A0A3Q0KT69_SCHMA Loading...

Protein shisa-5 AlphaSync

AlphaFold DB , UniProt , Accession A0A3Q0KT69, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 309 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
1M47.2Very low65.9Low253 Ų253123.2 Ų123.2100%1.24664%0.643SS**  084.40-74.6162149.400107.8
2G49Very low67.3Low50 Ų50119.7 Ų119.752%0.51563%0.631SS.*  trans-88.9-172.7-163.300000114.2M4G2-M4 PolarHBondContact O-N 3.32Å
3P60.1Low68.4Low107 Ų107116.2 Ų116.270%0.69561%0.612SS**G310 helixtrans-56.70.4-157.122.8-36000118.4R5 L6P3-R5 PolarHBondContact O-N 3.08Å; P3-R5 VanDerWaalsContact O-N 3.15Å; P3-L6 PolarHBondContact O-N 2.86Å; P3-L6 VanDerWaalsContact O-N 3.12Å
4M59Low69.3Low157 Ų157113.9 Ų113.977%0.77360%0.6SS**G310 helixtrans-61.4-20.4178.5-67.2-64.3-167.100114.2G2 P8G2-M4 PolarHBondContact O-N 3.32Å; M4-P8 WeakPolarHBondContact O-CD 3.35Å
5R64.6Low70Confident217 Ų217113.8 Ų113.882%0.81960%0.599SS**G310 helixtrans-83.6-19.6176.8-69.3-110.9175.7162.6-2.3113.8P3 P8 I9P3-R5 PolarHBondContact O-N 3.08Å; P3-R5 VanDerWaalsContact O-N 3.15Å; R5-P8 WeakPolarHBondContact O-CD 3.32Å; R5-P8 WeakPolarHBondContact O-CG 3.15Å; R5-I9 WeakPolarHBondContact O-CD1 3.11Å
6L65.4Low70.7Confident119 Ų119111.9 Ų111.962%0.62359%0.589SS**Hα-helixtrans-86.1-29.1179.2-67.8176.1000112.2P3 I9 F10P3-L6 PolarHBondContact O-N 2.86Å; P3-L6 VanDerWaalsContact O-N 3.12Å; L6-I9 HydrophobicContact CD2-CD1 4.44Å; L6-I9 PolarHBondContact O-N 2.81Å; L6-F10 WeakPolarHBondContact O-CB 3.39Å; L6-F10 PolarHBondContact O-N 3.21Å
7L69.8Low71.1Confident109 Ų109110.2 Ų110.257%0.57157%0.574SS**Hα-helixtrans-57.4-47177.2-146.2153.5000113.4I9 F10 V11L7-I9 VanDerWaalsContact C-N 3.34Å; L7-I9 PolarHBondContact O-N 2.76Å; L7-F10 PolarHBondContact O-N 3.43Å; L7-V11 HydrophobicContact CD2-CG2 4.17Å; L7-V11 WeakPolarHBondContact O-CG2 3.46Å; L7-V11 PolarHBondContact O-N 3.43Å
8P75Confident71.4Confident69 Ų69110.1 Ų110.145%0.44857%0.573SS.*Hα-helixtrans-67.3-34.5176.226.7-35.4000112.5M4 R5 F10 V11 V12M4-P8 WeakPolarHBondContact O-CD 3.35Å; R5-P8 WeakPolarHBondContact O-CD 3.32Å; R5-P8 WeakPolarHBondContact O-CG 3.15Å; P8-F10 VanDerWaalsContact C-N 3.33Å; P8-V11 PolarHBondContact O-N 3.14Å; P8-V12 VanDerWaalsContact O-CG2 3.27Å; P8-V12 WeakPolarHBondContact O-CG2 2.86Å; P8-V12 PolarHBondContact O-N 3.1Å
9I77.8Confident71.7Confident96 Ų96109.6 Ų109.649%0.49257%0.568SS.*Hα-helixtrans-65.1-41.1176.6-62.5171.8000110.2R5 L6 L7 V12 L13R5-I9 WeakPolarHBondContact O-CD1 3.11Å; L6-I9 HydrophobicContact CD2-CD1 4.44Å; L6-I9 PolarHBondContact O-N 2.81Å; L7-I9 VanDerWaalsContact C-N 3.34Å; L7-I9 PolarHBondContact O-N 2.76Å; I9-V12 PolarHBondContact O-N 3.29Å; I9-L13 HydrophobicContact CG2-CD1 4.11Å; I9-L13 WeakPolarHBondContact O-CB 3.42Å; I9-L13 PolarHBondContact O-N 3.44Å
10F75.8Confident71.7Confident111 Ų111109.8 Ų109.849%0.48757%0.569SS.*Hα-helixtrans-65.2-42.3176.5-167.5-101.3000111.9L6 L7 P8 L13 L14L6-F10 WeakPolarHBondContact O-CB 3.39Å; L6-F10 PolarHBondContact O-N 3.21Å; L7-F10 PolarHBondContact O-N 3.43Å; P8-F10 VanDerWaalsContact C-N 3.33Å; F10-L13 PolarHBondContact O-N 3.33Å; F10-L14 HydrophobicContact CD1-CD1 3.79Å; F10-L14 HydrophobicContact CD1-CG 4.19Å; F10-L14 HydrophobicContact CE1-CD1 3.53Å; F10-L14 HydrophobicContact CE1-CD2 4.41Å; F10-L14 HydrophobicContact CE1-CG 4.01Å; F10-L14 HydrophobicContact CZ-CD1 4.37Å; F10-L14 HydrophobicContact CZ-CD2 4.49Å; F10-L14 HydrophobicContact CZ-CG 4.48Å; F10-L14 WeakPolarHBondContact O-CG 3.38Å; F10-L14 PolarHBondContact O-N 3.33Å
11V81Confident71.4Confident67 Ų67109.9 Ų109.941%0.40657%0.569SS.*Hα-helixtrans-62.6-44.5175173.50000111.2L7 P8 L13 L14 L15L7-V11 HydrophobicContact CD2-CG2 4.17Å; L7-V11 WeakPolarHBondContact O-CG2 3.46Å; L7-V11 PolarHBondContact O-N 3.43Å; P8-V11 PolarHBondContact O-N 3.14Å; V11-L13 VanDerWaalsContact C-N 3.34Å; V11-L13 PolarHBondContact O-N 3.44Å; V11-L14 PolarHBondContact O-N 3.31Å; V11-L15 HydrophobicContact CG1-CD1 4.06Å; V11-L15 HydrophobicContact CG1-CG 4.42Å; V11-L15 VanDerWaalsContact O-CG 3.29Å; V11-L15 WeakPolarHBondContact O-CG 3.14Å; V11-L15 PolarHBondContact O-N 3.12Å
12V82.9Confident72Confident81 Ų81101.4 Ų101.449%0.49154%0.54SS..Hα-helixtrans-63.4-40.4176.9172.10000111.5P8 I9 L15 L16P8-V12 VanDerWaalsContact O-CG2 3.27Å; P8-V12 WeakPolarHBondContact O-CG2 2.86Å; P8-V12 PolarHBondContact O-N 3.1Å; I9-V12 PolarHBondContact O-N 3.29Å; V12-L15 PolarHBondContact O-N 2.74Å; V12-L16 HydrophobicContact CG1-CD1 3.98Å; V12-L16 WeakPolarHBondContact O-CB 3.48Å; V12-L16 WeakPolarHBondContact O-CG 3.44Å; V12-L16 PolarHBondContact O-N 3.37Å
13L81.8Confident72.5Confident75 Ų75105.5 Ų105.539%0.39354%0.543SS..Hα-helixtrans-62.5-46.1173.8-93.1154.5000111.7I9 F10 V11 L15 L16 Y17I9-L13 HydrophobicContact CG2-CD1 4.11Å; I9-L13 WeakPolarHBondContact O-CB 3.42Å; I9-L13 PolarHBondContact O-N 3.44Å; F10-L13 PolarHBondContact O-N 3.33Å; V11-L13 VanDerWaalsContact C-N 3.34Å; V11-L13 PolarHBondContact O-N 3.44Å; L13-L15 VanDerWaalsContact C-N 3.35Å; L13-L15 PolarHBondContact O-N 3.29Å; L13-L16 PolarHBondContact O-N 2.8Å; L13-Y17 HydrophobicContact CD2-CD2 4.5Å; L13-Y17 HydrophobicContact CD2-CE2 3.85Å; L13-Y17 WeakPolarHBondContact O-CD2 3.5Å; L13-Y17 PolarHBondContact O-N 2.94Å
14L80.6Confident72Confident84 Ų84105.5 Ų105.544%0.4454%0.544SS..Hα-helixtrans-60.3-43.2176.4-73.3179.4000112F10 V11 L16 Y17 D18F10-L14 HydrophobicContact CD1-CD1 3.79Å; F10-L14 HydrophobicContact CD1-CG 4.19Å; F10-L14 HydrophobicContact CE1-CD1 3.53Å; F10-L14 HydrophobicContact CE1-CD2 4.41Å; F10-L14 HydrophobicContact CE1-CG 4.01Å; F10-L14 HydrophobicContact CZ-CD1 4.37Å; F10-L14 HydrophobicContact CZ-CD2 4.49Å; F10-L14 HydrophobicContact CZ-CG 4.48Å; F10-L14 WeakPolarHBondContact O-CG 3.38Å; F10-L14 PolarHBondContact O-N 3.33Å; V11-L14 PolarHBondContact O-N 3.31Å; L14-L16 PolarHBondContact O-N 2.94Å; L14-Y17 WeakPolarHBondContact O-CB 3.34Å; L14-Y17 PolarHBondContact O-N 2.74Å; L14-Y17 VanDerWaalsContact O-N 3.16Å; L14-D18 PolarHBondContact O-N 3.39Å
15L79.5Confident71.4Confident112 Ų112106.7 Ų106.759%0.58654%0.544SS*.Hα-helixtrans-62.8-41.4175.8-69.4173.1000112.1V11 V12 L13 Y17 D18 E19V11-L15 HydrophobicContact CG1-CD1 4.06Å; V11-L15 HydrophobicContact CG1-CG 4.42Å; V11-L15 VanDerWaalsContact O-CG 3.29Å; V11-L15 WeakPolarHBondContact O-CG 3.14Å; V11-L15 PolarHBondContact O-N 3.12Å; V12-L15 PolarHBondContact O-N 2.74Å; L13-L15 VanDerWaalsContact C-N 3.35Å; L13-L15 PolarHBondContact O-N 3.29Å; L15-Y17 VanDerWaalsContact C-N 3.34Å; L15-D18 PolarHBondContact O-N 3.08Å; L15-E19 WeakPolarHBondContact O-CB 3.43Å; L15-E19 PolarHBondContact O-N 3.38Å
16L81.1Confident70.7Confident83 Ų83100.9 Ų100.944%0.43554%0.537SS..Hα-helixtrans-64.9-37.3173.2-77.3164.1000111.7V12 L13 L14 E19 I20V12-L16 HydrophobicContact CG1-CD1 3.98Å; V12-L16 WeakPolarHBondContact O-CB 3.48Å; V12-L16 WeakPolarHBondContact O-CG 3.44Å; V12-L16 PolarHBondContact O-N 3.37Å; L13-L16 PolarHBondContact O-N 2.8Å; L14-L16 PolarHBondContact O-N 2.94Å; L16-E19 PolarHBondContact O-N 3.38Å; L16-I20 WeakPolarHBondContact O-CB 3.48Å; L16-I20 WeakPolarHBondContact O-CD1 3.49Å; L16-I20 WeakPolarHBondContact O-CG1 3.2Å; L16-I20 PolarHBondContact O-N 3.46Å
17Y77.9Confident69.9Low84 Ų84105 Ų10533%0.32955%0.55SS..Hα-helixtrans-65.8-45.4175.3-89.7-68.9000112.2L13 L14 L15 E19 I20 L21 F174L13-Y17 HydrophobicContact CD2-CD2 4.5Å; L13-Y17 HydrophobicContact CD2-CE2 3.85Å; L13-Y17 WeakPolarHBondContact O-CD2 3.5Å; L13-Y17 PolarHBondContact O-N 2.94Å; L14-Y17 WeakPolarHBondContact O-CB 3.34Å; L14-Y17 PolarHBondContact O-N 2.74Å; L14-Y17 VanDerWaalsContact O-N 3.16Å; L15-Y17 VanDerWaalsContact C-N 3.34Å; Y17-E19 VanDerWaalsContact C-N 3.28Å; Y17-E19 PolarHBondContact O-N 3.45Å; Y17-I20 PolarHBondContact O-N 3.21Å; Y17-L21 WeakPolarHBondContact O-CB 3.38Å; Y17-L21 PolarHBondContact O-N 3.2Å; Y17-F174 HydrophobicContact CD2-CE2 4.41Å; Y17-F174 AromaticContact CE1-CE2 3.81Å; Y17-F174 HydrophobicContact CE1-CE2 3.81Å; Y17-F174 HydrophobicContact CE1-CZ 4.07Å; Y17-F174 HydrophobicContact CE2-CD2 4.41Å; Y17-F174 AromaticContact CE2-CE2 3.5Å; Y17-F174 HydrophobicContact CE2-CE2 3.5Å; Y17-F174 VanDerWaalsContact CE2-CE2 3.5Å; Y17-F174 HydrophobicContact CE2-CZ 4.12Å; Y17-F174 AromaticContact CZ-CE2 3.2Å; Y17-F174 AromaticContact CZ-CZ 3.45Å; Y17-F174 VanDerWaalsContact CZ-CZ 3.45Å; Y17-F174 WeakPolarHBondContact OH-CE2 2.97Å; Y17-F174 WeakPolarHBondContact OH-CZ 3.17Å
18D77.6Confident68.5Low107 Ų107103.2 Ų103.257%0.57256%0.558SS**Hα-helixtrans-61.1-39.6174.6-87.1-32.6000110.5L14 L15 I20 L21 A22L14-D18 PolarHBondContact O-N 3.39Å; L15-D18 PolarHBondContact O-N 3.08Å; D18-I20 PolarHBondContact O-N 3.46Å; D18-L21 PolarHBondContact O-N 2.99Å; D18-A22 WeakPolarHBondContact O-CA 3.42Å; D18-A22 WeakPolarHBondContact O-CB 3.16Å; D18-A22 PolarHBondContact O-N 3.44Å
19E76.1Confident67.1Low101 Ų101110 Ų11047%0.47258%0.58SS.*Hα-helixtrans-65.9-36.9175.6-149.7-147.7141.400112.7L15 L16 Y17 K23L15-E19 WeakPolarHBondContact O-CB 3.43Å; L15-E19 PolarHBondContact O-N 3.38Å; L16-E19 PolarHBondContact O-N 3.38Å; Y17-E19 VanDerWaalsContact C-N 3.28Å; Y17-E19 PolarHBondContact O-N 3.45Å; E19-K23 PolarHBondContact O-N 2.91Å; E19-K23 WeakPolarHBondContact OE1-CE 3.1Å; E19-K23 IonicContact OE1-NZ 2.74Å; E19-K23 PolarHBondContact OE1-NZ 2.96Å
20I72.3Confident65.4Low114 Ų114108.8 Ų108.859%0.58559%0.592SS**Hα-helixtrans-73.6-35.3177.4-66.9164.3000111.4L16 Y17 D18L16-I20 WeakPolarHBondContact O-CB 3.48Å; L16-I20 WeakPolarHBondContact O-CD1 3.49Å; L16-I20 WeakPolarHBondContact O-CG1 3.2Å; L16-I20 PolarHBondContact O-N 3.46Å; Y17-I20 PolarHBondContact O-N 3.21Å; D18-I20 PolarHBondContact O-N 3.46Å
21L64.2Low64Low111 Ų111110.3 Ų110.358%0.58160%0.604SS**Hα-helixtrans-78.7-34.1176.1-103.881.3000112.7Y17 D18 K23Y17-L21 WeakPolarHBondContact O-CB 3.38Å; Y17-L21 PolarHBondContact O-N 3.2Å; D18-L21 PolarHBondContact O-N 2.99Å; L21-K23 VanDerWaalsContact C-N 3.27Å; L21-K23 PolarHBondContact O-N 3.49Å
22A61.1Low62.2Low75 Ų75112.2 Ų112.262%0.6262%0.62SS**SBendtrans-81.2-1.1-179.200000113.4D18 P24D18-A22 WeakPolarHBondContact O-CA 3.42Å; D18-A22 WeakPolarHBondContact O-CB 3.16Å; D18-A22 PolarHBondContact O-N 3.44Å; A22-P24 WeakPolarHBondContact O-CD 3.35Å
23K58.7Low60.5Low136 Ų136117.3 Ų117.359%0.59164%0.636SS**SBendtrans-81.996.2163.1-81.3173.3-175156.30108.8E19 L21 K25E19-K23 PolarHBondContact O-N 2.91Å; E19-K23 WeakPolarHBondContact OE1-CE 3.1Å; E19-K23 IonicContact OE1-NZ 2.74Å; E19-K23 PolarHBondContact OE1-NZ 2.96Å; L21-K23 VanDerWaalsContact C-N 3.27Å; L21-K23 PolarHBondContact O-N 3.49Å; K23-K25 PolarHBondContact O-N 3.21Å; K23-K25 VanDerWaalsContact O-N 3.1Å
24P49.8Very low58.9Low108 Ų108125.2 Ų125.270%0.70166%0.661SS**  trans-58.1122.1171.226-34.7000107.8A22 S26A22-P24 WeakPolarHBondContact O-CD 3.35Å; P24-S26 VanDerWaalsContact C-N 3.27Å; P24-S26 PolarHBondContact O-N 2.86Å
25K47.4Very low57.4Low182 Ų182126.1 Ų126.179%0.79167%0.672SS**  trans-50.394.6166.7-84.1-176.7166.4-171.10108.5K23K23-K25 PolarHBondContact O-N 3.21Å; K23-K25 VanDerWaalsContact O-N 3.1Å
26S48.4Very low55.7Low95 Ų95126.4 Ų126.466%0.66468%0.683SS**  trans-116.1110.3164.9670000107.5P24P24-S26 VanDerWaalsContact C-N 3.27Å; P24-S26 PolarHBondContact O-N 2.86Å
27K48.6Very low54.2Low205 Ų205129.5 Ų129.589%0.89170%0.698SS**SBendtrans73.2128.8157.1-57.9177.8-179.8177.60116.9
28G40.7Very low53Low71 Ų71130.2 Ų130.273%0.73272%0.716SS**  trans-74.3157.5-165.500000114.5
29F45.2Very low51.7Low212 Ų212134.4 Ų134.493%0.9373%0.729SS**  trans-129.692.1159.2-112.3-93.3000107.7
30G42.4Very low50.5Low71 Ų71133.1 Ų133.173%0.73273%0.729SS**  trans-85.5116.4155.800000108.2
31L46.8Very low49.2Very low142 Ų142136.9 Ų136.974%0.74374%0.742SS**  trans-167.599.5150-138.970.5000105.8
32S44.3Very low48.4Very low107 Ų107141.1 Ų141.175%0.74875%0.751SS**  40.378.482.5-167.90000113
33K46.9Very low47.6Very low189 Ų189148.2 Ų148.282%0.82276%0.762SS**  trans-138102.3135.7-76.7-167179.31760107.9P35K33-P35 WeakPolarHBondContact O-CD 3.41Å
34R46.7Very low46.8Very low240 Ų240152 Ų15291%0.90677%0.774SS**  trans-62.5121.7154.7-75.3178.5172.9-176.4-1.7106.8
35P49.4Very low46.7Very low104 Ų104152 Ų15268%0.67578%0.776SS**  trans-82.5110.1150.917.10.2000106.1K33 I37K33-P35 WeakPolarHBondContact O-CD 3.41Å; P35-I37 HydrophobicContact CB-CG1 4.46Å; P35-I37 PolarHBondContact O-N 3.43Å
36S43.7Very low46.4Very low117 Ų117146.8 Ų146.882%0.81877%0.774SS**  trans-61.187.815846.60000107.9S38S36-S38 VanDerWaalsContact C-N 3.32Å; S36-S38 PolarHBondContact O-N 3.45Å; S36-S38 VanDerWaalsContact O-N 3.08Å
37I49.5Very low46Very low148 Ų148153.9 Ų153.976%0.75979%0.787SS**  trans-75.597.3164.4-73.7173.4000106.1P35 K39P35-I37 HydrophobicContact CB-CG1 4.46Å; P35-I37 PolarHBondContact O-N 3.43Å; I37-K39 PolarHBondContact O-N 3.03Å
38S52.5Low46Very low100 Ų100149.3 Ų149.370%0.69978%0.78SS**  trans-48.5122.2164.747.40000109.8S36 P40S36-S38 VanDerWaalsContact C-N 3.32Å; S36-S38 PolarHBondContact O-N 3.45Å; S36-S38 VanDerWaalsContact O-N 3.08Å; S38-P40 WeakPolarHBondContact O-CD 3.45Å
39K50.5Low46.5Very low195 Ų195150.7 Ų150.785%0.84878%0.779SS**  trans-49.8124.8165.6-62.7173.4179.3175.10109.4I37I37-K39 PolarHBondContact O-N 3.03Å
40P52.1Low46.8Very low74 Ų74146 Ų14648%0.48177%0.767SS.*  trans-85.3114.315532.1-26.7000108.7S38 Y42S38-P40 WeakPolarHBondContact O-CD 3.45Å; P40-Y42 HydrophobicContact CB-CD1 4.23Å; P40-Y42 HydrophobicContact CB-CD2 4.36Å; P40-Y42 HydrophobicContact CB-CE1 3.49Å; P40-Y42 VanDerWaalsContact CB-CE1 3.49Å; P40-Y42 HydrophobicContact CB-CE2 3.64Å; P40-Y42 WeakPolarHBondContact CB-OH 3.48Å; P40-Y42 HydrophobicContact CG-CD2 4.46Å; P40-Y42 HydrophobicContact CG-CE1 4.24Å; P40-Y42 HydrophobicContact CG-CE2 3.51Å; P40-Y42 WeakPolarHBondContact CG-OH 3.27Å; P40-Y42 PolarHBondContact O-N 3.47Å
41K44.2Very low46.9Very low193 Ų193151.8 Ų151.884%0.83977%0.773SS**  trans-71105.6160.3-88.3176.2174.1169.40107
42Y47.1Very low46.9Very low200 Ų200149.2 Ų149.278%0.78477%0.766SS**  trans-107.6109.9156.4-31-75.9000107.3P40P40-Y42 HydrophobicContact CB-CD1 4.23Å; P40-Y42 HydrophobicContact CB-CD2 4.36Å; P40-Y42 HydrophobicContact CB-CE1 3.49Å; P40-Y42 VanDerWaalsContact CB-CE1 3.49Å; P40-Y42 HydrophobicContact CB-CE2 3.64Å; P40-Y42 WeakPolarHBondContact CB-OH 3.48Å; P40-Y42 HydrophobicContact CG-CD2 4.46Å; P40-Y42 HydrophobicContact CG-CE1 4.24Å; P40-Y42 HydrophobicContact CG-CE2 3.51Å; P40-Y42 WeakPolarHBondContact CG-OH 3.27Å; P40-Y42 PolarHBondContact O-N 3.47Å
43R45.6Very low47.1Very low224 Ų224155.6 Ų155.685%0.84577%0.774SS**  trans-79.1148.6163.8-76.3-178.3-179.4166.5-0.5108.2
44Y41.4Very low47.1Very low216 Ų216157.8 Ų157.885%0.84778%0.777SS**  trans95.6138.1137.7-127.6-99.5000119.8
45S47.4Very low47.1Very low106 Ų106151.3 Ų151.374%0.74177%0.769SS**  trans64113.5170.362.20000115.2
46G40.7Very low47.2Very low73 Ų73150.4 Ų150.475%0.75378%0.778SS**  cis88.986.939.900000109
47R40.8Very low47.9Very low245 Ų245148.9 Ų148.993%0.92576%0.76SS**  trans-180123.8142-115.1172.4174.6169.3-0.9110.8S49R47-S49 PolarHBondContact O-N 3.45Å
48S49Very low48.2Very low109 Ų109145.6 Ų145.676%0.76275%0.75SS**  trans-55.9110.815641.10000109.2V50S48-V50 VanDerWaalsContact C-N 3.34Å; S48-V50 PolarHBondContact O-N 2.91Å; S48-V50 VanDerWaalsContact O-N 3.16Å
49S50.1Low48.6Very low99 Ų99146.7 Ų146.769%0.69275%0.748SS**  trans-82.488.5165.758.80000108.3R47 F51R47-S49 PolarHBondContact O-N 3.45Å; S49-F51 PolarHBondContact O-N 3.45Å; S49-F51 VanDerWaalsContact O-N 3.15Å
50V51.7Low49.3Very low113 Ų113142.4 Ų142.469%0.68574%0.743SS**  trans-56.3113.2155.3178.70000106S48 S52S48-V50 VanDerWaalsContact C-N 3.34Å; S48-V50 PolarHBondContact O-N 2.91Å; S48-V50 VanDerWaalsContact O-N 3.16Å; V50-S52 PolarHBondContact O-N 2.9Å
51F43.8Very low49.6Very low194 Ų194147.7 Ų147.785%0.85175%0.753SS**  trans-6484.9173.7-102.6-90.3000109S49 R53S49-F51 PolarHBondContact O-N 3.45Å; S49-F51 VanDerWaalsContact O-N 3.15Å; F51-R53 PolarHBondContact O-N 3.28Å
52S46.8Very low50.2Low88 Ų88143.3 Ų143.362%0.61573%0.734SS**  trans-84.899.2168.3-600000107V50 R54V50-S52 PolarHBondContact O-N 2.9Å; S52-R54 VanDerWaalsContact C-N 3.25Å; S52-R54 PolarHBondContact O-N 3.22Å
53R49.1Very low50.7Low241 Ų241142 Ų14291%0.90973%0.733SS**  trans-65.787169.6-65.1-173.4-164.8-167.44.6108.5F51F51-R53 PolarHBondContact O-N 3.28Å
54R47.1Very low51.4Low235 Ų235134.9 Ų134.989%0.88772%0.722SS**  trans-87.2106.1165.6-81.6-172.5177.7-134.4-0108.3S52 G56S52-R54 VanDerWaalsContact C-N 3.25Å; S52-R54 PolarHBondContact O-N 3.22Å; R54-G56 PolarHBondContact O-N 3.18Å
55S47.2Very low52.1Low104 Ų104128.7 Ų128.773%0.72770%0.703SS**  trans-65.9108.2167.919.20000109.3L57S55-L57 PolarHBondContact O-N 2.95Å
56G51.7Low52.4Low85 Ų85131.2 Ų131.288%0.87670%0.701SS**  trans-74.945.717800000114.3R54 S58R54-G56 PolarHBondContact O-N 3.18Å; G56-S58 PolarHBondContact O-N 3.34Å
57L56.7Low53.2Low84 Ų84136.6 Ų136.644%0.4470%0.704SS.*  trans-81.2119.7172.3-95.8103.3000110.8S55 N59 R61 L65S55-L57 PolarHBondContact O-N 2.95Å; L57-N59 PolarHBondContact O-N 3.46Å; L57-R61 HydrophobicContact CD2-CB 4Å; L57-L65 HydrophobicContact CD2-CD1 4.27Å
58S56.4Low54.1Low79 Ų79126.9 Ų126.955%0.55268%0.676SS**  trans-42.4132.2167.8170.10000111.2G56 S60 R61G56-S58 PolarHBondContact O-N 3.34Å; S58-S60 PolarHBondContact O-N 3.16Å; S58-R61 PolarHBondContact O-N 2.83Å
59N62Low54.5Low123 Ų123124.4 Ų124.466%0.65866%0.662SS**THydrogen-bonded Turntrans-55.4-23.8-177.3-80.1-29.9000113.2L57 R61 K62L57-N59 PolarHBondContact O-N 3.46Å; N59-R61 VanDerWaalsContact C-N 3.31Å; N59-R61 PolarHBondContact O-N 3.43Å; N59-K62 PolarHBondContact O-N 2.93Å; N59-K62 WeakPolarHBondContact OD1-CE 3.29Å; N59-K62 PolarHBondContact OD1-NZ 2.9Å
60S64.4Low55Low105 Ų105122.1 Ų122.173%0.73465%0.654SS**THydrogen-bonded Turntrans-72.9-21177.3-148.50000113.7S58S58-S60 PolarHBondContact O-N 3.16Å
61R59.2Low55.5Low185 Ų185119.6 Ų119.670%0.69865%0.645SS**THydrogen-bonded Turntrans-92.2-12.6177.2-73.5-173.7173.1-163.1-1.9113.9L57 S58 N59 K63 A64L57-R61 HydrophobicContact CD2-CB 4Å; S58-R61 PolarHBondContact O-N 2.83Å; N59-R61 VanDerWaalsContact C-N 3.31Å; N59-R61 PolarHBondContact O-N 3.43Å; R61-K63 PolarHBondContact O-N 3.27Å; R61-A64 PolarHBondContact O-N 3.49Å
62K56.3Low56.3Low101 Ų101116.4 Ų116.444%0.43964%0.636SS.*G310 helixtrans-64.1-27.9176.4-73.1179.6-178.81670113.1N59 A64 L65N59-K62 PolarHBondContact O-N 2.93Å; N59-K62 WeakPolarHBondContact OD1-CE 3.29Å; N59-K62 PolarHBondContact OD1-NZ 2.9Å; K62-A64 VanDerWaalsContact C-N 3.3Å; K62-A64 PolarHBondContact O-N 3.26Å; K62-L65 PolarHBondContact O-N 2.84Å
63K57.9Low57Low174 Ų174114.7 Ų114.776%0.75763%0.628SS**G310 helixtrans-67.3-29.3178.3-67.6-170177.8-172.40113R61 L65R61-K63 PolarHBondContact O-N 3.27Å; K63-L65 VanDerWaalsContact C-N 3.32Å
64A60.6Low57.6Low73 Ų73105.4 Ų105.460%0.60361%0.607SS**G310 helixtrans-75.3-22174.800000113R61 K62 F66R61-A64 PolarHBondContact O-N 3.49Å; K62-A64 VanDerWaalsContact C-N 3.3Å; K62-A64 PolarHBondContact O-N 3.26Å; A64-F66 VanDerWaalsContact C-N 3.31Å; A64-F66 PolarHBondContact O-N 2.94Å
65L56.1Low58.4Low87 Ų8799 Ų9946%0.45559%0.594SS.*Hα-helixtrans-74.4-15.5-179.7-80.7171.5000113.8L57 K62 K63 F67 A68 A69L57-L65 HydrophobicContact CD2-CD1 4.27Å; K62-L65 PolarHBondContact O-N 2.84Å; K63-L65 VanDerWaalsContact C-N 3.32Å; L65-F67 VanDerWaalsContact C-N 3.34Å; L65-F67 PolarHBondContact O-N 2.91Å; L65-A68 HydrophobicContact CD2-CB 4.04Å; L65-A68 CarbonylContact O-C 3.58Å; L65-A68 PolarHBondContact O-N 3.16Å; L65-A69 VanDerWaalsContact O-CB 3.32Å; L65-A69 WeakPolarHBondContact O-CB 3.48Å; L65-A69 PolarHBondContact O-N 3.47Å
66F54Low59.3Low159 Ų159100.6 Ų100.670%0.69758%0.584SS**Hα-helixtrans-66.2-37.6176.5-73.3-73.5000112.3A64 A68 G70A64-F66 VanDerWaalsContact C-N 3.31Å; A64-F66 PolarHBondContact O-N 2.94Å; F66-A68 VanDerWaalsContact C-N 3.33Å; F66-G70 PolarHBondContact O-N 2.86Å
67F56.9Low59.7Low185 Ų185101.5 Ų101.581%0.81157%0.568SS**Hα-helixtrans-68.5-34.1172.2-71-72.7000111.9L65 A71L65-F67 VanDerWaalsContact C-N 3.34Å; L65-F67 PolarHBondContact O-N 2.91Å; F67-A71 PolarHBondContact O-N 2.74Å
68A58.7Low59.9Low41 Ų4199.5 Ų99.534%0.33957%0.568SS.*Hα-helixtrans-73.3-35.3176.900000113.4L65 F66 A71 L72L65-A68 HydrophobicContact CD2-CB 4.04Å; L65-A68 CarbonylContact O-C 3.58Å; L65-A68 PolarHBondContact O-N 3.16Å; F66-A68 VanDerWaalsContact C-N 3.33Å; A68-A71 PolarHBondContact O-N 3.15Å; A68-L72 WeakPolarHBondContact O-CG 3.28Å; A68-L72 PolarHBondContact O-N 3.41Å; A68-L72 VanDerWaalsContact O-N 3.11Å
69A56.9Low60Low58 Ų5899.3 Ų99.348%0.47957%0.567SS.*Hα-helixtrans-70.2-38.4-178.700000112.2L65 L72 A73L65-A69 VanDerWaalsContact O-CB 3.32Å; L65-A69 WeakPolarHBondContact O-CB 3.48Å; L65-A69 PolarHBondContact O-N 3.47Å; A69-L72 PolarHBondContact O-N 3.49Å; A69-A73 PolarHBondContact O-N 3.44Å
70G60.9Low59.8Low50 Ų50101.6 Ų101.652%0.51557%0.566SS.*Hα-helixtrans-63.3-40.8173.700000112.7F66 A73 G74F66-G70 PolarHBondContact O-N 2.86Å; G70-A73 PolarHBondContact O-N 2.84Å; G70-G74 PolarHBondContact O-N 3.39Å
71A62.5Low59.5Low61 Ų61104.2 Ų104.250%0.50457%0.569SS.*Hα-helixtrans-64-41175.800000112.2F67 A68 G74 V75F67-A71 PolarHBondContact O-N 2.74Å; A68-A71 PolarHBondContact O-N 3.15Å; A71-G74 PolarHBondContact O-N 3.32Å; A71-V75 VanDerWaalsContact O-CG2 3.29Å; A71-V75 WeakPolarHBondContact O-CG2 2.87Å; A71-V75 PolarHBondContact O-N 3.17Å
72L61.3Low59.3Low127 Ų127106 Ų10667%0.66558%0.575SS**Hα-helixtrans-67.7-36.4177.5-70.3175.1000112.9A68 A69 V75 Y76A68-L72 WeakPolarHBondContact O-CG 3.28Å; A68-L72 PolarHBondContact O-N 3.41Å; A68-L72 VanDerWaalsContact O-N 3.11Å; A69-L72 PolarHBondContact O-N 3.49Å; L72-V75 PolarHBondContact O-N 3.49Å; L72-Y76 PolarHBondContact O-N 3.48Å
73A61Low59.3Low52 Ų52104.9 Ų104.943%0.4358%0.58SS.*Hα-helixtrans-66.8-40.3174.600000112A69 G70 Y76 I77A69-A73 PolarHBondContact O-N 3.44Å; G70-A73 PolarHBondContact O-N 2.84Å; A73-Y76 PolarHBondContact O-N 2.82Å; A73-I77 WeakPolarHBondContact O-CG1 3.44Å; A73-I77 PolarHBondContact O-N 3.29Å
74G62.3Low59.2Low46 Ų46104.6 Ų104.647%0.47458%0.581SS.*Hα-helixtrans-63-39.6174.100000113G70 A71 Y76 G78G70-G74 PolarHBondContact O-N 3.39Å; A71-G74 PolarHBondContact O-N 3.32Å; G74-Y76 VanDerWaalsContact C-N 3.35Å; G74-G78 PolarHBondContact O-N 3.1Å
75V62.7Low59.2Low101 Ų101104.3 Ų104.361%0.61257%0.572SS**Hα-helixtrans-65.1-37.8173.7173.70000111.2A71 L72 S79A71-V75 VanDerWaalsContact O-CG2 3.29Å; A71-V75 WeakPolarHBondContact O-CG2 2.87Å; A71-V75 PolarHBondContact O-N 3.17Å; L72-V75 PolarHBondContact O-N 3.49Å; V75-S79 WeakPolarHBondContact O-CB 3.15Å; V75-S79 PolarHBondContact O-N 3.37Å; V75-S79 PolarHBondContact O-OG 2.94Å
76Y67.2Low59.4Low136 Ų136107 Ų10753%0.53358%0.582SS.*Hα-helixtrans-69.6-39.7178.5-171.8-101.9000113.4L72 A73 G74 S79 R80L72-Y76 PolarHBondContact O-N 3.48Å; A73-Y76 PolarHBondContact O-N 2.82Å; G74-Y76 VanDerWaalsContact C-N 3.35Å; Y76-S79 VanDerWaalsContact CA-OG 3.32Å; Y76-S79 WeakPolarHBondContact CA-OG 3.22Å; Y76-S79 PolarHBondContact O-OG 3.35Å; Y76-R80 PolarHBondContact O-N 2.88Å; Y76-R80 PolarHBondContact OH-NH2 3.33Å
77I60.4Low60Low104 Ų104103.4 Ų103.453%0.53357%0.569SS.*Hα-helixtrans-74.2-40.4177.4-63.2167.6000110.4A73 S79 R80A73-I77 WeakPolarHBondContact O-CG1 3.44Å; A73-I77 PolarHBondContact O-N 3.29Å; I77-S79 VanDerWaalsContact C-N 3.28Å; I77-S79 PolarHBondContact O-N 3.25Å; I77-R80 PolarHBondContact O-N 3.42Å; I77-R80 VanDerWaalsContact O-N 3.11Å
78G60.3Low60.4Low42 Ų42105.9 Ų105.943%0.43357%0.573SS.*Hα-helixtrans-64.8-30.4175.800000113.6G74 R80 M81G74-G78 PolarHBondContact O-N 3.1Å; G78-R80 VanDerWaalsContact C-N 3.3Å; G78-R80 PolarHBondContact O-N 3.31Å; G78-M81 PolarHBondContact O-N 2.93Å
79S59.2Low61.1Low76 Ų76107.2 Ų107.253%0.53158%0.58SS.*Hα-helixtrans-75-15.2174.442.60000113.7V75 Y76 I77V75-S79 WeakPolarHBondContact O-CB 3.15Å; V75-S79 PolarHBondContact O-N 3.37Å; V75-S79 PolarHBondContact O-OG 2.94Å; Y76-S79 VanDerWaalsContact CA-OG 3.32Å; Y76-S79 WeakPolarHBondContact CA-OG 3.22Å; Y76-S79 PolarHBondContact O-OG 3.35Å; I77-S79 VanDerWaalsContact C-N 3.28Å; I77-S79 PolarHBondContact O-N 3.25Å
80R57.8Low61.7Low171 Ų171112.8 Ų112.865%0.64559%0.59SS**THydrogen-bonded Turntrans-87.3-9.3171-72.7-156.5-176.1-158.84.1114.6Y76 I77 G78Y76-R80 PolarHBondContact O-N 2.88Å; Y76-R80 PolarHBondContact OH-NH2 3.33Å; I77-R80 PolarHBondContact O-N 3.42Å; I77-R80 VanDerWaalsContact O-N 3.11Å; G78-R80 VanDerWaalsContact C-N 3.3Å; G78-R80 PolarHBondContact O-N 3.31Å
81M58.3Low62.2Low159 Ų159120 Ų12078%0.78360%0.602SS**SBendtrans-112.518.3-176.9-66.7-164.3-171.800114.9G78G78-M81 PolarHBondContact O-N 2.93Å
82R55Low62.5Low223 Ų223120 Ų12084%0.84259%0.593SS**  trans-127.4133.1170-82.4-178.3176.4177.3-0.4109.6
83S55.7Low63.1Low77 Ų77116.1 Ų116.154%0.53857%0.573SS.*  cis-152.3138.42.451.60000109.3V85S83-V85 PolarHBondContact O-N 2.85Å
84H55.8Low63.5Low168 Ų168122.6 Ų122.678%0.77859%0.587SS**SBendtrans-48.3126144.7-81.3-84.7000107H86H84-H86 PolarHBondContact O-CD2 2.89Å; H84-H86 PolarHBondContact O-N 3.22Å
85V60.5Low63.9Low68 Ų68125.8 Ų125.841%0.41259%0.594SS.*  trans-59.6101.8-173.5-171.40000108.7S83 L87 Y96S83-V85 PolarHBondContact O-N 2.85Å; V85-L87 HydrophobicContact CB-CD1 4.19Å; V85-L87 HydrophobicContact CG1-CD1 3.41Å; V85-L87 VanDerWaalsContact CG1-CD1 3.41Å; V85-L87 HydrophobicContact CG1-CG 3.99Å; V85-L87 PolarHBondContact O-N 3.49Å; V85-Y96 HydrophobicContact CG1-CE1 4.12Å; V85-Y96 HydrophobicContact CG1-CE2 4.28Å
86H60.7Low64.6Low144 Ų144123.7 Ų123.767%0.66758%0.575SS**  trans-90.780.2176.5-73.5-68.9000108.7H84 R88H84-H86 PolarHBondContact O-CD2 2.89Å; H84-H86 PolarHBondContact O-N 3.22Å; H86-R88 PolarHBondContact O-N 3.32Å
87L66.5Low65.4Low82 Ų82120.4 Ų120.443%0.42956%0.564SS.*  trans-64.5102.6170.6-72.7107.8000109.4V85 L93V85-L87 HydrophobicContact CB-CD1 4.19Å; V85-L87 HydrophobicContact CG1-CD1 3.41Å; V85-L87 VanDerWaalsContact CG1-CD1 3.41Å; V85-L87 HydrophobicContact CG1-CG 3.99Å; V85-L87 PolarHBondContact O-N 3.49Å; L87-L93 HydrophobicContact CD2-CB 4.07Å; L87-L93 HydrophobicContact CD2-CD1 3.61Å; L87-L93 HydrophobicContact CD2-CG 4.38Å
88R65.8Low66.5Low238 Ų238119 Ų11990%0.89856%0.561SS**  trans-88.2-21.5173.4-79.8-173.3176.6147.9-1.6113.4H86H86-R88 PolarHBondContact O-N 3.32Å
89S72.2Confident67.8Low68 Ų68117.1 Ų117.148%0.47654%0.541SS..SBendtrans-153.5147.7-175.1179.10000110.7R91 D92S89-R91 PolarHBondContact O-N 3.38Å; S89-R91 VanDerWaalsContact O-N 3.13Å; S89-R91 PolarHBondContact OG-N 3.42Å; S89-D92 WeakPolarHBondContact O-CB 3.3Å; S89-D92 PolarHBondContact O-N 3.22Å
90Y70Confident69Low176 Ų176118.4 Ų118.469%0.6954%0.539SS*.G310 helixtrans-57.7-25.2175.7-163.6-95.7000112.8D92 L93Y90-D92 VanDerWaalsContact C-N 3.26Å; Y90-D92 PolarHBondContact O-N 3.41Å; Y90-L93 HydrophobicContact CD2-CD2 4.3Å; Y90-L93 HydrophobicContact CE2-CD2 3.94Å; Y90-L93 VanDerWaalsContact O-CB 3.28Å; Y90-L93 WeakPolarHBondContact O-CB 3.35Å; Y90-L93 PolarHBondContact O-N 3.49Å
91R70.6Confident70.1Confident202 Ų202110.8 Ų110.876%0.76251%0.513SS*.G310 helixtrans-66.1-27.8174.9-72.9-151.4178.6177.92.1113.6S89 L93 Y94S89-R91 PolarHBondContact O-N 3.38Å; S89-R91 VanDerWaalsContact O-N 3.13Å; S89-R91 PolarHBondContact OG-N 3.42Å; R91-L93 PolarHBondContact O-N 3.01Å; R91-Y94 PolarHBondContact O-N 3.45Å
92D68.9Low71Confident59 Ų59109.5 Ų109.532%0.31651%0.505SS..G310 helixtrans-74.9-20.8178.5-148.40.7000111.4S89 Y90 Y94 N95 Y96S89-D92 WeakPolarHBondContact O-CB 3.3Å; S89-D92 PolarHBondContact O-N 3.22Å; Y90-D92 VanDerWaalsContact C-N 3.26Å; Y90-D92 PolarHBondContact O-N 3.41Å; D92-Y94 PolarHBondContact O-N 3.18Å; D92-N95 WeakPolarHBondContact O-CB 3.46Å; D92-N95 PolarHBondContact O-N 3.41Å; D92-N95 PolarHBondContact OD1-ND2 2.77Å; D92-N95 VanDerWaalsContact OD1-ND2 3.07Å; D92-Y96 WeakPolarHBondContact O-CD2 3.44Å; D92-Y96 WeakPolarHBondContact O-CE2 3.39Å
93L73.7Confident71.8Confident47 Ų47102.8 Ų102.825%0.24648%0.479CS..G310 helixtrans-65.5-23.8175.8-168.464.8000112.4L87 Y90 R91 N95 Y96 L120L87-L93 HydrophobicContact CD2-CB 4.07Å; L87-L93 HydrophobicContact CD2-CD1 3.61Å; L87-L93 HydrophobicContact CD2-CG 4.38Å; Y90-L93 HydrophobicContact CD2-CD2 4.3Å; Y90-L93 HydrophobicContact CE2-CD2 3.94Å; Y90-L93 VanDerWaalsContact O-CB 3.28Å; Y90-L93 WeakPolarHBondContact O-CB 3.35Å; Y90-L93 PolarHBondContact O-N 3.49Å; R91-L93 PolarHBondContact O-N 3.01Å; L93-N95 PolarHBondContact O-N 2.77Å; L93-Y96 PolarHBondContact O-N 3.31Å; L93-L120 HydrophobicContact CD1-CD2 3.86Å
94Y70.7Confident72.9Confident188 Ų188103.6 Ų103.674%0.73748%0.482SS*.G310 helixtrans-64.5-18.2175.7-83.1-84.7000113.7R91 D92 Y96R91-Y94 PolarHBondContact O-N 3.45Å; D92-Y94 PolarHBondContact O-N 3.18Å; Y94-Y96 VanDerWaalsContact C-N 3.32Å
95N71.1Confident73.8Confident113 Ų113100.9 Ų100.960%0.60447%0.469SS*.G310 helixtrans-82.5-12.5176.6-65.2-37.7000113D92 L93D92-N95 WeakPolarHBondContact O-CB 3.46Å; D92-N95 PolarHBondContact O-N 3.41Å; D92-N95 PolarHBondContact OD1-ND2 2.77Å; D92-N95 VanDerWaalsContact OD1-ND2 3.07Å; L93-N95 PolarHBondContact O-N 2.77Å
96Y77Confident74.6Confident57 Ų57103.6 Ų103.622%0.22448%0.476CS..SBendtrans-113.8131.7-176.7-58.2-89.5000109.5V85 D92 L93 Y94 C121V85-Y96 HydrophobicContact CG1-CE1 4.12Å; V85-Y96 HydrophobicContact CG1-CE2 4.28Å; D92-Y96 WeakPolarHBondContact O-CD2 3.44Å; D92-Y96 WeakPolarHBondContact O-CE2 3.39Å; L93-Y96 PolarHBondContact O-N 3.31Å; Y94-Y96 VanDerWaalsContact C-N 3.32Å; Y96-C121 WeakPolarHBondContact CD1-O 3.09Å
97E83.1Confident75.4Confident66 Ų6698.3 Ų98.331%0.30845%0.452SS..EExtended strand (participates in β ladder)trans-90.5128.8172.1-160.4165.9-168.400108.1C121 Y132 C133 K150E97-C121 PolarHBondContact O-N 2.92Å; E97-C121 VanDerWaalsContact O-N 3.08Å; E97-Y132 WeakPolarHBondContact OE2-CA 3.29Å; E97-Y132 WeakPolarHBondContact OE2-CD1 3.17Å; E97-C133 HydrophobicContact CG-CB 3.89Å; E97-C133 PolarHBondContact OE2-N 3.43Å; E97-K150 VanDerWaalsContact CD-NZ 3.34Å; E97-K150 IonicContact OE1-NZ 2.89Å; E97-K150 PolarHBondContact OE1-NZ 2.82Å; E97-K150 IonicContact OE2-NZ 2.9Å; E97-K150 PolarHBondContact OE2-NZ 3.5Å
98V84.4Confident75.7Confident76 Ų76101.2 Ų101.246%0.46147%0.468SS..EExtended strand (participates in β ladder)trans-83.9127.1174.5-179.60000108.3Y118 L120V98-Y118 HydrophobicContact CG1-CD1 4.16Å; V98-L120 HydrophobicContact CG2-CG 4.46Å
99C87Confident76.2Confident1 Ų195 Ų951%0.00746%0.461CS..EExtended strand (participates in β ladder)trans-105.4142.8174-790000111.4Y118 F119 C121 C133C99-Y118 CarbonylContact O-C 3.54Å; C99-Y118 VanDerWaalsContact O-CA 3.22Å; C99-Y118 WeakPolarHBondContact O-CA 3.48Å; C99-F119 HydrophobicContact CB-CD1 3.92Å; C99-F119 HydrophobicContact CB-CD2 4.05Å; C99-F119 HydrophobicContact CB-CE1 3.42Å; C99-F119 VanDerWaalsContact CB-CE1 3.42Å; C99-F119 HydrophobicContact CB-CE2 3.57Å; C99-F119 HydrophobicContact CB-CG 4.21Å; C99-F119 HydrophobicContact CB-CZ 3.21Å; C99-F119 PolarHBondContact N-O 3.07Å; C99-F119 PolarHBondContact O-N 3.34Å; C99-C121 PolarHBondContact SG-SG 3.38Å; C99-C133 WeakPolarHBondContact CA-SG 3.3Å; C99-C133 HydrophobicContact CB-CB 4.22Å; C99-C133 WeakPolarHBondContact CB-SG 3.47Å; C99-C133 WeakPolarHBondContact SG-CA 3.27Å; C99-C133 WeakPolarHBondContact SG-CB 3.19Å; C99-C133 CovalentContact SG-SG 2.02Å; C99-C133 PolarHBondContact SG-SG 2.86Å
100E85.2Confident76.4Confident104 Ų10495 Ų9549%0.48646%0.458SS..EExtended strand (participates in β ladder)trans-82.3129.4164.1-82.8173.7-158.800109.9Y118 W135 G142E100-Y118 HydrophobicContact CG-CD1 3.63Å; E100-Y118 HydrophobicContact CG-CE1 3.3Å; E100-W135 HydrophobicContact CB-CH2 4.41Å; E100-W135 HydrophobicContact CB-CZ3 3.84Å; E100-G142 WeakPolarHBondContact O-CA 2.99Å; E100-G142 PolarHBondContact O-N 3.43Å
101G80.5Confident76.8Confident10 Ų1089 Ų8910%0.10345%0.45CS..EExtended strand (participates in β ladder)trans169.1151.7174.800000111.6R103 S117G101-R103 PolarHBondContact O-N 2.8Å; G101-S117 PolarHBondContact N-O 3.4Å; G101-S117 CarbonylContact O-C 3.54Å; G101-S117 WeakPolarHBondContact O-CA 3.38Å; G101-S117 VanDerWaalsContact O-O 3.11Å
102Q75.7Confident77Confident132 Ų13284.5 Ų84.562%0.61744%0.439SS*.EExtended strand (participates in β ladder)trans-80.2106.2-178.2-170.4175-0.800109.7Y116 M141Q102-Y116 WeakPolarHBondContact CA-O 3.33Å; Q102-M141 HydrophobicContact CB-SD 4.03Å
103R72.9Confident77.6Confident82 Ų8286.3 Ų86.331%0.30945%0.452SS..EExtended strand (participates in β ladder)trans-114.2132.5173.8-65-52-164.3101.15110.7G101 T115 Y116 F119 D123G101-R103 PolarHBondContact O-N 2.8Å; R103-T115 CarbonylContact O-C 3.51Å; R103-T115 WeakPolarHBondContact O-CA 3.32Å; R103-Y116 PolarHBondContact N-O 3.46Å; R103-Y116 PolarHBondContact O-N 2.9Å; R103-F119 HydrophobicContact CB-CB 4.48Å; R103-F119 HydrophobicContact CG-CB 3.89Å; R103-F119 HydrophobicContact CG-CD1 3.6Å; R103-F119 HydrophobicContact CG-CE1 4.27Å; R103-F119 HydrophobicContact CG-CG 3.75Å; R103-D123 IonicContact CZ-OD2 3.1Å; R103-D123 IonicContact NH1-OD1 3.53Å; R103-D123 IonicContact NH1-OD2 2.62Å; R103-D123 PolarHBondContact NH1-OD2 3.49Å; R103-D123 IonicContact NH2-OD2 2.82Å; R103-D123 PolarHBondContact NH2-OD2 3.44Å
104T78.4Confident77.8Confident95 Ų9590 Ų9058%0.58346%0.463SS*.EExtended strand (participates in β ladder)trans-104.5113.1178.163.30000109R114 T115T104-R114 WeakPolarHBondContact CA-O 3.27Å; T104-T115 HydrophobicContact CG2-CG2 3.47Å; T104-T115 VanDerWaalsContact CG2-CG2 3.47Å
105E75.1Confident78.3Confident110 Ų11085.2 Ų85.251%0.51445%0.453SS..EExtended strand (participates in β ladder)trans-101.2131.8172-67-173.9177.800109.2I107 T113 R114 Y116E105-I107 PolarHBondContact O-N 2.85Å; E105-T113 WeakPolarHBondContact O-CA 3.44Å; E105-R114 PolarHBondContact N-O 3.2Å; E105-R114 PolarHBondContact O-N 3.15Å; E105-Y116 HydrophobicContact CB-CE2 4.37Å
106F76.9Confident78.7Confident126 Ų12684.5 Ų84.555%0.55344%0.443SS*.EExtended strand (participates in β ladder)trans-84111.6171.2-175.6-100.2000108.5N108 G111 T113F106-N108 VanDerWaalsContact CD1-OD1 3.24Å; F106-N108 WeakPolarHBondContact CD1-OD1 3.07Å; F106-N108 WeakPolarHBondContact CE1-OD1 3.38Å; F106-N108 PolarHBondContact O-N 3.42Å; F106-G111 WeakPolarHBondContact CE2-O 3.5Å; F106-T113 HydrophobicContact CD2-CG2 3.83Å
107I77.7Confident79Confident32 Ų3285.2 Ų85.216%0.16446%0.456CS..EExtended strand (participates in β ladder)trans-82.8101.8179.5-62-179.4000107.4E105 S109 T110 G111 M112 R114E105-I107 PolarHBondContact O-N 2.85Å; I107-S109 WeakPolarHBondContact CG2-OG 3.27Å; I107-S109 PolarHBondContact O-N 2.83Å; I107-T110 WeakPolarHBondContact CB-OG1 3.46Å; I107-T110 HydrophobicContact CG2-CG2 4.31Å; I107-T110 WeakPolarHBondContact CG2-OG1 3.46Å; I107-T110 PolarHBondContact O-N 2.83Å; I107-T110 VanDerWaalsContact O-N 3.09Å; I107-G111 PolarHBondContact O-N 2.92Å; I107-M112 PolarHBondContact N-O 3.12Å; I107-M112 VanDerWaalsContact N-O 3.1Å; I107-R114 HydrophobicContact CD1-CB 3.94Å; I107-R114 VanDerWaalsContact CD1-CD 3.41Å; I107-R114 HydrophobicContact CD1-CG 3.58Å
108N73.2Confident79.1Confident144 Ų14488 Ų8877%0.7747%0.465SS*.THydrogen-bonded Turntrans-52.6-26178.8-81.73000113.5F106F106-N108 VanDerWaalsContact CD1-OD1 3.24Å; F106-N108 WeakPolarHBondContact CD1-OD1 3.07Å; F106-N108 WeakPolarHBondContact CE1-OD1 3.38Å; F106-N108 PolarHBondContact O-N 3.42Å
109S75.5Confident79.1Confident108 Ų10884.9 Ų84.976%0.75545%0.445SS*.THydrogen-bonded Turntrans-80.2-28.1-179.158.30000114.5I107I107-S109 WeakPolarHBondContact CG2-OG 3.27Å; I107-S109 PolarHBondContact O-N 2.83Å
110T76.6Confident79.1Confident66 Ų6688.1 Ų88.141%0.40546%0.462SS..THydrogen-bonded Turntrans-109.6-10.7-178.1570000113.1I107 M112I107-T110 WeakPolarHBondContact CB-OG1 3.46Å; I107-T110 HydrophobicContact CG2-CG2 4.31Å; I107-T110 WeakPolarHBondContact CG2-OG1 3.46Å; I107-T110 PolarHBondContact O-N 2.83Å; I107-T110 VanDerWaalsContact O-N 3.09Å; T110-M112 HydrophobicContact CG2-CE 4.37Å; T110-M112 PolarHBondContact O-N 2.86Å; T110-M112 VanDerWaalsContact O-N 3.14Å; T110-M112 PolarHBondContact OG1-N 3.28Å
111G78.7Confident79.1Confident51 Ų5183.1 Ų83.153%0.52644%0.439SS..THydrogen-bonded Turntrans64.710.8-173.100000113.3F106 I107F106-G111 WeakPolarHBondContact CE2-O 3.5Å; I107-G111 PolarHBondContact O-N 2.92Å
112M75.7Confident79.2Confident108 Ų10884.9 Ų84.953%0.53245%0.448SS..EExtended strand (participates in β ladder)trans-105.6141.2-179.1-64.1-168-71.200110.2I107 T110I107-M112 PolarHBondContact N-O 3.12Å; I107-M112 VanDerWaalsContact N-O 3.1Å; T110-M112 HydrophobicContact CG2-CE 4.37Å; T110-M112 PolarHBondContact O-N 2.86Å; T110-M112 VanDerWaalsContact O-N 3.14Å; T110-M112 PolarHBondContact OG1-N 3.28Å
113T81Confident79.3Confident97 Ų9781.9 Ų81.960%0.59544%0.436SS*.EExtended strand (participates in β ladder)trans-80.1123167.446.90000108.8E105 F106E105-T113 WeakPolarHBondContact O-CA 3.44Å; F106-T113 HydrophobicContact CD2-CG2 3.83Å
114R77.4Confident79.4Confident125 Ų12580.5 Ų80.547%0.47244%0.435SS..EExtended strand (participates in β ladder)trans-104.3131.7170.3-77.2-161.9-177.6157.1-7.8109.7T104 E105 I107 Y116T104-R114 WeakPolarHBondContact CA-O 3.27Å; E105-R114 PolarHBondContact N-O 3.2Å; E105-R114 PolarHBondContact O-N 3.15Å; I107-R114 HydrophobicContact CD1-CB 3.94Å; I107-R114 VanDerWaalsContact CD1-CD 3.41Å; I107-R114 HydrophobicContact CD1-CG 3.58Å; R114-Y116 HydrophobicContact CB-CE2 3.77Å
115T81.1Confident79Confident87 Ų8781.4 Ų81.453%0.53444%0.443SS..EExtended strand (participates in β ladder)trans-100.1117.1176.361.50000109.6R103 T104R103-T115 CarbonylContact O-C 3.51Å; R103-T115 WeakPolarHBondContact O-CA 3.32Å; T104-T115 HydrophobicContact CG2-CG2 3.47Å; T104-T115 VanDerWaalsContact CG2-CG2 3.47Å
116Y80.1Confident78.9Confident97 Ų9781.6 Ų81.638%0.3845%0.447SS..EExtended strand (participates in β ladder)trans-100.8138.4174.6-61.5-81.1000109Q102 R103 E105 R114 Y118Q102-Y116 WeakPolarHBondContact CA-O 3.33Å; R103-Y116 PolarHBondContact N-O 3.46Å; R103-Y116 PolarHBondContact O-N 2.9Å; E105-Y116 HydrophobicContact CB-CE2 4.37Å; R114-Y116 HydrophobicContact CB-CE2 3.77Å; Y116-Y118 VanDerWaalsContact C-N 3.29Å
117S83.4Confident79Confident73 Ų7378.5 Ų78.551%0.5144%0.435SS..EExtended strand (participates in β ladder)trans-83.9-8.317458.50000112.9G101G101-S117 PolarHBondContact N-O 3.4Å; G101-S117 CarbonylContact O-C 3.54Å; G101-S117 WeakPolarHBondContact O-CA 3.38Å; G101-S117 VanDerWaalsContact O-O 3.11Å
118Y84.5Confident78.8Confident123 Ų12381.3 Ų81.348%0.48246%0.455SS..EExtended strand (participates in β ladder)trans-132.2142.2179.2-57-86.3000109.7V98 C99 E100 Y116V98-Y118 HydrophobicContact CG1-CD1 4.16Å; C99-Y118 CarbonylContact O-C 3.54Å; C99-Y118 VanDerWaalsContact O-CA 3.22Å; C99-Y118 WeakPolarHBondContact O-CA 3.48Å; E100-Y118 HydrophobicContact CG-CD1 3.63Å; E100-Y118 HydrophobicContact CG-CE1 3.3Å; Y116-Y118 VanDerWaalsContact C-N 3.29Å
119F84.9Confident79.1Confident12 Ų1279.5 Ų79.55%0.05344%0.44CS..EExtended strand (participates in β ladder)trans-140.6161.1175.366.1-83.9000110.2C99 R103 G142 C144C99-F119 HydrophobicContact CB-CD1 3.92Å; C99-F119 HydrophobicContact CB-CD2 4.05Å; C99-F119 HydrophobicContact CB-CE1 3.42Å; C99-F119 VanDerWaalsContact CB-CE1 3.42Å; C99-F119 HydrophobicContact CB-CE2 3.57Å; C99-F119 HydrophobicContact CB-CG 4.21Å; C99-F119 HydrophobicContact CB-CZ 3.21Å; C99-F119 PolarHBondContact N-O 3.07Å; C99-F119 PolarHBondContact O-N 3.34Å; R103-F119 HydrophobicContact CB-CB 4.48Å; R103-F119 HydrophobicContact CG-CB 3.89Å; R103-F119 HydrophobicContact CG-CD1 3.6Å; R103-F119 HydrophobicContact CG-CE1 4.27Å; R103-F119 HydrophobicContact CG-CG 3.75Å; F119-G142 WeakPolarHBondContact CE1-O 3.13Å; F119-G142 WeakPolarHBondContact CZ-O 3.46Å; F119-C144 VanDerWaalsContact CE2-SG 3.58Å
120L85.5Confident79.5Confident68 Ų6876.2 Ų76.236%0.35641%0.413SS..EExtended strand (participates in β ladder)trans-107.1139.1-176.3-71.878000110.1L93 V98L93-L120 HydrophobicContact CD1-CD2 3.86Å; V98-L120 HydrophobicContact CG2-CG 4.46Å
121C85.5Confident79.9Confident0 Ų077.6 Ų77.60%041%0.413CS..EExtended strand (participates in β ladder)trans-93.8135.4173.3-67.90000111.5Y96 E97 C99 E130 C144Y96-C121 WeakPolarHBondContact CD1-O 3.09Å; E97-C121 PolarHBondContact O-N 2.92Å; E97-C121 VanDerWaalsContact O-N 3.08Å; C99-C121 PolarHBondContact SG-SG 3.38Å; C121-E130 WeakPolarHBondContact CB-O 3.3Å; C121-C144 WeakPolarHBondContact CA-SG 3.21Å; C121-C144 HydrophobicContact CB-CB 3.98Å; C121-C144 WeakPolarHBondContact CB-SG 3.47Å; C121-C144 WeakPolarHBondContact SG-CA 3.24Å; C121-C144 WeakPolarHBondContact SG-CB 3.44Å; C121-C144 CovalentContact SG-SG 2.04Å; C121-C144 PolarHBondContact SG-SG 2.62Å
122P82.6Confident80.3Confident46 Ų4677.6 Ų77.630%0.29940%0.398SS..  cis-85135.4932.8-33.9000113.6E130P122-E130 WeakPolarHBondContact CA-O 3.42Å
123D77.8Confident80.9Confident70 Ų7073.7 Ų73.737%0.37438%0.381SS..  trans-83.1-34.3179.7177.850.5000112.1R103R103-D123 IonicContact CZ-OD2 3.1Å; R103-D123 IonicContact NH1-OD1 3.53Å; R103-D123 IonicContact NH1-OD2 2.62Å; R103-D123 PolarHBondContact NH1-OD2 3.49Å; R103-D123 IonicContact NH2-OD2 2.82Å; R103-D123 PolarHBondContact NH2-OD2 3.44Å
124N74.8Confident81.2Confident53 Ų5369.7 Ų69.728%0.28336%0.356SS..  trans-100.5121.5179.3-167.8-7.1000110.9N126 Q127N124-N126 PolarHBondContact O-N 3.01Å; N124-N126 VanDerWaalsContact O-N 3.09Å; N124-N126 PolarHBondContact OD1-N 3.38Å; N124-N126 PolarHBondContact OD1-ND2 3.01Å; N124-Q127 HydrophobicContact CB-CB 4.34Å; N124-Q127 PolarHBondContact ND2-OE1 3.11Å; N124-Q127 PolarHBondContact O-N 2.73Å
125P70.5Confident81.5Confident114 Ų11470.2 Ų70.274%0.7436%0.359SS*.THydrogen-bonded Turntrans-62.4-20.1177.925.9-35.8000113Q127P125-Q127 VanDerWaalsContact C-N 3.31Å
126N74Confident81.6Confident114 Ų11468.7 Ų68.761%0.6135%0.347SS*.THydrogen-bonded Turntrans-79.4-14.6177.6-58.2-64.8000113.2N124 P128N124-N126 PolarHBondContact O-N 3.01Å; N124-N126 VanDerWaalsContact O-N 3.09Å; N124-N126 PolarHBondContact OD1-N 3.38Å; N124-N126 PolarHBondContact OD1-ND2 3.01Å; N126-P128 VanDerWaalsContact C-CD 3.48Å; N126-P128 WeakPolarHBondContact O-CD 3.29Å
127Q77.4Confident81.6Confident61 Ų6167.9 Ų67.929%0.28536%0.356SS..  trans-128.267.5-173.2-64.3170.4-57.600110.7N124 P125 F129 E130N124-Q127 HydrophobicContact CB-CB 4.34Å; N124-Q127 PolarHBondContact ND2-OE1 3.11Å; N124-Q127 PolarHBondContact O-N 2.73Å; P125-Q127 VanDerWaalsContact C-N 3.31Å; Q127-F129 HydrophobicContact CB-CE1 4.07Å; Q127-F129 HydrophobicContact CB-CE2 4.1Å; Q127-F129 HydrophobicContact CB-CZ 3.8Å; Q127-F129 HydrophobicContact CG-CE1 4.17Å; Q127-F129 HydrophobicContact CG-CE2 4.27Å; Q127-F129 HydrophobicContact CG-CZ 3.68Å; Q127-F129 PolarHBondContact O-N 3.45Å; Q127-E130 HydrophobicContact CB-CB 4.43Å; Q127-E130 HydrophobicContact CB-CG 3.95Å; Q127-E130 PolarHBondContact NE2-OE1 3.41Å; Q127-E130 PolarHBondContact O-N 3.02Å; Q127-E130 PolarHBondContact OE1-OE1 3.09Å; Q127-E130 PolarHBondContact OE1-OE2 3.32Å
128P75.5Confident81.4Confident90 Ų9070 Ų7058%0.58437%0.365SS*.THydrogen-bonded Turntrans-65.6-12.5-179.129.3-37000113.4N126 E130N126-P128 VanDerWaalsContact C-CD 3.48Å; N126-P128 WeakPolarHBondContact O-CD 3.29Å; P128-E130 VanDerWaalsContact C-N 3.31Å
129F79Confident81.2Confident107 Ų10767.8 Ų67.847%0.46937%0.365SS..THydrogen-bonded Turntrans-78.9-14.7175.950.5-95.5000112.9Q127 K131Q127-F129 HydrophobicContact CB-CE1 4.07Å; Q127-F129 HydrophobicContact CB-CE2 4.1Å; Q127-F129 HydrophobicContact CB-CZ 3.8Å; Q127-F129 HydrophobicContact CG-CE1 4.17Å; Q127-F129 HydrophobicContact CG-CE2 4.27Å; Q127-F129 HydrophobicContact CG-CZ 3.68Å; Q127-F129 PolarHBondContact O-N 3.45Å; F129-K131 PolarHBondContact O-N 3.49Å
130E84.2Confident80.9Confident38 Ų3869.4 Ų69.418%0.17839%0.385CS..  trans-84.755.5178.1-63.4-180-178.600111.6C121 P122 Q127 P128 Y132 C144 C145C121-E130 WeakPolarHBondContact CB-O 3.3Å; P122-E130 WeakPolarHBondContact CA-O 3.42Å; Q127-E130 HydrophobicContact CB-CB 4.43Å; Q127-E130 HydrophobicContact CB-CG 3.95Å; Q127-E130 PolarHBondContact NE2-OE1 3.41Å; Q127-E130 PolarHBondContact O-N 3.02Å; Q127-E130 PolarHBondContact OE1-OE1 3.09Å; Q127-E130 PolarHBondContact OE1-OE2 3.32Å; P128-E130 VanDerWaalsContact C-N 3.31Å; E130-Y132 VanDerWaalsContact C-N 3.33Å; E130-C144 HydrophobicContact CB-CB 3.98Å; E130-C144 WeakPolarHBondContact O-CB 3.46Å; E130-C145 CarbonylContact C-O 3.52Å; E130-C145 VanDerWaalsContact CA-O 3.3Å; E130-C145 WeakPolarHBondContact CA-O 3.48Å
131K85Confident80.7Confident96 Ų9669.7 Ų69.742%0.41739%0.385SS..  trans-86.5-4.6-178.367.3-179-177.1175.50113.8F129F129-K131 PolarHBondContact O-N 3.49Å
132Y86Confident80.7Confident51 Ų5169.9 Ų69.920%0.239%0.388CS..EExtended strand (participates in β ladder)trans-107.7145.6-173.6-61.8-75.3000112.7E97 E130 C144 C145 Y147 K150E97-Y132 WeakPolarHBondContact OE2-CA 3.29Å; E97-Y132 WeakPolarHBondContact OE2-CD1 3.17Å; E130-Y132 VanDerWaalsContact C-N 3.33Å; Y132-C144 CarbonylContact O-C 3.56Å; Y132-C144 WeakPolarHBondContact O-CA 3.28Å; Y132-C145 WeakPolarHBondContact CB-O 3.04Å; Y132-C145 PolarHBondContact N-O 3.25Å; Y132-C145 PolarHBondContact O-N 2.98Å; Y132-Y147 HydrophobicContact CD2-CD2 4.44Å; Y132-Y147 HydrophobicContact CE1-CD2 4.42Å; Y132-Y147 AromaticContact CE2-CD2 3.67Å; Y132-Y147 HydrophobicContact CE2-CD2 3.67Å; Y132-Y147 HydrophobicContact CE2-CG 4.13Å; Y132-Y147 AromaticContact CZ-CD2 3.62Å; Y132-K150 HydrophobicContact CD1-CD 3.66Å; Y132-K150 HydrophobicContact CE1-CD 4.34Å; Y132-K150 HydrophobicContact CG-CD 3.8Å
133C88.5Confident80.8Confident26 Ų2669.6 Ų69.618%0.17639%0.389CS..EExtended strand (participates in β ladder)trans-85.4120.9173.7-157.60000112E97 C99E97-C133 HydrophobicContact CG-CB 3.89Å; E97-C133 PolarHBondContact OE2-N 3.43Å; C99-C133 WeakPolarHBondContact CA-SG 3.3Å; C99-C133 HydrophobicContact CB-CB 4.22Å; C99-C133 WeakPolarHBondContact CB-SG 3.47Å; C99-C133 WeakPolarHBondContact SG-CA 3.27Å; C99-C133 WeakPolarHBondContact SG-CB 3.19Å; C99-C133 CovalentContact SG-SG 2.02Å; C99-C133 PolarHBondContact SG-SG 2.86Å
134C87.5Confident81.2Confident12 Ų1267 Ų678%0.08138%0.376CS..EExtended strand (participates in β ladder)trans-104136.3167.2-640000110.2G142 A143 C145C134-G142 CarbonylContact O-C 3.13Å; C134-G142 VanDerWaalsContact O-CA 3.26Å; C134-G142 WeakPolarHBondContact O-CA 3.32Å; C134-A143 PolarHBondContact N-O 3.01Å; C134-A143 PolarHBondContact O-N 2.92Å; C134-C145 HydrophobicContact CB-CB 4.26Å; C134-C145 WeakPolarHBondContact CB-SG 3.45Å; C134-C145 WeakPolarHBondContact SG-CB 3.48Å; C134-C145 CovalentContact SG-SG 2.03Å; C134-C145 PolarHBondContact SG-SG 2.95Å
135W84.3Confident81.8Confident137 Ų13765.2 Ų65.252%0.51937%0.367SS..EExtended strand (participates in β ladder)trans-86.4122.4167.3-164.4-101.7000110.3E100 G140E100-W135 HydrophobicContact CB-CH2 4.41Å; E100-W135 HydrophobicContact CB-CZ3 3.84Å; W135-G140 WeakPolarHBondContact CZ2-O 3.33Å
136D83.1Confident82.6Confident55 Ų5561 Ų6129%0.29434%0.341SS..EExtended strand (participates in β ladder)trans-91.9112.3170.4-175.70.6000109.9T138 T139 G140 M141D136-T138 VanDerWaalsContact CG-OG1 3.22Å; D136-T138 PolarHBondContact O-N 3.48Å; D136-T138 PolarHBondContact OD1-N 3.14Å; D136-T138 PolarHBondContact OD1-OG1 2.72Å; D136-T138 PolarHBondContact OD2-OG1 3.06Å; D136-T138 VanDerWaalsContact OD2-OG1 3.06Å; D136-T139 PolarHBondContact O-N 2.98Å; D136-T139 PolarHBondContact OD2-OG1 3.4Å; D136-G140 PolarHBondContact O-N 3.22Å; D136-M141 PolarHBondContact N-O 3.02Å
137S79.3Confident83.1Confident80 Ų8061 Ų6156%0.55933%0.333SS*.THydrogen-bonded Turntrans-63.5-23178.156.60000113.6
138T79.2Confident83.2Confident116 Ų11663.7 Ų63.771%0.71235%0.349SS*.THydrogen-bonded Turntrans-83.8-37.3-177.462.30000112.1D136D136-T138 VanDerWaalsContact CG-OG1 3.22Å; D136-T138 PolarHBondContact O-N 3.48Å; D136-T138 PolarHBondContact OD1-N 3.14Å; D136-T138 PolarHBondContact OD1-OG1 2.72Å; D136-T138 PolarHBondContact OD2-OG1 3.06Å; D136-T138 VanDerWaalsContact OD2-OG1 3.06Å
139T79.9Confident83.5Confident78 Ų7862.8 Ų62.848%0.47934%0.342SS..THydrogen-bonded Turntrans-94.6-20.4-175.7-50.50000112.1D136 M141D136-T139 PolarHBondContact O-N 2.98Å; D136-T139 PolarHBondContact OD2-OG1 3.4Å; T139-M141 HydrophobicContact CG2-CB 4.18Å; T139-M141 HydrophobicContact CG2-CE 3.25Å; T139-M141 HydrophobicContact CG2-CG 4.21Å; T139-M141 PolarHBondContact O-N 3.01Å
140G79.4Confident83.7Confident45 Ų4560.6 Ų60.646%0.46433%0.332SS..THydrogen-bonded Turntrans67.618.6-175.900000113W135 D136W135-G140 WeakPolarHBondContact CZ2-O 3.33Å; D136-G140 PolarHBondContact O-N 3.22Å
141M81.5Confident83.2Confident74 Ų7463 Ų6337%0.36534%0.344SS..EExtended strand (participates in β ladder)trans-127145.6179.6-63.4-167.5-77.600109Q102 D136 T139Q102-M141 HydrophobicContact CB-SD 4.03Å; D136-M141 PolarHBondContact N-O 3.02Å; T139-M141 HydrophobicContact CG2-CB 4.18Å; T139-M141 HydrophobicContact CG2-CE 3.25Å; T139-M141 HydrophobicContact CG2-CG 4.21Å; T139-M141 PolarHBondContact O-N 3.01Å
142G84.8Confident82.7Confident5 Ų566.2 Ų66.25%0.05236%0.355CS..EExtended strand (participates in β ladder)trans-68.9146.1167.300000110.8E100 F119 C134E100-G142 WeakPolarHBondContact O-CA 2.99Å; E100-G142 PolarHBondContact O-N 3.43Å; F119-G142 WeakPolarHBondContact CE1-O 3.13Å; F119-G142 WeakPolarHBondContact CZ-O 3.46Å; C134-G142 CarbonylContact O-C 3.13Å; C134-G142 VanDerWaalsContact O-CA 3.26Å; C134-G142 WeakPolarHBondContact O-CA 3.32Å
143A84.8Confident81.9Confident40 Ų4066.4 Ų66.433%0.33136%0.364SS..EExtended strand (participates in β ladder)trans-132.6146.817200000109.3C134C134-A143 PolarHBondContact N-O 3.01Å; C134-A143 PolarHBondContact O-N 2.92Å
144C87.1Confident80.7Confident14 Ų1473.4 Ų73.410%0.09539%0.394CS..EExtended strand (participates in β ladder)trans-71.8136.7172.2-63.10000110F119 C121 E130 Y132F119-C144 VanDerWaalsContact CE2-SG 3.58Å; C121-C144 WeakPolarHBondContact CA-SG 3.21Å; C121-C144 HydrophobicContact CB-CB 3.98Å; C121-C144 WeakPolarHBondContact CB-SG 3.47Å; C121-C144 WeakPolarHBondContact SG-CA 3.24Å; C121-C144 WeakPolarHBondContact SG-CB 3.44Å; C121-C144 CovalentContact SG-SG 2.04Å; C121-C144 PolarHBondContact SG-SG 2.62Å; E130-C144 HydrophobicContact CB-CB 3.98Å; E130-C144 WeakPolarHBondContact O-CB 3.46Å; Y132-C144 CarbonylContact O-C 3.56Å; Y132-C144 WeakPolarHBondContact O-CA 3.28Å
145C87.6Confident79.5Confident16 Ų1675.7 Ų75.711%0.10841%0.41CS..EExtended strand (participates in β ladder)trans-139.1165.2172.1-40.30000113.2E130 Y132 C134 V149E130-C145 CarbonylContact C-O 3.52Å; E130-C145 VanDerWaalsContact CA-O 3.3Å; E130-C145 WeakPolarHBondContact CA-O 3.48Å; Y132-C145 WeakPolarHBondContact CB-O 3.04Å; Y132-C145 PolarHBondContact N-O 3.25Å; Y132-C145 PolarHBondContact O-N 2.98Å; C134-C145 HydrophobicContact CB-CB 4.26Å; C134-C145 WeakPolarHBondContact CB-SG 3.45Å; C134-C145 WeakPolarHBondContact SG-CB 3.48Å; C134-C145 CovalentContact SG-SG 2.03Å; C134-C145 PolarHBondContact SG-SG 2.95Å; C145-V149 HydrophobicContact CB-CB 3.69Å; C145-V149 HydrophobicContact CB-CG1 3.9Å; C145-V149 HydrophobicContact CB-CG2 4.32Å
146S87.6Confident78.3Confident25 Ų2569.6 Ų69.618%0.17539%0.389CS..  trans-66.1160.4165.7-167.40000112.2D148 V149 K150S146-D148 PolarHBondContact O-N 2.98Å; S146-V149 PolarHBondContact O-N 3.19Å; S146-V149 VanDerWaalsContact O-N 3.15Å; S146-K150 PolarHBondContact O-N 3.36Å
147Y82.9Confident77.3Confident114 Ų11475.1 Ų75.145%0.44741%0.406SS..Hα-helixtrans-52.9-40.3174.8-174.5-106.5000113.1Y132 V149 K150 M151Y132-Y147 HydrophobicContact CD2-CD2 4.44Å; Y132-Y147 HydrophobicContact CE1-CD2 4.42Å; Y132-Y147 AromaticContact CE2-CD2 3.67Å; Y132-Y147 HydrophobicContact CE2-CD2 3.67Å; Y132-Y147 HydrophobicContact CE2-CG 4.13Å; Y132-Y147 AromaticContact CZ-CD2 3.62Å; Y147-V149 VanDerWaalsContact C-N 3.28Å; Y147-V149 PolarHBondContact O-N 3.4Å; Y147-K150 WeakPolarHBondContact O-CB 3.28Å; Y147-K150 PolarHBondContact O-N 2.98Å; Y147-M151 HydrophobicContact CD1-CG 4.24Å; Y147-M151 HydrophobicContact CE1-CE 4.14Å; Y147-M151 HydrophobicContact CE1-CG 3.89Å; Y147-M151 HydrophobicContact CE2-CE 3.63Å; Y147-M151 HydrophobicContact CE2-CG 4.39Å; Y147-M151 PolarHBondContact O-N 3.41Å; Y147-M151 WeakPolarHBondContact OH-CE 3.5Å
148D80.3Confident76.6Confident118 Ų11874.1 Ų74.163%0.63141%0.409SS*.Hα-helixtrans-61.9-39.9-178-56.8-47.4000111.4S146 Y152S146-D148 PolarHBondContact O-N 2.98Å; D148-Y152 VanDerWaalsContact O-CB 3.28Å; D148-Y152 WeakPolarHBondContact O-CB 3.05Å; D148-Y152 PolarHBondContact O-N 2.88Å
149V82.1Confident76.3Confident71 Ų7172.7 Ų72.743%0.4340%0.4SS..Hα-helixtrans-73.6-38.4178-174.80000110.5C145 S146 Y147 M151 Y152 S153C145-V149 HydrophobicContact CB-CB 3.69Å; C145-V149 HydrophobicContact CB-CG1 3.9Å; C145-V149 HydrophobicContact CB-CG2 4.32Å; S146-V149 PolarHBondContact O-N 3.19Å; S146-V149 VanDerWaalsContact O-N 3.15Å; Y147-V149 VanDerWaalsContact C-N 3.28Å; Y147-V149 PolarHBondContact O-N 3.4Å; V149-M151 VanDerWaalsContact C-N 3.3Å; V149-M151 PolarHBondContact O-N 3.48Å; V149-Y152 PolarHBondContact O-N 3.01Å; V149-S153 VanDerWaalsContact O-CB 3.3Å; V149-S153 WeakPolarHBondContact O-CB 3.3Å; V149-S153 PolarHBondContact O-N 2.72Å
150K82.1Confident76.2Confident61 Ų6172.3 Ų72.327%0.26540%0.397SS..Hα-helixtrans-56.8-47173.6-170.3-178.5-159.6157.20110.7E97 Y132 S146 Y147 S153 H154E97-K150 VanDerWaalsContact CD-NZ 3.34Å; E97-K150 IonicContact OE1-NZ 2.89Å; E97-K150 PolarHBondContact OE1-NZ 2.82Å; E97-K150 IonicContact OE2-NZ 2.9Å; E97-K150 PolarHBondContact OE2-NZ 3.5Å; Y132-K150 HydrophobicContact CD1-CD 3.66Å; Y132-K150 HydrophobicContact CE1-CD 4.34Å; Y132-K150 HydrophobicContact CG-CD 3.8Å; S146-K150 PolarHBondContact O-N 3.36Å; Y147-K150 WeakPolarHBondContact O-CB 3.28Å; Y147-K150 PolarHBondContact O-N 2.98Å; K150-S153 PolarHBondContact O-N 2.87Å; K150-H154 PolarHBondContact O-N 3.44Å; K150-H154 VanDerWaalsContact O-N 3.14Å
151M75.5Confident76.2Confident88 Ų8874.2 Ų74.243%0.43340%0.399SS..Hα-helixtrans-66.5-41.2177.8-73.8-60.218000112.2Y147 V149 S155Y147-M151 HydrophobicContact CD1-CG 4.24Å; Y147-M151 HydrophobicContact CE1-CE 4.14Å; Y147-M151 HydrophobicContact CE1-CG 3.89Å; Y147-M151 HydrophobicContact CE2-CE 3.63Å; Y147-M151 HydrophobicContact CE2-CG 4.39Å; Y147-M151 PolarHBondContact O-N 3.41Å; Y147-M151 WeakPolarHBondContact OH-CE 3.5Å; V149-M151 VanDerWaalsContact C-N 3.3Å; V149-M151 PolarHBondContact O-N 3.48Å; M151-S155 WeakPolarHBondContact O-CB 3.3Å; M151-S155 PolarHBondContact O-N 2.89Å
152Y72.6Confident76.2Confident165 Ų16572.7 Ų72.765%0.64740%0.402SS*.Hα-helixtrans-67.7-36.8177.4-168.6-97.2000112.8D148 V149 G156D148-Y152 VanDerWaalsContact O-CB 3.28Å; D148-Y152 WeakPolarHBondContact O-CB 3.05Å; D148-Y152 PolarHBondContact O-N 2.88Å; V149-Y152 PolarHBondContact O-N 3.01Å; Y152-G156 WeakPolarHBondContact O-CA 3.32Å; Y152-G156 PolarHBondContact O-N 3.11Å
153S69.2Low76.2Confident54 Ų5475.9 Ų75.938%0.37842%0.421SS..Hα-helixtrans-71-45.1-179.3-1650000111.3V149 K150V149-S153 VanDerWaalsContact O-CB 3.3Å; V149-S153 WeakPolarHBondContact O-CB 3.3Å; V149-S153 PolarHBondContact O-N 2.72Å; K150-S153 PolarHBondContact O-N 2.87Å
154H64.8Low76.3Confident173 Ų17378.8 Ų78.880%0.80143%0.43SS*.Hα-helixtrans-81-31-176.9-159.4-58.2000113.6K150K150-H154 PolarHBondContact O-N 3.44Å; K150-H154 VanDerWaalsContact O-N 3.14Å
155S60.9Low76.4Confident60 Ų6083.4 Ų83.442%0.4245%0.454SS..Hα-helixtrans-103.4-26.9178.6-750000114.1M151 R157 V159M151-S155 WeakPolarHBondContact O-CB 3.3Å; M151-S155 PolarHBondContact O-N 2.89Å; S155-R157 PolarHBondContact O-N 3.38Å; S155-V159 WeakPolarHBondContact O-CB 3.18Å; S155-V159 VanDerWaalsContact O-CG2 3.24Å; S155-V159 WeakPolarHBondContact O-CG2 3.24Å; S155-V159 PolarHBondContact O-N 3.49Å
156G59Low76.4Confident9 Ų984.6 Ų84.69%0.09347%0.468CS..Hα-helixtrans-72-36.7-161.400000114.7Y152 V160Y152-G156 WeakPolarHBondContact O-CA 3.32Å; Y152-G156 PolarHBondContact O-N 3.11Å; G156-V160 WeakPolarHBondContact O-CB 3.4Å; G156-V160 WeakPolarHBondContact O-CG2 3.42Å; G156-V160 PolarHBondContact O-N 3Å
157R63.1Low76.5Confident172 Ų17286.5 Ų86.565%0.64948%0.479SS*.Hα-helixtrans-78-48.3-176.4-67.8-175.4-179.4152.70.6112.6S155 V161S155-R157 PolarHBondContact O-N 3.38Å; R157-V161 WeakPolarHBondContact O-CB 3.48Å; R157-V161 WeakPolarHBondContact O-CG2 3.42Å; R157-V161 PolarHBondContact O-N 3.39Å
158G64.2Low76.8Confident59 Ų5986.3 Ų86.361%0.60848%0.484SS*.Hα-helixtrans-73.3-41.3-176.800000113.6G162G158-G162 PolarHBondContact O-N 3.49Å
159V72.9Confident77.3Confident86 Ų8686.3 Ų86.352%0.52148%0.483SS..Hα-helixtrans-74.1-39.8-177.2-178.40000110.8S155 G162 T163S155-V159 WeakPolarHBondContact O-CB 3.18Å; S155-V159 VanDerWaalsContact O-CG2 3.24Å; S155-V159 WeakPolarHBondContact O-CG2 3.24Å; S155-V159 PolarHBondContact O-N 3.49Å; V159-G162 PolarHBondContact O-N 3Å; V159-T163 HydrophobicContact CG1-CG2 4Å; V159-T163 VanDerWaalsContact O-CB 3.27Å; V159-T163 WeakPolarHBondContact O-CB 3.08Å; V159-T163 WeakPolarHBondContact O-CG2 3.44Å; V159-T163 PolarHBondContact O-N 3.15Å; V159-T163 PolarHBondContact O-OG1 2.9Å
160V77.2Confident77.6Confident70 Ų7087 Ų8742%0.42448%0.484SS..Hα-helixtrans-65.6-46.4177.81770000110.4G156 G162 T163 L164G156-V160 WeakPolarHBondContact O-CB 3.4Å; G156-V160 WeakPolarHBondContact O-CG2 3.42Å; G156-V160 PolarHBondContact O-N 3Å; V160-G162 PolarHBondContact O-N 3.07Å; V160-T163 WeakPolarHBondContact CA-OG1 3.35Å; V160-T163 PolarHBondContact O-N 3.26Å; V160-T163 PolarHBondContact O-OG1 3.41Å; V160-L164 HydrophobicContact CG1-CD1 3.96Å; V160-L164 HydrophobicContact CG1-CG 4.48Å; V160-L164 WeakPolarHBondContact O-CB 3.42Å; V160-L164 VanDerWaalsContact O-CG 3.24Å; V160-L164 WeakPolarHBondContact O-CG 2.88Å; V160-L164 PolarHBondContact O-N 2.77Å
161V80.9Confident78Confident84 Ų8489 Ų8951%0.50950%0.496SS..Hα-helixtrans-65.1-43.2177.8176.40000111.3R157 L164 L165R157-V161 WeakPolarHBondContact O-CB 3.48Å; R157-V161 WeakPolarHBondContact O-CG2 3.42Å; R157-V161 PolarHBondContact O-N 3.39Å; V161-L164 PolarHBondContact O-N 2.76Å; V161-L165 HydrophobicContact CG1-CD1 3.97Å; V161-L165 WeakPolarHBondContact O-CG 3.37Å; V161-L165 PolarHBondContact O-N 3.47Å
162G81.7Confident78.8Confident42 Ų4290.2 Ų90.243%0.43350%0.503SS..Hα-helixtrans-65.2-39.1178.500000113.3G158 V159 V160 G166G158-G162 PolarHBondContact O-N 3.49Å; V159-G162 PolarHBondContact O-N 3Å; V160-G162 PolarHBondContact O-N 3.07Å; G162-G166 PolarHBondContact O-N 2.97Å
163T84.3Confident79.5Confident73 Ų7385.9 Ų85.945%0.44849%0.494SS..Hα-helixtrans-70.2-39.5176.652.20000111.6V159 V160 G166 T167V159-T163 HydrophobicContact CG1-CG2 4Å; V159-T163 VanDerWaalsContact O-CB 3.27Å; V159-T163 WeakPolarHBondContact O-CB 3.08Å; V159-T163 WeakPolarHBondContact O-CG2 3.44Å; V159-T163 PolarHBondContact O-N 3.15Å; V159-T163 PolarHBondContact O-OG1 2.9Å; V160-T163 WeakPolarHBondContact CA-OG1 3.35Å; V160-T163 PolarHBondContact O-N 3.26Å; V160-T163 PolarHBondContact O-OG1 3.41Å; T163-G166 PolarHBondContact O-N 3.24Å; T163-T167 VanDerWaalsContact O-CB 3.3Å; T163-T167 WeakPolarHBondContact O-CB 3.35Å; T163-T167 WeakPolarHBondContact O-CG2 2.86Å; T163-T167 PolarHBondContact O-N 3.48Å; T163-T167 PolarHBondContact O-OG1 2.9Å
164L87.2Confident80.3Confident100 Ų10086.8 Ų86.852%0.52449%0.491SS..Hα-helixtrans-62.9-46.2174.9-71.7171.6000111.9V160 V161 T167 M168V160-L164 HydrophobicContact CG1-CD1 3.96Å; V160-L164 HydrophobicContact CG1-CG 4.48Å; V160-L164 WeakPolarHBondContact O-CB 3.42Å; V160-L164 VanDerWaalsContact O-CG 3.24Å; V160-L164 WeakPolarHBondContact O-CG 2.88Å; V160-L164 PolarHBondContact O-N 2.77Å; V161-L164 PolarHBondContact O-N 2.76Å; L164-T167 PolarHBondContact O-OG1 2.89Å; L164-M168 VanDerWaalsContact O-CG 3.28Å; L164-M168 WeakPolarHBondContact O-CG 2.87Å; L164-M168 PolarHBondContact O-N 3.14Å; L164-M168 VanDerWaalsContact O-N 3.09Å
165L88.3Confident81.5Confident112 Ų11280.2 Ų80.259%0.58647%0.471SS*.Hα-helixtrans-66.1-43.3176.8-72.9168.8000112.2V161 M168 L169V161-L165 HydrophobicContact CG1-CD1 3.97Å; V161-L165 WeakPolarHBondContact O-CG 3.37Å; V161-L165 PolarHBondContact O-N 3.47Å; L165-M168 PolarHBondContact O-N 3.07Å; L165-L169 WeakPolarHBondContact O-CG 3.42Å; L165-L169 PolarHBondContact O-N 3.47Å; L165-L169 VanDerWaalsContact O-N 3.14Å
166G88.3Confident82.9Confident40 Ų4080.5 Ų80.541%0.41247%0.473SS..Hα-helixtrans-64.5-42178.800000112.8G162 T163 L170G162-G166 PolarHBondContact O-N 2.97Å; T163-G166 PolarHBondContact O-N 3.24Å; G166-L170 WeakPolarHBondContact O-CB 3.2Å; G166-L170 PolarHBondContact O-N 3.19Å
167T89.3Confident84.3Confident65 Ų6584 Ų8440%0.39949%0.492SS..Hα-helixtrans-67.2-38.7177.1520000112.1T163 L164 L170 I171T163-T167 VanDerWaalsContact O-CB 3.3Å; T163-T167 WeakPolarHBondContact O-CB 3.35Å; T163-T167 WeakPolarHBondContact O-CG2 2.86Å; T163-T167 PolarHBondContact O-N 3.48Å; T163-T167 PolarHBondContact O-OG1 2.9Å; L164-T167 PolarHBondContact O-OG1 2.89Å; T167-L170 PolarHBondContact O-N 3.26Å; T167-I171 VanDerWaalsContact O-CG1 3.27Å; T167-I171 WeakPolarHBondContact O-CG1 3.42Å; T167-I171 PolarHBondContact O-N 3.04Å
168M89.3Confident85.5Confident111 Ų11178.5 Ų78.555%0.54748%0.475SS..Hα-helixtrans-62.8-45.5175.9-74.7-65157.400112.6L164 L165 L170 I171 I172L164-M168 VanDerWaalsContact O-CG 3.28Å; L164-M168 WeakPolarHBondContact O-CG 2.87Å; L164-M168 PolarHBondContact O-N 3.14Å; L164-M168 VanDerWaalsContact O-N 3.09Å; L165-M168 PolarHBondContact O-N 3.07Å; M168-L170 VanDerWaalsContact C-N 3.32Å; M168-L170 PolarHBondContact O-N 3.18Å; M168-I171 PolarHBondContact O-N 2.99Å; M168-I172 VanDerWaalsContact O-CG1 3.29Å; M168-I172 WeakPolarHBondContact O-CG1 3.32Å; M168-I172 PolarHBondContact O-N 3.19Å
169L91Very high86.7Confident117 Ų11781.8 Ų81.861%0.61347%0.47SS*.Hα-helixtrans-64.7-37176.3-68.5175.5000112.2L165 I172 T173L165-L169 WeakPolarHBondContact O-CG 3.42Å; L165-L169 PolarHBondContact O-N 3.47Å; L165-L169 VanDerWaalsContact O-N 3.14Å; L169-I172 PolarHBondContact O-N 3.09Å; L169-T173 WeakPolarHBondContact O-CB 3.04Å; L169-T173 VanDerWaalsContact O-CG2 3.3Å; L169-T173 WeakPolarHBondContact O-CG2 3.13Å; L169-T173 PolarHBondContact O-N 3.43Å; L169-T173 PolarHBondContact O-OG1 3.22Å
170L88.2Confident87.5Confident86 Ų8680.6 Ų80.645%0.4547%0.465SS..Hα-helixtrans-62.3-48174.4-169.5166.7000110.8G166 T167 M168 I172 T173 F174G166-L170 WeakPolarHBondContact O-CB 3.2Å; G166-L170 PolarHBondContact O-N 3.19Å; T167-L170 PolarHBondContact O-N 3.26Å; M168-L170 VanDerWaalsContact C-N 3.32Å; M168-L170 PolarHBondContact O-N 3.18Å; L170-I172 VanDerWaalsContact C-N 3.35Å; L170-I172 PolarHBondContact O-N 3.24Å; L170-T173 WeakPolarHBondContact CA-OG1 3.15Å; L170-T173 PolarHBondContact O-N 2.95Å; L170-T173 PolarHBondContact O-OG1 3.02Å; L170-F174 HydrophobicContact CD2-CB 4.28Å; L170-F174 WeakPolarHBondContact O-CB 3.26Å; L170-F174 PolarHBondContact O-N 3.05Å
171I91Very high88Confident102 Ų10279.9 Ų79.952%0.52346%0.463SS..Hα-helixtrans-63.2-41.6-179.7-67.4163.8000111.2T167 M168 G175T167-I171 VanDerWaalsContact O-CG1 3.27Å; T167-I171 WeakPolarHBondContact O-CG1 3.42Å; T167-I171 PolarHBondContact O-N 3.04Å; M168-I171 PolarHBondContact O-N 2.99Å; I171-G175 WeakPolarHBondContact O-CA 2.99Å; I171-G175 PolarHBondContact O-N 3.08Å
172I91.2Very high88.3Confident114 Ų11481.9 Ų81.959%0.58547%0.465SS*.Hα-helixtrans-65-48.1179-67.7165.2000111M168 L169 L170 S176M168-I172 VanDerWaalsContact O-CG1 3.29Å; M168-I172 WeakPolarHBondContact O-CG1 3.32Å; M168-I172 PolarHBondContact O-N 3.19Å; L169-I172 PolarHBondContact O-N 3.09Å; L170-I172 VanDerWaalsContact C-N 3.35Å; L170-I172 PolarHBondContact O-N 3.24Å; I172-S176 VanDerWaalsContact O-CB 3.27Å; I172-S176 WeakPolarHBondContact O-CB 3.28Å; I172-S176 PolarHBondContact O-N 3.31Å
173T87.6Confident88.6Confident75 Ų7587 Ų8746%0.4647%0.471SS..Hα-helixtrans-62.6-49.4178.650.30000110.5L169 L170 G175 S176 T177L169-T173 WeakPolarHBondContact O-CB 3.04Å; L169-T173 VanDerWaalsContact O-CG2 3.3Å; L169-T173 WeakPolarHBondContact O-CG2 3.13Å; L169-T173 PolarHBondContact O-N 3.43Å; L169-T173 PolarHBondContact O-OG1 3.22Å; L170-T173 WeakPolarHBondContact CA-OG1 3.15Å; L170-T173 PolarHBondContact O-N 2.95Å; L170-T173 PolarHBondContact O-OG1 3.02Å; T173-G175 PolarHBondContact O-N 2.9Å; T173-S176 WeakPolarHBondContact O-CB 3.38Å; T173-S176 PolarHBondContact O-N 2.99Å; T173-T177 PolarHBondContact O-N 3.42Å; T173-T177 PolarHBondContact O-OG1 3.07Å
174F86.4Confident88.6Confident72 Ų7287.2 Ų87.232%0.31647%0.474SS..Hα-helixtrans-61.1-44.7178.9-173.9-114.7000112.9Y17 L170 S176 T177 I178Y17-F174 HydrophobicContact CD2-CE2 4.41Å; Y17-F174 AromaticContact CE1-CE2 3.81Å; Y17-F174 HydrophobicContact CE1-CE2 3.81Å; Y17-F174 HydrophobicContact CE1-CZ 4.07Å; Y17-F174 HydrophobicContact CE2-CD2 4.41Å; Y17-F174 AromaticContact CE2-CE2 3.5Å; Y17-F174 HydrophobicContact CE2-CE2 3.5Å; Y17-F174 VanDerWaalsContact CE2-CE2 3.5Å; Y17-F174 HydrophobicContact CE2-CZ 4.12Å; Y17-F174 AromaticContact CZ-CE2 3.2Å; Y17-F174 AromaticContact CZ-CZ 3.45Å; Y17-F174 VanDerWaalsContact CZ-CZ 3.45Å; Y17-F174 WeakPolarHBondContact OH-CE2 2.97Å; Y17-F174 WeakPolarHBondContact OH-CZ 3.17Å; L170-F174 HydrophobicContact CD2-CB 4.28Å; L170-F174 WeakPolarHBondContact O-CB 3.26Å; L170-F174 PolarHBondContact O-N 3.05Å; F174-S176 PolarHBondContact O-N 2.03Å; F174-T177 PolarHBondContact O-N 2.82Å; F174-I178 HydrophobicContact CD1-CD1 3.63Å; F174-I178 HydrophobicContact CD2-CD1 4.32Å; F174-I178 HydrophobicContact CE1-CD1 3.12Å; F174-I178 HydrophobicContact CE1-CG1 4.24Å; F174-I178 HydrophobicContact CE2-CD1 3.85Å; F174-I178 HydrophobicContact CE2-CG1 4.11Å; F174-I178 HydrophobicContact CG-CD1 4.18Å; F174-I178 HydrophobicContact CZ-CD1 3.19Å; F174-I178 HydrophobicContact CZ-CG1 3.9Å; F174-I178 WeakPolarHBondContact O-CB 3.32Å; F174-I178 VanDerWaalsContact O-CG1 3.28Å; F174-I178 WeakPolarHBondContact O-CG1 3.41Å; F174-I178 PolarHBondContact O-N 3.45Å
175G89Confident88.3Confident36 Ų3687.4 Ų87.437%0.37147%0.471SS..Hα-helixtrans-62.2-40.8174.800000112.6I171 T173 Y179I171-G175 WeakPolarHBondContact O-CA 2.99Å; I171-G175 PolarHBondContact O-N 3.08Å; T173-G175 PolarHBondContact O-N 2.9Å; G175-Y179 WeakPolarHBondContact O-CB 3.22Å; G175-Y179 PolarHBondContact O-N 3.37Å
176S90Very high87.8Confident65 Ų6591.1 Ų91.146%0.45548%0.477SS..Hα-helixtrans-64.8-45.7174.9-177.40000111.9I172 T173 F174 I178 Y179 C180I172-S176 VanDerWaalsContact O-CB 3.27Å; I172-S176 WeakPolarHBondContact O-CB 3.28Å; I172-S176 PolarHBondContact O-N 3.31Å; T173-S176 WeakPolarHBondContact O-CB 3.38Å; T173-S176 PolarHBondContact O-N 2.99Å; F174-S176 PolarHBondContact O-N 2.03Å; S176-I178 PolarHBondContact O-N 3.46Å; S176-Y179 PolarHBondContact O-N 2.97Å; S176-C180 VanDerWaalsContact O-CB 3.3Å; S176-C180 WeakPolarHBondContact O-CB 3.47Å; S176-C180 PolarHBondContact O-N 3.28Å; S176-C180 PolarHBondContact O-SG 3.29Å
177T88.7Confident87Confident82 Ų8298.7 Ų98.750%0.50349%0.493SS..Hα-helixtrans-61-48.3177.4-42.80000110.7T173 F174 Y179 C180 C181T173-T177 PolarHBondContact O-N 3.42Å; T173-T177 PolarHBondContact O-OG1 3.07Å; F174-T177 PolarHBondContact O-N 2.82Å; T177-Y179 VanDerWaalsContact C-N 3.33Å; T177-Y179 PolarHBondContact O-N 3.13Å; T177-C180 PolarHBondContact O-N 2.9Å; T177-C181 WeakPolarHBondContact O-CB 3.5Å; T177-C181 PolarHBondContact O-N 3.06Å; T177-C181 PolarHBondContact O-SG 2.71Å
178I88.5Confident86Confident57 Ų57103.3 Ų103.329%0.29251%0.508SS..Hα-helixtrans-57.4-48.6175.6-72.2166.5000110.7F174 S176 C180 C181 F182F174-I178 HydrophobicContact CD1-CD1 3.63Å; F174-I178 HydrophobicContact CD2-CD1 4.32Å; F174-I178 HydrophobicContact CE1-CD1 3.12Å; F174-I178 HydrophobicContact CE1-CG1 4.24Å; F174-I178 HydrophobicContact CE2-CD1 3.85Å; F174-I178 HydrophobicContact CE2-CG1 4.11Å; F174-I178 HydrophobicContact CG-CD1 4.18Å; F174-I178 HydrophobicContact CZ-CD1 3.19Å; F174-I178 HydrophobicContact CZ-CG1 3.9Å; F174-I178 WeakPolarHBondContact O-CB 3.32Å; F174-I178 VanDerWaalsContact O-CG1 3.28Å; F174-I178 WeakPolarHBondContact O-CG1 3.41Å; F174-I178 PolarHBondContact O-N 3.45Å; S176-I178 PolarHBondContact O-N 3.46Å; I178-C180 PolarHBondContact O-N 2.81Å; I178-C181 PolarHBondContact O-N 3.2Å; I178-F182 HydrophobicContact CG2-CD2 3.32Å; I178-F182 HydrophobicContact CG2-CE2 3.33Å; I178-F182 WeakPolarHBondContact O-CB 3.49Å; I178-F182 WeakPolarHBondContact O-CD2 3.24Å; I178-F182 PolarHBondContact O-N 2.91Å
179Y90.2Very high84.9Confident128 Ų128104.6 Ų104.650%0.50251%0.513SS..Hα-helixtrans-61.3-45.1-178.9177.6-102.2000112.2G175 S176 T177 F182 R183G175-Y179 WeakPolarHBondContact O-CB 3.22Å; G175-Y179 PolarHBondContact O-N 3.37Å; S176-Y179 PolarHBondContact O-N 2.97Å; T177-Y179 VanDerWaalsContact C-N 3.33Å; T177-Y179 PolarHBondContact O-N 3.13Å; Y179-F182 PolarHBondContact O-N 2.04Å; Y179-R183 HydrophobicContact CD1-CG 4.39Å; Y179-R183 HydrophobicContact CE1-CG 4.14Å; Y179-R183 HydrophobicContact CE2-CG 4.29Å; Y179-R183 VanDerWaalsContact CZ-NE 3.34Å; Y179-R183 WeakPolarHBondContact O-CB 3.39Å; Y179-R183 VanDerWaalsContact O-CG 3.22Å; Y179-R183 WeakPolarHBondContact O-CG 3.33Å; Y179-R183 PolarHBondContact O-N 2.62Å; Y179-R183 PolarHBondContact OH-NE 2.83Å; Y179-R183 VanDerWaalsContact OH-NE 3.1Å; Y179-R183 PolarHBondContact OH-NH2 3.21Å
180C89.5Confident83.4Confident62 Ų62109.1 Ų109.142%0.41952%0.522SS..Hα-helixtrans-62.2-46.8174.9-73.10000111.4S176 T177 I178 F182 R183 C184S176-C180 VanDerWaalsContact O-CB 3.3Å; S176-C180 WeakPolarHBondContact O-CB 3.47Å; S176-C180 PolarHBondContact O-N 3.28Å; S176-C180 PolarHBondContact O-SG 3.29Å; T177-C180 PolarHBondContact O-N 2.9Å; I178-C180 PolarHBondContact O-N 2.81Å; C180-F182 PolarHBondContact O-N 2.82Å; C180-R183 PolarHBondContact O-N 2.81Å; C180-C184 WeakPolarHBondContact O-CB 3.47Å; C180-C184 PolarHBondContact O-N 3.14Å; C180-C184 PolarHBondContact O-SG 3.24Å
181C88.1Confident82.2Confident55 Ų55112.5 Ų112.537%0.37254%0.535SS..Hα-helixtrans-60.3-44.1176.4-69.90000112.2T177 I178 C184 K185T177-C181 WeakPolarHBondContact O-CB 3.5Å; T177-C181 PolarHBondContact O-N 3.06Å; T177-C181 PolarHBondContact O-SG 2.71Å; I178-C181 PolarHBondContact O-N 3.2Å; C181-C184 PolarHBondContact O-N 2.84Å; C181-K185 WeakPolarHBondContact O-CB 3.45Å; C181-K185 PolarHBondContact O-N 2.82Å
182F86.5Confident80.5Confident126 Ų126111.7 Ų111.755%0.55354%0.539SS*.Hα-helixtrans-66.9-40177.4-85.3-66000112.8I178 Y179 C180 K185 R186I178-F182 HydrophobicContact CG2-CD2 3.32Å; I178-F182 HydrophobicContact CG2-CE2 3.33Å; I178-F182 WeakPolarHBondContact O-CB 3.49Å; I178-F182 WeakPolarHBondContact O-CD2 3.24Å; I178-F182 PolarHBondContact O-N 2.91Å; Y179-F182 PolarHBondContact O-N 2.04Å; C180-F182 PolarHBondContact O-N 2.82Å; F182-K185 PolarHBondContact O-N 2.02Å; F182-R186 WeakPolarHBondContact O-CG 3.44Å; F182-R186 PolarHBondContact O-N 2.95Å
183R88.5Confident79Confident149 Ų149113.8 Ų113.856%0.56255%0.55SS**Hα-helixtrans-62.4-45.6174.7-76.4-96.8-178.7166.4-5.3111.1Y179 C180 R186 R187Y179-R183 HydrophobicContact CD1-CG 4.39Å; Y179-R183 HydrophobicContact CE1-CG 4.14Å; Y179-R183 HydrophobicContact CE2-CG 4.29Å; Y179-R183 VanDerWaalsContact CZ-NE 3.34Å; Y179-R183 WeakPolarHBondContact O-CB 3.39Å; Y179-R183 VanDerWaalsContact O-CG 3.22Å; Y179-R183 WeakPolarHBondContact O-CG 3.33Å; Y179-R183 PolarHBondContact O-N 2.62Å; Y179-R183 PolarHBondContact OH-NE 2.83Å; Y179-R183 VanDerWaalsContact OH-NE 3.1Å; Y179-R183 PolarHBondContact OH-NH2 3.21Å; C180-R183 PolarHBondContact O-N 2.81Å; R183-R186 PolarHBondContact O-N 3.46Å; R183-R187 PolarHBondContact O-N 3.25Å
184C83.8Confident77.5Confident77 Ų77116.6 Ų116.652%0.5256%0.562SS.*Hα-helixtrans-64.5-41.7177.1-69.10000112.1C180 C181 R187 K188C180-C184 WeakPolarHBondContact O-CB 3.47Å; C180-C184 PolarHBondContact O-N 3.14Å; C180-C184 PolarHBondContact O-SG 3.24Å; C181-C184 PolarHBondContact O-N 2.84Å; C184-R187 PolarHBondContact O-N 2.94Å; C184-K188 PolarHBondContact O-N 2.73Å
185K81.8Confident76Confident105 Ų105118.9 Ų118.946%0.45758%0.582SS.*Hα-helixtrans-63.1-43.2177.7-171.9172-171.1159.20112.4C181 F182 R187 K188 E189C181-K185 WeakPolarHBondContact O-CB 3.45Å; C181-K185 PolarHBondContact O-N 2.82Å; F182-K185 PolarHBondContact O-N 2.02Å; K185-R187 VanDerWaalsContact C-N 3.28Å; K185-R187 PolarHBondContact O-N 3.31Å; K185-K188 PolarHBondContact O-N 2.85Å; K185-E189 PolarHBondContact O-N 3.19Å
186R77.1Confident74.2Confident189 Ų189121.9 Ų121.971%0.71360%0.595SS**Hα-helixtrans-66.8-26.9177.7-75.7-169.3-179.8-171.12113.4F182 R183F182-R186 WeakPolarHBondContact O-CG 3.44Å; F182-R186 PolarHBondContact O-N 2.95Å; R183-R186 PolarHBondContact O-N 3.46Å
187R71.3Confident72.4Confident199 Ų199125.1 Ų125.175%0.75162%0.618SS**Hα-helixtrans-69.8-42.7174.3-76.5-171.2177.7-163.90.3111.9R183 C184 K185 E189 R190 E191R183-R187 PolarHBondContact O-N 3.25Å; C184-R187 PolarHBondContact O-N 2.94Å; K185-R187 VanDerWaalsContact C-N 3.28Å; K185-R187 PolarHBondContact O-N 3.31Å; R187-E189 VanDerWaalsContact C-N 3.26Å; R187-E189 PolarHBondContact O-N 2.91Å; R187-R190 PolarHBondContact O-N 2.93Å; R187-R190 VanDerWaalsContact O-N 3.08Å; R187-E191 PolarHBondContact O-N 3.25Å; R187-E191 VanDerWaalsContact O-N 3.12Å
188K68.5Low70.5Confident162 Ų162125.3 Ų125.370%0.70463%0.627SS**Hα-helixtrans-61.3-34.3179.6-67-174.1178.3-171.90112.9C184 K185 R190 S192C184-K188 PolarHBondContact O-N 2.73Å; K185-K188 PolarHBondContact O-N 2.85Å; K188-R190 VanDerWaalsContact C-N 3.34Å; K188-S192 PolarHBondContact O-N 3.48Å; K188-S192 PolarHBondContact O-OG 3.09Å
189E66.4Low68.4Low139 Ų139131.5 Ų131.565%0.6566%0.655SS**Hα-helixtrans-75.6-21.9178.2-157170.7-170.400113.1K185 R187 S192K185-E189 PolarHBondContact O-N 3.19Å; R187-E189 VanDerWaalsContact C-N 3.26Å; R187-E189 PolarHBondContact O-N 2.91Å; E189-S192 PolarHBondContact O-OG 2.83Å
190R60.1Low66.4Low211 Ų211135.5 Ų135.580%0.79668%0.676SS**Hα-helixtrans-86.6-26.8175.2-73.4-165.1172.5-163.5-3.1113.6R187 K188R187-R190 PolarHBondContact O-N 2.93Å; R187-R190 VanDerWaalsContact O-N 3.08Å; K188-R190 VanDerWaalsContact C-N 3.34Å
191E61.7Low64.6Low157 Ų157139 Ų13973%0.73470%0.695SS**Hα-helixtrans-78.2-33.5178.5-164.115592.700112.2R187 L193 N194R187-E191 PolarHBondContact O-N 3.25Å; R187-E191 VanDerWaalsContact O-N 3.12Å; E191-L193 PolarHBondContact O-N 3Å; E191-N194 PolarHBondContact O-N 2.99Å; E191-N194 VanDerWaalsContact O-N 3.14Å
192S54.7Low62.8Low86 Ų86141.6 Ų141.660%0.60171%0.714SS**THydrogen-bonded Turntrans-68.3-14.1174.957.20000114.5K188 E189K188-S192 PolarHBondContact O-N 3.48Å; K188-S192 PolarHBondContact O-OG 3.09Å; E189-S192 PolarHBondContact O-OG 2.83Å
193L60.9Low60.8Low158 Ų158141.4 Ų141.483%0.82773%0.725SS**THydrogen-bonded Turntrans-92.81.6176.4-139.6146.8000112.2E191E191-L193 PolarHBondContact O-N 3Å
194N55.1Low59.2Low133 Ų133142.8 Ų142.871%0.71174%0.743SS**  trans-127.546177.3-157.5-3.7000111.5E191 P196E191-N194 PolarHBondContact O-N 2.99Å; E191-N194 VanDerWaalsContact O-N 3.14Å; N194-P196 WeakPolarHBondContact O-CD 3.48Å
195V55Low57.4Low120 Ų120146.5 Ų146.573%0.72776%0.757SS**  trans-98.6106.1161.3179.90000107.2
196P52.4Low55.9Low99 Ų99146.2 Ų146.264%0.64377%0.767SS**  trans-70.9139.6176.921.6-22.7000111.3N194 A198N194-P196 WeakPolarHBondContact O-CD 3.48Å; P196-A198 VanDerWaalsContact C-N 3.33Å; P196-A198 PolarHBondContact O-N 3.1Å
197S50.9Low54.2Low133 Ų133143.8 Ų143.893%0.9377%0.773SS**SBendtrans-42.574.2172.4-49.70000115.9
198A50.2Low53.1Low86 Ų86144.3 Ų144.371%0.71178%0.776SS**  trans-131.866174.200000110.9P196P196-A198 VanDerWaalsContact C-N 3.33Å; P196-A198 PolarHBondContact O-N 3.1Å
199Q44.3Very low51.8Low188 Ų188145 Ų14588%0.87978%0.779SS**  trans-173.577.4160.7-108169.818.200110.4
200F46.8Very low50.9Low212 Ų212142.4 Ų142.493%0.9377%0.774SS**  trans-157.884161.4-115.5-78.8000109.3
201T52.4Low49.9Very low136 Ų136137.6 Ų137.683%0.83476%0.764SS**  trans-173.196.314430.30000109
202S50Low49.1Very low108 Ų108136.9 Ų136.976%0.75576%0.761SS**  trans37.5140.5133.447.80000122.4
203P45.7Very low48.7Very low123 Ų123141.6 Ų141.680%0.79977%0.767SS**  trans-90120.7-171.835.4-28.1000112.2
204L54.7Low47.8Very low178 Ų178139.8 Ų139.893%0.93276%0.764SS**  trans-149.9106.4157.7-88.4170000108.5
205D45.2Very low47.4Very low154 Ų154140 Ų14082%0.82477%0.77SS**  trans-60.6176.7163.7-91.8-37.5000112
206P50Low47.2Very low100 Ų100141 Ų14165%0.64978%0.777SS**  cis-138.2-177.6-38.939.5-22000111.8
207V43Very low46.8Very low138 Ų138143.5 Ų143.584%0.83679%0.785SS**  trans59.696.9157.1-169.70000118.2
208Y47.4Very low46.4Very low209 Ų209141.9 Ų141.982%0.8277%0.771SS**  trans-158.5120.4141.4-165.3-111.6000110.7P210Y208-P210 HydrophobicContact CD1-CG 4.15Å; Y208-P210 HydrophobicContact CE1-CG 3.39Å; Y208-P210 HydrophobicContact CE2-CG 4.28Å; Y208-P210 VanDerWaalsContact CZ-CG 3.46Å; Y208-P210 WeakPolarHBondContact OH-CG 3.11Å
209K41Very low45.9Very low176 Ų176144.5 Ų144.577%0.76578%0.778SS**  trans-134.6124.4166.9-166.9-176.6-174.4178.90107.7N211K209-N211 WeakPolarHBondContact CE-OD1 3.49Å
210P46.8Very low46.2Very low85 Ų85141.3 Ų141.355%0.55278%0.777SS**  trans-132.3136.1146.116.65000110.9Y208Y208-P210 HydrophobicContact CD1-CG 4.15Å; Y208-P210 HydrophobicContact CE1-CG 3.39Å; Y208-P210 HydrophobicContact CE2-CG 4.28Å; Y208-P210 VanDerWaalsContact CZ-CG 3.46Å; Y208-P210 WeakPolarHBondContact OH-CG 3.11Å
211N40.6Very low46.6Very low110 Ų110137.7 Ų137.759%0.58877%0.771SS**  trans-71.4163.6169.7-57.4-33.1000110.3K209K209-N211 WeakPolarHBondContact CE-OD1 3.49Å
212Q45Very low46.4Very low143 Ų143136.8 Ų136.867%0.66877%0.768SS**  trans73.5132.8150.2-96.2171.7-47.700115.3
213Y44.5Very low46.4Very low185 Ų185137.3 Ų137.373%0.72577%0.769SS**  cis-168.2-166.319.7-28.1-114.3000106.1
214P43.8Very low46.2Very low119 Ų119135.2 Ų135.277%0.77377%0.769SS**  -119.3173-65.730.7-9.5000112.4
215V46.4Very low45.8Very low138 Ų138136.5 Ų136.584%0.83676%0.763SS**  trans-61.4133.5178.3169.70000112.9
216V50.6Low46.3Very low142 Ų142133.7 Ų133.786%0.86175%0.754SS**  trans-140.2140.9151.9-163.20000110.8
217N44.1Very low46.1Very low151 Ų151135 Ų13581%0.80776%0.76SS**  trans-56.2164.8-164.5-133.613.6000118.1
218P42.6Very low46.4Very low99 Ų99137.4 Ų137.464%0.64376%0.755SS**  trans-95.4135.2-165.837.1-30.7000112.3
219T38.9Very low47.1Very low140 Ų140133.1 Ų133.186%0.85975%0.753SS**  trans-163100.8152.9-33.40000110.2
220S51.8Low47.8Very low122 Ų122135.5 Ų135.585%0.85376%0.758SS**  trans169.4103.114539.50000110.4
221V53.6Low48.6Very low135 Ų135136.6 Ų136.682%0.81877%0.766SS**  trans-81.6139.9165.5176.50000106.1
222P49.5Very low48.8Very low117 Ų117136.6 Ų136.676%0.7677%0.771SS**  -160.2-168.586.944.1-20.7000114.7
223P48.8Very low48.9Very low119 Ų119137.5 Ų137.577%0.77378%0.781SS**  -130164.6-73.837.9-21.7000113.2
224G42.6Very low48.9Very low79 Ų79132.4 Ų132.481%0.81478%0.784SS**  trans95.296.3140.900000118.1
225Y44.7Very low48.7Very low206 Ų206135.4 Ų135.481%0.80879%0.788SS**  trans-135.1138.4141.256.4-89.7000109.4
226P55.7Low48.5Very low95 Ų95140.3 Ų140.362%0.61779%0.793SS**PPolyproline II helixtrans-72.9136-178.328.5-32.8000111.1Y228P226-Y228 HydrophobicContact CB-CE2 4.35Å; P226-Y228 HydrophobicContact CG-CE2 4.12Å
227V47.8Very low48.4Very low128 Ų128138.9 Ų138.978%0.77678%0.784SS**PPolyproline II helixtrans-88.6121.5172.2175.80000108.1
228Y47.8Very low48.7Very low188 Ų188135 Ų13574%0.73778%0.78SS**PPolyproline II helixtrans-101.3134.3169.8-67.2-74.2000110.8P226P226-Y228 HydrophobicContact CB-CE2 4.35Å; P226-Y228 HydrophobicContact CG-CE2 4.12Å
229P62.8Low48.7Very low119 Ų119140.7 Ų140.777%0.77379%0.79SS**PPolyproline II helixtrans-73.4133.7-178.7-12.227.5000112.2
230Y54.7Low48.9Very low226 Ų226139.4 Ų139.489%0.88678%0.784SS**PPolyproline II helixtrans-71.4134.1165.4-89-94000110.4
231P64.2Low48.6Very low108 Ų108142.2 Ų142.270%0.70178%0.784SS**PPolyproline II helixtrans-74.2143.7169.229.5-31.9000110.6
232P45.3Very low47.9Very low109 Ų109142.3 Ų142.371%0.70878%0.78SS**PPolyproline II helixtrans-76.7138.5175.732.3-30.4000109.5
233N46.8Very low47.7Very low163 Ų163141.7 Ų141.787%0.87277%0.774SS**SBendtrans74.3102.5157.6-52.6-20.2000117.7
234G44.4Very low47.6Very low77 Ų77142.6 Ų142.679%0.79477%0.772SS**  106.615112.700000121.1
235Q40.7Very low48Very low182 Ų182144.5 Ų144.585%0.8577%0.768SS**  trans-136.1104.2171.3-78-166.7-29.800113.5
236Y42Very low48Very low241 Ų241139.9 Ų139.995%0.94576%0.763SS**  trans-73.3118.6164.5-114.2-96000108.9
237V47.4Very low47.4Very low112 Ų112145.1 Ų145.168%0.67978%0.777SS**  trans-103.2116169.6-171.20000106.9
238G50.4Low47.3Very low70 Ų70143.9 Ų143.972%0.72278%0.78SS**  trans-105.5131.1176.400000111.4
239Y43.2Very low47Very low218 Ų218140.8 Ų140.886%0.85578%0.783SS**  trans-94141.6171.7-73.1-85.8000111
240P43.3Very low46.5Very low113 Ų113141.9 Ų141.973%0.73479%0.787SS**  trans-106.3159-178.339-30.9000113.1
241Q45.1Very low46.5Very low182 Ų182136.5 Ų136.585%0.8578%0.78SS**  trans176.3153159.1-102.4179.230.200108.7
242N39.5Very low45.5Very low136 Ų136137.3 Ų137.373%0.72779%0.785SS**  cis-173.7123.4-21.2-125.4-5.9000105.5
243V45.4Very low45.6Very low105 Ų105137 Ų13764%0.63679%0.792SS**  trans40.7139.1135.4-103.80000126.3
244D46.8Very low45.5Very low138 Ų138137.3 Ų137.374%0.73879%0.792SS**  trans71.8137.3142.4-52.6-38.4000120.5
245V51Low45.8Very low119 Ų119139.1 Ų139.172%0.72179%0.79SS**  -163.6151.754.5-165.60000112.7F247V245-F247 HydrophobicContact CG1-CZ 4.47Å
246P44Very low46Very low109 Ų109136.9 Ų136.971%0.70879%0.789SS**  trans-121.2163.4179.140.4-27.3000116.6
247F43Very low46.1Very low205 Ų205131.4 Ų131.490%0.89978%0.776SS**  trans-138.7151.2167.4-53.9-76.8000113V245V245-F247 HydrophobicContact CG1-CZ 4.47Å
248A46.6Very low46Very low102 Ų102134.6 Ų134.684%0.84379%0.786SS**  trans-101.7172.7-151.400000117.7
249P40.2Very low45.7Very low122 Ų122137.4 Ų137.479%0.79279%0.789SS**  trans-114.7171.7-170.940.1-27.5000116.5
250V53.7Low45.8Very low143 Ų143130.8 Ų130.887%0.86779%0.787SS**  trans-129.1135175.6-179.90000111.1
251P53.5Low45.9Very low113 Ų113134.4 Ų134.473%0.73479%0.794SS**  trans-127.6163.7168.439.9-26.3000114.5
252P44Very low46Very low124 Ų124130.5 Ų130.581%0.80579%0.793SS**  trans-14213314232.4-14.6000112.4
253A46.4Very low46Very low103 Ų103127.7 Ų127.785%0.85180%0.796SS**  106.1129.280.400000111.5
254L44.9Very low45.6Very low169 Ų169128.7 Ų128.789%0.88581%0.808SS**  trans-120.1142.2175.8-156.794.1000108.5
255P50.4Low45.3Very low116 Ų116127.6 Ų127.675%0.75381%0.811SS**  trans-96.1147.4172.334-28.5000113.6
256T45.1Very low44.8Very low135 Ų135134 Ų13483%0.82882%0.822SS**  trans-65.4159.9174.946.20000115.4
257N45.3Very low44.8Very low125 Ų125132 Ų13267%0.66882%0.822SS**  140.8123.6116.9-163.13.3000112.2
258M45.1Very low44.9Very low180 Ų180128.8 Ų128.889%0.88782%0.819SS**  -179.2107126.2-88.6-57.3-172.400108.5
259T44.4Very low44.6Very low129 Ų129132.4 Ų132.479%0.79182%0.818SS**  trans-68.4141.7169.9-42.70000110.5
260G45.1Very low44.9Very low78 Ų78132.5 Ų132.580%0.80482%0.817SS**  trans-163121172.500000110.8
261E45.5Very low44.3Very low189 Ų189132.7 Ų132.788%0.88381%0.813SS**  trans-84.4161.6-151.1-139.7162.4113.400115.6
262A45.3Very low43.9Very low100 Ų100134.4 Ų134.483%0.82682%0.815SS**  trans-72143.9172.200000112.1
263G40.9Very low43.8Very low77 Ų77134.4 Ų134.479%0.79482%0.815SS**  trans-164.7101.3171.200000112.4
264S37.6Very low43.6Very low126 Ų126140 Ų14088%0.88182%0.816SS**  trans-79.2127.9167.6-47.20000109.4
265S40.5Very low43.4Very low116 Ų116136.9 Ų136.981%0.81181%0.806SS**  trans-144.2121.7166.6-171.60000110
266W38.8Very low42.7Very low252 Ų252137.5 Ų137.596%0.95581%0.808SS**  trans-95.8132.1170.2-77.588.6000108.6
267G44.2Very low42.4Very low69 Ų69138 Ų13871%0.71181%0.811SS**  trans100.210015900000115.7
268V44.8Very low42.4Very low136 Ų136143.1 Ų143.182%0.82482%0.821SS**  trans-144.6118.3144.5172.30000108T270V268-T270 PolarHBondContact O-N 3.47Å
269E41.3Very low42.4Very low179 Ų179139.2 Ų139.284%0.83681%0.809SS**  trans-58.1118.7164.1-94.4159.9108.700110.5
270T46.5Very low42.3Very low123 Ų123141 Ų14176%0.75581%0.813SS**  trans-92.1101159.7470000108.9V268 L272V268-T270 PolarHBondContact O-N 3.47Å; T270-L272 PolarHBondContact O-N 2.91Å
271N40.5Very low42.8Very low148 Ų148145.9 Ų145.979%0.79181%0.813SS**  trans-62.4118.9158.1-84.5-76.2000108.7
272L45.1Very low43.7Very low149 Ų149142.1 Ų142.178%0.7881%0.805SS**  trans-136.4121.1167.7-110.3149.9000107.8T270T270-L272 PolarHBondContact O-N 2.91Å
273P41.5Very low44.3Very low124 Ų124142.9 Ų142.981%0.80580%0.801SS**  trans-80.5128.3176.731.5-29000109
274Y43.3Very low45.3Very low219 Ų219144.4 Ų144.486%0.85980%0.797SS**  trans-122139.3169.3-144.5-103.5000110
275P41.5Very low46.5Very low104 Ų104144.4 Ų144.468%0.67579%0.794SS**  trans-81.3140.6-15731.4-29.9000112.6
276T35.3Very low47.2Very low129 Ų129148.6 Ų148.679%0.79179%0.794SS**  trans-81.5107.417637.90000111.2
277T39.1Very low47.4Very low146 Ų146143 Ų14390%0.89679%0.789SS**  trans-161.5101.4148.2-17.10000109.9
278R43.4Very low47.6Very low233 Ų233143.4 Ų143.488%0.87979%0.794SS**  trans-134.9134.3161.1-163.7172.1-156.4-134.62.5108.3
279P46Very low47.5Very low98 Ų98141 Ų14164%0.63679%0.789SS**  trans-69.9134.7-169.4-13.928.6000111.9F281P279-F281 HydrophobicContact CB-CE2 4.28Å; P279-F281 PolarHBondContact O-N 3.11Å
280D43.3Very low47.7Very low166 Ų166137.4 Ų137.489%0.88878%0.783SS**  trans-67.7110169.4-64.7-58.5000109.4
281F55Low47.5Very low181 Ų181139.8 Ų139.879%0.79479%0.789SS**PPolyproline II helixtrans-97.4130.9164-78.5-84000108.8P279P279-F281 HydrophobicContact CB-CE2 4.28Å; P279-F281 PolarHBondContact O-N 3.11Å
282P63Low47.4Very low109 Ų109136.6 Ų136.671%0.70878%0.779SS**PPolyproline II helixtrans-68.1148.6175.728.9-33.5000110.7
283P58.4Low47.2Very low116 Ų116136.7 Ų136.775%0.75378%0.78SS**PPolyproline II helixtrans-67.1153.2177.428.4-33.9000111.7
284P62.4Low46.9Very low110 Ų110135.7 Ų135.771%0.71478%0.782SS**PPolyproline II helixtrans-66.6153.9178.128.4-34.4000112
285P63Low46.5Very low126 Ų126134.4 Ų134.482%0.81878%0.784SS**PPolyproline II helixtrans-68.4136.8179.727.2-31.7000111.3
286Y53.8Low46.6Very low204 Ų204136 Ų13680%0.879%0.792SS**PPolyproline II helixtrans-62.6142.3177.4-82.2-89.2000111.7G288Y286-G288 PolarHBondContact O-N 3.14Å; Y286-G288 VanDerWaalsContact O-N 3.11Å
287P44.2Very low46.7Very low133 Ų133138.5 Ų138.586%0.86479%0.794SS**THydrogen-bonded Turntrans-71.1108173.328.5-29.7000108.9
288G48.2Very low46.8Very low78 Ų78135.7 Ų135.780%0.80479%0.786SS**THydrogen-bonded Turntrans149.2-5174.900000116.9Y286 S290Y286-G288 PolarHBondContact O-N 3.14Å; Y286-G288 VanDerWaalsContact O-N 3.11Å; G288-S290 PolarHBondContact O-N 3.24Å
289A43Very low46.7Very low87 Ų87130.2 Ų130.272%0.71978%0.783SS**  trans-79104.7173.100000110.4I291A289-I291 PolarHBondContact O-N 2.88Å
290S44.8Very low46.6Very low102 Ų102130 Ų13071%0.71379%0.789SS**  trans-59.8114.4163.750.50000108.8G288 S292G288-S290 PolarHBondContact O-N 3.24Å; S290-S292 PolarHBondContact O-N 3.19Å
291I41.8Very low46.7Very low173 Ų173127.4 Ų127.489%0.88778%0.782SS**  trans-74.379.7171.3-52.5170.3000106.9A289A289-I291 PolarHBondContact O-N 2.88Å
292S38.6Very low46.1Very low82 Ų82123.2 Ų123.257%0.57378%0.775SS**  trans-105.9100.415958.20000106S290S290-S292 PolarHBondContact O-N 3.19Å
293N40.6Very low45.2Very low151 Ų151122.4 Ų122.481%0.80777%0.772SS**  179119.9120.3-78.5-15.9000108.6
294A36.4Very low44.9Very low102 Ų102121.1 Ų121.184%0.84376%0.762SS**  trans-67.1131.3175.600000109.9
295E34.8Very low44.2Very low193 Ų193126.6 Ų126.690%0.90277%0.769SS**  trans-127.384.7163.8-156.4150.2144.300107.6
296V43.5Very low43.3Very low138 Ų138129 Ų12984%0.83677%0.771SS**  trans-126.9115.1165.31790000107.2
297H36.7Very low43Very low180 Ų180125.2 Ų125.283%0.83377%0.769SS**  trans-21.1132.8166.4-81.1-150.8000116
298A41.5Very low43.1Very low88 Ų88128.3 Ų128.373%0.72777%0.769SS**  166.2138.199.600000111.9
299S42.1Very low43.1Very low118 Ų118133.6 Ų133.683%0.82579%0.794SS**  trans83.7105.6151.5-40.90000118.9
300A42.8Very low43.1Very low93 Ų93136 Ų13677%0.76980%0.798SS**  trans-57.7178.5156.800000111.8
301P45.6Very low43.1Very low111 Ų111137.7 Ų137.772%0.72180%0.802SS**  cis-147.3176.417.639-15.8000118.9
302S43.1Very low43.1Very low94 Ų94135.8 Ų135.866%0.65780%0.797SS**  trans72.9109.6138.759.80000120.6
303S44.7Very low43.4Very low92 Ų92138.9 Ų138.964%0.64381%0.811SS**  85.7122.1119.769.50000117.7
304T50.7Low43.6Very low89 Ų89138.2 Ų138.255%0.54681%0.811SS.*  trans79.5134.7133.363.40000115.9
305W48.4Very low44Very low225 Ų225140.6 Ų140.685%0.85281%0.809SS**  cis-157.814926.9-51.275.3000110
306M44.6Very low44.7Very low175 Ų175136.9 Ų136.986%0.86280%0.802SS**  trans7.4124.9149.3-73.9-172.8-174.100122.9
307T47Very low44.8Very low125 Ų125136.8 Ų136.877%0.76780%0.799SS**  57.3126120.1-10.50000123
308K45.7Very low45.5Very low198 Ų198133.2 Ų133.286%0.86180%0.797SS**  96.699.6130-147.9175.2-174.5177.60119
309S49.5Very low45.8Very low190 Ų190137.3 Ų137.3100%1.32980%0.803SS**  -168.90120.756.50000108.9

Retrieved 309 of 309 residues in 304.5 ms (Link to these results)