O-N 3.43Å; L546-M549 PolarHBondContact O-N 2.02Å; L546-T550 WeakPolarHBondContact O-CG2 3.49Å; L546-T550 PolarHBondContact O-N 2.89Å; L546-T550 PolarHBondContact O-OG1 2.86Å
547L72.4Confident65.5Low93 Ų9390.9 Ų90.949%0.48753%0.529SS..Hα-helixtrans-64.1-43.8173.9-80.5165.8000111.9V543 L544 M549 T550 V551V543-L547 HydrophobicContact CG1-CD1 3.97Å; V543-L547 WeakPolarHBondContact O-CB 3.25Å; V543-L547 WeakPolarHBondContact O-CG 2.96Å; V543-L547 PolarHBondContact O-N 3.37Å; L544-L547 PolarHBondContact O-N 3.47Å; L547-M549 VanDerWaalsContact C-N 3.33Å; L547-M549 PolarHBondContact O-N 2.05Å; L547-T550 WeakPolarHBondContact CA-OG1 3.44Å; L547-T550 PolarHBondContact O-N 3.13Å; L547-T550 PolarHBondContact O-OG1 2.94Å; L547-V551 WeakPolarHBondContact O-CG2 3.13Å; L547-V551 PolarHBondContact O-N 3.38Å
548C68.9Low66Low80 Ų8095 Ų9554%0.54154%0.535SS..Hα-helixtrans-61-40.4174.7-77.80000112.2L544 V545 V551 V552L544-C548 WeakPolarHBondContact O-CB 3.3Å; L544-C548 PolarHBondContact O-N 3.39Å; L544-C548 PolarHBondContact O-SG 2.89Å; L544-C548 VanDerWaalsContact O-SG 3.36Å; V545-C548 PolarHBondContact O-N 2.99Å; C548-V551 PolarHBondContact O-N 2.03Å; C548-V552 VanDerWaalsContact O-CG2 3.29Å; C548-V552 WeakPolarHBondContact O-CG2 3.44Å; C548-V552 PolarHBondContact O-N 3.33Å
549M74.5Confident66Low117 Ų11795.9 Ų95.958%0.57653%0.529SS*.Hα-helixtrans-66-38.9176.1-69-65.1-86.700111.8V545 L546 L547 V552 I553V545-M549 VanDerWaalsContact O-CG 3.25Å; V545-M549 WeakPolarHBondContact O-CG 2.99Å; V545-M549 PolarHBondContact O-N 3.18Å; L546-M549 PolarHBondContact O-N 2.02Å; L547-M549 VanDerWaalsContact C-N 3.33Å; L547-M549 PolarHBondContact O-N 2.05Å; M549-V552 PolarHBondContact O-N 3.1Å; M549-I553 WeakPolarHBondContact O-CD1 3.19Å; M549-I553 VanDerWaalsContact O-CG1 3.25Å; M549-I553 WeakPolarHBondContact O-CG1 3.27Å; M549-I553 PolarHBondContact O-N 3.16Å
550T72.6Confident66.1Low72 Ų72100.2 Ų100.244%0.44254%0.536SS..Hα-helixtrans-67-38173.961.40000112.5L546 L547 I553 V554L546-T550 WeakPolarHBondContact O-CG2 3.49Å; L546-T550 PolarHBondContact O-N 2.89Å; L546-T550 PolarHBondContact O-OG1 2.86Å; L547-T550 WeakPolarHBondContact CA-OG1 3.44Å; L547-T550 PolarHBondContact O-N 3.13Å; L547-T550 PolarHBondContact O-OG1 2.94Å; T550-I553 PolarHBondContact O-N 3.3Å; T550-V554 WeakPolarHBondContact O-CB 3.3Å; T550-V554 VanDerWaalsContact O-CG2 3.23Å; T550-V554 WeakPolarHBondContact O-CG2 3.29Å; T550-V554 PolarHBondContact O-N 2.75Å
551V78.4Confident66.1Low84 Ų84104.2 Ų104.251%0.50954%0.543SS..Hα-helixtrans-66.6-38.6174.9172.10000111L547 C548 V554 C555L547-V551 WeakPolarHBondContact O-CG2 3.13Å; L547-V551 PolarHBondContact O-N 3.38Å; C548-V551 PolarHBondContact O-N 2.03Å; V551-V554 PolarHBondContact O-N 3.29Å; V551-C555 WeakPolarHBondContact O-CB 3Å; V551-C555 PolarHBondContact O-N 3.49Å; V551-C555 PolarHBondContact O-SG 3.08Å
552V75.3Confident65.6Low79 Ų79104.2 Ų104.248%0.47954%0.54SS..Hα-helixtrans-66.2-39.7174.9170.90000111.4C548 M549 C555 N556C548-V552 VanDerWaalsContact O-CG2 3.29Å; C548-V552 WeakPolarHBondContact O-CG2 3.44Å; C548-V552 PolarHBondContact O-N 3.33Å; M549-V552 PolarHBondContact O-N 3.1Å; V552-C555 PolarHBondContact O-N 2.03Å; V552-N556 VanDerWaalsContact O-CB 3.31Å; V552-N556 WeakPolarHBondContact O-CB 2.99Å; V552-N556 PolarHBondContact O-N 2.97Å
553I73.5Confident64.8Low99 Ų99107.4 Ų107.451%0.50855%0.55SS.*Hα-helixtrans-67.2-41.2175.5-68165.5000111M549 T550 N556 K557M549-I553 WeakPolarHBondContact O-CD1 3.19Å; M549-I553 VanDerWaalsContact O-CG1 3.25Å; M549-I553 WeakPolarHBondContact O-CG1 3.27Å; M549-I553 PolarHBondContact O-N 3.16Å; T550-I553 PolarHBondContact O-N 3.3Å; I553-N556 PolarHBondContact O-N 3.4Å; I553-K557 WeakPolarHBondContact O-CB 3.42Å; I553-K557 PolarHBondContact O-N 3.42Å
554V74.4Confident63.8Low93 Ų93110.8 Ų110.856%0.56456%0.56SS**Hα-helixtrans-69.2-39.2176.6171.40000111.2T550 V551 K557 K558T550-V554 WeakPolarHBondContact O-CB 3.3Å; T550-V554 VanDerWaalsContact O-CG2 3.23Å; T550-V554 WeakPolarHBondContact O-CG2 3.29Å; T550-V554 PolarHBondContact O-N 2.75Å; V551-V554 PolarHBondContact O-N 3.29Å; V554-K557 PolarHBondContact O-N 3.12Å; V554-K558 VanDerWaalsContact O-CB 3.22Å; V554-K558 WeakPolarHBondContact O-CB 3.45Å; V554-K558 PolarHBondContact O-N 2.72Å
555C62.8Low62.8Low71 Ų71112.2 Ų112.248%0.4857%0.568SS.*Hα-helixtrans-69.2-35.2174.8-76.30000112.3V551 V552 K558 K559V551-C555 WeakPolarHBondContact O-CB 3Å; V551-C555 PolarHBondContact O-N 3.49Å; V551-C555 PolarHBondContact O-SG 3.08Å; V552-C555 PolarHBondContact O-N 2.03Å; C555-K558 PolarHBondContact O-N 3.01Å; C555-K559 WeakPolarHBondContact O-CB 3.3Å; C555-K559 PolarHBondContact O-N 3.05Å
556N62.6Low61.2Low96 Ų96115.3 Ų115.351%0.51358%0.582SS.*Hα-helixtrans-71.4-37.9172.6-86.1-16000112.1V552 I553 K559 Q560V552-N556 VanDerWaalsContact O-CB 3.31Å; V552-N556 WeakPolarHBondContact O-CB 2.99Å; V552-N556 PolarHBondContact O-N 2.97Å; I553-N556 PolarHBondContact O-N 3.4Å; N556-K559 PolarHBondContact O-N 3.29Å; N556-Q560 WeakPolarHBondContact O-CB 3.45Å; N556-Q560 PolarHBondContact O-N 3.36Å
557K64.6Low59.8Low140 Ų140114.7 Ų114.761%0.60959%0.586SS**Hα-helixtrans-67-34.6170.7-82.5-169171.5-177.20112.6I553 V554 R561I553-K557 WeakPolarHBondContact O-CB 3.42Å; I553-K557 PolarHBondContact O-N 3.42Å; V554-K557 PolarHBondContact O-N 3.12Å; K557-R561 PolarHBondContact O-N 2.81Å
558K59.3Low58.3Low132 Ų132117.7 Ų117.757%0.57460%0.596SS**Hα-helixtrans-71.6-39.7174.6-167.9170-178.4173.70111.5V554 C555 R561 D562V554-K558 VanDerWaalsContact O-CB 3.22Å; V554-K558 WeakPolarHBondContact O-CB 3.45Å; V554-K558 PolarHBondContact O-N 2.72Å; C555-K558 PolarHBondContact O-N 3.01Å; K558-R561 CarbonylContact O-C 3.44Å; K558-R561 PolarHBondContact O-N 2.96Å; K558-D562 WeakPolarHBondContact O-CB 3.49Å; K558-D562 VanDerWaalsContact O-CG 3.23Å; K558-D562 PolarHBondContact O-N 2.79Å
559K50.7Low57.1Low135 Ų135119.8 Ų119.859%0.58761%0.606SS**Hα-helixtrans-69.2-30.3173.5-168.7174-176.5177.70113C555 N556 K563C555-K559 WeakPolarHBondContact O-CB 3.3Å; C555-K559 PolarHBondContact O-N 3.05Å; N556-K559 PolarHBondContact O-N 3.29Å; K559-K563 WeakPolarHBondContact O-CB 3.46Å; K559-K563 PolarHBondContact O-N 3.42Å; K559-K563 VanDerWaalsContact O-N 3.09Å
560Q53.5Low55.2Low140 Ų140122 Ų12265%0.65462%0.617SS**Hα-helixtrans-70.5-41167.9-87.2-176.9-34.900111.7N556 K563 E564N556-Q560 WeakPolarHBondContact O-CB 3.45Å; N556-Q560 PolarHBondContact O-N 3.36Å; Q560-K563 PolarHBondContact O-N 3Å; Q560-E564 WeakPolarHBondContact O-CB 3.38Å; Q560-E564 PolarHBondContact O-N 2.94Å
561R51.5Low53.3Low195 Ų195124.8 Ų124.874%0.73663%0.629SS**Hα-helixtrans-64.2-37.1172.6-83.5-171.2-174.7163.11.2113.4K557 K558 E564 L565K557-R561 PolarHBondContact O-N 2.81Å; K558-R561 CarbonylContact O-C 3.44Å; K558-R561 PolarHBondContact O-N 2.96Å; R561-E564 PolarHBondContact O-N 2.96Å; R561-L565 WeakPolarHBondContact O-CB 3.39Å; R561-L565 PolarHBondContact O-N 2.04Å
562D47.3Very low51.6Low89 Ų89128.4 Ų128.448%0.47665%0.646SS.*Hα-helixtrans-76.4-29.2179.4-66.5-19.8000111.8K558 E564 L565 D566K558-D562 WeakPolarHBondContact O-CB 3.49Å; K558-D562 VanDerWaalsContact O-CG 3.23Å; K558-D562 PolarHBondContact O-N 2.79Å; D562-E564 VanDerWaalsContact C-N 3.3Å; D562-L565 PolarHBondContact O-N 3.31Å; D562-D566 PolarHBondContact O-N 2.64Å
563K45.1Very low49.3Very low168 Ų168129 Ų12973%0.7365%0.653SS**Hα-helixtrans-73.8-19.3167.9-87.4-171.7172.4-172.90113.8K559 Q560K559-K563 WeakPolarHBondContact O-CB 3.46Å; K559-K563 PolarHBondContact O-N 3.42Å; K559-K563 VanDerWaalsContact O-N 3.09Å; Q560-K563 PolarHBondContact O-N 3Å
564E44.2Very low47.5Very low153 Ų153130.1 Ų130.172%0.71567%0.67SS**Hα-helixtrans-90.7-15.3173.8-159164.6-172.900112.3Q560 R561 D562Q560-E564 WeakPolarHBondContact O-CB 3.38Å; Q560-E564 PolarHBondContact O-N 2.94Å; R561-E564 PolarHBondContact O-N 2.96Å; D562-E564 VanDerWaalsContact C-N 3.3Å
565L43.7Very low45.3Very low125 Ų125136 Ų13665%0.65468%0.682SS**Hα-helixtrans-88.4-19.3177.3-161.467000114.1R561 D562R561-L565 WeakPolarHBondContact O-CB 3.39Å; R561-L565 PolarHBondContact O-N 2.04Å; D562-L565 PolarHBondContact O-N 3.31Å
566D38.8Very low43.6Very low153 Ų153139.7 Ų139.782%0.81869%0.694SS**SBendtrans-91.7-4.7175.2-111.4-5.2000114.2D562D562-D566 PolarHBondContact O-N 2.64Å
567S42.2Very low41.9Very low95 Ų95140.3 Ų140.366%0.66470%0.697SS**SBendtrans-96.6-4.9174.3-174.30000113.9
568K40.4Very low40.1Very low156 Ų156141.6 Ų141.668%0.67870%0.703SS**  trans-137.856.5177.7-78.3-174.5178.5175.40112.4
569T43.8Very low38.4Very low123 Ų123143.6 Ų143.676%0.75571%0.714SS**SBendtrans-120.862.9141.2-47.30000108.9
570M35.2Very low37.3Very low163 Ų163145.4 Ų145.480%0.80372%0.722SS**SBendtrans-171.5128.9138.8-103.4163.389.200108
571N33.2Very low35.9Very low132 Ų132146.4 Ų146.471%0.70673%0.727SS**  trans86117.5172.9-61.6-12.9000117.3S573N571-S573 PolarHBondContact O-N 2.88Å
572N40.8Very low34.7Very low160 Ų160143.5 Ų143.586%0.85673%0.726SS**  4287.1109-148.821.4000114.1
573S27.9Very low33.6Very low91 Ų91147.8 Ų147.864%0.63675%0.748SS**  trans-179.8122.5145.9-82.40000109N571N571-S573 PolarHBondContact O-N 2.88Å
574S34.8Very low32.6Very low122 Ų122147.8 Ų147.885%0.85375%0.754SS**  trans39.3112.4154.149.40000119.8
575R29.2Very low31.8Very low218 Ų218145.1 Ų145.182%0.82375%0.752SS**  trans-121.4111.7160-173175.7172.9170.3-1.5106.5
576M26.9Very low31.1Very low148 Ų148144 Ų14473%0.72976%0.755SS**  57.5122.789.6-118.2-173.391.500112.6F578M576-F578 HydrophobicContact CE-CD2 4.26Å; M576-F578 HydrophobicContact CE-CE2 4.2Å
577D27.1Very low30.7Very low108 Ų108142.4 Ų142.458%0.57875%0.75SS**  -177.5156.4101.5-79.8-23.3000107
578F26Very low30Very low168 Ų168145.6 Ų145.674%0.73776%0.755SS**  cis-173.4148.72.2-136.8-106.5000107.3M576M576-F578 HydrophobicContact CE-CD2 4.26Å; M576-F578 HydrophobicContact CE-CE2 4.2Å
579Q25Very low29.3Very low173 Ų173144.2 Ų144.281%0.80875%0.754SS**  trans-169.8146.7145.9-104.4-163.84.800106
580K27.3Very low28.4Very low174 Ų174146.7 Ų146.776%0.75775%0.754SS**  cis-170.1149.7-7.4-161.4177.4-178.2-178.40104
581E24.4Very low28Very low160 Ų160146.3 Ų146.375%0.74876%0.756SS**  trans-87.1156.8169.9-76.1-164.7164.700112.9
582N25Very low27.7Very low134 Ų134145.8 Ų145.872%0.71776%0.757SS**  trans85.2114.6146.6-61.6-32.4000120.4
583L25.6Very low27Very low179 Ų179146.1 Ų146.194%0.93776%0.759SS**  trans-131.1144.9140.4-91.3168.3000110.5
584I24.3Very low27Very low169 Ų169150.7 Ų150.787%0.86777%0.768SS**  trans-89156.9-178.3-71.8166.1000110.6
585S26Very low26.7Very low96 Ų96154.9 Ų154.967%0.67177%0.771SS**  trans-78.8155.7-173.1174.10000116.5
586S29.2Very low26.7Very low103 Ų103151 Ų15172%0.7277%0.765SS**  154.3118114.657.30000112.3
587V30.7Very low26.6Very low118 Ų118147.1 Ų147.172%0.71576%0.763SS**  76.8128.995.7173.10000111.1
588E28.2Very low26.5Very low162 Ų162149.8 Ų149.876%0.75778%0.776SS**  cis-173149.824-133.7163.3-170.300106.8
589L24.7Very low26.4Very low128 Ų128151 Ų15167%0.6778%0.784SS**  175.1128.677.4-102.2144.3000110.4
590K26Very low26.4Very low174 Ų174148.7 Ų148.776%0.75778%0.781SS**  trans42.2116.7142.6-66.3175.2-174.1174.20120.8
591N24.8Very low26.2Very low155 Ų155148 Ų14883%0.82979%0.786SS**  -170.9141.691.3-104.4-21.2000113.1
592T27.6Very low26.2Very low121 Ų121145.8 Ų145.874%0.74279%0.787SS**  trans-56.9136.7178.630.60000114.9
593N27Very low26.4Very low168 Ų168145.6 Ų145.690%0.89879%0.793SS**  -157.5133.9122.6-98-26.5000112.5
594K27.5Very low26.5Very low187 Ų187142.6 Ų142.681%0.81379%0.787SS**  trans-81.1118-168.1-174.6-179.3-176.5-178.30109.4
595K28Very low26.6Very low209 Ų209142.4 Ų142.491%0.90978%0.783SS**  trans-99.9109.9167.4-149.8174.8-174.6-178.70108.6
596I29.2Very low26.6Very low138 Ų138146.7 Ų146.771%0.70879%0.789SS**  trans-69.1130169.2-77.1162.5000107.4
597G24.3Very low26.5Very low66 Ų66145.9 Ų145.968%0.6878%0.784SS**  trans-78.1153.5175.700000112.3
598L25.6Very low26.2Very low163 Ų163146.3 Ų146.385%0.85378%0.782SS**  trans-132.496.5159.2-99.8144.3000106.3
599E23.4Very low26.2Very low194 Ų194146.2 Ų146.291%0.90778%0.781SS**  trans-71.4131.4157.9-109.4169163.700107.4
600V26.4Very low26.2Very low124 Ų124148.1 Ų148.175%0.75278%0.784SS**  trans-119.6102.7166.4-171.80000107.4
601D23Very low26.1Very low160 Ų160148.5 Ų148.586%0.85678%0.782SS**  trans-63.2132.9163.3-94.8-39.2000109.8
602C24.1Very low26.1Very low114 Ų114146.7 Ų146.777%0.7777%0.771SS**  trans-131.8139.6159.1-90.50000110.8
603P27.9Very low26Very low129 Ų129147.9 Ų147.984%0.83877%0.773SS**  trans-86.2153.3-163.21.119.3000113.1
604S28.2Very low25.9Very low117 Ų117143.3 Ų143.382%0.81875%0.754SS**  trans-78.3140.6169.3-64.60000112.4
605E27.1Very low25.8Very low165 Ų165143.9 Ų143.977%0.77175%0.753SS**  trans-163111.7140.9-108.6175.1-179.100110.3
606K25.1Very low25.6Very low185 Ų185140.5 Ų140.580%0.80474%0.74SS**  56.8133.5108.2-67.1-179-169.7159.80113.9
607S26.6Very low25.3Very low87 Ų87140 Ų14061%0.60874%0.738SS**  cis-178.7147.98.451.20000104.5
608N25.7Very low25.2Very low127 Ų127142.6 Ų142.668%0.67974%0.736SS**  177.7128.979-92.2-48.9000110.4
609H28.6Very low25Very low159 Ų159143.2 Ų143.274%0.73673%0.728SS**  trans35.9139.9130.5-59.290.9000119.4
610K23.9Very low25Very low168 Ų168141.8 Ų141.873%0.7372%0.719SS**  cis-173.8138.234.3-147.8167.5178.8-1770111.8
611Y24.6Very low25Very low183 Ų183140.5 Ų140.572%0.71872%0.716SS**  trans61.4112.1141.5-83.1-117.6000120.1
612I25Very low25.5Very low117 Ų117138.8 Ų138.860%0.671%0.714SS**  76.9106.680.7-70.2168.8000112.5
613N24.9Very low25.6Very low145 Ų145139.4 Ų139.478%0.77571%0.714SS**  172.9146.1114.8-97.7-26.8000107.5
614S25.1Very low25.4Very low73 Ų73143.6 Ų143.651%0.5171%0.713SS.*  cis168.3137.8-20.746.30000103.9
615Y25.3Very low25.2Very low199 Ų199147.1 Ų147.178%0.7871%0.709SS**  trans62.4145.1151.6-63.8-51.1000118.6
616Q23Very low25.1Very low137 Ų137146.9 Ų146.964%0.6471%0.706SS**  cis-179.4160.2-11.1-132.5169.7-36.900104.7
617L24.2Very low25.1Very low127 Ų127143.7 Ų143.767%0.66570%0.698SS**  trans54.7146.7139.3-72159.4000118.3
618D22.2Very low25.1Very low121 Ų121147.5 Ų147.565%0.64771%0.706SS**  cis-176.2164.7-16-147.1-15.7000102.8
619Y21.8Very low25.1Very low176 Ų176148.4 Ų148.469%0.6971%0.71SS**  trans75.1119.9145.9-109.1-135.3000122.1
620K23.4Very low24.9Very low164 Ų164145.4 Ų145.471%0.71371%0.707SS**  94.3109.9127.7-92.9-175.9179.1164.90119.9
621S26.3Very low25Very low97 Ų97145 Ų14568%0.67871%0.711SS**  trans-41.8159.4146.4-175.40000114
622P31.7Very low25.1Very low125 Ų125144.1 Ų144.181%0.81272%0.718SS**  -136.5156.2118.335.4-22.4000115.2
623V26.7Very low25.1Very low127 Ų127141.6 Ų141.677%0.7772%0.721SS**  trans-78.2140.3174.2177.80000111.2
624R24.2Very low25.1Very low217 Ų217144.4 Ų144.482%0.81973%0.726SS**  167150.2122.4-104-174.8-174.2173.84.8116.1
625Y23.6Very low25.2Very low191 Ų191148.2 Ų148.275%0.74974%0.741SS**  trans77.7113.2156.3-103.5-102.3000117.1
626K25.1Very low25.3Very low159 Ų159148.4 Ų148.469%0.69175%0.749SS**  99.4131.952.9-123.1-165.1179.1-159.80111.7
627D25.5Very low25.3Very low119 Ų119149 Ų14964%0.63676%0.757SS**  trans89.8118.4154.9-65.1-19.5000121
628E26.8Very low25.2Very low166 Ų166147.5 Ų147.578%0.77676%0.756SS**  93.3112.7127.5-81.5-169.7159.600122.3
629L24.9Very low25.4Very low147 Ų147148.3 Ų148.377%0.7776%0.756SS**  73.9130.3127.4-115.577.3000121.1
630S25.4Very low25.5Very low96 Ų96147.5 Ų147.567%0.67176%0.756SS**  trans113.7104.6132.372.40000118.3
631L25.7Very low25.5Very low158 Ų158145.7 Ų145.783%0.82776%0.759SS**  57.3142.6119.3-76.7156.4000121.6
632L26.2Very low25.5Very low165 Ų165148.8 Ų148.886%0.86477%0.767SS**  trans79116.6166.4-64135.2000113.8
633G24.4Very low25.2Very low64 Ų64150.2 Ų150.266%0.6676%0.763SS**  cis85.790.527.500000110
634K25.1Very low25.1Very low204 Ų204154.1 Ų154.189%0.88777%0.772SS**  trans172138.8134.6-100.8173177.3176.20112.4
635D27.5Very low25.1Very low153 Ų153153.9 Ų153.982%0.81877%0.771SS**  trans-50.1144.3163.8-55.2-67.3000113.2
636E27.1Very low25.2Very low203 Ų203153 Ų15395%0.94977%0.772SS**  trans-134.4138141.6-85.5-167.4159.400110.4
637N23.9Very low25.3Very low150 Ų150153 Ų15380%0.80277%0.774SS**  trans-109.7166.6-172.6-174.418.5000108.7
638C22.5Very low25.2Very low96 Ų96154.4 Ų154.465%0.64978%0.781SS**  trans74.4142.4165-95.60000117.2
639E25.2Very low25.2Very low137 Ų137151.6 Ų151.664%0.6478%0.779SS**  cis-172.3161.57.3-140.9179.5163.300110.3
640K24.9Very low25.2Very low160 Ų160156.2 Ų156.270%0.69679%0.786SS**  trans81.3100.1147.8-83.2156.9-175.8147.70122.2
641T24Very low25.1Very low125 Ų125160.1 Ų160.177%0.76780%0.796SS**  trans-27142.3132.547.50000118
642L25.5Very low25.1Very low162 Ų162162.5 Ų162.585%0.84880%0.795SS**  -169.1150.8107.2-14683.5000112.2
643E25.8Very low25.2Very low155 Ų155159 Ų15972%0.72479%0.785SS**  trans-43.7148.4-175.5-58.9179.5131.200119.7
644E24.1Very low25.6Very low209 Ų209163.7 Ų163.798%0.97780%0.795SS**  -138.6126.6129.6-106.6-177.8176.500110.2
645R25Very low25.8Very low212 Ų212162.5 Ų162.580%0.880%0.797SS**  trans-117.9145.5-179.7-167.5-170.8-127-179.52.8108.6
646K24.8Very low26Very low174 Ų174160.1 Ų160.176%0.75779%0.792SS**  trans89.3133.1168.4-53.8177.6171.3176.80113.9
647H26.3Very low26.2Very low159 Ų159156.9 Ų156.974%0.73678%0.782SS**  cis-152.8150.726.3-93.4-85000106.3
648L25.2Very low26.3Very low148 Ų148154.5 Ų154.578%0.77578%0.776SS**  -179.2110.153.4-147.198.9000105.5
649S25.1Very low26.7Very low106 Ų106160.1 Ų160.174%0.74178%0.783SS**  38106.499.1-64.80000118.4
650R25.3Very low27Very low244 Ų244160.9 Ų160.992%0.92179%0.79SS**  148.1145.6112.6-95179.7171.5161.2-2.3114.7
651M23.7Very low27Very low178 Ų178158.3 Ų158.388%0.87779%0.792SS**  trans94.8113176.1-70.8-165.3171.900113.7
652Y25.9Very low27.3Very low208 Ų208158.4 Ų158.482%0.81679%0.793SS**  cis-153.9124.822.3-118.4-116.8000106.3
653S28.6Very low27.4Very low91 Ų91158.4 Ų158.464%0.63679%0.792SS**  94.1110.274.975.50000115.9
654D31.4Very low27.4Very low164 Ų164157.1 Ų157.188%0.87780%0.799SS**  trans25.2116.9146.5-63.1-33.6000122
655L30.7Very low27.5Very low178 Ų178152.5 Ų152.593%0.93279%0.789SS**  trans-109.4129144.2-95.2120000108.2D657L655-D657 PolarHBondContact O-N 3.27Å
656S31.3Very low28Very low103 Ų103147.5 Ų147.572%0.7279%0.787SS**  trans-78112.2-177.334.30000112.3C658S656-C658 PolarHBondContact O-N 3.16Å
657D30.5Very low28.5Very low135 Ų135148.2 Ų148.272%0.72279%0.79SS**  trans-68.5120166.2-100.1-13.8000110.5L655 R659L655-D657 PolarHBondContact O-N 3.27Å; D657-R659 PolarHBondContact O-N 3.31Å
658C27.3Very low29.3Very low100 Ų100149.8 Ų149.868%0.67680%0.798SS**  trans-79.593.8163.9-74.40000109.4S656 C684S656-C658 PolarHBondContact O-N 3.16Å; C658-C684 PolarHBondContact SG-SG 3.27Å
659R31Very low29.7Very low215 Ų215147.1 Ų147.181%0.81179%0.791SS**  trans-85.9110.9169.1-73.1-173.9179.7-165.9-1.6110.4D657D657-R659 PolarHBondContact O-N 3.31Å
660I30.1Very low30.1Very low153 Ų153149 Ų14979%0.78580%0.798SS**  trans-83.4117.8165.4-62172.5000107.7
661S26.5Very low30.6Very low105 Ų105146.6 Ų146.673%0.73479%0.79SS**  trans-98.9109.7167.411.50000108.1I663S661-I663 PolarHBondContact O-N 3Å
662T29.6Very low30.9Very low127 Ų127147 Ų14778%0.77979%0.79SS**  trans-73.2111.5172.641.20000109.8
663I27.8Very low31.3Very low162 Ų162141.5 Ų141.583%0.83178%0.782SS**  trans-88.9106.2164.7-60.4172.6000106.9S661 S665S661-I663 PolarHBondContact O-N 3Å; I663-S665 PolarHBondContact O-N 3.05Å
664C24.6Very low31.4Very low129 Ų129143.2 Ų143.287%0.87279%0.789SS**  trans-75119.5167.3-92.80000109.3
665S26.6Very low31.6Very low111 Ų111143.9 Ų143.978%0.77678%0.784SS**  trans-105.3130.1161.3-177.60000108.7I663 K667I663-S665 PolarHBondContact O-N 3.05Å; S665-K667 PolarHBondContact O-N 3.26Å
666S36.1Very low31.7Very low108 Ų108142 Ų14276%0.75578%0.78SS**SBendtrans-71.2104.9177.557.40000110.9
667K35.9Very low31.9Very low189 Ų189144.5 Ų144.582%0.82278%0.783SS**SBendtrans159.9121.2132.7-89.6174.5178.3-177.50109.5S665S665-K667 PolarHBondContact O-N 3.26Å
668E42.4Very low32.1Very low191 Ų191141.6 Ų141.689%0.89379%0.785SS**  trans40.499.3160.8-67179.4168.300117.3
669S32.7Very low33Very low92 Ų92145.3 Ų145.364%0.64379%0.792SS**  trans-168.3126.2143.525.60000111.2
670V34.9Very low33.6Very low146 Ų146144 Ų14489%0.88580%0.796SS**  trans-79.4119.2170176.10000107.1
671Y35.4Very low34.1Very low193 Ų193147 Ų14776%0.75780%0.797SS**  trans-125.4131.3165.9-73.7-78.3000109.3
672Q30Very low34.8Very low186 Ų186151.2 Ų151.287%0.86981%0.805SS**  trans-98.6116.2172.7-170166.7-400107.8
673S33.8Very low35.3Very low93 Ų93152.4 Ų152.465%0.6580%0.802SS**  trans-88.6134.117737.40000111.1
674V31.3Very low35.6Very low128 Ų128149.8 Ų149.878%0.77680%0.797SS**  trans-118.8134.1169.5179.50000108
675F34.6Very low36.4Very low178 Ų178150.5 Ų150.578%0.78179%0.79SS**  trans-101.2137.5-179.6-59.3-87.1000111.2
676V33.3Very low37.3Very low138 Ų138152.3 Ų152.384%0.83679%0.79SS**  trans-130.5126.7165.8-178.30000108.4
677I34.7Very low37.3Very low156 Ų156151.8 Ų151.880%0.879%0.792SS**  trans-88.6118.3176.7-57.6172.2000108E679I677-E679 HydrophobicContact CG2-CG 4.35Å
678G34.7Very low37.5Very low73 Ų73148.3 Ų148.375%0.75379%0.787SS**  trans-10998.6168.500000110.2E680G678-E680 PolarHBondContact O-N 3.11Å
679E47.5Very low37Very low178 Ų178148.3 Ų148.383%0.83279%0.787SS**THydrogen-bonded Turntrans-80.6104169-81.7-175.3148.900109.2I677I677-E679 HydrophobicContact CG2-CG 4.35Å
680E42.3Very low37.3Very low188 Ų188153.9 Ų153.988%0.87982%0.816SS**THydrogen-bonded Turntrans-172.9-2141.9-110.3178.3-173.600115.9G678G678-E680 PolarHBondContact O-N 3.11Å
681R41.3Very low37.4Very low215 Ų215154.3 Ų154.381%0.81181%0.813SS**SBendtrans-137.19.8-174.5-70.8-165.6177.8-166.6-0.4120.1E683R681-E683 VanDerWaalsContact C-N 3.25Å; R681-E683 PolarHBondContact O-N 2.98Å
682Q41.7Very low37.5Very low195 Ų195152.2 Ų152.291%0.91182%0.816SS**  trans47.545.5179-70.1-171.4-33.300113.6
683E38.6Very low37.9Very low152 Ų152150.3 Ų150.371%0.7181%0.813SS**  trans-124.7133.7170.7-72.1-177.7173.600109.6R681R681-E683 VanDerWaalsContact C-N 3.25Å; R681-E683 PolarHBondContact O-N 2.98Å
684C34.3Very low38.2Very low106 Ų106153.7 Ų153.772%0.71682%0.822SS**  trans-84.7108.3169.5-71.70000109.3C658C658-C684 PolarHBondContact SG-SG 3.27Å
685I43.1Very low38.6Very low145 Ų145155.3 Ų155.374%0.74483%0.825SS**  trans-96.5117.8173.7-56.6177.3000108.7
686I43.7Very low38.9Very low148 Ų148153.8 Ų153.876%0.75983%0.828SS**  trans-94109.2169.3-59.9171.2000107.2T688I686-T688 HydrophobicContact CG2-CG2 4.32Å
687A37.3Very low39.3Very low97 Ų97154.9 Ų154.980%0.80283%0.828SS**  trans-95.6120.9168.300000108.9
688T39.7Very low39.6Very low117 Ų117154.8 Ų154.872%0.71883%0.83SS**  trans-112.7124.9166.243.60000106.8I686I686-T688 HydrophobicContact CG2-CG2 4.32Å
689E32.5Very low40Very low191 Ų191161.7 Ų161.789%0.89384%0.836SS**  trans-76.4134.1166.7-129.4178.3-176.200107.6
690V38.5Very low39.4Very low208 Ų208160.2 Ų160.2100%1.26184%0.837SS**  trans-92.80173.6-176.40000109.3

Retrieved 690 of 690 residues in 1283.7 ms (Link to these results)