A0A3Q0KFW7_SCHMA Loading...

Fibroblast growth factor receptor-like 1

AlphaFold DB , UniProt , Accession A0A3Q0KFW7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 775 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M52.1Low56Low213 Ų213146.8 Ų146.8100%1.04969%0.685SS**  0-59.50-140.2165.9-170.400112.2W3 R4M1-W3 VanDerWaalsContact C-N 3.31Å; M1-W3 PolarHBondContact O-N 3.1Å; M1-W3 VanDerWaalsContact O-N 3.11Å; M1-R4 PolarHBondContact O-N 3.5Å
2I55.6Low57.1Low122 Ų122141.3 Ų141.363%0.62667%0.669SS**Hα-helixtrans-46-44-174.7-63.4165.2000114.6R4 L5 F6I2-R4 VanDerWaalsContact C-N 3.31Å; I2-R4 PolarHBondContact O-N 3.36Å; I2-L5 WeakPolarHBondContact O-CB 3.2Å; I2-L5 PolarHBondContact O-N 3.24Å; I2-F6 HydrophobicContact CG2-CD2 4Å; I2-F6 HydrophobicContact CG2-CE2 4.26Å; I2-F6 PolarHBondContact O-N 3.46Å
3W43.4Very low58Low232 Ų232141.8 Ų141.888%0.87967%0.667SS**Hα-helixtrans-57.4-35.4179.3-113.871.6000114.5M1 L5 F6 S7M1-W3 VanDerWaalsContact C-N 3.31Å; M1-W3 PolarHBondContact O-N 3.1Å; M1-W3 VanDerWaalsContact O-N 3.11Å; W3-L5 VanDerWaalsContact C-N 3.35Å; W3-F6 PolarHBondContact O-N 2.96Å; W3-S7 WeakPolarHBondContact O-CB 3.18Å; W3-S7 PolarHBondContact O-N 2.93Å
4R51.4Low58.4Low214 Ų214143.6 Ų143.681%0.80866%0.664SS**Hα-helixtrans-70.8-30.5175.2-75.3-170.9176.4-177.6-1.4112.4M1 I2 N8M1-R4 PolarHBondContact O-N 3.5Å; I2-R4 VanDerWaalsContact C-N 3.31Å; I2-R4 PolarHBondContact O-N 3.36Å; R4-N8 PolarHBondContact O-N 3.22Å
5L53.2Low58.9Low112 Ų112137.9 Ų137.959%0.58664%0.644SS**Hα-helixtrans-72.7-37.7175.7-66.7171.3000111.6I2 W3 K9I2-L5 WeakPolarHBondContact O-CB 3.2Å; I2-L5 PolarHBondContact O-N 3.24Å; W3-L5 VanDerWaalsContact C-N 3.35Å; L5-K9 WeakPolarHBondContact O-CB 3.31Å; L5-K9 WeakPolarHBondContact O-CG 3.26Å; L5-K9 PolarHBondContact O-N 3.23Å
6F52.8Low59.4Low147 Ų147135.1 Ų135.165%0.64563%0.633SS**Hα-helixtrans-65.2-47.3171.3-96.6-88.9000111.8I2 W3 N8 K9 V10I2-F6 HydrophobicContact CG2-CD2 4Å; I2-F6 HydrophobicContact CG2-CE2 4.26Å; I2-F6 PolarHBondContact O-N 3.46Å; W3-F6 PolarHBondContact O-N 2.96Å; F6-N8 PolarHBondContact O-N 3Å; F6-K9 PolarHBondContact O-N 3.41Å; F6-V10 WeakPolarHBondContact O-CG2 3.41Å; F6-V10 PolarHBondContact O-N 2.99Å
7S60.5Low59.5Low69 Ų69131.9 Ų131.948%0.48362%0.621SS.*Hα-helixtrans-57.1-50.5177.5-177.40000111.8W3 K9 V10 F11W3-S7 WeakPolarHBondContact O-CB 3.18Å; W3-S7 PolarHBondContact O-N 2.93Å; S7-K9 PolarHBondContact O-N 2.91Å; S7-V10 PolarHBondContact O-N 3.28Å; S7-F11 WeakPolarHBondContact O-CB 3.37Å; S7-F11 PolarHBondContact O-N 2.94Å
8N58.3Low59.4Low111 Ų111129.4 Ų129.459%0.59461%0.612SS**Hα-helixtrans-63.9-38.4177.2-82.513.3000112.9R4 F6 F11 V12R4-N8 PolarHBondContact O-N 3.22Å; F6-N8 PolarHBondContact O-N 3Å; N8-F11 PolarHBondContact O-N 2.94Å; N8-V12 WeakPolarHBondContact O-CB 3.3Å; N8-V12 VanDerWaalsContact O-CG2 3.27Å; N8-V12 WeakPolarHBondContact O-CG2 3.46Å; N8-V12 PolarHBondContact O-N 3.45Å
9K61.1Low59.1Low164 Ų164129.5 Ų129.571%0.71361%0.614SS**Hα-helixtrans-66.1-40.7176.7-81.4-170.9173.1-170.40112.4L5 F6 S7 F13L5-K9 WeakPolarHBondContact O-CB 3.31Å; L5-K9 WeakPolarHBondContact O-CG 3.26Å; L5-K9 PolarHBondContact O-N 3.23Å; F6-K9 PolarHBondContact O-N 3.41Å; S7-K9 PolarHBondContact O-N 2.91Å; K9-F13 WeakPolarHBondContact O-CB 3.3Å; K9-F13 PolarHBondContact O-N 2.87Å
10V66.1Low58.4Low83 Ų83129.9 Ų129.950%0.50361%0.613SS.*Hα-helixtrans-66.1-42.5175.21730000110.7F6 S7 F13 W14F6-V10 WeakPolarHBondContact O-CG2 3.41Å; F6-V10 PolarHBondContact O-N 2.99Å; S7-V10 PolarHBondContact O-N 3.28Å; V10-F13 PolarHBondContact O-N 3.4Å; V10-W14 WeakPolarHBondContact O-CB 3.4Å; V10-W14 PolarHBondContact O-N 3.35Å
11F61.4Low57.7Low148 Ų148129.3 Ų129.365%0.64961%0.61SS**Hα-helixtrans-63.7-44.1177.7-138.6-87.7000111.8S7 N8 W14 T15S7-F11 WeakPolarHBondContact O-CB 3.37Å; S7-F11 PolarHBondContact O-N 2.94Å; N8-F11 PolarHBondContact O-N 2.94Å; F11-W14 PolarHBondContact O-N 3.35Å; F11-T15 HydrophobicContact CD1-CG2 4.19Å; F11-T15 HydrophobicContact CE1-CG2 4.41Å; F11-T15 WeakPolarHBondContact O-CG2 3.4Å; F11-T15 PolarHBondContact O-N 2.88Å; F11-T15 PolarHBondContact O-OG1 3.26Å; F11-T15 VanDerWaalsContact O-OG1 3.11Å
12V69.8Low57.2Low81 Ų81123.1 Ų123.149%0.49158%0.584SS.*Hα-helixtrans-64-40.3175168.90000111.4N8 T15 I16N8-V12 WeakPolarHBondContact O-CB 3.3Å; N8-V12 VanDerWaalsContact O-CG2 3.27Å; N8-V12 WeakPolarHBondContact O-CG2 3.46Å; N8-V12 PolarHBondContact O-N 3.45Å; V12-T15 WeakPolarHBondContact CA-OG1 3.34Å; V12-T15 PolarHBondContact O-N 2.94Å; V12-T15 PolarHBondContact O-OG1 2.97Å; V12-T15 VanDerWaalsContact O-OG1 3.07Å; V12-I16 HydrophobicContact CG1-CD1 3.68Å; V12-I16 HydrophobicContact CG1-CG1 4.4Å; V12-I16 WeakPolarHBondContact O-CB 3.28Å; V12-I16 VanDerWaalsContact O-CG1 3.24Å; V12-I16 WeakPolarHBondContact O-CG1 3.43Å; V12-I16 PolarHBondContact O-N 3.45Å
13F68.6Low56.5Low147 Ų147123.9 Ų123.965%0.64559%0.588SS**Hα-helixtrans-65.4-41.5176.5-153.7-89.9000111.6K9 V10 I16 L17K9-F13 WeakPolarHBondContact O-CB 3.3Å; K9-F13 PolarHBondContact O-N 2.87Å; V10-F13 PolarHBondContact O-N 3.4Å; F13-I16 PolarHBondContact O-N 3.32Å; F13-L17 HydrophobicContact CE1-CD1 4.16Å; F13-L17 PolarHBondContact O-N 3.46Å
14W63.6Low56.4Low167 Ų167118.7 Ų118.763%0.63358%0.577SS**Hα-helixtrans-65.2-41.8173.4-96.372.7000112.8V10 F11 I16 L17 L18V10-W14 WeakPolarHBondContact O-CB 3.4Å; V10-W14 PolarHBondContact O-N 3.35Å; F11-W14 PolarHBondContact O-N 3.35Å; W14-I16 VanDerWaalsContact C-N 3.32Å; W14-I16 PolarHBondContact O-N 2.88Å; W14-L17 PolarHBondContact O-N 2.92Å; W14-L18 HydrophobicContact CE3-CD1 4.25Å; W14-L18 WeakPolarHBondContact O-CB 3.4Å; W14-L18 PolarHBondContact O-N 2.93Å
15T65.6Low55.7Low58 Ų58112.4 Ų112.436%0.35657%0.566SS.*Hα-helixtrans-70.1-28.1175.753.20000112.8F11 V12 M19F11-T15 HydrophobicContact CD1-CG2 4.19Å; F11-T15 HydrophobicContact CE1-CG2 4.41Å; F11-T15 WeakPolarHBondContact O-CG2 3.4Å; F11-T15 PolarHBondContact O-N 2.88Å; F11-T15 PolarHBondContact O-OG1 3.26Å; F11-T15 VanDerWaalsContact O-OG1 3.11Å; V12-T15 WeakPolarHBondContact CA-OG1 3.34Å; V12-T15 PolarHBondContact O-N 2.94Å; V12-T15 PolarHBondContact O-OG1 2.97Å; V12-T15 VanDerWaalsContact O-OG1 3.07Å; T15-M19 WeakPolarHBondContact O-CB 3.25Å; T15-M19 VanDerWaalsContact O-CG 3.31Å; T15-M19 WeakPolarHBondContact O-CG 3.44Å; T15-M19 PolarHBondContact O-N 3.29Å
16I67.1Low54.8Low93 Ų93113.9 Ų113.948%0.47758%0.575SS.*Hα-helixtrans-75-34171.8-70.5168.7000111V12 F13 W14 K20V12-I16 HydrophobicContact CG1-CD1 3.68Å; V12-I16 HydrophobicContact CG1-CG1 4.4Å; V12-I16 WeakPolarHBondContact O-CB 3.28Å; V12-I16 VanDerWaalsContact O-CG1 3.24Å; V12-I16 WeakPolarHBondContact O-CG1 3.43Å; V12-I16 PolarHBondContact O-N 3.45Å; F13-I16 PolarHBondContact O-N 3.32Å; W14-I16 VanDerWaalsContact C-N 3.32Å; W14-I16 PolarHBondContact O-N 2.88Å; I16-K20 WeakPolarHBondContact O-CB 3.26Å; I16-K20 WeakPolarHBondContact O-CG 3.1Å; I16-K20 PolarHBondContact O-N 2.87Å
17L61.3Low54Low82 Ų82111 Ų11143%0.42957%0.569SS.*Hα-helixtrans-65.8-52.3171.8-133.377.5000110.6F13 W14 M19 K20 E21F13-L17 HydrophobicContact CE1-CD1 4.16Å; F13-L17 PolarHBondContact O-N 3.46Å; W14-L17 PolarHBondContact O-N 2.92Å; L17-M19 PolarHBondContact O-N 3.44Å; L17-K20 CarbonylContact O-C 3.56Å; L17-K20 WeakPolarHBondContact O-CA 3.14Å; L17-K20 WeakPolarHBondContact O-CB 3.34Å; L17-K20 PolarHBondContact O-N 3.38Å; L17-E21 PolarHBondContact O-N 3.33Å
18L57.1Low53.1Low87 Ų87117.6 Ų117.646%0.45559%0.589SS.*Hα-helixtrans-59.8-40.5175.6-85.9159.8000112.4W14 K20 E21 V22W14-L18 HydrophobicContact CE3-CD1 4.25Å; W14-L18 WeakPolarHBondContact O-CB 3.4Å; W14-L18 PolarHBondContact O-N 2.93Å; L18-K20 VanDerWaalsContact C-N 3.34Å; L18-E21 PolarHBondContact O-N 3.5Å; L18-V22 VanDerWaalsContact O-CB 3.26Å; L18-V22 WeakPolarHBondContact O-CB 3.44Å; L18-V22 WeakPolarHBondContact O-CG2 3.38Å; L18-V22 PolarHBondContact O-N 2.96Å
19M53.9Low52.3Low131 Ų131115 Ų11565%0.64558%0.577SS**Hα-helixtrans-68.7-30.9173.3-80.1-170.8171.600112.5T15 L17 L23T15-M19 WeakPolarHBondContact O-CB 3.25Å; T15-M19 VanDerWaalsContact O-CG 3.31Å; T15-M19 WeakPolarHBondContact O-CG 3.44Å; T15-M19 PolarHBondContact O-N 3.29Å; L17-M19 PolarHBondContact O-N 3.44Å; M19-L23 WeakPolarHBondContact O-CB 3.36Å; M19-L23 WeakPolarHBondContact O-CD1 3.25Å; M19-L23 WeakPolarHBondContact O-CG 3.38Å; M19-L23 PolarHBondContact O-N 3.37Å
20K45.1Very low51.3Low136 Ų136109.6 Ų109.659%0.59156%0.559SS**Hα-helixtrans-67.9-45.7170.5-85.8-170.7169.8-167.70111.7I16 L17 L18 L23 L24I16-K20 WeakPolarHBondContact O-CB 3.26Å; I16-K20 WeakPolarHBondContact O-CG 3.1Å; I16-K20 PolarHBondContact O-N 2.87Å; L17-K20 CarbonylContact O-C 3.56Å; L17-K20 WeakPolarHBondContact O-CA 3.14Å; L17-K20 WeakPolarHBondContact O-CB 3.34Å; L17-K20 PolarHBondContact O-N 3.38Å; L18-K20 VanDerWaalsContact C-N 3.34Å; K20-L23 PolarHBondContact O-N 3.3Å; K20-L24 VanDerWaalsContact O-CB 3.27Å; K20-L24 WeakPolarHBondContact O-CB 3.44Å; K20-L24 WeakPolarHBondContact O-CD1 3.46Å; K20-L24 WeakPolarHBondContact O-CG 3.39Å; K20-L24 PolarHBondContact O-N 3.12Å
21E43.6Very low49.8Very low119 Ų119113.6 Ų113.656%0.55657%0.574SS**Hα-helixtrans-64.8-39177.8-71.1175.312300111.5L17 L18 L24 S25L17-E21 PolarHBondContact O-N 3.33Å; L18-E21 PolarHBondContact O-N 3.5Å; E21-L24 PolarHBondContact O-N 2.98Å; E21-S25 VanDerWaalsContact O-CB 3.32Å; E21-S25 WeakPolarHBondContact O-CB 3.5Å; E21-S25 PolarHBondContact O-N 3.42Å; E21-S25 PolarHBondContact O-OG 3.05Å
22V42.9Very low48.9Very low83 Ų83108.9 Ų108.950%0.50356%0.558SS.*Hα-helixtrans-70.3-38.3175.1170.80000112.4L18 L24 S25L18-V22 VanDerWaalsContact O-CB 3.26Å; L18-V22 WeakPolarHBondContact O-CB 3.44Å; L18-V22 WeakPolarHBondContact O-CG2 3.38Å; L18-V22 PolarHBondContact O-N 2.96Å; V22-L24 VanDerWaalsContact C-N 3.32Å; V22-S25 WeakPolarHBondContact CA-OG 3.2Å; V22-S25 PolarHBondContact O-N 3.26Å; V22-S25 PolarHBondContact O-OG 3.38Å
23L40.4Very low47.4Very low137 Ų137109.7 Ų109.772%0.71756%0.562SS**Hα-helixtrans-74.2-21.3174.1-72.5166.9000113.2M19 K20M19-L23 WeakPolarHBondContact O-CB 3.36Å; M19-L23 WeakPolarHBondContact O-CD1 3.25Å; M19-L23 WeakPolarHBondContact O-CG 3.38Å; M19-L23 PolarHBondContact O-N 3.37Å; K20-L23 PolarHBondContact O-N 3.3Å
24L40.5Very low46.2Very low123 Ų123104.2 Ų104.264%0.64454%0.54SS*.Hα-helixtrans-85.9-23.8171-82.1155.9000112.5K20 E21 V22 T27K20-L24 VanDerWaalsContact O-CB 3.27Å; K20-L24 WeakPolarHBondContact O-CB 3.44Å; K20-L24 WeakPolarHBondContact O-CD1 3.46Å; K20-L24 WeakPolarHBondContact O-CG 3.39Å; K20-L24 PolarHBondContact O-N 3.12Å; E21-L24 PolarHBondContact O-N 2.98Å; V22-L24 VanDerWaalsContact C-N 3.32Å; L24-T27 PolarHBondContact O-OG1 3.22Å; L24-T27 VanDerWaalsContact O-OG1 3.09Å
25S36.7Very low45.3Very low83 Ų83103.7 Ų103.758%0.5854%0.544SS*.Hα-helixtrans-78-15.2179.565.20000115.2E21 V22E21-S25 VanDerWaalsContact O-CB 3.32Å; E21-S25 WeakPolarHBondContact O-CB 3.5Å; E21-S25 PolarHBondContact O-N 3.42Å; E21-S25 PolarHBondContact O-OG 3.05Å; V22-S25 WeakPolarHBondContact CA-OG 3.2Å; V22-S25 PolarHBondContact O-N 3.26Å; V22-S25 PolarHBondContact O-OG 3.38Å
26D33.9Very low44.7Very low142 Ų142106.7 Ų106.776%0.75956%0.558SS**THydrogen-bonded Turntrans-99.37.5178.9-102.3-25000113.5K28D26-K28 PolarHBondContact O-N 3.38Å
27T36.8Very low44.8Very low87 Ų87106 Ų10653%0.53456%0.555SS.*SBendtrans-68.3122.1163.455.70000108.5L24 V29L24-T27 PolarHBondContact O-OG1 3.22Å; L24-T27 VanDerWaalsContact O-OG1 3.09Å; T27-V29 PolarHBondContact O-N 2.91Å
28K42.1Very low45.5Very low208 Ų208106.2 Ų106.290%0.90455%0.554SS**  trans-8155.7-160.1-159.4179.8-174.1179.10113.1D26D26-K28 PolarHBondContact O-N 3.38Å
29V40.9Very low46.7Very low56 Ų56102.5 Ų102.534%0.33954%0.535SS..  trans-54.5124.6178.3-179.70000109.4T27 M31 R48T27-V29 PolarHBondContact O-N 2.91Å; V29-M31 PolarHBondContact O-N 3.03Å; V29-R48 HydrophobicContact CG1-CB 4.33Å
30P40.7Very low48Very low50 Ų50103.2 Ų103.233%0.32553%0.53SS..  trans-72.791.9-179.228.9-34.3000110.5V32P30-V32 PolarHBondContact O-N 3.48Å
31M33.9Very low49.8Very low168 Ų16897.8 Ų97.883%0.82851%0.507SS*.  trans-65.1104.3165.7-76.4-156.7-66.200109.5V29 V33V29-M31 PolarHBondContact O-N 3.03Å; M31-V33 PolarHBondContact O-N 3.33Å
32V43Very low51.7Low49 Ų4997.2 Ų97.230%0.29751%0.505SS..  trans-75.188.9-178.5-1730000110.1P30 I39 F141P30-V32 PolarHBondContact O-N 3.48Å; V32-I39 HydrophobicContact CG2-CD1 3.79Å; V32-I39 HydrophobicContact CG2-CG1 4.32Å; V32-F141 HydrophobicContact CB-CE1 4.3Å; V32-F141 HydrophobicContact CG1-CD1 4.22Å; V32-F141 HydrophobicContact CG1-CE1 3.98Å
33V38.7Very low53.6Low97 Ų9796 Ų9659%0.58850%0.497SS*.  trans-70.7148.1161.7-166.40000108.4M31 H35M31-V33 PolarHBondContact O-N 3.33Å; V33-H35 WeakPolarHBondContact CG1-NE2 3.49Å; V33-H35 PolarHBondContact O-N 2.98Å
34N43.3Very low55.4Low32 Ų3291.6 Ų91.617%0.17149%0.485CS..THydrogen-bonded Turntrans-75.453.2-160.3-146.5-41.3000114.5S64 S65N34-S64 WeakPolarHBondContact CB-O 3.33Å; N34-S64 PolarHBondContact ND2-O 3.01Å; N34-S64 PolarHBondContact ND2-OG 3.14Å; N34-S65 PolarHBondContact ND2-N 3.42Å; N34-S65 WeakPolarHBondContact OD1-CB 3.44Å
35H44.1Very low57.4Low156 Ų15688.9 Ų88.972%0.72247%0.471SS*.THydrogen-bonded Turntrans-135.3-17.7-172.2-48.4-31.4000113V33V33-H35 WeakPolarHBondContact CG1-NE2 3.49Å; V33-H35 PolarHBondContact O-N 2.98Å
36N52.4Low59.7Low121 Ų12188.4 Ų88.465%0.64746%0.462SS*.  trans-138.1107174.7-90.6-27.4000109.2Q38N36-Q38 VanDerWaalsContact C-N 3.25Å
37N68.9Low62.3Low79 Ų7981.7 Ų81.742%0.42243%0.426SS..  trans-78.7-12.9172.1-66.96.6000112.2F141 E142N37-F141 WeakPolarHBondContact O-CA 3.39Å; N37-E142 PolarHBondContact O-N 2.81Å
38Q75.8Confident64.7Low86 Ų8681.5 Ų81.540%0.40242%0.416SS..EExtended strand (participates in β ladder)trans-90130.8176.7-65.4-164.7-28.200111.6N36 E142N36-Q38 VanDerWaalsContact C-N 3.25Å; Q38-E142 WeakPolarHBondContact CA-O 3.47Å; Q38-E142 HydrophobicContact CG-CB 4.23Å; Q38-E142 WeakPolarHBondContact CG-OE2 3.17Å; Q38-E142 PolarHBondContact NE2-OE1 2.92Å; Q38-E142 VanDerWaalsContact NE2-OE1 3.11Å; Q38-E142 PolarHBondContact NE2-OE2 3.21Å
39I83Confident66.9Low10 Ų1071.7 Ų71.75%0.05137%0.373CS..EExtended strand (participates in β ladder)trans-124.2123-178.4-57173.9000107.5V32 L41 L49 F141 E142 V143 H144V32-I39 HydrophobicContact CG2-CD1 3.79Å; V32-I39 HydrophobicContact CG2-CG1 4.32Å; I39-L41 HydrophobicContact CG2-CD1 4.29Å; I39-L41 HydrophobicContact CG2-CG 4.13Å; I39-L49 HydrophobicContact CD1-CD2 3.38Å; I39-F141 HydrophobicContact CD1-CB 4.05Å; I39-F141 HydrophobicContact CD1-CD1 4.15Å; I39-F141 HydrophobicContact CD1-CG 4.37Å; I39-E142 PolarHBondContact N-O 2.98Å; I39-V143 HydrophobicContact CB-CG2 4.41Å; I39-V143 HydrophobicContact CD1-CG2 4.4Å; I39-V143 CarbonylContact O-C 3.55Å; I39-V143 WeakPolarHBondContact O-CA 2.74Å; I39-H144 PolarHBondContact O-N 2.74Å
40R80.4Confident69.2Low145 Ų14573.3 Ų73.355%0.54738%0.377SS..EExtended strand (participates in β ladder)trans-115.6123.3-179.1-73.8172.6168167.9-7109.7H144 E195R40-H144 WeakPolarHBondContact CA-O 3.42Å; R40-H144 HydrophobicContact CG-CB 4.11Å; R40-E195 IonicContact CZ-OE1 2.63Å; R40-E195 IonicContact NH2-OE1 2.72Å; R40-E195 PolarHBondContact NH2-OE1 3.31Å
41L84.9Confident71.4Confident22 Ų2270.9 Ų70.912%0.11536%0.361CS..EExtended strand (participates in β ladder)trans-133.9165.2-175.5-65.1177000111.2I39 D45 L47 L118 H144 V145 R146I39-L41 HydrophobicContact CG2-CD1 4.29Å; I39-L41 HydrophobicContact CG2-CG 4.13Å; L41-D45 HydrophobicContact CB-CB 4.15Å; L41-D45 HydrophobicContact CD2-CB 4.12Å; L41-L47 HydrophobicContact CD1-CB 3.89Å; L41-L47 HydrophobicContact CD1-CD1 3.83Å; L41-L47 HydrophobicContact CD1-CG 4.35Å; L41-L118 HydrophobicContact CB-CD2 4Å; L41-L118 HydrophobicContact CD1-CD2 3.61Å; L41-L118 HydrophobicContact CG-CD2 4.46Å; L41-H144 PolarHBondContact N-O 2.82Å; L41-V145 WeakPolarHBondContact O-CA 3.37Å; L41-R146 PolarHBondContact O-N 2.98Å
42Q82.3Confident73.9Confident107 Ų10763.9 Ų63.950%0.533%0.328SS..EExtended strand (participates in β ladder)trans-106.3160.1173.9-57.1-170.718.300111.5G44 D45 R146Q42-G44 PolarHBondContact O-N 3.43Å; Q42-D45 PolarHBondContact N-OD2 3.45Å; Q42-D45 WeakPolarHBondContact O-CB 3.21Å; Q42-D45 PolarHBondContact O-N 3.48Å; Q42-R146 CarbonylContact C-O 3.08Å; Q42-R146 VanDerWaalsContact CA-O 3.23Å; Q42-R146 WeakPolarHBondContact CA-O 3.34Å
43V82.2Confident75.9Confident57 Ų5761.6 Ų61.635%0.34531%0.314SS..THydrogen-bonded Turntrans-61.7122.7172.3166.20000109.4L118 V120 V145 R146 D147V43-L118 WeakPolarHBondContact CA-O 3.44Å; V43-V120 HydrophobicContact CG2-CG2 3.69Å; V43-V145 HydrophobicContact CG2-CG1 4.17Å; V43-R146 PolarHBondContact N-O 2.92Å; V43-D147 HydrophobicContact CB-CB 4.48Å; V43-D147 HydrophobicContact CG2-CB 3.87Å
44G79.2Confident77.8Confident45 Ų4560.8 Ų60.846%0.46430%0.304SS..THydrogen-bonded Turntrans94.1-3.8-172.800000115.9Q42 L118Q42-G44 PolarHBondContact O-N 3.43Å; G44-L118 PolarHBondContact N-O 2.99Å; G44-L118 VanDerWaalsContact N-O 3.16Å
45D83.3Confident79.3Confident66 Ų6662 Ų6235%0.35331%0.31SS..PPolyproline II helixtrans-71.8157.1166.8-75.9-21.4000111.3L41 Q42 L118L41-D45 HydrophobicContact CB-CB 4.15Å; L41-D45 HydrophobicContact CD2-CB 4.12Å; Q42-D45 PolarHBondContact N-OD2 3.45Å; Q42-D45 WeakPolarHBondContact O-CB 3.21Å; Q42-D45 PolarHBondContact O-N 3.48Å; D45-L118 WeakPolarHBondContact O-CB 3.44Å
46L84.1Confident80.7Confident74 Ų7456.4 Ų56.439%0.38729%0.287SS..PPolyproline II helixtrans-89.2123.4174.2178.562.8000111.6E116L46-E116 HydrophobicContact CD1-CG 4.22Å
47L87.6Confident81.2Confident1 Ų157 Ų571%0.00530%0.3CS..PPolyproline II helixtrans-100.6117.8175.4174.459.4000111.4L41 L49 V114 L118 Y126 V143L41-L47 HydrophobicContact CD1-CB 3.89Å; L41-L47 HydrophobicContact CD1-CD1 3.83Å; L41-L47 HydrophobicContact CD1-CG 4.35Å; L47-L49 HydrophobicContact CD1-CD1 4.38Å; L47-L49 HydrophobicContact CD1-CD2 3.83Å; L47-L49 HydrophobicContact CD1-CG 3.93Å; L47-V114 HydrophobicContact CB-CB 4.22Å; L47-V114 HydrophobicContact CB-CG2 4.36Å; L47-V114 HydrophobicContact CD2-CB 4.25Å; L47-V114 HydrophobicContact CD2-CG2 3.71Å; L47-V114 HydrophobicContact CG-CB 4.4Å; L47-V114 HydrophobicContact CG-CG2 3.99Å; L47-V114 PolarHBondContact O-N 3Å; L47-L118 HydrophobicContact CB-CD1 3.82Å; L47-L118 HydrophobicContact CB-CD2 3.93Å; L47-L118 HydrophobicContact CB-CG 4.5Å; L47-L118 HydrophobicContact CD2-CD1 3.82Å; L47-Y126 HydrophobicContact CD2-CE1 4.36Å; L47-V143 HydrophobicContact CD1-CG1 4.27Å; L47-V143 HydrophobicContact CD1-CG2 4.31Å; L47-V143 HydrophobicContact CD2-CG1 3.92Å
48R88.7Confident81.1Confident83 Ų8359.2 Ų59.231%0.31332%0.317SS..EExtended strand (participates in β ladder)trans-137.9118.9-179-179.7170.6-162.2-102.4-4.2110.1V29 I111 E113V29-R48 HydrophobicContact CG1-CB 4.33Å; R48-I111 HydrophobicContact CG-CG2 4.14Å; R48-E113 HydrophobicContact CB-CG 4.17Å; R48-E113 HydrophobicContact CG-CG 3.71Å; R48-E113 IonicContact CZ-OE1 3.43Å; R48-E113 IonicContact NE-OE1 2.85Å; R48-E113 PolarHBondContact NE-OE1 3.21Å; R48-E113 IonicContact NH2-OE1 3.23Å; R48-E113 PolarHBondContact NH2-OE1 3.12Å
49L87.8Confident80.4Confident2 Ų256.3 Ų56.31%0.0131%0.31CS..EExtended strand (participates in β ladder)trans-118.8120.7-175.5-59.1178.3000110.5I39 L47 W87 I111 L112 Y126 F141 V143I39-L49 HydrophobicContact CD1-CD2 3.38Å; L47-L49 HydrophobicContact CD1-CD1 4.38Å; L47-L49 HydrophobicContact CD1-CD2 3.83Å; L47-L49 HydrophobicContact CD1-CG 3.93Å; L49-W87 HydrophobicContact CB-CH2 3.68Å; L49-W87 HydrophobicContact CB-CZ3 4.08Å; L49-W87 HydrophobicContact CD1-CZ3 4.13Å; L49-I111 CarbonylContact O-C 3.59Å; L49-I111 WeakPolarHBondContact O-CA 3.42Å; L49-L112 PolarHBondContact N-O 3.17Å; L49-L112 PolarHBondContact O-N 3.08Å; L49-Y126 HydrophobicContact CD1-CD1 3.66Å; L49-Y126 HydrophobicContact CD1-CE1 4.47Å; L49-Y126 HydrophobicContact CD1-CG 3.76Å; L49-F141 HydrophobicContact CB-CE2 4.48Å; L49-F141 HydrophobicContact CD1-CD2 4.08Å; L49-F141 HydrophobicContact CD1-CG 4.48Å; L49-F141 HydrophobicContact CD2-CG 4.35Å; L49-V143 HydrophobicContact CD1-CG2 4.49Å
50E89.2Confident79.6Confident89 Ų8957.3 Ų57.342%0.41632%0.323SS..EExtended strand (participates in β ladder)trans-101.6133.3173.2179.3174154.600110.2P52 R110 I111E50-P52 WeakPolarHBondContact O-CD 3.24Å; E50-R110 IonicContact OE1-CZ 3.12Å; E50-R110 IonicContact OE1-NH1 2.7Å; E50-R110 PolarHBondContact OE1-NH1 3.04Å; E50-R110 IonicContact OE1-NH2 2.72Å; E50-R110 PolarHBondContact OE1-NH2 3.37Å; E50-I111 HydrophobicContact CB-CD1 4.47Å; E50-I111 HydrophobicContact CB-CG1 4.07Å; E50-I111 HydrophobicContact CG-CD1 4.33Å; E50-I111 HydrophobicContact CG-CG1 3.97Å
51C87.8Confident79.2Confident0 Ų051.5 Ų51.50%030%0.303CS..  trans-75.6122.4-179.7-166.40000111.8I53 Y85 W87 R110 C128C51-I53 PolarHBondContact O-N 2.86Å; C51-Y85 HydrophobicContact CB-CD1 4.02Å; C51-Y85 HydrophobicContact CB-CE1 4.19Å; C51-W87 HydrophobicContact CB-CZ2 4.13Å; C51-R110 HydrophobicContact CB-CG 4.25Å; C51-R110 WeakPolarHBondContact CB-O 3.33Å; C51-R110 PolarHBondContact N-O 2.88Å; C51-R110 PolarHBondContact O-NH2 2.87Å; C51-C128 HydrophobicContact CB-CB 3.91Å; C51-C128 WeakPolarHBondContact CB-SG 3.46Å; C51-C128 WeakPolarHBondContact SG-CB 3.35Å; C51-C128 CovalentContact SG-SG 2.03Å; C51-C128 PolarHBondContact SG-SG 2.82Å
52P86.1Confident78.6Confident21 Ų2151.8 Ų51.814%0.13631%0.305CS..  trans-84.95.2-17735.3-37.9000113.5E50 H54 V139E50-P52 WeakPolarHBondContact O-CD 3.24Å; P52-H54 PolarHBondContact O-ND1 3.29Å; P52-V139 HydrophobicContact CG-CB 4.4Å; P52-V139 HydrophobicContact CG-CG1 4.01Å; P52-V139 HydrophobicContact CG-CG2 4.24Å
53I83.5Confident77.9Confident0 Ų047.1 Ų47.10%028%0.284CS..EExtended strand (participates in β ladder)trans-80.4130.9176.9-55.5172.8000108.5C51 L61 V62 Y85 R137 V139C51-I53 PolarHBondContact O-N 2.86Å; I53-L61 HydrophobicContact CG2-CB 4.46Å; I53-L61 HydrophobicContact CG2-CD2 3.79Å; I53-V62 WeakPolarHBondContact CA-O 3.44Å; I53-Y85 PolarHBondContact O-OH 3.17Å; I53-R137 HydrophobicContact CD1-CB 4.39Å; I53-R137 VanDerWaalsContact CD1-O 3.3Å; I53-R137 WeakPolarHBondContact CD1-O 3.37Å; I53-R137 HydrophobicContact CG2-CB 4.39Å; I53-V139 HydrophobicContact CD1-CB 4.48Å; I53-V139 HydrophobicContact CD1-CG2 4.03Å; I53-V139 HydrophobicContact CG1-CG2 3.82Å
54H79.7Confident76.8Confident80 Ų8047.2 Ų47.237%0.3729%0.288SS..EExtended strand (participates in β ladder)trans-139.3167.5176.457.9-78.5000109.9P52 V62P52-H54 PolarHBondContact O-ND1 3.29Å; H54-V62 PolarHBondContact CE1-O 3.45Å; H54-V62 PolarHBondContact N-O 2.99Å; H54-V62 PolarHBondContact ND1-O 3.4Å; H54-V62 VanDerWaalsContact ND1-O 3.17Å; H54-V62 PolarHBondContact O-N 2.74Å
55I75.1Confident75.3Confident57 Ų5747.7 Ų47.729%0.29228%0.284SS..EExtended strand (participates in β ladder)trans-95.3137.8175.6-162.2170000110G60 T81 V83 T132I55-G60 CarbonylContact C-O 3.59Å; I55-G60 WeakPolarHBondContact CA-O 3.47Å; I55-T81 HydrophobicContact CG2-CG2 3.75Å; I55-V83 HydrophobicContact CB-CG2 3.89Å; I55-V83 HydrophobicContact CD1-CG2 4.49Å; I55-V83 HydrophobicContact CG2-CG2 4.39Å; I55-T132 HydrophobicContact CD1-CG2 4.24Å
56T71.8Confident73.2Confident39 Ų3949.8 Ų49.824%0.23930%0.295CS..  trans-80.1164.5171.5580000111.2T58 G59 G60 V62T56-T58 PolarHBondContact O-N 2.92Å; T56-T58 VanDerWaalsContact O-N 3.11Å; T56-T58 PolarHBondContact OG1-N 2.97Å; T56-T58 PolarHBondContact OG1-OG1 3.25Å; T56-G59 PolarHBondContact O-N 3.3Å; T56-G60 PolarHBondContact N-O 3.16Å; T56-G60 PolarHBondContact OG1-N 2.87Å; T56-G60 PolarHBondContact OG1-O 2.78Å; T56-V62 HydrophobicContact CG2-CB 3.97Å; T56-V62 HydrophobicContact CG2-CG2 3.38Å
57S64Low70.8Confident134 Ų13451.7 Ų51.794%0.93731%0.306SS*.THydrogen-bonded Turntrans-57.1-20.3167.451.10000113.7
58T66Low68.4Low125 Ų12559.7 Ų59.777%0.76735%0.349SS*.THydrogen-bonded Turntrans-88.96174.352.80000114T56 G60T56-T58 PolarHBondContact O-N 2.92Å; T56-T58 VanDerWaalsContact O-N 3.11Å; T56-T58 PolarHBondContact OG1-N 2.97Å; T56-T58 PolarHBondContact OG1-OG1 3.25Å; T58-G60 PolarHBondContact O-N 3.26Å
59G62.8Low65.8Low26 Ų2662.1 Ų62.127%0.26837%0.368SS..SBendtrans76.80.618000000115.1T56T56-G59 PolarHBondContact O-N 3.3Å
60G64.9Low63.1Low31 Ų3167.2 Ų67.232%0.3241%0.41SS..  trans-77.5148.7176.900000112.2I55 T56 T58I55-G60 CarbonylContact C-O 3.59Å; I55-G60 WeakPolarHBondContact CA-O 3.47Å; T56-G60 PolarHBondContact N-O 3.16Å; T56-G60 PolarHBondContact OG1-N 2.87Å; T56-G60 PolarHBondContact OG1-O 2.78Å; T58-G60 PolarHBondContact O-N 3.26Å
61L72.1Confident60.3Low22 Ų2268 Ų6812%0.11543%0.425CS..EExtended strand (participates in β ladder)trans-85.7121.4171.5-76.9167.5000110.3I53 V83 G130 T132 G135 R137I53-L61 HydrophobicContact CG2-CB 4.46Å; I53-L61 HydrophobicContact CG2-CD2 3.79Å; L61-V83 HydrophobicContact CD2-CG1 3.94Å; L61-V83 HydrophobicContact CD2-CG2 3.94Å; L61-G130 WeakPolarHBondContact CD1-O 3.36Å; L61-T132 HydrophobicContact CD1-CG2 4.08Å; L61-T132 HydrophobicContact CD2-CG2 3.87Å; L61-T132 HydrophobicContact CG-CG2 3.94Å; L61-G135 WeakPolarHBondContact CD1-O 3.36Å; L61-R137 HydrophobicContact CB-CB 3.92Å; L61-R137 HydrophobicContact CD1-CB 4.32Å; L61-R137 WeakPolarHBondContact O-CD 3.48Å; L61-R137 PolarHBondContact O-NH1 3.49Å
62V73.1Confident57.7Low28 Ų2873.1 Ų73.117%0.1746%0.461CS..EExtended strand (participates in β ladder)trans-119.6130177.6170.80000110.2I53 H54 T56I53-V62 WeakPolarHBondContact CA-O 3.44Å; H54-V62 PolarHBondContact CE1-O 3.45Å; H54-V62 PolarHBondContact N-O 2.99Å; H54-V62 PolarHBondContact ND1-O 3.4Å; H54-V62 VanDerWaalsContact ND1-O 3.17Å; H54-V62 PolarHBondContact O-N 2.74Å; T56-V62 HydrophobicContact CG2-CB 3.97Å; T56-V62 HydrophobicContact CG2-CG2 3.38Å
63S66.1Low55Low9 Ų981.8 Ų81.86%0.06350%0.497CS..EExtended strand (participates in β ladder)trans-86.8141.1158.553.80000107.3S65 R137S63-S65 PolarHBondContact O-N 3.03Å; S63-S65 PolarHBondContact O-OG 3.11Å; S63-S65 PolarHBondContact OG-OG 2.86Å; S63-R137 VanDerWaalsContact N-NE 3.16Å; S63-R137 VanDerWaalsContact OG-CZ 3.32Å; S63-R137 PolarHBondContact OG-NE 3.07Å; S63-R137 PolarHBondContact OG-NH2 2.69Å
64S59.5Low52.4Low59 Ų5987.9 Ų87.941%0.41353%0.534SS..THydrogen-bonded Turntrans-68.335.5-178550000115.4N34N34-S64 WeakPolarHBondContact CB-O 3.33Å; N34-S64 PolarHBondContact ND2-O 3.01Å; N34-S64 PolarHBondContact ND2-OG 3.14Å
65S47.1Very low50.2Low56 Ų5693 Ų9339%0.39256%0.558SS.*THydrogen-bonded Turntrans-103.1-6.2-16950.30000114.2N34 S63N34-S65 PolarHBondContact ND2-N 3.42Å; N34-S65 WeakPolarHBondContact OD1-CB 3.44Å; S63-S65 PolarHBondContact O-N 3.03Å; S63-S65 PolarHBondContact O-OG 3.11Å; S63-S65 PolarHBondContact OG-OG 2.86Å
66N40Very low48.1Very low110 Ų11099 Ų9959%0.58858%0.584SS**SBendtrans-121.8-18.1-162.4-75.956.7000115.2
67D34.9Very low46.5Very low113 Ų113101.2 Ų101.260%0.60460%0.6SS**  trans-103.8115.4-163.6-54.7-51.5000112.3D69D67-D69 PolarHBondContact O-N 2.87Å
68N37.3Very low45.3Very low170 Ų170103.2 Ų103.291%0.90959%0.594SS**  trans-78.91.3168.7-78.5-63.2000112.7A70N68-A70 PolarHBondContact O-N 2.87Å
69D32.8Very low44.3Very low134 Ų134104.6 Ų104.672%0.71759%0.587SS**  trans-75.9107-177.9-92.3-39.1000111.9D67 S71D67-D69 PolarHBondContact O-N 2.87Å; D69-S71 PolarHBondContact O-N 2.81Å
70A30.4Very low43.6Very low108 Ų108110.4 Ų110.489%0.89361%0.612SS**  trans-73.542.4176.800000113.3N68N68-A70 PolarHBondContact O-N 2.87Å
71S30.6Very low43.4Very low105 Ų105111.7 Ų111.773%0.73461%0.613SS**  trans-134.836.8-165.1-169.70000114.8D69D69-S71 PolarHBondContact O-N 2.81Å
72S34.3Very low43.4Very low109 Ų109113.6 Ų113.676%0.76264%0.638SS**  trans-127.512.4175.360.40000115T74S72-T74 VanDerWaalsContact C-N 3.27Å; S72-T74 PolarHBondContact O-N 3.31Å
73K29Very low43.6Very low203 Ų203112.7 Ų112.788%0.88363%0.633SS**  trans-78.362.1175.7-71.8-172.4176.8179.20113.7
74T30Very low44.6Very low127 Ų127117.5 Ų117.578%0.77966%0.657SS**  trans169.686.3148.841.10000110.7S72S72-T74 VanDerWaalsContact C-N 3.27Å; S72-T74 PolarHBondContact O-N 3.31Å
75H33Very low46Very low188 Ų188115.2 Ų115.287%0.8764%0.639SS**  trans-147.6133150.8-94.6-78.5000108.6
76Q30Very low48.1Very low182 Ų182114.7 Ų114.785%0.8563%0.632SS**  trans-71139.3168.1-67.8167.7-8600108.1E78Q76-E78 PolarHBondContact O-N 3.26Å
77P38.9Very low50.5Low87 Ų87109.6 Ų109.657%0.56560%0.604SS**  trans-67110.5176.327.6-33000108.9Y79P77-Y79 WeakPolarHBondContact O-CD2 3.41Å; P77-Y79 PolarHBondContact O-N 3.37Å
78E37.9Very low53.2Low176 Ų176108 Ų10882%0.82259%0.592SS**  trans-73.4117179.9-163.7162.6-138.700109.1Q76 N80Q76-E78 PolarHBondContact O-N 3.26Å; E78-N80 PolarHBondContact O-N 3.49Å
79Y45.6Very low55.7Low153 Ų15399.9 Ų99.960%0.655%0.549SS*.SBendtrans-75.454.2-163.4-78.9-92000114.3P77P77-Y79 WeakPolarHBondContact O-CD2 3.41Å; P77-Y79 PolarHBondContact O-N 3.37Å
80N49.1Very low58.3Low149 Ų14997.1 Ų97.180%0.79753%0.528SS*.  trans-15131.9169.3-149.417.6000114E78 G82E78-N80 PolarHBondContact O-N 3.49Å; N80-G82 PolarHBondContact O-N 2.94Å
81T59.1Low60.8Low57 Ų5798.4 Ų98.435%0.3552%0.52SS..  trans-65.5124.5172.156.40000110.1I55 V83I55-T81 HydrophobicContact CG2-CG2 3.75Å; T81-V83 PolarHBondContact O-N 3.49Å
82G71.9Confident63.3Low62 Ų6296.2 Ų96.264%0.63950%0.5SS*.  trans-71.241.7177.400000114.9N80N80-G82 PolarHBondContact O-N 2.94Å
83V78.2Confident65.4Low9 Ų995.1 Ų95.16%0.05548%0.483CS..  trans-105.2120.3178-177.20000108I55 L61 T81 Y85 I131 T132I55-V83 HydrophobicContact CB-CG2 3.89Å; I55-V83 HydrophobicContact CD1-CG2 4.49Å; I55-V83 HydrophobicContact CG2-CG2 4.39Å; L61-V83 HydrophobicContact CD2-CG1 3.94Å; L61-V83 HydrophobicContact CD2-CG2 3.94Å; T81-V83 PolarHBondContact O-N 3.49Å; V83-Y85 HydrophobicContact CB-CE2 4.37Å; V83-Y85 HydrophobicContact CG1-CD1 4.43Å; V83-Y85 HydrophobicContact CG1-CE1 3.94Å; V83-Y85 HydrophobicContact CG1-CE2 4.27Å; V83-I131 CarbonylContact C-O 3.57Å; V83-I131 WeakPolarHBondContact CA-O 3.37Å; V83-T132 HydrophobicContact CB-CG2 4.48Å; V83-T132 HydrophobicContact CG2-CG2 3.86Å
84I86.8Confident67.7Low111 Ų11186.9 Ų86.957%0.56945%0.448SS*.EExtended strand (participates in β ladder)trans-90.2129.7173.5-54175.3000107.9N86 I131I84-N86 WeakPolarHBondContact CG2-OD1 3.29Å; I84-I131 HydrophobicContact CB-CB 4.42Å; I84-I131 PolarHBondContact N-O 3.36Å; I84-I131 PolarHBondContact O-N 3.45Å
85Y89.5Confident70.1Confident11 Ų1188.7 Ų88.74%0.04344%0.442CS..EExtended strand (participates in β ladder)trans-101.5121.7176.7-58.9-82.3000110.8C51 I53 V83 R109 R110 S129C51-Y85 HydrophobicContact CB-CD1 4.02Å; C51-Y85 HydrophobicContact CB-CE1 4.19Å; I53-Y85 PolarHBondContact O-OH 3.17Å; V83-Y85 HydrophobicContact CB-CE2 4.37Å; V83-Y85 HydrophobicContact CG1-CD1 4.43Å; V83-Y85 HydrophobicContact CG1-CE1 3.94Å; V83-Y85 HydrophobicContact CG1-CE2 4.27Å; Y85-R109 WeakPolarHBondContact CB-O 3.42Å; Y85-R109 PolarHBondContact O-NH1 2.78Å; Y85-R110 HydrophobicContact CD1-CB 4.46Å; Y85-R110 HydrophobicContact CD1-CG 4.29Å; Y85-R110 HydrophobicContact CD2-CB 3.77Å; Y85-R110 HydrophobicContact CD2-CG 4.25Å; Y85-R110 HydrophobicContact CE1-CB 4.48Å; Y85-R110 HydrophobicContact CE1-CG 3.95Å; Y85-R110 HydrophobicContact CE2-CB 3.82Å; Y85-R110 HydrophobicContact CE2-CG 3.93Å; Y85-R110 HydrophobicContact CG-CB 4.12Å; Y85-R110 HydrophobicContact CG-CG 4.44Å; Y85-S129 WeakPolarHBondContact CA-O 3.36Å
86N90.5Very high72.4Confident45 Ų4581.1 Ų81.124%0.24141%0.41CS..EExtended strand (participates in β ladder)trans-121.4145.1174.5-65.254.9000109.3I84 D94 S129 I131I84-N86 WeakPolarHBondContact CG2-OD1 3.29Å; N86-D94 WeakPolarHBondContact CB-OD2 3.16Å; N86-D94 PolarHBondContact ND2-OD2 3.23Å; N86-S129 PolarHBondContact N-O 3.13Å; N86-S129 PolarHBondContact O-N 2.95Å; N86-I131 HydrophobicContact CB-CD1 4.41Å
87W91Very high74.9Confident3 Ų372.5 Ų72.51%0.01137%0.37CS..EExtended strand (participates in β ladder)trans-117152178.9-70.583000112L49 C51 D94 L97 F105 R109 L112 T127 C128 F141L49-W87 HydrophobicContact CB-CH2 3.68Å; L49-W87 HydrophobicContact CB-CZ3 4.08Å; L49-W87 HydrophobicContact CD1-CZ3 4.13Å; C51-W87 HydrophobicContact CB-CZ2 4.13Å; W87-D94 PolarHBondContact N-OD1 3Å; W87-D94 WeakPolarHBondContact O-CA 3.29Å; W87-D94 WeakPolarHBondContact O-CB 3.2Å; W87-D94 PolarHBondContact O-N 3.44Å; W87-L97 HydrophobicContact CB-CD1 3.75Å; W87-L97 WeakPolarHBondContact O-CD1 3.3Å; W87-F105 HydrophobicContact CB-CE1 4.1Å; W87-F105 HydrophobicContact CB-CZ 4.44Å; W87-F105 AromaticContact CD1-CE1 3.49Å; W87-F105 VanDerWaalsContact CD1-CE1 3.49Å; W87-F105 AromaticContact CG-CE1 3.91Å; W87-F105 HydrophobicContact CG-CE1 3.91Å; W87-R109 PolarHBondContact NE1-O 3.17Å; W87-L112 HydrophobicContact CB-CD2 4.43Å; W87-L112 HydrophobicContact CD2-CB 3.92Å; W87-L112 HydrophobicContact CD2-CD2 3.8Å; W87-L112 HydrophobicContact CE3-CB 4.2Å; W87-L112 HydrophobicContact CE3-CD2 3.58Å; W87-L112 HydrophobicContact CG-CB 4.48Å; W87-L112 HydrophobicContact CG-CD2 4.19Å; W87-L112 HydrophobicContact CH2-CB 4.1Å; W87-L112 HydrophobicContact CZ2-CB 3.83Å; W87-L112 HydrophobicContact CZ3-CB 4.28Å; W87-L112 HydrophobicContact CZ3-CD2 4.06Å; W87-T127 CarbonylContact C-O 3.57Å; W87-T127 WeakPolarHBondContact CA-O 3.48Å; W87-C128 HydrophobicContact CD2-CB 4.17Å; W87-C128 HydrophobicContact CE3-CB 4.05Å; W87-C128 HydrophobicContact CH2-CB 3.9Å; W87-C128 HydrophobicContact CZ2-CB 4Å; W87-C128 HydrophobicContact CZ3-CB 3.92Å; W87-F141 HydrophobicContact CH2-CD2 4.46Å; W87-F141 AromaticContact CH2-CE2 3.78Å; W87-F141 HydrophobicContact CH2-CE2 3.78Å; W87-F141 HydrophobicContact CZ3-CD2 4.06Å; W87-F141 AromaticContact CZ3-CE2 3.8Å; W87-F141 HydrophobicContact CZ3-CE2 3.8Å
88K91Very high76.9Confident79 Ų7973 Ų7334%0.34337%0.367SS..EExtended strand (participates in β ladder)trans-131.6130.2167.7-174.2-176.5177.5-179.70108.2R90 L92 T127K88-R90 WeakPolarHBondContact CE-O 3.36Å; K88-L92 WeakPolarHBondContact CA-O 3.4Å; K88-L92 WeakPolarHBondContact CG-O 3.48Å; K88-T127 PolarHBondContact N-O 2.71Å; K88-T127 PolarHBondContact O-N 3.05Å
89V90.2Very high78.9Confident0 Ų070 Ų700%036%0.362CS..EExtended strand (participates in β ladder)trans-123.6111.7-178.5-178.30000108.8D91 L92 L97 Y103 L112 Y126V89-D91 PolarHBondContact O-N 3.19Å; V89-L92 PolarHBondContact N-O 2.71Å; V89-L92 WeakPolarHBondContact O-CA 3.32Å; V89-L92 VanDerWaalsContact O-CB 3.27Å; V89-L92 WeakPolarHBondContact O-CB 3.48Å; V89-L92 PolarHBondContact O-N 3.14Å; V89-L97 HydrophobicContact CB-CD2 4.01Å; V89-L97 HydrophobicContact CG2-CD1 3.96Å; V89-L97 HydrophobicContact CG2-CD2 3.89Å; V89-Y103 HydrophobicContact CG1-CE1 4.13Å; V89-Y103 HydrophobicContact CG2-CE1 4.33Å; V89-L112 HydrophobicContact CG2-CD2 4Å; V89-Y126 HydrophobicContact CB-CD1 4.3Å; V89-Y126 HydrophobicContact CB-CE1 4.23Å; V89-Y126 HydrophobicContact CG1-CD1 3.87Å; V89-Y126 HydrophobicContact CG1-CD2 4.34Å; V89-Y126 HydrophobicContact CG1-CE1 3.44Å; V89-Y126 VanDerWaalsContact CG1-CE1 3.44Å; V89-Y126 HydrophobicContact CG1-CE2 3.95Å; V89-Y126 HydrophobicContact CG1-CG 4.29Å; V89-Y126 VanDerWaalsContact CG1-CZ 3.47Å; V89-Y126 HydrophobicContact CG2-CD1 3.6Å; V89-Y126 HydrophobicContact CG2-CE1 3.73Å; V89-Y126 HydrophobicContact CG2-CG 4.38Å
90R87.7Confident80.6Confident75 Ų7565.6 Ų65.628%0.28335%0.348SS..THydrogen-bonded Turntrans51.9-120.1-168.2-57.8179.3-83.4-78.94.2109.6K88 Y103 S121 D122 S123 N125K88-R90 WeakPolarHBondContact CE-O 3.36Å; R90-Y103 PolarHBondContact NH2-OH 3.45Å; R90-S121 PolarHBondContact NH1-O 3.18Å; R90-S121 PolarHBondContact NH2-O 3.12Å; R90-D122 PolarHBondContact NH1-O 3.19Å; R90-D122 IonicContact NH2-OD1 3.93Å; R90-S123 WeakPolarHBondContact CD-O 3.31Å; R90-S123 PolarHBondContact NH1-O 3.32Å; R90-N125 PolarHBondContact N-O 3.47Å
91D81.5Confident82.3Confident135 Ų13565 Ų6572%0.72235%0.345SS*.THydrogen-bonded Turntrans-93.7-4.8175.6-55.8-64.2000113.6V89 H93V89-D91 PolarHBondContact O-N 3.19Å; D91-H93 PolarHBondContact O-CE1 2.73Å; D91-H93 PolarHBondContact O-N 2.7Å; D91-H93 PolarHBondContact O-ND1 2.99Å
92L84Confident83.6Confident59 Ų5964.5 Ų64.531%0.30934%0.339SS..BIsolated β-bridgetrans-73.1117174.1-59.4176.6000109.4K88 V89 L97 Y103K88-L92 WeakPolarHBondContact CA-O 3.4Å; K88-L92 WeakPolarHBondContact CG-O 3.48Å; V89-L92 PolarHBondContact N-O 2.71Å; V89-L92 WeakPolarHBondContact O-CA 3.32Å; V89-L92 VanDerWaalsContact O-CB 3.27Å; V89-L92 WeakPolarHBondContact O-CB 3.48Å; V89-L92 PolarHBondContact O-N 3.14Å; L92-L97 HydrophobicContact CB-CD2 3.86Å; L92-L97 HydrophobicContact CD1-CD2 4.27Å; L92-Y103 HydrophobicContact CD1-CE2 3.95Å
93H78.9Confident84.4Confident87 Ų8762 Ų6240%0.40331%0.31SS..  trans-84161.9174.7-66.369.2000110D91 Y95 S96D91-H93 PolarHBondContact O-CE1 2.73Å; D91-H93 PolarHBondContact O-N 2.7Å; D91-H93 PolarHBondContact O-ND1 2.99Å; H93-Y95 VanDerWaalsContact C-N 3.3Å; H93-Y95 HydrophobicContact CB-CD1 3.98Å; H93-Y95 HydrophobicContact CB-CE1 3.51Å; H93-Y95 PolarHBondContact O-N 2.76Å; H93-Y95 VanDerWaalsContact O-N 3.09Å; H93-S96 WeakPolarHBondContact O-CA 3.36Å; H93-S96 VanDerWaalsContact O-CB 3.27Å; H93-S96 WeakPolarHBondContact O-CB 3.47Å; H93-S96 PolarHBondContact O-N 3.05Å
94D77.4Confident84.8Confident30 Ų3066.3 Ų66.316%0.1633%0.329CS..G310 helixtrans-47.2-44.5-169.2-154.535.2000114.6N86 W87 S96 L97 D98 R109N86-D94 WeakPolarHBondContact CB-OD2 3.16Å; N86-D94 PolarHBondContact ND2-OD2 3.23Å; W87-D94 PolarHBondContact N-OD1 3Å; W87-D94 WeakPolarHBondContact O-CA 3.29Å; W87-D94 WeakPolarHBondContact O-CB 3.2Å; W87-D94 PolarHBondContact O-N 3.44Å; D94-S96 PolarHBondContact O-N 3.18Å; D94-L97 WeakPolarHBondContact O-CB 3.13Å; D94-L97 PolarHBondContact O-N 2.92Å; D94-D98 PolarHBondContact O-N 3.4Å; D94-R109 VanDerWaalsContact CG-NH1 3.29Å; D94-R109 VanDerWaalsContact CG-NH2 3.31Å; D94-R109 IonicContact OD1-CZ 2.68Å; D94-R109 VanDerWaalsContact OD1-CZ 3.3Å; D94-R109 IonicContact OD1-NH1 3.76Å; D94-R109 PolarHBondContact OD1-NH1 3.34Å; D94-R109 IonicContact OD1-NH2 2.66Å; D94-R109 PolarHBondContact OD1-NH2 2.81Å; D94-R109 IonicContact OD2-CZ 2.79Å; D94-R109 IonicContact OD2-NH1 2.73Å; D94-R109 PolarHBondContact OD2-NH1 2.81Å; D94-R109 IonicContact OD2-NH2 3.81Å
95Y79.8Confident84.9Confident165 Ų16563.5 Ų63.565%0.64731%0.313SS*.G310 helixtrans-64.7-23.1177.966.3-96.6000114.5H93 L97 T99H93-Y95 VanDerWaalsContact C-N 3.3Å; H93-Y95 HydrophobicContact CB-CD1 3.98Å; H93-Y95 HydrophobicContact CB-CE1 3.51Å; H93-Y95 PolarHBondContact O-N 2.76Å; H93-Y95 VanDerWaalsContact O-N 3.09Å; Y95-L97 VanDerWaalsContact C-N 3.34Å; Y95-T99 PolarHBondContact O-OG1 3.06Å
96S80.7Confident84.7Confident28 Ų2865.2 Ų65.220%0.19633%0.327CS..G310 helixtrans-84.4-9.9175-54.80000112.8H93 D94 N100H93-S96 WeakPolarHBondContact O-CA 3.36Å; H93-S96 VanDerWaalsContact O-CB 3.27Å; H93-S96 WeakPolarHBondContact O-CB 3.47Å; H93-S96 PolarHBondContact O-N 3.05Å; D94-S96 PolarHBondContact O-N 3.18Å; S96-N100 WeakPolarHBondContact O-CB 3.5Å
97L82.7Confident84.3Confident1 Ų166.2 Ų66.21%0.00533%0.33CS..THydrogen-bonded Turntrans-88.8-45.6176.3-53.6177.4000110W87 V89 L92 D94 Y95 T99 N100 Y103 F105W87-L97 HydrophobicContact CB-CD1 3.75Å; W87-L97 WeakPolarHBondContact O-CD1 3.3Å; V89-L97 HydrophobicContact CB-CD2 4.01Å; V89-L97 HydrophobicContact CG2-CD1 3.96Å; V89-L97 HydrophobicContact CG2-CD2 3.89Å; L92-L97 HydrophobicContact CB-CD2 3.86Å; L92-L97 HydrophobicContact CD1-CD2 4.27Å; D94-L97 WeakPolarHBondContact O-CB 3.13Å; D94-L97 PolarHBondContact O-N 2.92Å; Y95-L97 VanDerWaalsContact C-N 3.34Å; L97-T99 PolarHBondContact O-N 3.09Å; L97-T99 VanDerWaalsContact O-N 3.09Å; L97-N100 PolarHBondContact O-N 3.14Å; L97-Y103 HydrophobicContact CD2-CD2 3.69Å; L97-Y103 HydrophobicContact CD2-CE2 3.76Å; L97-Y103 HydrophobicContact CD2-CG 4.22Å; L97-F105 HydrophobicContact CB-CE2 3.94Å; L97-F105 HydrophobicContact CB-CZ 3.76Å; L97-F105 HydrophobicContact CD1-CZ 4.02Å
98D81.3Confident83.9Confident97 Ų9772.2 Ų72.252%0.51936%0.358SS..THydrogen-bonded Turntrans-62.2-17.9178-62.2-33.2000113.7D94 F105 R109D94-D98 PolarHBondContact O-N 3.4Å; D98-F105 WeakPolarHBondContact OD1-CE2 3.43Å; D98-R109 VanDerWaalsContact CG-NH2 3.31Å; D98-R109 IonicContact OD1-CZ 2.95Å; D98-R109 IonicContact OD1-NE 3.63Å; D98-R109 PolarHBondContact OD1-NE 2.78Å; D98-R109 IonicContact OD1-NH2 2.79Å; D98-R109 PolarHBondContact OD1-NH2 2.92Å; D98-R109 IonicContact OD2-CZ 2.88Å; D98-R109 IonicContact OD2-NH2 2.69Å; D98-R109 PolarHBondContact OD2-NH2 2.89Å
99T80Confident83.7Confident115 Ų11570.9 Ų70.971%0.70635%0.351SS*.THydrogen-bonded Turntrans-98.22.7177.144.80000113.8Y95 L97Y95-T99 PolarHBondContact O-OG1 3.06Å; L97-T99 PolarHBondContact O-N 3.09Å; L97-T99 VanDerWaalsContact O-N 3.09Å
100N81.6Confident83.6Confident59 Ų5973.2 Ų73.232%0.31636%0.36SS..  trans-124.7110.1-171.5-176.9-6.5000112S96 L97 H102 Y103S96-N100 WeakPolarHBondContact O-CB 3.5Å; L97-N100 PolarHBondContact O-N 3.14Å; N100-H102 PolarHBondContact O-N 3.23Å; N100-H102 VanDerWaalsContact OD1-CB 3.3Å; N100-H102 WeakPolarHBondContact OD1-CB 3.45Å; N100-H102 PolarHBondContact OD1-N 2.95Å; N100-H102 VanDerWaalsContact OD1-N 3.07Å; N100-Y103 HydrophobicContact CB-CD2 4.15Å; N100-Y103 PolarHBondContact O-N 3.24Å
101N84Confident83.6Confident138 Ų13869.7 Ų69.774%0.73835%0.346SS*.THydrogen-bonded Turntrans-60.6-6.1-179.1-62.61.8000115.2Y103 H104 T115N101-Y103 VanDerWaalsContact C-N 3.27Å; N101-H104 PolarHBondContact O-CE1 3.1Å; N101-T115 PolarHBondContact O-OG1 3.1Å
102H86.6Confident83.9Confident45 Ų4563.2 Ų63.221%0.20831%0.312CS..THydrogen-bonded Turntrans-76.4-13.7171.9-159.555.4000113.6N100 V114 T115 D122N100-H102 PolarHBondContact O-N 3.23Å; N100-H102 VanDerWaalsContact OD1-CB 3.3Å; N100-H102 WeakPolarHBondContact OD1-CB 3.45Å; N100-H102 PolarHBondContact OD1-N 2.95Å; N100-H102 VanDerWaalsContact OD1-N 3.07Å; H102-V114 WeakPolarHBondContact NE2-CG1 3.38Å; H102-T115 PolarHBondContact CE1-O 2.83Å; H102-T115 PolarHBondContact O-N 2.65Å; H102-T115 PolarHBondContact O-OG1 2.74Å; H102-D122 IonicContact CD2-OD1 3.52Å; H102-D122 PolarHBondContact CD2-OD1 3.02Å; H102-D122 IonicContact CE1-OD2 3.5Å; H102-D122 IonicContact NE2-OD1 3.44Å; H102-D122 PolarHBondContact NE2-OD1 3.21Å; H102-D122 IonicContact NE2-OD2 3.18Å; H102-D122 PolarHBondContact NE2-OD2 2.82Å
103Y88.2Confident84.2Confident11 Ų1163 Ų634%0.04331%0.309CS..EExtended strand (participates in β ladder)trans-122.1133-179.7-57.8-68.5000110.9V89 R90 L92 L97 N100 N101 L112 V114 Y126V89-Y103 HydrophobicContact CG1-CE1 4.13Å; V89-Y103 HydrophobicContact CG2-CE1 4.33Å; R90-Y103 PolarHBondContact NH2-OH 3.45Å; L92-Y103 HydrophobicContact CD1-CE2 3.95Å; L97-Y103 HydrophobicContact CD2-CD2 3.69Å; L97-Y103 HydrophobicContact CD2-CE2 3.76Å; L97-Y103 HydrophobicContact CD2-CG 4.22Å; N100-Y103 HydrophobicContact CB-CD2 4.15Å; N100-Y103 PolarHBondContact O-N 3.24Å; N101-Y103 VanDerWaalsContact C-N 3.27Å; Y103-L112 HydrophobicContact CD1-CD1 4.08Å; Y103-L112 HydrophobicContact CG-CD1 4.46Å; Y103-V114 HydrophobicContact CD1-CG2 4Å; Y103-V114 HydrophobicContact CE1-CG1 4.42Å; Y103-V114 HydrophobicContact CE1-CG2 4.07Å; Y103-Y126 HydrophobicContact CE1-CE1 4.3Å
104H87.5Confident84.5Confident98 Ų9859.1 Ų59.145%0.45429%0.292SS..EExtended strand (participates in β ladder)trans-126.2138.7177.7-69.2-21.9000110.7N101 E113N101-H104 PolarHBondContact O-CE1 3.1Å; H104-E113 HydrophobicContact CB-CB 4.48Å; H104-E113 PolarHBondContact N-O 3.08Å; H104-E113 PolarHBondContact O-N 3.42Å
105F88.6Confident84.6Confident53 Ų5359.9 Ų59.923%0.23230%0.297CS..EExtended strand (participates in β ladder)trans-113.3128.9-175.6-69.1-67.4000111.1W87 L97 D98 R109 I111 L112W87-F105 HydrophobicContact CB-CE1 4.1Å; W87-F105 HydrophobicContact CB-CZ 4.44Å; W87-F105 AromaticContact CD1-CE1 3.49Å; W87-F105 VanDerWaalsContact CD1-CE1 3.49Å; W87-F105 AromaticContact CG-CE1 3.91Å; W87-F105 HydrophobicContact CG-CE1 3.91Å; L97-F105 HydrophobicContact CB-CE2 3.94Å; L97-F105 HydrophobicContact CB-CZ 3.76Å; L97-F105 HydrophobicContact CD1-CZ 4.02Å; D98-F105 WeakPolarHBondContact OD1-CE2 3.43Å; F105-R109 HydrophobicContact CB-CB 4.33Å; F105-R109 HydrophobicContact CB-CG 4.02Å; F105-R109 HydrophobicContact CD1-CB 4.16Å; F105-R109 HydrophobicContact CD1-CG 4.47Å; F105-R109 HydrophobicContact CG-CB 4.35Å; F105-R109 HydrophobicContact CG-CG 4.17Å; F105-I111 WeakPolarHBondContact CA-O 3.38Å; F105-L112 HydrophobicContact CD1-CB 4.49Å; F105-L112 HydrophobicContact CD1-CD1 4.15Å; F105-L112 HydrophobicContact CE1-CB 4.39Å; F105-L112 HydrophobicContact CE1-CD1 3.75Å; F105-L112 HydrophobicContact CZ-CD1 4.26Å
106S85.1Confident84.3Confident46 Ų4658.2 Ų58.232%0.32230%0.295SS..EExtended strand (participates in β ladder)trans-123163.3177.7-171.30000111.1R109 R110 I111S106-R109 PolarHBondContact O-N 3.4Å; S106-R110 PolarHBondContact O-N 3.06Å; S106-I111 PolarHBondContact N-O 3.05Å; S106-I111 PolarHBondContact O-N 2.95Å
107Q81.6Confident84.2Confident67 Ų6760.7 Ų60.731%0.31331%0.311SS..THydrogen-bonded Turntrans45.266.1-177-62-175.33.300114R109 R110 I111Q107-R109 PolarHBondContact O-N 3.34Å; Q107-R110 HydrophobicContact CB-CB 4.24Å; Q107-R110 WeakPolarHBondContact O-CB 3.02Å; Q107-R110 PolarHBondContact O-N 2.63Å; Q107-I111 HydrophobicContact CB-CD1 4.49Å; Q107-I111 HydrophobicContact CB-CG1 4.44Å; Q107-I111 HydrophobicContact CG-CD1 4.03Å
108Q82.8Confident84.3Confident128 Ų12860.7 Ų60.760%0.59831%0.311SS*.THydrogen-bonded Turntrans54.938.3179.2-60.1172.8-21.300113.3R110Q108-R110 PolarHBondContact O-N 3.06Å
109R88.4Confident84.4Confident51 Ų5160.8 Ų60.819%0.19231%0.308CS..THydrogen-bonded Turntrans65.910-174.9-47.1176.484.6-123.48.8115Y85 W87 D94 D98 F105 S106 Q107 I111Y85-R109 WeakPolarHBondContact CB-O 3.42Å; Y85-R109 PolarHBondContact O-NH1 2.78Å; W87-R109 PolarHBondContact NE1-O 3.17Å; D94-R109 VanDerWaalsContact CG-NH1 3.29Å; D94-R109 VanDerWaalsContact CG-NH2 3.31Å; D94-R109 IonicContact OD1-CZ 2.68Å; D94-R109 VanDerWaalsContact OD1-CZ 3.3Å; D94-R109 IonicContact OD1-NH1 3.76Å; D94-R109 PolarHBondContact OD1-NH1 3.34Å; D94-R109 IonicContact OD1-NH2 2.66Å; D94-R109 PolarHBondContact OD1-NH2 2.81Å; D94-R109 IonicContact OD2-CZ 2.79Å; D94-R109 IonicContact OD2-NH1 2.73Å; D94-R109 PolarHBondContact OD2-NH1 2.81Å; D94-R109 IonicContact OD2-NH2 3.81Å; D98-R109 VanDerWaalsContact CG-NH2 3.31Å; D98-R109 IonicContact OD1-CZ 2.95Å; D98-R109 IonicContact OD1-NE 3.63Å; D98-R109 PolarHBondContact OD1-NE 2.78Å; D98-R109 IonicContact OD1-NH2 2.79Å; D98-R109 PolarHBondContact OD1-NH2 2.92Å; D98-R109 IonicContact OD2-CZ 2.88Å; D98-R109 IonicContact OD2-NH2 2.69Å; D98-R109 PolarHBondContact OD2-NH2 2.89Å; F105-R109 HydrophobicContact CB-CB 4.33Å; F105-R109 HydrophobicContact CB-CG 4.02Å; F105-R109 HydrophobicContact CD1-CB 4.16Å; F105-R109 HydrophobicContact CD1-CG 4.47Å; F105-R109 HydrophobicContact CG-CB 4.35Å; F105-R109 HydrophobicContact CG-CG 4.17Å; S106-R109 PolarHBondContact O-N 3.4Å; Q107-R109 PolarHBondContact O-N 3.34Å; R109-I111 VanDerWaalsContact C-N 3.27Å; R109-I111 PolarHBondContact O-N 3.47Å
110R86.7Confident84.4Confident50 Ų5058.9 Ų58.919%0.18930%0.296CS..THydrogen-bonded Turntrans-68-25.1173.5-172172.9173.7-92.8-21.8113.1E50 C51 Y85 S106 Q107 Q108E50-R110 IonicContact OE1-CZ 3.12Å; E50-R110 IonicContact OE1-NH1 2.7Å; E50-R110 PolarHBondContact OE1-NH1 3.04Å; E50-R110 IonicContact OE1-NH2 2.72Å; E50-R110 PolarHBondContact OE1-NH2 3.37Å; C51-R110 HydrophobicContact CB-CG 4.25Å; C51-R110 WeakPolarHBondContact CB-O 3.33Å; C51-R110 PolarHBondContact N-O 2.88Å; C51-R110 PolarHBondContact O-NH2 2.87Å; Y85-R110 HydrophobicContact CD1-CB 4.46Å; Y85-R110 HydrophobicContact CD1-CG 4.29Å; Y85-R110 HydrophobicContact CD2-CB 3.77Å; Y85-R110 HydrophobicContact CD2-CG 4.25Å; Y85-R110 HydrophobicContact CE1-CB 4.48Å; Y85-R110 HydrophobicContact CE1-CG 3.95Å; Y85-R110 HydrophobicContact CE2-CB 3.82Å; Y85-R110 HydrophobicContact CE2-CG 3.93Å; Y85-R110 HydrophobicContact CG-CB 4.12Å; Y85-R110 HydrophobicContact CG-CG 4.44Å; S106-R110 PolarHBondContact O-N 3.06Å; Q107-R110 HydrophobicContact CB-CB 4.24Å; Q107-R110 WeakPolarHBondContact O-CB 3.02Å; Q107-R110 PolarHBondContact O-N 2.63Å; Q108-R110 PolarHBondContact O-N 3.06Å
111I88.2Confident84.4Confident0 Ų059.7 Ų59.70%031%0.307CS..EExtended strand (participates in β ladder)trans-116.7134.3176.7-59-177.7000109.6R48 L49 E50 F105 S106 Q107 R109 E113R48-I111 HydrophobicContact CG-CG2 4.14Å; L49-I111 CarbonylContact O-C 3.59Å; L49-I111 WeakPolarHBondContact O-CA 3.42Å; E50-I111 HydrophobicContact CB-CD1 4.47Å; E50-I111 HydrophobicContact CB-CG1 4.07Å; E50-I111 HydrophobicContact CG-CD1 4.33Å; E50-I111 HydrophobicContact CG-CG1 3.97Å; F105-I111 WeakPolarHBondContact CA-O 3.38Å; S106-I111 PolarHBondContact N-O 3.05Å; S106-I111 PolarHBondContact O-N 2.95Å; Q107-I111 HydrophobicContact CB-CD1 4.49Å; Q107-I111 HydrophobicContact CB-CG1 4.44Å; Q107-I111 HydrophobicContact CG-CD1 4.03Å; R109-I111 VanDerWaalsContact C-N 3.27Å; R109-I111 PolarHBondContact O-N 3.47Å; I111-E113 HydrophobicContact CG2-CG 4.1Å; I111-E113 WeakPolarHBondContact CG2-OE1 3.43Å
112L88.9Confident84.5Confident0 Ų053.4 Ų53.40%027%0.273CS..EExtended strand (participates in β ladder)trans-113125.3172.5171.160.5000109.3L49 W87 V89 Y103 F105 Y126L49-L112 PolarHBondContact N-O 3.17Å; L49-L112 PolarHBondContact O-N 3.08Å; W87-L112 HydrophobicContact CB-CD2 4.43Å; W87-L112 HydrophobicContact CD2-CB 3.92Å; W87-L112 HydrophobicContact CD2-CD2 3.8Å; W87-L112 HydrophobicContact CE3-CB 4.2Å; W87-L112 HydrophobicContact CE3-CD2 3.58Å; W87-L112 HydrophobicContact CG-CB 4.48Å; W87-L112 HydrophobicContact CG-CD2 4.19Å; W87-L112 HydrophobicContact CH2-CB 4.1Å; W87-L112 HydrophobicContact CZ2-CB 3.83Å; W87-L112 HydrophobicContact CZ3-CB 4.28Å; W87-L112 HydrophobicContact CZ3-CD2 4.06Å; V89-L112 HydrophobicContact CG2-CD2 4Å; Y103-L112 HydrophobicContact CD1-CD1 4.08Å; Y103-L112 HydrophobicContact CG-CD1 4.46Å; F105-L112 HydrophobicContact CD1-CB 4.49Å; F105-L112 HydrophobicContact CD1-CD1 4.15Å; F105-L112 HydrophobicContact CE1-CB 4.39Å; F105-L112 HydrophobicContact CE1-CD1 3.75Å; F105-L112 HydrophobicContact CZ-CD1 4.26Å; L112-Y126 HydrophobicContact CD2-CD1 3.76Å; L112-Y126 HydrophobicContact CD2-CE1 4.15Å
113E88.8Confident84.5Confident54 Ų5452.9 Ų52.925%0.25227%0.274SS..EExtended strand (participates in β ladder)trans-118.3137.4177.5-74.2156.9-166.500108.3R48 H104 I111R48-E113 HydrophobicContact CB-CG 4.17Å; R48-E113 HydrophobicContact CG-CG 3.71Å; R48-E113 IonicContact CZ-OE1 3.43Å; R48-E113 IonicContact NE-OE1 2.85Å; R48-E113 PolarHBondContact NE-OE1 3.21Å; R48-E113 IonicContact NH2-OE1 3.23Å; R48-E113 PolarHBondContact NH2-OE1 3.12Å; H104-E113 HydrophobicContact CB-CB 4.48Å; H104-E113 PolarHBondContact N-O 3.08Å; H104-E113 PolarHBondContact O-N 3.42Å; I111-E113 HydrophobicContact CG2-CG 4.1Å; I111-E113 WeakPolarHBondContact CG2-OE1 3.43Å
114V85.9Confident84.5Confident6 Ų653.4 Ų53.44%0.03628%0.284CS..EExtended strand (participates in β ladder)trans-107.8133.2-180-176.30000109.6L47 H102 Y103 L118 Y126L47-V114 HydrophobicContact CB-CB 4.22Å; L47-V114 HydrophobicContact CB-CG2 4.36Å; L47-V114 HydrophobicContact CD2-CB 4.25Å; L47-V114 HydrophobicContact CD2-CG2 3.71Å; L47-V114 HydrophobicContact CG-CB 4.4Å; L47-V114 HydrophobicContact CG-CG2 3.99Å; L47-V114 PolarHBondContact O-N 3Å; H102-V114 WeakPolarHBondContact NE2-CG1 3.38Å; Y103-V114 HydrophobicContact CD1-CG2 4Å; Y103-V114 HydrophobicContact CE1-CG1 4.42Å; Y103-V114 HydrophobicContact CE1-CG2 4.07Å; V114-L118 HydrophobicContact CB-CD1 4.31Å; V114-L118 HydrophobicContact CG1-CD1 3.95Å; V114-Y126 HydrophobicContact CG2-CE1 4.18Å
115T79.4Confident84.6Confident45 Ų4552.9 Ų52.928%0.27628%0.284SS..PPolyproline II helixtrans-69.3137.2-169.7-530000112.3N101 H102N101-T115 PolarHBondContact O-OG1 3.1Å; H102-T115 PolarHBondContact CE1-O 2.83Å; H102-T115 PolarHBondContact O-N 2.65Å; H102-T115 PolarHBondContact O-OG1 2.74Å
116E73.6Confident84.7Confident130 Ų13050.4 Ų50.461%0.60727%0.273SS*.SBendtrans-72.5147.2-179.3-66.2178.9-177.700112.8L46L46-E116 HydrophobicContact CD1-CG 4.22Å
117P77.8Confident85Confident80 Ų8049.1 Ų49.152%0.51926%0.264SS..SBendcis-85.5134.7-4.633.3-32.7000112Q119P117-Q119 VanDerWaalsContact O-CG 3.32Å; P117-Q119 WeakPolarHBondContact O-CG 3.25Å
118L85Confident85.5Confident2 Ų246 Ų461%0.0125%0.249CC..PPolyproline II helixtrans-59.8134.4175.4-173.772000111.6L41 V43 G44 D45 L47 V114 D122 V145L41-L118 HydrophobicContact CB-CD2 4Å; L41-L118 HydrophobicContact CD1-CD2 3.61Å; L41-L118 HydrophobicContact CG-CD2 4.46Å; V43-L118 WeakPolarHBondContact CA-O 3.44Å; G44-L118 PolarHBondContact N-O 2.99Å; G44-L118 VanDerWaalsContact N-O 3.16Å; D45-L118 WeakPolarHBondContact O-CB 3.44Å; L47-L118 HydrophobicContact CB-CD1 3.82Å; L47-L118 HydrophobicContact CB-CD2 3.93Å; L47-L118 HydrophobicContact CB-CG 4.5Å; L47-L118 HydrophobicContact CD2-CD1 3.82Å; V114-L118 HydrophobicContact CB-CD1 4.31Å; V114-L118 HydrophobicContact CG1-CD1 3.95Å; L118-D122 HydrophobicContact CD1-CB 3.63Å; L118-D122 HydrophobicContact CG-CB 4.44Å; L118-V145 HydrophobicContact CD1-CG2 4.29Å; L118-V145 HydrophobicContact CD2-CB 4.5Å; L118-V145 HydrophobicContact CD2-CG1 3.94Å; L118-V145 HydrophobicContact CD2-CG2 3.7Å; L118-V145 HydrophobicContact CG-CG1 3.95Å; L118-V145 HydrophobicContact CG-CG2 3.89Å
119Q83.4Confident85.8Confident98 Ų9840.3 Ų40.346%0.45822%0.223SC..  trans-115.8161.4-172.9-55.1-168.58.700112.7P117 S121 D122 V145P117-Q119 VanDerWaalsContact O-CG 3.32Å; P117-Q119 WeakPolarHBondContact O-CG 3.25Å; Q119-S121 WeakPolarHBondContact CB-OG 3.31Å; Q119-S121 PolarHBondContact O-N 2.8Å; Q119-D122 PolarHBondContact N-OD2 2.87Å; Q119-D122 VanDerWaalsContact O-CB 3.31Å; Q119-D122 WeakPolarHBondContact O-CB 3.35Å; Q119-D122 PolarHBondContact O-N 3.23Å; Q119-V145 WeakPolarHBondContact O-CB 3.3Å; Q119-V145 WeakPolarHBondContact O-CG1 3.3Å
120V79.6Confident85.8Confident75 Ų7537.9 Ų37.946%0.45521%0.214SC..G310 helixtrans-56.7-33.5175-179.30000111.7V43 D122 S123 D147V43-V120 HydrophobicContact CG2-CG2 3.69Å; V120-D122 PolarHBondContact O-N 2.84Å; V120-S123 WeakPolarHBondContact O-CB 3.38Å; V120-S123 PolarHBondContact O-N 2.92Å; V120-S123 VanDerWaalsContact O-N 3.13Å; V120-S123 PolarHBondContact O-OG 2.87Å; V120-D147 HydrophobicContact CG2-CB 3.8Å
121S81.9Confident85.8Confident77 Ų7737.9 Ų37.954%0.53822%0.217SC..G310 helixtrans-64.2-11.9173.847.80000114.9R90 Q119 S123R90-S121 PolarHBondContact NH1-O 3.18Å; R90-S121 PolarHBondContact NH2-O 3.12Å; Q119-S121 WeakPolarHBondContact CB-OG 3.31Å; Q119-S121 PolarHBondContact O-N 2.8Å; S121-S123 VanDerWaalsContact C-N 3.33Å
122D86.5Confident85.7Confident5 Ų538.9 Ų38.93%0.02722%0.223CC..G310 helixtrans-86.1-5.4174.4-62.1-45.7000113.2R90 H102 L118 Q119 V120 Y126 V145R90-D122 PolarHBondContact NH1-O 3.19Å; R90-D122 IonicContact NH2-OD1 3.93Å; H102-D122 IonicContact CD2-OD1 3.52Å; H102-D122 PolarHBondContact CD2-OD1 3.02Å; H102-D122 IonicContact CE1-OD2 3.5Å; H102-D122 IonicContact NE2-OD1 3.44Å; H102-D122 PolarHBondContact NE2-OD1 3.21Å; H102-D122 IonicContact NE2-OD2 3.18Å; H102-D122 PolarHBondContact NE2-OD2 2.82Å; L118-D122 HydrophobicContact CD1-CB 3.63Å; L118-D122 HydrophobicContact CG-CB 4.44Å; Q119-D122 PolarHBondContact N-OD2 2.87Å; Q119-D122 VanDerWaalsContact O-CB 3.31Å; Q119-D122 WeakPolarHBondContact O-CB 3.35Å; Q119-D122 PolarHBondContact O-N 3.23Å; V120-D122 PolarHBondContact O-N 2.84Å; D122-Y126 WeakPolarHBondContact O-CE2 3.24Å; D122-Y126 PolarHBondContact O-OH 3.38Å; D122-V145 HydrophobicContact CB-CG2 4.41Å
123S86.6Confident85.2Confident34 Ų3442.9 Ų42.924%0.23827%0.265CS..  trans-58.3152.7169.9-52.10000112.3R90 V120 S121 V143 V145R90-S123 WeakPolarHBondContact CD-O 3.31Å; R90-S123 PolarHBondContact NH1-O 3.32Å; V120-S123 WeakPolarHBondContact O-CB 3.38Å; V120-S123 PolarHBondContact O-N 2.92Å; V120-S123 VanDerWaalsContact O-N 3.13Å; V120-S123 PolarHBondContact O-OG 2.87Å; S121-S123 VanDerWaalsContact C-N 3.33Å; S123-V143 CarbonylContact C-O 3.6Å; S123-V143 VanDerWaalsContact CA-O 3.25Å; S123-V143 WeakPolarHBondContact CA-O 3.18Å; S123-V145 PolarHBondContact OG-N 2.89Å; S123-V145 PolarHBondContact OG-O 3.26Å
124G87.8Confident84.8Confident23 Ų2349.7 Ų49.724%0.23729%0.294CS..EExtended strand (participates in β ladder)trans132.6-166.1174.800000113.8Y126 V143G124-Y126 WeakPolarHBondContact O-CD2 3.4Å; G124-V143 PolarHBondContact N-O 3.23Å; G124-V143 PolarHBondContact O-N 3.44Å
125N90.8Very high84.5Confident87 Ų8751 Ų5147%0.46531%0.309SS..EExtended strand (participates in β ladder)trans-90.4129.6-175-66.9-7.8000111.6R90 T140 F141R90-N125 PolarHBondContact N-O 3.47Å; N125-T140 HydrophobicContact CB-CG2 3.91Å; N125-F141 WeakPolarHBondContact CA-O 3.49Å
126Y91Very high84.9Confident0 Ų054.4 Ų54.40%032%0.32CS..EExtended strand (participates in β ladder)trans-116.7108.2177-74.3-111000108.4L47 L49 V89 Y103 L112 V114 D122 G124 T140 F141 V143L47-Y126 HydrophobicContact CD2-CE1 4.36Å; L49-Y126 HydrophobicContact CD1-CD1 3.66Å; L49-Y126 HydrophobicContact CD1-CE1 4.47Å; L49-Y126 HydrophobicContact CD1-CG 3.76Å; V89-Y126 HydrophobicContact CB-CD1 4.3Å; V89-Y126 HydrophobicContact CB-CE1 4.23Å; V89-Y126 HydrophobicContact CG1-CD1 3.87Å; V89-Y126 HydrophobicContact CG1-CD2 4.34Å; V89-Y126 HydrophobicContact CG1-CE1 3.44Å; V89-Y126 VanDerWaalsContact CG1-CE1 3.44Å; V89-Y126 HydrophobicContact CG1-CE2 3.95Å; V89-Y126 HydrophobicContact CG1-CG 4.29Å; V89-Y126 VanDerWaalsContact CG1-CZ 3.47Å; V89-Y126 HydrophobicContact CG2-CD1 3.6Å; V89-Y126 HydrophobicContact CG2-CE1 3.73Å; V89-Y126 HydrophobicContact CG2-CG 4.38Å; Y103-Y126 HydrophobicContact CE1-CE1 4.3Å; L112-Y126 HydrophobicContact CD2-CD1 3.76Å; L112-Y126 HydrophobicContact CD2-CE1 4.15Å; V114-Y126 HydrophobicContact CG2-CE1 4.18Å; D122-Y126 WeakPolarHBondContact O-CE2 3.24Å; D122-Y126 PolarHBondContact O-OH 3.38Å; G124-Y126 WeakPolarHBondContact O-CD2 3.4Å; Y126-T140 WeakPolarHBondContact O-CA 3.46Å; Y126-F141 PolarHBondContact N-O 2.76Å; Y126-F141 WeakPolarHBondContact O-CD2 3.2Å; Y126-F141 PolarHBondContact O-N 2.88Å; Y126-V143 HydrophobicContact CD2-CB 3.96Å; Y126-V143 HydrophobicContact CD2-CG2 3.52Å; Y126-V143 HydrophobicContact CE2-CB 3.91Å; Y126-V143 HydrophobicContact CE2-CG2 3.87Å; Y126-V143 HydrophobicContact CG-CG2 4.2Å
127T91Very high85.4Confident20 Ų2051.9 Ų51.912%0.12331%0.305CS..EExtended strand (participates in β ladder)trans-104.6118-178.5-55.40000110.6W87 K88 E138 V139 T140W87-T127 CarbonylContact C-O 3.57Å; W87-T127 WeakPolarHBondContact CA-O 3.48Å; K88-T127 PolarHBondContact N-O 2.71Å; K88-T127 PolarHBondContact O-N 3.05Å; T127-E138 HydrophobicContact CG2-CB 4.14Å; T127-V139 CarbonylContact C-O 3.58Å; T127-V139 WeakPolarHBondContact CA-O 3.45Å; T127-T140 WeakPolarHBondContact CG2-OG1 3.31Å; T127-T140 PolarHBondContact OG1-OG1 3.45Å
128C91Very high86Confident0 Ų053.2 Ų53.20%030%0.304CS..EExtended strand (participates in β ladder)trans-85.2134.4162.8177.70000109.8C51 W87 E138 V139C51-C128 HydrophobicContact CB-CB 3.91Å; C51-C128 WeakPolarHBondContact CB-SG 3.46Å; C51-C128 WeakPolarHBondContact SG-CB 3.35Å; C51-C128 CovalentContact SG-SG 2.03Å; C51-C128 PolarHBondContact SG-SG 2.82Å; W87-C128 HydrophobicContact CD2-CB 4.17Å; W87-C128 HydrophobicContact CE3-CB 4.05Å; W87-C128 HydrophobicContact CH2-CB 3.9Å; W87-C128 HydrophobicContact CZ2-CB 4Å; W87-C128 HydrophobicContact CZ3-CB 3.92Å; C128-E138 WeakPolarHBondContact O-CA 3.35Å; C128-V139 PolarHBondContact N-O 3.12Å; C128-V139 PolarHBondContact O-N 2.98Å
129S90.1Very high86.1Confident9 Ų953.9 Ų53.96%0.06331%0.308CS..EExtended strand (participates in β ladder)trans-110123167.8-670000109.9Y85 N86 K136 R137Y85-S129 WeakPolarHBondContact CA-O 3.36Å; N86-S129 PolarHBondContact N-O 3.13Å; N86-S129 PolarHBondContact O-N 2.95Å; S129-K136 WeakPolarHBondContact OG-CE 3.26Å; S129-K136 PolarHBondContact OG-NZ 3.05Å; S129-K136 VanDerWaalsContact OG-NZ 3.11Å; S129-R137 WeakPolarHBondContact CA-O 3.42Å
130G88Confident86.4Confident0 Ų051.8 Ų51.80%030%0.302CS..EExtended strand (participates in β ladder)trans-97.2128.6163.600000109.6L61 K136 R137L61-G130 WeakPolarHBondContact CD1-O 3.36Å; G130-K136 WeakPolarHBondContact O-CA 3.42Å; G130-R137 PolarHBondContact N-O 3Å; G130-R137 PolarHBondContact O-N 3.35Å
131I87.3Confident86.7Confident51 Ų5148.4 Ų48.426%0.26228%0.281SS..EExtended strand (participates in β ladder)trans-126.7132.7-174-58.5162.4000109.7V83 I84 N86 K136V83-I131 CarbonylContact C-O 3.57Å; V83-I131 WeakPolarHBondContact CA-O 3.37Å; I84-I131 HydrophobicContact CB-CB 4.42Å; I84-I131 PolarHBondContact N-O 3.36Å; I84-I131 PolarHBondContact O-N 3.45Å; N86-I131 HydrophobicContact CB-CD1 4.41Å; I131-K136 HydrophobicContact CG1-CB 4.47Å; I131-K136 HydrophobicContact CG1-CD 4.25Å; I131-K136 HydrophobicContact CG1-CG 3.91Å
132T85.5Confident87Confident20 Ų2047.9 Ų47.912%0.12327%0.27CS..EExtended strand (participates in β ladder)trans-126.9172167.165.80000109.9I55 L61 V83 F134 G135I55-T132 HydrophobicContact CD1-CG2 4.24Å; L61-T132 HydrophobicContact CD1-CG2 4.08Å; L61-T132 HydrophobicContact CD2-CG2 3.87Å; L61-T132 HydrophobicContact CG-CG2 3.94Å; V83-T132 HydrophobicContact CB-CG2 4.48Å; V83-T132 HydrophobicContact CG2-CG2 3.86Å; T132-F134 PolarHBondContact O-N 3.15Å; T132-F134 PolarHBondContact OG1-N 3.25Å; T132-G135 PolarHBondContact N-O 3.21Å; T132-G135 PolarHBondContact O-N 3.34Å; T132-G135 VanDerWaalsContact O-O 3.13Å
133G78.7Confident87Confident84 Ų8447.7 Ų47.787%0.86627%0.269SS*.THydrogen-bonded Turntrans-61.6-7.8172.300000115.2
134F80.1Confident86.9Confident197 Ų19748.9 Ų48.986%0.86427%0.271SS*.THydrogen-bonded Turntrans-110.6-8.9-179.6-58.7-72.7000113.9T132T132-F134 PolarHBondContact O-N 3.15Å; T132-F134 PolarHBondContact OG1-N 3.25Å
135G80Confident86.7Confident35 Ų3548 Ų4836%0.36126%0.261SS..EExtended strand (participates in β ladder)trans165.6-177179.200000115.1L61 T132L61-G135 WeakPolarHBondContact CD1-O 3.36Å; T132-G135 PolarHBondContact N-O 3.21Å; T132-G135 PolarHBondContact O-N 3.34Å; T132-G135 VanDerWaalsContact O-O 3.13Å
136K87.5Confident85.9Confident116 Ų11646.7 Ų46.750%0.50425%0.25SC..EExtended strand (participates in β ladder)trans-130.3140.6178.6-175.7180-167-157.10109.7S129 G130 I131 E138S129-K136 WeakPolarHBondContact OG-CE 3.26Å; S129-K136 PolarHBondContact OG-NZ 3.05Å; S129-K136 VanDerWaalsContact OG-NZ 3.11Å; G130-K136 WeakPolarHBondContact O-CA 3.42Å; I131-K136 HydrophobicContact CG1-CB 4.47Å; I131-K136 HydrophobicContact CG1-CD 4.25Å; I131-K136 HydrophobicContact CG1-CG 3.91Å; K136-E138 HydrophobicContact CD-CG 4.43Å; K136-E138 WeakPolarHBondContact CE-OE1 3.34Å; K136-E138 HydrophobicContact CG-CG 4.4Å; K136-E138 IonicContact NZ-OE1 3.3Å; K136-E138 PolarHBondContact NZ-OE1 2.71Å
137R85Confident85.1Confident76 Ų7649.3 Ų49.329%0.28726%0.264SS..EExtended strand (participates in β ladder)trans-128.1146.5169-166.7163.4-177.9144.20.4108.8I53 L61 S63 S129 G130I53-R137 HydrophobicContact CD1-CB 4.39Å; I53-R137 VanDerWaalsContact CD1-O 3.3Å; I53-R137 WeakPolarHBondContact CD1-O 3.37Å; I53-R137 HydrophobicContact CG2-CB 4.39Å; L61-R137 HydrophobicContact CB-CB 3.92Å; L61-R137 HydrophobicContact CD1-CB 4.32Å; L61-R137 WeakPolarHBondContact O-CD 3.48Å; L61-R137 PolarHBondContact O-NH1 3.49Å; S63-R137 VanDerWaalsContact N-NE 3.16Å; S63-R137 VanDerWaalsContact OG-CZ 3.32Å; S63-R137 PolarHBondContact OG-NE 3.07Å; S63-R137 PolarHBondContact OG-NH2 2.69Å; S129-R137 WeakPolarHBondContact CA-O 3.42Å; G130-R137 PolarHBondContact N-O 3Å; G130-R137 PolarHBondContact O-N 3.35Å
138E89.2Confident84.1Confident108 Ų10852.1 Ų52.151%0.50528%0.282SS..EExtended strand (participates in β ladder)trans-128145.6-176.7-61.3-174-175.400110.5T127 C128 K136T127-E138 HydrophobicContact CG2-CB 4.14Å; C128-E138 WeakPolarHBondContact O-CA 3.35Å; K136-E138 HydrophobicContact CD-CG 4.43Å; K136-E138 WeakPolarHBondContact CE-OE1 3.34Å; K136-E138 HydrophobicContact CG-CG 4.4Å; K136-E138 IonicContact NZ-OE1 3.3Å; K136-E138 PolarHBondContact NZ-OE1 2.71Å
139V87.2Confident82.9Confident16 Ų1658.3 Ų58.310%0.09732%0.316CS..EExtended strand (participates in β ladder)trans-137.4129.5172.6174.70000108P52 I53 T127 C128 F141P52-V139 HydrophobicContact CG-CB 4.4Å; P52-V139 HydrophobicContact CG-CG1 4.01Å; P52-V139 HydrophobicContact CG-CG2 4.24Å; I53-V139 HydrophobicContact CD1-CB 4.48Å; I53-V139 HydrophobicContact CD1-CG2 4.03Å; I53-V139 HydrophobicContact CG1-CG2 3.82Å; T127-V139 CarbonylContact C-O 3.58Å; T127-V139 WeakPolarHBondContact CA-O 3.45Å; C128-V139 PolarHBondContact N-O 3.12Å; C128-V139 PolarHBondContact O-N 2.98Å; V139-F141 HydrophobicContact CG1-CZ 4.41Å
140T88.7Confident81.7Confident54 Ų5460.1 Ų60.133%0.33133%0.326SS..EExtended strand (participates in β ladder)trans-114.1125.6-178.7-59.20000110.8N125 Y126 T127N125-T140 HydrophobicContact CB-CG2 3.91Å; Y126-T140 WeakPolarHBondContact O-CA 3.46Å; T127-T140 WeakPolarHBondContact CG2-OG1 3.31Å; T127-T140 PolarHBondContact OG1-OG1 3.45Å
141F87.9Confident80.5Confident4 Ų466.2 Ų66.22%0.01836%0.359CS..EExtended strand (participates in β ladder)trans-94.2144167.7-46.5-85.6000109.5V32 N37 I39 L49 W87 N125 Y126 V139V32-F141 HydrophobicContact CB-CE1 4.3Å; V32-F141 HydrophobicContact CG1-CD1 4.22Å; V32-F141 HydrophobicContact CG1-CE1 3.98Å; N37-F141 WeakPolarHBondContact O-CA 3.39Å; I39-F141 HydrophobicContact CD1-CB 4.05Å; I39-F141 HydrophobicContact CD1-CD1 4.15Å; I39-F141 HydrophobicContact CD1-CG 4.37Å; L49-F141 HydrophobicContact CB-CE2 4.48Å; L49-F141 HydrophobicContact CD1-CD2 4.08Å; L49-F141 HydrophobicContact CD1-CG 4.48Å; L49-F141 HydrophobicContact CD2-CG 4.35Å; W87-F141 HydrophobicContact CH2-CD2 4.46Å; W87-F141 AromaticContact CH2-CE2 3.78Å; W87-F141 HydrophobicContact CH2-CE2 3.78Å; W87-F141 HydrophobicContact CZ3-CD2 4.06Å; W87-F141 AromaticContact CZ3-CE2 3.8Å; W87-F141 HydrophobicContact CZ3-CE2 3.8Å; N125-F141 WeakPolarHBondContact CA-O 3.49Å; Y126-F141 PolarHBondContact N-O 2.76Å; Y126-F141 WeakPolarHBondContact O-CD2 3.2Å; Y126-F141 PolarHBondContact O-N 2.88Å; V139-F141 HydrophobicContact CG1-CZ 4.41Å
142E87.1Confident79.7Confident66 Ų6666 Ų6631%0.30836%0.358SS..EExtended strand (participates in β ladder)trans-112.7101.9178.9-171.4-167.1153.600108.1N37 Q38 I39 H144N37-E142 PolarHBondContact O-N 2.81Å; Q38-E142 WeakPolarHBondContact CA-O 3.47Å; Q38-E142 HydrophobicContact CG-CB 4.23Å; Q38-E142 WeakPolarHBondContact CG-OE2 3.17Å; Q38-E142 PolarHBondContact NE2-OE1 2.92Å; Q38-E142 VanDerWaalsContact NE2-OE1 3.11Å; Q38-E142 PolarHBondContact NE2-OE2 3.21Å; I39-E142 PolarHBondContact N-O 2.98Å; E142-H144 IonicContact OE1-CD2 3.85Å; E142-H144 IonicContact OE1-CE1 2.66Å; E142-H144 IonicContact OE1-NE2 3.14Å; E142-H144 PolarHBondContact OE1-NE2 2.91Å
143V87.2Confident79.4Confident1 Ų168.5 Ų68.51%0.00637%0.37CS..EExtended strand (participates in β ladder)trans-98.1129-172.2-177.50000110.4I39 L47 L49 S123 G124 Y126 V145I39-V143 HydrophobicContact CB-CG2 4.41Å; I39-V143 HydrophobicContact CD1-CG2 4.4Å; I39-V143 CarbonylContact O-C 3.55Å; I39-V143 WeakPolarHBondContact O-CA 2.74Å; L47-V143 HydrophobicContact CD1-CG1 4.27Å; L47-V143 HydrophobicContact CD1-CG2 4.31Å; L47-V143 HydrophobicContact CD2-CG1 3.92Å; L49-V143 HydrophobicContact CD1-CG2 4.49Å; S123-V143 CarbonylContact C-O 3.6Å; S123-V143 VanDerWaalsContact CA-O 3.25Å; S123-V143 WeakPolarHBondContact CA-O 3.18Å; G124-V143 PolarHBondContact N-O 3.23Å; G124-V143 PolarHBondContact O-N 3.44Å; Y126-V143 HydrophobicContact CD2-CB 3.96Å; Y126-V143 HydrophobicContact CD2-CG2 3.52Å; Y126-V143 HydrophobicContact CE2-CB 3.91Å; Y126-V143 HydrophobicContact CE2-CG2 3.87Å; Y126-V143 HydrophobicContact CG-CG2 4.2Å; V143-V145 HydrophobicContact CG1-CG2 4.04Å
144H83.8Confident79.6Confident59 Ų5967.4 Ų67.427%0.27335%0.348SS..EExtended strand (participates in β ladder)trans-122.9107.1179.7-72.3-88.8000110I39 R40 L41 E142I39-H144 PolarHBondContact O-N 2.74Å; R40-H144 WeakPolarHBondContact CA-O 3.42Å; R40-H144 HydrophobicContact CG-CB 4.11Å; L41-H144 PolarHBondContact N-O 2.82Å; E142-H144 IonicContact OE1-CD2 3.85Å; E142-H144 IonicContact OE1-CE1 2.66Å; E142-H144 IonicContact OE1-NE2 3.14Å; E142-H144 PolarHBondContact OE1-NE2 2.91Å
145V83.7Confident79.7Confident4 Ų458.3 Ų58.32%0.02431%0.31CS..EExtended strand (participates in β ladder)trans-103.7128.6178.4-170.80000109.7L41 V43 L118 Q119 D122 S123 V143L41-V145 WeakPolarHBondContact O-CA 3.37Å; V43-V145 HydrophobicContact CG2-CG1 4.17Å; L118-V145 HydrophobicContact CD1-CG2 4.29Å; L118-V145 HydrophobicContact CD2-CB 4.5Å; L118-V145 HydrophobicContact CD2-CG1 3.94Å; L118-V145 HydrophobicContact CD2-CG2 3.7Å; L118-V145 HydrophobicContact CG-CG1 3.95Å; L118-V145 HydrophobicContact CG-CG2 3.89Å; Q119-V145 WeakPolarHBondContact O-CB 3.3Å; Q119-V145 WeakPolarHBondContact O-CG1 3.3Å; D122-V145 HydrophobicContact CB-CG2 4.41Å; S123-V145 PolarHBondContact OG-N 2.89Å; S123-V145 PolarHBondContact OG-O 3.26Å; V143-V145 HydrophobicContact CG1-CG2 4.04Å
146R73.5Confident79.7Confident60 Ų6062.3 Ų62.323%0.22633%0.327CS..EExtended strand (participates in β ladder)trans-119.7140.7176.1-64-149.4-143.8141.111113.9L41 Q42 V43 P148 E197L41-R146 PolarHBondContact O-N 2.98Å; Q42-R146 CarbonylContact C-O 3.08Å; Q42-R146 VanDerWaalsContact CA-O 3.23Å; Q42-R146 WeakPolarHBondContact CA-O 3.34Å; V43-R146 PolarHBondContact N-O 2.92Å; R146-P148 WeakPolarHBondContact O-CD 3.32Å; R146-E197 IonicContact CZ-OE2 2.77Å; R146-E197 IonicContact NH1-OE2 2.78Å; R146-E197 PolarHBondContact NH1-OE2 3.05Å
147D75.2Confident79.3Confident55 Ų5560.1 Ų60.129%0.29432%0.324SS..  trans-79.3116.3164.6176.611.9000109.9V43 V120 N149 V150V43-D147 HydrophobicContact CB-CB 4.48Å; V43-D147 HydrophobicContact CG2-CB 3.87Å; V120-D147 HydrophobicContact CG2-CB 3.8Å; D147-N149 PolarHBondContact O-N 3.03Å; D147-N149 VanDerWaalsContact OD1-CB 3.28Å; D147-N149 WeakPolarHBondContact OD1-CB 3.39Å; D147-N149 PolarHBondContact OD1-N 2.85Å; D147-N149 PolarHBondContact OD1-ND2 2.79Å; D147-V150 HydrophobicContact CB-CG2 3.79Å; D147-V150 PolarHBondContact O-N 2.77Å
148P69.5Low78.7Confident80 Ų8062.7 Ų62.752%0.51934%0.344SS..THydrogen-bonded Turntrans-71-13.1178.130.7-35.9000113.5R146 V150R146-P148 WeakPolarHBondContact O-CD 3.32Å; P148-V150 VanDerWaalsContact C-N 3.28Å; P148-V150 PolarHBondContact O-N 2.8Å
149N65.3Low77.9Confident130 Ų13061.4 Ų61.470%0.69534%0.34SS*.THydrogen-bonded Turntrans-81.9-6.4179.4-54.2-80.5000113D147 N151D147-N149 PolarHBondContact O-N 3.03Å; D147-N149 VanDerWaalsContact OD1-CB 3.28Å; D147-N149 WeakPolarHBondContact OD1-CB 3.39Å; D147-N149 PolarHBondContact OD1-N 2.85Å; D147-N149 PolarHBondContact OD1-ND2 2.79Å; N149-N151 PolarHBondContact O-N 2.8Å
150V64.5Low77Confident47 Ų4769.3 Ų69.329%0.28538%0.375SS..SBendtrans-72.1114.3178176.60000109.8D147 P148 L152 T172D147-V150 HydrophobicContact CB-CG2 3.79Å; D147-V150 PolarHBondContact O-N 2.77Å; P148-V150 VanDerWaalsContact C-N 3.28Å; P148-V150 PolarHBondContact O-N 2.8Å; V150-L152 VanDerWaalsContact C-N 3.34Å; V150-L152 HydrophobicContact CB-CD2 4.35Å; V150-L152 HydrophobicContact CG1-CD2 3.71Å; V150-L152 PolarHBondContact O-N 2.91Å; V150-T172 HydrophobicContact CG1-CG2 3.47Å; V150-T172 VanDerWaalsContact CG1-CG2 3.47Å
151N64.6Low75.6Confident128 Ų12874 Ų7468%0.68440%0.399SS*.  trans-62.792.6168.3-72-23.3000110.3N149 K175N149-N151 PolarHBondContact O-N 2.8Å; N151-K175 WeakPolarHBondContact O-CD 3.24Å; N151-K175 WeakPolarHBondContact O-CE 3.35Å; N151-K175 PolarHBondContact O-NZ 2.82Å
152L70.6Confident74.7Confident46 Ų4677.3 Ų77.324%0.24142%0.419CS..  trans-73.9160.2174.2-58.4-179.6000111.3V150 C154 C168 F169V150-L152 VanDerWaalsContact C-N 3.34Å; V150-L152 HydrophobicContact CB-CD2 4.35Å; V150-L152 HydrophobicContact CG1-CD2 3.71Å; V150-L152 PolarHBondContact O-N 2.91Å; L152-C154 PolarHBondContact O-N 3.47Å; L152-C168 HydrophobicContact CB-CB 3.98Å; L152-C168 HydrophobicContact CD1-CB 3.99Å; L152-F169 WeakPolarHBondContact CD2-O 3.46Å
153L77.7Confident74.3Confident73 Ų7384.9 Ų84.938%0.38245%0.451SS..  trans-83.2108.2170.1-175.662.2000109C168 F169 L251L153-C168 CarbonylContact O-C 3.42Å; L153-C168 VanDerWaalsContact O-CA 3.27Å; L153-C168 WeakPolarHBondContact O-CA 3.46Å; L153-F169 HydrophobicContact CB-CD2 4.41Å; L153-F169 HydrophobicContact CD2-CD2 4.16Å; L153-F169 HydrophobicContact CG-CD2 4.45Å; L153-F169 PolarHBondContact O-N 3.19Å; L153-L251 HydrophobicContact CG-CD2 4.38Å; L153-L251 WeakPolarHBondContact O-CD1 3.35Å
154C82.4Confident74Confident60 Ų6086.1 Ų86.141%0.40546%0.461SS..BIsolated β-bridgetrans-106.9150.5-177.8-62.10000112.4L152 P167 C168L152-C154 PolarHBondContact O-N 3.47Å; C154-P167 WeakPolarHBondContact CA-O 3.39Å; C154-C168 HydrophobicContact CB-CB 4.02Å; C154-C168 WeakPolarHBondContact CB-SG 3.39Å; C154-C168 WeakPolarHBondContact SG-CB 3.45Å; C154-C168 CovalentContact SG-SG 2.04Å; C154-C168 PolarHBondContact SG-SG 3.11Å
155A83Confident74.1Confident7 Ų787.7 Ų87.76%0.05847%0.467CS..PPolyproline II helixtrans-63.5147.5170.700000111.3A166 P167 S250 L251A155-A166 HydrophobicContact CB-CB 4.33Å; A155-P167 HydrophobicContact CB-CG 3.9Å; A155-P167 PolarHBondContact N-O 3Å; A155-S250 WeakPolarHBondContact CB-O 3.22Å; A155-L251 HydrophobicContact CB-CD2 4.39Å; A155-L251 HydrophobicContact CB-CG 3.96Å
156V80.5Confident74.2Confident118 Ų11888.2 Ų88.272%0.71547%0.472SS*.PPolyproline II helixtrans-62.7128.9161.6-177.10000108N158V156-N158 PolarHBondContact O-N 3.16Å
157P77.9Confident74.9Confident70 Ų7085.4 Ų85.446%0.45546%0.462SS..PPolyproline II helixtrans-73.9121.5177.529.1-33.3000110.6I159 V248P157-I159 PolarHBondContact O-N 2.99Å; P157-V248 HydrophobicContact CB-CG1 3.66Å
158N72.9Confident75.5Confident131 Ų13183 Ų8370%0.70145%0.449SS*.SBendtrans-77.2-8.6173.9-65.1-28000112.8V156 V248V156-N158 PolarHBondContact O-N 3.16Å; N158-V248 WeakPolarHBondContact CB-O 3.48Å; N158-V248 PolarHBondContact N-O 2.66Å
159I72.6Confident76.3Confident81 Ų8179.3 Ų79.342%0.41543%0.425SS..  trans-137.8104.6-177-47.4179.8000109.2P157 N161 T162 L247P157-I159 PolarHBondContact O-N 2.99Å; I159-N161 VanDerWaalsContact C-N 3.29Å; I159-N161 PolarHBondContact O-N 3.27Å; I159-T162 HydrophobicContact CB-CG2 4.49Å; I159-T162 HydrophobicContact CG2-CG2 3.79Å; I159-L247 WeakPolarHBondContact CD1-O 3.22Å
160E67.8Low77Confident181 Ų18174.8 Ų74.885%0.84640%0.4SS*.SBendtrans-71.4-18.1-172.3-59.7-179.1142.900114.4
161N59.5Low77.5Confident154 Ų15475.7 Ų75.782%0.82440%0.404SS*.SBendtrans-122.362.2-171.6-86.2-62.1000113.2I159I159-N161 VanDerWaalsContact C-N 3.29Å; I159-N161 PolarHBondContact O-N 3.27Å
162T69Low77.6Confident73 Ų7373.3 Ų73.345%0.44839%0.394SS..  trans-136.6152.916960.50000112I159 A164I159-T162 HydrophobicContact CB-CG2 4.49Å; I159-T162 HydrophobicContact CG2-CG2 3.79Å; T162-A164 PolarHBondContact O-N 2.87Å
163K80.2Confident77.5Confident225 Ų22573.2 Ų73.298%0.97840%0.399SS*.SBendtrans-73.219.7171.7-71-175.2169.8-179.10113.3
164A80.9Confident77.3Confident26 Ų2669.8 Ų69.822%0.21538%0.382CS..  trans-108.5135.7-169.600000111.3T162 T199 V248T162-A164 PolarHBondContact O-N 2.87Å; A164-T199 VanDerWaalsContact CA-OG1 3.25Å; A164-T199 WeakPolarHBondContact CA-OG1 3.28Å; A164-T199 HydrophobicContact CB-CG2 3.9Å; A164-V248 HydrophobicContact CB-CG2 3.34Å
165K84.5Confident76.2Confident92 Ų9272.1 Ų72.140%0.439%0.385SS..PPolyproline II helixtrans-83129.2177.8-176174.1169.5177.90109.3E197 T199 N246K165-E197 IonicContact NZ-OE1 3.95Å; K165-E197 PolarHBondContact NZ-OE1 3.06Å; K165-E197 IonicContact NZ-OE2 2.71Å; K165-E197 PolarHBondContact NZ-OE2 3.29Å; K165-T199 PolarHBondContact N-OG1 3.22Å; K165-T199 PolarHBondContact O-N 3.22Å; K165-N246 PolarHBondContact O-ND2 3.25Å
166A86Confident75Confident16 Ų1677 Ų7713%0.13241%0.414CS..PPolyproline II helixtrans-59.3151.2170.100000110.8A155 C168 V248A155-A166 HydrophobicContact CB-CB 4.33Å; A166-C168 PolarHBondContact O-N 3.05Å; A166-V248 HydrophobicContact CB-CB 4.47Å; A166-V248 HydrophobicContact CB-CG1 3.97Å
167P88.6Confident73.9Confident0 Ų076.3 Ų76.30%041%0.407CS..PPolyproline II helixtrans-68.5133.9177.129.2-32.8000109.4C154 A155 E197 V244 N246 L251C154-P167 WeakPolarHBondContact CA-O 3.39Å; A155-P167 HydrophobicContact CB-CG 3.9Å; A155-P167 PolarHBondContact N-O 3Å; P167-E197 CarbonylContact C-O 3.6Å; P167-E197 WeakPolarHBondContact CA-O 3.48Å; P167-V244 HydrophobicContact CB-CG1 3.76Å; P167-V244 HydrophobicContact CG-CG1 4.44Å; P167-N246 WeakPolarHBondContact CD-OD1 3.32Å; P167-L251 WeakPolarHBondContact O-CD1 3.19Å
168C87.1Confident73.4Confident5 Ų577.7 Ų77.73%0.03442%0.416CS..EExtended strand (participates in β ladder)trans-125.8130.1175.8-53.10000109.5L152 L153 C154 A166 I170 A196 E197L152-C168 HydrophobicContact CB-CB 3.98Å; L152-C168 HydrophobicContact CD1-CB 3.99Å; L153-C168 CarbonylContact O-C 3.42Å; L153-C168 VanDerWaalsContact O-CA 3.27Å; L153-C168 WeakPolarHBondContact O-CA 3.46Å; C154-C168 HydrophobicContact CB-CB 4.02Å; C154-C168 WeakPolarHBondContact CB-SG 3.39Å; C154-C168 WeakPolarHBondContact SG-CB 3.45Å; C154-C168 CovalentContact SG-SG 2.04Å; C154-C168 PolarHBondContact SG-SG 3.11Å; A166-C168 PolarHBondContact O-N 3.05Å; C168-I170 PolarHBondContact O-N 2.85Å; C168-A196 CarbonylContact O-C 3.6Å; C168-A196 WeakPolarHBondContact O-CA 3.01Å; C168-A196 WeakPolarHBondContact O-CB 3.07Å; C168-E197 PolarHBondContact N-O 3.45Å; C168-E197 PolarHBondContact O-N 2.8Å
169F87.1Confident73.5Confident2 Ų274.3 Ų74.31%0.00940%0.402CS..EExtended strand (participates in β ladder)trans-61.8134.4173.8-74.3-55.5000110.7L152 L153 L174 C194 A196 V244 L251 Y253L152-F169 WeakPolarHBondContact CD2-O 3.46Å; L153-F169 HydrophobicContact CB-CD2 4.41Å; L153-F169 HydrophobicContact CD2-CD2 4.16Å; L153-F169 HydrophobicContact CG-CD2 4.45Å; L153-F169 PolarHBondContact O-N 3.19Å; F169-L174 HydrophobicContact CB-CB 4.36Å; F169-L174 HydrophobicContact CB-CD1 3.97Å; F169-L174 HydrophobicContact CD1-CD1 3.89Å; F169-L174 HydrophobicContact CG-CD1 3.9Å; F169-C194 HydrophobicContact CD1-CB 4.41Å; F169-C194 HydrophobicContact CE1-CB 3.88Å; F169-A196 HydrophobicContact CD1-CB 4.45Å; F169-V244 HydrophobicContact CD1-CG2 4.35Å; F169-V244 HydrophobicContact CE1-CG2 3.5Å; F169-V244 HydrophobicContact CZ-CG2 4.1Å; F169-L251 HydrophobicContact CD2-CB 4.4Å; F169-L251 HydrophobicContact CD2-CD1 3.72Å; F169-L251 HydrophobicContact CE2-CB 3.65Å; F169-L251 HydrophobicContact CE2-CD1 3.83Å; F169-L251 HydrophobicContact CE2-CD2 4.43Å; F169-L251 HydrophobicContact CE2-CG 4.18Å; F169-L251 HydrophobicContact CG-CD1 4.22Å; F169-L251 HydrophobicContact CZ-CB 3.76Å; F169-L251 HydrophobicContact CZ-CD1 4.4Å; F169-Y253 HydrophobicContact CE2-CD2 4.27Å; F169-Y253 HydrophobicContact CE2-CG 4.49Å
170I79.4Confident73.9Confident35 Ų3572.9 Ų72.918%0.17940%0.395CS..SBendtrans-79.5-42-176.3-62169.2000111.1C168 T172 E195 E197C168-I170 PolarHBondContact O-N 2.85Å; I170-T172 PolarHBondContact O-N 2.74Å; I170-E195 HydrophobicContact CD1-CB 3.92Å; I170-E195 VanDerWaalsContact CD1-CD 3.46Å; I170-E195 HydrophobicContact CD1-CG 3.58Å; I170-E195 WeakPolarHBondContact CG1-O 3.49Å; I170-E195 PolarHBondContact N-O 3.11Å; I170-E197 HydrophobicContact CG1-CB 4.25Å
171D75.1Confident74.7Confident66 Ų6668.7 Ų68.735%0.35339%0.385SS..  trans-73.5121.6-178.1-179.77.9000111.2A173 L174D171-A173 PolarHBondContact O-N 3.04Å; D171-A173 WeakPolarHBondContact OD1-CB 3.49Å; D171-A173 PolarHBondContact OD1-N 3.41Å; D171-L174 HydrophobicContact CB-CD1 4.06Å; D171-L174 HydrophobicContact CB-CG 4Å; D171-L174 WeakPolarHBondContact O-CB 3.39Å; D171-L174 PolarHBondContact O-N 3.27Å
172T67.6Low76Confident79 Ų7962.9 Ų62.949%0.48535%0.354SS..G310 helixtrans-69.9-17179.463.60000113.5V150 I170 L174 K175V150-T172 HydrophobicContact CG1-CG2 3.47Å; V150-T172 VanDerWaalsContact CG1-CG2 3.47Å; I170-T172 PolarHBondContact O-N 2.74Å; T172-L174 PolarHBondContact O-N 2.98Å; T172-K175 WeakPolarHBondContact O-CB 3.39Å; T172-K175 PolarHBondContact O-N 2.94Å
173A68Low76.9Confident43 Ų4366.3 Ų66.336%0.35537%0.365SS..G310 helixtrans-62.6-28.717100000112D171 K175 T176 I180D171-A173 PolarHBondContact O-N 3.04Å; D171-A173 WeakPolarHBondContact OD1-CB 3.49Å; D171-A173 PolarHBondContact OD1-N 3.41Å; A173-K175 PolarHBondContact O-N 2.85Å; A173-K175 VanDerWaalsContact O-N 3.11Å; A173-T176 PolarHBondContact O-OG1 3.03Å; A173-I180 HydrophobicContact CB-CD1 4.49Å
174L72.9Confident77.1Confident2 Ų260.2 Ų60.21%0.0134%0.336CS..G310 helixtrans-75.54.8-179.6-47.6-178.9000113.3F169 D171 T172 I180 Y253 Y255F169-L174 HydrophobicContact CB-CB 4.36Å; F169-L174 HydrophobicContact CB-CD1 3.97Å; F169-L174 HydrophobicContact CD1-CD1 3.89Å; F169-L174 HydrophobicContact CG-CD1 3.9Å; D171-L174 HydrophobicContact CB-CD1 4.06Å; D171-L174 HydrophobicContact CB-CG 4Å; D171-L174 WeakPolarHBondContact O-CB 3.39Å; D171-L174 PolarHBondContact O-N 3.27Å; T172-L174 PolarHBondContact O-N 2.98Å; L174-I180 HydrophobicContact CD2-CD1 4.16Å; L174-Y253 HydrophobicContact CB-CD2 3.99Å; L174-Y253 HydrophobicContact CB-CE2 3.76Å; L174-Y253 HydrophobicContact CD2-CD1 3.81Å; L174-Y253 HydrophobicContact CD2-CD2 4.46Å; L174-Y253 HydrophobicContact CD2-CE1 3.52Å; L174-Y253 HydrophobicContact CD2-CE2 4.22Å; L174-Y253 HydrophobicContact CD2-CG 4.28Å; L174-Y253 VanDerWaalsContact O-CE2 3.26Å; L174-Y253 WeakPolarHBondContact O-CE2 3.18Å; L174-Y255 HydrophobicContact CD2-CE1 4.25Å; L174-Y255 VanDerWaalsContact CD2-OH 3.31Å; L174-Y255 WeakPolarHBondContact CD2-OH 3.39Å
175K60.2Low76.9Confident109 Ų10962.1 Ų62.147%0.47434%0.342SS..G310 helixtrans-90.2-23.1-175.5-173.7173.1174.9168.90114.6N151 T172 A173N151-K175 WeakPolarHBondContact O-CD 3.24Å; N151-K175 WeakPolarHBondContact O-CE 3.35Å; N151-K175 PolarHBondContact O-NZ 2.82Å; T172-K175 WeakPolarHBondContact O-CB 3.39Å; T172-K175 PolarHBondContact O-N 2.94Å; A173-K175 PolarHBondContact O-N 2.85Å; A173-K175 VanDerWaalsContact O-N 3.11Å
176T57.3Low76.5Confident109 Ų10960.3 Ų60.367%0.66934%0.336SS*.SBendtrans-98-18.6-162.255.40000115.1A173A173-T176 PolarHBondContact O-OG1 3.03Å
177N57.3Low75.8Confident104 Ų10461.7 Ų61.756%0.55635%0.352SS*.  trans-156.4154.4172.5-98.5-57.9000109.5S179 Y253N177-S179 WeakPolarHBondContact CB-O 3.36Å; N177-S179 PolarHBondContact O-N 3.4Å; N177-S179 VanDerWaalsContact O-N 3.15Å; N177-Y253 WeakPolarHBondContact O-CE2 3.34Å; N177-Y253 VanDerWaalsContact O-CZ 3.31Å; N177-Y253 PolarHBondContact O-OH 2.84Å
178P67.4Low75.6Confident99 Ų9963.4 Ų63.464%0.64336%0.364SS*.SBendtrans-68-6171.530.5-35.9000113.4T254P178-T254 PolarHBondContact O-N 3.26Å
179S74.8Confident75.5Confident60 Ų6066 Ų6642%0.4238%0.383SS..EExtended strand (participates in β ladder)trans-148.8144.1172.961.90000115.2N177 T254N177-S179 WeakPolarHBondContact CB-O 3.36Å; N177-S179 PolarHBondContact O-N 3.4Å; N177-S179 VanDerWaalsContact O-N 3.15Å; S179-T254 WeakPolarHBondContact CA-O 3.3Å; S179-T254 WeakPolarHBondContact CB-O 3.45Å
180I82Confident75.5Confident51 Ų5166 Ų6626%0.26238%0.382SS..EExtended strand (participates in β ladder)trans-113.6133.5170-70.5157.4000109.4A173 L174 L182 Y253 T254 Y255 R256A173-I180 HydrophobicContact CB-CD1 4.49Å; L174-I180 HydrophobicContact CD2-CD1 4.16Å; I180-L182 HydrophobicContact CG2-CD1 3.78Å; I180-Y253 HydrophobicContact CD1-CE1 4.09Å; I180-Y253 VanDerWaalsContact CD1-OH 3.31Å; I180-Y253 WeakPolarHBondContact CD1-OH 3.4Å; I180-Y253 HydrophobicContact CG1-CE1 4.39Å; I180-Y253 VanDerWaalsContact CG1-OH 3.3Å; I180-Y253 WeakPolarHBondContact CG1-OH 3.46Å; I180-T254 PolarHBondContact N-O 3.08Å; I180-Y255 HydrophobicContact CB-CD1 4.23Å; I180-Y255 HydrophobicContact CD1-CE1 4.47Å; I180-Y255 CarbonylContact O-C 3.54Å; I180-Y255 WeakPolarHBondContact O-CA 3.17Å; I180-R256 PolarHBondContact O-N 2.98Å
181S84.6Confident75.9Confident93 Ų9368 Ų6865%0.6540%0.396SS*.EExtended strand (participates in β ladder)trans-88.8130.4170.250.80000111.8R256S181-R256 CarbonylContact C-O 3.55Å; S181-R256 WeakPolarHBondContact CA-O 3.39Å
182L87Confident76.4Confident32 Ų3265 Ų6517%0.16838%0.38CS..EExtended strand (participates in β ladder)trans-118.3132.9172.4-71.587.5000109.7I180 V190 F192 Y255 R256 L257 L258I180-L182 HydrophobicContact CG2-CD1 3.78Å; L182-V190 HydrophobicContact CD2-CG2 3.95Å; L182-F192 HydrophobicContact CD1-CD1 4.48Å; L182-F192 HydrophobicContact CD1-CE1 4.24Å; L182-F192 HydrophobicContact CD2-CE1 4.42Å; L182-Y255 HydrophobicContact CD1-CD1 3.74Å; L182-Y255 HydrophobicContact CD1-CG 4.42Å; L182-R256 PolarHBondContact N-O 2.82Å; L182-L257 HydrophobicContact CB-CD1 4.31Å; L182-L258 PolarHBondContact O-N 3.47Å
183E86.6Confident77.3Confident145 Ų14563.9 Ų63.968%0.67837%0.371SS*.EExtended strand (participates in β ladder)trans-104.1134.8170-56.6-165.116500110.2L258E183-L258 WeakPolarHBondContact CA-O 3.14Å; E183-L258 HydrophobicContact CG-CB 4.35Å; E183-L258 HydrophobicContact CG-CD2 4.32Å
184R85.8Confident78.2Confident97 Ų9761.9 Ų61.937%0.36635%0.354SS..EExtended strand (participates in β ladder)trans-142.9147.8-177.3-69.3-71.3172.9162.8-9.3111S189 V190 L257 L258 V259 S260R184-S189 PolarHBondContact NH1-O 2.98Å; R184-V190 HydrophobicContact CG-CB 3.97Å; R184-V190 HydrophobicContact CG-CG2 3.96Å; R184-L257 HydrophobicContact CB-CD1 4.09Å; R184-L257 HydrophobicContact CG-CD1 3.8Å; R184-L258 PolarHBondContact N-O 2.95Å; R184-V259 CarbonylContact O-C 3.59Å; R184-V259 WeakPolarHBondContact O-CA 3.45Å; R184-S260 PolarHBondContact O-N 2.84Å; R184-S260 PolarHBondContact O-OG 3.25Å
185L76Confident78.9Confident65 Ų6563.6 Ų63.634%0.3436%0.362SS..EExtended strand (participates in β ladder)trans-81.4149.2176.6-70.798.1000111.7G187 S188 S260 P262L185-G187 PolarHBondContact O-N 3.31Å; L185-S188 PolarHBondContact N-OG 2.81Å; L185-S188 WeakPolarHBondContact O-CB 3.4Å; L185-S188 PolarHBondContact O-N 2.87Å; L185-S188 PolarHBondContact O-OG 3.04Å; L185-S260 CarbonylContact C-O 3.58Å; L185-S260 VanDerWaalsContact CA-O 3.25Å; L185-S260 WeakPolarHBondContact CA-O 3.46Å; L185-P262 HydrophobicContact CD2-CB 3.94Å
186I75.9Confident80.1Confident55 Ų5558.6 Ų58.628%0.28234%0.342SS..THydrogen-bonded Turntrans-52.8132166.1-63.5176000109.5S188 V232 R234 V259 S260 E261I186-S188 VanDerWaalsContact C-N 3.28Å; I186-S188 PolarHBondContact O-N 2.88Å; I186-V232 CarbonylContact C-O 3.58Å; I186-V232 WeakPolarHBondContact CA-O 3.46Å; I186-R234 HydrophobicContact CD1-CG 3.44Å; I186-R234 VanDerWaalsContact CD1-CG 3.44Å; I186-R234 HydrophobicContact CG1-CG 4.15Å; I186-V259 HydrophobicContact CG1-CG1 3.62Å; I186-S260 PolarHBondContact N-O 2.79Å; I186-E261 HydrophobicContact CD1-CB 3.62Å; I186-E261 HydrophobicContact CD1-CG 3.68Å; I186-E261 HydrophobicContact CG1-CB 4.44Å
187G72.5Confident81.4Confident45 Ų4556.4 Ų56.446%0.46432%0.324SS..THydrogen-bonded Turntrans82.6-8.1-178.600000115.2L185 V232L185-G187 PolarHBondContact O-N 3.31Å; G187-V232 PolarHBondContact N-O 2.79Å
188S82.9Confident82.7Confident36 Ų3652.2 Ų52.225%0.25231%0.305SS..  trans-80.4168.3169.372.50000111.7L185 I186 V232L185-S188 PolarHBondContact N-OG 2.81Å; L185-S188 WeakPolarHBondContact O-CB 3.4Å; L185-S188 PolarHBondContact O-N 2.87Å; L185-S188 PolarHBondContact O-OG 3.04Å; I186-S188 VanDerWaalsContact C-N 3.28Å; I186-S188 PolarHBondContact O-N 2.88Å; S188-V232 VanDerWaalsContact O-CB 3.28Å; S188-V232 WeakPolarHBondContact O-CB 3.46Å; S188-V232 VanDerWaalsContact O-CG2 3.22Å; S188-V232 WeakPolarHBondContact O-CG2 3.37Å; S188-V232 PolarHBondContact O-N 2.81Å
189S84.4Confident83.6Confident60 Ų6049.8 Ų49.842%0.4229%0.289SS..  trans-98.9157.8173.160.40000112.6R184 I229 D230R184-S189 PolarHBondContact NH1-O 2.98Å; S189-I229 CarbonylContact C-O 3.49Å; S189-I229 VanDerWaalsContact CA-O 3.23Å; S189-I229 WeakPolarHBondContact CA-O 3.47Å; S189-D230 WeakPolarHBondContact CB-O 3.3Å
190V87.1Confident84.1Confident1 Ų152.7 Ų52.71%0.00630%0.296CS..EExtended strand (participates in β ladder)trans-143.1145.7171.468.40000111.6L182 R184 F192 T228 I229 V232 L257L182-V190 HydrophobicContact CD2-CG2 3.95Å; R184-V190 HydrophobicContact CG-CB 3.97Å; R184-V190 HydrophobicContact CG-CG2 3.96Å; V190-F192 HydrophobicContact CG1-CE2 4.11Å; V190-F192 HydrophobicContact CG1-CZ 4.08Å; V190-F192 HydrophobicContact CG2-CE1 4.17Å; V190-F192 HydrophobicContact CG2-CZ 4.12Å; V190-T228 WeakPolarHBondContact O-CA 3.49Å; V190-I229 HydrophobicContact CG1-CB 3.98Å; V190-I229 HydrophobicContact CG1-CD1 4.17Å; V190-I229 HydrophobicContact CG1-CG1 4.39Å; V190-I229 PolarHBondContact N-O 2.84Å; V190-I229 PolarHBondContact O-N 3.42Å; V190-V232 HydrophobicContact CB-CG2 4.2Å; V190-V232 HydrophobicContact CG1-CG2 3.62Å; V190-L257 HydrophobicContact CG1-CD1 4.35Å; V190-L257 HydrophobicContact CG1-CD2 4.01Å; V190-L257 HydrophobicContact CG2-CD1 4.3Å
191T87.8Confident84.3Confident77 Ų7753.9 Ų53.947%0.47231%0.307SS..EExtended strand (participates in β ladder)trans-129.9132.7178.3-49.40000109I226 L227T191-I226 HydrophobicContact CG2-CG2 3.48Å; T191-I226 VanDerWaalsContact CG2-CG2 3.48Å; T191-L227 CarbonylContact C-O 3.56Å; T191-L227 WeakPolarHBondContact CA-O 3.15Å
192F87.2Confident84.4Confident2 Ų250.4 Ų50.41%0.00928%0.28CS..EExtended strand (participates in β ladder)trans-110.4145.3171.3-48.5-77.7000108.9L182 V190 W206 I226 L227 I229 Y240 Y255 L257L182-F192 HydrophobicContact CD1-CD1 4.48Å; L182-F192 HydrophobicContact CD1-CE1 4.24Å; L182-F192 HydrophobicContact CD2-CE1 4.42Å; V190-F192 HydrophobicContact CG1-CE2 4.11Å; V190-F192 HydrophobicContact CG1-CZ 4.08Å; V190-F192 HydrophobicContact CG2-CE1 4.17Å; V190-F192 HydrophobicContact CG2-CZ 4.12Å; F192-W206 HydrophobicContact CB-CH2 3.57Å; F192-W206 HydrophobicContact CB-CZ3 3.88Å; F192-W206 HydrophobicContact CG-CZ3 4.5Å; F192-I226 CarbonylContact O-C 3.58Å; F192-I226 WeakPolarHBondContact O-CA 3.39Å; F192-L227 HydrophobicContact CB-CB 4.35Å; F192-L227 HydrophobicContact CD2-CB 4.17Å; F192-L227 HydrophobicContact CD2-CD2 3.94Å; F192-L227 HydrophobicContact CD2-CG 4.19Å; F192-L227 HydrophobicContact CE2-CD2 4.43Å; F192-L227 PolarHBondContact N-O 3.08Å; F192-L227 PolarHBondContact O-N 2.97Å; F192-I229 HydrophobicContact CE2-CD1 4.22Å; F192-Y240 HydrophobicContact CE2-CD2 4.04Å; F192-Y240 HydrophobicContact CE2-CE2 4.41Å; F192-Y240 HydrophobicContact CE2-CG 4.2Å; F192-Y240 AromaticContact CZ-CD2 3.82Å; F192-Y240 HydrophobicContact CZ-CD2 3.82Å; F192-Y240 HydrophobicContact CZ-CE2 4.29Å; F192-Y240 HydrophobicContact CZ-CG 4.33Å; F192-Y255 HydrophobicContact CB-CD2 3.89Å; F192-Y255 HydrophobicContact CB-CE2 3.79Å; F192-Y255 HydrophobicContact CB-CG 4.44Å; F192-Y255 AromaticContact CD1-CD1 3.87Å; F192-Y255 HydrophobicContact CD1-CD1 3.87Å; F192-Y255 AromaticContact CD1-CD2 3.68Å; F192-Y255 HydrophobicContact CD1-CD2 3.68Å; F192-Y255 HydrophobicContact CD1-CE1 4.46Å; F192-Y255 HydrophobicContact CD1-CE2 4.3Å; F192-Y255 AromaticContact CD1-CG 3.42Å; F192-Y255 HydrophobicContact CD1-CG 3.42Å; F192-Y255 VanDerWaalsContact CD1-CG 3.42Å; F192-Y255 HydrophobicContact CE1-CD2 4.5Å; F192-Y255 AromaticContact CE1-CG 3.98Å; F192-Y255 HydrophobicContact CE1-CG 3.98Å; F192-Y255 HydrophobicContact CG-CD2 4Å; F192-Y255 HydrophobicContact CG-CE2 4.4Å; F192-Y255 HydrophobicContact CG-CG 4.22Å; F192-L257 HydrophobicContact CZ-CB 4.19Å; F192-L257 HydrophobicContact CZ-CD1 4.47Å; F192-L257 HydrophobicContact CZ-CD2 4.2Å
193N86.7Confident84.5Confident57 Ų5755.2 Ų55.231%0.30530%0.3SS..EExtended strand (participates in β ladder)trans-136.6119.6-179.4-178.117.3000111.4E195 I226 Y255N193-E195 WeakPolarHBondContact OD1-CB 3.5Å; N193-E195 PolarHBondContact OD1-N 2.04Å; N193-I226 HydrophobicContact CB-CG1 4.34Å; N193-Y255 PolarHBondContact O-OH 2.87Å
194C86.7Confident84.5Confident0 Ų049.6 Ų49.60%027%0.273CS..  trans-126.831.9177.9-85.30000111.6F169 A196 Y204 W206 P225 C242 Y255F169-C194 HydrophobicContact CD1-CB 4.41Å; F169-C194 HydrophobicContact CE1-CB 3.88Å; C194-A196 PolarHBondContact O-N 2.95Å; C194-Y204 WeakPolarHBondContact O-CE1 3.37Å; C194-W206 HydrophobicContact CB-CH2 4.12Å; C194-W206 HydrophobicContact CB-CZ2 4.12Å; C194-P225 PolarHBondContact N-O 3.27Å; C194-C242 HydrophobicContact CB-CB 3.51Å; C194-C242 WeakPolarHBondContact CB-SG 3.26Å; C194-C242 VanDerWaalsContact SG-CB 3.52Å; C194-Y255 PolarHBondContact SG-OH 3.31Å
195E86.2Confident84.6Confident38 Ų3851.1 Ų51.118%0.17828%0.279CS..  trans-53.5135.7173.5-158-163.3161.200111.3R40 I170 N193 P225R40-E195 IonicContact CZ-OE1 2.63Å; R40-E195 IonicContact NH2-OE1 2.72Å; R40-E195 PolarHBondContact NH2-OE1 3.31Å; I170-E195 HydrophobicContact CD1-CB 3.92Å; I170-E195 VanDerWaalsContact CD1-CD 3.46Å; I170-E195 HydrophobicContact CD1-CG 3.58Å; I170-E195 WeakPolarHBondContact CG1-O 3.49Å; I170-E195 PolarHBondContact N-O 3.11Å; N193-E195 WeakPolarHBondContact OD1-CB 3.5Å; N193-E195 PolarHBondContact OD1-N 2.04Å; E195-P225 HydrophobicContact CB-CB 3.73Å; E195-P225 HydrophobicContact CB-CG 4.44Å; E195-P225 HydrophobicContact CG-CB 3.85Å; E195-P225 HydrophobicContact CG-CG 4.18Å
196A86.4Confident85.2Confident5 Ų548.1 Ų48.14%0.04126%0.263CS..EExtended strand (participates in β ladder)trans-134.4153.5-17400000111.4C168 F169 C194 I202 Y204 V244C168-A196 CarbonylContact O-C 3.6Å; C168-A196 WeakPolarHBondContact O-CA 3.01Å; C168-A196 WeakPolarHBondContact O-CB 3.07Å; F169-A196 HydrophobicContact CD1-CB 4.45Å; C194-A196 PolarHBondContact O-N 2.95Å; A196-I202 WeakPolarHBondContact O-CD1 3.36Å; A196-Y204 HydrophobicContact CB-CE1 4.25Å; A196-Y204 PolarHBondContact N-OH 3.48Å; A196-Y204 PolarHBondContact O-OH 3.2Å; A196-V244 HydrophobicContact CB-CB 4.4Å; A196-V244 HydrophobicContact CB-CG1 3.58Å; A196-V244 HydrophobicContact CB-CG2 4.13Å
197E84.5Confident85.8Confident63 Ų6347.5 Ų47.529%0.29426%0.258SS..EExtended strand (participates in β ladder)trans-117.5138.2177-163.9-136143.100110.5R146 K165 P167 C168 I170R146-E197 IonicContact CZ-OE2 2.77Å; R146-E197 IonicContact NH1-OE2 2.78Å; R146-E197 PolarHBondContact NH1-OE2 3.05Å; K165-E197 IonicContact NZ-OE1 3.95Å; K165-E197 PolarHBondContact NZ-OE1 3.06Å; K165-E197 IonicContact NZ-OE2 2.71Å; K165-E197 PolarHBondContact NZ-OE2 3.29Å; P167-E197 CarbonylContact C-O 3.6Å; P167-E197 WeakPolarHBondContact CA-O 3.48Å; C168-E197 PolarHBondContact N-O 3.45Å; C168-E197 PolarHBondContact O-N 2.8Å; I170-E197 HydrophobicContact CG1-CB 4.25Å
198G84.4Confident86.4Confident15 Ų1547.2 Ų47.216%0.15525%0.245CC..SBendtrans-179.7-168.217900000109.2E200G198-E200 PolarHBondContact O-N 3.07Å
199T86.7Confident86.5Confident49 Ų4947.9 Ų47.930%0.30126%0.257SS..SBendtrans-73.7123.7170.4-67.10000110.4A164 K165 N246A164-T199 VanDerWaalsContact CA-OG1 3.25Å; A164-T199 WeakPolarHBondContact CA-OG1 3.28Å; A164-T199 HydrophobicContact CB-CG2 3.9Å; K165-T199 PolarHBondContact N-OG1 3.22Å; K165-T199 PolarHBondContact O-N 3.22Å; T199-N246 PolarHBondContact N-ND2 2.77Å; T199-N246 WeakPolarHBondContact O-CB 3.49Å; T199-N246 PolarHBondContact O-ND2 2.79Å
200E85.2Confident86.2Confident121 Ų12151 Ų5157%0.56528%0.279SS*.SBendtrans-63.1151.2172.7-67-66174.100112G198 I202G198-E200 PolarHBondContact O-N 3.07Å; E200-I202 PolarHBondContact OE2-N 3.35Å
201P86.6Confident86Confident76 Ų7653.7 Ų53.749%0.49430%0.302SS..PPolyproline II helixcis-83.4123.72.631.7-33.7000113.2
202I86.6Confident85.6Confident19 Ų1953.3 Ų53.310%0.09730%0.299CS..PPolyproline II helixtrans-83.5136.9171.6-55.9174.9000109.1A196 E200 Y204 V244A196-I202 WeakPolarHBondContact O-CD1 3.36Å; E200-I202 PolarHBondContact OE2-N 3.35Å; I202-Y204 HydrophobicContact CB-CE2 4.4Å; I202-Y204 HydrophobicContact CG2-CE1 4.29Å; I202-Y204 HydrophobicContact CG2-CE2 3.81Å; I202-V244 HydrophobicContact CG2-CG1 3.55Å
203K87.6Confident84.9Confident134 Ų13453.3 Ų53.358%0.58330%0.299SS*.EExtended strand (participates in β ladder)trans-122123.2-178.1-62.3173.7-175172.80110.5V244 S245K203-V244 CarbonylContact O-C 3.5Å; K203-V244 WeakPolarHBondContact O-CA 3.28Å; K203-S245 PolarHBondContact N-O 3.02Å; K203-S245 PolarHBondContact O-N 3.03Å; K203-S245 PolarHBondContact O-OG 3.34Å
204Y88Confident83.8Confident27 Ų2754.9 Ų54.911%0.10631%0.308CS..EExtended strand (participates in β ladder)trans-100.6141.9175.2-54.9-89.6000110.9C194 A196 I202 G224 P225 Q243 V244C194-Y204 WeakPolarHBondContact O-CE1 3.37Å; A196-Y204 HydrophobicContact CB-CE1 4.25Å; A196-Y204 PolarHBondContact N-OH 3.48Å; A196-Y204 PolarHBondContact O-OH 3.2Å; I202-Y204 HydrophobicContact CB-CE2 4.4Å; I202-Y204 HydrophobicContact CG2-CE1 4.29Å; I202-Y204 HydrophobicContact CG2-CE2 3.81Å; Y204-G224 WeakPolarHBondContact CB-O 3.28Å; Y204-P225 HydrophobicContact CD1-CB 4.08Å; Y204-P225 HydrophobicContact CD2-CB 4.42Å; Y204-P225 HydrophobicContact CE1-CB 3.75Å; Y204-P225 HydrophobicContact CE2-CB 4.12Å; Y204-P225 HydrophobicContact CG-CB 4.42Å; Y204-Q243 CarbonylContact C-O 3.48Å; Y204-Q243 WeakPolarHBondContact CA-O 3.25Å; Y204-V244 HydrophobicContact CD1-CG1 4.49Å; Y204-V244 HydrophobicContact CD1-CG2 3.78Å; Y204-V244 HydrophobicContact CE1-CG1 4.12Å; Y204-V244 HydrophobicContact CE1-CG2 3.79Å
205R87Confident82.7Confident129 Ų12961.5 Ų61.549%0.48733%0.333SS..EExtended strand (participates in β ladder)trans-138.1143168.6-66.7-165.8-74.7-165.1-4.8109.3F207 C242 Q243R205-F207 HydrophobicContact CB-CE2 3.91Å; R205-F207 HydrophobicContact CB-CZ 4.35Å; R205-C242 CarbonylContact O-C 3.43Å; R205-C242 WeakPolarHBondContact O-CA 3.27Å; R205-Q243 HydrophobicContact CB-CB 4.45Å; R205-Q243 VanDerWaalsContact CZ-OE1 3.3Å; R205-Q243 PolarHBondContact N-O 2.65Å; R205-Q243 PolarHBondContact O-N 3.43Å
206W88.9Confident81.4Confident1 Ų160 Ų600%0.00433%0.326CS..EExtended strand (participates in β ladder)trans-115.3139.6175.2-70.693000110.6F192 C194 V212 A213 G224 P225 L227 T241 C242 Y255F192-W206 HydrophobicContact CB-CH2 3.57Å; F192-W206 HydrophobicContact CB-CZ3 3.88Å; F192-W206 HydrophobicContact CG-CZ3 4.5Å; C194-W206 HydrophobicContact CB-CH2 4.12Å; C194-W206 HydrophobicContact CB-CZ2 4.12Å; W206-V212 VanDerWaalsContact O-CG1 3.32Å; W206-V212 WeakPolarHBondContact O-CG1 3.44Å; W206-A213 HydrophobicContact CB-CB 3.98Å; W206-A213 PolarHBondContact O-N 2.7Å; W206-G224 PolarHBondContact NE1-O 3.3Å; W206-P225 WeakPolarHBondContact CZ2-O 3.34Å; W206-L227 HydrophobicContact CB-CD2 4.21Å; W206-L227 HydrophobicContact CD2-CB 3.79Å; W206-L227 HydrophobicContact CD2-CD2 3.69Å; W206-L227 HydrophobicContact CD2-CG 4.21Å; W206-L227 HydrophobicContact CE3-CB 4.09Å; W206-L227 HydrophobicContact CE3-CD2 3.51Å; W206-L227 HydrophobicContact CE3-CG 4.39Å; W206-L227 HydrophobicContact CG-CB 4.32Å; W206-L227 HydrophobicContact CG-CD1 4.26Å; W206-L227 HydrophobicContact CG-CD2 4.01Å; W206-L227 HydrophobicContact CG-CG 4.44Å; W206-L227 HydrophobicContact CH2-CB 4.01Å; W206-L227 HydrophobicContact CZ2-CB 3.72Å; W206-L227 HydrophobicContact CZ3-CB 4.18Å; W206-L227 HydrophobicContact CZ3-CD2 4.06Å; W206-T241 CarbonylContact C-O 3.58Å; W206-T241 WeakPolarHBondContact CA-O 3.25Å; W206-C242 HydrophobicContact CD2-CB 3.96Å; W206-C242 VanDerWaalsContact CE2-SG 3.59Å; W206-C242 HydrophobicContact CE3-CB 3.73Å; W206-C242 HydrophobicContact CH2-CB 3.68Å; W206-C242 HydrophobicContact CZ2-CB 3.87Å; W206-C242 HydrophobicContact CZ3-CB 3.61Å; W206-Y255 HydrophobicContact CH2-CD2 4.41Å; W206-Y255 AromaticContact CH2-CE2 3.89Å; W206-Y255 HydrophobicContact CH2-CE2 3.89Å; W206-Y255 HydrophobicContact CZ3-CD2 4.01Å; W206-Y255 AromaticContact CZ3-CE2 3.93Å; W206-Y255 HydrophobicContact CZ3-CE2 3.93Å
207F87.6Confident79.8Confident43 Ų4364.7 Ų64.719%0.18935%0.354CS..EExtended strand (participates in β ladder)trans-126.1141.8178.2-60.3-94.3000109.9R205 A211 V212 Y240 T241 Q243R205-F207 HydrophobicContact CB-CE2 3.91Å; R205-F207 HydrophobicContact CB-CZ 4.35Å; F207-A211 CarbonylContact C-O 3.59Å; F207-A211 WeakPolarHBondContact CA-O 3.26Å; F207-A211 WeakPolarHBondContact CB-O 3.26Å; F207-V212 HydrophobicContact CD1-CG2 4.17Å; F207-V212 HydrophobicContact CE1-CG2 3.93Å; F207-Y240 CarbonylContact O-C 3.55Å; F207-Y240 VanDerWaalsContact O-CA 3.27Å; F207-Y240 WeakPolarHBondContact O-CA 3.25Å; F207-T241 PolarHBondContact N-O 2.82Å; F207-T241 PolarHBondContact O-N 2.85Å; F207-Q243 HydrophobicContact CE2-CB 3.97Å
208M86.5Confident78.3Confident39 Ų3962.2 Ų62.219%0.19234%0.343CS..EExtended strand (participates in β ladder)trans-111.3109167.1-170.1-176.6-176.700108.2S210 A211 W215 Q239 Y240M208-S210 PolarHBondContact O-N 3.27Å; M208-A211 PolarHBondContact N-O 2.96Å; M208-A211 PolarHBondContact O-N 3.17Å; M208-A211 VanDerWaalsContact O-N 3.11Å; M208-W215 HydrophobicContact SD-CZ2 3.8Å; M208-Q239 CarbonylContact C-O 3.48Å; M208-Q239 WeakPolarHBondContact CA-O 2.94Å; M208-Y240 HydrophobicContact CB-CD1 4.06Å; M208-Y240 HydrophobicContact CB-CE1 3.83Å; M208-Y240 HydrophobicContact CE-CE1 4.41Å; M208-Y240 HydrophobicContact CE-CE2 4.32Å; M208-Y240 WeakPolarHBondContact CE-OH 3.47Å; M208-Y240 HydrophobicContact CG-CD1 4.08Å; M208-Y240 HydrophobicContact CG-CE1 3.62Å; M208-Y240 HydrophobicContact SD-CE1 3.76Å; M208-Y240 PolarHBondContact SD-OH 2.9Å
209G83.4Confident76.7Confident49 Ų4965.5 Ų65.551%0.50538%0.378SS..THydrogen-bonded Turntrans58.9-116.9-164.500000110.8Q239G209-Q239 PolarHBondContact N-O 2.83Å
210S79.9Confident74.9Confident125 Ų12569.8 Ų69.887%0.87439%0.394SS*.THydrogen-bonded Turntrans-97-11.5175.754.40000114.5M208M208-S210 PolarHBondContact O-N 3.27Å
211A81.6Confident73.3Confident59 Ų5965.7 Ų65.749%0.48838%0.384SS..EExtended strand (participates in β ladder)trans-87.2148.6-179.200000111.2F207 M208F207-A211 CarbonylContact C-O 3.59Å; F207-A211 WeakPolarHBondContact CA-O 3.26Å; F207-A211 WeakPolarHBondContact CB-O 3.26Å; M208-A211 PolarHBondContact N-O 2.96Å; M208-A211 PolarHBondContact O-N 3.17Å; M208-A211 VanDerWaalsContact O-N 3.11Å
212V79.1Confident71.9Confident69 Ų6963.6 Ų63.642%0.41837%0.37SS..EExtended strand (participates in β ladder)trans-72.7134.8171.4-162.70000108.9W206 F207 D214W206-V212 VanDerWaalsContact O-CG1 3.32Å; W206-V212 WeakPolarHBondContact O-CG1 3.44Å; F207-V212 HydrophobicContact CD1-CG2 4.17Å; F207-V212 HydrophobicContact CE1-CG2 3.93Å; V212-D214 WeakPolarHBondContact CG1-OD1 3.2Å; V212-D214 PolarHBondContact O-N 3.19Å
213A72.3Confident70.9Confident1 Ų171.4 Ų71.41%0.00840%0.398CS..  trans-79.637-177.800000113.1W206 W215 I216W206-A213 HydrophobicContact CB-CB 3.98Å; W206-A213 PolarHBondContact O-N 2.7Å; A213-W215 PolarHBondContact O-N 3.23Å; A213-I216 HydrophobicContact CB-CD1 4.23Å; A213-I216 PolarHBondContact O-N 2.93Å
214D65Low70.3Confident91 Ų9165.2 Ų65.249%0.48737%0.372SS..THydrogen-bonded Turntrans-61.3-14.8-175.6-84.712.4000113.7V212 V222V212-D214 WeakPolarHBondContact CG1-OD1 3.2Å; V212-D214 PolarHBondContact O-N 3.19Å; D214-V222 HydrophobicContact CB-CG1 4.37Å; D214-V222 WeakPolarHBondContact O-CG2 3.44Å; D214-V222 WeakPolarHBondContact OD1-CG1 3.38Å
215W63.3Low70.1Confident139 Ų13964.7 Ų64.753%0.52737%0.372SS..THydrogen-bonded Turntrans-84.3-9.1176.764.5-89.9000114.1M208 A213 H236M208-W215 HydrophobicContact SD-CZ2 3.8Å; A213-W215 PolarHBondContact O-N 3.23Å; W215-H236 AromaticContact CH2-CD2 3.39Å; W215-H236 WeakPolarHBondContact CH2-CD2 3.48Å; W215-H236 AromaticContact CH2-NE2 3.51Å; W215-H236 AromaticContact CZ3-CD2 3.95Å; W215-H236 AromaticContact CZ3-NE2 3.54Å
216I58.3Low70Confident6 Ų661.3 Ų61.33%0.03136%0.363CS..SBendtrans-100.5110.1-179.7-53.4179.7000109.9A213 T218 L227 T228 I229 Y240A213-I216 HydrophobicContact CB-CD1 4.23Å; A213-I216 PolarHBondContact O-N 2.93Å; I216-T218 PolarHBondContact O-N 2.96Å; I216-L227 HydrophobicContact CB-CD1 3.77Å; I216-L227 HydrophobicContact CD1-CD2 4.38Å; I216-L227 HydrophobicContact CG2-CD1 3.43Å; I216-L227 VanDerWaalsContact CG2-CD1 3.43Å; I216-L227 HydrophobicContact CG2-CG 4.04Å; I216-T228 WeakPolarHBondContact CG2-O 3.07Å; I216-I229 HydrophobicContact CD1-CD1 4.03Å; I216-I229 HydrophobicContact CD1-CG1 4.23Å; I216-I229 HydrophobicContact CG2-CG1 3.87Å; I216-Y240 HydrophobicContact CD1-CD1 4.42Å; I216-Y240 HydrophobicContact CD1-CE1 3.56Å
217T54.1Low69.8Low104 Ų10461.3 Ų61.364%0.63836%0.363SS*.  trans-71.5110.9173.940.80000111.7
218T52.5Low69.6Low10 Ų1060.7 Ų60.76%0.06136%0.363CS..  trans-74.1157.5156.8104.90000109.8I216 Q220 G221 I226 L227I216-T218 PolarHBondContact O-N 2.96Å; T218-Q220 PolarHBondContact O-N 3.2Å; T218-Q220 VanDerWaalsContact O-N 3.08Å; T218-Q220 PolarHBondContact OG1-N 3.29Å; T218-G221 WeakPolarHBondContact CB-O 3.1Å; T218-G221 WeakPolarHBondContact CG2-O 3.48Å; T218-G221 PolarHBondContact O-N 2.84Å; T218-G221 PolarHBondContact OG1-N 3.15Å; T218-G221 VanDerWaalsContact OG1-N 3.16Å; T218-G221 PolarHBondContact OG1-O 2.79Å; T218-I226 WeakPolarHBondContact CB-O 3.47Å; T218-I226 WeakPolarHBondContact CG2-O 3.15Å; T218-L227 HydrophobicContact CG2-CD1 3.89Å
219G50.6Low69.5Low85 Ų8559.3 Ų59.388%0.87636%0.357SS*.THydrogen-bonded Turntrans-62.7-10.3172.600000115
220Q49Very low69.5Low139 Ų13962.8 Ų62.865%0.6536%0.363SS*.THydrogen-bonded Turntrans-114.815.3173.2-63.8178.6-11.500111.8T218T218-Q220 PolarHBondContact O-N 3.2Å; T218-Q220 VanDerWaalsContact O-N 3.08Å; T218-Q220 PolarHBondContact OG1-N 3.29Å
221G52.4Low69.5Low34 Ų3466.6 Ų66.635%0.35136%0.359SS..  trans75.9164.1-169.900000113.3T218 R223 G224T218-G221 WeakPolarHBondContact CB-O 3.1Å; T218-G221 WeakPolarHBondContact CG2-O 3.48Å; T218-G221 PolarHBondContact O-N 2.84Å; T218-G221 PolarHBondContact OG1-N 3.15Å; T218-G221 VanDerWaalsContact OG1-N 3.16Å; T218-G221 PolarHBondContact OG1-O 2.79Å; G221-R223 PolarHBondContact O-N 3.4Å; G221-G224 PolarHBondContact O-N 2.86Å; G221-G224 VanDerWaalsContact O-N 3.07Å
222V55.6Low69.6Low33 Ų3363.8 Ų63.820%0.234%0.336CS..THydrogen-bonded Turntrans-43-24.1-174.2169.30000116.4D214D214-V222 HydrophobicContact CB-CG1 4.37Å; D214-V222 WeakPolarHBondContact O-CG2 3.44Å; D214-V222 WeakPolarHBondContact OD1-CG1 3.38Å
223R65.8Low69.5Low182 Ų18261 Ų6169%0.68732%0.32SS*.THydrogen-bonded Turntrans-107.122.7-172.4-57.9176.8-172.4130.49.1113.2G221G221-R223 PolarHBondContact O-N 3.4Å
224G76.5Confident69.7Low4 Ų468.7 Ų68.74%0.04135%0.349CS..SBendtrans-86.8165.3174.300000114.1Y204 W206 G221 I226Y204-G224 WeakPolarHBondContact CB-O 3.28Å; W206-G224 PolarHBondContact NE1-O 3.3Å; G221-G224 PolarHBondContact O-N 2.86Å; G221-G224 VanDerWaalsContact O-N 3.07Å; G224-I226 VanDerWaalsContact C-N 3.26Å; G224-I226 PolarHBondContact O-N 2.88Å
225P83.5Confident70.4Confident16 Ų1670.9 Ų70.910%0.10436%0.357CS..SBendtrans-69.8-20.1176.128.5-35.3000114.1C194 E195 Y204 W206C194-P225 PolarHBondContact N-O 3.27Å; E195-P225 HydrophobicContact CB-CB 3.73Å; E195-P225 HydrophobicContact CB-CG 4.44Å; E195-P225 HydrophobicContact CG-CB 3.85Å; E195-P225 HydrophobicContact CG-CG 4.18Å; Y204-P225 HydrophobicContact CD1-CB 4.08Å; Y204-P225 HydrophobicContact CD2-CB 4.42Å; Y204-P225 HydrophobicContact CE1-CB 3.75Å; Y204-P225 HydrophobicContact CE2-CB 4.12Å; Y204-P225 HydrophobicContact CG-CB 4.42Å; W206-P225 WeakPolarHBondContact CZ2-O 3.34Å
226I84.2Confident71.4Confident59 Ų5965.3 Ų65.330%0.30334%0.336SS..EExtended strand (participates in β ladder)trans-108.5146.3-179.1-65.6169.6000108.4T191 F192 N193 T218 G224T191-I226 HydrophobicContact CG2-CG2 3.48Å; T191-I226 VanDerWaalsContact CG2-CG2 3.48Å; F192-I226 CarbonylContact O-C 3.58Å; F192-I226 WeakPolarHBondContact O-CA 3.39Å; N193-I226 HydrophobicContact CB-CG1 4.34Å; T218-I226 WeakPolarHBondContact CB-O 3.47Å; T218-I226 WeakPolarHBondContact CG2-O 3.15Å; G224-I226 VanDerWaalsContact C-N 3.26Å; G224-I226 PolarHBondContact O-N 2.88Å
227L84.1Confident72.7Confident1 Ų168 Ų681%0.00535%0.353CS..EExtended strand (participates in β ladder)trans-130.6121.2173.2-178.170.4000109.5T191 F192 W206 I216 T218 Y240T191-L227 CarbonylContact C-O 3.56Å; T191-L227 WeakPolarHBondContact CA-O 3.15Å; F192-L227 HydrophobicContact CB-CB 4.35Å; F192-L227 HydrophobicContact CD2-CB 4.17Å; F192-L227 HydrophobicContact CD2-CD2 3.94Å; F192-L227 HydrophobicContact CD2-CG 4.19Å; F192-L227 HydrophobicContact CE2-CD2 4.43Å; F192-L227 PolarHBondContact N-O 3.08Å; F192-L227 PolarHBondContact O-N 2.97Å; W206-L227 HydrophobicContact CB-CD2 4.21Å; W206-L227 HydrophobicContact CD2-CB 3.79Å; W206-L227 HydrophobicContact CD2-CD2 3.69Å; W206-L227 HydrophobicContact CD2-CG 4.21Å; W206-L227 HydrophobicContact CE3-CB 4.09Å; W206-L227 HydrophobicContact CE3-CD2 3.51Å; W206-L227 HydrophobicContact CE3-CG 4.39Å; W206-L227 HydrophobicContact CG-CB 4.32Å; W206-L227 HydrophobicContact CG-CD1 4.26Å; W206-L227 HydrophobicContact CG-CD2 4.01Å; W206-L227 HydrophobicContact CG-CG 4.44Å; W206-L227 HydrophobicContact CH2-CB 4.01Å; W206-L227 HydrophobicContact CZ2-CB 3.72Å; W206-L227 HydrophobicContact CZ3-CB 4.18Å; W206-L227 HydrophobicContact CZ3-CD2 4.06Å; I216-L227 HydrophobicContact CB-CD1 3.77Å; I216-L227 HydrophobicContact CD1-CD2 4.38Å; I216-L227 HydrophobicContact CG2-CD1 3.43Å; I216-L227 VanDerWaalsContact CG2-CD1 3.43Å; I216-L227 HydrophobicContact CG2-CG 4.04Å; T218-L227 HydrophobicContact CG2-CD1 3.89Å; L227-Y240 HydrophobicContact CD2-CD1 4.13Å
228T85Confident74.3Confident30 Ų3064.2 Ų64.218%0.18433%0.334CS..EExtended strand (participates in β ladder)trans-117.2140.8-176.4-50.40000110.8V190 I216 D230V190-T228 WeakPolarHBondContact O-CA 3.49Å; I216-T228 WeakPolarHBondContact CG2-O 3.07Å; T228-D230 WeakPolarHBondContact CG2-OD1 3.39Å
229I84.2Confident76.2Confident10 Ų1069 Ų695%0.05136%0.356CS..EExtended strand (participates in β ladder)trans-127.6106.2170.6-57172.4000106.7S189 V190 F192 I216 V232 H236 Y240 L257S189-I229 CarbonylContact C-O 3.49Å; S189-I229 VanDerWaalsContact CA-O 3.23Å; S189-I229 WeakPolarHBondContact CA-O 3.47Å; V190-I229 HydrophobicContact CG1-CB 3.98Å; V190-I229 HydrophobicContact CG1-CD1 4.17Å; V190-I229 HydrophobicContact CG1-CG1 4.39Å; V190-I229 PolarHBondContact N-O 2.84Å; V190-I229 PolarHBondContact O-N 3.42Å; F192-I229 HydrophobicContact CE2-CD1 4.22Å; I216-I229 HydrophobicContact CD1-CD1 4.03Å; I216-I229 HydrophobicContact CD1-CG1 4.23Å; I216-I229 HydrophobicContact CG2-CG1 3.87Å; I229-V232 HydrophobicContact CB-CG2 4.28Å; I229-V232 HydrophobicContact CG2-CG2 3.85Å; I229-H236 VanDerWaalsContact CG2-ND1 3.35Å; I229-H236 WeakPolarHBondContact CG2-ND1 3.36Å; I229-Y240 HydrophobicContact CD1-CE2 4.49Å; I229-L257 HydrophobicContact CD1-CD2 4.46Å
230D82.2Confident78Confident121 Ų12165 Ų6565%0.64731%0.314SS*.SBendtrans-73-30.1-173.1-60.5-47.7000113.6S189 T228S189-D230 WeakPolarHBondContact CB-O 3.3Å; T228-D230 WeakPolarHBondContact CG2-OD1 3.39Å
231R80.5Confident80Confident205 Ų20559.6 Ų59.677%0.77429%0.291SS*.SBendtrans-132.198.2178.7-171.7178.8-179.7167.80.2109.7H236R231-H236 PolarHBondContact O-CE1 3.32Å
232V82.7Confident81.7Confident1 Ų158 Ų581%0.00627%0.274CS..  trans-76.2123.3-179177.40000110.4I186 G187 S188 V190 I229 H236 L257 V259I186-V232 CarbonylContact C-O 3.58Å; I186-V232 WeakPolarHBondContact CA-O 3.46Å; G187-V232 PolarHBondContact N-O 2.79Å; S188-V232 VanDerWaalsContact O-CB 3.28Å; S188-V232 WeakPolarHBondContact O-CB 3.46Å; S188-V232 VanDerWaalsContact O-CG2 3.22Å; S188-V232 WeakPolarHBondContact O-CG2 3.37Å; S188-V232 PolarHBondContact O-N 2.81Å; V190-V232 HydrophobicContact CB-CG2 4.2Å; V190-V232 HydrophobicContact CG1-CG2 3.62Å; I229-V232 HydrophobicContact CB-CG2 4.28Å; I229-V232 HydrophobicContact CG2-CG2 3.85Å; V232-H236 HydrophobicContact CG1-CB 4.32Å; V232-L257 HydrophobicContact CG1-CD2 4.24Å; V232-V259 HydrophobicContact CG1-CB 4.11Å; V232-V259 HydrophobicContact CG1-CG1 3.63Å; V232-V259 HydrophobicContact CG1-CG2 3.32Å
233G77.2Confident83.3Confident9 Ų957.9 Ų57.99%0.09327%0.272CS..  trans-111176.4170.700000112.4E235 H236 V259G233-E235 VanDerWaalsContact C-N 3.26Å; G233-E235 WeakPolarHBondContact CA-OE1 2.93Å; G233-E235 PolarHBondContact O-N 2.83Å; G233-H236 PolarHBondContact N-ND1 3Å; G233-H236 WeakPolarHBondContact O-CB 2.96Å; G233-H236 PolarHBondContact O-N 2.83Å; G233-V259 WeakPolarHBondContact O-CG2 3.36Å
234R77.1Confident84.4Confident164 Ų16449.2 Ų49.262%0.61924%0.239SC*.G310 helixtrans-63.3-37.1-175.8-68.8174.460.2151.7-8.5111.5I186 H236 T237 E261I186-R234 HydrophobicContact CD1-CG 3.44Å; I186-R234 VanDerWaalsContact CD1-CG 3.44Å; I186-R234 HydrophobicContact CG1-CG 4.15Å; R234-H236 PolarHBondContact O-N 2.78Å; R234-T237 VanDerWaalsContact O-CB 3.26Å; R234-T237 WeakPolarHBondContact O-CB 3.39Å; R234-T237 PolarHBondContact O-N 2.88Å; R234-T237 PolarHBondContact O-OG1 3.22Å; R234-E261 IonicContact CZ-OE2 2.65Å; R234-E261 IonicContact NH1-OE2 2.83Å; R234-E261 PolarHBondContact NH1-OE2 2.86Å
235E79.9Confident85.1Confident137 Ų13750.3 Ų50.364%0.6425%0.246SC*.G310 helixtrans-60.4-15.4174.266.3-72.5172.700114.3G233G233-E235 VanDerWaalsContact C-N 3.26Å; G233-E235 WeakPolarHBondContact CA-OE1 2.93Å; G233-E235 PolarHBondContact O-N 2.83Å
236H84.4Confident85.3Confident21 Ų2150.6 Ų50.610%0.09725%0.247CC..G310 helixtrans-87.9-1.8173.6-55.4168000112.9W215 I229 R231 V232 G233 R234 G238 Y240 L257W215-H236 AromaticContact CH2-CD2 3.39Å; W215-H236 WeakPolarHBondContact CH2-CD2 3.48Å; W215-H236 AromaticContact CH2-NE2 3.51Å; W215-H236 AromaticContact CZ3-CD2 3.95Å; W215-H236 AromaticContact CZ3-NE2 3.54Å; I229-H236 VanDerWaalsContact CG2-ND1 3.35Å; I229-H236 WeakPolarHBondContact CG2-ND1 3.36Å; R231-H236 PolarHBondContact O-CE1 3.32Å; V232-H236 HydrophobicContact CG1-CB 4.32Å; G233-H236 PolarHBondContact N-ND1 3Å; G233-H236 WeakPolarHBondContact O-CB 2.96Å; G233-H236 PolarHBondContact O-N 2.83Å; R234-H236 PolarHBondContact O-N 2.78Å; H236-G238 PolarHBondContact O-N 2.66Å; H236-Y240 WeakPolarHBondContact O-CE2 3.35Å; H236-Y240 PolarHBondContact O-OH 2.81Å; H236-L257 HydrophobicContact CB-CD2 4.28Å
237T85.9Confident85.5Confident64 Ų6453.8 Ų53.839%0.39326%0.264SS..  trans-65.3122.2174.5-56.50000110.2R234 L258 V259R234-T237 VanDerWaalsContact O-CB 3.26Å; R234-T237 WeakPolarHBondContact O-CB 3.39Å; R234-T237 PolarHBondContact O-N 2.88Å; R234-T237 PolarHBondContact O-OG1 3.22Å; T237-L258 HydrophobicContact CG2-CD1 4.2Å; T237-V259 WeakPolarHBondContact OG1-CB 3.44Å; T237-V259 WeakPolarHBondContact OG1-CG2 3.1Å
238G87.9Confident85.7Confident23 Ų2354 Ų5424%0.23727%0.265CS..EExtended strand (participates in β ladder)trans172.5-168.8-175.600000115.6H236 R256 L257H236-G238 PolarHBondContact O-N 2.66Å; G238-R256 CarbonylContact O-C 3.55Å; G238-R256 WeakPolarHBondContact O-CA 3.25Å; G238-L257 PolarHBondContact N-O 2.86Å; G238-L257 PolarHBondContact O-N 3.35Å
239Q90.9Very high85.8Confident111 Ų11152.7 Ų52.752%0.51926%0.258SS..EExtended strand (participates in β ladder)trans-108.1123.5173.2-64.5-177.719.600109.4M208 G209 T254 Y255M208-Q239 CarbonylContact C-O 3.48Å; M208-Q239 WeakPolarHBondContact CA-O 2.94Å; G209-Q239 PolarHBondContact N-O 2.83Å; Q239-T254 HydrophobicContact CB-CG2 3.95Å; Q239-Y255 CarbonylContact C-O 3.58Å; Q239-Y255 VanDerWaalsContact CA-O 3.28Å; Q239-Y255 WeakPolarHBondContact CA-O 3.39Å
240Y89.5Confident86.1Confident0 Ų054.7 Ų54.70%027%0.273CS..EExtended strand (participates in β ladder)trans-110.6104.7-178.7-72.7-78.4000110.2F192 F207 M208 I216 L227 I229 H236 T254 Y255 L257F192-Y240 HydrophobicContact CE2-CD2 4.04Å; F192-Y240 HydrophobicContact CE2-CE2 4.41Å; F192-Y240 HydrophobicContact CE2-CG 4.2Å; F192-Y240 AromaticContact CZ-CD2 3.82Å; F192-Y240 HydrophobicContact CZ-CD2 3.82Å; F192-Y240 HydrophobicContact CZ-CE2 4.29Å; F192-Y240 HydrophobicContact CZ-CG 4.33Å; F207-Y240 CarbonylContact O-C 3.55Å; F207-Y240 VanDerWaalsContact O-CA 3.27Å; F207-Y240 WeakPolarHBondContact O-CA 3.25Å; M208-Y240 HydrophobicContact CB-CD1 4.06Å; M208-Y240 HydrophobicContact CB-CE1 3.83Å; M208-Y240 HydrophobicContact CE-CE1 4.41Å; M208-Y240 HydrophobicContact CE-CE2 4.32Å; M208-Y240 WeakPolarHBondContact CE-OH 3.47Å; M208-Y240 HydrophobicContact CG-CD1 4.08Å; M208-Y240 HydrophobicContact CG-CE1 3.62Å; M208-Y240 HydrophobicContact SD-CE1 3.76Å; M208-Y240 PolarHBondContact SD-OH 2.9Å; I216-Y240 HydrophobicContact CD1-CD1 4.42Å; I216-Y240 HydrophobicContact CD1-CE1 3.56Å; L227-Y240 HydrophobicContact CD2-CD1 4.13Å; I229-Y240 HydrophobicContact CD1-CE2 4.49Å; H236-Y240 WeakPolarHBondContact O-CE2 3.35Å; H236-Y240 PolarHBondContact O-OH 2.81Å; Y240-T254 CarbonylContact O-C 3.52Å; Y240-T254 WeakPolarHBondContact O-CA 3.31Å; Y240-Y255 PolarHBondContact N-O 2.94Å; Y240-Y255 PolarHBondContact O-N 3.45Å; Y240-L257 HydrophobicContact CD2-CB 4.03Å; Y240-L257 HydrophobicContact CE2-CB 3.91Å; Y240-L257 HydrophobicContact CE2-CD2 3.96Å
241T90Very high86.4Confident26 Ų2649.9 Ų49.916%0.1625%0.247CC..EExtended strand (participates in β ladder)trans-97.9117.1-179.7-580000110.5W206 F207 N252 Y253 T254W206-T241 CarbonylContact C-O 3.58Å; W206-T241 WeakPolarHBondContact CA-O 3.25Å; F207-T241 PolarHBondContact N-O 2.82Å; F207-T241 PolarHBondContact O-N 2.85Å; T241-N252 HydrophobicContact CG2-CB 4.16Å; T241-Y253 CarbonylContact C-O 3.57Å; T241-Y253 VanDerWaalsContact CA-O 3.25Å; T241-Y253 WeakPolarHBondContact CA-O 3.37Å; T241-T254 WeakPolarHBondContact OG1-CG2 3.37Å; T241-T254 PolarHBondContact OG1-OG1 3.5Å
242C89Confident86.8Confident0 Ų044.5 Ų44.50%023%0.233CC..EExtended strand (participates in β ladder)trans-79.9143.4161.8-163.70000109.5C194 R205 W206 N252 Y253C194-C242 HydrophobicContact CB-CB 3.51Å; C194-C242 WeakPolarHBondContact CB-SG 3.26Å; C194-C242 VanDerWaalsContact SG-CB 3.52Å; R205-C242 CarbonylContact O-C 3.43Å; R205-C242 WeakPolarHBondContact O-CA 3.27Å; W206-C242 HydrophobicContact CD2-CB 3.96Å; W206-C242 VanDerWaalsContact CE2-SG 3.59Å; W206-C242 HydrophobicContact CE3-CB 3.73Å; W206-C242 HydrophobicContact CH2-CB 3.68Å; W206-C242 HydrophobicContact CZ2-CB 3.87Å; W206-C242 HydrophobicContact CZ3-CB 3.61Å; C242-N252 CarbonylContact O-C 3.53Å; C242-N252 VanDerWaalsContact O-CA 3.25Å; C242-N252 WeakPolarHBondContact O-CA 3.32Å; C242-Y253 PolarHBondContact N-O 3.34Å; C242-Y253 PolarHBondContact O-N 2.77Å
243Q89.3Confident87.1Confident32 Ų3244.5 Ų44.515%0.1523%0.233CC..EExtended strand (participates in β ladder)trans-124.2126.6167.2172.7168.692.100109.5Y204 R205 F207 L251 N252Y204-Q243 CarbonylContact C-O 3.48Å; Y204-Q243 WeakPolarHBondContact CA-O 3.25Å; R205-Q243 HydrophobicContact CB-CB 4.45Å; R205-Q243 VanDerWaalsContact CZ-OE1 3.3Å; R205-Q243 PolarHBondContact N-O 2.65Å; R205-Q243 PolarHBondContact O-N 3.43Å; F207-Q243 HydrophobicContact CE2-CB 3.97Å; Q243-L251 CarbonylContact C-O 3.57Å; Q243-L251 WeakPolarHBondContact CA-O 3.19Å; Q243-N252 WeakPolarHBondContact CB-OD1 3.1Å; Q243-N252 VanDerWaalsContact CG-OD1 3.25Å; Q243-N252 WeakPolarHBondContact CG-OD1 3.47Å; Q243-N252 PolarHBondContact NE2-OD1 3.04Å
244V89.5Confident87.7Confident0 Ų045.5 Ų45.50%024%0.237CC..EExtended strand (participates in β ladder)trans-108.4139.4174-174.60000108.5P167 F169 A196 I202 K203 Y204 S250 L251P167-V244 HydrophobicContact CB-CG1 3.76Å; P167-V244 HydrophobicContact CG-CG1 4.44Å; F169-V244 HydrophobicContact CD1-CG2 4.35Å; F169-V244 HydrophobicContact CE1-CG2 3.5Å; F169-V244 HydrophobicContact CZ-CG2 4.1Å; A196-V244 HydrophobicContact CB-CB 4.4Å; A196-V244 HydrophobicContact CB-CG1 3.58Å; A196-V244 HydrophobicContact CB-CG2 4.13Å; I202-V244 HydrophobicContact CG2-CG1 3.55Å; K203-V244 CarbonylContact O-C 3.5Å; K203-V244 WeakPolarHBondContact O-CA 3.28Å; Y204-V244 HydrophobicContact CD1-CG1 4.49Å; Y204-V244 HydrophobicContact CD1-CG2 3.78Å; Y204-V244 HydrophobicContact CE1-CG1 4.12Å; Y204-V244 HydrophobicContact CE1-CG2 3.79Å; V244-S250 CarbonylContact O-C 3.55Å; V244-S250 WeakPolarHBondContact O-CA 3.36Å; V244-S250 WeakPolarHBondContact O-CB 3.12Å; V244-S250 PolarHBondContact O-OG 2.91Å; V244-L251 PolarHBondContact N-O 2.83Å; V244-L251 PolarHBondContact O-N 2.68Å
245S89.4Confident88.3Confident26 Ų2638.2 Ų38.218%0.18221%0.21CC..EExtended strand (participates in β ladder)trans-148.9148174.854.90000112.5K203 G249K203-S245 PolarHBondContact N-O 3.02Å; K203-S245 PolarHBondContact O-N 3.03Å; K203-S245 PolarHBondContact O-OG 3.34Å; S245-G249 WeakPolarHBondContact CA-O 3.34Å
246N89.1Confident88.9Confident23 Ų2339.4 Ų39.412%0.12321%0.209CC..  trans-137.7-163.4164.379.3-2.5000110.2K165 P167 T199 V248 G249K165-N246 PolarHBondContact O-ND2 3.25Å; P167-N246 WeakPolarHBondContact CD-OD1 3.32Å; T199-N246 PolarHBondContact N-ND2 2.77Å; T199-N246 WeakPolarHBondContact O-CB 3.49Å; T199-N246 PolarHBondContact O-ND2 2.79Å; N246-V248 PolarHBondContact O-N 3.4Å; N246-V248 WeakPolarHBondContact OD1-CB 3.28Å; N246-V248 PolarHBondContact OD1-N 2.89Å; N246-G249 PolarHBondContact N-O 3.01Å; N246-G249 PolarHBondContact OD1-N 3.36Å
247L88Confident89.1Confident126 Ų12638.5 Ų38.566%0.6620%0.204SC*.SBendtrans-65.7-18.7179.8-65.8171000114.7I159I159-L247 WeakPolarHBondContact CD1-O 3.22Å
248V87.5Confident89.3Confident4 Ų439.3 Ų39.32%0.02421%0.206CC..SBendtrans-102.3-36.1-171.8-175.90000112P157 N158 A164 A166 N246P157-V248 HydrophobicContact CB-CG1 3.66Å; N158-V248 WeakPolarHBondContact CB-O 3.48Å; N158-V248 PolarHBondContact N-O 2.66Å; A164-V248 HydrophobicContact CB-CG2 3.34Å; A166-V248 HydrophobicContact CB-CB 4.47Å; A166-V248 HydrophobicContact CB-CG1 3.97Å; N246-V248 PolarHBondContact O-N 3.4Å; N246-V248 WeakPolarHBondContact OD1-CB 3.28Å; N246-V248 PolarHBondContact OD1-N 2.89Å
249G88Confident89.1Confident4 Ų439 Ų394%0.04120%0.2CC..  trans-171.7-176.1-17600000113.9S245 N246S245-G249 WeakPolarHBondContact CA-O 3.34Å; N246-G249 PolarHBondContact N-O 3.01Å; N246-G249 PolarHBondContact OD1-N 3.36Å
250S89.9Confident88.2Confident52 Ų5235.6 Ų35.636%0.36419%0.188SC..EExtended strand (participates in β ladder)trans-141.9147.1178.5-172.80000111.7A155 V244A155-S250 WeakPolarHBondContact CB-O 3.22Å; V244-S250 CarbonylContact O-C 3.55Å; V244-S250 WeakPolarHBondContact O-CA 3.36Å; V244-S250 WeakPolarHBondContact O-CB 3.12Å; V244-S250 PolarHBondContact O-OG 2.91Å
251L88.7Confident87Confident19 Ų1941.1 Ų41.110%0.09921%0.214CC..EExtended strand (participates in β ladder)trans-124149.9172.8-78.2170.8000109.8L153 A155 P167 F169 Q243 V244L153-L251 HydrophobicContact CG-CD2 4.38Å; L153-L251 WeakPolarHBondContact O-CD1 3.35Å; A155-L251 HydrophobicContact CB-CD2 4.39Å; A155-L251 HydrophobicContact CB-CG 3.96Å; P167-L251 WeakPolarHBondContact O-CD1 3.19Å; F169-L251 HydrophobicContact CD2-CB 4.4Å; F169-L251 HydrophobicContact CD2-CD1 3.72Å; F169-L251 HydrophobicContact CE2-CB 3.65Å; F169-L251 HydrophobicContact CE2-CD1 3.83Å; F169-L251 HydrophobicContact CE2-CD2 4.43Å; F169-L251 HydrophobicContact CE2-CG 4.18Å; F169-L251 HydrophobicContact CG-CD1 4.22Å; F169-L251 HydrophobicContact CZ-CB 3.76Å; F169-L251 HydrophobicContact CZ-CD1 4.4Å; Q243-L251 CarbonylContact C-O 3.57Å; Q243-L251 WeakPolarHBondContact CA-O 3.19Å; V244-L251 PolarHBondContact N-O 2.83Å; V244-L251 PolarHBondContact O-N 2.68Å
252N89.3Confident85.7Confident92 Ų9243 Ų4349%0.49223%0.226SC..EExtended strand (participates in β ladder)trans-123.1150.8168.7-60.2-30.7000109.4T241 C242 Q243T241-N252 HydrophobicContact CG2-CB 4.16Å; C242-N252 CarbonylContact O-C 3.53Å; C242-N252 VanDerWaalsContact O-CA 3.25Å; C242-N252 WeakPolarHBondContact O-CA 3.32Å; Q243-N252 WeakPolarHBondContact CB-OD1 3.1Å; Q243-N252 VanDerWaalsContact CG-OD1 3.25Å; Q243-N252 WeakPolarHBondContact CG-OD1 3.47Å; Q243-N252 PolarHBondContact NE2-OD1 3.04Å
253Y88.7Confident84.1Confident2 Ų244.7 Ų44.71%0.00824%0.238CC..EExtended strand (participates in β ladder)trans-146.7136.2172.2-162-90000111.4F169 L174 N177 I180 T241 C242 Y255F169-Y253 HydrophobicContact CE2-CD2 4.27Å; F169-Y253 HydrophobicContact CE2-CG 4.49Å; L174-Y253 HydrophobicContact CB-CD2 3.99Å; L174-Y253 HydrophobicContact CB-CE2 3.76Å; L174-Y253 HydrophobicContact CD2-CD1 3.81Å; L174-Y253 HydrophobicContact CD2-CD2 4.46Å; L174-Y253 HydrophobicContact CD2-CE1 3.52Å; L174-Y253 HydrophobicContact CD2-CE2 4.22Å; L174-Y253 HydrophobicContact CD2-CG 4.28Å; L174-Y253 VanDerWaalsContact O-CE2 3.26Å; L174-Y253 WeakPolarHBondContact O-CE2 3.18Å; N177-Y253 WeakPolarHBondContact O-CE2 3.34Å; N177-Y253 VanDerWaalsContact O-CZ 3.31Å; N177-Y253 PolarHBondContact O-OH 2.84Å; I180-Y253 HydrophobicContact CD1-CE1 4.09Å; I180-Y253 VanDerWaalsContact CD1-OH 3.31Å; I180-Y253 WeakPolarHBondContact CD1-OH 3.4Å; I180-Y253 HydrophobicContact CG1-CE1 4.39Å; I180-Y253 VanDerWaalsContact CG1-OH 3.3Å; I180-Y253 WeakPolarHBondContact CG1-OH 3.46Å; T241-Y253 CarbonylContact C-O 3.57Å; T241-Y253 VanDerWaalsContact CA-O 3.25Å; T241-Y253 WeakPolarHBondContact CA-O 3.37Å; C242-Y253 PolarHBondContact N-O 3.34Å; C242-Y253 PolarHBondContact O-N 2.77Å; Y253-Y255 HydrophobicContact CD1-CD2 4.48Å; Y253-Y255 HydrophobicContact CD1-CE1 4.18Å; Y253-Y255 AromaticContact CD1-CE2 4Å; Y253-Y255 HydrophobicContact CD1-CE2 4Å; Y253-Y255 AromaticContact CD1-CZ 3.84Å; Y253-Y255 HydrophobicContact CE1-CD1 4.37Å; Y253-Y255 AromaticContact CE1-CE1 3.97Å; Y253-Y255 HydrophobicContact CE1-CE1 3.97Å
254T89.8Confident82.8Confident29 Ų2945.3 Ų45.318%0.17825%0.245CC..EExtended strand (participates in β ladder)trans-119.5114.2-170.4-57.90000113.4P178 S179 I180 Q239 Y240 T241P178-T254 PolarHBondContact O-N 3.26Å; S179-T254 WeakPolarHBondContact CA-O 3.3Å; S179-T254 WeakPolarHBondContact CB-O 3.45Å; I180-T254 PolarHBondContact N-O 3.08Å; Q239-T254 HydrophobicContact CB-CG2 3.95Å; Y240-T254 CarbonylContact O-C 3.52Å; Y240-T254 WeakPolarHBondContact O-CA 3.31Å; T241-T254 WeakPolarHBondContact OG1-CG2 3.37Å; T241-T254 PolarHBondContact OG1-OG1 3.5Å
255Y90.5Very high81.7Confident12 Ų1247.2 Ų47.25%0.04726%0.261CS..EExtended strand (participates in β ladder)trans-83.9148.9167.2-55.8-84.9000110.9L174 I180 L182 F192 N193 C194 W206 Q239 Y240 Y253L174-Y255 HydrophobicContact CD2-CE1 4.25Å; L174-Y255 VanDerWaalsContact CD2-OH 3.31Å; L174-Y255 WeakPolarHBondContact CD2-OH 3.39Å; I180-Y255 HydrophobicContact CB-CD1 4.23Å; I180-Y255 HydrophobicContact CD1-CE1 4.47Å; I180-Y255 CarbonylContact O-C 3.54Å; I180-Y255 WeakPolarHBondContact O-CA 3.17Å; L182-Y255 HydrophobicContact CD1-CD1 3.74Å; L182-Y255 HydrophobicContact CD1-CG 4.42Å; F192-Y255 HydrophobicContact CB-CD2 3.89Å; F192-Y255 HydrophobicContact CB-CE2 3.79Å; F192-Y255 HydrophobicContact CB-CG 4.44Å; F192-Y255 AromaticContact CD1-CD1 3.87Å; F192-Y255 HydrophobicContact CD1-CD1 3.87Å; F192-Y255 AromaticContact CD1-CD2 3.68Å; F192-Y255 HydrophobicContact CD1-CD2 3.68Å; F192-Y255 HydrophobicContact CD1-CE1 4.46Å; F192-Y255 HydrophobicContact CD1-CE2 4.3Å; F192-Y255 AromaticContact CD1-CG 3.42Å; F192-Y255 HydrophobicContact CD1-CG 3.42Å; F192-Y255 VanDerWaalsContact CD1-CG 3.42Å; F192-Y255 HydrophobicContact CE1-CD2 4.5Å; F192-Y255 AromaticContact CE1-CG 3.98Å; F192-Y255 HydrophobicContact CE1-CG 3.98Å; F192-Y255 HydrophobicContact CG-CD2 4Å; F192-Y255 HydrophobicContact CG-CE2 4.4Å; F192-Y255 HydrophobicContact CG-CG 4.22Å; N193-Y255 PolarHBondContact O-OH 2.87Å; C194-Y255 PolarHBondContact SG-OH 3.31Å; W206-Y255 HydrophobicContact CH2-CD2 4.41Å; W206-Y255 AromaticContact CH2-CE2 3.89Å; W206-Y255 HydrophobicContact CH2-CE2 3.89Å; W206-Y255 HydrophobicContact CZ3-CD2 4.01Å; W206-Y255 AromaticContact CZ3-CE2 3.93Å; W206-Y255 HydrophobicContact CZ3-CE2 3.93Å; Q239-Y255 CarbonylContact C-O 3.58Å; Q239-Y255 VanDerWaalsContact CA-O 3.28Å; Q239-Y255 WeakPolarHBondContact CA-O 3.39Å; Y240-Y255 PolarHBondContact N-O 2.94Å; Y240-Y255 PolarHBondContact O-N 3.45Å; Y253-Y255 HydrophobicContact CD1-CD2 4.48Å; Y253-Y255 HydrophobicContact CD1-CE1 4.18Å; Y253-Y255 AromaticContact CD1-CE2 4Å; Y253-Y255 HydrophobicContact CD1-CE2 4Å; Y253-Y255 AromaticContact CD1-CZ 3.84Å; Y253-Y255 HydrophobicContact CE1-CD1 4.37Å; Y253-Y255 AromaticContact CE1-CE1 3.97Å; Y253-Y255 HydrophobicContact CE1-CE1 3.97Å
256R90.8Very high81.1Confident161 Ų16147.7 Ų47.761%0.60826%0.263SS*.EExtended strand (participates in β ladder)trans-114.3105.7170.2179.9178.8178.3175.9-1.1108.7I180 S181 L182 G238I180-R256 PolarHBondContact O-N 2.98Å; S181-R256 CarbonylContact C-O 3.55Å; S181-R256 WeakPolarHBondContact CA-O 3.39Å; L182-R256 PolarHBondContact N-O 2.82Å; G238-R256 CarbonylContact O-C 3.55Å; G238-R256 WeakPolarHBondContact O-CA 3.25Å
257L90.6Very high81Confident2 Ų246.6 Ų46.61%0.0126%0.257CS..EExtended strand (participates in β ladder)trans-88.3121.7176.3-175.262000109.8L182 R184 V190 F192 I229 V232 H236 G238 Y240 V259L182-L257 HydrophobicContact CB-CD1 4.31Å; R184-L257 HydrophobicContact CB-CD1 4.09Å; R184-L257 HydrophobicContact CG-CD1 3.8Å; V190-L257 HydrophobicContact CG1-CD1 4.35Å; V190-L257 HydrophobicContact CG1-CD2 4.01Å; V190-L257 HydrophobicContact CG2-CD1 4.3Å; F192-L257 HydrophobicContact CZ-CB 4.19Å; F192-L257 HydrophobicContact CZ-CD1 4.47Å; F192-L257 HydrophobicContact CZ-CD2 4.2Å; I229-L257 HydrophobicContact CD1-CD2 4.46Å; V232-L257 HydrophobicContact CG1-CD2 4.24Å; H236-L257 HydrophobicContact CB-CD2 4.28Å; G238-L257 PolarHBondContact N-O 2.86Å; G238-L257 PolarHBondContact O-N 3.35Å; Y240-L257 HydrophobicContact CD2-CB 4.03Å; Y240-L257 HydrophobicContact CE2-CB 3.91Å; Y240-L257 HydrophobicContact CE2-CD2 3.96Å; L257-V259 HydrophobicContact CD2-CG2 4.16Å; L257-V259 HydrophobicContact CG-CG2 4.06Å
258L88.3Confident81Confident82 Ų8245.9 Ų45.943%0.42925%0.248SC..EExtended strand (participates in β ladder)trans-108.1124.4167.6-179.961.3000109.2L182 E183 R184 T237L182-L258 PolarHBondContact O-N 3.47Å; E183-L258 WeakPolarHBondContact CA-O 3.14Å; E183-L258 HydrophobicContact CG-CB 4.35Å; E183-L258 HydrophobicContact CG-CD2 4.32Å; R184-L258 PolarHBondContact N-O 2.95Å; T237-L258 HydrophobicContact CG2-CD1 4.2Å
259V83.9Confident81Confident16 Ų1646.8 Ų46.810%0.09725%0.253CS..EExtended strand (participates in β ladder)trans-103115.1-179.7-172.60000109.9R184 I186 V232 G233 T237 L257R184-V259 CarbonylContact O-C 3.59Å; R184-V259 WeakPolarHBondContact O-CA 3.45Å; I186-V259 HydrophobicContact CG1-CG1 3.62Å; V232-V259 HydrophobicContact CG1-CB 4.11Å; V232-V259 HydrophobicContact CG1-CG1 3.63Å; V232-V259 HydrophobicContact CG1-CG2 3.32Å; G233-V259 WeakPolarHBondContact O-CG2 3.36Å; T237-V259 WeakPolarHBondContact OG1-CB 3.44Å; T237-V259 WeakPolarHBondContact OG1-CG2 3.1Å; L257-V259 HydrophobicContact CD2-CG2 4.16Å; L257-V259 HydrophobicContact CG-CG2 4.06Å
260S72.9Confident81Confident39 Ų3950.3 Ų50.327%0.27327%0.271SS..EExtended strand (participates in β ladder)trans-95.7137.7175.855.40000111.2R184 L185 I186R184-S260 PolarHBondContact O-N 2.84Å; R184-S260 PolarHBondContact O-OG 3.25Å; L185-S260 CarbonylContact C-O 3.58Å; L185-S260 VanDerWaalsContact CA-O 3.25Å; L185-S260 WeakPolarHBondContact CA-O 3.46Å; I186-S260 PolarHBondContact N-O 2.79Å
261E64.1Low80.3Confident116 Ų11650.2 Ų50.254%0.54228%0.278SS..PPolyproline II helixtrans-81.6132.8170.3-168.8147.6-170.900108.1I186 R234I186-E261 HydrophobicContact CD1-CB 3.62Å; I186-E261 HydrophobicContact CD1-CG 3.68Å; I186-E261 HydrophobicContact CG1-CB 4.44Å; R234-E261 IonicContact CZ-OE2 2.65Å; R234-E261 IonicContact NH1-OE2 2.83Å; R234-E261 PolarHBondContact NH1-OE2 2.86Å
262P62.7Low79.5Confident65 Ų6553.9 Ų53.942%0.42230%0.303SS..PPolyproline II helixtrans-56.2132.7170.522.3-31.8000109.2L185 S264L185-P262 HydrophobicContact CD2-CB 3.94Å; P262-S264 PolarHBondContact O-N 3.41Å
263P55.3Low78.6Confident37 Ų3754.1 Ų54.124%0.2431%0.307CS..PPolyproline II helixtrans-61.6136.5-175.127-36000110.3A293 K411 E413P263-A293 HydrophobicContact CB-CB 3.87Å; P263-A293 HydrophobicContact CG-CB 4.1Å; P263-A293 VanDerWaalsContact O-CB 3.26Å; P263-A293 WeakPolarHBondContact O-CB 3.47Å; P263-K411 WeakPolarHBondContact CG-O 3.38Å; P263-E413 HydrophobicContact CB-CG 3.41Å; P263-E413 VanDerWaalsContact CB-CG 3.41Å
264S61.1Low77.9Confident44 Ų4458.6 Ų58.631%0.30833%0.328SS..PPolyproline II helixtrans-76.2133.1-165.2-170.40000112.3P262 T266 A293P262-S264 PolarHBondContact O-N 3.41Å; S264-T266 PolarHBondContact O-N 3.28Å; S264-T266 WeakPolarHBondContact OG-CB 3.47Å; S264-T266 PolarHBondContact OG-N 3.11Å; S264-A293 WeakPolarHBondContact O-CB 3.38Å; S264-A293 PolarHBondContact O-N 3.16Å
265A66.8Low77.8Confident40 Ų4062.3 Ų62.333%0.33135%0.347SS..SBendtrans-71.2-6.7169.500000113C292 S441A265-C292 PolarHBondContact O-SG 2.94Å; A265-S441 WeakPolarHBondContact O-CB 3.35Å; A265-S441 PolarHBondContact O-OG 3.47Å
266T77.6Confident77.7Confident37 Ų3764.3 Ų64.323%0.22736%0.355CS..SBendtrans-77.4120.2169.9-600000110.2S264 S447S264-T266 PolarHBondContact O-N 3.28Å; S264-T266 WeakPolarHBondContact OG-CB 3.47Å; S264-T266 PolarHBondContact OG-N 3.11Å; T266-S447 WeakPolarHBondContact OG1-CB 3.23Å; T266-S447 PolarHBondContact OG1-OG 2.81Å; T266-S447 VanDerWaalsContact OG1-OG 3.11Å
267P86Confident77.6Confident0 Ų061 Ų610%035%0.352CS..  trans-70.5135.2174.727.4-32.3000111.8I290 K291 C292 P297 T439P267-I290 HydrophobicContact CB-CG2 3.55Å; P267-K291 CarbonylContact C-O 3.51Å; P267-K291 WeakPolarHBondContact CA-O 3.44Å; P267-C292 HydrophobicContact CB-CB 3.99Å; P267-P297 HydrophobicContact CB-CB 3.98Å; P267-P297 HydrophobicContact CG-CB 4.22Å; P267-T439 HydrophobicContact CB-CG2 3.79Å; P267-T439 WeakPolarHBondContact CB-OG1 3.4Å; P267-T439 HydrophobicContact CG-CG2 3.87Å; P267-T439 WeakPolarHBondContact CG-OG1 3.47Å
268K87.8Confident77.6Confident110 Ų11061.9 Ų61.948%0.47836%0.356SS..EExtended strand (participates in β ladder)trans-119.8133.5178.6-63.2-179.9-179175.40111.3I290 K291K268-I290 CarbonylContact O-C 3.57Å; K268-I290 VanDerWaalsContact O-CA 3.28Å; K268-I290 WeakPolarHBondContact O-CA 3.01Å; K268-K291 PolarHBondContact N-O 2.88Å; K268-K291 PolarHBondContact O-N 3.31Å
269I89.1Confident77.4Confident24 Ų2462.5 Ų62.512%0.12336%0.356CS..EExtended strand (participates in β ladder)trans-83.4121.5-178.2-52.2175.8000109.3R289 I290 T439 E449 I451I269-R289 CarbonylContact C-O 3.59Å; I269-R289 WeakPolarHBondContact CA-O 3.11Å; I269-I290 HydrophobicContact CG1-CG1 4.28Å; I269-T439 HydrophobicContact CD1-CG2 4.13Å; I269-T439 HydrophobicContact CG1-CG2 3.71Å; I269-E449 WeakPolarHBondContact CB-OE1 3.45Å; I269-E449 HydrophobicContact CD1-CG 4.49Å; I269-E449 HydrophobicContact CG1-CG 4.5Å; I269-E449 WeakPolarHBondContact CG1-OE1 3.21Å; I269-E449 PolarHBondContact N-OE1 2.71Å; I269-I451 HydrophobicContact CD1-CB 4.1Å; I269-I451 HydrophobicContact CD1-CG2 3.93Å; I269-I451 HydrophobicContact CG2-CG2 4.05Å
270L86.8Confident77.3Confident78 Ų7863.4 Ų63.441%0.40836%0.361SS..EExtended strand (participates in β ladder)trans-95.8115.8-177-59.2-172.9000111.9R289 K291 L415L270-R289 HydrophobicContact CB-CB 4.04Å; L270-R289 PolarHBondContact N-O 3.45Å; L270-K291 HydrophobicContact CD1-CB 4.02Å; L270-K291 HydrophobicContact CD1-CG 4.33Å; L270-K291 HydrophobicContact CD2-CB 4.23Å; L270-K291 HydrophobicContact CG-CB 4.14Å; L270-L415 HydrophobicContact CD1-CD1 3.75Å
271G76.1Confident77.3Confident50 Ų5066.8 Ų66.852%0.51538%0.376SS..SBendtrans136.4160.6169.700000112.4
272P70.8Confident77.9Confident96 Ų9664.4 Ų64.462%0.62337%0.367SS*.  trans-71149.1174.430.2-33.6000111Q274P272-Q274 HydrophobicContact CG-CG 4.33Å; P272-Q274 PolarHBondContact O-N 2.89Å; P272-Q274 VanDerWaalsContact O-N 3.17Å
273V70.3Confident78.8Confident97 Ų9766 Ų6659%0.58838%0.38SS*.  trans-53.6118.2167-176.20000108.5I451 V452V273-I451 HydrophobicContact CB-CD1 4.49Å; V273-I451 HydrophobicContact CG2-CD1 3.9Å; V273-I451 HydrophobicContact CG2-CG1 3.92Å; V273-V452 WeakPolarHBondContact CG1-O 3.34Å
274Q75Confident80.4Confident96 Ų9664.4 Ų64.445%0.44937%0.37SS..  trans-128.5130.7-178.9-81.4172.492.700110.4P272 Y276P272-Q274 HydrophobicContact CG-CG 4.33Å; P272-Q274 PolarHBondContact O-N 2.89Å; P272-Q274 VanDerWaalsContact O-N 3.17Å; Q274-Y276 HydrophobicContact CB-CE2 4.12Å; Q274-Y276 WeakPolarHBondContact O-CD2 3.45Å
275N86.9Confident81.7Confident106 Ų10664.3 Ų64.357%0.56737%0.367SS*.  trans-91.1129.9172.2-63.5-18.2000108.6Y454N275-Y454 CarbonylContact C-O 3.48Å; N275-Y454 VanDerWaalsContact CA-O 3.29Å; N275-Y454 WeakPolarHBondContact CA-O 3.37Å; N275-Y454 WeakPolarHBondContact OD1-CD2 3.11Å; N275-Y454 PolarHBondContact OD1-N 2.93Å
276Y88.8Confident82.9Confident55 Ų5562.5 Ų62.522%0.21635%0.352CS..EExtended strand (participates in β ladder)trans-98.6136-177.1-71.1-105.5000110Q274 F278 V286 I453 Y454 V455 N456Q274-Y276 HydrophobicContact CB-CE2 4.12Å; Q274-Y276 WeakPolarHBondContact O-CD2 3.45Å; Y276-F278 HydrophobicContact CD1-CE1 4.08Å; Y276-F278 HydrophobicContact CD1-CE2 4.46Å; Y276-F278 AromaticContact CD1-CZ 3.63Å; Y276-F278 HydrophobicContact CD1-CZ 3.63Å; Y276-F278 HydrophobicContact CG-CE2 4.4Å; Y276-F278 AromaticContact CG-CZ 3.99Å; Y276-F278 HydrophobicContact CG-CZ 3.99Å; Y276-V286 HydrophobicContact CD1-CG2 4.01Å; Y276-V286 HydrophobicContact CD2-CG1 4.21Å; Y276-V286 HydrophobicContact CD2-CG2 3.95Å; Y276-V286 HydrophobicContact CE1-CG1 4.5Å; Y276-V286 HydrophobicContact CE1-CG2 4.25Å; Y276-V286 HydrophobicContact CE2-CG1 3.73Å; Y276-V286 HydrophobicContact CE2-CG2 4.22Å; Y276-V286 HydrophobicContact CG-CG2 3.84Å; Y276-I453 HydrophobicContact CD2-CG2 3.72Å; Y276-I453 HydrophobicContact CE2-CG2 4.05Å; Y276-Y454 PolarHBondContact N-O 3.18Å; Y276-V455 WeakPolarHBondContact O-CA 3.26Å; Y276-N456 PolarHBondContact O-N 2.84Å
277T89.9Confident83.5Confident90 Ų9064.2 Ų64.255%0.55236%0.359SS*.EExtended strand (participates in β ladder)trans-122.3120.3171.7-56.70000108.3N456 V458T277-N456 WeakPolarHBondContact CA-O 3.21Å; T277-N456 HydrophobicContact CG2-CB 4.34Å; T277-V458 HydrophobicContact CG2-CB 4.42Å; T277-V458 HydrophobicContact CG2-CG2 3.56Å
278F88.7Confident83.7Confident22 Ų2264.6 Ų64.610%0.09636%0.362CS..EExtended strand (participates in β ladder)trans-117.5147.4-178.9-56.9-66.1000110.3Y276 A284 V286 F422 L426 V455 N456 I457 V458Y276-F278 HydrophobicContact CD1-CE1 4.08Å; Y276-F278 HydrophobicContact CD1-CE2 4.46Å; Y276-F278 AromaticContact CD1-CZ 3.63Å; Y276-F278 HydrophobicContact CD1-CZ 3.63Å; Y276-F278 HydrophobicContact CG-CE2 4.4Å; Y276-F278 AromaticContact CG-CZ 3.99Å; Y276-F278 HydrophobicContact CG-CZ 3.99Å; F278-A284 HydrophobicContact CB-CB 3.95Å; F278-A284 HydrophobicContact CD1-CB 3.72Å; F278-A284 HydrophobicContact CD2-CB 3.45Å; F278-A284 VanDerWaalsContact CD2-CB 3.45Å; F278-A284 HydrophobicContact CE1-CB 3.99Å; F278-A284 HydrophobicContact CE2-CB 3.73Å; F278-A284 HydrophobicContact CG-CB 3.43Å; F278-A284 VanDerWaalsContact CG-CB 3.43Å; F278-A284 HydrophobicContact CZ-CB 3.98Å; F278-V286 HydrophobicContact CE2-CG2 4.11Å; F278-V286 HydrophobicContact CZ-CG2 3.94Å; F278-F422 HydrophobicContact CE2-CE2 4.49Å; F278-L426 HydrophobicContact CB-CD1 4.43Å; F278-V455 HydrophobicContact CD2-CG1 3.83Å; F278-V455 HydrophobicContact CE2-CG1 3.9Å; F278-N456 PolarHBondContact N-O 2.9Å; F278-I457 HydrophobicContact CB-CD1 4.23Å; F278-I457 HydrophobicContact CD2-CD1 4.35Å; F278-I457 WeakPolarHBondContact O-CA 3.2Å; F278-V458 PolarHBondContact O-N 3.28Å
279K85.2Confident83.9Confident95 Ų9564.7 Ų64.741%0.41336%0.36SS..EExtended strand (participates in β ladder)trans-81.7156.9167.3-55.9174179.3-171.90111.1D281 D282 L426 V458 D460K279-D281 PolarHBondContact O-N 2.83Å; K279-D282 HydrophobicContact CB-CB 4.42Å; K279-D282 WeakPolarHBondContact CB-OD2 3.27Å; K279-D282 VanDerWaalsContact CG-OD2 3.29Å; K279-D282 WeakPolarHBondContact CG-OD2 3.42Å; K279-D282 PolarHBondContact N-OD2 2.84Å; K279-D282 PolarHBondContact O-N 3.03Å; K279-L426 WeakPolarHBondContact O-CD1 3.47Å; K279-V458 VanDerWaalsContact CA-O 3.24Å; K279-V458 WeakPolarHBondContact CA-O 3.38Å; K279-D460 IonicContact NZ-OD2 2.75Å; K279-D460 PolarHBondContact NZ-OD2 3.21Å
280T80.8Confident83.9Confident35 Ų3563.6 Ų63.622%0.21535%0.354CS..THydrogen-bonded Turntrans-48.8-33.6177.2-59.70000114.5L426 V458T280-L426 WeakPolarHBondContact O-CB 3.18Å; T280-V458 PolarHBondContact N-O 2.85Å
281D74.4Confident84Confident109 Ų10962.7 Ų62.758%0.58335%0.347SS*.THydrogen-bonded Turntrans-99.3-9.5-176.1-57.8-56.6000114.1K279 K424K279-D281 PolarHBondContact O-N 2.83Å; D281-K424 PolarHBondContact O-NZ 3.29Å
282D76.6Confident84.4Confident67 Ų6760.3 Ų60.336%0.35832%0.322SS..SBendtrans-69.8157.4-175.6-72-23.4000112.6K279 A284 K424 L426K279-D282 HydrophobicContact CB-CB 4.42Å; K279-D282 WeakPolarHBondContact CB-OD2 3.27Å; K279-D282 VanDerWaalsContact CG-OD2 3.29Å; K279-D282 WeakPolarHBondContact CG-OD2 3.42Å; K279-D282 PolarHBondContact N-OD2 2.84Å; K279-D282 PolarHBondContact O-N 3.03Å; D282-A284 PolarHBondContact O-N 3.44Å; D282-A284 VanDerWaalsContact O-N 3.11Å; D282-K424 VanDerWaalsContact C-NZ 3.3Å; D282-K424 WeakPolarHBondContact O-CE 3.41Å; D282-K424 PolarHBondContact O-NZ 2.03Å; D282-K424 VanDerWaalsContact O-NZ 3.1Å; D282-L426 VanDerWaalsContact O-CD1 3.32Å; D282-L426 WeakPolarHBondContact O-CD1 3.48Å
283S81.3Confident84.9Confident99 Ų9956.1 Ų56.169%0.69230%0.296SS*.  trans-79.482.7166.953.50000110.7T285S283-T285 PolarHBondContact O-N 3.06Å
284A87.9Confident85.2Confident3 Ų352 Ų523%0.02527%0.271CS..  trans-68.1111.7177.400000112.3F278 D282 F422 L426F278-A284 HydrophobicContact CB-CB 3.95Å; F278-A284 HydrophobicContact CD1-CB 3.72Å; F278-A284 HydrophobicContact CD2-CB 3.45Å; F278-A284 VanDerWaalsContact CD2-CB 3.45Å; F278-A284 HydrophobicContact CE1-CB 3.99Å; F278-A284 HydrophobicContact CE2-CB 3.73Å; F278-A284 HydrophobicContact CG-CB 3.43Å; F278-A284 VanDerWaalsContact CG-CB 3.43Å; F278-A284 HydrophobicContact CZ-CB 3.98Å; D282-A284 PolarHBondContact O-N 3.44Å; D282-A284 VanDerWaalsContact O-N 3.11Å; A284-F422 HydrophobicContact CB-CB 3.87Å; A284-F422 HydrophobicContact CB-CD2 4.24Å; A284-F422 HydrophobicContact CB-CG 4.19Å; A284-F422 PolarHBondContact O-N 2.76Å; A284-L426 HydrophobicContact CB-CD1 3.57Å; A284-L426 HydrophobicContact CB-CD2 3.95Å; A284-L426 HydrophobicContact CB-CG 4.43Å
285T89.5Confident85.3Confident42 Ų4253 Ų5326%0.25828%0.279SS..EExtended strand (participates in β ladder)trans-139.3130.5172.3-58.60000109.3S283 I287 K419 L420S283-T285 PolarHBondContact O-N 3.06Å; T285-I287 HydrophobicContact CG2-CG1 4.44Å; T285-K419 HydrophobicContact CG2-CB 4.15Å; T285-L420 WeakPolarHBondContact CA-O 3.31Å
286V90.8Very high84.8Confident1 Ų155 Ų551%0.00629%0.285CS..EExtended strand (participates in β ladder)trans-103.4142173.3176.60000108.5Y276 F278 W301 K419 L420 F422 I453 V455Y276-V286 HydrophobicContact CD1-CG2 4.01Å; Y276-V286 HydrophobicContact CD2-CG1 4.21Å; Y276-V286 HydrophobicContact CD2-CG2 3.95Å; Y276-V286 HydrophobicContact CE1-CG1 4.5Å; Y276-V286 HydrophobicContact CE1-CG2 4.25Å; Y276-V286 HydrophobicContact CE2-CG1 3.73Å; Y276-V286 HydrophobicContact CE2-CG2 4.22Å; Y276-V286 HydrophobicContact CG-CG2 3.84Å; F278-V286 HydrophobicContact CE2-CG2 4.11Å; F278-V286 HydrophobicContact CZ-CG2 3.94Å; V286-W301 HydrophobicContact CB-CH2 4.36Å; V286-W301 HydrophobicContact CG1-CH2 3.7Å; V286-W301 HydrophobicContact CG1-CZ3 3.98Å; V286-K419 CarbonylContact O-C 3.58Å; V286-K419 WeakPolarHBondContact O-CA 3.34Å; V286-L420 HydrophobicContact CB-CB 4.46Å; V286-L420 PolarHBondContact N-O 3.42Å; V286-L420 PolarHBondContact O-N 2.82Å; V286-F422 HydrophobicContact CB-CE2 4.4Å; V286-F422 HydrophobicContact CG2-CE2 3.77Å; V286-F422 HydrophobicContact CG2-CZ 4.4Å; V286-I453 HydrophobicContact CG1-CD1 3.9Å; V286-I453 HydrophobicContact CG1-CG2 4.23Å; V286-V455 HydrophobicContact CG2-CG2 4.49Å
287I90.6Very high84.7Confident74 Ų7452.8 Ų52.838%0.37928%0.278SS..EExtended strand (participates in β ladder)trans-124.1133.1-177.4-52.1-173.3000109.2T285 M417 K419T285-I287 HydrophobicContact CG2-CG1 4.44Å; I287-M417 HydrophobicContact CG2-CG 3.65Å; I287-M417 HydrophobicContact CG2-SD 3.67Å; I287-K419 HydrophobicContact CD1-CG 4.49Å; I287-K419 HydrophobicContact CG1-CG 4.11Å; I287-K419 HydrophobicContact CG2-CG 4.25Å
288A90.8Very high84.6Confident8 Ų850.5 Ų50.57%0.06626%0.264CS..EExtended strand (participates in β ladder)trans-121.8143.7169.800000110.7I290 W301 M417 T418 V437A288-I290 HydrophobicContact CB-CD1 4.27Å; A288-W301 HydrophobicContact CB-CH2 3.94Å; A288-W301 HydrophobicContact CB-CZ2 3.8Å; A288-M417 WeakPolarHBondContact O-CA 3.21Å; A288-T418 HydrophobicContact CB-CG2 3.88Å; A288-T418 PolarHBondContact N-O 2.78Å; A288-T418 PolarHBondContact O-N 3.43Å; A288-V437 HydrophobicContact CB-CG1 3.78Å; A288-V437 HydrophobicContact CB-CG2 4.31Å
289R91.4Very high84.6Confident112 Ų11250.9 Ų50.942%0.42327%0.267SS..EExtended strand (participates in β ladder)trans-116.5134.7179.4-67.5175.3-177.6170.80.8107.7I269 L270 L415 F416 M417I269-R289 CarbonylContact C-O 3.59Å; I269-R289 WeakPolarHBondContact CA-O 3.11Å; L270-R289 HydrophobicContact CB-CB 4.04Å; L270-R289 PolarHBondContact N-O 3.45Å; R289-L415 HydrophobicContact CB-CD1 4.12Å; R289-F416 CarbonylContact C-O 3.56Å; R289-F416 WeakPolarHBondContact CA-O 3.42Å; R289-M417 HydrophobicContact CG-CG 4.47Å; R289-M417 HydrophobicContact CG-SD 4.46Å
290I89.8Confident84.9Confident0 Ų048.9 Ų48.90%026%0.259CS..EExtended strand (participates in β ladder)trans-132.1127.6-176.5-62.191000108.4P267 K268 I269 A288 I299 L415 F416 T418 T439P267-I290 HydrophobicContact CB-CG2 3.55Å; K268-I290 CarbonylContact O-C 3.57Å; K268-I290 VanDerWaalsContact O-CA 3.28Å; K268-I290 WeakPolarHBondContact O-CA 3.01Å; I269-I290 HydrophobicContact CG1-CG1 4.28Å; A288-I290 HydrophobicContact CB-CD1 4.27Å; I290-I299 HydrophobicContact CD1-CD1 3.95Å; I290-I299 HydrophobicContact CD1-CG1 4.33Å; I290-I299 HydrophobicContact CG1-CD1 4.36Å; I290-L415 CarbonylContact O-C 3.52Å; I290-F416 HydrophobicContact CB-CB 4.36Å; I290-F416 PolarHBondContact N-O 2.82Å; I290-F416 PolarHBondContact O-N 2.8Å; I290-T418 HydrophobicContact CD1-CG2 3.83Å; I290-T439 HydrophobicContact CG1-CG2 4.37Å; I290-T439 HydrophobicContact CG2-CG2 4.07Å
291K88.3Confident85.5Confident59 Ų5947.4 Ų47.426%0.25725%0.249SC..EExtended strand (participates in β ladder)trans-99.3131173.1-138.8-172.3-172.3-165.60109.9P267 K268 L270 E413 Q414P267-K291 CarbonylContact C-O 3.51Å; P267-K291 WeakPolarHBondContact CA-O 3.44Å; K268-K291 PolarHBondContact N-O 2.88Å; K268-K291 PolarHBondContact O-N 3.31Å; L270-K291 HydrophobicContact CD1-CB 4.02Å; L270-K291 HydrophobicContact CD1-CG 4.33Å; L270-K291 HydrophobicContact CD2-CB 4.23Å; L270-K291 HydrophobicContact CG-CB 4.14Å; K291-E413 HydrophobicContact CD-CB 4.18Å; K291-E413 WeakPolarHBondContact CD-OE2 3.39Å; K291-E413 WeakPolarHBondContact CE-OE2 3.37Å; K291-E413 HydrophobicContact CG-CB 4.22Å; K291-E413 IonicContact NZ-OE2 3.4Å; K291-E413 PolarHBondContact NZ-OE2 2.74Å; K291-Q414 WeakPolarHBondContact CA-O 3.27Å
292C85.1Confident86.4Confident1 Ų142.2 Ų42.21%0.00722%0.221CC..EExtended strand (participates in β ladder)trans-151145.7177.3-165.90000111.9A265 P267 C294 Q414 F416A265-C292 PolarHBondContact O-SG 2.94Å; P267-C292 HydrophobicContact CB-CB 3.99Å; C292-C294 HydrophobicContact CB-CB 4.36Å; C292-C294 WeakPolarHBondContact CB-SG 3.38Å; C292-C294 PolarHBondContact O-N 3.07Å; C292-C294 WeakPolarHBondContact SG-CB 3.44Å; C292-C294 PolarHBondContact SG-N 2.65Å; C292-C294 CovalentContact SG-SG 2.04Å; C292-C294 PolarHBondContact SG-SG 3.08Å; C292-Q414 PolarHBondContact N-O 3.44Å; C292-Q414 PolarHBondContact O-N 2.83Å; C292-F416 HydrophobicContact CB-CD2 4.32Å; C292-F416 HydrophobicContact CB-CE2 3.96Å
293A80.4Confident87.1Confident7 Ų739.1 Ų39.16%0.05821%0.205CC..SBendtrans-86.816.6166.800000113.5P263 S264 K411P263-A293 HydrophobicContact CB-CB 3.87Å; P263-A293 HydrophobicContact CG-CB 4.1Å; P263-A293 VanDerWaalsContact O-CB 3.26Å; P263-A293 WeakPolarHBondContact O-CB 3.47Å; S264-A293 WeakPolarHBondContact O-CB 3.38Å; S264-A293 PolarHBondContact O-N 3.16Å; A293-K411 VanDerWaalsContact O-CD 3.28Å; A293-K411 WeakPolarHBondContact O-CD 3.44Å; A293-K411 WeakPolarHBondContact O-CG 3.31Å
294C77.9Confident87.7Confident11 Ų1137.1 Ų37.17%0.07418%0.182CC..SBendtrans-93.1161.4176.355.80000111.8C292 Q414C292-C294 HydrophobicContact CB-CB 4.36Å; C292-C294 WeakPolarHBondContact CB-SG 3.38Å; C292-C294 PolarHBondContact O-N 3.07Å; C292-C294 WeakPolarHBondContact SG-CB 3.44Å; C292-C294 PolarHBondContact SG-N 2.65Å; C292-C294 CovalentContact SG-SG 2.04Å; C292-C294 PolarHBondContact SG-SG 3.08Å; C294-Q414 PolarHBondContact O-NE2 2.92Å
295D75.4Confident87.8Confident116 Ų11637.5 Ų37.562%0.6218%0.184SC*.SBendtrans-69.3-45.1175.1-54.5-60.8000110.9K411 F416D295-K411 WeakPolarHBondContact OD1-CE 3.39Å; D295-K411 IonicContact OD1-NZ 3.81Å; D295-K411 PolarHBondContact OD1-NZ 2.77Å; D295-K411 IonicContact OD2-NZ 2.74Å; D295-K411 PolarHBondContact OD2-NZ 3.4Å; D295-F416 WeakPolarHBondContact O-CZ 3.49Å
296E77.3Confident87.7Confident148 Ų14838.6 Ų38.669%0.69219%0.186SC*.SBendtrans-149.6106.4-176.3-171.4163.9-147.600109.4
297P86.1Confident87.4Confident10 Ų1043.9 Ų43.97%0.06522%0.221CC..  trans-76141172.528.3-30.9000110.2P267 I299 F416P267-P297 HydrophobicContact CB-CB 3.98Å; P267-P297 HydrophobicContact CG-CB 4.22Å; P297-I299 HydrophobicContact CB-CG1 4.38Å; P297-I299 HydrophobicContact CG-CD1 3.84Å; P297-I299 HydrophobicContact CG-CG1 4.23Å; P297-I299 PolarHBondContact O-N 3.33Å; P297-F416 VanDerWaalsContact CD-CE1 3.43Å; P297-F416 HydrophobicContact CG-CB 4.37Å; P297-F416 HydrophobicContact CG-CD1 4.04Å; P297-F416 HydrophobicContact CG-CD2 3.65Å; P297-F416 HydrophobicContact CG-CE1 4.23Å; P297-F416 HydrophobicContact CG-CE2 3.86Å; P297-F416 HydrophobicContact CG-CG 3.74Å; P297-F416 HydrophobicContact CG-CZ 4.15Å
298V87.3Confident87Confident41 Ų4143.7 Ų43.725%0.24824%0.237CC..EExtended strand (participates in β ladder)trans-69.3123.8167.3174.60000107.2Q300 T439 M440 L442V298-Q300 HydrophobicContact CG1-CG 4.28Å; V298-T439 CarbonylContact O-C 3.57Å; V298-T439 WeakPolarHBondContact O-CA 3.03Å; V298-T439 PolarHBondContact O-OG1 2.85Å; V298-T439 VanDerWaalsContact O-OG1 3.06Å; V298-M440 HydrophobicContact CB-CG 3.76Å; V298-M440 HydrophobicContact CG1-CG 4.12Å; V298-M440 HydrophobicContact CG2-CG 4.49Å; V298-M440 PolarHBondContact N-O 2.83Å; V298-M440 PolarHBondContact O-N 2.88Å; V298-L442 HydrophobicContact CG2-CD2 3.55Å; V298-L442 HydrophobicContact CG2-CG 3.87Å
299I90.5Very high86.7Confident31 Ų3145.7 Ų45.716%0.15925%0.245CC..EExtended strand (participates in β ladder)trans-127.4127.3178.5-66.5159.9000107.7I290 P297 T351 F416 T418 V437 M438I290-I299 HydrophobicContact CD1-CD1 3.95Å; I290-I299 HydrophobicContact CD1-CG1 4.33Å; I290-I299 HydrophobicContact CG1-CD1 4.36Å; P297-I299 HydrophobicContact CB-CG1 4.38Å; P297-I299 HydrophobicContact CG-CD1 3.84Å; P297-I299 HydrophobicContact CG-CG1 4.23Å; P297-I299 PolarHBondContact O-N 3.33Å; I299-T351 HydrophobicContact CD1-CG2 3.91Å; I299-F416 HydrophobicContact CD1-CB 4.1Å; I299-T418 HydrophobicContact CG2-CG2 3.79Å; I299-V437 HydrophobicContact CG2-CG2 4Å; I299-M438 WeakPolarHBondContact CA-O 3.08Å
300Q90.8Very high86.4Confident53 Ų5344.3 Ų44.325%0.24824%0.243CC..EExtended strand (participates in β ladder)trans-131.3137.6-179.3-69.5-176-20.400111V298 V437 M438V298-Q300 HydrophobicContact CG1-CG 4.28Å; Q300-V437 WeakPolarHBondContact O-CA 3.38Å; Q300-M438 PolarHBondContact N-O 3.09Å; Q300-M438 PolarHBondContact O-N 3.3Å
301W93.3Very high86.1Confident4 Ų449.2 Ų49.22%0.01527%0.269CS..EExtended strand (participates in β ladder)trans-102.6133.2171.5-73.492.7000109.8V286 A288 L338 V348 T418 L420 I436 V437 I453V286-W301 HydrophobicContact CB-CH2 4.36Å; V286-W301 HydrophobicContact CG1-CH2 3.7Å; V286-W301 HydrophobicContact CG1-CZ3 3.98Å; A288-W301 HydrophobicContact CB-CH2 3.94Å; A288-W301 HydrophobicContact CB-CZ2 3.8Å; W301-L338 HydrophobicContact CB-CB 4.21Å; W301-L338 HydrophobicContact CB-CD1 4.13Å; W301-L338 WeakPolarHBondContact O-CB 3.49Å; W301-L338 PolarHBondContact O-N 3.33Å; W301-V348 HydrophobicContact CB-CG2 3.86Å; W301-V348 HydrophobicContact CG-CG2 4Å; W301-T418 HydrophobicContact CZ2-CG2 3.83Å; W301-T418 PolarHBondContact NE1-OG1 3.43Å; W301-L420 HydrophobicContact CB-CD1 4.14Å; W301-L420 HydrophobicContact CD2-CB 3.85Å; W301-L420 HydrophobicContact CD2-CD1 4.32Å; W301-L420 HydrophobicContact CD2-CD2 4.17Å; W301-L420 HydrophobicContact CD2-CG 4.34Å; W301-L420 HydrophobicContact CE3-CB 3.93Å; W301-L420 HydrophobicContact CE3-CD2 3.65Å; W301-L420 HydrophobicContact CE3-CG 4.27Å; W301-L420 HydrophobicContact CG-CB 4.43Å; W301-L420 HydrophobicContact CG-CD1 4.13Å; W301-L420 HydrophobicContact CH2-CB 4.18Å; W301-L420 HydrophobicContact CZ2-CB 4.07Å; W301-L420 HydrophobicContact CZ3-CB 4.1Å; W301-L420 HydrophobicContact CZ3-CD2 4.09Å; W301-I436 WeakPolarHBondContact CA-O 3.45Å; W301-V437 HydrophobicContact CD2-CB 3.89Å; W301-V437 HydrophobicContact CD2-CG2 4.03Å; W301-V437 HydrophobicContact CE3-CB 3.74Å; W301-V437 HydrophobicContact CE3-CG2 4.39Å; W301-V437 HydrophobicContact CG-CG2 4.48Å; W301-V437 HydrophobicContact CH2-CB 3.95Å; W301-V437 HydrophobicContact CH2-CG1 4.08Å; W301-V437 HydrophobicContact CH2-CG2 4.43Å; W301-V437 HydrophobicContact CZ2-CB 4.11Å; W301-V437 HydrophobicContact CZ2-CG1 4.49Å; W301-V437 HydrophobicContact CZ2-CG2 4.09Å; W301-V437 HydrophobicContact CZ3-CB 3.78Å; W301-V437 HydrophobicContact CZ3-CG1 4.16Å; W301-I453 HydrophobicContact CH2-CD1 4.18Å; W301-I453 HydrophobicContact CZ3-CD1 3.97Å
302L92.9Very high86Confident0 Ų051.1 Ų51.10%028%0.28CS..EExtended strand (participates in β ladder)trans-126.1144.3-175.9-52.2179.1000110.4I321 L323 Y335 V336 I337 Y435 I436 M438L302-I321 HydrophobicContact CD1-CG2 4.35Å; L302-I321 HydrophobicContact CD2-CG2 3.96Å; L302-L323 HydrophobicContact CD1-CD2 4.11Å; L302-Y335 HydrophobicContact CB-CD1 3.97Å; L302-Y335 HydrophobicContact CB-CG 4.45Å; L302-V336 WeakPolarHBondContact CA-O 3.44Å; L302-I337 HydrophobicContact CD2-CB 4.27Å; L302-I337 HydrophobicContact CD2-CG1 3.78Å; L302-Y435 CarbonylContact O-C 3.47Å; L302-Y435 VanDerWaalsContact O-CA 3.31Å; L302-Y435 WeakPolarHBondContact O-CA 3.4Å; L302-I436 HydrophobicContact CB-CB 4.26Å; L302-I436 HydrophobicContact CD1-CG2 4.27Å; L302-I436 PolarHBondContact N-O 3.03Å; L302-I436 PolarHBondContact O-N 3.09Å; L302-M438 HydrophobicContact CD1-CE 3.84Å
303K92.7Very high86Confident2 Ų251.8 Ų51.81%0.00928%0.282CS..EExtended strand (participates in β ladder)trans-108.8138.8161.1-166.6-158.3171.6-166.50108.7E309 Y313 Y335 V336 L338 Y435K303-E309 IonicContact NZ-OE2 3.74Å; K303-Y313 PolarHBondContact NZ-OH 2.99Å; K303-Y335 CarbonylContact O-C 3.51Å; K303-Y335 VanDerWaalsContact O-CA 3.3Å; K303-Y335 WeakPolarHBondContact O-CA 3.34Å; K303-V336 HydrophobicContact CB-CG2 4.29Å; K303-V336 PolarHBondContact N-O 2.04Å; K303-V336 PolarHBondContact O-N 3.4Å; K303-L338 HydrophobicContact CB-CD1 4.27Å; K303-L338 HydrophobicContact CB-CD2 4.16Å; K303-L338 HydrophobicContact CB-CG 4.35Å; K303-Y435 HydrophobicContact CB-CD1 4.21Å; K303-Y435 HydrophobicContact CB-CE1 3.92Å; K303-Y435 HydrophobicContact CG-CD1 4.31Å; K303-Y435 HydrophobicContact CG-CE1 3.84Å; K303-Y435 HydrophobicContact CG-CE2 4.08Å
304R92.3Very high86.1Confident57 Ų5756.4 Ų56.422%0.21530%0.303CS..EExtended strand (participates in β ladder)trans-61.3140.2164.7-174.3-174.6-166.1-101.11.9109.9E306 E333 Y335 K434R304-E306 WeakPolarHBondContact CD-OE1 3.45Å; R304-E306 IonicContact CZ-OE1 3.85Å; R304-E306 IonicContact NH1-OE1 3.66Å; R304-E306 PolarHBondContact NH1-OE1 2.89Å; R304-E306 IonicContact NH1-OE2 3.55Å; R304-E306 PolarHBondContact NH1-OE2 2.85Å; R304-E333 IonicContact CZ-OE1 2.7Å; R304-E333 VanDerWaalsContact CZ-OE1 3.3Å; R304-E333 IonicContact NE-OE1 3.77Å; R304-E333 PolarHBondContact NE-OE1 3.46Å; R304-E333 IonicContact NH2-OE1 3.61Å; R304-E333 PolarHBondContact NH2-OE1 3.02Å; R304-Y335 HydrophobicContact CB-CD1 4.16Å; R304-Y335 HydrophobicContact CB-CE1 3.7Å; R304-Y335 HydrophobicContact CG-CE1 4.38Å; R304-K434 HydrophobicContact CB-CB 3.93Å; R304-K434 WeakPolarHBondContact CB-O 3.42Å; R304-K434 PolarHBondContact N-O 2.85Å
305V91.2Very high86.4Confident10 Ų1063.1 Ų63.16%0.06133%0.333CS..PPolyproline II helixtrans-89.1127.2169.4-178.50000108.6E309 E310 Y313 V334 V336V305-E309 HydrophobicContact CG1-CB 4.14Å; V305-E310 HydrophobicContact CG1-CB 4.39Å; V305-E310 HydrophobicContact CG1-CG 3.64Å; V305-Y313 HydrophobicContact CB-CD2 4.35Å; V305-Y313 HydrophobicContact CG1-CD2 3.68Å; V305-Y313 HydrophobicContact CG1-CE2 4.06Å; V305-Y313 HydrophobicContact CG2-CD2 3.92Å; V305-Y313 HydrophobicContact CG2-CE2 4.26Å; V305-Y313 HydrophobicContact CG2-CG 4.41Å; V305-V334 HydrophobicContact CG2-CG1 4.34Å; V305-V334 PolarHBondContact N-O 2.88Å; V305-V336 HydrophobicContact CG2-CB 4.4Å; V305-V336 HydrophobicContact CG2-CG1 3.67Å; V305-V336 HydrophobicContact CG2-CG2 4.05Å
306E87.8Confident86.9Confident65 Ų6559.7 Ų59.730%0.30432%0.318SS..PPolyproline II helixtrans-79145.5175.3-66.3-56.4133.400111.2R304 G308 E309R304-E306 WeakPolarHBondContact CD-OE1 3.45Å; R304-E306 IonicContact CZ-OE1 3.85Å; R304-E306 IonicContact NH1-OE1 3.66Å; R304-E306 PolarHBondContact NH1-OE1 2.89Å; R304-E306 IonicContact NH1-OE2 3.55Å; R304-E306 PolarHBondContact NH1-OE2 2.85Å; E306-G308 PolarHBondContact O-N 3.38Å; E306-G308 VanDerWaalsContact O-N 3.09Å; E306-E309 HydrophobicContact CB-CG 4.11Å; E306-E309 WeakPolarHBondContact O-CB 3.32Å; E306-E309 PolarHBondContact O-N 2.87Å
307P83.6Confident87.2Confident113 Ų11355 Ų5573%0.73431%0.309SS*.THydrogen-bonded Turntrans-56.1117.1-178.4-26.735.5000112.5
308G82.3Confident87.2Confident70 Ų7055 Ų5572%0.72231%0.31SS*.THydrogen-bonded Turntrans102.4-18.9-175.600000115.2E306 E310E306-G308 PolarHBondContact O-N 3.38Å; E306-G308 VanDerWaalsContact O-N 3.09Å; G308-E310 PolarHBondContact O-N 2.85Å
309E84.9Confident87.2Confident50 Ų5056 Ų5623%0.23432%0.317CS..  trans-76.9-11.1171.9-65.4-164.7139.200112.9K303 V305 E306 L311 M312 Y313K303-E309 IonicContact NZ-OE2 3.74Å; V305-E309 HydrophobicContact CG1-CB 4.14Å; E306-E309 HydrophobicContact CB-CG 4.11Å; E306-E309 WeakPolarHBondContact O-CB 3.32Å; E306-E309 PolarHBondContact O-N 2.87Å; E309-L311 VanDerWaalsContact C-N 3.31Å; E309-L311 PolarHBondContact O-N 2.94Å; E309-M312 HydrophobicContact CB-CE 3.84Å; E309-M312 HydrophobicContact CG-CE 3.98Å; E309-M312 WeakPolarHBondContact O-CB 3.45Å; E309-M312 PolarHBondContact O-N 2.8Å; E309-Y313 HydrophobicContact CB-CD2 4Å; E309-Y313 HydrophobicContact CB-CE2 3.81Å; E309-Y313 WeakPolarHBondContact O-CD2 3.09Å; E309-Y313 PolarHBondContact O-N 3.45Å; E309-Y313 WeakPolarHBondContact OE2-CE2 3.42Å
310E83.8Confident87Confident83 Ų8357.4 Ų57.439%0.38832%0.322SS..Hα-helixtrans-51.2-42.2-172.7-75.4-165-114.300115.3V305 G308 Y313 E314 K320V305-E310 HydrophobicContact CG1-CB 4.39Å; V305-E310 HydrophobicContact CG1-CG 3.64Å; G308-E310 PolarHBondContact O-N 2.85Å; E310-Y313 PolarHBondContact O-N 3.41Å; E310-E314 WeakPolarHBondContact O-CG 3.47Å; E310-E314 PolarHBondContact O-N 3.19Å; E310-E314 VanDerWaalsContact O-N 3.08Å; E310-K320 IonicContact OE2-NZ 3.3Å; E310-K320 PolarHBondContact OE2-NZ 2.75Å
311L83.6Confident86.8Confident103 Ų10357 Ų5754%0.53932%0.321SS..Hα-helixtrans-71.7-33.5-178.5-170.771.5000112E309 E314 Q315E309-L311 VanDerWaalsContact C-N 3.31Å; E309-L311 PolarHBondContact O-N 2.94Å; L311-E314 PolarHBondContact O-N 2.69Å; L311-Q315 WeakPolarHBondContact O-CB 3.19Å; L311-Q315 VanDerWaalsContact O-CG 3.25Å; L311-Q315 WeakPolarHBondContact O-CG 3.45Å; L311-Q315 PolarHBondContact O-N 3.25Å
312M85.8Confident86.4Confident99 Ų9961.5 Ų61.549%0.48835%0.351SS..Hα-helixtrans-64.1-43.2174.6167.5-177.461.100110.3E309 S316E309-M312 HydrophobicContact CB-CE 3.84Å; E309-M312 HydrophobicContact CG-CE 3.98Å; E309-M312 WeakPolarHBondContact O-CB 3.45Å; E309-M312 PolarHBondContact O-N 2.8Å; M312-S316 WeakPolarHBondContact O-CB 3.06Å; M312-S316 PolarHBondContact O-N 3.06Å; M312-S316 VanDerWaalsContact O-N 3.08Å; M312-S316 PolarHBondContact O-OG 2.68Å
313Y86.1Confident86Confident14 Ų1462.2 Ų62.26%0.05535%0.354CS..Hα-helixtrans-66.3-42.6177.5-76-65.8000112K303 V305 E309 E310 S316 G317 A318 V336 W341K303-Y313 PolarHBondContact NZ-OH 2.99Å; V305-Y313 HydrophobicContact CB-CD2 4.35Å; V305-Y313 HydrophobicContact CG1-CD2 3.68Å; V305-Y313 HydrophobicContact CG1-CE2 4.06Å; V305-Y313 HydrophobicContact CG2-CD2 3.92Å; V305-Y313 HydrophobicContact CG2-CE2 4.26Å; V305-Y313 HydrophobicContact CG2-CG 4.41Å; E309-Y313 HydrophobicContact CB-CD2 4Å; E309-Y313 HydrophobicContact CB-CE2 3.81Å; E309-Y313 WeakPolarHBondContact O-CD2 3.09Å; E309-Y313 PolarHBondContact O-N 3.45Å; E309-Y313 WeakPolarHBondContact OE2-CE2 3.42Å; E310-Y313 PolarHBondContact O-N 3.41Å; Y313-S316 PolarHBondContact O-N 3.5Å; Y313-S316 PolarHBondContact O-OG 2.79Å; Y313-G317 PolarHBondContact O-N 2.73Å; Y313-A318 HydrophobicContact CD1-CB 4.04Å; Y313-A318 WeakPolarHBondContact O-CB 3.07Å; Y313-A318 PolarHBondContact O-N 2.83Å; Y313-V336 HydrophobicContact CD1-CG1 4.28Å; Y313-V336 HydrophobicContact CD1-CG2 4Å; Y313-V336 HydrophobicContact CE1-CG2 3.98Å; Y313-V336 HydrophobicContact CG-CG1 4.21Å; Y313-V336 HydrophobicContact CG-CG2 4.48Å; Y313-W341 HydrophobicContact CD1-CH2 4.2Å; Y313-W341 AromaticContact CD1-CZ2 3.89Å; Y313-W341 HydrophobicContact CD1-CZ2 3.89Å; Y313-W341 AromaticContact CE1-CH2 3.96Å; Y313-W341 HydrophobicContact CE1-CH2 3.96Å; Y313-W341 AromaticContact CE1-CZ2 3.62Å; Y313-W341 HydrophobicContact CE1-CZ2 3.62Å
314E82.7Confident85.1Confident105 Ų10564.4 Ų64.449%0.49137%0.369SS..Hα-helixtrans-59.4-50173.7-75.1169.817800112.6E310 L311 S316 G317 K320E310-E314 WeakPolarHBondContact O-CG 3.47Å; E310-E314 PolarHBondContact O-N 3.19Å; E310-E314 VanDerWaalsContact O-N 3.08Å; L311-E314 PolarHBondContact O-N 2.69Å; E314-S316 PolarHBondContact O-N 3.45Å; E314-G317 PolarHBondContact O-N 2.75Å; E314-K320 HydrophobicContact CG-CD 4.37Å; E314-K320 WeakPolarHBondContact OE1-CE 3.45Å; E314-K320 IonicContact OE1-NZ 2.76Å; E314-K320 PolarHBondContact OE1-NZ 2.91Å
315Q84.9Confident84.2Confident152 Ų15268.2 Ų68.271%0.7139%0.393SS*.Hα-helixtrans-62.1-26.4178.4-72.7174.81.400113.1L311 G317L311-Q315 WeakPolarHBondContact O-CB 3.19Å; L311-Q315 VanDerWaalsContact O-CG 3.25Å; L311-Q315 WeakPolarHBondContact O-CG 3.45Å; L311-Q315 PolarHBondContact O-N 3.25Å; Q315-G317 VanDerWaalsContact C-N 3.34Å
316S84.6Confident83.6Confident43 Ų4368.6 Ų68.630%0.30140%0.397SS..THydrogen-bonded Turntrans-80.1-10.5175.476.10000114.5M312 Y313 E314 W341M312-S316 WeakPolarHBondContact O-CB 3.06Å; M312-S316 PolarHBondContact O-N 3.06Å; M312-S316 VanDerWaalsContact O-N 3.08Å; M312-S316 PolarHBondContact O-OG 2.68Å; Y313-S316 PolarHBondContact O-N 3.5Å; Y313-S316 PolarHBondContact O-OG 2.79Å; E314-S316 PolarHBondContact O-N 3.45Å; S316-W341 WeakPolarHBondContact O-CB 3.41Å
317G84.5Confident83.2Confident50 Ų5073.5 Ų73.552%0.51541%0.413SS..THydrogen-bonded Turntrans80.719.9-173.900000114.4Y313 E314 Q315Y313-G317 PolarHBondContact O-N 2.73Å; E314-G317 PolarHBondContact O-N 2.75Å; Q315-G317 VanDerWaalsContact C-N 3.34Å
318A86.7Confident83.1Confident10 Ų1075.3 Ų75.38%0.08342%0.415CS..  trans-70.9129.9179.500000111.6Y313 K320 V336 W341Y313-A318 HydrophobicContact CD1-CB 4.04Å; Y313-A318 WeakPolarHBondContact O-CB 3.07Å; Y313-A318 PolarHBondContact O-N 2.83Å; A318-K320 PolarHBondContact O-N 3.11Å; A318-K320 VanDerWaalsContact O-N 3.13Å; A318-V336 HydrophobicContact CB-CB 4.19Å; A318-V336 HydrophobicContact CB-CG1 3.87Å; A318-W341 HydrophobicContact CB-CD2 3.6Å; A318-W341 HydrophobicContact CB-CE3 3.49Å; A318-W341 VanDerWaalsContact CB-CE3 3.49Å; A318-W341 HydrophobicContact CB-CG 4.05Å; A318-W341 HydrophobicContact CB-CH2 4.35Å; A318-W341 HydrophobicContact CB-CZ2 4.45Å; A318-W341 HydrophobicContact CB-CZ3 3.87Å
319T86.5Confident83Confident63 Ų6377.8 Ų77.839%0.38742%0.417SS..  trans-74.2105.9178.3-50.70000110V336 I337 S340T319-V336 WeakPolarHBondContact O-CA 3.41Å; T319-I337 HydrophobicContact CG2-CD1 3.89Å; T319-I337 PolarHBondContact O-N 2.89Å; T319-I337 VanDerWaalsContact O-N 3.12Å; T319-S340 PolarHBondContact N-OG 3.02Å; T319-S340 PolarHBondContact OG1-OG 2.92Å
320K85.8Confident82.9Confident60 Ų6076 Ų7626%0.26141%0.408SS..EExtended strand (participates in β ladder)trans-69.9139.5170.7-74.5-177.5171.1-178.20110.9E310 E314 A318 V334 Y335 V336E310-K320 IonicContact OE2-NZ 3.3Å; E310-K320 PolarHBondContact OE2-NZ 2.75Å; E314-K320 HydrophobicContact CG-CD 4.37Å; E314-K320 WeakPolarHBondContact OE1-CE 3.45Å; E314-K320 IonicContact OE1-NZ 2.76Å; E314-K320 PolarHBondContact OE1-NZ 2.91Å; A318-K320 PolarHBondContact O-N 3.11Å; A318-K320 VanDerWaalsContact O-N 3.13Å; K320-V334 HydrophobicContact CB-CG1 4.14Å; K320-V334 HydrophobicContact CD-CG1 3.99Å; K320-V334 HydrophobicContact CG-CG1 3.97Å; K320-Y335 CarbonylContact C-O 3.58Å; K320-Y335 VanDerWaalsContact CA-O 3.3Å; K320-Y335 WeakPolarHBondContact CA-O 3.4Å; K320-V336 HydrophobicContact CG-CG1 4.08Å
321I86.7Confident82.7Confident44 Ų4477.9 Ų77.923%0.22642%0.417CS..EExtended strand (participates in β ladder)trans-145.6134.7176.4-167.3170.1000110.4L302 Y335 I337L302-I321 HydrophobicContact CD1-CG2 4.35Å; L302-I321 HydrophobicContact CD2-CG2 3.96Å; I321-Y335 PolarHBondContact N-O 2.81Å; I321-Y335 PolarHBondContact O-N 2.89Å; I321-I337 HydrophobicContact CG2-CG1 4.04Å
322P85.5Confident82.7Confident99 Ų9980.8 Ų80.864%0.64343%0.433SS*.EExtended strand (participates in β ladder)trans-80.4153.8168.333.6-34.3000110.5P324P322-P324 WeakPolarHBondContact O-CD 3.25Å
323L83Confident82.9Confident14 Ų1477.3 Ų77.37%0.07342%0.416CS..PPolyproline II helixtrans-72.1120.3176.4-74.9176.1000111.7L302 N325 A326 Y335 I436 M438 Y450L302-L323 HydrophobicContact CD1-CD2 4.11Å; L323-N325 PolarHBondContact O-N 3.33Å; L323-A326 HydrophobicContact CB-CB 3.88Å; L323-A326 WeakPolarHBondContact O-CB 3.18Å; L323-A326 PolarHBondContact O-N 2.83Å; L323-Y335 HydrophobicContact CD1-CD2 4.1Å; L323-Y335 HydrophobicContact CD1-CE2 3.43Å; L323-Y335 VanDerWaalsContact CD1-CE2 3.43Å; L323-Y335 HydrophobicContact CD2-CD2 4.25Å; L323-Y335 HydrophobicContact CD2-CE2 4.35Å; L323-Y335 HydrophobicContact CG-CD2 3.71Å; L323-Y335 HydrophobicContact CG-CE2 3.6Å; L323-I436 HydrophobicContact CD1-CD1 3.61Å; L323-I436 HydrophobicContact CD2-CD1 3.78Å; L323-I436 HydrophobicContact CG-CD1 4.28Å; L323-M438 HydrophobicContact CD2-CE 3.73Å; L323-Y450 HydrophobicContact CD1-CE2 4.45Å
324P74.1Confident83.1Confident48 Ų4878.9 Ų78.931%0.31243%0.427SS..THydrogen-bonded Turntrans-66134.1168.828.4-31.9000109.5P322 A326 M438 L448P322-P324 WeakPolarHBondContact O-CD 3.25Å; P324-A326 VanDerWaalsContact C-N 3.26Å; P324-A326 PolarHBondContact O-N 2.94Å; P324-M438 HydrophobicContact CG-CE 3.98Å; P324-M438 HydrophobicContact CG-SD 4.32Å; P324-L448 HydrophobicContact CB-CD1 4.15Å; P324-L448 HydrophobicContact CG-CD1 3.38Å; P324-L448 HydrophobicContact CG-CD2 3.96Å; P324-L448 HydrophobicContact CG-CG 4.34Å
325N74.8Confident83.5Confident137 Ų13773.9 Ų73.973%0.73340%0.403SS*.THydrogen-bonded Turntrans53.141.8-174.2-55.7-26.3000113.1L323 Y450L323-N325 PolarHBondContact O-N 3.33Å; N325-Y450 PolarHBondContact O-OH 2.7Å
326A77.1Confident83.8Confident18 Ų1866.7 Ų66.715%0.14937%0.369CS..  trans-56138.7171.800000112L323 P324 E330 Q331L323-A326 HydrophobicContact CB-CB 3.88Å; L323-A326 WeakPolarHBondContact O-CB 3.18Å; L323-A326 PolarHBondContact O-N 2.83Å; P324-A326 VanDerWaalsContact C-N 3.26Å; P324-A326 PolarHBondContact O-N 2.94Å; A326-E330 HydrophobicContact CB-CB 4.27Å; A326-Q331 HydrophobicContact CB-CG 3.96Å
327R79.8Confident84.1Confident168 Ų16866.1 Ų66.163%0.63436%0.363SS*.  trans-62.2157.9169.7-57.4176.7-176.2-165.7-1.8109.7T329 E330 Q331R327-T329 PolarHBondContact O-N 3.17Å; R327-E330 HydrophobicContact CB-CB 4.48Å; R327-E330 HydrophobicContact CB-CG 4.29Å; R327-E330 VanDerWaalsContact CB-OE2 3.31Å; R327-E330 WeakPolarHBondContact CB-OE2 3.28Å; R327-E330 VanDerWaalsContact CD-OE2 3.24Å; R327-E330 WeakPolarHBondContact CD-OE2 3.23Å; R327-E330 WeakPolarHBondContact CG-OE2 3.38Å; R327-E330 IonicContact NE-OE2 3.03Å; R327-E330 CarbonylContact O-C 3.48Å; R327-E330 WeakPolarHBondContact O-CA 3.42Å; R327-E330 PolarHBondContact O-N 3.2Å; R327-Q331 WeakPolarHBondContact O-CG 3.44Å; R327-Q331 PolarHBondContact O-N 3.31Å; R327-Q331 VanDerWaalsContact O-N 3.1Å
328I81.2Confident84.4Confident152 Ų15264.1 Ų64.178%0.77934%0.34SS*.THydrogen-bonded Turntrans-54.8-32.3180-59.6171000111.8E330I328-E330 VanDerWaalsContact C-N 3.28Å; I328-E330 PolarHBondContact O-N 2.8Å
329T80.9Confident84.1Confident122 Ų12265.7 Ų65.775%0.74836%0.358SS*.THydrogen-bonded Turntrans-73.9-9.6174.950.30000115.2R327R327-T329 PolarHBondContact O-N 3.17Å
330E83.3Confident83.7Confident13 Ų1363.9 Ų63.96%0.06135%0.347CS..THydrogen-bonded Turntrans-125-7-168.9-60.4177.6129.600113A326 R327 I328 N332 E333 K434A326-E330 HydrophobicContact CB-CB 4.27Å; R327-E330 HydrophobicContact CB-CB 4.48Å; R327-E330 HydrophobicContact CB-CG 4.29Å; R327-E330 VanDerWaalsContact CB-OE2 3.31Å; R327-E330 WeakPolarHBondContact CB-OE2 3.28Å; R327-E330 VanDerWaalsContact CD-OE2 3.24Å; R327-E330 WeakPolarHBondContact CD-OE2 3.23Å; R327-E330 WeakPolarHBondContact CG-OE2 3.38Å; R327-E330 IonicContact NE-OE2 3.03Å; R327-E330 CarbonylContact O-C 3.48Å; R327-E330 WeakPolarHBondContact O-CA 3.42Å; R327-E330 PolarHBondContact O-N 3.2Å; I328-E330 VanDerWaalsContact C-N 3.28Å; I328-E330 PolarHBondContact O-N 2.8Å; E330-N332 PolarHBondContact O-N 3.13Å; E330-N332 VanDerWaalsContact O-N 3.12Å; E330-E333 WeakPolarHBondContact O-CB 3.36Å; E330-E333 PolarHBondContact O-N 2.94Å; E330-K434 IonicContact OE1-NZ 2.74Å; E330-K434 PolarHBondContact OE1-NZ 3.01Å
331Q79.2Confident83.7Confident121 Ų12162.3 Ų62.357%0.56534%0.34SS*.THydrogen-bonded Turntrans-59.6-23.7-176.8-80166.59.200114.7A326 R327A326-Q331 HydrophobicContact CB-CG 3.96Å; R327-Q331 WeakPolarHBondContact O-CG 3.44Å; R327-Q331 PolarHBondContact O-N 3.31Å; R327-Q331 VanDerWaalsContact O-N 3.1Å
332N83.8Confident83.2Confident164 Ų16467 Ų6788%0.87736%0.364SS*.THydrogen-bonded Turntrans-100.210.8178.4-63.2-17.9000113E330E330-N332 PolarHBondContact O-N 3.13Å; E330-N332 VanDerWaalsContact O-N 3.12Å
333E89.2Confident82.9Confident27 Ų2768.1 Ų68.113%0.12636%0.364CS..  trans-95.1128.2-179.7-62.3-169139.100112.3R304 E330 Y335 K434R304-E333 IonicContact CZ-OE1 2.7Å; R304-E333 VanDerWaalsContact CZ-OE1 3.3Å; R304-E333 IonicContact NE-OE1 3.77Å; R304-E333 PolarHBondContact NE-OE1 3.46Å; R304-E333 IonicContact NH2-OE1 3.61Å; R304-E333 PolarHBondContact NH2-OE1 3.02Å; E330-E333 WeakPolarHBondContact O-CB 3.36Å; E330-E333 PolarHBondContact O-N 2.94Å; E333-Y335 HydrophobicContact CB-CD2 4.39Å; E333-Y335 HydrophobicContact CB-CE2 3.58Å; E333-Y335 PolarHBondContact OE2-OH 2.8Å; E333-K434 IonicContact OE1-NZ 2.71Å; E333-K434 IonicContact OE2-NZ 3.79Å; E333-K434 PolarHBondContact OE2-NZ 2.99Å
334V89.6Confident83Confident47 Ų4767.7 Ų67.729%0.28536%0.362SS..EExtended strand (participates in β ladder)trans-97.2138.6175.2-178.60000109.9V305 K320V305-V334 HydrophobicContact CG2-CG1 4.34Å; V305-V334 PolarHBondContact N-O 2.88Å; K320-V334 HydrophobicContact CB-CG1 4.14Å; K320-V334 HydrophobicContact CD-CG1 3.99Å; K320-V334 HydrophobicContact CG-CG1 3.97Å
335Y91.7Very high83.7Confident0 Ų065.6 Ų65.60%035%0.349CS..EExtended strand (participates in β ladder)trans-121.8157178.5-71.4-99.2000111.4L302 K303 R304 K320 I321 L323 E333 K434 I436L302-Y335 HydrophobicContact CB-CD1 3.97Å; L302-Y335 HydrophobicContact CB-CG 4.45Å; K303-Y335 CarbonylContact O-C 3.51Å; K303-Y335 VanDerWaalsContact O-CA 3.3Å; K303-Y335 WeakPolarHBondContact O-CA 3.34Å; R304-Y335 HydrophobicContact CB-CD1 4.16Å; R304-Y335 HydrophobicContact CB-CE1 3.7Å; R304-Y335 HydrophobicContact CG-CE1 4.38Å; K320-Y335 CarbonylContact C-O 3.58Å; K320-Y335 VanDerWaalsContact CA-O 3.3Å; K320-Y335 WeakPolarHBondContact CA-O 3.4Å; I321-Y335 PolarHBondContact N-O 2.81Å; I321-Y335 PolarHBondContact O-N 2.89Å; L323-Y335 HydrophobicContact CD1-CD2 4.1Å; L323-Y335 HydrophobicContact CD1-CE2 3.43Å; L323-Y335 VanDerWaalsContact CD1-CE2 3.43Å; L323-Y335 HydrophobicContact CD2-CD2 4.25Å; L323-Y335 HydrophobicContact CD2-CE2 4.35Å; L323-Y335 HydrophobicContact CG-CD2 3.71Å; L323-Y335 HydrophobicContact CG-CE2 3.6Å; E333-Y335 HydrophobicContact CB-CD2 4.39Å; E333-Y335 HydrophobicContact CB-CE2 3.58Å; E333-Y335 PolarHBondContact OE2-OH 2.8Å; Y335-K434 VanDerWaalsContact OH-CD 3.3Å; Y335-K434 WeakPolarHBondContact OH-CD 3.5Å; Y335-K434 WeakPolarHBondContact OH-CE 3.34Å; Y335-K434 PolarHBondContact OH-NZ 3.41Å; Y335-K434 VanDerWaalsContact OH-NZ 3.14Å; Y335-I436 HydrophobicContact CD1-CD1 4.25Å; Y335-I436 HydrophobicContact CE1-CD1 3.5Å; Y335-I436 HydrophobicContact CE1-CG1 3.98Å; Y335-I436 HydrophobicContact CE2-CD1 4.41Å
336V91.6Very high84.3Confident0 Ų059.1 Ų59.10%031%0.314CS..EExtended strand (participates in β ladder)trans-122.6138.3173.4-75.10000111.7L302 K303 V305 Y313 A318 T319 K320 L338 W341L302-V336 WeakPolarHBondContact CA-O 3.44Å; K303-V336 HydrophobicContact CB-CG2 4.29Å; K303-V336 PolarHBondContact N-O 2.04Å; K303-V336 PolarHBondContact O-N 3.4Å; V305-V336 HydrophobicContact CG2-CB 4.4Å; V305-V336 HydrophobicContact CG2-CG1 3.67Å; V305-V336 HydrophobicContact CG2-CG2 4.05Å; Y313-V336 HydrophobicContact CD1-CG1 4.28Å; Y313-V336 HydrophobicContact CD1-CG2 4Å; Y313-V336 HydrophobicContact CE1-CG2 3.98Å; Y313-V336 HydrophobicContact CG-CG1 4.21Å; Y313-V336 HydrophobicContact CG-CG2 4.48Å; A318-V336 HydrophobicContact CB-CB 4.19Å; A318-V336 HydrophobicContact CB-CG1 3.87Å; T319-V336 WeakPolarHBondContact O-CA 3.41Å; K320-V336 HydrophobicContact CG-CG1 4.08Å; V336-L338 PolarHBondContact O-N 2.84Å; V336-W341 HydrophobicContact CB-CH2 4.22Å; V336-W341 HydrophobicContact CB-CZ3 4.02Å; V336-W341 HydrophobicContact CG2-CH2 3.76Å; V336-W341 HydrophobicContact CG2-CZ3 4.07Å
337I90.8Very high84.8Confident32 Ų3262.6 Ų62.616%0.16433%0.329CS..EExtended strand (participates in β ladder)trans-76.4110.4-176.7-54.1177.8000110.5L302 T319 I321 G339 S340 W341L302-I337 HydrophobicContact CD2-CB 4.27Å; L302-I337 HydrophobicContact CD2-CG1 3.78Å; T319-I337 HydrophobicContact CG2-CD1 3.89Å; T319-I337 PolarHBondContact O-N 2.89Å; T319-I337 VanDerWaalsContact O-N 3.12Å; I321-I337 HydrophobicContact CG2-CG1 4.04Å; I337-G339 PolarHBondContact O-N 3.16Å; I337-S340 VanDerWaalsContact O-CB 3.31Å; I337-S340 WeakPolarHBondContact O-CB 3.25Å; I337-S340 PolarHBondContact O-N 2.88Å; I337-S340 PolarHBondContact O-OG 3.18Å; I337-W341 WeakPolarHBondContact O-CZ3 3.39Å
338L90.2Very high85.3Confident8 Ų857.1 Ų57.14%0.04231%0.314CS..THydrogen-bonded Turntrans-65.2132.3-176.8-70.5162.6000111W301 K303 V336 W341 P345 V348 L420 Y435W301-L338 HydrophobicContact CB-CB 4.21Å; W301-L338 HydrophobicContact CB-CD1 4.13Å; W301-L338 WeakPolarHBondContact O-CB 3.49Å; W301-L338 PolarHBondContact O-N 3.33Å; K303-L338 HydrophobicContact CB-CD1 4.27Å; K303-L338 HydrophobicContact CB-CD2 4.16Å; K303-L338 HydrophobicContact CB-CG 4.35Å; V336-L338 PolarHBondContact O-N 2.84Å; L338-W341 HydrophobicContact CD2-CH2 4.01Å; L338-W341 HydrophobicContact CD2-CZ3 4.49Å; L338-P345 HydrophobicContact CD2-CG 3.83Å; L338-V348 HydrophobicContact CB-CG2 4.48Å; L338-L420 HydrophobicContact CB-CD1 4.45Å; L338-L420 HydrophobicContact CD1-CD1 4.09Å; L338-L420 HydrophobicContact CD1-CD2 3.98Å; L338-Y435 HydrophobicContact CD1-CD1 3.58Å; L338-Y435 HydrophobicContact CD1-CE1 3.62Å; L338-Y435 HydrophobicContact CD2-CE1 4.46Å
339G80.3Confident85.6Confident43 Ų4352 Ų5244%0.44329%0.287SS..THydrogen-bonded Turntrans88.2-6.8-170.700000115.6I337 W341 S344I337-G339 PolarHBondContact O-N 3.16Å; G339-W341 PolarHBondContact O-N 3.26Å; G339-S344 PolarHBondContact N-OG 2.88Å
340S79.5Confident85.8Confident24 Ų2454.4 Ų54.417%0.16829%0.287CS..SBendtrans-72.6-7.6178.796.20000114.5T319 I337T319-S340 PolarHBondContact N-OG 3.02Å; T319-S340 PolarHBondContact OG1-OG 2.92Å; I337-S340 VanDerWaalsContact O-CB 3.31Å; I337-S340 WeakPolarHBondContact O-CB 3.25Å; I337-S340 PolarHBondContact O-N 2.88Å; I337-S340 PolarHBondContact O-OG 3.18Å
341W84.8Confident86Confident28 Ų2856.3 Ų56.311%0.10630%0.3CS..SBendtrans-147.7157.9-171.579.198.5000113.7Y313 S316 A318 V336 I337 L338 G339 S344 P345Y313-W341 HydrophobicContact CD1-CH2 4.2Å; Y313-W341 AromaticContact CD1-CZ2 3.89Å; Y313-W341 HydrophobicContact CD1-CZ2 3.89Å; Y313-W341 AromaticContact CE1-CH2 3.96Å; Y313-W341 HydrophobicContact CE1-CH2 3.96Å; Y313-W341 AromaticContact CE1-CZ2 3.62Å; Y313-W341 HydrophobicContact CE1-CZ2 3.62Å; S316-W341 WeakPolarHBondContact O-CB 3.41Å; A318-W341 HydrophobicContact CB-CD2 3.6Å; A318-W341 HydrophobicContact CB-CE3 3.49Å; A318-W341 VanDerWaalsContact CB-CE3 3.49Å; A318-W341 HydrophobicContact CB-CG 4.05Å; A318-W341 HydrophobicContact CB-CH2 4.35Å; A318-W341 HydrophobicContact CB-CZ2 4.45Å; A318-W341 HydrophobicContact CB-CZ3 3.87Å; V336-W341 HydrophobicContact CB-CH2 4.22Å; V336-W341 HydrophobicContact CB-CZ3 4.02Å; V336-W341 HydrophobicContact CG2-CH2 3.76Å; V336-W341 HydrophobicContact CG2-CZ3 4.07Å; I337-W341 WeakPolarHBondContact O-CZ3 3.39Å; L338-W341 HydrophobicContact CD2-CH2 4.01Å; L338-W341 HydrophobicContact CD2-CZ3 4.49Å; G339-W341 PolarHBondContact O-N 3.26Å; W341-S344 VanDerWaalsContact CH2-OG 3.26Å; W341-S344 WeakPolarHBondContact CH2-OG 3.48Å; W341-S344 WeakPolarHBondContact CZ2-OG 3.42Å; W341-S344 WeakPolarHBondContact CZ3-OG 3.45Å; W341-S344 PolarHBondContact O-N 3.03Å; W341-P345 VanDerWaalsContact CZ2-CD 3.43Å
342I75.9Confident86.3Confident143 Ų14353 Ų5373%0.73329%0.288SS*.THydrogen-bonded Turntrans-70.3133.8179.6-56.6173.9000109.1
343N80.8Confident86.3Confident121 Ų12148 Ų4865%0.64727%0.27SS*.THydrogen-bonded Turntrans67.528-173.6-49.5-41.7000115.3R430N343-R430 PolarHBondContact O-NH2 3.25Å
344S85.1Confident85.9Confident5 Ų552 Ų524%0.03528%0.284CS..  trans-52.4140164.6-156.10000111.5G339 W341 A346 Q423 R430G339-S344 PolarHBondContact N-OG 2.88Å; W341-S344 VanDerWaalsContact CH2-OG 3.26Å; W341-S344 WeakPolarHBondContact CH2-OG 3.48Å; W341-S344 WeakPolarHBondContact CZ2-OG 3.42Å; W341-S344 WeakPolarHBondContact CZ3-OG 3.45Å; W341-S344 PolarHBondContact O-N 3.03Å; S344-A346 PolarHBondContact O-N 3.4Å; S344-Q423 PolarHBondContact O-NE2 2.8Å; S344-Q423 VanDerWaalsContact O-NE2 3.12Å; S344-Q423 PolarHBondContact O-OE1 2.96Å; S344-R430 PolarHBondContact O-NH2 2.82Å
345P87Confident84.7Confident4 Ų454.7 Ų54.73%0.02630%0.301CS..SBendtrans-67.8-20.4-172.528.2-37.2000113.9L338 W341 Q423 R430 H431L338-P345 HydrophobicContact CD2-CG 3.83Å; W341-P345 VanDerWaalsContact CZ2-CD 3.43Å; P345-Q423 PolarHBondContact O-N 2.92Å; P345-R430 HydrophobicContact CB-CG 3.84Å; P345-R430 WeakPolarHBondContact CB-O 3.48Å; P345-H431 PolarHBondContact O-CD2 2.96Å; P345-H431 VanDerWaalsContact O-CD2 3.24Å; P345-H431 PolarHBondContact O-NE2 2.86Å
346A88.7Confident82.9Confident1 Ų159 Ų591%0.00832%0.324CS..EExtended strand (participates in β ladder)trans-139.7154.6175.700000110.6S344 L420 R421 F422S344-A346 PolarHBondContact O-N 3.4Å; A346-L420 HydrophobicContact CB-CD1 3.59Å; A346-L420 HydrophobicContact CB-CD2 4.17Å; A346-L420 HydrophobicContact CB-CG 3.73Å; A346-R421 CarbonylContact C-O 3.54Å; A346-R421 WeakPolarHBondContact CA-O 3.39Å; A346-F422 HydrophobicContact CB-CD1 4.17Å; A346-F422 HydrophobicContact CB-CD2 4.45Å; A346-F422 HydrophobicContact CB-CE1 4.43Å; A346-F422 HydrophobicContact CB-CG 4.18Å
347I87.9Confident80.7Confident91 Ų9169.7 Ų69.747%0.46736%0.364SS..EExtended strand (participates in β ladder)trans-109.9129.2-179.8-58.1173.3000107.5R421 Q423I347-R421 PolarHBondContact N-O 3.02Å; I347-R421 PolarHBondContact O-N 2.91Å; I347-Q423 HydrophobicContact CD1-CG 4.27Å; I347-Q423 HydrophobicContact CG1-CG 4.22Å
348V89.2Confident78.1Confident53 Ų5375 Ų7532%0.32139%0.392SS..EExtended strand (participates in β ladder)trans-81122.1170.6-177.40000108.1W301 L338 L420W301-V348 HydrophobicContact CB-CG2 3.86Å; W301-V348 HydrophobicContact CG-CG2 4Å; L338-V348 HydrophobicContact CB-CG2 4.48Å; V348-L420 HydrophobicContact CG2-CD1 3.88Å
349E87.5Confident75.2Confident45 Ų4581.4 Ų81.421%0.2143%0.426CS..EExtended strand (participates in β ladder)trans-78.1152.1172.9-58.5-174.8-176.400110.7T351 K419 R421E349-T351 PolarHBondContact O-N 3.24Å; E349-T351 VanDerWaalsContact O-N 3.16Å; E349-K419 HydrophobicContact CB-CB 4.16Å; E349-K419 HydrophobicContact CG-CB 4.22Å; E349-K419 PolarHBondContact N-O 3.09Å; E349-K419 VanDerWaalsContact OE2-CD 3.24Å; E349-K419 WeakPolarHBondContact OE2-CD 3.38Å; E349-R421 HydrophobicContact CG-CB 4.47Å; E349-R421 IonicContact OE1-CZ 2.86Å; E349-R421 IonicContact OE1-NE 2.99Å; E349-R421 PolarHBondContact OE1-NE 2.87Å; E349-R421 IonicContact OE1-NH2 3.9Å; E349-R421 PolarHBondContact OE1-NH2 2.93Å; E349-R421 IonicContact OE2-NH2 2.73Å
350K85.8Confident72.9Confident173 Ų17385.2 Ų85.275%0.75245%0.447SS*.EExtended strand (participates in β ladder)trans-52.2120.9176-175.6176.1-179.6178.30110T352K350-T352 PolarHBondContact O-N 3.36Å
351T87.3Confident70.9Confident52 Ų5289.5 Ų89.532%0.31947%0.467SS..EExtended strand (participates in β ladder)trans-59.5135.9177.1-610000110I299 E349 F416I299-T351 HydrophobicContact CD1-CG2 3.91Å; E349-T351 PolarHBondContact O-N 3.24Å; E349-T351 VanDerWaalsContact O-N 3.16Å; T351-F416 HydrophobicContact CG2-CB 3.9Å; T351-F416 HydrophobicContact CG2-CD1 4.31Å
352T86.2Confident68.6Low52 Ų5296.9 Ų96.932%0.31950%0.502SS..EExtended strand (participates in β ladder)trans-109.9125.4-178.143.40000110K350 F416 M417K350-T352 PolarHBondContact O-N 3.36Å; T352-F416 CarbonylContact O-C 3.52Å; T352-F416 WeakPolarHBondContact O-CA 3.36Å; T352-M417 PolarHBondContact N-O 3.25Å; T352-M417 PolarHBondContact O-N 2.81Å; T352-M417 PolarHBondContact OG1-O 2.75Å
353A83.3Confident66.4Low60 Ų6097.1 Ų97.150%0.49651%0.505SS..EExtended strand (participates in β ladder)trans-98132.6179.100000110.8F416A353-F416 HydrophobicContact CB-CD1 3.77Å; A353-F416 HydrophobicContact CB-CE1 3.68Å
354Y80.8Confident64.2Low110 Ų11097.6 Ų97.643%0.43151%0.506SS..EExtended strand (participates in β ladder)trans-119.5128.3176.6-60.9-98.4000108.5L415 M417Y354-L415 WeakPolarHBondContact CD2-O 3.47Å; Y354-L415 PolarHBondContact N-O 3.01Å; Y354-L415 PolarHBondContact O-N 3.48Å; Y354-M417 HydrophobicContact CE2-CB 4.09Å; Y354-M417 HydrophobicContact CE2-CE 3.66Å; Y354-M417 WeakPolarHBondContact OH-CE 3.46Å
355T65Low61.7Low103 Ų103105.8 Ų105.863%0.63254%0.541SS*.EExtended strand (participates in β ladder)trans-87.9147169.448.20000109.8R357 Q414T355-R357 VanDerWaalsContact C-N 3.3Å; T355-R357 PolarHBondContact O-N 2.99Å; T355-Q414 HydrophobicContact CG2-CG 4.34Å
356D53.1Low58.9Low90 Ų90112.2 Ų112.248%0.48158%0.58SS.*  trans-74.479.3-172.8-155-11.8000112.1
357R44.7Very low56.1Low226 Ų226116.4 Ų116.485%0.85361%0.61SS**  trans-88.999.9153.3-105.1-175.4169.9161.9-2.2106.8T355 D359T355-R357 VanDerWaalsContact C-N 3.3Å; T355-R357 PolarHBondContact O-N 2.99Å; R357-D359 PolarHBondContact O-N 2.9Å
358L36.6Very low53.2Low143 Ų143118.5 Ų118.575%0.74963%0.629SS**  trans-75.368.6-179.5-171.269.1000111.5
359D30.1Very low50.5Low142 Ų142123.1 Ų123.176%0.75965%0.651SS**SBendtrans-146.1143.3166-87.3-53.4000108.3R357R357-D359 PolarHBondContact O-N 2.9Å
360S31.7Very low47.8Very low124 Ų124125.9 Ų125.987%0.86768%0.675SS**SBendtrans67.719.1170.281.30000121.6
361L37.1Very low45Very low113 Ų113123.2 Ų123.259%0.59268%0.678SS**  trans-132.455.5165.4-150.375.5000115.7I364L361-I364 HydrophobicContact CD1-CD1 3.9Å; L361-I364 HydrophobicContact CD1-CG1 4.36Å
362H35.8Very low42.3Very low184 Ų184127.1 Ų127.185%0.85270%0.702SS**SBendtrans-123.730.1168.5-100.138.9000113.9
363D31.4Very low39.5Very low147 Ų147129.5 Ų129.579%0.78672%0.721SS**  trans-147.866.4167.4-108.5-33.6000113.5
364I33.6Very low37.1Very low131 Ų131134.9 Ų134.967%0.67274%0.74SS**  trans-124.670156.3-52.9-177.4000107.6L361L361-I364 HydrophobicContact CD1-CD1 3.9Å; L361-I364 HydrophobicContact CD1-CG1 4.36Å
365K32.2Very low34.6Very low178 Ų178137.5 Ų137.577%0.77476%0.762SS**  trans-82.2126.5174.6-147.9170.3-170.8172.40108.7S367K365-S367 PolarHBondContact O-N 3.21Å; K365-S367 VanDerWaalsContact O-N 3.14Å
366T28.9Very low33Very low138 Ų138136.3 Ų136.385%0.84777%0.77SS**  trans-60.6113.7-174.5260000112.1
367S29.3Very low31.9Very low89 Ų89139.2 Ų139.262%0.62279%0.785SS**  trans-141.6128.8166.955.50000110K365 I369K365-S367 PolarHBondContact O-N 3.21Å; K365-S367 VanDerWaalsContact O-N 3.14Å; S367-I369 PolarHBondContact O-N 2.86Å
368P28Very low31.5Very low136 Ų136136.7 Ų136.788%0.88379%0.785SS**  trans-88.2104178.432.5-30.5000109.9
369I32.2Very low31.4Very low150 Ų150136.9 Ų136.977%0.76979%0.787SS**  trans-110.7123.3174.2-59.5-177000109.5S367S367-I369 PolarHBondContact O-N 2.86Å
370S30.2Very low31.4Very low102 Ų102136.8 Ų136.871%0.71379%0.791SS**  trans-70.6150.5-178.650.40000112.9T372S370-T372 PolarHBondContact O-N 2.98Å
371S27.1Very low31.4Very low117 Ų117138.2 Ų138.282%0.81879%0.789SS**  trans-50.3125.9176.454.40000114.5
372T30.9Very low31.2Very low134 Ų134142 Ų14282%0.82280%0.804SS**  trans-147.2147142-42.10000108.8S370S370-T372 PolarHBondContact O-N 2.98Å
373S27.7Very low31Very low103 Ų103141.1 Ų141.172%0.7280%0.804SS**  trans-69139-174.952.20000113.8
374L32.1Very low30.9Very low173 Ų173143.1 Ų143.191%0.90681%0.809SS**  trans-153134145.9-110.1157.4000109.5
375N29.4Very low30.7Very low165 Ų165143.1 Ų143.188%0.88281%0.809SS**  trans-82.3141.1-177.9-64.7-25.5000110.6
376G30.7Very low30.8Very low77 Ų77142.2 Ų142.279%0.79481%0.811SS**  trans-177.8111.2171.100000112.3
377N30.8Very low30.8Very low152 Ų152141.3 Ų141.381%0.81380%0.801SS**  trans-70.1138.1170.5-80.7-1.1000110.5
378M35.8Very low31.2Very low172 Ų172141.1 Ų141.185%0.84780%0.799SS**  trans-160.7102.4131.2-117.3163.6-80.400112.1
379D34.3Very low31.2Very low148 Ų148141 Ų14179%0.79179%0.792SS**  trans48.4103.4138.4-52.7-15000120.5
380V30.6Very low31.3Very low140 Ų140140.8 Ų140.885%0.84879%0.792SS**  trans-91.2115.9159.7175.90000109.1
381N31.7Very low31.3Very low154 Ų154144.2 Ų144.282%0.82480%0.802SS**  trans-170.190.4160-101.8-35.4000112.8
382H33.1Very low31.6Very low193 Ų193146.8 Ų146.889%0.89480%0.801SS**  trans179.181.9141-107.5-70.1000112.6
383L30.4Very low31.6Very low165 Ų165149.5 Ų149.586%0.86480%0.802SS**  trans-156.5117.4160.6-110.3158.5000107.7I385L383-I385 PolarHBondContact O-N 2.86Å
384Q30.3Very low31.8Very low188 Ų188150 Ų15088%0.87980%0.803SS**  trans-75108.9-177.9-72.7179.3-6700110
385I29.8Very low31.8Very low131 Ų131144.7 Ų144.767%0.67278%0.78SS**  trans-75.5124.1167.9-54.8176.4000107.4L383 D387L383-I385 PolarHBondContact O-N 2.86Å; I385-D387 VanDerWaalsContact C-N 3.34Å; I385-D387 HydrophobicContact CG2-CB 4.47Å; I385-D387 VanDerWaalsContact CG2-OD1 3.26Å; I385-D387 WeakPolarHBondContact CG2-OD1 3.32Å; I385-D387 PolarHBondContact O-N 3.37Å
386I34.2Very low32Very low159 Ų159141.3 Ų141.382%0.81576%0.761SS**  trans-86.183.9167.8-58178.1000106.6S388I386-S388 VanDerWaalsContact C-N 3.33Å; I386-S388 PolarHBondContact O-N 3.3Å
387D29.3Very low31.9Very low119 Ų119147.8 Ų147.864%0.63676%0.763SS**  trans-72.587.8177.7-84.2-38.8000110.9I385 N389I385-D387 VanDerWaalsContact C-N 3.34Å; I385-D387 HydrophobicContact CG2-CB 4.47Å; I385-D387 VanDerWaalsContact CG2-OD1 3.26Å; I385-D387 WeakPolarHBondContact CG2-OD1 3.32Å; I385-D387 PolarHBondContact O-N 3.37Å; D387-N389 PolarHBondContact O-N 2.84Å
388S36.2Very low32Very low85 Ų85149 Ų14959%0.59476%0.761SS**  trans-72.673.4161.568.40000109.5I386 N390I386-S388 VanDerWaalsContact C-N 3.33Å; I386-S388 PolarHBondContact O-N 3.3Å; S388-N390 PolarHBondContact O-N 2.86Å
389N29.2Very low31.7Very low135 Ų135149.5 Ų149.572%0.72276%0.762SS**  trans-61122.1171.4-80.8-18.2000109.9D387D387-N389 PolarHBondContact O-N 2.84Å
390N34.3Very low31.6Very low145 Ų145147.5 Ų147.578%0.77576%0.757SS**  trans-166.3118.8155.4-103.1-1.9000107.5S388 E392S388-N390 PolarHBondContact O-N 2.86Å; N390-E392 PolarHBondContact O-N 2.83Å
391D29.9Very low31.6Very low174 Ų174151 Ų15193%0.9376%0.761SS**  trans-7979.5-180-71-72.4000111.4
392E32.8Very low31.7Very low171 Ų171148.9 Ų148.980%0.79975%0.752SS**  trans-116.1137.9170.3-78.8-168.8116.800113.8N390N390-E392 PolarHBondContact O-N 2.83Å
393K32.2Very low31.5Very low190 Ų190146.2 Ų146.283%0.82675%0.745SS**  trans-50.3141.6173.8178.8-176.4178.8-175.30110.5S395K393-S395 PolarHBondContact O-N 2.84Å
394P30.3Very low31.5Very low115 Ų115148.4 Ų148.475%0.74774%0.743SS**  trans-63.796.9-175.325.9-35.3000111.8I396P394-I396 PolarHBondContact O-N 2.8Å
395S32.5Very low31.6Very low61 Ų61145.5 Ų145.543%0.42773%0.734SS.*  trans-74.3109.2173.343.80000109.8K393 Y397 F398K393-S395 PolarHBondContact O-N 2.84Å; S395-Y397 PolarHBondContact O-N 2.74Å; S395-F398 WeakPolarHBondContact OG-CE2 3.33Å; S395-F398 WeakPolarHBondContact OG-CZ 3.41Å
396I34.7Very low31.6Very low94 Ų94146.3 Ų146.348%0.48274%0.739SS.*SBendtrans-60.4133.3163.4-50.5174.9000106.8P394P394-I396 PolarHBondContact O-N 2.8Å
397Y27.8Very low31.5Very low213 Ų213147.8 Ų147.884%0.83574%0.74SS**  trans71.6113.9-171.1-42.7-71.6000115.1S395S395-Y397 PolarHBondContact O-N 2.74Å
398F33.6Very low32Very low177 Ų177151.9 Ų151.978%0.77676%0.755SS**  trans-117.7144164.5-89.6-83.1000109.9S395S395-F398 WeakPolarHBondContact OG-CE2 3.33Å; S395-F398 WeakPolarHBondContact OG-CZ 3.41Å
399Q29Very low32.2Very low183 Ų183154.5 Ų154.586%0.85576%0.762SS**  trans-90.7143.1176.7-65.7-175.2-3.700111.4K401Q399-K401 PolarHBondContact O-N 2.94Å
400P31.9Very low33.2Very low106 Ų106153.5 Ų153.569%0.68875%0.753SS**  trans-74118.9-176.328.9-34.2000112.2V402P400-V402 PolarHBondContact O-N 2.78Å; P400-V402 VanDerWaalsContact O-N 3.08Å
401K30.2Very low34.4Very low214 Ų214151.2 Ų151.293%0.9374%0.736SS**  trans-73.494.8167.8-76.9-176.4177.5175.50110.2Q399 N403Q399-K401 PolarHBondContact O-N 2.94Å; K401-N403 PolarHBondContact O-N 2.63Å
402V33.6Very low36.1Very low108 Ų108150.8 Ų150.866%0.65573%0.726SS**  trans-81116.1176.1-179.50000110.4P400 Y404P400-V402 PolarHBondContact O-N 2.78Å; P400-V402 VanDerWaalsContact O-N 3.08Å; V402-Y404 HydrophobicContact CG1-CD2 3.52Å; V402-Y404 HydrophobicContact CG1-CE2 3.86Å
403N30.4Very low38.1Very low137 Ų137145.7 Ų145.773%0.73370%0.702SS**  trans-13093.1169.2-172.2-0.4000109.5K401 N405K401-N403 PolarHBondContact O-N 2.63Å; N403-N405 PolarHBondContact O-N 2.87Å
404Y28.7Very low40.5Very low212 Ų212138.6 Ų138.683%0.83167%0.672SS**  trans-80110.9178.6-96.7-85.5000110.7V402V402-Y404 HydrophobicContact CG1-CD2 3.52Å; V402-Y404 HydrophobicContact CG1-CE2 3.86Å
405N34.1Very low43.2Very low127 Ų127135.5 Ų135.568%0.67965%0.649SS**  trans-146.3103.2166.3-97.2-62.8000112.8N403N403-N405 PolarHBondContact O-N 2.87Å
406N29.3Very low45.9Very low147 Ų147133 Ų13379%0.78663%0.631SS**  trans40.490.1147.4-63.7-27.2000119.8
407K32.7Very low48.5Very low190 Ų190130 Ų13083%0.82662%0.615SS**  179.6158.4117-96.9158.4-175.1177.70111.6N409K407-N409 PolarHBondContact O-N 3.02Å
408H38.3Very low51.5Low205 Ų205119.9 Ų119.995%0.94958%0.575SS**  trans-71.664.2168.8-89.6-81.8000111.6Q410H408-Q410 PolarHBondContact O-N 3.35Å
409N42Very low54.2Low140 Ų140114.5 Ų114.575%0.74955%0.551SS**  trans-80.7106.2165.8-78.4-5.2000108.4K407 K411K407-N409 PolarHBondContact O-N 3.02Å; N409-K411 PolarHBondContact O-N 3.01Å; N409-K411 VanDerWaalsContact O-N 3.08Å
410Q49.3Very low57.2Low115 Ų115105.8 Ų105.854%0.53751%0.511SS..  trans-55.1114.5171.5-170.2176.66.300108.7H408 K412H408-Q410 PolarHBondContact O-N 3.35Å; Q410-K412 PolarHBondContact O-N 3.27Å
411K58.7Low60.1Low96 Ų96107.3 Ų107.342%0.41750%0.503SS..  trans-73.197.6-163.6-158.3163.4-176.7164.60110.1P263 A293 D295 N409P263-K411 WeakPolarHBondContact CG-O 3.38Å; A293-K411 VanDerWaalsContact O-CD 3.28Å; A293-K411 WeakPolarHBondContact O-CD 3.44Å; A293-K411 WeakPolarHBondContact O-CG 3.31Å; D295-K411 WeakPolarHBondContact OD1-CE 3.39Å; D295-K411 IonicContact OD1-NZ 3.81Å; D295-K411 PolarHBondContact OD1-NZ 2.77Å; D295-K411 IonicContact OD2-NZ 2.74Å; D295-K411 PolarHBondContact OD2-NZ 3.4Å; N409-K411 PolarHBondContact O-N 3.01Å; N409-K411 VanDerWaalsContact O-N 3.08Å
412K66.1Low63Low165 Ų16597.6 Ų97.672%0.71746%0.46SS*.  trans-58.9145-175.6-68.8-168.4174.1-168.50111Q410 Q414Q410-K412 PolarHBondContact O-N 3.27Å; K412-Q414 PolarHBondContact O-N 3.21Å
413E74.3Confident65.5Low64 Ų6495 Ų9530%0.29944%0.441SS..  trans-62.2131.7173.3-62.8-173.6136.300110.2P263 K291P263-E413 HydrophobicContact CB-CG 3.41Å; P263-E413 VanDerWaalsContact CB-CG 3.41Å; K291-E413 HydrophobicContact CD-CB 4.18Å; K291-E413 WeakPolarHBondContact CD-OE2 3.39Å; K291-E413 WeakPolarHBondContact CE-OE2 3.37Å; K291-E413 HydrophobicContact CG-CB 4.22Å; K291-E413 IonicContact NZ-OE2 3.4Å; K291-E413 PolarHBondContact NZ-OE2 2.74Å
414Q82.5Confident68.1Low42 Ų4294.2 Ų94.220%0.19643%0.431CS..EExtended strand (participates in β ladder)trans-106.6148.5174.3-55.9-16895.800109.5K291 C292 C294 T355 K412 F416K291-Q414 WeakPolarHBondContact CA-O 3.27Å; C292-Q414 PolarHBondContact N-O 3.44Å; C292-Q414 PolarHBondContact O-N 2.83Å; C294-Q414 PolarHBondContact O-NE2 2.92Å; T355-Q414 HydrophobicContact CG2-CG 4.34Å; K412-Q414 PolarHBondContact O-N 3.21Å; Q414-F416 HydrophobicContact CB-CD2 4.34Å; Q414-F416 HydrophobicContact CB-CE2 3.59Å; Q414-F416 HydrophobicContact CB-CZ 3.85Å
415L87Confident70.8Confident50 Ų5089.3 Ų89.326%0.26243%0.425SS..EExtended strand (participates in β ladder)trans-105.2110.8176.4176.465.6000109.3L270 R289 I290 Y354L270-L415 HydrophobicContact CD1-CD1 3.75Å; R289-L415 HydrophobicContact CB-CD1 4.12Å; I290-L415 CarbonylContact O-C 3.52Å; Y354-L415 WeakPolarHBondContact CD2-O 3.47Å; Y354-L415 PolarHBondContact N-O 3.01Å; Y354-L415 PolarHBondContact O-N 3.48Å
416F89.3Confident73.3Confident9 Ų983.3 Ų83.34%0.03939%0.393CS..EExtended strand (participates in β ladder)trans-96.3123.5176.9-59.8-92.6000109.5R289 I290 C292 D295 P297 I299 T351 T352 A353 Q414R289-F416 CarbonylContact C-O 3.56Å; R289-F416 WeakPolarHBondContact CA-O 3.42Å; I290-F416 HydrophobicContact CB-CB 4.36Å; I290-F416 PolarHBondContact N-O 2.82Å; I290-F416 PolarHBondContact O-N 2.8Å; C292-F416 HydrophobicContact CB-CD2 4.32Å; C292-F416 HydrophobicContact CB-CE2 3.96Å; D295-F416 WeakPolarHBondContact O-CZ 3.49Å; P297-F416 VanDerWaalsContact CD-CE1 3.43Å; P297-F416 HydrophobicContact CG-CB 4.37Å; P297-F416 HydrophobicContact CG-CD1 4.04Å; P297-F416 HydrophobicContact CG-CD2 3.65Å; P297-F416 HydrophobicContact CG-CE1 4.23Å; P297-F416 HydrophobicContact CG-CE2 3.86Å; P297-F416 HydrophobicContact CG-CG 3.74Å; P297-F416 HydrophobicContact CG-CZ 4.15Å; I299-F416 HydrophobicContact CD1-CB 4.1Å; T351-F416 HydrophobicContact CG2-CB 3.9Å; T351-F416 HydrophobicContact CG2-CD1 4.31Å; T352-F416 CarbonylContact O-C 3.52Å; T352-F416 WeakPolarHBondContact O-CA 3.36Å; A353-F416 HydrophobicContact CB-CD1 3.77Å; A353-F416 HydrophobicContact CB-CE1 3.68Å; Q414-F416 HydrophobicContact CB-CD2 4.34Å; Q414-F416 HydrophobicContact CB-CE2 3.59Å; Q414-F416 HydrophobicContact CB-CZ 3.85Å
417M89.7Confident75.9Confident30 Ų3079.9 Ų79.915%0.14838%0.375CS..EExtended strand (participates in β ladder)trans-112.3117.4175.4-176.9162.949.800110.1I287 A288 R289 T352 Y354I287-M417 HydrophobicContact CG2-CG 3.65Å; I287-M417 HydrophobicContact CG2-SD 3.67Å; A288-M417 WeakPolarHBondContact O-CA 3.21Å; R289-M417 HydrophobicContact CG-CG 4.47Å; R289-M417 HydrophobicContact CG-SD 4.46Å; T352-M417 PolarHBondContact N-O 3.25Å; T352-M417 PolarHBondContact O-N 2.81Å; T352-M417 PolarHBondContact OG1-O 2.75Å; Y354-M417 HydrophobicContact CE2-CB 4.09Å; Y354-M417 HydrophobicContact CE2-CE 3.66Å; Y354-M417 WeakPolarHBondContact OH-CE 3.46Å
418T91.3Very high78.5Confident0 Ų075.8 Ų75.80%036%0.357CS..EExtended strand (participates in β ladder)trans-109.8151.1175.5-176.10000109.7A288 I290 I299 W301 V437A288-T418 HydrophobicContact CB-CG2 3.88Å; A288-T418 PolarHBondContact N-O 2.78Å; A288-T418 PolarHBondContact O-N 3.43Å; I290-T418 HydrophobicContact CD1-CG2 3.83Å; I299-T418 HydrophobicContact CG2-CG2 3.79Å; W301-T418 HydrophobicContact CZ2-CG2 3.83Å; W301-T418 PolarHBondContact NE1-OG1 3.43Å; T418-V437 HydrophobicContact CG2-CG2 4.37Å
419K90.8Very high80.6Confident64 Ų6473.1 Ų73.128%0.27835%0.345SS..EExtended strand (participates in β ladder)trans-135.9135.7-177.2-55.3171.9-177.4166.70110.1T285 V286 I287 E349T285-K419 HydrophobicContact CG2-CB 4.15Å; V286-K419 CarbonylContact O-C 3.58Å; V286-K419 WeakPolarHBondContact O-CA 3.34Å; I287-K419 HydrophobicContact CD1-CG 4.49Å; I287-K419 HydrophobicContact CG1-CG 4.11Å; I287-K419 HydrophobicContact CG2-CG 4.25Å; E349-K419 HydrophobicContact CB-CB 4.16Å; E349-K419 HydrophobicContact CG-CB 4.22Å; E349-K419 PolarHBondContact N-O 3.09Å; E349-K419 VanDerWaalsContact OE2-CD 3.24Å; E349-K419 WeakPolarHBondContact OE2-CD 3.38Å
420L91.7Very high82.7Confident0 Ų070.1 Ų70.10%032%0.323CS..EExtended strand (participates in β ladder)trans-108.9106.5174.5-175.771.2000108.7T285 V286 W301 L338 A346 V348 F422 Y435T285-L420 WeakPolarHBondContact CA-O 3.31Å; V286-L420 HydrophobicContact CB-CB 4.46Å; V286-L420 PolarHBondContact N-O 3.42Å; V286-L420 PolarHBondContact O-N 2.82Å; W301-L420 HydrophobicContact CB-CD1 4.14Å; W301-L420 HydrophobicContact CD2-CB 3.85Å; W301-L420 HydrophobicContact CD2-CD1 4.32Å; W301-L420 HydrophobicContact CD2-CD2 4.17Å; W301-L420 HydrophobicContact CD2-CG 4.34Å; W301-L420 HydrophobicContact CE3-CB 3.93Å; W301-L420 HydrophobicContact CE3-CD2 3.65Å; W301-L420 HydrophobicContact CE3-CG 4.27Å; W301-L420 HydrophobicContact CG-CB 4.43Å; W301-L420 HydrophobicContact CG-CD1 4.13Å; W301-L420 HydrophobicContact CH2-CB 4.18Å; W301-L420 HydrophobicContact CZ2-CB 4.07Å; W301-L420 HydrophobicContact CZ3-CB 4.1Å; W301-L420 HydrophobicContact CZ3-CD2 4.09Å; L338-L420 HydrophobicContact CB-CD1 4.45Å; L338-L420 HydrophobicContact CD1-CD1 4.09Å; L338-L420 HydrophobicContact CD1-CD2 3.98Å; A346-L420 HydrophobicContact CB-CD1 3.59Å; A346-L420 HydrophobicContact CB-CD2 4.17Å; A346-L420 HydrophobicContact CB-CG 3.73Å; V348-L420 HydrophobicContact CG2-CD1 3.88Å; L420-F422 HydrophobicContact CD2-CE2 3.81Å; L420-F422 HydrophobicContact CD2-CZ 3.79Å; L420-F422 HydrophobicContact CG-CE2 4.03Å; L420-F422 HydrophobicContact CG-CZ 4.44Å; L420-Y435 HydrophobicContact CD2-CD1 3.79Å; L420-Y435 HydrophobicContact CD2-CE1 4.14Å
421R91.3Very high84.6Confident139 Ų13964.7 Ų64.753%0.52530%0.298SS..EExtended strand (participates in β ladder)trans-94.7121.9179-173.6-171.5-61.5-157.91.8109.9A346 I347 E349A346-R421 CarbonylContact C-O 3.54Å; A346-R421 WeakPolarHBondContact CA-O 3.39Å; I347-R421 PolarHBondContact N-O 3.02Å; I347-R421 PolarHBondContact O-N 2.91Å; E349-R421 HydrophobicContact CG-CB 4.47Å; E349-R421 IonicContact OE1-CZ 2.86Å; E349-R421 IonicContact OE1-NE 2.99Å; E349-R421 PolarHBondContact OE1-NE 2.87Å; E349-R421 IonicContact OE1-NH2 3.9Å; E349-R421 PolarHBondContact OE1-NH2 2.93Å; E349-R421 IonicContact OE2-NH2 2.73Å
422F91.2Very high86.1Confident9 Ų963 Ų634%0.03929%0.291CS..EExtended strand (participates in β ladder)trans-81.2144.7-179.4-69.7-109.4000110.8F278 A284 V286 A346 L420 L426 H431 Y435 V455F278-F422 HydrophobicContact CE2-CE2 4.49Å; A284-F422 HydrophobicContact CB-CB 3.87Å; A284-F422 HydrophobicContact CB-CD2 4.24Å; A284-F422 HydrophobicContact CB-CG 4.19Å; A284-F422 PolarHBondContact O-N 2.76Å; V286-F422 HydrophobicContact CB-CE2 4.4Å; V286-F422 HydrophobicContact CG2-CE2 3.77Å; V286-F422 HydrophobicContact CG2-CZ 4.4Å; A346-F422 HydrophobicContact CB-CD1 4.17Å; A346-F422 HydrophobicContact CB-CD2 4.45Å; A346-F422 HydrophobicContact CB-CE1 4.43Å; A346-F422 HydrophobicContact CB-CG 4.18Å; L420-F422 HydrophobicContact CD2-CE2 3.81Å; L420-F422 HydrophobicContact CD2-CZ 3.79Å; L420-F422 HydrophobicContact CG-CE2 4.03Å; L420-F422 HydrophobicContact CG-CZ 4.44Å; F422-L426 HydrophobicContact CB-CD2 3.6Å; F422-H431 HydrophobicContact CD1-CB 3.99Å; F422-H431 HydrophobicContact CE1-CB 4.47Å; F422-Y435 AromaticContact CE1-CE1 3.89Å; F422-Y435 HydrophobicContact CE1-CE1 3.89Å; F422-Y435 AromaticContact CE1-CE2 3.99Å; F422-Y435 HydrophobicContact CE1-CE2 3.99Å; F422-Y435 AromaticContact CE1-CZ 3.54Å; F422-Y435 HydrophobicContact CZ-CD1 4.31Å; F422-Y435 AromaticContact CZ-CE1 3.98Å; F422-Y435 HydrophobicContact CZ-CE1 3.98Å; F422-Y435 HydrophobicContact CZ-CE2 4.27Å; F422-Y435 AromaticContact CZ-CZ 3.99Å; F422-V455 HydrophobicContact CE1-CG1 4.16Å; F422-V455 HydrophobicContact CE1-CG2 4.49Å; F422-V455 HydrophobicContact CZ-CG1 4.25Å; F422-V455 HydrophobicContact CZ-CG2 3.94Å
423Q87.7Confident87.3Confident54 Ų5456 Ų5625%0.25227%0.266SS..PPolyproline II helixtrans-77.7136.4-179.8-66.8-174.2-10.500111.3S344 P345 I347 H431S344-Q423 PolarHBondContact O-NE2 2.8Å; S344-Q423 VanDerWaalsContact O-NE2 3.12Å; S344-Q423 PolarHBondContact O-OE1 2.96Å; P345-Q423 PolarHBondContact O-N 2.92Å; I347-Q423 HydrophobicContact CD1-CG 4.27Å; I347-Q423 HydrophobicContact CG1-CG 4.22Å; Q423-H431 PolarHBondContact O-CE1 3.41Å; Q423-H431 PolarHBondContact O-NE2 3.05Å
424K85Confident88.1Confident121 Ų12153.3 Ų53.353%0.52625%0.253SS..SBendtrans-86.4149.7172.1-65.4-162-178.6-161.20111.1D281 D282D281-K424 PolarHBondContact O-NZ 3.29Å; D282-K424 VanDerWaalsContact C-NZ 3.3Å; D282-K424 WeakPolarHBondContact O-CE 3.41Å; D282-K424 PolarHBondContact O-NZ 2.03Å; D282-K424 VanDerWaalsContact O-NZ 3.1Å
425P84.5Confident88.6Confident109 Ų10951.4 Ų51.471%0.70824%0.244SC*.SBendcis-75.5146.3-4.131.9-35.3000112.5N427 H431P425-N427 PolarHBondContact O-N 2.89Å; P425-H431 PolarHBondContact O-CE1 2.99Å
426L86Confident88.8Confident1 Ų149 Ų491%0.00523%0.232CC..  trans-79.383.4-177.2-63.1167000110.9F278 K279 T280 D282 A284 F422 I457F278-L426 HydrophobicContact CB-CD1 4.43Å; K279-L426 WeakPolarHBondContact O-CD1 3.47Å; T280-L426 WeakPolarHBondContact O-CB 3.18Å; D282-L426 VanDerWaalsContact O-CD1 3.32Å; D282-L426 WeakPolarHBondContact O-CD1 3.48Å; A284-L426 HydrophobicContact CB-CD1 3.57Å; A284-L426 HydrophobicContact CB-CD2 3.95Å; A284-L426 HydrophobicContact CB-CG 4.43Å; F422-L426 HydrophobicContact CB-CD2 3.6Å; L426-I457 HydrophobicContact CB-CG2 4.35Å; L426-I457 WeakPolarHBondContact O-CG2 3.36Å
427N84.9Confident89Confident74 Ų7448.6 Ų48.640%0.39623%0.23SC..  trans-68.3136.8165.1-174.87.2000109.9P425 E429 R430 H431P425-N427 PolarHBondContact O-N 2.89Å; N427-E429 PolarHBondContact ND2-OE2 2.9Å; N427-E429 PolarHBondContact OD1-N 3.33Å; N427-R430 HydrophobicContact CB-CB 4.37Å; N427-R430 PolarHBondContact O-N 3.11Å; N427-H431 PolarHBondContact N-ND1 2.91Å; N427-H431 PolarHBondContact O-N 3Å; N427-H431 PolarHBondContact O-ND1 3.07Å
428K86.4Confident89Confident105 Ų10547.3 Ų47.346%0.45722%0.224SC..Hα-helixtrans-56.2-53.1174.1-176171.7-179.4171.40111.8R430 H431 E432 I457K428-R430 PolarHBondContact O-N 2.92Å; K428-R430 VanDerWaalsContact O-N 3.16Å; K428-H431 PolarHBondContact O-N 3.48Å; K428-E432 WeakPolarHBondContact CE-OE1 3.21Å; K428-E432 WeakPolarHBondContact CE-OE2 3.09Å; K428-E432 HydrophobicContact CG-CB 4.19Å; K428-E432 WeakPolarHBondContact CG-OE2 3.27Å; K428-E432 IonicContact NZ-OE1 3.75Å; K428-E432 IonicContact NZ-OE2 3.37Å; K428-E432 WeakPolarHBondContact O-CB 3.3Å; K428-E432 PolarHBondContact O-N 3.17Å; K428-I457 HydrophobicContact CB-CB 4.21Å; K428-I457 HydrophobicContact CB-CG2 4.42Å; K428-I457 HydrophobicContact CG-CB 4.37Å
429E83.6Confident88.9Confident149 Ų14947.3 Ų47.370%0.69622%0.224SC*.Hα-helixtrans-56.4-37.2-176.4-59.3159.5153.900112.8N427N427-E429 PolarHBondContact ND2-OE2 2.9Å; N427-E429 PolarHBondContact OD1-N 3.33Å
430R84.7Confident88.5Confident76 Ų7645.9 Ų45.929%0.28722%0.218SC..Hα-helixtrans-83.8-29.9-175.5-175.3171.8-176-119.19.5113.9N343 S344 P345 N427 K428N343-R430 PolarHBondContact O-NH2 3.25Å; S344-R430 PolarHBondContact O-NH2 2.82Å; P345-R430 HydrophobicContact CB-CG 3.84Å; P345-R430 WeakPolarHBondContact CB-O 3.48Å; N427-R430 HydrophobicContact CB-CB 4.37Å; N427-R430 PolarHBondContact O-N 3.11Å; K428-R430 PolarHBondContact O-N 2.92Å; K428-R430 VanDerWaalsContact O-N 3.16Å
431H90Very high88Confident1 Ų145.9 Ų45.91%0.00522%0.218CC..Hα-helixtrans-123.7-13.1-165.2-50.3103.9000115P345 F422 Q423 P425 N427 K428 Y435 I457P345-H431 PolarHBondContact O-CD2 2.96Å; P345-H431 VanDerWaalsContact O-CD2 3.24Å; P345-H431 PolarHBondContact O-NE2 2.86Å; F422-H431 HydrophobicContact CD1-CB 3.99Å; F422-H431 HydrophobicContact CE1-CB 4.47Å; Q423-H431 PolarHBondContact O-CE1 3.41Å; Q423-H431 PolarHBondContact O-NE2 3.05Å; P425-H431 PolarHBondContact O-CE1 2.99Å; N427-H431 PolarHBondContact N-ND1 2.91Å; N427-H431 PolarHBondContact O-N 3Å; N427-H431 PolarHBondContact O-ND1 3.07Å; K428-H431 PolarHBondContact O-N 3.48Å; H431-Y435 PolarHBondContact O-OH 3.3Å; H431-I457 HydrophobicContact CB-CD1 4.12Å; H431-I457 HydrophobicContact CB-CG1 4.13Å
432E90Very high87Confident61 Ų6144.9 Ų44.929%0.28522%0.223SC..  trans-72.2152.6167.3-174.1171.1-121.600110.2K428 V455 I457K428-E432 WeakPolarHBondContact CE-OE1 3.21Å; K428-E432 WeakPolarHBondContact CE-OE2 3.09Å; K428-E432 HydrophobicContact CG-CB 4.19Å; K428-E432 WeakPolarHBondContact CG-OE2 3.27Å; K428-E432 IonicContact NZ-OE1 3.75Å; K428-E432 IonicContact NZ-OE2 3.37Å; K428-E432 WeakPolarHBondContact O-CB 3.3Å; K428-E432 PolarHBondContact O-N 3.17Å; E432-V455 WeakPolarHBondContact CA-O 3.32Å; E432-V455 WeakPolarHBondContact CG-O 3.42Å; E432-I457 HydrophobicContact CB-CG1 4.33Å
433G91.1Very high85.8Confident17 Ų1749 Ų4918%0.17525%0.252CS..EExtended strand (participates in β ladder)trans137.6-166.7169.300000114.5V455G433-V455 PolarHBondContact N-O 3.35Å; G433-V455 PolarHBondContact O-N 2.9Å
434K91.9Very high84.7Confident9 Ų949.7 Ų49.74%0.03926%0.258CS..EExtended strand (participates in β ladder)trans-91.2119.3177.2-171.8-179.1177.7-175.40109.9R304 E330 E333 Y335 V452 Y454R304-K434 HydrophobicContact CB-CB 3.93Å; R304-K434 WeakPolarHBondContact CB-O 3.42Å; R304-K434 PolarHBondContact N-O 2.85Å; E330-K434 IonicContact OE1-NZ 2.74Å; E330-K434 PolarHBondContact OE1-NZ 3.01Å; E333-K434 IonicContact OE1-NZ 2.71Å; E333-K434 IonicContact OE2-NZ 3.79Å; E333-K434 PolarHBondContact OE2-NZ 2.99Å; Y335-K434 VanDerWaalsContact OH-CD 3.3Å; Y335-K434 WeakPolarHBondContact OH-CD 3.5Å; Y335-K434 WeakPolarHBondContact OH-CE 3.34Å; Y335-K434 PolarHBondContact OH-NZ 3.41Å; Y335-K434 VanDerWaalsContact OH-NZ 3.14Å; K434-V452 HydrophobicContact CD-CG1 4.13Å; K434-V452 VanDerWaalsContact CE-CG1 3.49Å; K434-V452 HydrophobicContact CG-CG1 3.72Å; K434-Y454 HydrophobicContact CB-CD1 4.03Å; K434-Y454 HydrophobicContact CB-CE1 3.73Å; K434-Y454 HydrophobicContact CD-CE1 3.99Å; K434-Y454 HydrophobicContact CG-CD1 4.24Å; K434-Y454 HydrophobicContact CG-CE1 3.7Å
435Y93Very high83.8Confident1 Ų148.5 Ų48.50%0.00426%0.261CS..EExtended strand (participates in β ladder)trans-108.3154.4173-71.5-102000109.5L302 K303 L338 L420 F422 H431 I453 V455L302-Y435 CarbonylContact O-C 3.47Å; L302-Y435 VanDerWaalsContact O-CA 3.31Å; L302-Y435 WeakPolarHBondContact O-CA 3.4Å; K303-Y435 HydrophobicContact CB-CD1 4.21Å; K303-Y435 HydrophobicContact CB-CE1 3.92Å; K303-Y435 HydrophobicContact CG-CD1 4.31Å; K303-Y435 HydrophobicContact CG-CE1 3.84Å; K303-Y435 HydrophobicContact CG-CE2 4.08Å; L338-Y435 HydrophobicContact CD1-CD1 3.58Å; L338-Y435 HydrophobicContact CD1-CE1 3.62Å; L338-Y435 HydrophobicContact CD2-CE1 4.46Å; L420-Y435 HydrophobicContact CD2-CD1 3.79Å; L420-Y435 HydrophobicContact CD2-CE1 4.14Å; F422-Y435 AromaticContact CE1-CE1 3.89Å; F422-Y435 HydrophobicContact CE1-CE1 3.89Å; F422-Y435 AromaticContact CE1-CE2 3.99Å; F422-Y435 HydrophobicContact CE1-CE2 3.99Å; F422-Y435 AromaticContact CE1-CZ 3.54Å; F422-Y435 HydrophobicContact CZ-CD1 4.31Å; F422-Y435 AromaticContact CZ-CE1 3.98Å; F422-Y435 HydrophobicContact CZ-CE1 3.98Å; F422-Y435 HydrophobicContact CZ-CE2 4.27Å; F422-Y435 AromaticContact CZ-CZ 3.99Å; H431-Y435 PolarHBondContact O-OH 3.3Å; Y435-I453 WeakPolarHBondContact CA-O 3.38Å; Y435-I453 WeakPolarHBondContact CB-O 3.47Å; Y435-I453 PolarHBondContact N-O 2.9Å; Y435-I453 PolarHBondContact O-N 3.36Å; Y435-I453 VanDerWaalsContact O-O 3.14Å; Y435-V455 HydrophobicContact CD2-CB 3.99Å; Y435-V455 HydrophobicContact CD2-CG2 3.66Å; Y435-V455 HydrophobicContact CE2-CB 4.05Å; Y435-V455 HydrophobicContact CE2-CG2 4.1Å; Y435-V455 HydrophobicContact CG-CG2 4.31Å
436I91.5Very high82.8Confident0 Ų052.2 Ų52.20%027%0.266CS..EExtended strand (participates in β ladder)trans-132.5141.2172.5-73.6176.8000108.7W301 L302 L323 Y335 M438 Y450 I451 V452W301-I436 WeakPolarHBondContact CA-O 3.45Å; L302-I436 HydrophobicContact CB-CB 4.26Å; L302-I436 HydrophobicContact CD1-CG2 4.27Å; L302-I436 PolarHBondContact N-O 3.03Å; L302-I436 PolarHBondContact O-N 3.09Å; L323-I436 HydrophobicContact CD1-CD1 3.61Å; L323-I436 HydrophobicContact CD2-CD1 3.78Å; L323-I436 HydrophobicContact CG-CD1 4.28Å; Y335-I436 HydrophobicContact CD1-CD1 4.25Å; Y335-I436 HydrophobicContact CE1-CD1 3.5Å; Y335-I436 HydrophobicContact CE1-CG1 3.98Å; Y335-I436 HydrophobicContact CE2-CD1 4.41Å; I436-M438 HydrophobicContact CG2-CB 4.41Å; I436-Y450 HydrophobicContact CD1-CD2 4.29Å; I436-Y450 HydrophobicContact CG2-CD2 4.35Å; I436-Y450 HydrophobicContact CG2-CG 4.48Å; I436-I451 WeakPolarHBondContact CA-O 3.39Å; I436-V452 HydrophobicContact CD1-CG2 4.09Å; I436-V452 HydrophobicContact CG1-CG2 4.02Å
437V92.1Very high81.8Confident0 Ų053 Ų530%027%0.271CS..EExtended strand (participates in β ladder)trans-111.4128.6157.659.90000108.6A288 I299 Q300 W301 T418 Y450 I451 I453A288-V437 HydrophobicContact CB-CG1 3.78Å; A288-V437 HydrophobicContact CB-CG2 4.31Å; I299-V437 HydrophobicContact CG2-CG2 4Å; Q300-V437 WeakPolarHBondContact O-CA 3.38Å; W301-V437 HydrophobicContact CD2-CB 3.89Å; W301-V437 HydrophobicContact CD2-CG2 4.03Å; W301-V437 HydrophobicContact CE3-CB 3.74Å; W301-V437 HydrophobicContact CE3-CG2 4.39Å; W301-V437 HydrophobicContact CG-CG2 4.48Å; W301-V437 HydrophobicContact CH2-CB 3.95Å; W301-V437 HydrophobicContact CH2-CG1 4.08Å; W301-V437 HydrophobicContact CH2-CG2 4.43Å; W301-V437 HydrophobicContact CZ2-CB 4.11Å; W301-V437 HydrophobicContact CZ2-CG1 4.49Å; W301-V437 HydrophobicContact CZ2-CG2 4.09Å; W301-V437 HydrophobicContact CZ3-CB 3.78Å; W301-V437 HydrophobicContact CZ3-CG1 4.16Å; T418-V437 HydrophobicContact CG2-CG2 4.37Å; V437-Y450 WeakPolarHBondContact O-CA 3.02Å; V437-I451 HydrophobicContact CG1-CG2 3.37Å; V437-I451 PolarHBondContact N-O 3.01Å; V437-I451 PolarHBondContact O-N 2.72Å; V437-I453 HydrophobicContact CG1-CD1 4.21Å
438M89.9Confident81.4Confident4 Ų451.2 Ų51.22%0.0226%0.261CS..EExtended strand (participates in β ladder)trans-117.8142.2-175.4179.9-175.3-68.300108.6I299 Q300 L302 L323 P324 I436 M440 L448 E449I299-M438 WeakPolarHBondContact CA-O 3.08Å; Q300-M438 PolarHBondContact N-O 3.09Å; Q300-M438 PolarHBondContact O-N 3.3Å; L302-M438 HydrophobicContact CD1-CE 3.84Å; L323-M438 HydrophobicContact CD2-CE 3.73Å; P324-M438 HydrophobicContact CG-CE 3.98Å; P324-M438 HydrophobicContact CG-SD 4.32Å; I436-M438 HydrophobicContact CG2-CB 4.41Å; M438-M440 HydrophobicContact SD-CE 4.11Å; M438-L448 HydrophobicContact CE-CD2 4.33Å; M438-L448 HydrophobicContact CG-CD1 4.4Å; M438-L448 HydrophobicContact CG-CD2 3.87Å; M438-L448 HydrophobicContact CG-CG 4.1Å; M438-L448 HydrophobicContact SD-CD1 3.92Å; M438-L448 HydrophobicContact SD-CD2 4.1Å; M438-L448 HydrophobicContact SD-CG 4.26Å; M438-E449 CarbonylContact C-O 3.55Å; M438-E449 WeakPolarHBondContact CA-O 3.34Å
439T89.8Confident81.4Confident0 Ų049.4 Ų49.40%025%0.254CS..EExtended strand (participates in β ladder)trans-139.4144.9174.3-168.60000112P267 I269 I290 V298 L448 E449P267-T439 HydrophobicContact CB-CG2 3.79Å; P267-T439 WeakPolarHBondContact CB-OG1 3.4Å; P267-T439 HydrophobicContact CG-CG2 3.87Å; P267-T439 WeakPolarHBondContact CG-OG1 3.47Å; I269-T439 HydrophobicContact CD1-CG2 4.13Å; I269-T439 HydrophobicContact CG1-CG2 3.71Å; I290-T439 HydrophobicContact CG1-CG2 4.37Å; I290-T439 HydrophobicContact CG2-CG2 4.07Å; V298-T439 CarbonylContact O-C 3.57Å; V298-T439 WeakPolarHBondContact O-CA 3.03Å; V298-T439 PolarHBondContact O-OG1 2.85Å; V298-T439 VanDerWaalsContact O-OG1 3.06Å; T439-L448 WeakPolarHBondContact O-CA 3.13Å; T439-E449 HydrophobicContact CG2-CB 4.25Å; T439-E449 PolarHBondContact N-O 2.72Å; T439-E449 PolarHBondContact O-N 2.88Å
440M83.4Confident81.7Confident33 Ų3344.4 Ų44.416%0.16323%0.23CC..EExtended strand (participates in β ladder)trans-148.5156.7178.168-177.584.200111.4V298 M438 V445 L448V298-M440 HydrophobicContact CB-CG 3.76Å; V298-M440 HydrophobicContact CG1-CG 4.12Å; V298-M440 HydrophobicContact CG2-CG 4.49Å; V298-M440 PolarHBondContact N-O 2.83Å; V298-M440 PolarHBondContact O-N 2.88Å; M438-M440 HydrophobicContact SD-CE 4.11Å; M440-V445 HydrophobicContact SD-CG1 4.14Å; M440-L448 HydrophobicContact CB-CB 4.26Å; M440-L448 HydrophobicContact CB-CD1 4.49Å; M440-L448 HydrophobicContact CB-CG 4.26Å; M440-L448 HydrophobicContact CE-CD1 3.65Å; M440-L448 HydrophobicContact CE-CG 4.43Å; M440-L448 HydrophobicContact SD-CD1 4.45Å
441S79.1Confident81.8Confident0 Ų042.2 Ų42.20%022%0.223CC..EExtended strand (participates in β ladder)trans-88133176.2-163.30000111.2A265 S443 D444 V445A265-S441 WeakPolarHBondContact O-CB 3.35Å; A265-S441 PolarHBondContact O-OG 3.47Å; S441-S443 PolarHBondContact O-N 3.44Å; S441-S443 PolarHBondContact OG-OG 3.18Å; S441-D444 CarbonylContact O-C 3.54Å; S441-D444 PolarHBondContact O-N 2.77Å; S441-D444 VanDerWaalsContact O-N 3.17Å; S441-V445 PolarHBondContact O-N 2.78Å
442L71.8Confident81.8Confident118 Ų11843.2 Ų43.262%0.61823%0.23SC*.THydrogen-bonded Turntrans-62.8-27.2170.3-71.8175.4000112.4V298V298-L442 HydrophobicContact CG2-CD2 3.55Å; V298-L442 HydrophobicContact CG2-CG 3.87Å
443S64.9Low81.9Confident95 Ų9540.9 Ų40.966%0.66422%0.219SC*.THydrogen-bonded Turntrans-82.8-18.9175.342.90000114.3S441S441-S443 PolarHBondContact O-N 3.44Å; S441-S443 PolarHBondContact OG-OG 3.18Å
444D65.4Low81.9Confident70 Ų7045.3 Ų45.337%0.37423%0.231SC..EExtended strand (participates in β ladder)trans-148.891173-177.25.6000110.8S441 K446 S447S441-D444 CarbonylContact O-C 3.54Å; S441-D444 PolarHBondContact O-N 2.77Å; S441-D444 VanDerWaalsContact O-N 3.17Å; D444-K446 PolarHBondContact O-N 2.88Å; D444-K446 WeakPolarHBondContact OD1-CA 3.4Å; D444-K446 VanDerWaalsContact OD1-CB 3.3Å; D444-K446 WeakPolarHBondContact OD1-CB 3.3Å; D444-K446 PolarHBondContact OD1-N 3.05Å; D444-S447 WeakPolarHBondContact O-CB 3.4Å; D444-S447 PolarHBondContact O-N 3.43Å; D444-S447 PolarHBondContact O-OG 2.95Å; D444-S447 PolarHBondContact OD1-N 2.91Å; D444-S447 WeakPolarHBondContact OD2-CB 3.33Å
445V65.4Low82Confident95 Ų9545.1 Ų45.158%0.57623%0.231SC*.EExtended strand (participates in β ladder)trans-67.2-16.4179.1-174.20000112.2M440 S441 S447M440-V445 HydrophobicContact SD-CG1 4.14Å; S441-V445 PolarHBondContact O-N 2.78Å; V445-S447 VanDerWaalsContact C-N 3.32Å
446K64.5Low81.9Confident187 Ų18748.2 Ų48.281%0.81325%0.247SC*.EExtended strand (participates in β ladder)trans-77-23.9172.5-58.6179.31791780111.6D444 L448D444-K446 PolarHBondContact O-N 2.88Å; D444-K446 WeakPolarHBondContact OD1-CA 3.4Å; D444-K446 VanDerWaalsContact OD1-CB 3.3Å; D444-K446 WeakPolarHBondContact OD1-CB 3.3Å; D444-K446 PolarHBondContact OD1-N 3.05Å; K446-L448 PolarHBondContact O-N 3.06Å
447S65.1Low81.8Confident17 Ų1748.4 Ų48.412%0.11925%0.248CC..EExtended strand (participates in β ladder)trans-82.364178.177.80000111.9T266 D444 V445T266-S447 WeakPolarHBondContact OG1-CB 3.23Å; T266-S447 PolarHBondContact OG1-OG 2.81Å; T266-S447 VanDerWaalsContact OG1-OG 3.11Å; D444-S447 WeakPolarHBondContact O-CB 3.4Å; D444-S447 PolarHBondContact O-N 3.43Å; D444-S447 PolarHBondContact O-OG 2.95Å; D444-S447 PolarHBondContact OD1-N 2.91Å; D444-S447 WeakPolarHBondContact OD2-CB 3.33Å; V445-S447 VanDerWaalsContact C-N 3.32Å
448L76.7Confident81.5Confident37 Ų3751.7 Ų51.719%0.19427%0.268CS..EExtended strand (participates in β ladder)trans-101.1124.5-177.4-172.3156000110.5P324 M438 T439 M440 K446 Y450P324-L448 HydrophobicContact CB-CD1 4.15Å; P324-L448 HydrophobicContact CG-CD1 3.38Å; P324-L448 HydrophobicContact CG-CD2 3.96Å; P324-L448 HydrophobicContact CG-CG 4.34Å; M438-L448 HydrophobicContact CE-CD2 4.33Å; M438-L448 HydrophobicContact CG-CD1 4.4Å; M438-L448 HydrophobicContact CG-CD2 3.87Å; M438-L448 HydrophobicContact CG-CG 4.1Å; M438-L448 HydrophobicContact SD-CD1 3.92Å; M438-L448 HydrophobicContact SD-CD2 4.1Å; M438-L448 HydrophobicContact SD-CG 4.26Å; T439-L448 WeakPolarHBondContact O-CA 3.13Å; M440-L448 HydrophobicContact CB-CB 4.26Å; M440-L448 HydrophobicContact CB-CD1 4.49Å; M440-L448 HydrophobicContact CB-CG 4.26Å; M440-L448 HydrophobicContact CE-CD1 3.65Å; M440-L448 HydrophobicContact CE-CG 4.43Å; M440-L448 HydrophobicContact SD-CD1 4.45Å; K446-L448 PolarHBondContact O-N 3.06Å; L448-Y450 HydrophobicContact CD2-CD1 3.87Å
449E85.5Confident80.8Confident67 Ų6757.8 Ų57.831%0.31330%0.297SS..EExtended strand (participates in β ladder)trans-118.7141.8177-160.9-179.4111.900110I269 M438 T439I269-E449 WeakPolarHBondContact CB-OE1 3.45Å; I269-E449 HydrophobicContact CD1-CG 4.49Å; I269-E449 HydrophobicContact CG1-CG 4.5Å; I269-E449 WeakPolarHBondContact CG1-OE1 3.21Å; I269-E449 PolarHBondContact N-OE1 2.71Å; M438-E449 CarbonylContact C-O 3.55Å; M438-E449 WeakPolarHBondContact CA-O 3.34Å; T439-E449 HydrophobicContact CG2-CB 4.25Å; T439-E449 PolarHBondContact N-O 2.72Å; T439-E449 PolarHBondContact O-N 2.88Å
450Y89.1Confident79.7Confident45 Ų4560 Ų6018%0.17631%0.309CS..EExtended strand (participates in β ladder)trans-143.7148.8174.665.8-92.5000112.1L323 N325 I436 V437 L448L323-Y450 HydrophobicContact CD1-CE2 4.45Å; N325-Y450 PolarHBondContact O-OH 2.7Å; I436-Y450 HydrophobicContact CD1-CD2 4.29Å; I436-Y450 HydrophobicContact CG2-CD2 4.35Å; I436-Y450 HydrophobicContact CG2-CG 4.48Å; V437-Y450 WeakPolarHBondContact O-CA 3.02Å; L448-Y450 HydrophobicContact CD2-CD1 3.87Å
451I88.7Confident78.7Confident29 Ų2962.9 Ų62.915%0.14933%0.331CS..EExtended strand (participates in β ladder)trans-124.6138.2175.6-162.4173000110I269 V273 I436 V437 I453I269-I451 HydrophobicContact CD1-CB 4.1Å; I269-I451 HydrophobicContact CD1-CG2 3.93Å; I269-I451 HydrophobicContact CG2-CG2 4.05Å; V273-I451 HydrophobicContact CB-CD1 4.49Å; V273-I451 HydrophobicContact CG2-CD1 3.9Å; V273-I451 HydrophobicContact CG2-CG1 3.92Å; I436-I451 WeakPolarHBondContact CA-O 3.39Å; V437-I451 HydrophobicContact CG1-CG2 3.37Å; V437-I451 PolarHBondContact N-O 3.01Å; V437-I451 PolarHBondContact O-N 2.72Å; I451-I453 HydrophobicContact CG2-CD1 4.35Å; I451-I453 HydrophobicContact CG2-CG1 4.43Å
452V89.2Confident77.7Confident23 Ų2365.8 Ų65.814%0.13936%0.355CS..EExtended strand (participates in β ladder)trans-88136.4176177.70000109.6V273 K434 I436 Y454V273-V452 WeakPolarHBondContact CG1-O 3.34Å; K434-V452 HydrophobicContact CD-CG1 4.13Å; K434-V452 VanDerWaalsContact CE-CG1 3.49Å; K434-V452 HydrophobicContact CG-CG1 3.72Å; I436-V452 HydrophobicContact CD1-CG2 4.09Å; I436-V452 HydrophobicContact CG1-CG2 4.02Å; V452-Y454 HydrophobicContact CG1-CD2 3.99Å; V452-Y454 HydrophobicContact CG1-CE2 3.45Å; V452-Y454 VanDerWaalsContact CG1-CE2 3.45Å
453I91.4Very high76.9Confident11 Ų1166.6 Ų66.66%0.05635%0.354CS..EExtended strand (participates in β ladder)trans-132.4116.5178.9-64.3173.3000107.7Y276 V286 W301 Y435 V437 I451 V455Y276-I453 HydrophobicContact CD2-CG2 3.72Å; Y276-I453 HydrophobicContact CE2-CG2 4.05Å; V286-I453 HydrophobicContact CG1-CD1 3.9Å; V286-I453 HydrophobicContact CG1-CG2 4.23Å; W301-I453 HydrophobicContact CH2-CD1 4.18Å; W301-I453 HydrophobicContact CZ3-CD1 3.97Å; Y435-I453 WeakPolarHBondContact CA-O 3.38Å; Y435-I453 WeakPolarHBondContact CB-O 3.47Å; Y435-I453 PolarHBondContact N-O 2.9Å; Y435-I453 PolarHBondContact O-N 3.36Å; Y435-I453 VanDerWaalsContact O-O 3.14Å; V437-I453 HydrophobicContact CG1-CD1 4.21Å; I451-I453 HydrophobicContact CG2-CD1 4.35Å; I451-I453 HydrophobicContact CG2-CG1 4.43Å; I453-V455 HydrophobicContact CG2-CG2 4.3Å
454Y92.5Very high76.5Confident111 Ų11165.2 Ų65.244%0.43534%0.339SS..EExtended strand (participates in β ladder)trans-89.3135.8172.5-65.6-89000110.4N275 Y276 K434 V452N275-Y454 CarbonylContact C-O 3.48Å; N275-Y454 VanDerWaalsContact CA-O 3.29Å; N275-Y454 WeakPolarHBondContact CA-O 3.37Å; N275-Y454 WeakPolarHBondContact OD1-CD2 3.11Å; N275-Y454 PolarHBondContact OD1-N 2.93Å; Y276-Y454 PolarHBondContact N-O 3.18Å; K434-Y454 HydrophobicContact CB-CD1 4.03Å; K434-Y454 HydrophobicContact CB-CE1 3.73Å; K434-Y454 HydrophobicContact CD-CE1 3.99Å; K434-Y454 HydrophobicContact CG-CD1 4.24Å; K434-Y454 HydrophobicContact CG-CE1 3.7Å; V452-Y454 HydrophobicContact CG1-CD2 3.99Å; V452-Y454 HydrophobicContact CG1-CE2 3.45Å; V452-Y454 VanDerWaalsContact CG1-CE2 3.45Å
455V92.6Very high76.1Confident5 Ų569.5 Ų69.53%0.0335%0.354CS..EExtended strand (participates in β ladder)trans-118.1127.1178.3-179.80000109Y276 F278 V286 F422 E432 G433 Y435 I453 I457Y276-V455 WeakPolarHBondContact O-CA 3.26Å; F278-V455 HydrophobicContact CD2-CG1 3.83Å; F278-V455 HydrophobicContact CE2-CG1 3.9Å; V286-V455 HydrophobicContact CG2-CG2 4.49Å; F422-V455 HydrophobicContact CE1-CG1 4.16Å; F422-V455 HydrophobicContact CE1-CG2 4.49Å; F422-V455 HydrophobicContact CZ-CG1 4.25Å; F422-V455 HydrophobicContact CZ-CG2 3.94Å; E432-V455 WeakPolarHBondContact CA-O 3.32Å; E432-V455 WeakPolarHBondContact CG-O 3.42Å; G433-V455 PolarHBondContact N-O 3.35Å; G433-V455 PolarHBondContact O-N 2.9Å; Y435-V455 HydrophobicContact CD2-CB 3.99Å; Y435-V455 HydrophobicContact CD2-CG2 3.66Å; Y435-V455 HydrophobicContact CE2-CB 4.05Å; Y435-V455 HydrophobicContact CE2-CG2 4.1Å; Y435-V455 HydrophobicContact CG-CG2 4.31Å; I453-V455 HydrophobicContact CG2-CG2 4.3Å; V455-I457 HydrophobicContact CG1-CD1 4.16Å
456N91.1Very high75.9Confident65 Ų6567.1 Ų67.135%0.34835%0.349SS..EExtended strand (participates in β ladder)trans-118138.6178.8-176.3-24.1000109.7Y276 T277 F278Y276-N456 PolarHBondContact O-N 2.84Å; T277-N456 WeakPolarHBondContact CA-O 3.21Å; T277-N456 HydrophobicContact CG2-CB 4.34Å; F278-N456 PolarHBondContact N-O 2.9Å
457I89.3Confident75.9Confident5 Ų566.2 Ų66.23%0.02634%0.341CS..EExtended strand (participates in β ladder)trans-115.9112.8-180-52.3-61.6000109.8F278 L426 K428 H431 E432 V455F278-I457 HydrophobicContact CB-CD1 4.23Å; F278-I457 HydrophobicContact CD2-CD1 4.35Å; F278-I457 WeakPolarHBondContact O-CA 3.2Å; L426-I457 HydrophobicContact CB-CG2 4.35Å; L426-I457 WeakPolarHBondContact O-CG2 3.36Å; K428-I457 HydrophobicContact CB-CB 4.21Å; K428-I457 HydrophobicContact CB-CG2 4.42Å; K428-I457 HydrophobicContact CG-CB 4.37Å; H431-I457 HydrophobicContact CB-CD1 4.12Å; H431-I457 HydrophobicContact CB-CG1 4.13Å; E432-I457 HydrophobicContact CB-CG1 4.33Å; V455-I457 HydrophobicContact CG1-CD1 4.16Å
458V86.2Confident76Confident69 Ų6972.5 Ų72.542%0.41836%0.362SS..EExtended strand (participates in β ladder)trans-101.8125.4-179.8176.30000110.1T277 F278 K279 T280T277-V458 HydrophobicContact CG2-CB 4.42Å; T277-V458 HydrophobicContact CG2-CG2 3.56Å; F278-V458 PolarHBondContact O-N 3.28Å; K279-V458 VanDerWaalsContact CA-O 3.24Å; K279-V458 WeakPolarHBondContact CA-O 3.38Å; T280-V458 PolarHBondContact N-O 2.85Å
459Q75.2Confident75.6Confident132 Ų13274 Ų7462%0.61737%0.372SS*.  trans-74133.1175-169.6173.938.300110.6S461Q459-S461 PolarHBondContact O-N 2.86Å
460D67.5Low74.9Confident47 Ų4775.7 Ų75.725%0.25138%0.383SS..  trans-72103.4178.6-159.6-32.7000111.3K279 A462 F463K279-D460 IonicContact NZ-OD2 2.75Å; K279-D460 PolarHBondContact NZ-OD2 3.21Å; D460-A462 PolarHBondContact O-N 3.32Å; D460-A462 WeakPolarHBondContact OD1-CB 3.41Å; D460-A462 PolarHBondContact OD1-N 2.95Å; D460-F463 PolarHBondContact O-N 3.31Å
461S60.8Low74.3Confident92 Ų9278 Ų7864%0.64340%0.398SS*.Hα-helixtrans-59.4-22.3177.669.30000113.8Q459 K465Q459-S461 PolarHBondContact O-N 2.86Å; S461-K465 WeakPolarHBondContact O-CB 3.37Å; S461-K465 PolarHBondContact O-N 2.93Å
462A59.4Low73.9Confident61 Ų6184.8 Ų84.850%0.50442%0.422SS..Hα-helixtrans-64.7-41.5178.600000111.9D460 L464 K465 G466D460-A462 PolarHBondContact O-N 3.32Å; D460-A462 WeakPolarHBondContact OD1-CB 3.41Å; D460-A462 PolarHBondContact OD1-N 2.95Å; A462-L464 PolarHBondContact O-N 3.02Å; A462-K465 PolarHBondContact O-N 3.05Å; A462-G466 PolarHBondContact O-N 3.41Å
463F54.9Low73.6Confident136 Ų13691 Ų9160%0.59645%0.448SS*.Hα-helixtrans-63.9-43.7-178.9-168.6-98.1000111.7D460 R467D460-F463 PolarHBondContact O-N 3.31Å; F463-R467 WeakPolarHBondContact O-CB 3.15Å; F463-R467 PolarHBondContact O-N 3.11Å; F463-R467 VanDerWaalsContact O-N 3.17Å
464L55.7Low73.4Confident66 Ų6695.4 Ų95.435%0.34647%0.471SS..Hα-helixtrans-66.2-36.5174.8-77.2170.2000112.4A462 R468A462-L464 PolarHBondContact O-N 3.02Å; L464-R468 WeakPolarHBondContact O-CB 3.16Å; L464-R468 WeakPolarHBondContact O-CD 3.27Å; L464-R468 WeakPolarHBondContact O-CG 3.46Å; L464-R468 PolarHBondContact O-N 2.73Å
465K58.4Low73.2Confident159 Ų15994 Ų9469%0.69147%0.474SS*.Hα-helixtrans-69.7-49.1179.6-156170-173176.60111.4S461 A462 R468 V469S461-K465 WeakPolarHBondContact O-CB 3.37Å; S461-K465 PolarHBondContact O-N 2.93Å; A462-K465 PolarHBondContact O-N 3.05Å; K465-R468 PolarHBondContact O-N 2.89Å; K465-V469 WeakPolarHBondContact O-CB 3.35Å; K465-V469 VanDerWaalsContact O-CG2 3.25Å; K465-V469 WeakPolarHBondContact O-CG2 3.32Å; K465-V469 PolarHBondContact O-N 2.92Å
466G60.4Low72.9Confident45 Ų4597.3 Ų97.346%0.46450%0.495SS..Hα-helixtrans-59.9-49.2178.400000113A462 R468 V469 L470A462-G466 PolarHBondContact O-N 3.41Å; G466-R468 PolarHBondContact O-N 3.39Å; G466-V469 PolarHBondContact O-N 3.34Å; G466-L470 PolarHBondContact O-N 3.23Å
467R64.4Low72.9Confident169 Ų169100 Ų10064%0.63850%0.504SS*.Hα-helixtrans-67.3-33.9-178-163.6171.9-176.1175.61113F463 I471F463-R467 WeakPolarHBondContact O-CB 3.15Å; F463-R467 PolarHBondContact O-N 3.11Å; F463-R467 VanDerWaalsContact O-N 3.17Å; R467-I471 WeakPolarHBondContact O-CD1 3.07Å; R467-I471 WeakPolarHBondContact O-CG1 3.43Å; R467-I471 PolarHBondContact O-N 3.24Å
468R67.2Low72.9Confident148 Ų148101.5 Ų101.556%0.55852%0.521SS*.Hα-helixtrans-70.7-44.3173.4-72.3176.6-174.4-167.63.2112L464 K465 G466 L470 I471 Y472L464-R468 WeakPolarHBondContact O-CB 3.16Å; L464-R468 WeakPolarHBondContact O-CD 3.27Å; L464-R468 WeakPolarHBondContact O-CG 3.46Å; L464-R468 PolarHBondContact O-N 2.73Å; K465-R468 PolarHBondContact O-N 2.89Å; G466-R468 PolarHBondContact O-N 3.39Å; R468-L470 VanDerWaalsContact C-N 3.3Å; R468-L470 PolarHBondContact O-N 2.91Å; R468-I471 PolarHBondContact O-N 2.86Å; R468-I471 VanDerWaalsContact O-N 3.14Å; R468-Y472 HydrophobicContact CB-CD2 4.42Å; R468-Y472 HydrophobicContact CB-CE2 4.17Å; R468-Y472 WeakPolarHBondContact O-CD2 3.31Å; R468-Y472 PolarHBondContact O-N 3.38Å
469V68.4Low73.2Confident69 Ų69103.2 Ų103.242%0.41853%0.527SS..Hα-helixtrans-57.5-43.3176.7167.60000111.2K465 G466 I471 Y472 F473K465-V469 WeakPolarHBondContact O-CB 3.35Å; K465-V469 VanDerWaalsContact O-CG2 3.25Å; K465-V469 WeakPolarHBondContact O-CG2 3.32Å; K465-V469 PolarHBondContact O-N 2.92Å; G466-V469 PolarHBondContact O-N 3.34Å; V469-I471 VanDerWaalsContact C-N 3.32Å; V469-I471 PolarHBondContact O-N 3.38Å; V469-Y472 PolarHBondContact O-N 2.86Å; V469-F473 HydrophobicContact CG1-CD2 3.82Å; V469-F473 HydrophobicContact CG1-CE2 3.8Å; V469-F473 WeakPolarHBondContact O-CD2 3.21Å; V469-F473 PolarHBondContact O-N 3.29Å; V469-F473 VanDerWaalsContact O-N 3.12Å
470L70.3Confident74.1Confident103 Ų103101.5 Ų101.554%0.53952%0.522SS..Hα-helixtrans-58.4-42.7176.4-167.874.2000112.4G466 R468 F473 L474G466-L470 PolarHBondContact O-N 3.23Å; R468-L470 VanDerWaalsContact C-N 3.3Å; R468-L470 PolarHBondContact O-N 2.91Å; L470-F473 PolarHBondContact O-N 2.93Å; L470-L474 HydrophobicContact CD1-CD1 4.08Å; L470-L474 HydrophobicContact CD1-CG 4.34Å; L470-L474 HydrophobicContact CD2-CD1 4.15Å; L470-L474 HydrophobicContact CG-CD1 3.74Å; L470-L474 HydrophobicContact CG-CG 4.23Å; L470-L474 WeakPolarHBondContact O-CB 3.46Å; L470-L474 WeakPolarHBondContact O-CG 3.44Å; L470-L474 PolarHBondContact O-N 2.78Å
471I77.6Confident75.3Confident94 Ų94103.6 Ų103.648%0.48253%0.533SS..Hα-helixtrans-65.1-43.2177.3-66.6165.8000111R467 R468 V469 F473 L474 V475R467-I471 WeakPolarHBondContact O-CD1 3.07Å; R467-I471 WeakPolarHBondContact O-CG1 3.43Å; R467-I471 PolarHBondContact O-N 3.24Å; R468-I471 PolarHBondContact O-N 2.86Å; R468-I471 VanDerWaalsContact O-N 3.14Å; V469-I471 VanDerWaalsContact C-N 3.32Å; V469-I471 PolarHBondContact O-N 3.38Å; I471-F473 PolarHBondContact O-N 3.23Å; I471-L474 PolarHBondContact O-N 3.36Å; I471-V475 HydrophobicContact CG2-CG2 3.94Å; I471-V475 WeakPolarHBondContact O-CB 3.46Å; I471-V475 WeakPolarHBondContact O-CG2 3.46Å; I471-V475 PolarHBondContact O-N 3.01Å
472Y79.9Confident76.8Confident171 Ų171101.8 Ų101.867%0.67152%0.523SS*.Hα-helixtrans-65.6-22.4178.4-72.7-60.1000114.1R468 V469 P476R468-Y472 HydrophobicContact CB-CD2 4.42Å; R468-Y472 HydrophobicContact CB-CE2 4.17Å; R468-Y472 WeakPolarHBondContact O-CD2 3.31Å; R468-Y472 PolarHBondContact O-N 3.38Å; V469-Y472 PolarHBondContact O-N 2.86Å; Y472-P476 WeakPolarHBondContact O-CD 3.2Å; Y472-P476 VanDerWaalsContact O-CG 3.26Å; Y472-P476 WeakPolarHBondContact O-CG 3.4Å
473F82.8Confident78.4Confident154 Ų154103.4 Ų103.468%0.67552%0.522SS*.Hα-helixtrans-90.1-47170.8-78.5-69.4000112.9V469 L470 I471 F477V469-F473 HydrophobicContact CG1-CD2 3.82Å; V469-F473 HydrophobicContact CG1-CE2 3.8Å; V469-F473 WeakPolarHBondContact O-CD2 3.21Å; V469-F473 PolarHBondContact O-N 3.29Å; V469-F473 VanDerWaalsContact O-N 3.12Å; L470-F473 PolarHBondContact O-N 2.93Å; I471-F473 PolarHBondContact O-N 3.23Å; F473-F477 VanDerWaalsContact O-CB 3.25Å; F473-F477 WeakPolarHBondContact O-CB 3.26Å; F473-F477 PolarHBondContact O-N 3.21Å
474L86.1Confident80.3Confident103 Ų103101.5 Ų101.554%0.53952%0.518SS..Hα-helixtrans-69.6-36.8-174.2-69.3-178.1000113.5L470 I471 G478L470-L474 HydrophobicContact CD1-CD1 4.08Å; L470-L474 HydrophobicContact CD1-CG 4.34Å; L470-L474 HydrophobicContact CD2-CD1 4.15Å; L470-L474 HydrophobicContact CG-CD1 3.74Å; L470-L474 HydrophobicContact CG-CG 4.23Å; L470-L474 WeakPolarHBondContact O-CB 3.46Å; L470-L474 WeakPolarHBondContact O-CG 3.44Å; L470-L474 PolarHBondContact O-N 2.78Å; I471-L474 PolarHBondContact O-N 3.36Å; L474-G478 PolarHBondContact O-N 2.84Å
475V88.7Confident82Confident81 Ų81100.3 Ų100.349%0.49152%0.521SS..Hα-helixtrans-69.8-49.7-176.9175.50000112I471 F477 G478 L479I471-V475 HydrophobicContact CG2-CG2 3.94Å; I471-V475 WeakPolarHBondContact O-CB 3.46Å; I471-V475 WeakPolarHBondContact O-CG2 3.46Å; I471-V475 PolarHBondContact O-N 3.01Å; V475-F477 VanDerWaalsContact C-N 3.32Å; V475-F477 PolarHBondContact O-N 3.4Å; V475-G478 PolarHBondContact O-N 2.82Å; V475-L479 HydrophobicContact CG1-CD1 4.06Å; V475-L479 WeakPolarHBondContact O-CG 3.4Å; V475-L479 PolarHBondContact O-N 3.41Å
476P87.5Confident83.6Confident74 Ų7498.1 Ų98.148%0.48152%0.517SS..Hα-helixtrans-63.3-36.2174.8-24.237000113Y472 L479 L480Y472-P476 WeakPolarHBondContact O-CD 3.2Å; Y472-P476 VanDerWaalsContact O-CG 3.26Å; Y472-P476 WeakPolarHBondContact O-CG 3.4Å; P476-L479 PolarHBondContact O-N 2.93Å; P476-L480 WeakPolarHBondContact O-CB 3.24Å; P476-L480 PolarHBondContact O-N 2.78Å
477F90.4Very high85Confident122 Ų122100.1 Ų100.154%0.53552%0.515SS..Hα-helixtrans-67.1-42.8177.1-171.3-106.4000112.1F473 V475 L480 L481F473-F477 VanDerWaalsContact O-CB 3.25Å; F473-F477 WeakPolarHBondContact O-CB 3.26Å; F473-F477 PolarHBondContact O-N 3.21Å; V475-F477 VanDerWaalsContact C-N 3.32Å; V475-F477 PolarHBondContact O-N 3.4Å; F477-L480 PolarHBondContact O-N 3.07Å; F477-L481 HydrophobicContact CD1-CD1 3.91Å; F477-L481 HydrophobicContact CE1-CD1 3.58Å; F477-L481 HydrophobicContact CE1-CG 4.3Å; F477-L481 HydrophobicContact CZ-CD1 4.14Å; F477-L481 HydrophobicContact CZ-CG 4.5Å; F477-L481 WeakPolarHBondContact O-CG 3.38Å; F477-L481 PolarHBondContact O-N 3.37Å
478G90.2Very high86.2Confident37 Ų3794.6 Ų94.638%0.38151%0.506SS..Hα-helixtrans-62.7-40.9173.600000113L474 V475 L481 A482L474-G478 PolarHBondContact O-N 2.84Å; V475-G478 PolarHBondContact O-N 2.82Å; G478-L481 PolarHBondContact O-N 3.48Å; G478-A482 WeakPolarHBondContact O-CB 3.39Å; G478-A482 PolarHBondContact O-N 3.07Å
479L92.6Very high87.2Confident105 Ų10593.8 Ų93.855%0.5550%0.504SS..Hα-helixtrans-65.1-41.6174-71.7170.4000112.1V475 P476 A482 I483V475-L479 HydrophobicContact CG1-CD1 4.06Å; V475-L479 WeakPolarHBondContact O-CG 3.4Å; V475-L479 PolarHBondContact O-N 3.41Å; P476-L479 PolarHBondContact O-N 2.93Å; L479-A482 PolarHBondContact O-N 3.3Å; L479-I483 VanDerWaalsContact O-CG1 3.28Å; L479-I483 WeakPolarHBondContact O-CG1 3.21Å; L479-I483 PolarHBondContact O-N 3.11Å
480L92.7Very high88Confident95 Ų9595 Ų9550%0.49751%0.506SS..Hα-helixtrans-59.7-46.8175.2-174.173.8000111.2P476 F477 A482 I483 L484P476-L480 WeakPolarHBondContact O-CB 3.24Å; P476-L480 PolarHBondContact O-N 2.78Å; F477-L480 PolarHBondContact O-N 3.07Å; L480-A482 PolarHBondContact O-N 2.89Å; L480-I483 PolarHBondContact O-N 2.83Å; L480-L484 HydrophobicContact CG-CD1 4.12Å; L480-L484 WeakPolarHBondContact O-CB 3.37Å; L480-L484 VanDerWaalsContact O-CG 3.3Å; L480-L484 WeakPolarHBondContact O-CG 3.27Å; L480-L484 PolarHBondContact O-N 2.88Å
481L93.5Very high88.5Confident92 Ų9296.4 Ų96.448%0.48251%0.508SS..Hα-helixtrans-63.1-39.8176.2-71176.4000112.4F477 G478 L484 G485F477-L481 HydrophobicContact CD1-CD1 3.91Å; F477-L481 HydrophobicContact CE1-CD1 3.58Å; F477-L481 HydrophobicContact CE1-CG 4.3Å; F477-L481 HydrophobicContact CZ-CD1 4.14Å; F477-L481 HydrophobicContact CZ-CG 4.5Å; F477-L481 WeakPolarHBondContact O-CG 3.38Å; F477-L481 PolarHBondContact O-N 3.37Å; G478-L481 PolarHBondContact O-N 3.48Å; L481-L484 PolarHBondContact O-N 3.27Å; L481-G485 PolarHBondContact O-N 2.83Å
482A92.6Very high88.7Confident54 Ų5495.9 Ų95.945%0.44651%0.509SS..Hα-helixtrans-64.3-41.4175.600000112.3G478 L479 L480 G485 L486G478-A482 WeakPolarHBondContact O-CB 3.39Å; G478-A482 PolarHBondContact O-N 3.07Å; L479-A482 PolarHBondContact O-N 3.3Å; L480-A482 PolarHBondContact O-N 2.89Å; A482-G485 PolarHBondContact O-N 3.4Å; A482-L486 WeakPolarHBondContact O-CG 3.33Å; A482-L486 PolarHBondContact O-N 3.3Å
483I93.3Very high88.3Confident95 Ų9593.1 Ų93.149%0.48750%0.501SS..Hα-helixtrans-65.4-45.7176-69.3163.7000110.8L479 L480 G485 L486 I487L479-I483 VanDerWaalsContact O-CG1 3.28Å; L479-I483 WeakPolarHBondContact O-CG1 3.21Å; L479-I483 PolarHBondContact O-N 3.11Å; L480-I483 PolarHBondContact O-N 2.83Å; I483-G485 VanDerWaalsContact C-N 3.32Å; I483-G485 PolarHBondContact O-N 2.85Å; I483-L486 PolarHBondContact O-N 2.91Å; I483-I487 HydrophobicContact CG2-CD1 3.86Å; I483-I487 VanDerWaalsContact O-CG1 3.31Å; I483-I487 WeakPolarHBondContact O-CG1 3.4Å; I483-I487 PolarHBondContact O-N 3.35Å
484L93.3Very high87.4Confident96 Ų9694.7 Ų94.750%0.50350%0.502SS..Hα-helixtrans-61.6-40.3175.5-71.4169.5000111.7L480 L481 I487 A488L480-L484 HydrophobicContact CG-CD1 4.12Å; L480-L484 WeakPolarHBondContact O-CB 3.37Å; L480-L484 VanDerWaalsContact O-CG 3.3Å; L480-L484 WeakPolarHBondContact O-CG 3.27Å; L480-L484 PolarHBondContact O-N 2.88Å; L481-L484 PolarHBondContact O-N 3.27Å; L484-I487 PolarHBondContact O-N 2.87Å; L484-A488 WeakPolarHBondContact O-CB 3.35Å; L484-A488 PolarHBondContact O-N 3.43Å
485G92.3Very high86.1Confident40 Ų40100.2 Ų100.241%0.41252%0.516SS..Hα-helixtrans-61.4-43.8173.600000113L481 A482 I483 A488 Y489L481-G485 PolarHBondContact O-N 2.83Å; A482-G485 PolarHBondContact O-N 3.4Å; I483-G485 VanDerWaalsContact C-N 3.32Å; I483-G485 PolarHBondContact O-N 2.85Å; G485-A488 PolarHBondContact O-N 2.91Å; G485-Y489 VanDerWaalsContact O-CB 3.3Å; G485-Y489 WeakPolarHBondContact O-CB 3.36Å; G485-Y489 PolarHBondContact O-N 3.23Å
486L91.7Very high84.6Confident114 Ų114104.5 Ų104.560%0.59753%0.528SS*.Hα-helixtrans-64.7-39.5175-77.7167.8000112.6A482 I483 M490A482-L486 WeakPolarHBondContact O-CG 3.33Å; A482-L486 PolarHBondContact O-N 3.3Å; I483-L486 PolarHBondContact O-N 2.91Å; L486-M490 WeakPolarHBondContact O-CB 3.48Å; L486-M490 VanDerWaalsContact O-CG 3.26Å; L486-M490 WeakPolarHBondContact O-CG 3.47Å; L486-M490 PolarHBondContact O-N 2.89Å
487I90.6Very high82.6Confident86 Ų86112 Ų11244%0.44155%0.547SS..Hα-helixtrans-64.8-46.5175.4-68165000110.4I483 L484 M490 F491I483-I487 HydrophobicContact CG2-CD1 3.86Å; I483-I487 VanDerWaalsContact O-CG1 3.31Å; I483-I487 WeakPolarHBondContact O-CG1 3.4Å; I483-I487 PolarHBondContact O-N 3.35Å; L484-I487 PolarHBondContact O-N 2.87Å; I487-M490 PolarHBondContact O-N 3.03Å; I487-F491 HydrophobicContact CG2-CD2 4.09Å; I487-F491 HydrophobicContact CG2-CE2 4.3Å; I487-F491 PolarHBondContact O-N 3.46Å
488A88Confident80.6Confident53 Ų53110.8 Ų110.844%0.43856%0.559SS.*Hα-helixtrans-60.9-45.6176.700000111.9L484 G485 M490 F491 V492L484-A488 WeakPolarHBondContact O-CB 3.35Å; L484-A488 PolarHBondContact O-N 3.43Å; G485-A488 PolarHBondContact O-N 2.91Å; A488-M490 PolarHBondContact O-N 3.33Å; A488-F491 PolarHBondContact O-N 2.89Å; A488-V492 WeakPolarHBondContact O-CG2 3.45Å; A488-V492 PolarHBondContact O-N 3.44Å
489Y88.4Confident78.4Confident131 Ų131114.2 Ų114.251%0.51457%0.574SS.*Hα-helixtrans-55.7-49.8173.8-178.7-87.2000111.3G485 F491 V492 F493G485-Y489 VanDerWaalsContact O-CB 3.3Å; G485-Y489 WeakPolarHBondContact O-CB 3.36Å; G485-Y489 PolarHBondContact O-N 3.23Å; Y489-F491 VanDerWaalsContact C-N 3.32Å; Y489-F491 PolarHBondContact O-N 3Å; Y489-V492 PolarHBondContact O-N 2.99Å; Y489-F493 HydrophobicContact CD1-CD2 4.07Å; Y489-F493 AromaticContact CD2-CD2 3.83Å; Y489-F493 HydrophobicContact CD2-CD2 3.83Å; Y489-F493 AromaticContact CD2-CE2 3.65Å; Y489-F493 HydrophobicContact CD2-CE2 3.65Å; Y489-F493 AromaticContact CE1-CD2 3.89Å; Y489-F493 HydrophobicContact CE1-CD2 3.89Å; Y489-F493 HydrophobicContact CE1-CE2 4.28Å; Y489-F493 HydrophobicContact CE1-CG 4.27Å; Y489-F493 AromaticContact CE2-CD2 3.65Å; Y489-F493 HydrophobicContact CE2-CD2 3.65Å; Y489-F493 AromaticContact CE2-CE2 3.23Å; Y489-F493 HydrophobicContact CE2-CE2 3.23Å; Y489-F493 AromaticContact CE2-CZ 3.9Å; Y489-F493 HydrophobicContact CE2-CZ 3.9Å; Y489-F493 HydrophobicContact CG-CD2 4.03Å; Y489-F493 HydrophobicContact CG-CE2 4.33Å; Y489-F493 AromaticContact CZ-CD2 3.67Å; Y489-F493 AromaticContact CZ-CE2 3.59Å; Y489-F493 WeakPolarHBondContact O-CD2 3.39Å; Y489-F493 PolarHBondContact O-N 3.48Å
490M85.6Confident76Confident95 Ų95116.8 Ų116.847%0.46859%0.589SS.*Hα-helixtrans-60.9-37.8178.6-75.8-72.4-11200112.8L486 I487 A488 R494L486-M490 WeakPolarHBondContact O-CB 3.48Å; L486-M490 VanDerWaalsContact O-CG 3.26Å; L486-M490 WeakPolarHBondContact O-CG 3.47Å; L486-M490 PolarHBondContact O-N 2.89Å; I487-M490 PolarHBondContact O-N 3.03Å; A488-M490 PolarHBondContact O-N 3.33Å; M490-R494 WeakPolarHBondContact O-CB 3.43Å; M490-R494 WeakPolarHBondContact O-CG 3.48Å; M490-R494 PolarHBondContact O-N 3Å
491F82.1Confident73.3Confident133 Ų133120.8 Ų120.858%0.58360%0.604SS**Hα-helixtrans-67.7-44174.4-96.8-84000113I487 A488 Y489 R495I487-F491 HydrophobicContact CG2-CD2 4.09Å; I487-F491 HydrophobicContact CG2-CE2 4.3Å; I487-F491 PolarHBondContact O-N 3.46Å; A488-F491 PolarHBondContact O-N 2.89Å; Y489-F491 VanDerWaalsContact C-N 3.32Å; Y489-F491 PolarHBondContact O-N 3Å; F491-R495 PolarHBondContact O-N 3.07Å; F491-R495 VanDerWaalsContact O-N 3.1Å
492V80.1Confident70.8Confident82 Ų82123.6 Ų123.650%0.49762%0.619SS.*Hα-helixtrans-64.5-44.7179.2171.30000111.3A488 Y489A488-V492 WeakPolarHBondContact O-CG2 3.45Å; A488-V492 PolarHBondContact O-N 3.44Å; Y489-V492 PolarHBondContact O-N 2.99Å
493F72.1Confident68.2Low113 Ų113128 Ų12850%0.49663%0.634SS.*Hα-helixtrans-75.4-34-179.4-82.2-93.5000113.1Y489 R495 K496Y489-F493 HydrophobicContact CD1-CD2 4.07Å; Y489-F493 AromaticContact CD2-CD2 3.83Å; Y489-F493 HydrophobicContact CD2-CD2 3.83Å; Y489-F493 AromaticContact CD2-CE2 3.65Å; Y489-F493 HydrophobicContact CD2-CE2 3.65Å; Y489-F493 AromaticContact CE1-CD2 3.89Å; Y489-F493 HydrophobicContact CE1-CD2 3.89Å; Y489-F493 HydrophobicContact CE1-CE2 4.28Å; Y489-F493 HydrophobicContact CE1-CG 4.27Å; Y489-F493 AromaticContact CE2-CD2 3.65Å; Y489-F493 HydrophobicContact CE2-CD2 3.65Å; Y489-F493 AromaticContact CE2-CE2 3.23Å; Y489-F493 HydrophobicContact CE2-CE2 3.23Å; Y489-F493 AromaticContact CE2-CZ 3.9Å; Y489-F493 HydrophobicContact CE2-CZ 3.9Å; Y489-F493 HydrophobicContact CG-CD2 4.03Å; Y489-F493 HydrophobicContact CG-CE2 4.33Å; Y489-F493 AromaticContact CZ-CD2 3.67Å; Y489-F493 AromaticContact CZ-CE2 3.59Å; Y489-F493 WeakPolarHBondContact O-CD2 3.39Å; Y489-F493 PolarHBondContact O-N 3.48Å; F493-R495 VanDerWaalsContact C-N 3.35Å; F493-R495 PolarHBondContact O-N 3.11Å; F493-K496 PolarHBondContact O-N 3.01Å
494R64.1Low65.5Low187 Ų187128.8 Ų128.871%0.70665%0.647SS**Hα-helixtrans-67.1-32.6172.7-74.2176.1176.6-168.1-2.6112.7M490 K496M490-R494 WeakPolarHBondContact O-CB 3.43Å; M490-R494 WeakPolarHBondContact O-CG 3.48Å; M490-R494 PolarHBondContact O-N 3Å; R494-K496 VanDerWaalsContact C-N 3.25Å; R494-K496 PolarHBondContact O-N 3.26Å
495R59.2Low62.9Low220 Ų220129.5 Ų129.583%0.8366%0.66SS**THydrogen-bonded Turntrans-72.7-9.6173.3-81.2-174.3169178.5-2.7114.9F491 F493F491-R495 PolarHBondContact O-N 3.07Å; F491-R495 VanDerWaalsContact O-N 3.1Å; F493-R495 VanDerWaalsContact C-N 3.35Å; F493-R495 PolarHBondContact O-N 3.11Å
496K55.8Low60.7Low170 Ų170132 Ų13274%0.73967%0.672SS**THydrogen-bonded Turntrans-100.613.3177.7-77.5-168.9172.8-174.40114.9F493 R494F493-K496 PolarHBondContact O-N 3.01Å; R494-K496 VanDerWaalsContact C-N 3.25Å; R494-K496 PolarHBondContact O-N 3.26Å
497R46.7Very low58.6Low233 Ų233133.5 Ų133.588%0.87968%0.681SS**  trans-127.886.5172.8-83.8-174170.2166.7-2.4113.2
498A47.4Very low56.4Low95 Ų95138.2 Ų138.279%0.78570%0.701SS**  trans-122.3134.6142.300000106
499P44.5Very low54.2Low110 Ų110147.1 Ų147.171%0.71472%0.723SS**  -146.5155.199.738.2-23000115.8
500N42.6Very low51.9Low158 Ų158146.1 Ų146.185%0.84573%0.734SS**  trans54.8130.4140.9-55.7-3.8000121.6
501H36.3Very low49.6Very low179 Ų179148.7 Ų148.783%0.82975%0.748SS**  trans-59.6155.9162.8-74.1-124.1000112.4
502L39.8Very low47.4Very low152 Ų152149.7 Ų149.780%0.79676%0.758SS**  -176141.6109.8-92157000111.4
503I38.1Very low45.2Very low146 Ų146156.6 Ų156.675%0.74978%0.776SS**  trans46.7102.8149.2-61.4169.8000116.6
504S36.5Very low43.4Very low111 Ų111157.4 Ų157.478%0.77679%0.79SS**  66.4111.764.4-169.90000115.3
505S39.7Very low42Very low111 Ų111152.7 Ų152.778%0.77679%0.791SS**  158136.6127.9-171.40000113.3
506S44.7Very low40.6Very low93 Ų93150.7 Ų150.765%0.6579%0.791SS**  trans67.6143.2160.2-145.10000120.4
507N48Very low39.6Very low146 Ų146149.6 Ų149.678%0.78179%0.792SS**  trans68.5119.1169.1-40.5-22.4000114.4
508E45.5Very low38.9Very low185 Ų185143.8 Ų143.886%0.86479%0.787SS**  cis-137.1138.5-1.1-57178.7118.600107.3
509R40.9Very low38.9Very low240 Ų240144 Ų14491%0.90678%0.781SS**  78.5134.961.2-112-177.7-175.5176.92115.4
510C40Very low38.4Very low109 Ų109148.4 Ų148.474%0.73679%0.789SS**  trans71.1122.2-176.5-62.30000116.4
511I38.2Very low37.9Very low149 Ų149144.3 Ų144.376%0.76478%0.777SS**  cis78.2125.441.5-57.5166.8000109.6
512L36.4Very low37.8Very low154 Ų154145.5 Ų145.581%0.80678%0.775SS**  cis-143.9173.823.1-131.9151.2000112.8
513R32.2Very low37.7Very low228 Ų228144.7 Ų144.786%0.8677%0.772SS**  trans-86135.8159.3-64172.1173.2141.5-6.8110.5
514T35.5Very low37.6Very low130 Ų130144 Ų14480%0.79877%0.774SS**  trans-176130.815029.30000106.1
515A33.7Very low37.8Very low87 Ų87146 Ų14672%0.71978%0.775SS**  66.9113.464.800000112.8
516E31.3Very low38.2Very low179 Ų179145.3 Ų145.384%0.83677%0.768SS**  trans66.8137.2160.3-61.7-168.9162.400122.1
517L34.2Very low38Very low147 Ų147148.7 Ų148.777%0.7778%0.778SS**  trans55.4120.7145-91.276.9000122.8
518S32.3Very low37.6Very low111 Ų111144.8 Ų144.878%0.77677%0.773SS**  trans79.7166.1130.6-930000119.6
519P45.9Very low37.2Very low99 Ų99145.8 Ų145.864%0.64377%0.774SS**  trans-135.8-172.4-13345.2-28.6000115.9
520K35.2Very low37.2Very low202 Ų202143.1 Ų143.188%0.87877%0.769SS**  trans71.9153165-69.5171.7-177.6176.10114.2
521A32Very low37.2Very low72 Ų72142.4 Ų142.460%0.59577%0.765SS**  cis-163.1-166.3-10.700000109.7
522Y34.5Very low37.4Very low204 Ų204140.4 Ų140.480%0.877%0.765SS**  trans109.1128.6152.4-63.1-74.6000119.9
523N36.7Very low37.8Very low136 Ų136137.6 Ų137.673%0.72776%0.758SS**  trans61.6110.6148.9-51.9-14.8000118.3
524V35.5Very low38.1Very low132 Ų132134 Ų13480%0.876%0.755SS**  cis85.6150.630.8-167.60000113.8
525I41.1Very low38Very low153 Ų153133.7 Ų133.779%0.78575%0.748SS**  trans93.2134.9170.6-57.3-175.4000115.3
526P48Very low38Very low96 Ų96134.7 Ų134.762%0.62375%0.746SS**  cis-145.6-176.8-17.742.2-23.5000118.8
527N40.1Very low38.2Very low163 Ų163132 Ų13287%0.87275%0.747SS**  trans78.3137.7148.6-66.2-26.4000121.7
528G39.4Very low38.4Very low65 Ų65130.1 Ų130.167%0.6775%0.746SS**  cis166.9160.9-11.600000116.9
529K38.2Very low38.4Very low205 Ų205136 Ų13689%0.89175%0.751SS**  trans78.4129.6-179.7-56.6171.9-177.2172.50115
530K40.1Very low37.9Very low184 Ų184138.5 Ų138.580%0.876%0.758SS**  cis-149.9134.42.2-118.5-176.2179.5-174.10111.4
531S40.7Very low37.7Very low94 Ų94133.6 Ų133.666%0.65775%0.749SS**  trans29.2142.5132.262.70000120.5
532S42.7Very low37.8Very low108 Ų108135.1 Ų135.176%0.75576%0.756SS**  cis-179.4167.422.118.10000110.9
533S44.8Very low37.8Very low95 Ų95132.7 Ų132.766%0.66476%0.757SS**  cis177.3129.5-25.356.30000112.5
534L39Very low37.7Very low153 Ų153130.6 Ų130.680%0.80175%0.753SS**  trans65.8158.1149.3-52164.4000118.4
535N33.6Very low37.8Very low122 Ų122132.3 Ų132.365%0.65275%0.752SS**  cis-160.7130.8-20.5-112.19.5000108.6
536T33.7Very low37.4Very low108 Ų108131.6 Ų131.666%0.66375%0.75SS**  51.513499.672.50000118.9
537S35.6Very low36.7Very low124 Ų124134 Ų13487%0.86776%0.763SS**  trans74.3145.8171.2-52.40000115
538S38.2Very low36.3Very low107 Ų107130 Ų13075%0.74876%0.761SS**  cis-148.4138.8744.20000109.8
539R32.2Very low36.1Very low233 Ų233136.4 Ų136.488%0.87977%0.77SS**  67.4126.792.2-132.1-167.5-159.2-172.66.3114.9
540L34.1Very low36.2Very low152 Ų152132.3 Ų132.380%0.79676%0.764SS**  trans92.3135.9168.9-77.987.7000121.6
541S32.1Very low35.8Very low99 Ų99130.3 Ų130.369%0.69276%0.762SS**  trans67.9100.3140.462.40000123.8
542S33.7Very low35.6Very low104 Ų104137.1 Ų137.173%0.72778%0.775SS**  74.8143.1119.765.70000123.2
543N34.8Very low35.1Very low153 Ų153137 Ų13782%0.81877%0.774SS**  trans69.6120.1167-69.8-5.4000116.2
544S34.9Very low34.8Very low93 Ų93143.9 Ų143.965%0.6579%0.787SS**  84.512362.8-1690000110.4
545Q37Very low34.4Very low167 Ų167145.6 Ų145.678%0.7879%0.793SS**  cis-158.2157.415.8-135.5167.133.700113.1
546N33.3Very low34.4Very low139 Ų139142.8 Ų142.874%0.74379%0.794SS**  trans74.3147.2150.6-93.1-20.7000123.9
547T33.4Very low34.5Very low145 Ų145145.9 Ų145.989%0.8980%0.804SS**  trans64.6128.3167.265.20000121.2
548G31.2Very low34.2Very low80 Ų80147.9 Ų147.983%0.82580%0.8SS**  trans151.9134.8167.700000115.6
549K34.1Very low33.8Very low200 Ų200149.9 Ų149.987%0.8781%0.808SS**  trans-79.5158.7173.3-62.1175.6177.81780112.3
550P41.1Very low33.7Very low118 Ų118143.5 Ų143.577%0.76680%0.795SS**  trans-101.3153.8153.236.2-29.4000113.1
551N32.4Very low33.5Very low142 Ų142147.6 Ų147.676%0.75980%0.801SS**  trans-110.4168.7170.8-74.1-23.7000110.4
552Y34.6Very low33.2Very low238 Ų238150 Ų15093%0.93381%0.806SS**  trans-130.9131151.4-85.9-77000110.7
553S33Very low33.1Very low105 Ų105150 Ų15073%0.73481%0.807SS**  trans-154.9158.9166.659.30000109.3
554Y37.8Very low32.9Very low240 Ų240146.5 Ų146.594%0.94179%0.794SS**  trans-137.3156.5171.2-119.7-95.2000109.3
555M32.3Very low32.6Very low188 Ų188148.9 Ų148.993%0.92680%0.799SS**  trans-139.4152.4-151.1-162.4-159.5-56.700113.4
556G33.5Very low32.4Very low64 Ų64147.7 Ų147.766%0.6680%0.799SS**  trans138.8140.7168.300000111.8
557I35Very low32.1Very low172 Ų172148.9 Ų148.988%0.88280%0.8SS**  cis-140.8148.43.6-65.9174.6000108.4
558Q28.9Very low32Very low167 Ų167149.9 Ų149.978%0.7879%0.794SS**  trans-96.4149.8173.8-67.4177.1-64.100112.8
559T31.1Very low31.9Very low148 Ų148152.4 Ų152.491%0.90879%0.788SS**  trans-134.4143.1140.649.20000108.9
560T28.4Very low31.6Very low99 Ų99151.5 Ų151.561%0.60779%0.788SS**  trans-133.8140.6-173.551.80000110.8
561Y29.9Very low31Very low238 Ų238150.5 Ų150.593%0.93379%0.789SS**  trans-144.5130.8154.7-107.5-82.4000109.8
562N26.9Very low31Very low149 Ų149148.9 Ų148.980%0.79779%0.789SS**  trans-93.1154.4174.6-63.5-14.3000109.7
563S31.2Very low30.6Very low106 Ų106145.2 Ų145.274%0.74179%0.785SS**  -173.3126.6105.4-145.20000114.2
564S29.8Very low30.4Very low79 Ų79143.8 Ų143.855%0.55279%0.787SS**  trans34.1112.4136.962.90000122.6
565D29.8Very low30Very low142 Ų142142 Ų14276%0.75979%0.787SS**  79.8147112.6-51.7-29000125.1
566N31.8Very low29.7Very low143 Ų143141.2 Ų141.277%0.76578%0.781SS**  trans84101.8153.3-63.1-34.4000121.9
567Q27.6Very low29.7Very low164 Ų164146.7 Ų146.777%0.76679%0.794SS**  23.3130.5127-56.2-177.6-0.200118.1
568H32.4Very low29.3Very low165 Ų165143.9 Ų143.976%0.76478%0.78SS**  -159.3-163.975.3-128.712.1000114.7
569N27.5Very low29.5Very low133 Ų133143.7 Ų143.771%0.71178%0.784SS**  trans-102.6164.6-156.6-75.7-32.9000117.7
570Q28.7Very low29.5Very low182 Ų182143.9 Ų143.985%0.8578%0.775SS**  trans79.5124.2146.3-84168-10.300122.3
571A28.9Very low29.6Very low96 Ų96149.4 Ų149.479%0.79379%0.786SS**  trans5213214100000120
572S32.2Very low30Very low108 Ų108143.3 Ų143.376%0.75578%0.776SS**  cis-171.6161.746.344.10000113.9
573N26.9Very low29.9Very low162 Ų162143.6 Ų143.687%0.86678%0.777SS**  trans19113.4157.3-60.4-2.6000121.7
574G27.5Very low29.8Very low74 Ų74146.4 Ų146.476%0.76378%0.782SS**  94.1125.4110.900000119.9
575Q30.4Very low29.6Very low204 Ų204151.4 Ų151.495%0.95380%0.797SS**  -169.1157.5112.4-103.7173.3-17.600111.8
576E26.1Very low29.7Very low171 Ų171151.5 Ų151.580%0.79980%0.802SS**  trans-78.7162.3-179.9-58170.810200112.5
577L31.9Very low29.5Very low178 Ų178152.1 Ų152.193%0.93281%0.805SS**  trans-147.4133.7146.6-116.3165.1000111.1
578I28.5Very low29.9Very low113 Ų113149.5 Ų149.558%0.57980%0.803SS**  trans-94.6151.4-163.8-63156.9000110.9
579N32Very low29.7Very low164 Ų164146.9 Ų146.988%0.87780%0.803SS**  trans-148.3141.4143.5-100.4-48.1000112.3
580H30.8Very low29.7Very low151 Ų151147.8 Ų147.870%0.69981%0.807SS**  trans-113.3163.8-178.8-101.841.7000110.5
581Y32Very low29.7Very low216 Ų216147.3 Ų147.385%0.84780%0.802SS**  172.9163.3125.4-95.5-57.2000112
582P36.6Very low29.6Very low110 Ų110148.9 Ų148.971%0.71480%0.797SS**  -129.3-176-112.746.8-33.4000117.1
583N25.3Very low29.4Very low155 Ų155152.6 Ų152.683%0.82980%0.802SS**  trans-74.8160.4171.6-74.1-53.3000114.7
584I30.2Very low29.3Very low165 Ų165149.8 Ų149.885%0.84680%0.796SS**  trans-135.9142.5157.7-63.9-177.4000109.1
585Q25.5Very low29.4Very low184 Ų184152.8 Ų152.886%0.8680%0.799SS**  trans-111.7150.8179.7-53.3170.3-78.900112.1
586V31.1Very low29.2Very low144 Ų144150 Ų15087%0.87379%0.791SS**  trans-146.2149.8150.7-170.60000109
587N27Very low29.3Very low156 Ų156151.6 Ų151.683%0.83480%0.795SS**  trans-108.8167.3-175.3-124.49.8000112.8
588P35.7Very low29.1Very low109 Ų109147.5 Ų147.571%0.70878%0.782SS**  trans-99.1172.5-162.539.2-38.6000116
589S29.1Very low29.3Very low109 Ų109150.2 Ų150.276%0.76279%0.792SS**  trans-160.9132.8165.1-25.60000116.8
590L28.5Very low29.2Very low152 Ų152149 Ų14980%0.79679%0.786SS**  trans73.2127.2140.7-85.675.4000125
591F28.8Very low29.2Very low172 Ų172147.9 Ų147.975%0.75479%0.789SS**  trans92.7106.3137.3-88.9-121.6000124.7
592N26.1Very low29.3Very low130 Ų130143.2 Ų143.270%0.69579%0.785SS**  20.9145.3117.1-60.4-9.2000119
593Q27.6Very low29.1Very low185 Ų185146 Ų14686%0.86479%0.793SS**  cis-169.9-165.343.1-146164.73.800112.1
594S25.4Very low29.3Very low103 Ų103143.2 Ų143.272%0.7279%0.785SS**  trans-123.6162.2-16455.40000116.3
595V29.5Very low29.5Very low138 Ų138140.1 Ų140.184%0.83678%0.778SS**  trans-144.3141.7164.7-174.70000110.9
596N26Very low29.9Very low146 Ų146139.2 Ų139.278%0.78178%0.779SS**  trans-100167.1177.2-72.1-30.7000112.7
597F28.3Very low30.2Very low203 Ų203137.6 Ų137.689%0.8977%0.771SS**  trans-138.6158.9148.7-107.2-81.8000112
598S27.8Very low30.3Very low93 Ų93141.2 Ų141.265%0.6577%0.773SS**  trans-154.7160.7-16060.20000113.9
599Q32Very low30.2Very low170 Ų170143.2 Ų143.279%0.79478%0.777SS**  trans153.8165.8157-88156.844.800110.9
600N31.2Very low30.1Very low139 Ų139145.2 Ų145.274%0.74378%0.779SS**  cis-179.2154.7-43.9-91.9-1000106.9
601T30.3Very low30.3Very low126 Ų126145.7 Ų145.777%0.77378%0.781SS**  cis-162161.8-9.316.70000108.9
602P34.4Very low30.1Very low118 Ų118144.2 Ų144.277%0.76678%0.781SS**  trans-115166.6-163.942-34.5000118.1
603I31.5Very low30.6Very low170 Ų170145.2 Ų145.287%0.87279%0.785SS**  trans-158.9155.4171.7-48.2179.5000108.6
604S29.9Very low30.9Very low96 Ų96140.5 Ų140.567%0.67177%0.772SS**  cis-171.3148.9-42.7-177.30000111.8
605S33.4Very low31.2Very low99 Ų99142.6 Ų142.669%0.69278%0.776SS**  trans52.6114.5148.455.80000125
606D34.8Very low31.4Very low165 Ų165143.2 Ų143.288%0.88277%0.774SS**  trans80.6149.8131.1-80.2-4.9000126.7
607P36.4Very low31.8Very low110 Ų110141.1 Ų141.171%0.71477%0.771SS**  trans-130.3160.5-166.542.5-25.5000117.5
608R30.4Very low32.1Very low232 Ų232136.6 Ų136.688%0.87576%0.764SS**  trans-171159.4154.3-123.9177.7168.797-0.8115.3
609L32.1Very low32.1Very low151 Ų151143.5 Ų143.579%0.79178%0.776SS**  trans64161174-81.481.6000115.5
610L27.7Very low32.2Very low152 Ų152142 Ų14280%0.79678%0.778SS**  cis156136.3-26.2-110.6178.6000105.2
611L32.4Very low32Very low162 Ų162142.7 Ų142.785%0.84878%0.782SS**  trans146.7127.5169.2-85.7157.3000107
612N26.3Very low32.2Very low140 Ų140142.6 Ų142.675%0.74979%0.786SS**  cis90.792.616.6-162.781.3000117
613I35.1Very low32Very low152 Ų152146.7 Ų146.778%0.77979%0.792SS**  trans-152110.9167.5-46.5-178.4000104
614S33.3Very low31.9Very low85 Ų85143.1 Ų143.159%0.59479%0.788SS**  63.5138.363.773.20000114
615D33.2Very low31.8Very low147 Ų147143.2 Ų143.279%0.78679%0.789SS**  cis-161.8-166.7-8-123.8-52.8000110.1
616D34Very low31.8Very low152 Ų152144.8 Ų144.881%0.81380%0.799SS**  trans69.4155.5170.9-76-33.1000117.7
617S34Very low31.5Very low101 Ų101140.5 Ų140.571%0.70680%0.795SS**  cis-170.3161.2-18.954.10000108.4
618S34Very low31.2Very low108 Ų108140.1 Ų140.176%0.75579%0.794SS**  cis-159.3115.9-24.3550000112.6
619R28.6Very low31.2Very low239 Ų239137.1 Ų137.190%0.90279%0.788SS**  trans21.7113.1148.3-174.3-158.3-141.2163.97120.5
620V33.6Very low31.2Very low137 Ų137137.1 Ų137.183%0.8379%0.786SS**  trans-144.4140.2139.5179.20000110.1
621N27.3Very low31.4Very low155 Ų155137.8 Ų137.883%0.82979%0.79SS**  trans-116.8137.5172-80.2-42.9000110.5
622S34.5Very low31.4Very low123 Ų123133.1 Ų133.186%0.8678%0.782SS**  trans-158.9143.2149.349.50000112.4
623K28.9Very low31.7Very low205 Ų205134 Ų13489%0.89179%0.786SS**  trans-88.5165.7-179.3-72.1174171.2175.70111.7
624A30.8Very low31.5Very low95 Ų95132.5 Ų132.579%0.78579%0.788SS**  trans72.5155.1148.200000117.2
625S28Very low31.5Very low98 Ų98135.5 Ų135.569%0.68580%0.797SS**  cis-179.4158.4-26.855.10000108.6
626S32Very low31.7Very low131 Ų131133.7 Ų133.792%0.91679%0.793SS**  trans67.6170.9172.682.70000116.5
627G29Very low31.6Very low76 Ų76132.2 Ų132.278%0.78479%0.789SS**  trans115.263.2166.900000117
628S30.3Very low31.8Very low101 Ų101132.2 Ų132.271%0.70679%0.789SS**  trans-68.7170.3177.343.60000116.6
629F30.6Very low31.8Very low169 Ų169135 Ų13574%0.74179%0.79SS**  trans105.2109.7158.3-73.5-84000121.4
630M31.5Very low32.2Very low151 Ų151128.6 Ų128.674%0.74478%0.78SS**  trans54.2120.6136.8-70.4178.3177.700122.4
631N32.9Very low32.4Very low166 Ų166126.6 Ų126.689%0.88877%0.772SS**  -175.8150.896.4-94.2-43.4000113.4
632G32.4Very low32.6Very low65 Ų65128 Ų12867%0.6777%0.773SS**  trans101.692.5153.100000120.7
633N32.6Very low32.4Very low159 Ų159127.9 Ų127.985%0.8577%0.771SS**  25.3138.6126.5-53.1-3.8000120.1
634C30.3Very low32.7Very low119 Ų119125.9 Ų125.980%0.80477%0.768SS**  cis-160.6174.76.7-112.40000113.9
635L33.7Very low32.9Very low149 Ų149128.5 Ų128.578%0.7877%0.768SS**  trans-80.3-172.8-174.2-75.6129.6000115T637L635-T637 HydrophobicContact CD2-CG2 3.84Å
636P36.6Very low33.1Very low109 Ų109129.5 Ų129.571%0.70877%0.772SS**  cis-128.1151.62.112.315.4000116.5
637T33.1Very low33.1Very low120 Ų120129.2 Ų129.274%0.73677%0.769SS**  53.6144.287.1790000117.3L635L635-T637 HydrophobicContact CD2-CG2 3.84Å
638S36.9Very low33.5Very low102 Ų102131.1 Ų131.171%0.71377%0.767SS**  cis-140.4-177.510.159.90000110.4
639H34.9Very low33.9Very low165 Ų165132 Ų13276%0.76477%0.77SS**  cis67.2165.423.9-116.15.6000115.1
640P36.8Very low34.2Very low106 Ų106131 Ų13169%0.68877%0.773SS**  cis-90.6-138442.6-39000111.7
641S37.2Very low34.2Very low95 Ų95129 Ų12966%0.66477%0.77SS**  cis-160.2119-9.942.80000112.7
642H32.4Very low34.5Very low184 Ų184129 Ų12985%0.85276%0.764SS**  trans-172.679.6136.4-117.9-66000110.5
643C28.8Very low34.6Very low120 Ų120132 Ų13281%0.81176%0.764SS**  trans-130139.6167.4-65.30000108.5
644I35.5Very low34.6Very low164 Ų164132.1 Ų132.184%0.84176%0.762SS**  trans-115.3117.1171.4-61.6177.1000107.1
645L34.9Very low35Very low150 Ų150132.5 Ų132.579%0.78576%0.761SS**  trans-117.2152172.6-85.8159.1000108.4
646P32.2Very low34.9Very low119 Ų119130.6 Ų130.677%0.77376%0.757SS**PPolyproline II helixtrans-77.1147.8-173.131.6-35.4000112.7
647C33.7Very low34.8Very low125 Ų125130.4 Ų130.485%0.84576%0.759SS**PPolyproline II helixtrans-86.9140.1175.9-65.80000112.2
648P37.3Very low34.7Very low116 Ų116131.5 Ų131.575%0.75376%0.76SS**PPolyproline II helixtrans-86.1167.417735.8-36.2000113.4
649P37.6Very low34.6Very low118 Ų118134.6 Ų134.677%0.76676%0.763SS**PPolyproline II helixtrans-91.1159.2-177.136.6-36.5000114.6
650N36.7Very low34.5Very low149 Ų149130.4 Ų130.480%0.79775%0.752SS**  trans-161108.8159.3-92.9-28.8000108.1
651T32Very low34.2Very low110 Ų110131.6 Ų131.668%0.67575%0.753SS**  67.1116.889.261.50000116.6
652H38.8Very low33.8Very low165 Ų165133.5 Ų133.576%0.76475%0.754SS**  -171.4131126.2-102.2-62.2000112.2
653N34.5Very low33.7Very low127 Ų127131.9 Ų131.968%0.67975%0.747SS**  trans53134.9150.8-55.27.6000118.4
654M33.6Very low33.7Very low162 Ų162134 Ų13480%0.79875%0.745SS**  cis-165.4169.57.3-99.7159.9-17900106.2
655T37.2Very low33.4Very low128 Ų128130.7 Ų130.779%0.78574%0.742SS**  cis-151.51733.13.60000108.3
656P33.4Very low33.2Very low108 Ų108134.4 Ų134.470%0.70175%0.746SS**  trans-108.1174.5-160.741.1-37.6000117.9
657S33.8Very low33.1Very low106 Ų106134.7 Ų134.774%0.74174%0.741SS**  trans79.2146.8160.7840000117.6
658N29.8Very low33Very low142 Ų142134.2 Ų134.276%0.75973%0.73SS**  cis-164.3171.3-15.2-120.914000111.4
659H35.1Very low32.6Very low167 Ų167137.2 Ų137.277%0.77373%0.731SS**  trans84.1171.5162.4-85.6-63.9000120.5
660S32.6Very low32.3Very low78 Ų78137.1 Ų137.155%0.54572%0.724SS.*  -152.1175.6-127.651.40000113.6
661D31.5Very low31.9Very low131 Ų131137.4 Ų137.470%0.70172%0.721SS**  trans87.1122.3150.6-62.7-52.7000122.4
662I29.2Very low31.7Very low134 Ų134141.1 Ų141.169%0.68773%0.728SS**  82.897.8128.2-65.8172.7000120.8
663Q29Very low31.7Very low151 Ų151138 Ų13871%0.70672%0.722SS**  77146.6123.9-69.7-163.818.400125.9
664Q28.8Very low31.5Very low164 Ų164135.6 Ų135.677%0.76672%0.72SS**  trans75.385.7142-77.4-179.527.500122.6
665A30.8Very low31.4Very low95 Ų95136.9 Ų136.979%0.78572%0.717SS**  36.9126.3109.300000122.4
666R30.2Very low31Very low228 Ų228138.5 Ų138.586%0.8671%0.714SS**  trans-161.7132.5133.9-107.6178.6167.3149.8-1.1109.2
667N30.2Very low30.8Very low124 Ų124141.1 Ų141.166%0.66372%0.719SS**  61.3140.192.2-64.545.9000114
668N30.5Very low30.6Very low115 Ų115142.5 Ų142.562%0.61572%0.717SS**  cis-168.4153.10.6-112.413.8000109.8
669F30.6Very low30.6Very low180 Ų180139.4 Ų139.479%0.78971%0.707SS**  trans52.9151.2144.1-72.5-120.1000118.7
670D29.8Very low30.3Very low115 Ų115139.5 Ų139.562%0.61571%0.713SS**  cis-158.4-171.214.7-143-0.6000107.9
671Q28.9Very low30.3Very low155 Ų155139.3 Ų139.372%0.72472%0.724SS**  cis-153.4-148.32.5-154.516789.700110.4
672F28Very low30.3Very low189 Ų189142.7 Ų142.783%0.82974%0.735SS**  trans-147.1-173.6-164.8-96.9-112.4000109.5
673P37.6Very low30.2Very low99 Ų99143.9 Ų143.964%0.64374%0.743SS**  -146.9-169.2-54.344.6-26.8000116.8
674A31.1Very low30.3Very low76 Ų76144.9 Ų144.963%0.62875%0.752SS**  trans76.8161.6148.400000119.2
675Y31.1Very low30.3Very low190 Ų190144 Ų14475%0.74575%0.753SS**  cis-158.9166.131.8-91.5-80.1000116.1
676F30.2Very low30.4Very low161 Ų161145 Ų14571%0.70675%0.751SS**  trans66.2123.3149.8-69.8-46.8000122
677M28.1Very low30.3Very low164 Ų164141.8 Ų141.881%0.80875%0.746SS**  80145.683-98.5-176.7-168.400115.5
678N28.8Very low30.1Very low134 Ų134143.4 Ų143.472%0.71775%0.752SS**  cis-162.8162.33.2-165.215.9000114.5
679S31.4Very low30.1Very low78 Ų78148.1 Ų148.155%0.54577%0.767SS.*  trans64.4125.714360.90000127.3
680N29.1Very low29.9Very low168 Ų168146.5 Ų146.590%0.89877%0.766SS**  trans78.6137.8132.3-62.4-7.4000124.2
681G30.8Very low30Very low74 Ų74149.8 Ų149.876%0.76378%0.778SS**  trans-174.634.9-179.500000123.5
682Q32.1Very low30.1Very low202 Ų202151.7 Ų151.794%0.94478%0.784SS**  trans66.7162.5157.4-63.3-170.5-7.100123.2
683N26.4Very low30Very low160 Ų160147.3 Ų147.386%0.85678%0.777SS**  trans-91.7163.8-167.9-59.9-64.4000115.6
684L32.4Very low29.7Very low172 Ų172150.8 Ų150.890%0.90179%0.789SS**  trans-162.5142.9140.1-109.5162.5000112.4
685N28.1Very low29.3Very low144 Ų144155.3 Ų155.377%0.7780%0.797SS**  trans-166137.4175.8-178.78.4000110.4
686P32.3Very low29.3Very low116 Ų116152 Ų15275%0.75380%0.799SS**  trans-143.7121.9145.434.4-16.6000116.6
687Q29.1Very low29.1Very low161 Ų161149.7 Ų149.775%0.75280%0.798SS**  trans33.2145.9133.3-78.3-164.4-9.600125.5
688M25.5Very low29.2Very low159 Ų159152.3 Ų152.378%0.78380%0.801SS**  trans74.5111.6144.5-77.7-172.2-175.400121.3
689F31.6Very low29.3Very low213 Ų213154.2 Ų154.293%0.93481%0.806SS**  -145.5156.4108.8-121.9-89.1000109.3
690N25.6Very low29.2Very low146 Ų146156.8 Ų156.878%0.78182%0.82SS**  trans-155.4118-169.6-178.617.1000111.8
691E32.5Very low29.3Very low185 Ų185153.5 Ų153.586%0.86482%0.816SS**  trans-127.3130.3172-73.8-151.1113.300114.7
692K29.9Very low29.4Very low194 Ų194155 Ų15584%0.84381%0.813SS**  trans-56.1168.6166-67.1165.4-177170.70112.4
693S25.9Very low29.1Very low97 Ų97154.9 Ų154.968%0.67881%0.81SS**  cis177.1139.8-22.858.40000107.4
694L30.9Very low29.4Very low172 Ų172153.4 Ų153.490%0.90181%0.809SS**  trans-178.2108.2151.2-105153.4000111.1
695Q24.2Very low29.2Very low171 Ų171148.7 Ų148.780%0.79980%0.802SS**  trans-104.1135.7162.6-74.9177.8-65.100109.3
696P31.3Very low29.3Very low121 Ų121147.8 Ų147.879%0.78681%0.807SS**  trans-9094.516132.9-28000109.9
697T25.1Very low29.3Very low112 Ų112149 Ų14969%0.68781%0.805SS**  trans-71.5128.7168.1-55.20000109.7
698Y31.2Very low29.4Very low219 Ų219146.5 Ų146.586%0.85980%0.803SS**  trans-132.7128.6166.2-98-88.1000110.8
699Q29.7Very low29.6Very low175 Ų175145.3 Ų145.382%0.81880%0.8SS**  trans-90.1151.5178.3-64174-80.100110.6
700P29.1Very low29.6Very low131 Ų131144.6 Ų144.685%0.85180%0.796SS**  trans-74.3142.9171.631.5-34.2000111.5
701A31.5Very low29.7Very low99 Ų99145 Ų14582%0.81880%0.796SS**  trans-129.7150.5169.800000110.2
702P32.6Very low29.5Very low107 Ų107144.2 Ų144.270%0.69580%0.797SS**  trans-125149-149.839.2-24.7000116.7
703F26.2Very low29.5Very low199 Ų199139.9 Ų139.987%0.87379%0.791SS**  trans62.5170164.3-66.1-62.4000116.9
704P33.1Very low29.8Very low129 Ų129141.9 Ų141.984%0.83880%0.798SS**  cis-109.5-177.4-7.340.6-29.3000113.2
705G27.4Very low30.1Very low73 Ų73138.7 Ų138.775%0.75379%0.788SS**  trans-120.8164.7-179.600000114.5
706S31.3Very low30.5Very low125 Ų125136.4 Ų136.487%0.87479%0.788SS**  trans-157.1152.216247.70000109.7
707I32.6Very low30.4Very low142 Ų142135.1 Ų135.173%0.72879%0.787SS**  trans-105.3161.5-178.4-24.7178.8000108.8
708P30.8Very low31Very low107 Ų107135.8 Ų135.870%0.69579%0.794SS**  -142.1151.3100.637.5-24.9000114.9
709N30Very low30.9Very low135 Ų135130.1 Ų130.172%0.72279%0.786SS**  trans-77.1149163.4-68.5-37.1000110.2
710F31.7Very low30.9Very low197 Ų197129.3 Ų129.386%0.86479%0.788SS**  trans-121.3128.3153.9-91.6-87.1000109.6
711M27.4Very low31Very low156 Ų156128.1 Ų128.177%0.76879%0.789SS**  trans-101.5170.3172.4-61.9-173-18000110.3
712L28.1Very low30.9Very low168 Ų168128.5 Ų128.588%0.8879%0.785SS**  trans70.2149.2162.4-61.2150.2000113.9
713S30.5Very low30.7Very low103 Ų103131.3 Ų131.372%0.7279%0.789SS**  cis-144.2147.920.152.10000113.3
714V30.7Very low30.9Very low138 Ų138129.2 Ų129.284%0.83679%0.786SS**PPolyproline II helixtrans-91120.6161174.30000108.2
715P38.5Very low30.6Very low106 Ų106127.8 Ų127.869%0.68878%0.779SS**PPolyproline II helixtrans-73.3146.9168.830.8-32.7000110.5
716P32.6Very low30.8Very low122 Ų122133.3 Ų133.379%0.79278%0.782SS**PPolyproline II helixtrans-74.2153.7-17230.9-36.3000113
717A29.1Very low30.8Very low94 Ų94132 Ų13278%0.77777%0.765SS**PPolyproline II helixtrans-75.4137171.600000111.4
718P36.4Very low30.8Very low126 Ų126132.6 Ų132.682%0.81877%0.765SS**PPolyproline II helixtrans-74.4133156.931.7-30.6000109.3
719S30.4Very low30.9Very low100 Ų100138.3 Ų138.370%0.69977%0.774SS**PPolyproline II helixtrans-89.8166.1171.149.90000111.5
720N29.4Very low31.1Very low159 Ų159136.9 Ų136.985%0.8578%0.775SS**  trans63.388.7165-58.2-7.2000117.8
721A31.2Very low31.3Very low106 Ų106131.5 Ų131.588%0.87677%0.767SS**  trans-146.7134133.500000109.6
722S28.9Very low31.4Very low106 Ų106130.9 Ų130.974%0.74177%0.771SS**  trans-92.8-177.4170.349.50000110.8
723E29.1Very low31.7Very low167 Ų167128.1 Ų128.178%0.7877%0.766SS**  trans77.1105.9172.9-48.6-167.9125.900113.6
724I30.1Very low31.6Very low155 Ų155132.5 Ų132.580%0.79578%0.775SS**  90.6114.569-74.5162.8000112.3
725S25.6Very low31.8Very low99 Ų99131.4 Ų131.469%0.69277%0.774SS**  trans49.2122.2151.7-159.70000121.2
726F31.6Very low31.7Very low188 Ų188131.8 Ų131.883%0.82578%0.776SS**  trans-168.5109.6132-122.7-114.1000106.4
727D33Very low31.5Very low98 Ų98132.9 Ų132.952%0.52478%0.78SS.*  93.3110.996-8522000112.5
728Q32.1Very low31.7Very low155 Ų155134 Ų13472%0.72478%0.783SS**  81.599.676-79.7-161.345.100114.9
729Y33.4Very low31.2Very low227 Ų227133.6 Ų133.689%0.8978%0.783SS**  trans-149.799.6137.8-88.3-73.7000106.7
730S33.2Very low31.3Very low105 Ų105134.2 Ų134.273%0.73479%0.787SS**  79.6130.689.9-60.70000113.3
731A35.3Very low31.2Very low84 Ų84132.8 Ų132.869%0.69478%0.784SS**  cis-150.1147.20.500000107.8
732V30.3Very low31.2Very low142 Ų142135.7 Ų135.786%0.86178%0.784SS**  52.2118.869.8-174.90000110.4
733S34.2Very low31.1Very low110 Ų110135.1 Ų135.177%0.76978%0.776SS**  -142.6150.452.555.80000117.1
734Q29Very low31.4Very low195 Ų195134.4 Ų134.491%0.91178%0.778SS**  trans-91.9151.3155.9-62.3171.9-14.600109.9
735S34.8Very low31.3Very low115 Ų115134.1 Ų134.180%0.80477%0.773SS**  trans-155.1152.2153.657.80000111.3
736P35.4Very low31.7Very low114 Ų114138.9 Ų138.974%0.7478%0.777SS**  trans-115.5160.6-160.413.211.1000115.4
737V29.8Very low31.7Very low145 Ų145135.9 Ų135.988%0.87977%0.774SS**  trans37.7102.2147-171.20000118
738S31.8Very low31.8Very low119 Ų119135.3 Ų135.383%0.83278%0.783SS**  trans-151.1127.4146.162.60000111.2
739S27Very low32Very low117 Ų117132.9 Ų132.982%0.81878%0.781SS**  trans-85.5133.1179.553.60000112.9
740S31.5Very low32Very low113 Ų113130.9 Ų130.979%0.7978%0.777SS**  trans-170.5137.5137.955.90000112.9
741T28Very low31.9Very low128 Ų128129.9 Ų129.979%0.78577%0.77SS**  trans-41140.8160.846.80000115
742L31.1Very low31.5Very low168 Ų168133.9 Ų133.988%0.8877%0.774SS**  -165144.4116.7-106158.1000112.9
743T27.3Very low31.5Very low94 Ų94135.4 Ų135.458%0.57777%0.77SS**  trans-83.6151.9-178.246.60000113.3
744N34Very low31.3Very low151 Ų151135.6 Ų135.681%0.80777%0.766SS**  trans-165.799.9138.5-88.2-34.6000107.2
745H29.9Very low31.3Very low150 Ų150134.3 Ų134.369%0.69476%0.759SS**  71.9149.771.5-87.6-74000116.3
746Y33.3Very low31Very low199 Ų199135.5 Ų135.578%0.7876%0.757SS**  trans79.3124.5176-56.7-76.7000117.5
747T31.2Very low30.7Very low125 Ų125137.3 Ų137.377%0.76776%0.756SS**  cis-164.4148.7-24.7-3.40000110.1
748A35.5Very low30.6Very low86 Ų86137.4 Ų137.471%0.71175%0.751SS**  trans-101.2159.6151.400000108.9
749P36.2Very low30.5Very low104 Ų104136.9 Ų136.968%0.67575%0.748SS**  -148.7-173.697.342.7-25.7000112.8
750F32.7Very low30.7Very low185 Ų185139.5 Ų139.581%0.81175%0.747SS**  cis-152155.916.5-115.7-59.8000111.8
751S31.4Very low30.3Very low83 Ų83140 Ų14058%0.5875%0.749SS**  trans26.9128.9152.156.10000121.3
752E27.7Very low30.5Very low168 Ų168142.1 Ų142.179%0.78575%0.747SS**  57.6129.875.6-59.8178.2131.900113.1
753F30.6Very low30.4Very low174 Ų174141.2 Ų141.276%0.76374%0.743SS**  -150132.756.3-98.4-105.5000111.4
754V28.3Very low30.4Very low114 Ų114146.3 Ų146.369%0.69176%0.758SS**  78.4127100.4166.80000117.1
755H29Very low30.1Very low168 Ų168150 Ų15078%0.77876%0.761SS**  trans27.3136161.5-73.4-78.3000120
756N29.5Very low30.1Very low141 Ų141151.2 Ų151.275%0.75477%0.766SS**  -157167.855.8-15513.2000115
757E28.6Very low29.9Very low152 Ų152149.1 Ų149.171%0.7176%0.763SS**  trans-76.5140175-57173.1125.400112.1
758N28.2Very low30Very low146 Ų146153.7 Ų153.778%0.78177%0.773SS**  165.1164.3120.8-93.5-72.8000113.3
759S29.3Very low29.7Very low109 Ų109155.9 Ų155.976%0.76277%0.768SS**  trans79.6125.8160.469.30000120.5
760E31.4Very low29.8Very low171 Ų171157 Ų15780%0.79978%0.779SS**  trans61.9120.5151.7-62.3-163.7174.300122.9
761C23.9Very low29.7Very low124 Ų124154.1 Ų154.184%0.83877%0.767SS**  trans-67.9130.7161.8-56.80000112
762K30.6Very low29.8Very low172 Ų172159.8 Ų159.875%0.74878%0.777SS**  trans-154.1117.4147.7-107.8146.3-166.6160.80113
763D29.4Very low30.2Very low149 Ų149159.3 Ų159.380%0.79778%0.78SS**  trans3.8114149.3-163.67.7000118.1
764F28.6Very low30.1Very low202 Ų202159.5 Ų159.589%0.88678%0.783SS**  trans-144.1104.9165-98.8-81.2000111.1
765R26.8Very low30.4Very low228 Ų228164.2 Ų164.286%0.8681%0.812SS**  trans-135.550.6175-157.3-168.5-178.5177.42114
766H30.7Very low30.5Very low176 Ų176164.1 Ų164.182%0.81581%0.814SS**  trans-148117.1167.5-87.1-78.9000111.8
767H29.3Very low30.5Very low154 Ų154165.3 Ų165.371%0.71382%0.817SS**  -174116.2128.6-106.974000111.5
768F32.3Very low30.7Very low221 Ų221166 Ų16697%0.96982%0.823SS**  trans-156.1112.5139.4-113.4-73.4000107.4
769Q29.6Very low30.8Very low133 Ų133167.2 Ų167.262%0.62183%0.826SS**  trans-86.3150.1179.9-68.4170-76.400110.8
770S37.9Very low30.9Very low127 Ų127170.8 Ų170.889%0.88883%0.83SS**  trans-129.3137.7145.855.10000107.6
771H31.3Very low30.9Very low124 Ų124170.8 Ų170.857%0.57483%0.832SS**  trans-112.4148.5-161.8-127.2-85.6000110.9
772Y31.9Very low31.4Very low202 Ų202174.1 Ų174.179%0.79283%0.831SS**  trans66.2160.2167.7-69.5-64.1000116.5
773L36.1Very low31.4Very low159 Ų159174.3 Ų174.383%0.83284%0.838SS**  cis-134.6169.98-132.2147.3000111.1
774Q29.9Very low31.6Very low177 Ų177176.4 Ų176.483%0.82784%0.841SS**  trans-127.6109.6-165.6178.7-175.47.200112.1
775T34.6Very low31.9Very low214 Ų214174.1 Ų174.1100%1.31384%0.837SS**  trans-155.80158.749.20000108.6

Retrieved 775 of 775 residues in 1065.4 ms (Link to these results)