A0A087XBA7_POEFO Loading...

Interleukin 10 receptor, alpha

AlphaFold DB , UniProt , Accession A0A087XBA7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 561 aa.

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

Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M47.3Very low62.4Low247 Ų247131.8 Ų131.8100%1.21766%0.661SS**  01110-72.5165.580.800106.9
2D48.6Very low63.1Low123 Ų123131.1 Ų131.166%0.65865%0.651SS**  trans-83.2155.1-160-132.8-54.9000113.1K4D2-K4 VanDerWaalsContact C-N 3.29Å; D2-K4 PolarHBondContact O-N 3.49Å
3K58.7Low63.7Low174 Ų174128.2 Ų128.276%0.75764%0.638SS**SBendtrans-82.3-6.6-179.3-82.5-178.9177.5175.80113.2
4K59.4Low64Low172 Ų172126.5 Ų126.575%0.74863%0.631SS**SBendtrans-79.5-21.2-172.3-88.5-178.4172.1177.80116.2D2 P7D2-K4 VanDerWaalsContact C-N 3.29Å; D2-K4 PolarHBondContact O-N 3.49Å; K4-P7 WeakPolarHBondContact O-CD 3.32Å
5D58.4Low63.9Low99 Ų99124.9 Ų124.953%0.52963%0.625SS.*SBendtrans-85-16.8-173.8-52.3-41.3000113.4L8 I9D5-L8 PolarHBondContact O-N 3.35Å; D5-I9 HydrophobicContact CB-CD1 4.29Å; D5-I9 WeakPolarHBondContact O-CG1 3.41Å; D5-I9 PolarHBondContact O-N 3.3Å; D5-I9 VanDerWaalsContact O-N 3.11Å
6K60.7Low63.7Low141 Ų141125.3 Ų125.361%0.61362%0.622SS**Hα-helixtrans-55.6-46.4-178.2-62.2-172.4176.3-166.50115.3L8 L10K6-L8 VanDerWaalsContact C-N 3.34Å; K6-L8 PolarHBondContact O-N 3.01Å; K6-L10 PolarHBondContact O-N 2.89Å; K6-L10 VanDerWaalsContact O-N 3.07Å
7P68.5Low63.4Low81 Ų81124.6 Ų124.653%0.52662%0.619SS.*Hα-helixtrans-67.2-33.2177.826.3-35.7000112.7K4 L10 V11K4-P7 WeakPolarHBondContact O-CD 3.32Å; P7-L10 PolarHBondContact O-N 3.47Å; P7-V11 WeakPolarHBondContact O-CG2 3.3Å; P7-V11 PolarHBondContact O-N 3.21Å
8L66.8Low62.8Low127 Ų127121.4 Ų121.467%0.66562%0.624SS**Hα-helixtrans-67.8-43.4179.1-151.290000110.9D5 K6 L10 V11 F12D5-L8 PolarHBondContact O-N 3.35Å; K6-L8 VanDerWaalsContact C-N 3.34Å; K6-L8 PolarHBondContact O-N 3.01Å; L8-L10 VanDerWaalsContact C-N 3.31Å; L8-L10 PolarHBondContact O-N 3.34Å; L8-V11 PolarHBondContact O-N 3.44Å; L8-F12 PolarHBondContact O-N 3.11Å
9I72.7Confident62Low98 Ų98122.8 Ų122.850%0.50363%0.627SS.*Hα-helixtrans-62.2-38.8174.7-65.6164.1000111D5 F12 L13D5-I9 HydrophobicContact CB-CD1 4.29Å; D5-I9 WeakPolarHBondContact O-CG1 3.41Å; D5-I9 PolarHBondContact O-N 3.3Å; D5-I9 VanDerWaalsContact O-N 3.11Å; I9-F12 PolarHBondContact O-N 2.91Å; I9-L13 HydrophobicContact CG2-CD1 4.04Å; I9-L13 WeakPolarHBondContact O-CB 3.36Å; I9-L13 WeakPolarHBondContact O-CG 3.41Å; I9-L13 PolarHBondContact O-N 3.1Å
10L70.8Confident61.3Low105 Ų105122.4 Ų122.455%0.5563%0.63SS.*Hα-helixtrans-66.3-43.1177.1-165.178.6000112.1K6 P7 L8 L13 I14K6-L10 PolarHBondContact O-N 2.89Å; K6-L10 VanDerWaalsContact O-N 3.07Å; P7-L10 PolarHBondContact O-N 3.47Å; L8-L10 VanDerWaalsContact C-N 3.31Å; L8-L10 PolarHBondContact O-N 3.34Å; L10-L13 PolarHBondContact O-N 3.07Å; L10-I14 HydrophobicContact CD2-CD1 4.46Å; L10-I14 HydrophobicContact CG-CD1 4.14Å; L10-I14 VanDerWaalsContact O-CG1 3.3Å; L10-I14 WeakPolarHBondContact O-CG1 3.46Å; L10-I14 PolarHBondContact O-N 3.5Å
11V74.9Confident60.8Low83 Ų83121.4 Ų121.450%0.50363%0.634SS.*Hα-helixtrans-65.4-41.1175.81720000111P7 L8 I14 L15P7-V11 WeakPolarHBondContact O-CG2 3.3Å; P7-V11 PolarHBondContact O-N 3.21Å; L8-V11 PolarHBondContact O-N 3.44Å; V11-I14 PolarHBondContact O-N 3.29Å; V11-L15 HydrophobicContact CG1-CD1 4.06Å; V11-L15 WeakPolarHBondContact O-CG 3.39Å; V11-L15 PolarHBondContact O-N 2.78Å
12F70.8Confident61.2Low123 Ų123112 Ų11254%0.53960%0.601SS.*Hα-helixtrans-58.7-48171.6-115.7-105.9000111.3L8 I9 I14 L15 F16L8-F12 PolarHBondContact O-N 3.11Å; I9-F12 PolarHBondContact O-N 2.91Å; F12-I14 VanDerWaalsContact C-N 3.35Å; F12-I14 PolarHBondContact O-N 3.46Å; F12-L15 PolarHBondContact O-N 2.88Å; F12-F16 AromaticContact CD1-CD2 3.92Å; F12-F16 HydrophobicContact CD1-CD2 3.92Å; F12-F16 AromaticContact CD1-CE2 3.61Å; F12-F16 HydrophobicContact CD1-CE2 3.61Å; F12-F16 HydrophobicContact CE1-CD2 4.5Å; F12-F16 AromaticContact CE1-CE2 3.77Å; F12-F16 HydrophobicContact CE1-CE2 3.77Å; F12-F16 WeakPolarHBondContact O-CB 3.13Å; F12-F16 WeakPolarHBondContact O-CD2 3.13Å; F12-F16 PolarHBondContact O-N 3.41Å
13L69.8Low61.9Low93 Ų93111.9 Ų111.949%0.48760%0.604SS.*Hα-helixtrans-60-41.3176.6-83.7164000112.4I9 L10 F16 I17I9-L13 HydrophobicContact CG2-CD1 4.04Å; I9-L13 WeakPolarHBondContact O-CB 3.36Å; I9-L13 WeakPolarHBondContact O-CG 3.41Å; I9-L13 PolarHBondContact O-N 3.1Å; L10-L13 PolarHBondContact O-N 3.07Å; L13-F16 PolarHBondContact O-N 3.31Å; L13-I17 VanDerWaalsContact O-CB 3.31Å; L13-I17 WeakPolarHBondContact O-CB 3.31Å; L13-I17 WeakPolarHBondContact O-CD1 3.37Å; L13-I17 WeakPolarHBondContact O-CG1 3.49Å; L13-I17 PolarHBondContact O-N 2.87Å
14I67.9Low62.6Low105 Ų105107.9 Ų107.954%0.53860%0.604SS.*Hα-helixtrans-66-39.9177.4-68.9163.5000111.3L10 V11 F12 I17 G18L10-I14 HydrophobicContact CD2-CD1 4.46Å; L10-I14 HydrophobicContact CG-CD1 4.14Å; L10-I14 VanDerWaalsContact O-CG1 3.3Å; L10-I14 WeakPolarHBondContact O-CG1 3.46Å; L10-I14 PolarHBondContact O-N 3.5Å; V11-I14 PolarHBondContact O-N 3.29Å; F12-I14 VanDerWaalsContact C-N 3.35Å; F12-I14 PolarHBondContact O-N 3.46Å; I14-I17 PolarHBondContact O-N 3.46Å; I14-G18 PolarHBondContact O-N 3.35Å
15L63.4Low63.9Low103 Ų103100.1 Ų100.154%0.53957%0.571SS.*Hα-helixtrans-65.6-39.6173.7-71.7167.1000112V11 F12 H19V11-L15 HydrophobicContact CG1-CD1 4.06Å; V11-L15 WeakPolarHBondContact O-CG 3.39Å; V11-L15 PolarHBondContact O-N 2.78Å; F12-L15 PolarHBondContact O-N 2.88Å; L15-H19 PolarHBondContact O-CD2 2.85Å; L15-H19 PolarHBondContact O-N 3.31Å; L15-H19 VanDerWaalsContact O-N 3.1Å
16F60.1Low65.4Low131 Ų13197.5 Ų97.558%0.57556%0.559SS**Hα-helixtrans-70.3-37.6175.4-92.3-87.7000112.8F12 L13 H19 V20F12-F16 AromaticContact CD1-CD2 3.92Å; F12-F16 HydrophobicContact CD1-CD2 3.92Å; F12-F16 AromaticContact CD1-CE2 3.61Å; F12-F16 HydrophobicContact CD1-CE2 3.61Å; F12-F16 HydrophobicContact CE1-CD2 4.5Å; F12-F16 AromaticContact CE1-CE2 3.77Å; F12-F16 HydrophobicContact CE1-CE2 3.77Å; F12-F16 WeakPolarHBondContact O-CB 3.13Å; F12-F16 WeakPolarHBondContact O-CD2 3.13Å; F12-F16 PolarHBondContact O-N 3.41Å; L13-F16 PolarHBondContact O-N 3.31Å; F16-H19 CarbonylContact O-C 3.57Å; F16-H19 WeakPolarHBondContact O-CA 3.47Å; F16-H19 PolarHBondContact O-N 3.24Å; F16-H19 VanDerWaalsContact O-N 3.11Å; F16-V20 PolarHBondContact O-N 3.1Å; F16-V20 VanDerWaalsContact O-N 3.09Å
17I58.3Low66.8Low113 Ų11393.5 Ų93.558%0.57955%0.547SS*.Hα-helixtrans-67.7-39.2174.5-69.1161.8000110.4L13 I14 H19 V20L13-I17 VanDerWaalsContact O-CB 3.31Å; L13-I17 WeakPolarHBondContact O-CB 3.31Å; L13-I17 WeakPolarHBondContact O-CD1 3.37Å; L13-I17 WeakPolarHBondContact O-CG1 3.49Å; L13-I17 PolarHBondContact O-N 2.87Å; I14-I17 PolarHBondContact O-N 3.46Å; I17-H19 PolarHBondContact O-N 2.94Å; I17-V20 WeakPolarHBondContact O-CB 3.35Å; I17-V20 PolarHBondContact O-N 3.11Å; I17-V20 VanDerWaalsContact O-N 3.1Å
18G52.8Low68Low68 Ų6889.7 Ų89.770%0.70152%0.523SS*.Hα-helixtrans-65.1-18.6170.100000114.2I14I14-G18 PolarHBondContact O-N 3.35Å
19H48.2Very low69.3Low148 Ų14888.1 Ų88.169%0.68551%0.508SS*.THydrogen-bonded Turntrans-99.87.1172.3-86.7-62.8000114.2L15 F16 I17 S21L15-H19 PolarHBondContact O-CD2 2.85Å; L15-H19 PolarHBondContact O-N 3.31Å; L15-H19 VanDerWaalsContact O-N 3.1Å; F16-H19 CarbonylContact O-C 3.57Å; F16-H19 WeakPolarHBondContact O-CA 3.47Å; F16-H19 PolarHBondContact O-N 3.24Å; F16-H19 VanDerWaalsContact O-N 3.11Å; I17-H19 PolarHBondContact O-N 2.94Å; H19-S21 PolarHBondContact O-N 2.96Å
20V48.1Very low70.2Confident113 Ų11387.6 Ų87.669%0.68551%0.506SS*.  trans-71.684.2163.8179.60000107.4F16 I17 G22F16-V20 PolarHBondContact O-N 3.1Å; F16-V20 VanDerWaalsContact O-N 3.09Å; I17-V20 WeakPolarHBondContact O-CB 3.35Å; I17-V20 PolarHBondContact O-N 3.11Å; I17-V20 VanDerWaalsContact O-N 3.1Å; V20-G22 PolarHBondContact O-N 3.33Å
21S50.8Low71.4Confident102 Ų10283 Ų8371%0.71348%0.483SS*.  trans-48.8134.9176-62.50000110.3H19H19-S21 PolarHBondContact O-N 2.96Å
22G56.3Low72.3Confident51 Ų5182.3 Ų82.353%0.52648%0.476SS..  trans-48.4143.817200000111.1V20 A24V20-G22 PolarHBondContact O-N 3.33Å; G22-A24 PolarHBondContact O-N 2.85Å
23T62.3Low73.3Confident119 Ų11978 Ų7873%0.7346%0.458SS*.  trans-52.299.6-175.845.10000110.7I25 Q109T23-I25 PolarHBondContact O-N 2.92Å; T23-I25 VanDerWaalsContact O-N 3.07Å; T23-Q109 PolarHBondContact O-OE1 3.06Å
24A74Confident74.4Confident90 Ų9080 Ų8074%0.74446%0.46SS*.  trans-61.3115.8-169.100000110.8G22G22-A24 PolarHBondContact O-N 2.85Å
25I86.2Confident75.5Confident10 Ų1075.9 Ų75.95%0.05144%0.439CS..PPolyproline II helixtrans-55.8127.3-178.5-58.8-177.9000109.3T23 L104 E106 Q109 S111T23-I25 PolarHBondContact O-N 2.92Å; T23-I25 VanDerWaalsContact O-N 3.07Å; I25-L104 HydrophobicContact CG2-CB 3.99Å; I25-L104 HydrophobicContact CG2-CD2 3.77Å; I25-L104 HydrophobicContact CG2-CG 3.8Å; I25-E106 HydrophobicContact CD1-CB 3.56Å; I25-Q109 VanDerWaalsContact CD1-C 3.46Å; I25-Q109 HydrophobicContact CD1-CB 3.64Å; I25-Q109 WeakPolarHBondContact CD1-O 3.27Å; I25-Q109 HydrophobicContact CG1-CB 4.05Å; I25-S111 WeakPolarHBondContact O-CA 3.37Å; I25-S111 VanDerWaalsContact O-CB 3.23Å; I25-S111 WeakPolarHBondContact O-CB 3.27Å
26P89.4Confident76.7Confident43 Ų4372.4 Ų72.428%0.27942%0.423SS..PPolyproline II helixtrans-64.9137.7179.326.5-34.2000110.7P47P26-P47 HydrophobicContact CB-CB 3.63Å; P26-P47 HydrophobicContact CB-CG 4.1Å; P26-P47 HydrophobicContact CG-CB 3.62Å; P26-P47 HydrophobicContact CG-CG 3.7Å
27P91.4Very high77.6Confident57 Ų5768.4 Ų68.437%0.3741%0.406SS..PPolyproline II helixtrans-71.8157.2179.931.1-36000112.1K112P27-K112 WeakPolarHBondContact CB-O 3.32Å
28P93.2Very high78.4Confident2 Ų263.4 Ų63.41%0.01338%0.383CS..PPolyproline II helixtrans-54.7143.4173.7-21.529.8000112.7V31 W44 Y56 V102P28-V31 HydrophobicContact CB-CG2 4.34Å; P28-W44 HydrophobicContact CB-CB 4.25Å; P28-W44 HydrophobicContact CB-CG 4.25Å; P28-Y56 HydrophobicContact CB-CE1 4.31Å; P28-Y56 HydrophobicContact CG-CD1 4.1Å; P28-Y56 HydrophobicContact CG-CE1 3.93Å; P28-V102 HydrophobicContact CB-CG1 4.38Å; P28-V102 HydrophobicContact CG-CB 4.15Å; P28-V102 HydrophobicContact CG-CG1 3.83Å
29R93.4Very high80.1Confident93 Ų9365.9 Ų65.935%0.35138%0.376SS..EExtended strand (participates in β ladder)trans-96.1162.3177.2-62.3-165-64.5178-2.7111.1V31 E45 N46 E48R29-V31 VanDerWaalsContact C-N 3.33Å; R29-V31 PolarHBondContact O-N 2.83Å; R29-V31 VanDerWaalsContact O-N 3.08Å; R29-E45 HydrophobicContact CB-CB 4.01Å; R29-E45 PolarHBondContact N-O 3.11Å; R29-E45 PolarHBondContact O-N 3.24Å; R29-N46 PolarHBondContact NE-O 2.77Å; R29-N46 PolarHBondContact NH2-O 3.43Å; R29-E48 VanDerWaalsContact CZ-CG 3.47Å; R29-E48 IonicContact CZ-OE1 3.92Å; R29-E48 VanDerWaalsContact NH1-CD 3.33Å; R29-E48 VanDerWaalsContact NH1-CG 3.34Å; R29-E48 IonicContact NH1-OE1 2.76Å; R29-E48 PolarHBondContact NH1-OE1 3.01Å; R29-E48 VanDerWaalsContact NH2-CG 3.28Å; R29-E48 IonicContact NH2-OE1 2.68Å
30N92.8Very high82.1Confident87 Ų8758.9 Ų58.947%0.46534%0.344SS..EExtended strand (participates in β ladder)trans4250.3169.8-62.1-6.2000115.7N32 E45N30-N32 PolarHBondContact O-N 3.07Å; N30-N32 VanDerWaalsContact O-N 3.11Å; N30-E45 HydrophobicContact CB-CB 4.42Å; N30-E45 HydrophobicContact CB-CG 4.14Å; N30-E45 WeakPolarHBondContact CB-OE1 3.5Å; N30-E45 PolarHBondContact ND2-OE1 2.68Å; N30-E45 PolarHBondContact ND2-OE2 3.39Å
31V94.6Very high84.3Confident10 Ų1056.3 Ų56.36%0.06133%0.325CS..EExtended strand (participates in β ladder)trans-68.5107176.2-1800000110P28 R29 L42 H43 W44 V102 K114 K116P28-V31 HydrophobicContact CB-CG2 4.34Å; R29-V31 VanDerWaalsContact C-N 3.33Å; R29-V31 PolarHBondContact O-N 2.83Å; R29-V31 VanDerWaalsContact O-N 3.08Å; V31-L42 HydrophobicContact CG1-CD1 3.74Å; V31-H43 WeakPolarHBondContact CA-O 3.34Å; V31-W44 HydrophobicContact CG2-CB 3.89Å; V31-V102 HydrophobicContact CG1-CG2 4.29Å; V31-V102 HydrophobicContact CG2-CG2 4.47Å; V31-K114 HydrophobicContact CB-CG 4.15Å; V31-K114 HydrophobicContact CG2-CB 3.94Å; V31-K114 HydrophobicContact CG2-CG 3.44Å; V31-K114 VanDerWaalsContact CG2-CG 3.44Å; V31-K116 HydrophobicContact CG1-CB 4.15Å
32N94.4Very high86.4Confident68 Ų6851.4 Ų51.436%0.36429%0.291SS..EExtended strand (participates in β ladder)trans-119.8155.5-178.1-70.1-30.4000110.3N30 H43N30-N32 PolarHBondContact O-N 3.07Å; N30-N32 VanDerWaalsContact O-N 3.11Å; N32-H43 PolarHBondContact N-O 2.85Å; N32-H43 PolarHBondContact O-N 3.06Å
33L93Very high88.4Confident31 Ų3152.1 Ų52.116%0.16228%0.281CS..EExtended strand (participates in β ladder)trans-121.5142.1171.2-69.693.5000109.6I35 V40 I41 L42 L84 V100 K116 F118L33-I35 HydrophobicContact CB-CG1 4.46Å; L33-V40 HydrophobicContact CD2-CG1 3.73Å; L33-I41 WeakPolarHBondContact CA-O 3.42Å; L33-L42 HydrophobicContact CD1-CD1 3.97Å; L33-L42 HydrophobicContact CD2-CD1 4.36Å; L33-L42 HydrophobicContact CG-CD1 3.78Å; L33-L84 HydrophobicContact CD2-CD1 4.47Å; L33-V100 HydrophobicContact CD1-CG1 4Å; L33-V100 HydrophobicContact CD2-CG1 4.16Å; L33-V100 HydrophobicContact CG-CG1 4.48Å; L33-K116 HydrophobicContact CD1-CB 4.01Å; L33-K116 HydrophobicContact CD1-CG 3.34Å; L33-F118 HydrophobicContact CD1-CD1 4.42Å; L33-F118 HydrophobicContact CD2-CB 4.15Å; L33-F118 HydrophobicContact CD2-CD1 3.42Å; L33-F118 VanDerWaalsContact CD2-CD1 3.42Å; L33-F118 HydrophobicContact CD2-CD2 4.12Å; L33-F118 HydrophobicContact CD2-CE1 3.71Å; L33-F118 HydrophobicContact CD2-CE2 4.36Å; L33-F118 HydrophobicContact CD2-CG 3.65Å; L33-F118 HydrophobicContact CD2-CZ 4.17Å
34Y92.4Very high90Very high137 Ų13746.4 Ų46.454%0.53725%0.246SC..EExtended strand (participates in β ladder)trans-113.7121.9166.9-57.4-83.5000106.8V40 I41 H43Y34-V40 WeakPolarHBondContact O-CA 3.34Å; Y34-I41 PolarHBondContact N-O 3.46Å; Y34-I41 PolarHBondContact O-N 3.03Å; Y34-H43 HydrophobicContact CD2-CB 4.43Å; Y34-H43 HydrophobicContact CE2-CB 3.96Å
35I90.9Very high91Very high18 Ų1845.8 Ų45.89%0.09223%0.228CC..EExtended strand (participates in β ladder)trans-121.3124.8-178-57.9172.4000106.2L33 E39 V40 F118 L119 L120 G123 E124L33-I35 HydrophobicContact CB-CG1 4.46Å; I35-E39 WeakPolarHBondContact CA-O 3.45Å; I35-V40 HydrophobicContact CB-CG2 4.42Å; I35-V40 HydrophobicContact CG1-CG1 4.11Å; I35-V40 HydrophobicContact CG1-CG2 4.01Å; I35-V40 HydrophobicContact CG2-CG2 4.09Å; I35-F118 HydrophobicContact CD1-CB 4.06Å; I35-F118 HydrophobicContact CD1-CD2 3.67Å; I35-F118 HydrophobicContact CD1-CG 4.25Å; I35-L119 WeakPolarHBondContact CD1-O 3.48Å; I35-L120 HydrophobicContact CG2-CD2 4.44Å; I35-G123 CarbonylContact O-C 3.51Å; I35-G123 VanDerWaalsContact O-CA 3.28Å; I35-G123 WeakPolarHBondContact O-CA 3.49Å; I35-E124 PolarHBondContact O-N 2.92Å
36S88Confident91.3Very high29 Ų2949 Ų4920%0.20325%0.245CC..EExtended strand (participates in β ladder)trans-147.9121.8174.5-164.80000109.9G38 E39 E124 Q126S36-G38 PolarHBondContact O-N 2.82Å; S36-E39 PolarHBondContact N-O 3.43Å; S36-E39 WeakPolarHBondContact O-CB 3.08Å; S36-E39 PolarHBondContact O-N 3.09Å; S36-E124 WeakPolarHBondContact CA-O 3.37Å; S36-E124 PolarHBondContact OG-O 3.11Å; S36-Q126 WeakPolarHBondContact OG-CG 3.17Å; S36-Q126 PolarHBondContact OG-NE2 2.97Å
37E79.1Confident91.3Very high47 Ų4747.4 Ų47.422%0.2224%0.235CC..THydrogen-bonded Turntrans44.343.6178.8-53.3-155.8146.400114.8E39 Q126 N146 I148 L149E37-E39 VanDerWaalsContact C-N 3.26Å; E37-E39 PolarHBondContact O-N 3.11Å; E37-Q126 HydrophobicContact CG-CB 4.17Å; E37-Q126 HydrophobicContact CG-CG 4Å; E37-Q126 PolarHBondContact OE1-N 3.29Å; E37-N146 PolarHBondContact OE2-ND2 3.44Å; E37-I148 HydrophobicContact CB-CG2 4.34Å; E37-I148 VanDerWaalsContact O-CG2 3.25Å; E37-I148 WeakPolarHBondContact O-CG2 3.37Å; E37-L149 HydrophobicContact CG-CD2 4.4Å
38G75.6Confident91Very high8 Ų852 Ų528%0.08225%0.251CS..THydrogen-bonded Turntrans80-6179.100000115.6S36S36-G38 PolarHBondContact O-N 2.82Å
39E87.5Confident90.5Very high121 Ų12158.4 Ų58.457%0.56529%0.285SS*.EExtended strand (participates in β ladder)trans-76.2136.5159.9-62.1-165162.500110.2I35 S36 E37 S85I35-E39 WeakPolarHBondContact CA-O 3.45Å; S36-E39 PolarHBondContact N-O 3.43Å; S36-E39 WeakPolarHBondContact O-CB 3.08Å; S36-E39 PolarHBondContact O-N 3.09Å; E37-E39 VanDerWaalsContact C-N 3.26Å; E37-E39 PolarHBondContact O-N 3.11Å; E39-S85 WeakPolarHBondContact CA-OG 3.33Å
40V91.4Very high89.9Confident0 Ų055.6 Ų55.60%028%0.282CS..EExtended strand (participates in β ladder)trans-132.9119.9178.9-179.20000110.3L33 Y34 I35 L84 S85 I88 F118 L120L33-V40 HydrophobicContact CD2-CG1 3.73Å; Y34-V40 WeakPolarHBondContact O-CA 3.34Å; I35-V40 HydrophobicContact CB-CG2 4.42Å; I35-V40 HydrophobicContact CG1-CG1 4.11Å; I35-V40 HydrophobicContact CG1-CG2 4.01Å; I35-V40 HydrophobicContact CG2-CG2 4.09Å; V40-L84 HydrophobicContact CB-CB 4.16Å; V40-L84 HydrophobicContact CG1-CB 4.2Å; V40-L84 HydrophobicContact CG1-CD1 4Å; V40-L84 HydrophobicContact CG1-CG 4.48Å; V40-L84 PolarHBondContact O-N 3.19Å; V40-S85 PolarHBondContact N-OG 3.41Å; V40-I88 HydrophobicContact CB-CD1 3.51Å; V40-I88 HydrophobicContact CG1-CD1 4.04Å; V40-I88 HydrophobicContact CG2-CD1 3.35Å; V40-F118 HydrophobicContact CG1-CE2 4.34Å; V40-L120 HydrophobicContact CG2-CD2 3.69Å
41I93.9Very high89.4Confident59 Ų5952.9 Ų52.930%0.30327%0.269SS..EExtended strand (participates in β ladder)trans-114.4117.1179.6-47.3-173.6000108.4L33 Y34 C82 L83L33-I41 WeakPolarHBondContact CA-O 3.42Å; Y34-I41 PolarHBondContact N-O 3.46Å; Y34-I41 PolarHBondContact O-N 3.03Å; I41-C82 WeakPolarHBondContact CA-O 3.42Å; I41-L83 HydrophobicContact CB-CD2 4.37Å; I41-L83 HydrophobicContact CD1-CD2 4Å; I41-L83 HydrophobicContact CG1-CD2 3.72Å; I41-L83 HydrophobicContact CG2-CD2 4.13Å
42L95.6Very high88.8Confident0 Ų057.4 Ų57.40%031%0.307CS..EExtended strand (participates in β ladder)trans-88.8130.7171.5-176.268.2000108.9V31 L33 W44 V58 Y81 C82 L84 V100 V102V31-L42 HydrophobicContact CG1-CD1 3.74Å; L33-L42 HydrophobicContact CD1-CD1 3.97Å; L33-L42 HydrophobicContact CD2-CD1 4.36Å; L33-L42 HydrophobicContact CG-CD1 3.78Å; L42-W44 HydrophobicContact CB-CZ3 4.28Å; L42-W44 HydrophobicContact CD2-CE3 4.17Å; L42-W44 HydrophobicContact CD2-CZ3 3.8Å; L42-W44 HydrophobicContact CG-CE3 3.91Å; L42-W44 HydrophobicContact CG-CZ3 3.82Å; L42-V58 HydrophobicContact CD2-CG1 3.57Å; L42-V58 HydrophobicContact CD2-CG2 4.23Å; L42-Y81 CarbonylContact O-C 3.58Å; L42-Y81 WeakPolarHBondContact O-CA 3.44Å; L42-Y81 WeakPolarHBondContact O-CB 3.47Å; L42-C82 HydrophobicContact CB-CB 4.22Å; L42-C82 HydrophobicContact CD2-CB 4.45Å; L42-C82 PolarHBondContact N-O 2.88Å; L42-C82 PolarHBondContact O-N 2.91Å; L42-L84 HydrophobicContact CB-CD1 4.16Å; L42-L84 HydrophobicContact CB-CG 4.42Å; L42-V100 HydrophobicContact CD1-CG1 3.68Å; L42-V100 HydrophobicContact CD1-CG2 4.24Å; L42-V100 HydrophobicContact CD2-CG2 3.52Å; L42-V100 HydrophobicContact CG-CG2 4.47Å; L42-V102 HydrophobicContact CD2-CG2 3.47Å; L42-V102 VanDerWaalsContact CD2-CG2 3.47Å; L42-V102 HydrophobicContact CG-CG2 4.19Å
43H96.6Very high88.4Confident65 Ų6561 Ų6130%0.30133%0.326SS..EExtended strand (participates in β ladder)trans-129.6146.3176.8-173.2-84.2000110.5V31 N32 Y34V31-H43 WeakPolarHBondContact CA-O 3.34Å; N32-H43 PolarHBondContact N-O 2.85Å; N32-H43 PolarHBondContact O-N 3.06Å; Y34-H43 HydrophobicContact CD2-CB 4.43Å; Y34-H43 HydrophobicContact CE2-CB 3.96Å
44W96.1Very high88.3Confident0 Ų060 Ų600%032%0.323CS..EExtended strand (participates in β ladder)trans-145.4173.2174.957.893.4000111.3P28 V31 L42 Y56 V58 I77 R79 T80 C82 V102P28-W44 HydrophobicContact CB-CB 4.25Å; P28-W44 HydrophobicContact CB-CG 4.25Å; V31-W44 HydrophobicContact CG2-CB 3.89Å; L42-W44 HydrophobicContact CB-CZ3 4.28Å; L42-W44 HydrophobicContact CD2-CE3 4.17Å; L42-W44 HydrophobicContact CD2-CZ3 3.8Å; L42-W44 HydrophobicContact CG-CE3 3.91Å; L42-W44 HydrophobicContact CG-CZ3 3.82Å; W44-Y56 AromaticContact CD1-CD1 4Å; W44-Y56 AromaticContact CD1-CE1 3.64Å; W44-Y56 AromaticContact CD1-CZ 3.77Å; W44-Y56 AromaticContact CE2-CD1 3.97Å; W44-Y56 AromaticContact CE2-CD2 3.98Å; W44-Y56 AromaticContact CE2-CG 3.78Å; W44-Y56 HydrophobicContact CZ2-CD1 4.36Å; W44-Y56 AromaticContact CZ2-CD2 3.97Å; W44-Y56 HydrophobicContact CZ2-CD2 3.97Å; W44-Y56 AromaticContact CZ2-CG 3.76Å; W44-Y56 HydrophobicContact CZ2-CG 3.76Å; W44-Y56 AromaticContact NE1-CD1 3.22Å; W44-Y56 AromaticContact NE1-CD2 3.36Å; W44-Y56 AromaticContact NE1-CE1 3.22Å; W44-Y56 AromaticContact NE1-CE2 3.37Å; W44-Y56 AromaticContact NE1-CG 3.29Å; W44-Y56 VanDerWaalsContact NE1-CG 3.29Å; W44-Y56 AromaticContact NE1-CZ 3.31Å; W44-Y56 VanDerWaalsContact NE1-CZ 3.31Å; W44-V58 HydrophobicContact CH2-CG2 3.8Å; W44-V58 HydrophobicContact CZ3-CG2 4.18Å; W44-I77 HydrophobicContact CH2-CD1 3.89Å; W44-I77 HydrophobicContact CZ2-CD1 4.13Å; W44-R79 WeakPolarHBondContact CZ2-O 3.48Å; W44-T80 VanDerWaalsContact CD2-O 3.26Å; W44-T80 PolarHBondContact N-O 3.47Å; W44-T80 WeakPolarHBondContact O-CB 3.39Å; W44-C82 HydrophobicContact CH2-CB 3.89Å; W44-C82 HydrophobicContact CZ3-CB 3.86Å; W44-V102 HydrophobicContact CD2-CG1 3.84Å; W44-V102 HydrophobicContact CD2-CG2 4.28Å; W44-V102 HydrophobicContact CE3-CG1 4.2Å; W44-V102 HydrophobicContact CE3-CG2 3.91Å; W44-V102 HydrophobicContact CG-CG1 4.26Å; W44-V102 HydrophobicContact CH2-CG1 4.43Å; W44-V102 HydrophobicContact CZ2-CG1 4.08Å; W44-V102 HydrophobicContact CZ3-CG1 4.48Å; W44-V102 HydrophobicContact CZ3-CG2 4.23Å
45E94.9Very high88.4Confident77 Ų7755.5 Ų55.536%0.3631%0.309SS..EExtended strand (participates in β ladder)trans-115.1147.8176.2-75.7170.4-146.300111R29 N30R29-E45 HydrophobicContact CB-CB 4.01Å; R29-E45 PolarHBondContact N-O 3.11Å; R29-E45 PolarHBondContact O-N 3.24Å; N30-E45 HydrophobicContact CB-CB 4.42Å; N30-E45 HydrophobicContact CB-CG 4.14Å; N30-E45 WeakPolarHBondContact CB-OE1 3.5Å; N30-E45 PolarHBondContact ND2-OE1 2.68Å; N30-E45 PolarHBondContact ND2-OE2 3.39Å
46N92.6Very high88.6Confident78 Ų7854.8 Ų54.842%0.41731%0.306SS..  trans-62.1140.5171.5-75.125.1000110.6R29 A50 Y56 T80R29-N46 PolarHBondContact NE-O 2.77Å; R29-N46 PolarHBondContact NH2-O 3.43Å; N46-A50 HydrophobicContact CB-CB 4.29Å; N46-Y56 PolarHBondContact OD1-OH 2.77Å; N46-T80 WeakPolarHBondContact OD1-CG2 3.23Å
47P90.5Very high89Confident9 Ų954.8 Ų54.86%0.05830%0.303CS..  trans-65.8154.5163.327.5-31000110.6P26 N49 A50 L104P26-P47 HydrophobicContact CB-CB 3.63Å; P26-P47 HydrophobicContact CB-CG 4.1Å; P26-P47 HydrophobicContact CG-CB 3.62Å; P26-P47 HydrophobicContact CG-CG 3.7Å; P47-N49 PolarHBondContact O-N 2.97Å; P47-A50 HydrophobicContact CG-CB 3.9Å; P47-A50 WeakPolarHBondContact O-CB 3.38Å; P47-A50 PolarHBondContact O-N 2.8Å; P47-A50 VanDerWaalsContact O-N 3.11Å; P47-L104 HydrophobicContact CG-CD2 3.72Å
48E83.5Confident89.8Confident153 Ų15352.6 Ų52.672%0.71529%0.293SS*.THydrogen-bonded Turntrans-63.4-29.8-174-62.1177.1171.700113.1R29R29-E48 VanDerWaalsContact CZ-CG 3.47Å; R29-E48 IonicContact CZ-OE1 3.92Å; R29-E48 VanDerWaalsContact NH1-CD 3.33Å; R29-E48 VanDerWaalsContact NH1-CG 3.34Å; R29-E48 IonicContact NH1-OE1 2.76Å; R29-E48 PolarHBondContact NH1-OE1 3.01Å; R29-E48 VanDerWaalsContact NH2-CG 3.28Å; R29-E48 IonicContact NH2-OE1 2.68Å
49N82.6Confident90.7Very high136 Ų13654 Ų5473%0.72730%0.298SS*.THydrogen-bonded Turntrans-111.345.4175.6-56.7-49.9000110.4P47P47-N49 PolarHBondContact O-N 2.97Å
50A81.8Confident91Very high34 Ų3448.7 Ų48.728%0.28127%0.273SS..  trans-65.7128.2171.800000110.1N46 P47 L104N46-A50 HydrophobicContact CB-CB 4.29Å; P47-A50 HydrophobicContact CG-CB 3.9Å; P47-A50 WeakPolarHBondContact O-CB 3.38Å; P47-A50 PolarHBondContact O-N 2.8Å; P47-A50 VanDerWaalsContact O-N 3.11Å; A50-L104 HydrophobicContact CB-CD2 4.42Å
51P83.3Confident91Very high31 Ų3149.1 Ų49.120%0.20128%0.275CS..  trans-66.2146.2171.1-11.324.9000110.8D53 A54 E106P51-D53 PolarHBondContact O-N 2.99Å; P51-A54 HydrophobicContact CB-CB 4.02Å; P51-A54 HydrophobicContact CG-CB 4.09Å; P51-A54 WeakPolarHBondContact O-CB 3.5Å; P51-A54 PolarHBondContact O-N 2.79Å; P51-E106 HydrophobicContact CB-CG 4.23Å; P51-E106 WeakPolarHBondContact CB-OE1 3.5Å; P51-E106 HydrophobicContact CG-CB 4.44Å; P51-E106 HydrophobicContact CG-CG 4.42Å; P51-E106 VanDerWaalsContact CG-OE2 3.27Å; P51-E106 WeakPolarHBondContact CG-OE2 3.29Å
52A81.4Confident90.7Very high104 Ų10450 Ų5086%0.8628%0.277SS*.THydrogen-bonded Turntrans-66.7-35.8-172.800000113.3A54A52-A54 VanDerWaalsContact C-N 3.33Å
53D85.8Confident90.1Very high144 Ų14455.5 Ų55.577%0.7730%0.298SS*.THydrogen-bonded Turntrans-93.612.1-178.5-59-42.1000112.9P51P51-D53 PolarHBondContact O-N 2.99Å
54A89.9Confident89.4Confident10 Ų1058.5 Ų58.58%0.08332%0.321CS..  trans-81.1143.7-177.600000112.5P51 A52 L104 V105 E106P51-A54 HydrophobicContact CB-CB 4.02Å; P51-A54 HydrophobicContact CG-CB 4.09Å; P51-A54 WeakPolarHBondContact O-CB 3.5Å; P51-A54 PolarHBondContact O-N 2.79Å; A52-A54 VanDerWaalsContact C-N 3.33Å; A54-L104 HydrophobicContact CB-CD1 3.44Å; A54-L104 VanDerWaalsContact CB-CD1 3.44Å; A54-L104 HydrophobicContact CB-CD2 4.34Å; A54-L104 HydrophobicContact CB-CG 3.91Å; A54-V105 CarbonylContact C-O 3.56Å; A54-V105 VanDerWaalsContact CA-O 3.32Å; A54-V105 WeakPolarHBondContact CA-O 3.29Å; A54-E106 HydrophobicContact CB-CB 4.21Å
55V94.8Very high88.7Confident42 Ų4260.3 Ų60.326%0.25534%0.336SS..EExtended strand (participates in β ladder)trans-121.6153.1-178.1-63.90000111.6T78 V105V55-T78 HydrophobicContact CG1-CG2 4.13Å; V55-V105 HydrophobicContact CG2-CB 4.29Å; V55-V105 PolarHBondContact N-O 2.88Å; V55-V105 PolarHBondContact O-N 2.8Å
56Y95.6Very high87.9Confident4 Ų464 Ų642%0.01636%0.357CS..EExtended strand (participates in β ladder)trans-96.9140.3177.5-61.5-77.3000112P28 W44 N46 G76 I77 T80 V102 Q103 L104P28-Y56 HydrophobicContact CB-CE1 4.31Å; P28-Y56 HydrophobicContact CG-CD1 4.1Å; P28-Y56 HydrophobicContact CG-CE1 3.93Å; W44-Y56 AromaticContact CD1-CD1 4Å; W44-Y56 AromaticContact CD1-CE1 3.64Å; W44-Y56 AromaticContact CD1-CZ 3.77Å; W44-Y56 AromaticContact CE2-CD1 3.97Å; W44-Y56 AromaticContact CE2-CD2 3.98Å; W44-Y56 AromaticContact CE2-CG 3.78Å; W44-Y56 HydrophobicContact CZ2-CD1 4.36Å; W44-Y56 AromaticContact CZ2-CD2 3.97Å; W44-Y56 HydrophobicContact CZ2-CD2 3.97Å; W44-Y56 AromaticContact CZ2-CG 3.76Å; W44-Y56 HydrophobicContact CZ2-CG 3.76Å; W44-Y56 AromaticContact NE1-CD1 3.22Å; W44-Y56 AromaticContact NE1-CD2 3.36Å; W44-Y56 AromaticContact NE1-CE1 3.22Å; W44-Y56 AromaticContact NE1-CE2 3.37Å; W44-Y56 AromaticContact NE1-CG 3.29Å; W44-Y56 VanDerWaalsContact NE1-CG 3.29Å; W44-Y56 AromaticContact NE1-CZ 3.31Å; W44-Y56 VanDerWaalsContact NE1-CZ 3.31Å; N46-Y56 PolarHBondContact OD1-OH 2.77Å; Y56-G76 PolarHBondContact O-N 2.98Å; Y56-I77 WeakPolarHBondContact CD2-O 3.47Å; Y56-I77 PolarHBondContact N-O 2.99Å; Y56-I77 WeakPolarHBondContact O-CG1 3.48Å; Y56-I77 PolarHBondContact O-N 2.86Å; Y56-T80 HydrophobicContact CE2-CG2 4.27Å; Y56-V102 HydrophobicContact CD1-CG1 4.05Å; Y56-Q103 VanDerWaalsContact CA-O 3.29Å; Y56-Q103 WeakPolarHBondContact CA-O 3.44Å; Y56-L104 HydrophobicContact CD1-CB 4.2Å; Y56-L104 HydrophobicContact CD1-CD1 3.85Å; Y56-L104 HydrophobicContact CE1-CB 4.03Å; Y56-L104 HydrophobicContact CE1-CD1 3.58Å; Y56-L104 HydrophobicContact CE1-CG 4.24Å; Y56-L104 HydrophobicContact CE2-CD1 4.37Å; Y56-L104 HydrophobicContact CG-CD1 4.36Å
57N95.9Very high87.6Confident29 Ų2966.5 Ų66.516%0.15537%0.371CS..EExtended strand (participates in β ladder)trans-114138.4167-74.3-20.1000109.6M75 G76 V102 Q103 W113N57-M75 HydrophobicContact CB-CE 3.92Å; N57-M75 HydrophobicContact CB-SD 4Å; N57-M75 VanDerWaalsContact CG-CE 3.5Å; N57-G76 PolarHBondContact OD1-N 3.4Å; N57-V102 WeakPolarHBondContact O-CA 3.37Å; N57-Q103 PolarHBondContact N-O 3.11Å; N57-Q103 PolarHBondContact O-N 2.88Å; N57-W113 HydrophobicContact CB-CH2 4.13Å; N57-W113 WeakPolarHBondContact O-CZ3 3.4Å
58V96.8Very high87.6Confident0 Ų069.4 Ų69.40%038%0.381CS..EExtended strand (participates in β ladder)trans-120130.8177.5-175.30000110.1L42 W44 V71 C74 C82 L84 V100 G101 V102L42-V58 HydrophobicContact CD2-CG1 3.57Å; L42-V58 HydrophobicContact CD2-CG2 4.23Å; W44-V58 HydrophobicContact CH2-CG2 3.8Å; W44-V58 HydrophobicContact CZ3-CG2 4.18Å; V58-V71 HydrophobicContact CB-CB 4.21Å; V58-V71 HydrophobicContact CB-CG2 4.45Å; V58-V71 HydrophobicContact CG1-CB 4.22Å; V58-V71 HydrophobicContact CG1-CG2 3.96Å; V58-V71 WeakPolarHBondContact O-CB 3.44Å; V58-V71 PolarHBondContact O-N 3.09Å; V58-C74 HydrophobicContact CB-CB 3.82Å; V58-C74 HydrophobicContact CG2-CB 3.77Å; V58-C74 PolarHBondContact N-O 2.87Å; V58-C74 VanDerWaalsContact N-O 3.09Å; V58-C82 HydrophobicContact CG2-CB 4.12Å; V58-L84 HydrophobicContact CG1-CD2 4.27Å; V58-V100 HydrophobicContact CG1-CG2 3.85Å; V58-G101 WeakPolarHBondContact CA-O 3.38Å; V58-V102 HydrophobicContact CG2-CG1 4.4Å; V58-V102 HydrophobicContact CG2-CG2 4.36Å
59Q94.8Very high88Confident39 Ų3966.6 Ų66.618%0.18237%0.374CS..EExtended strand (participates in β ladder)trans-126.1150.6173.6-69.8-178.9-17.100110.6W68 V69 N70 V100 G101 W113Q59-W68 HydrophobicContact CB-CB 4.42Å; Q59-W68 HydrophobicContact CB-CE3 3.72Å; Q59-W68 HydrophobicContact CB-CZ3 4.48Å; Q59-V69 CarbonylContact C-O 3.59Å; Q59-V69 VanDerWaalsContact CA-O 3.28Å; Q59-V69 WeakPolarHBondContact CA-O 3.41Å; Q59-N70 WeakPolarHBondContact CG-OD1 3.17Å; Q59-N70 PolarHBondContact NE2-OD1 3.46Å; Q59-V100 CarbonylContact O-C 3.56Å; Q59-V100 WeakPolarHBondContact O-CA 3.36Å; Q59-V100 WeakPolarHBondContact O-CG2 2.96Å; Q59-G101 PolarHBondContact N-O 3Å; Q59-G101 PolarHBondContact O-N 3.32Å; Q59-W113 HydrophobicContact CB-CH2 4.14Å; Q59-W113 HydrophobicContact CB-CZ3 4.12Å; Q59-W113 HydrophobicContact CG-CH2 3.56Å; Q59-W113 HydrophobicContact CG-CZ2 4.19Å; Q59-W113 HydrophobicContact CG-CZ3 4.05Å
60M92.5Very high88.5Confident8 Ų864.1 Ų64.14%0.03936%0.36CS..EExtended strand (participates in β ladder)trans-133.7148.8177-164.7174.673.600111V69 V71 L84 D87 I88 I91 Y98 L99 F118M60-V69 PolarHBondContact N-O 2.81Å; M60-V69 PolarHBondContact O-N 3.12Å; M60-V71 HydrophobicContact CB-CG2 4.16Å; M60-L84 HydrophobicContact SD-CD1 4.31Å; M60-D87 HydrophobicContact CE-CB 4.46Å; M60-I88 HydrophobicContact CE-CG1 3.94Å; M60-I88 HydrophobicContact SD-CG1 4.2Å; M60-I91 HydrophobicContact CE-CD1 3.37Å; M60-Y98 HydrophobicContact CE-CD1 4.47Å; M60-L99 CarbonylContact C-O 3.4Å; M60-L99 WeakPolarHBondContact CA-O 3.46Å; M60-L99 WeakPolarHBondContact CG-O 3.44Å; M60-F118 HydrophobicContact SD-CE1 4.39Å; M60-F118 HydrophobicContact SD-CZ 3.99Å
61T91Very high89Confident9 Ų962.7 Ų62.76%0.05535%0.348CS..EExtended strand (participates in β ladder)trans-150.3162.9170.5-1670000111D67 W68 L99T61-D67 VanDerWaalsContact CB-O 3.25Å; T61-D67 WeakPolarHBondContact CB-O 3.33Å; T61-D67 PolarHBondContact OG1-O 3.35Å; T61-W68 HydrophobicContact CG2-CD2 3.78Å; T61-W68 HydrophobicContact CG2-CE3 4.06Å; T61-W68 HydrophobicContact CG2-CG 4.32Å; T61-W68 HydrophobicContact CG2-CH2 4.03Å; T61-W68 HydrophobicContact CG2-CZ2 3.68Å; T61-W68 HydrophobicContact CG2-CZ3 4.19Å; T61-L99 HydrophobicContact CG2-CB 4Å; T61-L99 HydrophobicContact CG2-CD1 4.48Å; T61-L99 PolarHBondContact N-O 3.44Å; T61-L99 PolarHBondContact O-N 2.99Å
62K89.2Confident89.4Confident79 Ų7965.7 Ų65.734%0.34337%0.37SS..EExtended strand (participates in β ladder)trans-70.3139.9167.6-179.8174.9175.9179.70108.1V64 A65 E93 A96 Y98K62-V64 PolarHBondContact O-N 2.86Å; K62-A65 HydrophobicContact CB-CB 4Å; K62-A65 PolarHBondContact O-N 3.12Å; K62-E93 WeakPolarHBondContact CD-OE2 3.38Å; K62-E93 WeakPolarHBondContact CE-OE2 3.48Å; K62-E93 IonicContact NZ-OE1 3.05Å; K62-E93 PolarHBondContact NZ-OE1 3.18Å; K62-E93 IonicContact NZ-OE2 2.62Å; K62-E93 PolarHBondContact NZ-OE2 2.86Å; K62-A96 HydrophobicContact CD-CB 4.37Å; K62-A96 HydrophobicContact CG-CB 4.29Å; K62-Y98 HydrophobicContact CB-CE1 4.41Å
63Y83.3Confident89.8Confident114 Ų11463.5 Ų63.545%0.44735%0.348SS..THydrogen-bonded Turntrans-55.1-28.5-169.9-178.5-87.4000114.8A97 L99 R117Y63-A97 VanDerWaalsContact CB-O 3.28Å; Y63-A97 WeakPolarHBondContact CB-O 3.42Å; Y63-A97 PolarHBondContact N-O 2.95Å; Y63-L99 HydrophobicContact CD2-CD1 3.85Å; Y63-L99 HydrophobicContact CD2-CD2 3.75Å; Y63-L99 HydrophobicContact CD2-CG 3.62Å; Y63-L99 HydrophobicContact CE2-CD1 4.33Å; Y63-L99 HydrophobicContact CE2-CD2 4.07Å; Y63-L99 HydrophobicContact CE2-CG 4.34Å; Y63-L99 HydrophobicContact CG-CD1 4.39Å; Y63-L99 HydrophobicContact CG-CG 4.35Å; Y63-R117 HydrophobicContact CD2-CB 4.46Å; Y63-R117 HydrophobicContact CD2-CG 3.96Å; Y63-R117 HydrophobicContact CE2-CG 4.31Å
64V80.8Confident90.3Very high128 Ų12856.6 Ų56.678%0.77631%0.312SS*.THydrogen-bonded Turntrans-96.9-11.5-179.6-172.30000112.5K62K62-V64 PolarHBondContact O-N 2.86Å
65A80.8Confident90.5Very high38 Ų3859.2 Ų59.231%0.31432%0.323SS..  trans-84.2150.8177.700000111.4K62K62-A65 HydrophobicContact CB-CB 4Å; K62-A65 PolarHBondContact O-N 3.12Å
66L78Confident90.5Very high155 Ų15559.2 Ų59.281%0.81233%0.331SS*.  trans-93.7-19.3175.3-66.1173.1000112.4W68L66-W68 VanDerWaalsContact O-CD1 3.26Å; L66-W68 PolarHBondContact O-N 3.09Å
67D86.8Confident90.4Very high130 Ų13059.8 Ų59.870%0.69534%0.335SS*.  trans-82.9107.9-173.2-54.5-48.4000110.8T61T61-D67 VanDerWaalsContact CB-O 3.25Å; T61-D67 WeakPolarHBondContact CB-O 3.33Å; T61-D67 PolarHBondContact OG1-O 3.35Å
68W90.9Very high90.3Very high70 Ų7063.9 Ų63.927%0.26536%0.361SS..PPolyproline II helixtrans-85.4123.4175.6-71.777.2000110.3Q59 T61 L66 L99 K115Q59-W68 HydrophobicContact CB-CB 4.42Å; Q59-W68 HydrophobicContact CB-CE3 3.72Å; Q59-W68 HydrophobicContact CB-CZ3 4.48Å; T61-W68 HydrophobicContact CG2-CD2 3.78Å; T61-W68 HydrophobicContact CG2-CE3 4.06Å; T61-W68 HydrophobicContact CG2-CG 4.32Å; T61-W68 HydrophobicContact CG2-CH2 4.03Å; T61-W68 HydrophobicContact CG2-CZ2 3.68Å; T61-W68 HydrophobicContact CG2-CZ3 4.19Å; L66-W68 VanDerWaalsContact O-CD1 3.26Å; L66-W68 PolarHBondContact O-N 3.09Å; W68-L99 HydrophobicContact CH2-CB 3.77Å; W68-L99 HydrophobicContact CZ2-CB 4.29Å; W68-L99 HydrophobicContact CZ2-CD1 4.33Å; W68-L99 HydrophobicContact CZ3-CB 4.45Å; W68-K115 HydrophobicContact CH2-CD 3.69Å; W68-K115 HydrophobicContact CH2-CG 4.09Å; W68-K115 HydrophobicContact CZ2-CD 3.85Å
69V91.3Very high90.2Very high95 Ų9568.4 Ų68.458%0.57638%0.378SS*.EExtended strand (participates in β ladder)trans-98.5130178.4-176.50000109.2Q59 M60 V71Q59-V69 CarbonylContact C-O 3.59Å; Q59-V69 VanDerWaalsContact CA-O 3.28Å; Q59-V69 WeakPolarHBondContact CA-O 3.41Å; M60-V69 PolarHBondContact N-O 2.81Å; M60-V69 PolarHBondContact O-N 3.12Å; V69-V71 PolarHBondContact O-N 2.7Å
70N93.3Very high90.2Very high83 Ų8368.4 Ų68.444%0.44438%0.38SS..EExtended strand (participates in β ladder)trans-67.2127.3172.4-71.6-21.2000110.2Q59 S72 M75Q59-N70 WeakPolarHBondContact CG-OD1 3.17Å; Q59-N70 PolarHBondContact NE2-OD1 3.46Å; N70-S72 PolarHBondContact O-N 3.34Å; N70-S72 VanDerWaalsContact O-N 3.12Å; N70-M75 HydrophobicContact CB-CE 4.35Å; N70-M75 HydrophobicContact CB-CG 4.13Å; N70-M75 HydrophobicContact CB-SD 3.84Å
71V93.8Very high90.3Very high4 Ų473.5 Ų73.52%0.02440%0.4CS..  trans-77.797.9171.9177.20000107.5V58 M60 V69 S73 C74 M75 L84V58-V71 HydrophobicContact CB-CB 4.21Å; V58-V71 HydrophobicContact CB-CG2 4.45Å; V58-V71 HydrophobicContact CG1-CB 4.22Å; V58-V71 HydrophobicContact CG1-CG2 3.96Å; V58-V71 WeakPolarHBondContact O-CB 3.44Å; V58-V71 PolarHBondContact O-N 3.09Å; M60-V71 HydrophobicContact CB-CG2 4.16Å; V69-V71 PolarHBondContact O-N 2.7Å; V71-S73 PolarHBondContact O-N 3.17Å; V71-S73 VanDerWaalsContact O-N 3.12Å; V71-C74 HydrophobicContact CB-CB 4.26Å; V71-C74 HydrophobicContact CG1-CB 3.85Å; V71-C74 CarbonylContact O-C 3.56Å; V71-C74 WeakPolarHBondContact O-CA 3.5Å; V71-C74 PolarHBondContact O-N 2.94Å; V71-M75 PolarHBondContact O-N 3.01Å; V71-L84 HydrophobicContact CB-CD2 4.42Å; V71-L84 HydrophobicContact CG1-CD2 3.85Å; V71-L84 HydrophobicContact CG2-CD2 3.81Å
72S90Very high90.5Very high94 Ų9473.1 Ų73.166%0.65740%0.397SS*.G310 helixtrans-57.8-31.8-167.658.70000114.1N70 C74N70-S72 PolarHBondContact O-N 3.34Å; N70-S72 VanDerWaalsContact O-N 3.12Å; S72-C74 PolarHBondContact O-N 3Å
73S91Very high90.7Very high58 Ų5873.7 Ų73.741%0.40640%0.404SS..G310 helixtrans-71.5-10.217661.80000114.3V71 R79V71-S73 PolarHBondContact O-N 3.17Å; V71-S73 VanDerWaalsContact O-N 3.12Å; S73-R79 PolarHBondContact O-NH2 2.74Å
74C95.1Very high91.1Very high0 Ų068.3 Ų68.30%038%0.383CS..G310 helixtrans-137.728.1-169-580000113.5V58 V71 S72 I77 C82V58-C74 HydrophobicContact CB-CB 3.82Å; V58-C74 HydrophobicContact CG2-CB 3.77Å; V58-C74 PolarHBondContact N-O 2.87Å; V58-C74 VanDerWaalsContact N-O 3.09Å; V71-C74 HydrophobicContact CB-CB 4.26Å; V71-C74 HydrophobicContact CG1-CB 3.85Å; V71-C74 CarbonylContact O-C 3.56Å; V71-C74 WeakPolarHBondContact O-CA 3.5Å; V71-C74 PolarHBondContact O-N 2.94Å; S72-C74 PolarHBondContact O-N 3Å; C74-I77 HydrophobicContact CB-CD1 3.7Å; C74-I77 HydrophobicContact CB-CG1 4.42Å; C74-C82 HydrophobicContact CB-CB 3.82Å; C74-C82 WeakPolarHBondContact CB-SG 2.97Å; C74-C82 WeakPolarHBondContact SG-CA 3.28Å; C74-C82 WeakPolarHBondContact SG-CB 3.27Å; C74-C82 CovalentContact SG-SG 2.02Å; C74-C82 PolarHBondContact SG-SG 3.35Å
75M95.1Very high91.3Very high64 Ų6463.7 Ų63.732%0.31536%0.356SS..SBendtrans-94.5133.2164.6-62.7-59.7-69.300109.1N57 N70 V71 I77N57-M75 HydrophobicContact CB-CE 3.92Å; N57-M75 HydrophobicContact CB-SD 4Å; N57-M75 VanDerWaalsContact CG-CE 3.5Å; N70-M75 HydrophobicContact CB-CE 4.35Å; N70-M75 HydrophobicContact CB-CG 4.13Å; N70-M75 HydrophobicContact CB-SD 3.84Å; V71-M75 PolarHBondContact O-N 3.01Å; M75-I77 PolarHBondContact O-N 2.02Å
76G93.9Very high91.5Very high42 Ų4265 Ų6543%0.43337%0.367SS..SBendtrans66.729.6177.700000115Y56 N57Y56-G76 PolarHBondContact O-N 2.98Å; N57-G76 PolarHBondContact OD1-N 3.4Å
77I94.6Very high91.9Very high17 Ų1758.5 Ų58.59%0.08733%0.333CS..BIsolated β-bridgetrans-93.7139.2-175.556.2165.9000112.7W44 Y56 C74 M75 R79W44-I77 HydrophobicContact CH2-CD1 3.89Å; W44-I77 HydrophobicContact CZ2-CD1 4.13Å; Y56-I77 WeakPolarHBondContact CD2-O 3.47Å; Y56-I77 PolarHBondContact N-O 2.99Å; Y56-I77 WeakPolarHBondContact O-CG1 3.48Å; Y56-I77 PolarHBondContact O-N 2.86Å; C74-I77 HydrophobicContact CB-CD1 3.7Å; C74-I77 HydrophobicContact CB-CG1 4.42Å; M75-I77 PolarHBondContact O-N 2.02Å; I77-R79 HydrophobicContact CB-CG 4.18Å; I77-R79 HydrophobicContact CD1-CG 4.01Å
78T93.3Very high91.6Very high114 Ų11452.6 Ų52.670%0.69930%0.301SS*.  trans-86-22.6175.951.50000113.5V55V55-T78 HydrophobicContact CG1-CG2 4.13Å
79R94.4Very high91.1Very high96 Ų9651.8 Ų51.836%0.36231%0.31SS..SBendtrans-69.6151.7176.463.1174.7-172.8-102.7-7111.9W44 S73 I77 Y81W44-R79 WeakPolarHBondContact CZ2-O 3.48Å; S73-R79 PolarHBondContact O-NH2 2.74Å; I77-R79 HydrophobicContact CB-CG 4.18Å; I77-R79 HydrophobicContact CD1-CG 4.01Å; R79-Y81 VanDerWaalsContact C-N 3.3Å; R79-Y81 HydrophobicContact CB-CD1 4.08Å; R79-Y81 HydrophobicContact CB-CE1 3.91Å; R79-Y81 WeakPolarHBondContact CD-O 3.41Å; R79-Y81 HydrophobicContact CG-CD1 4.39Å; R79-Y81 HydrophobicContact CG-CE1 4.29Å; R79-Y81 PolarHBondContact NE-O 2.97Å; R79-Y81 PolarHBondContact O-N 2.83Å
80T94.6Very high90.6Very high39 Ų3953.8 Ų53.824%0.23931%0.311CS..SBendtrans-91.118.9-177.3590000114.5W44 N46 Y56W44-T80 VanDerWaalsContact CD2-O 3.26Å; W44-T80 PolarHBondContact N-O 3.47Å; W44-T80 WeakPolarHBondContact O-CB 3.39Å; N46-T80 WeakPolarHBondContact OD1-CG2 3.23Å; Y56-T80 HydrophobicContact CE2-CG2 4.27Å
81Y95.5Very high89.7Confident115 Ų11553 Ų5345%0.45131%0.306SS..EExtended strand (participates in β ladder)trans-144.9153.9-179.571.4-86.2000112.7L42 R79L42-Y81 CarbonylContact O-C 3.58Å; L42-Y81 WeakPolarHBondContact O-CA 3.44Å; L42-Y81 WeakPolarHBondContact O-CB 3.47Å; R79-Y81 VanDerWaalsContact C-N 3.3Å; R79-Y81 HydrophobicContact CB-CD1 4.08Å; R79-Y81 HydrophobicContact CB-CE1 3.91Å; R79-Y81 WeakPolarHBondContact CD-O 3.41Å; R79-Y81 HydrophobicContact CG-CD1 4.39Å; R79-Y81 HydrophobicContact CG-CE1 4.29Å; R79-Y81 PolarHBondContact NE-O 2.97Å; R79-Y81 PolarHBondContact O-N 2.83Å
82C95.3Very high88.6Confident0 Ų058.9 Ų58.90%034%0.337CS..EExtended strand (participates in β ladder)trans-140.9137.8-178.7178.20000111.4I41 L42 W44 V58 C74 L84I41-C82 WeakPolarHBondContact CA-O 3.42Å; L42-C82 HydrophobicContact CB-CB 4.22Å; L42-C82 HydrophobicContact CD2-CB 4.45Å; L42-C82 PolarHBondContact N-O 2.88Å; L42-C82 PolarHBondContact O-N 2.91Å; W44-C82 HydrophobicContact CH2-CB 3.89Å; W44-C82 HydrophobicContact CZ3-CB 3.86Å; V58-C82 HydrophobicContact CG2-CB 4.12Å; C74-C82 HydrophobicContact CB-CB 3.82Å; C74-C82 WeakPolarHBondContact CB-SG 2.97Å; C74-C82 WeakPolarHBondContact SG-CA 3.28Å; C74-C82 WeakPolarHBondContact SG-CB 3.27Å; C74-C82 CovalentContact SG-SG 2.02Å; C74-C82 PolarHBondContact SG-SG 3.35Å; C82-L84 VanDerWaalsContact SG-CD2 3.58Å
83L93.7Very high88.3Confident92 Ų9258.4 Ų58.448%0.48233%0.325SS..EExtended strand (participates in β ladder)trans-94.7118.2173.6-59.3178.1000108.9I41I41-L83 HydrophobicContact CB-CD2 4.37Å; I41-L83 HydrophobicContact CD1-CD2 4Å; I41-L83 HydrophobicContact CG1-CD2 3.72Å; I41-L83 HydrophobicContact CG2-CD2 4.13Å
84L91.6Very high88Confident0 Ų056.9 Ų56.90%031%0.31CS..  trans-99.9-8.1-177.6-56.8-179.5000113.2L33 V40 L42 V58 M60 V71 C82 A86 D87 I88 V100L33-L84 HydrophobicContact CD2-CD1 4.47Å; V40-L84 HydrophobicContact CB-CB 4.16Å; V40-L84 HydrophobicContact CG1-CB 4.2Å; V40-L84 HydrophobicContact CG1-CD1 4Å; V40-L84 HydrophobicContact CG1-CG 4.48Å; V40-L84 PolarHBondContact O-N 3.19Å; L42-L84 HydrophobicContact CB-CD1 4.16Å; L42-L84 HydrophobicContact CB-CG 4.42Å; V58-L84 HydrophobicContact CG1-CD2 4.27Å; M60-L84 HydrophobicContact SD-CD1 4.31Å; V71-L84 HydrophobicContact CB-CD2 4.42Å; V71-L84 HydrophobicContact CG1-CD2 3.85Å; V71-L84 HydrophobicContact CG2-CD2 3.81Å; C82-L84 VanDerWaalsContact SG-CD2 3.58Å; L84-A86 VanDerWaalsContact C-N 3.26Å; L84-A86 PolarHBondContact O-N 3.27Å; L84-D87 PolarHBondContact O-N 3.04Å; L84-I88 HydrophobicContact CB-CD1 3.84Å; L84-I88 HydrophobicContact CB-CG1 4.42Å; L84-I88 WeakPolarHBondContact O-CG1 3.42Å; L84-I88 PolarHBondContact O-N 2.86Å; L84-V100 HydrophobicContact CD1-CG2 4.02Å
85S84.3Confident87.4Confident32 Ų3261.4 Ų61.422%0.22434%0.338CS..Hα-helixtrans-53.3-40.9-172.5-370000113.1E39 V40 D87 A89E39-S85 WeakPolarHBondContact CA-OG 3.33Å; V40-S85 PolarHBondContact N-OG 3.41Å; S85-D87 VanDerWaalsContact C-N 3.33Å; S85-D87 PolarHBondContact O-N 3.25Å; S85-A89 WeakPolarHBondContact O-CB 3.38Å; S85-A89 PolarHBondContact O-N 3.29Å
86A85Confident87.1Confident65 Ų6559 Ų5954%0.53733%0.328SS..Hα-helixtrans-69.5-27.1-179.600000113.7L84 K90L84-A86 VanDerWaalsContact C-N 3.26Å; L84-A86 PolarHBondContact O-N 3.27Å; A86-K90 VanDerWaalsContact O-CE 3.27Å; A86-K90 WeakPolarHBondContact O-CE 3.5Å; A86-K90 WeakPolarHBondContact O-CG 3.38Å
87D85.8Confident86.9Confident19 Ų1957.8 Ų57.810%0.10231%0.314CS..Hα-helixtrans-87.9-36.1178.3-63.4-63.7000111.2M60 L84 S85 A89 K90 I91M60-D87 HydrophobicContact CE-CB 4.46Å; L84-D87 PolarHBondContact O-N 3.04Å; S85-D87 VanDerWaalsContact C-N 3.33Å; S85-D87 PolarHBondContact O-N 3.25Å; D87-A89 VanDerWaalsContact C-N 3.34Å; D87-A89 PolarHBondContact O-N 2.86Å; D87-K90 WeakPolarHBondContact O-CB 3.33Å; D87-K90 PolarHBondContact O-N 2.91Å; D87-K90 IonicContact OD1-NZ 3.94Å; D87-K90 PolarHBondContact OD1-NZ 2.78Å; D87-I91 WeakPolarHBondContact O-CD1 3.25Å; D87-I91 WeakPolarHBondContact O-CG1 3.4Å
88I81.4Confident86.7Confident5 Ų557.1 Ų57.13%0.02631%0.31CS..Hα-helixtrans-62-42.2171.9-67.9165.9000111V40 M60 L84 K90 I91 F118 L120V40-I88 HydrophobicContact CB-CD1 3.51Å; V40-I88 HydrophobicContact CG1-CD1 4.04Å; V40-I88 HydrophobicContact CG2-CD1 3.35Å; M60-I88 HydrophobicContact CE-CG1 3.94Å; M60-I88 HydrophobicContact SD-CG1 4.2Å; L84-I88 HydrophobicContact CB-CD1 3.84Å; L84-I88 HydrophobicContact CB-CG1 4.42Å; L84-I88 WeakPolarHBondContact O-CG1 3.42Å; L84-I88 PolarHBondContact O-N 2.86Å; I88-K90 PolarHBondContact O-N 3.08Å; I88-K90 VanDerWaalsContact O-N 3.13Å; I88-I91 PolarHBondContact O-N 3.11Å; I88-I91 VanDerWaalsContact O-N 3.11Å; I88-F118 HydrophobicContact CD1-CE2 4.25Å; I88-F118 HydrophobicContact CD1-CZ 4.28Å; I88-L120 HydrophobicContact CD1-CD2 4.28Å; I88-L120 HydrophobicContact CG2-CD1 3.78Å; I88-L120 HydrophobicContact CG2-CD2 4.03Å
89A79.9Confident86.7Confident54 Ų5453.1 Ų53.145%0.44629%0.285SS..Hα-helixtrans-57.6-2717700000113.8S85 D87S85-A89 WeakPolarHBondContact O-CB 3.38Å; S85-A89 PolarHBondContact O-N 3.29Å; D87-A89 VanDerWaalsContact C-N 3.34Å; D87-A89 PolarHBondContact O-N 2.86Å
90K81.2Confident86.7Confident137 Ų13748.6 Ų48.660%0.59627%0.268SS*.Hα-helixtrans-79.1-24.3179.3-63.3165.9-167.1161.50113.6A86 D87 I88A86-K90 VanDerWaalsContact O-CE 3.27Å; A86-K90 WeakPolarHBondContact O-CE 3.5Å; A86-K90 WeakPolarHBondContact O-CG 3.38Å; D87-K90 WeakPolarHBondContact O-CB 3.33Å; D87-K90 PolarHBondContact O-N 2.91Å; D87-K90 IonicContact OD1-NZ 3.94Å; D87-K90 PolarHBondContact OD1-NZ 2.78Å; I88-K90 PolarHBondContact O-N 3.08Å; I88-K90 VanDerWaalsContact O-N 3.13Å
91I73.4Confident86.7Confident67 Ų6746.7 Ų46.734%0.34426%0.256SS..Hα-helixtrans-84.1-14.4-165.4-61.7163.5000112.2M60 D87 I88 E93 Y98M60-I91 HydrophobicContact CE-CD1 3.37Å; D87-I91 WeakPolarHBondContact O-CD1 3.25Å; D87-I91 WeakPolarHBondContact O-CG1 3.4Å; I88-I91 PolarHBondContact O-N 3.11Å; I88-I91 VanDerWaalsContact O-N 3.11Å; I91-E93 PolarHBondContact O-N 2.86Å; I91-Y98 HydrophobicContact CD1-CE1 4.01Å; I91-Y98 HydrophobicContact CG2-CE1 4.04Å; I91-Y98 WeakPolarHBondContact CG2-OH 3.48Å
92N71.8Confident86.7Confident126 Ų12641.2 Ų41.267%0.67424%0.235SC*.  trans58.2-10.2177.2-76.5-22.4000117.3Y94N92-Y94 WeakPolarHBondContact O-CD2 3.46Å
93E83.9Confident86.7Confident84 Ų8442.1 Ų42.139%0.39324%0.239SC..  trans-101.387.9178.1-65.8-174.817700112.3K62 I91 T95 A96 Y98K62-E93 WeakPolarHBondContact CD-OE2 3.38Å; K62-E93 WeakPolarHBondContact CE-OE2 3.48Å; K62-E93 IonicContact NZ-OE1 3.05Å; K62-E93 PolarHBondContact NZ-OE1 3.18Å; K62-E93 IonicContact NZ-OE2 2.62Å; K62-E93 PolarHBondContact NZ-OE2 2.86Å; I91-E93 PolarHBondContact O-N 2.86Å; E93-T95 PolarHBondContact O-N 2.87Å; E93-A96 HydrophobicContact CB-CB 4.26Å; E93-Y98 PolarHBondContact O-OH 2.85Å
94Y83.8Confident86.8Confident27 Ų2737.9 Ų37.911%0.10622%0.217CC..THydrogen-bonded Turntrans-79.3-17-174.1-67.8-100.2000114.1N92 L120 I148 K151 I152N92-Y94 WeakPolarHBondContact O-CD2 3.46Å; Y94-L120 HydrophobicContact CD1-CD1 4Å; Y94-L120 HydrophobicContact CG-CD1 4.48Å; Y94-I148 HydrophobicContact CE1-CG1 4.33Å; Y94-K151 VanDerWaalsContact CB-O 3.23Å; Y94-K151 WeakPolarHBondContact CB-O 3.39Å; Y94-K151 HydrophobicContact CD1-CB 4.07Å; Y94-K151 HydrophobicContact CD2-CB 3.81Å; Y94-K151 HydrophobicContact CD2-CD 4.07Å; Y94-K151 HydrophobicContact CD2-CG 4.5Å; Y94-K151 HydrophobicContact CE1-CB 4.47Å; Y94-K151 HydrophobicContact CE1-CD 4.4Å; Y94-K151 HydrophobicContact CE2-CB 4.26Å; Y94-K151 HydrophobicContact CE2-CD 3.68Å; Y94-K151 HydrophobicContact CG-CB 3.74Å; Y94-I152 HydrophobicContact CD1-CG1 4Å
95T83.6Confident86.8Confident94 Ų9438.9 Ų38.958%0.57722%0.223SC*.THydrogen-bonded Turntrans-91.3-8.7-179.354.50000113.8E93 P154E93-T95 PolarHBondContact O-N 2.87Å; T95-P154 HydrophobicContact CG2-CB 4.41Å; T95-P154 HydrophobicContact CG2-CG 3.9Å
96A87.3Confident87.2Confident13 Ų1340.7 Ų40.711%0.10723%0.228CC..SBendtrans-74.4150.2179.900000112.2K62 E93 Y98K62-A96 HydrophobicContact CD-CB 4.37Å; K62-A96 HydrophobicContact CG-CB 4.29Å; E93-A96 HydrophobicContact CB-CB 4.26Å; A96-Y98 HydrophobicContact CB-CE2 4.01Å; A96-Y98 VanDerWaalsContact O-CD2 3.27Å; A96-Y98 WeakPolarHBondContact O-CD2 3.34Å; A96-Y98 VanDerWaalsContact O-CE2 3.3Å; A96-Y98 WeakPolarHBondContact O-CE2 3.25Å
97A90.2Very high87.2Confident18 Ų1841 Ų4115%0.14924%0.237CC..EExtended strand (participates in β ladder)trans-81.9139166.800000110.3Y63 L119Y63-A97 VanDerWaalsContact CB-O 3.28Å; Y63-A97 WeakPolarHBondContact CB-O 3.42Å; Y63-A97 PolarHBondContact N-O 2.95Å; A97-L119 HydrophobicContact CB-CD1 3.75Å; A97-L119 HydrophobicContact CB-CG 3.96Å
98Y91.1Very high87.1Confident2 Ų248.6 Ų48.61%0.00828%0.278CS..EExtended strand (participates in β ladder)trans-115.8154-178.7-69.8-84.4000111.9M60 K62 I91 E93 A96 R117 F118 L120M60-Y98 HydrophobicContact CE-CD1 4.47Å; K62-Y98 HydrophobicContact CB-CE1 4.41Å; I91-Y98 HydrophobicContact CD1-CE1 4.01Å; I91-Y98 HydrophobicContact CG2-CE1 4.04Å; I91-Y98 WeakPolarHBondContact CG2-OH 3.48Å; E93-Y98 PolarHBondContact O-OH 2.85Å; A96-Y98 HydrophobicContact CB-CE2 4.01Å; A96-Y98 VanDerWaalsContact O-CD2 3.27Å; A96-Y98 WeakPolarHBondContact O-CD2 3.34Å; A96-Y98 VanDerWaalsContact O-CE2 3.3Å; A96-Y98 WeakPolarHBondContact O-CE2 3.25Å; Y98-R117 VanDerWaalsContact O-CA 3.29Å; Y98-R117 WeakPolarHBondContact O-CA 3.42Å; Y98-F118 HydrophobicContact CD2-CE2 4.39Å; Y98-F118 HydrophobicContact CG-CE2 4.48Å; Y98-F118 HydrophobicContact CG-CZ 4.16Å; Y98-F118 PolarHBondContact N-O 2.81Å; Y98-F118 PolarHBondContact O-N 3.17Å; Y98-L120 HydrophobicContact CE2-CD1 4.4Å
99L92.6Very high87.4Confident31 Ų3151.8 Ų51.816%0.16229%0.292CS..EExtended strand (participates in β ladder)trans-116.1129.7168.4-74.9170.6000108.7M60 T61 Y63 W68 K116 R117M60-L99 CarbonylContact C-O 3.4Å; M60-L99 WeakPolarHBondContact CA-O 3.46Å; M60-L99 WeakPolarHBondContact CG-O 3.44Å; T61-L99 HydrophobicContact CG2-CB 4Å; T61-L99 HydrophobicContact CG2-CD1 4.48Å; T61-L99 PolarHBondContact N-O 3.44Å; T61-L99 PolarHBondContact O-N 2.99Å; Y63-L99 HydrophobicContact CD2-CD1 3.85Å; Y63-L99 HydrophobicContact CD2-CD2 3.75Å; Y63-L99 HydrophobicContact CD2-CG 3.62Å; Y63-L99 HydrophobicContact CE2-CD1 4.33Å; Y63-L99 HydrophobicContact CE2-CD2 4.07Å; Y63-L99 HydrophobicContact CE2-CG 4.34Å; Y63-L99 HydrophobicContact CG-CD1 4.39Å; Y63-L99 HydrophobicContact CG-CG 4.35Å; W68-L99 HydrophobicContact CH2-CB 3.77Å; W68-L99 HydrophobicContact CZ2-CB 4.29Å; W68-L99 HydrophobicContact CZ2-CD1 4.33Å; W68-L99 HydrophobicContact CZ3-CB 4.45Å; L99-K116 WeakPolarHBondContact CA-O 3.35Å; L99-R117 HydrophobicContact CD2-CB 3.96Å
100V94.3Very high87.9Confident0 Ų052.2 Ų52.20%029%0.292CS..EExtended strand (participates in β ladder)trans-115.7143.4168.766.70000109.6L33 L42 V58 Q59 L84 K115 K116 F118L33-V100 HydrophobicContact CD1-CG1 4Å; L33-V100 HydrophobicContact CD2-CG1 4.16Å; L33-V100 HydrophobicContact CG-CG1 4.48Å; L42-V100 HydrophobicContact CD1-CG1 3.68Å; L42-V100 HydrophobicContact CD1-CG2 4.24Å; L42-V100 HydrophobicContact CD2-CG2 3.52Å; L42-V100 HydrophobicContact CG-CG2 4.47Å; V58-V100 HydrophobicContact CG1-CG2 3.85Å; Q59-V100 CarbonylContact O-C 3.56Å; Q59-V100 WeakPolarHBondContact O-CA 3.36Å; Q59-V100 WeakPolarHBondContact O-CG2 2.96Å; L84-V100 HydrophobicContact CD1-CG2 4.02Å; V100-K115 CarbonylContact O-C 3.59Å; V100-K115 VanDerWaalsContact O-CA 3.25Å; V100-K115 WeakPolarHBondContact O-CA 3.39Å; V100-K116 HydrophobicContact CG1-CB 4.2Å; V100-K116 PolarHBondContact N-O 3.49Å; V100-K116 PolarHBondContact O-N 2.67Å; V100-F118 HydrophobicContact CB-CE1 4.19Å; V100-F118 HydrophobicContact CG1-CD1 4.34Å; V100-F118 HydrophobicContact CG1-CE1 4.24Å
101G94.9Very high88.4Confident0 Ų046.1 Ų46.10%027%0.267CS..EExtended strand (participates in β ladder)trans-127.1137.6178.400000110.5V58 Q59 W113 K114V58-G101 WeakPolarHBondContact CA-O 3.38Å; Q59-G101 PolarHBondContact N-O 3Å; Q59-G101 PolarHBondContact O-N 3.32Å; G101-W113 WeakPolarHBondContact O-CZ3 3.18Å; G101-K114 WeakPolarHBondContact CA-O 3.07Å
102V96.4Very high89.3Confident0 Ų051.2 Ų51.20%029%0.287CS..EExtended strand (participates in β ladder)trans-119.2139.7169.9-167.50000109.5P28 V31 L42 W44 Y56 N57 V58 K114P28-V102 HydrophobicContact CB-CG1 4.38Å; P28-V102 HydrophobicContact CG-CB 4.15Å; P28-V102 HydrophobicContact CG-CG1 3.83Å; V31-V102 HydrophobicContact CG1-CG2 4.29Å; V31-V102 HydrophobicContact CG2-CG2 4.47Å; L42-V102 HydrophobicContact CD2-CG2 3.47Å; L42-V102 VanDerWaalsContact CD2-CG2 3.47Å; L42-V102 HydrophobicContact CG-CG2 4.19Å; W44-V102 HydrophobicContact CD2-CG1 3.84Å; W44-V102 HydrophobicContact CD2-CG2 4.28Å; W44-V102 HydrophobicContact CE3-CG1 4.2Å; W44-V102 HydrophobicContact CE3-CG2 3.91Å; W44-V102 HydrophobicContact CG-CG1 4.26Å; W44-V102 HydrophobicContact CH2-CG1 4.43Å; W44-V102 HydrophobicContact CZ2-CG1 4.08Å; W44-V102 HydrophobicContact CZ3-CG1 4.48Å; W44-V102 HydrophobicContact CZ3-CG2 4.23Å; Y56-V102 HydrophobicContact CD1-CG1 4.05Å; N57-V102 WeakPolarHBondContact O-CA 3.37Å; V58-V102 HydrophobicContact CG2-CG1 4.4Å; V58-V102 HydrophobicContact CG2-CG2 4.36Å; V102-K114 PolarHBondContact N-O 2.99Å; V102-K114 PolarHBondContact O-N 2.82Å
103Q94.7Very high90.4Very high19 Ų1948.9 Ų48.99%0.08927%0.268CS..EExtended strand (participates in β ladder)trans-133.5143.6177-167.5-175.936.800109.6Y56 N57 V105 S110 S111 W113Y56-Q103 VanDerWaalsContact CA-O 3.29Å; Y56-Q103 WeakPolarHBondContact CA-O 3.44Å; N57-Q103 PolarHBondContact N-O 3.11Å; N57-Q103 PolarHBondContact O-N 2.88Å; Q103-V105 HydrophobicContact CG-CG2 4.35Å; Q103-S110 VanDerWaalsContact NE2-CB 3.28Å; Q103-S110 PolarHBondContact NE2-OG 3.13Å; Q103-S110 VanDerWaalsContact NE2-OG 3.09Å; Q103-S111 WeakPolarHBondContact CG-O 3.43Å; Q103-S111 WeakPolarHBondContact CG-OG 3.28Å; Q103-S111 PolarHBondContact NE2-O 3.22Å; Q103-W113 HydrophobicContact CB-CD2 3.79Å; Q103-W113 HydrophobicContact CB-CE3 3.64Å; Q103-W113 HydrophobicContact CB-CG 4.48Å; Q103-W113 HydrophobicContact CB-CH2 3.82Å; Q103-W113 HydrophobicContact CB-CZ2 3.97Å; Q103-W113 HydrophobicContact CB-CZ3 3.66Å; Q103-W113 HydrophobicContact CG-CD2 4.35Å; Q103-W113 HydrophobicContact CG-CZ2 4.5Å
104L94.8Very high90.9Very high2 Ų249.7 Ų49.71%0.0127%0.271CS..EExtended strand (participates in β ladder)trans-95.9135.6169.4-175.457000109I25 P47 A50 A54 Y56 S110 S111I25-L104 HydrophobicContact CG2-CB 3.99Å; I25-L104 HydrophobicContact CG2-CD2 3.77Å; I25-L104 HydrophobicContact CG2-CG 3.8Å; P47-L104 HydrophobicContact CG-CD2 3.72Å; A50-L104 HydrophobicContact CB-CD2 4.42Å; A54-L104 HydrophobicContact CB-CD1 3.44Å; A54-L104 VanDerWaalsContact CB-CD1 3.44Å; A54-L104 HydrophobicContact CB-CD2 4.34Å; A54-L104 HydrophobicContact CB-CG 3.91Å; Y56-L104 HydrophobicContact CD1-CB 4.2Å; Y56-L104 HydrophobicContact CD1-CD1 3.85Å; Y56-L104 HydrophobicContact CE1-CB 4.03Å; Y56-L104 HydrophobicContact CE1-CD1 3.58Å; Y56-L104 HydrophobicContact CE1-CG 4.24Å; Y56-L104 HydrophobicContact CE2-CD1 4.37Å; Y56-L104 HydrophobicContact CG-CD1 4.36Å; L104-S110 CarbonylContact O-C 3.34Å; L104-S110 WeakPolarHBondContact O-CA 3.25Å; L104-S111 PolarHBondContact N-OG 2.82Å; L104-S111 PolarHBondContact O-N 2.66Å
105V93.3Very high91.3Very high22 Ų2253.7 Ų53.713%0.13329%0.288CS..EExtended strand (participates in β ladder)trans-132.4133.8-173-176.40000109.5A54 V55 Q103 Q109A54-V105 CarbonylContact C-O 3.56Å; A54-V105 VanDerWaalsContact CA-O 3.32Å; A54-V105 WeakPolarHBondContact CA-O 3.29Å; V55-V105 HydrophobicContact CG2-CB 4.29Å; V55-V105 PolarHBondContact N-O 2.88Å; V55-V105 PolarHBondContact O-N 2.8Å; Q103-V105 HydrophobicContact CG-CG2 4.35Å; V105-Q109 WeakPolarHBondContact CA-O 3.3Å
106E90.9Very high91.8Very high70 Ų7053.6 Ų53.633%0.32728%0.28SS..EExtended strand (participates in β ladder)trans-135.4107177-176.2-171.3-155.300108.3I25 P51 A54 N108 Q109I25-E106 HydrophobicContact CD1-CB 3.56Å; P51-E106 HydrophobicContact CB-CG 4.23Å; P51-E106 WeakPolarHBondContact CB-OE1 3.5Å; P51-E106 HydrophobicContact CG-CB 4.44Å; P51-E106 HydrophobicContact CG-CG 4.42Å; P51-E106 VanDerWaalsContact CG-OE2 3.27Å; P51-E106 WeakPolarHBondContact CG-OE2 3.29Å; A54-E106 HydrophobicContact CB-CB 4.21Å; E106-N108 PolarHBondContact O-N 2.87Å; E106-N108 VanDerWaalsContact O-N 3.11Å; E106-Q109 PolarHBondContact N-O 3.33Å; E106-Q109 PolarHBondContact O-N 3.07Å
107G85.4Confident92.1Very high71 Ų7159 Ų5973%0.73230%0.298SS*.THydrogen-bonded Turntrans54-116.9-173.300000112.1
108N83.8Confident92.1Very high178 Ų17858.3 Ų58.395%0.95229%0.291SS*.THydrogen-bonded Turntrans-90.7-4.4178.6-70-3.1000113.9E106E106-N108 PolarHBondContact O-N 2.87Å; E106-N108 VanDerWaalsContact O-N 3.11Å
109Q87.5Confident92Very high72 Ų7259.8 Ų59.834%0.33630%0.299SS..EExtended strand (participates in β ladder)trans-97.3147.7178.4-69.6-169.886.500110.6T23 I25 V105 E106T23-Q109 PolarHBondContact O-OE1 3.06Å; I25-Q109 VanDerWaalsContact CD1-C 3.46Å; I25-Q109 HydrophobicContact CD1-CB 3.64Å; I25-Q109 WeakPolarHBondContact CD1-O 3.27Å; I25-Q109 HydrophobicContact CG1-CB 4.05Å; V105-Q109 WeakPolarHBondContact CA-O 3.3Å; E106-Q109 PolarHBondContact N-O 3.33Å; E106-Q109 PolarHBondContact O-N 3.07Å
110S91.2Very high91.8Very high64 Ų6458.5 Ų58.545%0.44829%0.292SS..EExtended strand (participates in β ladder)trans-146.7147.1179.364.70000111.9Q103 L104Q103-S110 VanDerWaalsContact NE2-CB 3.28Å; Q103-S110 PolarHBondContact NE2-OG 3.13Å; Q103-S110 VanDerWaalsContact NE2-OG 3.09Å; L104-S110 CarbonylContact O-C 3.34Å; L104-S110 WeakPolarHBondContact O-CA 3.25Å
111S92.4Very high91.4Very high8 Ų861.4 Ų61.46%0.05631%0.308CS..  trans-72.4175.4-178.178.90000111.9I25 Q103 L104I25-S111 WeakPolarHBondContact O-CA 3.37Å; I25-S111 VanDerWaalsContact O-CB 3.23Å; I25-S111 WeakPolarHBondContact O-CB 3.27Å; Q103-S111 WeakPolarHBondContact CG-O 3.43Å; Q103-S111 WeakPolarHBondContact CG-OG 3.28Å; Q103-S111 PolarHBondContact NE2-O 3.22Å; L104-S111 PolarHBondContact N-OG 2.82Å; L104-S111 PolarHBondContact O-N 2.66Å
112K92.4Very high90.9Very high175 Ų17567.1 Ų67.176%0.76134%0.335SS*.  trans-68.3145.7160.7-65.8-175.6-179.1178.70109.8P27 K114P27-K112 WeakPolarHBondContact CB-O 3.32Å; K112-K114 PolarHBondContact O-N 3.49Å
113W93.2Very high90.4Very high77 Ų7767.5 Ų67.529%0.29234%0.339SS..  trans-66.5122.3172.8-73.795.4000110.9N57 Q59 G101 Q103 K115N57-W113 HydrophobicContact CB-CH2 4.13Å; N57-W113 WeakPolarHBondContact O-CZ3 3.4Å; Q59-W113 HydrophobicContact CB-CH2 4.14Å; Q59-W113 HydrophobicContact CB-CZ3 4.12Å; Q59-W113 HydrophobicContact CG-CH2 3.56Å; Q59-W113 HydrophobicContact CG-CZ2 4.19Å; Q59-W113 HydrophobicContact CG-CZ3 4.05Å; G101-W113 WeakPolarHBondContact O-CZ3 3.18Å; Q103-W113 HydrophobicContact CB-CD2 3.79Å; Q103-W113 HydrophobicContact CB-CE3 3.64Å; Q103-W113 HydrophobicContact CB-CG 4.48Å; Q103-W113 HydrophobicContact CB-CH2 3.82Å; Q103-W113 HydrophobicContact CB-CZ2 3.97Å; Q103-W113 HydrophobicContact CB-CZ3 3.66Å; Q103-W113 HydrophobicContact CG-CD2 4.35Å; Q103-W113 HydrophobicContact CG-CZ2 4.5Å; W113-K115 HydrophobicContact CB-CG 4.33Å
114K94.5Very high90.1Very high101 Ų10171.4 Ų71.444%0.43936%0.357SS..EExtended strand (participates in β ladder)trans-89.6109.5169.2-170.369.1172.8-173.40108.3V31 G101 V102 K112V31-K114 HydrophobicContact CB-CG 4.15Å; V31-K114 HydrophobicContact CG2-CB 3.94Å; V31-K114 HydrophobicContact CG2-CG 3.44Å; V31-K114 VanDerWaalsContact CG2-CG 3.44Å; G101-K114 WeakPolarHBondContact CA-O 3.07Å; V102-K114 PolarHBondContact N-O 2.99Å; V102-K114 PolarHBondContact O-N 2.82Å; K112-K114 PolarHBondContact O-N 3.49Å
115K93.4Very high89.9Confident110 Ų11071.4 Ų71.448%0.47836%0.357SS..EExtended strand (participates in β ladder)trans-100.8147.8-174.8-60.7-176.7179.9-168.70112.1W68 V100 W113W68-K115 HydrophobicContact CH2-CD 3.69Å; W68-K115 HydrophobicContact CH2-CG 4.09Å; W68-K115 HydrophobicContact CZ2-CD 3.85Å; V100-K115 CarbonylContact O-C 3.59Å; V100-K115 VanDerWaalsContact O-CA 3.25Å; V100-K115 WeakPolarHBondContact O-CA 3.39Å; W113-K115 HydrophobicContact CB-CG 4.33Å
116K93.3Very high89.8Confident92 Ų9274.7 Ų74.740%0.437%0.371SS..EExtended strand (participates in β ladder)trans-141.2136.9174.9-177.169.5177.4-159.70109.5V31 L33 L99 V100V31-K116 HydrophobicContact CG1-CB 4.15Å; L33-K116 HydrophobicContact CD1-CB 4.01Å; L33-K116 HydrophobicContact CD1-CG 3.34Å; L99-K116 WeakPolarHBondContact CA-O 3.35Å; V100-K116 HydrophobicContact CG1-CB 4.2Å; V100-K116 PolarHBondContact N-O 3.49Å; V100-K116 PolarHBondContact O-N 2.67Å
117R92.8Very high89.8Confident127 Ų12773.8 Ų73.848%0.47937%0.371SS..EExtended strand (participates in β ladder)trans-92145.4172178.3-177.4171.2170.3-5.2109.6Y63 Y98 L99Y63-R117 HydrophobicContact CD2-CB 4.46Å; Y63-R117 HydrophobicContact CD2-CG 3.96Å; Y63-R117 HydrophobicContact CE2-CG 4.31Å; Y98-R117 VanDerWaalsContact O-CA 3.29Å; Y98-R117 WeakPolarHBondContact O-CA 3.42Å; L99-R117 HydrophobicContact CD2-CB 3.96Å
118F90.8Very high90.1Very high4 Ų471.1 Ų71.12%0.01834%0.341CS..EExtended strand (participates in β ladder)trans-149.2157.3169.968.5-81.4000111.4L33 I35 V40 M60 I88 Y98 V100 L120L33-F118 HydrophobicContact CD1-CD1 4.42Å; L33-F118 HydrophobicContact CD2-CB 4.15Å; L33-F118 HydrophobicContact CD2-CD1 3.42Å; L33-F118 VanDerWaalsContact CD2-CD1 3.42Å; L33-F118 HydrophobicContact CD2-CD2 4.12Å; L33-F118 HydrophobicContact CD2-CE1 3.71Å; L33-F118 HydrophobicContact CD2-CE2 4.36Å; L33-F118 HydrophobicContact CD2-CG 3.65Å; L33-F118 HydrophobicContact CD2-CZ 4.17Å; I35-F118 HydrophobicContact CD1-CB 4.06Å; I35-F118 HydrophobicContact CD1-CD2 3.67Å; I35-F118 HydrophobicContact CD1-CG 4.25Å; V40-F118 HydrophobicContact CG1-CE2 4.34Å; M60-F118 HydrophobicContact SD-CE1 4.39Å; M60-F118 HydrophobicContact SD-CZ 3.99Å; I88-F118 HydrophobicContact CD1-CE2 4.25Å; I88-F118 HydrophobicContact CD1-CZ 4.28Å; Y98-F118 HydrophobicContact CD2-CE2 4.39Å; Y98-F118 HydrophobicContact CG-CE2 4.48Å; Y98-F118 HydrophobicContact CG-CZ 4.16Å; Y98-F118 PolarHBondContact N-O 2.81Å; Y98-F118 PolarHBondContact O-N 3.17Å; V100-F118 HydrophobicContact CB-CE1 4.19Å; V100-F118 HydrophobicContact CG1-CD1 4.34Å; V100-F118 HydrophobicContact CG1-CE1 4.24Å; F118-L120 HydrophobicContact CE2-CD2 4.34Å
119L89.3Confident90.5Very high33 Ų3366.3 Ų66.317%0.17332%0.321CS..EExtended strand (participates in β ladder)trans-117.5151.5162-70.972.1000109.2I35 A97 N121 E122I35-L119 WeakPolarHBondContact CD1-O 3.48Å; A97-L119 HydrophobicContact CB-CD1 3.75Å; A97-L119 HydrophobicContact CB-CG 3.96Å; L119-N121 VanDerWaalsContact C-N 3.3Å; L119-N121 WeakPolarHBondContact CB-OD1 3.28Å; L119-N121 PolarHBondContact O-N 2.97Å; L119-E122 HydrophobicContact CB-CG 4.04Å; L119-E122 PolarHBondContact N-OE2 2.61Å; L119-E122 PolarHBondContact O-N 2.87Å
120L87.9Confident90.8Very high3 Ų363.9 Ų63.92%0.01631%0.309CS..G310 helixtrans-70.4-25.9-178.1-72163.5000113.5I35 V40 I88 Y94 Y98 F118 E122 I152I35-L120 HydrophobicContact CG2-CD2 4.44Å; V40-L120 HydrophobicContact CG2-CD2 3.69Å; I88-L120 HydrophobicContact CD1-CD2 4.28Å; I88-L120 HydrophobicContact CG2-CD1 3.78Å; I88-L120 HydrophobicContact CG2-CD2 4.03Å; Y94-L120 HydrophobicContact CD1-CD1 4Å; Y94-L120 HydrophobicContact CG-CD1 4.48Å; Y98-L120 HydrophobicContact CE2-CD1 4.4Å; F118-L120 HydrophobicContact CE2-CD2 4.34Å; L120-E122 VanDerWaalsContact C-N 3.32Å; L120-I152 HydrophobicContact CB-CG1 4.3Å; L120-I152 HydrophobicContact CB-CG2 4.09Å
121N85.8Confident90.9Very high61 Ų6163.2 Ų63.233%0.32631%0.305SS..G310 helixtrans-78.3-13.4179.164-7.2000114L119 G123 I152 Y153 T213L119-N121 VanDerWaalsContact C-N 3.3Å; L119-N121 WeakPolarHBondContact CB-OD1 3.28Å; L119-N121 PolarHBondContact O-N 2.97Å; N121-G123 PolarHBondContact O-N 3.04Å; N121-I152 HydrophobicContact CB-CG2 3.93Å; N121-Y153 HydrophobicContact CB-CD1 4.07Å; N121-Y153 HydrophobicContact CB-CE1 3.58Å; N121-Y153 PolarHBondContact O-OH 3.4Å; N121-Y153 VanDerWaalsContact O-OH 3.05Å; N121-T213 PolarHBondContact O-OG1 3.11Å
122E85.8Confident91Very high121 Ų12163.8 Ų63.857%0.56531%0.307SS*.G310 helixtrans-75.6-6.9173.9-66.4171.7155.100113L119 L120L119-E122 HydrophobicContact CB-CG 4.04Å; L119-E122 PolarHBondContact N-OE2 2.61Å; L119-E122 PolarHBondContact O-N 2.87Å; L120-E122 VanDerWaalsContact C-N 3.32Å
123G85.1Confident91Very high8 Ų865 Ų658%0.08231%0.307CS..SBendtrans-72.3168.9-178.700000115.5I35 N121 T213I35-G123 CarbonylContact O-C 3.51Å; I35-G123 VanDerWaalsContact O-CA 3.28Å; I35-G123 WeakPolarHBondContact O-CA 3.49Å; N121-G123 PolarHBondContact O-N 3.04Å; G123-T213 WeakPolarHBondContact O-CG2 3.36Å
124E88.2Confident90.9Very high100 Ų10062.8 Ų62.847%0.46731%0.305SS..BIsolated β-bridgetrans-82122.4175.5-172.2173.3-17800111I35 S36 K216I35-E124 PolarHBondContact O-N 2.92Å; S36-E124 WeakPolarHBondContact CA-O 3.37Å; S36-E124 PolarHBondContact OG-O 3.11Å; E124-K216 IonicContact OE1-NZ 3.71Å; E124-K216 PolarHBondContact OE1-NZ 3.19Å; E124-K216 IonicContact OE2-NZ 2.83Å
125L90.2Very high90.7Very high2 Ų261.2 Ų61.21%0.0130%0.304CS..PPolyproline II helixtrans-72.5132.6171.1-71.5171000110.5L149 Y153 V206 A208 T213 S215L125-L149 HydrophobicContact CD2-CD2 3.64Å; L125-Y153 HydrophobicContact CD2-CE2 3.61Å; L125-V206 HydrophobicContact CB-CG1 4.09Å; L125-V206 HydrophobicContact CD1-CG1 4.29Å; L125-A208 HydrophobicContact CD1-CB 4.26Å; L125-T213 HydrophobicContact CB-CG2 4.41Å; L125-T213 HydrophobicContact CD1-CG2 3.84Å; L125-T213 HydrophobicContact CG-CG2 3.77Å; L125-S215 VanDerWaalsContact O-CA 3.3Å; L125-S215 WeakPolarHBondContact O-CA 3.22Å; L125-S215 VanDerWaalsContact O-CB 3.25Å; L125-S215 WeakPolarHBondContact O-CB 3.24Å
126Q91.5Very high90.5Very high92 Ų9257.1 Ų57.143%0.4329%0.289SS..PPolyproline II helixtrans-83.9156.4172.6-61.7-173.926.600110.4S36 E37 V206 S215S36-Q126 WeakPolarHBondContact OG-CG 3.17Å; S36-Q126 PolarHBondContact OG-NE2 2.97Å; E37-Q126 HydrophobicContact CG-CB 4.17Å; E37-Q126 HydrophobicContact CG-CG 4Å; E37-Q126 PolarHBondContact OE1-N 3.29Å; Q126-V206 WeakPolarHBondContact O-CG1 3.42Å; Q126-S215 WeakPolarHBondContact O-CB 3.29Å
127P92.3Very high90.3Very high51 Ų5155.2 Ų55.233%0.33129%0.287SS..PPolyproline II helixtrans-65132.6173.6-13.327.1000109.9K216P127-K216 WeakPolarHBondContact CB-O 3.35Å; P127-K216 HydrophobicContact CG-CB 4.2Å; P127-K216 WeakPolarHBondContact CG-O 3.23Å
128P91.4Very high90.2Very high14 Ų1450.8 Ų50.89%0.09127%0.274CS..PPolyproline II helixtrans-68.9144.1-175.430.5-36.9000111V143 Y159 V204 V206P128-V143 HydrophobicContact CB-CG1 3.93Å; P128-V143 HydrophobicContact CG-CG1 4.42Å; P128-Y159 HydrophobicContact CB-CD1 4.18Å; P128-Y159 HydrophobicContact CB-CE1 4.01Å; P128-Y159 HydrophobicContact CG-CD1 3.98Å; P128-Y159 HydrophobicContact CG-CE1 4.32Å; P128-V204 HydrophobicContact CG-CB 3.99Å; P128-V204 HydrophobicContact CG-CG1 3.57Å; P128-V206 HydrophobicContact CG-CB 4.35Å
129S91.8Very high90.3Very high77 Ų7750.6 Ų50.654%0.53827%0.274SS..PPolyproline II helixtrans-76.1144.2168.565.40000110.2H144S129-H144 PolarHBondContact O-N 3.23Å; S129-H144 WeakPolarHBondContact OG-CB 3.41Å
130F94Very high90.5Very high21 Ų2153.6 Ų53.69%0.09229%0.285CS..EExtended strand (participates in β ladder)trans-146173.6-177.466.8-79000110.7L132 V141 L142 I202 V204 S218 Q221F130-L132 HydrophobicContact CD2-CD2 3.93Å; F130-L132 HydrophobicContact CD2-CG 4.33Å; F130-L132 HydrophobicContact CE2-CD1 4.43Å; F130-L132 HydrophobicContact CE2-CD2 3.91Å; F130-L132 HydrophobicContact CE2-CG 4.11Å; F130-V141 HydrophobicContact CB-CG1 4.37Å; F130-V141 HydrophobicContact CD2-CG1 3.98Å; F130-L142 CarbonylContact C-O 3.54Å; F130-L142 WeakPolarHBondContact CA-O 3.42Å; F130-L142 WeakPolarHBondContact CB-O 3.14Å; F130-I202 HydrophobicContact CE2-CB 4.21Å; F130-I202 HydrophobicContact CE2-CG2 3.93Å; F130-I202 HydrophobicContact CZ-CG2 4.46Å; F130-I202 WeakPolarHBondContact CZ-O 3.11Å; F130-V204 HydrophobicContact CB-CG2 4.4Å; F130-V204 HydrophobicContact CD1-CB 4.34Å; F130-V204 HydrophobicContact CD1-CG2 3.71Å; F130-V204 HydrophobicContact CD2-CG2 4.17Å; F130-V204 HydrophobicContact CE1-CG2 3.97Å; F130-V204 HydrophobicContact CE2-CG2 4.36Å; F130-V204 HydrophobicContact CG-CG2 3.83Å; F130-V204 HydrophobicContact CZ-CG2 4.28Å; F130-S218 VanDerWaalsContact CE1-OG 3.29Å; F130-S218 WeakPolarHBondContact CE1-OG 3.28Å; F130-Q221 HydrophobicContact CE2-CB 3.76Å; F130-Q221 HydrophobicContact CZ-CB 3.6Å
131S93.5Very high90.8Very high50 Ų5053.5 Ų53.535%0.3529%0.285SS..EExtended strand (participates in β ladder)trans-146.4144.9177.8-67.70000111.5L142 H144S131-L142 PolarHBondContact N-O 2.98Å; S131-L142 PolarHBondContact O-N 3.13Å; S131-H144 PolarHBondContact OG-NE2 3.13Å
132L94.1Very high91.1Very high20 Ų2054 Ų5411%0.10529%0.287CS..EExtended strand (participates in β ladder)trans-109140.6-174.8-59.5-174.3000111.5F130 L139 K140 V141 I202 Q221 Q223F130-L132 HydrophobicContact CD2-CD2 3.93Å; F130-L132 HydrophobicContact CD2-CG 4.33Å; F130-L132 HydrophobicContact CE2-CD1 4.43Å; F130-L132 HydrophobicContact CE2-CD2 3.91Å; F130-L132 HydrophobicContact CE2-CG 4.11Å; L132-L139 HydrophobicContact CB-CD1 4.2Å; L132-L139 HydrophobicContact CD2-CD1 4.49Å; L132-K140 CarbonylContact C-O 3.59Å; L132-K140 WeakPolarHBondContact CA-O 3.33Å; L132-V141 HydrophobicContact CD2-CB 4.26Å; L132-V141 HydrophobicContact CD2-CG1 4.08Å; L132-V141 HydrophobicContact CD2-CG2 3.81Å; L132-I202 HydrophobicContact CD1-CB 4.45Å; L132-I202 HydrophobicContact CD2-CB 4.27Å; L132-I202 HydrophobicContact CD2-CD1 3.88Å; L132-I202 HydrophobicContact CD2-CG1 4.48Å; L132-Q221 HydrophobicContact CD1-CB 4.02Å; L132-Q221 HydrophobicContact CD1-CG 3.86Å; L132-Q221 WeakPolarHBondContact CD1-O 3.47Å; L132-Q221 HydrophobicContact CG-CG 4.36Å; L132-Q223 HydrophobicContact CD1-CB 4.14Å
133R92.5Very high91.4Very high200 Ų20048.3 Ų48.376%0.75526%0.261SS*.EExtended strand (participates in β ladder)trans-132.7117.3167.3-67.7-178180-114.91.9109.1K140R133-K140 HydrophobicContact CB-CB 4.37Å; R133-K140 PolarHBondContact N-O 2.85Å; R133-K140 PolarHBondContact O-N 3.21Å
134A91.5Very high91.6Very high31 Ų3151.6 Ų51.626%0.25627%0.274SS..EExtended strand (participates in β ladder)trans-98.7149177.700000111.8T138 L139 Q223 L225A134-T138 WeakPolarHBondContact CA-O 3.25Å; A134-L139 HydrophobicContact CB-CD1 4.11Å; A134-Q223 HydrophobicContact CB-CG 3.65Å; A134-L225 HydrophobicContact CB-CD1 3.94Å; A134-L225 HydrophobicContact CB-CG 4.21Å
135T89.8Confident91.2Very high68 Ų6850.6 Ų50.642%0.41727%0.269SS..  trans-124.3-176.2158.369.50000108.2S137 T138 L225T135-S137 PolarHBondContact O-N 2.77Å; T135-S137 VanDerWaalsContact O-N 3.14Å; T135-T138 PolarHBondContact N-O 2.95Å; T135-T138 PolarHBondContact OG1-N 3.44Å; T135-T138 PolarHBondContact OG1-OG1 3.41Å; T135-L225 WeakPolarHBondContact O-CG 3.48Å
136S88.2Confident91Very high25 Ų2552.5 Ų52.518%0.17528%0.279CS..SBendtrans-61-24.4-176.556.20000114.9W196 P226S136-W196 WeakPolarHBondContact O-CA 3.41Å; S136-W196 VanDerWaalsContact O-CB 3.27Å; S136-W196 WeakPolarHBondContact O-CB 3.28Å; S136-W196 PolarHBondContact O-N 2.87Å; S136-P226 WeakPolarHBondContact CA-O 3.32Å
137S89.1Confident90.6Very high51 Ų5152.1 Ų52.136%0.35729%0.285SS..SBendtrans-136.22.7-177.663.80000114.9T135 G193 L194T135-S137 PolarHBondContact O-N 2.77Å; T135-S137 VanDerWaalsContact O-N 3.14Å; S137-G193 PolarHBondContact O-N 2.88Å; S137-L194 PolarHBondContact O-N 2.91Å
138T91.6Very high90.3Very high34 Ų3451.8 Ų51.821%0.20928%0.28CS..  trans-133.4149.8179.478.70000112.5A134 T135 F191 T192A134-T138 WeakPolarHBondContact CA-O 3.25Å; T135-T138 PolarHBondContact N-O 2.95Å; T135-T138 PolarHBondContact OG1-N 3.44Å; T135-T138 PolarHBondContact OG1-OG1 3.41Å; T138-F191 CarbonylContact C-O 3.43Å; T138-F191 WeakPolarHBondContact CA-O 3.47Å; T138-F191 WeakPolarHBondContact CB-O 3.33Å; T138-T192 HydrophobicContact CG2-CG2 4.05Å
139L93.4Very high90Very high0 Ų051.4 Ų51.40%028%0.277CS..EExtended strand (participates in β ladder)trans-129.9111.5173.9-17853.9000108.6L132 A134 L163 F191 L194 I202 Q223L132-L139 HydrophobicContact CB-CD1 4.2Å; L132-L139 HydrophobicContact CD2-CD1 4.49Å; A134-L139 HydrophobicContact CB-CD1 4.11Å; L139-L163 HydrophobicContact CD2-CD1 4.05Å; L139-F191 HydrophobicContact CB-CB 4.49Å; L139-F191 PolarHBondContact N-O 3.39Å; L139-F191 PolarHBondContact O-N 2.91Å; L139-L194 HydrophobicContact CB-CD1 3.46Å; L139-L194 VanDerWaalsContact CB-CD1 3.46Å; L139-L194 HydrophobicContact CD2-CD1 4.45Å; L139-I202 HydrophobicContact CD2-CD1 3.54Å; L139-I202 HydrophobicContact CD2-CG1 4.12Å; L139-I202 HydrophobicContact CG-CD1 3.92Å; L139-Q223 HydrophobicContact CD1-CB 4.4Å
140K93.1Very high89.6Confident97 Ų9751.6 Ų51.642%0.42227%0.266SS..EExtended strand (participates in β ladder)trans-95.7122.7179.3-172.1174.2-172174.30109.4L132 R133 T188 K189L132-K140 CarbonylContact C-O 3.59Å; L132-K140 WeakPolarHBondContact CA-O 3.33Å; R133-K140 HydrophobicContact CB-CB 4.37Å; R133-K140 PolarHBondContact N-O 2.85Å; R133-K140 PolarHBondContact O-N 3.21Å; K140-T188 HydrophobicContact CD-CG2 4.17Å; K140-T188 HydrophobicContact CG-CG2 3.91Å; K140-K189 CarbonylContact C-O 3.52Å; K140-K189 WeakPolarHBondContact CA-O 3.39Å
141V93.6Very high89.2Confident0 Ų055.8 Ų55.80%028%0.284CS..EExtended strand (participates in β ladder)trans-103.7127.6174.5-168.60000108F130 L132 L161 T188 K189 F191 I202F130-V141 HydrophobicContact CB-CG1 4.37Å; F130-V141 HydrophobicContact CD2-CG1 3.98Å; L132-V141 HydrophobicContact CD2-CB 4.26Å; L132-V141 HydrophobicContact CD2-CG1 4.08Å; L132-V141 HydrophobicContact CD2-CG2 3.81Å; V141-L161 HydrophobicContact CB-CD2 3.91Å; V141-L161 HydrophobicContact CG1-CD2 3.88Å; V141-L161 HydrophobicContact CG2-CD2 4.02Å; V141-T188 CarbonylContact O-C 3.57Å; V141-T188 VanDerWaalsContact O-CA 3.28Å; V141-T188 WeakPolarHBondContact O-CA 3.3Å; V141-K189 PolarHBondContact N-O 2.85Å; V141-K189 PolarHBondContact O-N 3.19Å; V141-F191 HydrophobicContact CG2-CD2 4.1Å; V141-F191 HydrophobicContact CG2-CE2 3.81Å; V141-I202 HydrophobicContact CG2-CD1 3.33Å; V141-I202 HydrophobicContact CG2-CG2 4.36Å
142L92.2Very high88.9Confident72 Ų7253.6 Ų53.638%0.37727%0.268SS..EExtended strand (participates in β ladder)trans-110.7118.5168.2174.761.9000107.8F130 S131F130-L142 CarbonylContact C-O 3.54Å; F130-L142 WeakPolarHBondContact CA-O 3.42Å; F130-L142 WeakPolarHBondContact CB-O 3.14Å; S131-L142 PolarHBondContact N-O 2.98Å; S131-L142 PolarHBondContact O-N 3.13Å
143V92Very high88.5Confident2 Ų253.4 Ų53.41%0.01227%0.266CS..EExtended strand (participates in β ladder)trans-87.5130.2171.2-174.90000108.2P128 Y159 L177 R187 V204P128-V143 HydrophobicContact CB-CG1 3.93Å; P128-V143 HydrophobicContact CG-CG1 4.42Å; V143-Y159 HydrophobicContact CG1-CD1 3.84Å; V143-Y159 HydrophobicContact CG1-CD2 4.34Å; V143-Y159 HydrophobicContact CG1-CE1 3.8Å; V143-Y159 HydrophobicContact CG1-CE2 4.31Å; V143-Y159 HydrophobicContact CG1-CG 4.11Å; V143-L177 HydrophobicContact CG2-CD1 4.22Å; V143-R187 PolarHBondContact N-O 3.11Å; V143-V204 HydrophobicContact CG2-CG1 4.47Å
144H89.3Confident88Confident76 Ų7647.8 Ų47.835%0.35226%0.256SS..PPolyproline II helixtrans-80.2142.2179.6-63.5-54.7000110.7S129 S131S129-H144 PolarHBondContact O-N 3.23Å; S129-H144 WeakPolarHBondContact OG-CB 3.41Å; S131-H144 PolarHBondContact OG-NE2 3.13Å
145E80.8Confident87.7Confident79 Ų7953.9 Ų53.937%0.36928%0.277SS..PPolyproline II helixtrans-80.2127.9-176.6175.1176.7-165.500111.3R150 R187E145-R150 IonicContact OE1-CZ 2.61Å; E145-R150 IonicContact OE1-NE 2.67Å; E145-R150 IonicContact OE1-NH1 2.65Å; E145-R150 PolarHBondContact OE1-NH1 3.31Å; E145-R150 IonicContact OE1-NH2 2.61Å; E145-R187 IonicContact OE2-CZ 3.59Å; E145-R187 VanDerWaalsContact OE2-CZ 3.32Å; E145-R187 IonicContact OE2-NH1 2.74Å; E145-R187 PolarHBondContact OE2-NH1 2.92Å; E145-R187 IonicContact OE2-NH2 2.7Å
146N86.1Confident87.4Confident42 Ų4251.5 Ų51.523%0.22527%0.265CS..  trans-100.3105.4161.6-174.7-13.7000109.3E37 I148 L149E37-N146 PolarHBondContact OE2-ND2 3.44Å; N146-I148 PolarHBondContact O-N 3.2Å; N146-I148 VanDerWaalsContact O-N 3.13Å; N146-I148 VanDerWaalsContact OD1-CG2 3.22Å; N146-I148 WeakPolarHBondContact OD1-CG2 3.17Å; N146-I148 PolarHBondContact OD1-N 3.36Å; N146-L149 HydrophobicContact CB-CD1 3.98Å; N146-L149 HydrophobicContact CB-CG 3.99Å; N146-L149 PolarHBondContact O-N 3.49Å
147P83.3Confident87.5Confident85 Ų8550.3 Ų50.355%0.55226%0.257SS*.Hα-helixtrans-67.9-14.3-172.328.6-36.3000114
148I84.8Confident87.5Confident43 Ų4348.6 Ų48.622%0.22125%0.245CC..Hα-helixtrans-77.9-27.6178.4-147.6158.4000112.1E37 Y94 N146 R150 K151 I152E37-I148 HydrophobicContact CB-CG2 4.34Å; E37-I148 VanDerWaalsContact O-CG2 3.25Å; E37-I148 WeakPolarHBondContact O-CG2 3.37Å; Y94-I148 HydrophobicContact CE1-CG1 4.33Å; N146-I148 PolarHBondContact O-N 3.2Å; N146-I148 VanDerWaalsContact O-N 3.13Å; N146-I148 VanDerWaalsContact OD1-CG2 3.22Å; N146-I148 WeakPolarHBondContact OD1-CG2 3.17Å; N146-I148 PolarHBondContact OD1-N 3.36Å; I148-R150 PolarHBondContact O-N 3.3Å; I148-K151 PolarHBondContact O-N 3.15Å; I148-K151 VanDerWaalsContact O-N 3.13Å; I148-I152 HydrophobicContact CG1-CD1 4.2Å; I148-I152 HydrophobicContact CG2-CD1 4.31Å; I148-I152 WeakPolarHBondContact O-CG1 3.35Å; I148-I152 PolarHBondContact O-N 3.41Å; I148-I152 VanDerWaalsContact O-N 3.11Å
149L86.1Confident87.4Confident6 Ų647.1 Ų47.13%0.03124%0.235CC..Hα-helixtrans-63.6-40.9-179.8-63.2-177.3000111.2E37 L125 N146 K151 I152 Y153 V157E37-L149 HydrophobicContact CG-CD2 4.4Å; L125-L149 HydrophobicContact CD2-CD2 3.64Å; N146-L149 HydrophobicContact CB-CD1 3.98Å; N146-L149 HydrophobicContact CB-CG 3.99Å; N146-L149 PolarHBondContact O-N 3.49Å; L149-K151 VanDerWaalsContact C-N 3.25Å; L149-K151 PolarHBondContact O-N 3.43Å; L149-I152 PolarHBondContact O-N 2.95Å; L149-Y153 HydrophobicContact CB-CD2 4.44Å; L149-Y153 HydrophobicContact CD2-CD2 4.37Å; L149-Y153 HydrophobicContact CD2-CE2 4.11Å; L149-Y153 WeakPolarHBondContact O-CB 3.08Å; L149-Y153 WeakPolarHBondContact O-CD2 3.47Å; L149-Y153 PolarHBondContact O-N 2.83Å; L149-V157 HydrophobicContact CB-CG1 4.33Å
150R82.8Confident87.4Confident81 Ų8148.4 Ų48.431%0.30624%0.242SC..Hα-helixtrans-61.7-30.6175.4-69.7-174.5179.5158.74.6113.6E145 I148 D179E145-R150 IonicContact OE1-CZ 2.61Å; E145-R150 IonicContact OE1-NE 2.67Å; E145-R150 IonicContact OE1-NH1 2.65Å; E145-R150 PolarHBondContact OE1-NH1 3.31Å; E145-R150 IonicContact OE1-NH2 2.61Å; I148-R150 PolarHBondContact O-N 3.3Å; R150-D179 IonicContact CZ-OD1 3.04Å; R150-D179 IonicContact CZ-OD2 3.79Å; R150-D179 IonicContact NE-OD1 3.76Å; R150-D179 IonicContact NE-OD2 3.18Å; R150-D179 PolarHBondContact NE-OD2 3.46Å; R150-D179 VanDerWaalsContact NH2-CG 3.28Å; R150-D179 IonicContact NH2-OD1 3.32Å; R150-D179 PolarHBondContact NH2-OD1 3.37Å; R150-D179 IonicContact NH2-OD2 3.51Å; R150-D179 PolarHBondContact NH2-OD2 2.61Å; R150-D179 VanDerWaalsContact NH2-OD2 3.07Å
151K85.4Confident87.4Confident110 Ų11043.8 Ų43.848%0.47822%0.222SC..Hα-helixtrans-75.8-39.9176.3-59.3-172.9-178-176.70111.8Y94 I148 L149Y94-K151 VanDerWaalsContact CB-O 3.23Å; Y94-K151 WeakPolarHBondContact CB-O 3.39Å; Y94-K151 HydrophobicContact CD1-CB 4.07Å; Y94-K151 HydrophobicContact CD2-CB 3.81Å; Y94-K151 HydrophobicContact CD2-CD 4.07Å; Y94-K151 HydrophobicContact CD2-CG 4.5Å; Y94-K151 HydrophobicContact CE1-CB 4.47Å; Y94-K151 HydrophobicContact CE1-CD 4.4Å; Y94-K151 HydrophobicContact CE2-CB 4.26Å; Y94-K151 HydrophobicContact CE2-CD 3.68Å; Y94-K151 HydrophobicContact CG-CB 3.74Å; I148-K151 PolarHBondContact O-N 3.15Å; I148-K151 VanDerWaalsContact O-N 3.13Å; L149-K151 VanDerWaalsContact C-N 3.25Å; L149-K151 PolarHBondContact O-N 3.43Å
152I86.8Confident87.3Confident4 Ų445.4 Ų45.42%0.02123%0.228CC..Hα-helixtrans-76.8-35.6-178-63.8169.1000111.7Y94 L120 N121 I148 L149 P154Y94-I152 HydrophobicContact CD1-CG1 4Å; L120-I152 HydrophobicContact CB-CG1 4.3Å; L120-I152 HydrophobicContact CB-CG2 4.09Å; N121-I152 HydrophobicContact CB-CG2 3.93Å; I148-I152 HydrophobicContact CG1-CD1 4.2Å; I148-I152 HydrophobicContact CG2-CD1 4.31Å; I148-I152 WeakPolarHBondContact O-CG1 3.35Å; I148-I152 PolarHBondContact O-N 3.41Å; I148-I152 VanDerWaalsContact O-N 3.11Å; L149-I152 PolarHBondContact O-N 2.95Å; I152-P154 WeakPolarHBondContact O-CD 3.44Å
153Y86.9Confident87.3Confident15 Ų1542.4 Ų42.46%0.05921%0.212CC..  trans-11588.4-176.6-59.5-74.7000110.2N121 L125 L149 F155 G156 V157 A208N121-Y153 HydrophobicContact CB-CD1 4.07Å; N121-Y153 HydrophobicContact CB-CE1 3.58Å; N121-Y153 PolarHBondContact O-OH 3.4Å; N121-Y153 VanDerWaalsContact O-OH 3.05Å; L125-Y153 HydrophobicContact CD2-CE2 3.61Å; L149-Y153 HydrophobicContact CB-CD2 4.44Å; L149-Y153 HydrophobicContact CD2-CD2 4.37Å; L149-Y153 HydrophobicContact CD2-CE2 4.11Å; L149-Y153 WeakPolarHBondContact O-CB 3.08Å; L149-Y153 WeakPolarHBondContact O-CD2 3.47Å; L149-Y153 PolarHBondContact O-N 2.83Å; Y153-F155 PolarHBondContact O-N 2.91Å; Y153-F155 VanDerWaalsContact O-N 3.14Å; Y153-G156 PolarHBondContact O-N 3.05Å; Y153-V157 HydrophobicContact CD2-CG1 4.16Å; Y153-V157 HydrophobicContact CG-CG1 4.37Å; Y153-A208 HydrophobicContact CD1-CB 3.41Å; Y153-A208 VanDerWaalsContact CD1-CB 3.41Å; Y153-A208 HydrophobicContact CE1-CB 3.38Å; Y153-A208 HydrophobicContact CG-CB 4.06Å
154P82Confident87.3Confident83 Ų8343.9 Ų43.954%0.53922%0.219SC..THydrogen-bonded Turntrans-67.7-14-174.928.7-37.5000114T95 I152 G156T95-P154 HydrophobicContact CG2-CB 4.41Å; T95-P154 HydrophobicContact CG2-CG 3.9Å; I152-P154 WeakPolarHBondContact O-CD 3.44Å; P154-G156 VanDerWaalsContact C-N 3.33Å
155F83.8Confident87.2Confident159 Ų15942 Ų4270%0.69721%0.212SC*.THydrogen-bonded Turntrans-91.66.1173.1-54.5-65000112.9Y153 N209Y153-F155 PolarHBondContact O-N 2.91Å; Y153-F155 VanDerWaalsContact O-N 3.14Å; F155-N209 HydrophobicContact CB-CB 3.91Å; F155-N209 WeakPolarHBondContact O-CB 3.27Å; F155-N209 PolarHBondContact O-ND2 3.26Å
156G85.2Confident87.3Confident17 Ų1740.4 Ų40.418%0.17521%0.213CC..  trans81.5-171.5-177.400000114.4Y153 P154 N209Y153-G156 PolarHBondContact O-N 3.05Å; P154-G156 VanDerWaalsContact C-N 3.33Å; G156-N209 WeakPolarHBondContact O-CB 3.33Å; G156-N209 PolarHBondContact O-N 3.39Å; G156-N209 VanDerWaalsContact O-N 3.12Å
157V88.4Confident86.9Confident1 Ų142.6 Ų42.61%0.00625%0.246CC..EExtended strand (participates in β ladder)trans-133.8148.5176.5-63.30000110.1L149 Y153 Y159 D179 V206 K207L149-V157 HydrophobicContact CB-CG1 4.33Å; Y153-V157 HydrophobicContact CD2-CG1 4.16Å; Y153-V157 HydrophobicContact CG-CG1 4.37Å; V157-Y159 HydrophobicContact CG2-CE1 4.34Å; V157-Y159 HydrophobicContact CG2-CE2 4.08Å; V157-D179 HydrophobicContact CG2-CB 4.13Å; V157-D179 WeakPolarHBondContact O-CB 3.29Å; V157-D179 PolarHBondContact O-N 2.83Å; V157-V206 HydrophobicContact CB-CG2 3.82Å; V157-V206 HydrophobicContact CG1-CG2 4.33Å; V157-V206 HydrophobicContact CG2-CG2 4.12Å; V157-K207 WeakPolarHBondContact CA-O 3.3Å
158T89.1Confident86.4Confident14 Ų1446.1 Ų46.19%0.08625%0.248CC..EExtended strand (participates in β ladder)trans-114128.3174.2-61.30000109.3Y176 L177 E178 K207 N209T158-Y176 HydrophobicContact CG2-CD1 4.12Å; T158-L177 CarbonylContact C-O 3.53Å; T158-L177 WeakPolarHBondContact CA-O 3.45Å; T158-E178 HydrophobicContact CG2-CG 4.19Å; T158-K207 PolarHBondContact N-O 2.91Å; T158-K207 PolarHBondContact O-N 3.16Å; T158-N209 PolarHBondContact OG1-OD1 3.3Å
159Y91.4Very high85.4Confident4 Ų452 Ų522%0.01628%0.275CS..EExtended strand (participates in β ladder)trans-92.9131.5173.8-52.5-78.9000110P128 V143 V157 Y176 L177 D179 E205 V206P128-Y159 HydrophobicContact CB-CD1 4.18Å; P128-Y159 HydrophobicContact CB-CE1 4.01Å; P128-Y159 HydrophobicContact CG-CD1 3.98Å; P128-Y159 HydrophobicContact CG-CE1 4.32Å; V143-Y159 HydrophobicContact CG1-CD1 3.84Å; V143-Y159 HydrophobicContact CG1-CD2 4.34Å; V143-Y159 HydrophobicContact CG1-CE1 3.8Å; V143-Y159 HydrophobicContact CG1-CE2 4.31Å; V143-Y159 HydrophobicContact CG1-CG 4.11Å; V157-Y159 HydrophobicContact CG2-CE1 4.34Å; V157-Y159 HydrophobicContact CG2-CE2 4.08Å; Y159-Y176 CarbonylContact O-C 3.52Å; Y159-Y176 WeakPolarHBondContact O-CA 3.45Å; Y159-L177 PolarHBondContact N-O 2.65Å; Y159-L177 PolarHBondContact O-N 2.77Å; Y159-D179 HydrophobicContact CE2-CB 4.06Å; Y159-E205 CarbonylContact C-O 3.6Å; Y159-E205 WeakPolarHBondContact CA-O 3.42Å; Y159-V206 HydrophobicContact CD1-CB 3.76Å; Y159-V206 HydrophobicContact CD1-CG2 3.68Å; Y159-V206 HydrophobicContact CE1-CB 3.94Å; Y159-V206 HydrophobicContact CE1-CG2 3.55Å
160M91.6Very high84.4Confident27 Ų2759.3 Ų59.313%0.13331%0.314CS..EExtended strand (participates in β ladder)trans-105.8118173.7-107.2-179.25800109.6Y162 Y176 V204 E205M160-Y162 HydrophobicContact CE-CE1 3.79Å; M160-Y162 HydrophobicContact CE-CE2 4.41Å; M160-Y162 VanDerWaalsContact CE-OH 3.27Å; M160-Y162 WeakPolarHBondContact CE-OH 3.4Å; M160-Y176 HydrophobicContact CG-CD1 3.47Å; M160-Y176 VanDerWaalsContact CG-CD1 3.47Å; M160-Y176 HydrophobicContact CG-CE1 3.39Å; M160-Y176 HydrophobicContact CG-CG 4.32Å; M160-Y176 HydrophobicContact SD-CD1 4.02Å; M160-Y176 HydrophobicContact SD-CE1 3.29Å; M160-Y176 WeakPolarHBondContact SD-CE1 3.44Å; M160-V204 CarbonylContact O-C 3.56Å; M160-V204 VanDerWaalsContact O-CA 3.31Å; M160-V204 WeakPolarHBondContact O-CA 3.47Å; M160-E205 HydrophobicContact CB-CG 3.56Å; M160-E205 VanDerWaalsContact CE-OE1 3.24Å; M160-E205 WeakPolarHBondContact CE-OE1 3.4Å; M160-E205 PolarHBondContact N-O 3.23Å; M160-E205 PolarHBondContact O-N 2.87Å
161L93.3Very high83.8Confident0 Ų061.6 Ų61.60%033%0.326CS..EExtended strand (participates in β ladder)trans-100.9132.8179.6-75.667.6000109.5V141 K174 V175 L177 K189 F191 V204V141-L161 HydrophobicContact CB-CD2 3.91Å; V141-L161 HydrophobicContact CG1-CD2 3.88Å; V141-L161 HydrophobicContact CG2-CD2 4.02Å; L161-K174 CarbonylContact O-C 3.55Å; L161-K174 WeakPolarHBondContact O-CA 3.48Å; L161-V175 PolarHBondContact N-O 3.07Å; L161-V175 PolarHBondContact O-N 3.25Å; L161-L177 HydrophobicContact CD1-CB 4.35Å; L161-L177 HydrophobicContact CD1-CD1 3.7Å; L161-L177 HydrophobicContact CD1-CG 3.9Å; L161-L177 HydrophobicContact CD2-CD1 4.05Å; L161-K189 HydrophobicContact CD2-CB 3.67Å; L161-K189 HydrophobicContact CD2-CG 4.42Å; L161-F191 HydrophobicContact CB-CZ 4.33Å; L161-F191 HydrophobicContact CD2-CE2 4.19Å; L161-F191 HydrophobicContact CD2-CZ 4.44Å; L161-V204 HydrophobicContact CD1-CG1 4.04Å; L161-V204 HydrophobicContact CG-CG1 4.33Å; L161-V204 HydrophobicContact CG-CG2 4.22Å
162Y92.4Very high83.6Confident33 Ų3358.8 Ų58.813%0.12932%0.318CS..EExtended strand (participates in β ladder)trans-112.2116.6173.8-55.8-88000108.9M160 T172 K174 I202 S203 E205 V217M160-Y162 HydrophobicContact CE-CE1 3.79Å; M160-Y162 HydrophobicContact CE-CE2 4.41Å; M160-Y162 VanDerWaalsContact CE-OH 3.27Å; M160-Y162 WeakPolarHBondContact CE-OH 3.4Å; Y162-T172 HydrophobicContact CD1-CG2 3.87Å; Y162-T172 HydrophobicContact CG-CG2 4.32Å; Y162-K174 HydrophobicContact CD1-CD 4.27Å; Y162-K174 HydrophobicContact CD1-CG 3.86Å; Y162-K174 HydrophobicContact CE1-CD 3.99Å; Y162-K174 HydrophobicContact CE1-CG 4.08Å; Y162-I202 VanDerWaalsContact O-CA 3.3Å; Y162-I202 WeakPolarHBondContact O-CA 3.45Å; Y162-S203 PolarHBondContact N-O 3.43Å; Y162-S203 PolarHBondContact O-N 2.94Å; Y162-S203 VanDerWaalsContact O-N 3.15Å; Y162-E205 HydrophobicContact CE2-CB 4.46Å; Y162-E205 HydrophobicContact CE2-CG 3.92Å; Y162-E205 PolarHBondContact OH-OE1 2.68Å; Y162-E205 VanDerWaalsContact OH-OE1 3.09Å; Y162-E205 PolarHBondContact OH-OE2 3.12Å; Y162-V217 HydrophobicContact CD2-CG1 4.31Å; Y162-V217 HydrophobicContact CE2-CG1 4.2Å; Y162-V217 HydrophobicContact CE2-CG2 4.11Å
163L91.7Very high83.5Confident9 Ų961.6 Ų61.65%0.04734%0.335CS..EExtended strand (participates in β ladder)trans-102123.6172.8176.170.7000109.9L139 T172 T173 F191 L194 Y200 I202L139-L163 HydrophobicContact CD2-CD1 4.05Å; L163-T172 CarbonylContact O-C 3.6Å; L163-T172 VanDerWaalsContact O-CA 3.3Å; L163-T172 WeakPolarHBondContact O-CA 3.35Å; L163-T173 PolarHBondContact N-O 2.86Å; L163-T173 PolarHBondContact O-N 2.04Å; L163-F191 HydrophobicContact CB-CD1 4.37Å; L163-F191 HydrophobicContact CB-CE1 3.88Å; L163-F191 HydrophobicContact CB-CZ 3.96Å; L163-F191 HydrophobicContact CD2-CB 4.25Å; L163-F191 HydrophobicContact CD2-CD1 3.58Å; L163-F191 HydrophobicContact CD2-CE1 3.95Å; L163-F191 HydrophobicContact CD2-CG 3.88Å; L163-L194 HydrophobicContact CD2-CD2 3.95Å; L163-Y200 HydrophobicContact CD1-CD1 3.76Å; L163-Y200 HydrophobicContact CD1-CG 4.29Å; L163-Y200 HydrophobicContact CD2-CD1 4.29Å; L163-Y200 HydrophobicContact CG-CD1 4.14Å; L163-I202 HydrophobicContact CD1-CD1 3.84Å; L163-I202 HydrophobicContact CD1-CG1 3.64Å
164E91.6Very high83.6Confident34 Ų3466.9 Ų66.916%0.15936%0.359CS..EExtended strand (participates in β ladder)trans-124.2152.7177.1-64178.9-175.900111.1T172 Y200 C201 K220E164-T172 HydrophobicContact CG-CG2 3.85Å; E164-Y200 CarbonylContact O-C 3.57Å; E164-Y200 WeakPolarHBondContact O-CA 3.48Å; E164-C201 PolarHBondContact N-O 3.17Å; E164-C201 PolarHBondContact O-N 2.91Å; E164-K220 IonicContact OE1-NZ 3.56Å; E164-K220 PolarHBondContact OE1-NZ 3.36Å; E164-K220 WeakPolarHBondContact OE2-CE 3.45Å; E164-K220 IonicContact OE2-NZ 3.33Å; E164-K220 PolarHBondContact OE2-NZ 3.49Å
165V88.5Confident84Confident35 Ų3564.1 Ų64.121%0.21234%0.34CS..EExtended strand (participates in β ladder)trans-95.1127.3169.8-1740000108.1G167 R168 Y200V165-G167 PolarHBondContact O-N 2.95Å; V165-R168 HydrophobicContact CB-CB 4.36Å; V165-R168 PolarHBondContact O-N 3.14Å; V165-Y200 HydrophobicContact CG2-CD1 3.99Å; V165-Y200 HydrophobicContact CG2-CE1 3.63Å
166A82.9Confident84.2Confident47 Ų4763.3 Ų63.339%0.38833%0.333SS..THydrogen-bonded Turntrans-56.5129.7179.100000110.7N199A166-N199 HydrophobicContact CB-CB 3.87Å; A166-N199 WeakPolarHBondContact CB-O 3.3Å; A166-N199 PolarHBondContact N-O 2.76Å
167G76Confident84.2Confident88 Ų8863.1 Ų63.191%0.90733%0.329SS*.THydrogen-bonded Turntrans79.28.4-174.800000115.5V165V165-G167 PolarHBondContact O-N 2.95Å
168R74.4Confident83.8Confident158 Ų15868.5 Ų68.560%0.59635%0.353SS*.EExtended strand (participates in β ladder)trans-135.887.8171.4-174.8-178.6-69.3-154.7-3.4111.3V165 N170 K171V165-R168 HydrophobicContact CB-CB 4.36Å; V165-R168 PolarHBondContact O-N 3.14Å; R168-N170 VanDerWaalsContact C-N 3.25Å; R168-N170 PolarHBondContact O-N 3.4Å; R168-K171 HydrophobicContact CG-CB 4.39Å
169E63.6Low83Confident167 Ų16768.6 Ų68.678%0.7835%0.353SS*.EExtended strand (participates in β ladder)trans-64.5-26.7-177.1-58-177.2159.100113.2K171E169-K171 VanDerWaalsContact C-N 3.34Å; E169-K171 PolarHBondContact O-N 3.09Å
170N65.3Low81.7Confident160 Ų16072.8 Ų72.886%0.85638%0.376SS*.EExtended strand (participates in β ladder)trans-86.510.9-172.4-61.5-10.4000115.1R168R168-N170 VanDerWaalsContact C-N 3.25Å; R168-N170 PolarHBondContact O-N 3.4Å
171K69.1Low80Confident128 Ų12880.3 Ų80.356%0.55741%0.411SS*.EExtended strand (participates in β ladder)trans-133.171.4178.2-164174.4-178.6174.70112.2R168 E169R168-K171 HydrophobicContact CG-CB 4.39Å; E169-K171 VanDerWaalsContact C-N 3.34Å; E169-K171 PolarHBondContact O-N 3.09Å
172T81.9Confident78.1Confident51 Ų5184.1 Ų84.131%0.31345%0.45SS..EExtended strand (participates in β ladder)trans-90.8113.6171.3-45.30000110.7Y162 L163 E164Y162-T172 HydrophobicContact CD1-CG2 3.87Å; Y162-T172 HydrophobicContact CG-CG2 4.32Å; L163-T172 CarbonylContact O-C 3.6Å; L163-T172 VanDerWaalsContact O-CA 3.3Å; L163-T172 WeakPolarHBondContact O-CA 3.35Å; E164-T172 HydrophobicContact CG-CG2 3.85Å
173T84.8Confident76.4Confident63 Ų6385.9 Ų85.939%0.38746%0.462SS..EExtended strand (participates in β ladder)trans-85.9119.4169.4-62.80000109L163 V175 F191L163-T173 PolarHBondContact N-O 2.86Å; L163-T173 PolarHBondContact O-N 2.04Å; T173-V175 HydrophobicContact CG2-CG2 4.13Å; T173-F191 HydrophobicContact CG2-CE1 4.48Å
174K88.9Confident74.7Confident126 Ų12690 Ų9055%0.54849%0.489SS..EExtended strand (participates in β ladder)trans-95.4134.8177.3-58-174.2-175.2178.60110L161 Y162L161-K174 CarbonylContact O-C 3.55Å; L161-K174 WeakPolarHBondContact O-CA 3.48Å; Y162-K174 HydrophobicContact CD1-CD 4.27Å; Y162-K174 HydrophobicContact CD1-CG 3.86Å; Y162-K174 HydrophobicContact CE1-CD 3.99Å; Y162-K174 HydrophobicContact CE1-CG 4.08Å
175V89.2Confident73.1Confident25 Ų2595.1 Ų95.115%0.15251%0.513CS..EExtended strand (participates in β ladder)trans-140.3137.6179.1179.50000110L161 T173 K189 F191L161-V175 PolarHBondContact N-O 3.07Å; L161-V175 PolarHBondContact O-N 3.25Å; T173-V175 HydrophobicContact CG2-CG2 4.13Å; V175-K189 HydrophobicContact CG1-CD 3.63Å; V175-K189 HydrophobicContact CG1-CG 4.09Å; V175-F191 HydrophobicContact CB-CE1 4.4Å; V175-F191 HydrophobicContact CB-CZ 4.38Å; V175-F191 HydrophobicContact CG2-CE1 3.61Å; V175-F191 HydrophobicContact CG2-CZ 4.06Å
176Y88.1Confident72Confident142 Ų14294 Ų9456%0.55751%0.508SS*.EExtended strand (participates in β ladder)trans-93.3143.5174.3-55.7-93.4000110.1T158 Y159 M160T158-Y176 HydrophobicContact CG2-CD1 4.12Å; Y159-Y176 CarbonylContact O-C 3.52Å; Y159-Y176 WeakPolarHBondContact O-CA 3.45Å; M160-Y176 HydrophobicContact CG-CD1 3.47Å; M160-Y176 VanDerWaalsContact CG-CD1 3.47Å; M160-Y176 HydrophobicContact CG-CE1 3.39Å; M160-Y176 HydrophobicContact CG-CG 4.32Å; M160-Y176 HydrophobicContact SD-CD1 4.02Å; M160-Y176 HydrophobicContact SD-CE1 3.29Å; M160-Y176 WeakPolarHBondContact SD-CE1 3.44Å
177L86.1Confident71.7Confident14 Ų1494.7 Ų94.77%0.07350%0.501CS..EExtended strand (participates in β ladder)trans-128.1123.5167.3-74.9-176.4000107.9V143 T158 Y159 L161 K189V143-L177 HydrophobicContact CG2-CD1 4.22Å; T158-L177 CarbonylContact C-O 3.53Å; T158-L177 WeakPolarHBondContact CA-O 3.45Å; Y159-L177 PolarHBondContact N-O 2.65Å; Y159-L177 PolarHBondContact O-N 2.77Å; L161-L177 HydrophobicContact CD1-CB 4.35Å; L161-L177 HydrophobicContact CD1-CD1 3.7Å; L161-L177 HydrophobicContact CD1-CG 3.9Å; L161-L177 HydrophobicContact CD2-CD1 4.05Å; L177-K189 HydrophobicContact CD1-CB 4.03Å; L177-K189 HydrophobicContact CD2-CB 3.98Å; L177-K189 HydrophobicContact CD2-CD 3.54Å; L177-K189 HydrophobicContact CD2-CG 4.35Å; L177-K189 HydrophobicContact CG-CB 4.24Å; L177-K189 HydrophobicContact CG-CD 4.35Å
178E79.6Confident72.3Confident113 Ų11392 Ų9253%0.52847%0.467SS..EExtended strand (participates in β ladder)trans-96.5134.5176.6-63.2178.4156.800108.5T158 D180T158-E178 HydrophobicContact CG2-CG 4.19Å; E178-D180 PolarHBondContact O-N 3.2Å
179D71.8Confident73Confident16 Ų1687.9 Ų87.99%0.08645%0.453CS..  trans-80.966.6179.1-169.737.5000110.9R150 V157 Y159 E181R150-D179 IonicContact CZ-OD1 3.04Å; R150-D179 IonicContact CZ-OD2 3.79Å; R150-D179 IonicContact NE-OD1 3.76Å; R150-D179 IonicContact NE-OD2 3.18Å; R150-D179 PolarHBondContact NE-OD2 3.46Å; R150-D179 VanDerWaalsContact NH2-CG 3.28Å; R150-D179 IonicContact NH2-OD1 3.32Å; R150-D179 PolarHBondContact NH2-OD1 3.37Å; R150-D179 IonicContact NH2-OD2 3.51Å; R150-D179 PolarHBondContact NH2-OD2 2.61Å; R150-D179 VanDerWaalsContact NH2-OD2 3.07Å; V157-D179 HydrophobicContact CG2-CB 4.13Å; V157-D179 WeakPolarHBondContact O-CB 3.29Å; V157-D179 PolarHBondContact O-N 2.83Å; Y159-D179 HydrophobicContact CE2-CB 4.06Å; D179-E181 PolarHBondContact O-N 2.85Å
180D65.3Low74.4Confident92 Ų9282.9 Ų82.949%0.49243%0.434SS..  trans-67.2123.4-177.4-71.5-24.8000112.2E178 G182 N183E178-D180 PolarHBondContact O-N 3.2Å; D180-G182 PolarHBondContact O-N 2.89Å; D180-N183 PolarHBondContact O-N 3.45Å
181E55.3Low75.6Confident186 Ų18676.1 Ų76.187%0.86940%0.397SS*.THydrogen-bonded Turntrans-67.1104.8178.1-171.6167-153.400110.8D179D179-E181 PolarHBondContact O-N 2.85Å
182G54Low76.5Confident79 Ų7974.9 Ų74.981%0.81440%0.401SS*.THydrogen-bonded Turntrans123-16.5178.500000114.7D180 P184D180-G182 PolarHBondContact O-N 2.89Å; G182-P184 WeakPolarHBondContact O-CD 3.38Å
183N57.4Low76.8Confident71 Ų7175.7 Ų75.738%0.3842%0.419SS..  trans-105.2106.9177.7-169.81.5000112.5D180 E185 G186D180-N183 PolarHBondContact O-N 3.45Å; N183-E185 PolarHBondContact O-N 3.07Å; N183-E185 VanDerWaalsContact O-N 3.16Å; N183-E185 VanDerWaalsContact OD1-CB 3.32Å; N183-E185 WeakPolarHBondContact OD1-CB 3.5Å; N183-E185 PolarHBondContact OD1-N 2.87Å; N183-G186 PolarHBondContact O-N 2.87Å
184P54.4Low77Confident95 Ų9573.5 Ų73.562%0.61741%0.405SS*.THydrogen-bonded Turntrans-63.9-17.8174.227.9-34.6000113.3G182G182-P184 WeakPolarHBondContact O-CD 3.38Å
185E59Low76.9Confident142 Ų14272 Ų7266%0.66440%0.399SS*.THydrogen-bonded Turntrans-78.5-18.6173.8-54.7-162.3138.300113.7N183 R187 T188N183-E185 PolarHBondContact O-N 3.07Å; N183-E185 VanDerWaalsContact O-N 3.16Å; N183-E185 VanDerWaalsContact OD1-CB 3.32Å; N183-E185 WeakPolarHBondContact OD1-CB 3.5Å; N183-E185 PolarHBondContact OD1-N 2.87Å; E185-R187 PolarHBondContact O-N 2.82Å; E185-R187 VanDerWaalsContact O-N 3.12Å; E185-T188 WeakPolarHBondContact O-CA 3.31Å; E185-T188 WeakPolarHBondContact O-CB 3.44Å; E185-T188 PolarHBondContact O-N 2.95Å; E185-T188 VanDerWaalsContact O-O 3.1Å
186G64.6Low76.8Confident10 Ų1077.1 Ų77.110%0.10342%0.416CS..THydrogen-bonded Turntrans-58.1-29.4179.900000113.6N183 T188N183-G186 PolarHBondContact O-N 2.87Å; G186-T188 VanDerWaalsContact C-N 3.29Å; G186-T188 PolarHBondContact O-N 2.84Å
187R77.9Confident76.8Confident62 Ų6272.1 Ų72.123%0.23441%0.408CS..THydrogen-bonded Turntrans-84.74.2176.1-67.9177.1-76.4167.8-20.7114.4V143 E145 E185V143-R187 PolarHBondContact N-O 3.11Å; E145-R187 IonicContact OE2-CZ 3.59Å; E145-R187 VanDerWaalsContact OE2-CZ 3.32Å; E145-R187 IonicContact OE2-NH1 2.74Å; E145-R187 PolarHBondContact OE2-NH1 2.92Å; E145-R187 IonicContact OE2-NH2 2.7Å; E185-R187 PolarHBondContact O-N 2.82Å; E185-R187 VanDerWaalsContact O-N 3.12Å
188T87.6Confident77Confident32 Ų3276 Ų7620%0.19642%0.424CS..EExtended strand (participates in β ladder)trans-127.7115.9-172.1-66.80000111.4K140 V141 E185 G186K140-T188 HydrophobicContact CD-CG2 4.17Å; K140-T188 HydrophobicContact CG-CG2 3.91Å; V141-T188 CarbonylContact O-C 3.57Å; V141-T188 VanDerWaalsContact O-CA 3.28Å; V141-T188 WeakPolarHBondContact O-CA 3.3Å; E185-T188 WeakPolarHBondContact O-CA 3.31Å; E185-T188 WeakPolarHBondContact O-CB 3.44Å; E185-T188 PolarHBondContact O-N 2.95Å; E185-T188 VanDerWaalsContact O-O 3.1Å; G186-T188 VanDerWaalsContact C-N 3.29Å; G186-T188 PolarHBondContact O-N 2.84Å
189K90.3Very high77.6Confident72 Ų7273.4 Ų73.431%0.31341%0.414SS..EExtended strand (participates in β ladder)trans-103129.3167.4-159.474.9-164.1-170.10111.4K140 V141 L161 V175 L177 F191K140-K189 CarbonylContact C-O 3.52Å; K140-K189 WeakPolarHBondContact CA-O 3.39Å; V141-K189 PolarHBondContact N-O 2.85Å; V141-K189 PolarHBondContact O-N 3.19Å; L161-K189 HydrophobicContact CD2-CB 3.67Å; L161-K189 HydrophobicContact CD2-CG 4.42Å; V175-K189 HydrophobicContact CG1-CD 3.63Å; V175-K189 HydrophobicContact CG1-CG 4.09Å; L177-K189 HydrophobicContact CD1-CB 4.03Å; L177-K189 HydrophobicContact CD2-CB 3.98Å; L177-K189 HydrophobicContact CD2-CD 3.54Å; L177-K189 HydrophobicContact CD2-CG 4.35Å; L177-K189 HydrophobicContact CG-CB 4.24Å; L177-K189 HydrophobicContact CG-CD 4.35Å; K189-F191 HydrophobicContact CB-CE2 4.41Å; K189-F191 HydrophobicContact CG-CD2 4.5Å; K189-F191 HydrophobicContact CG-CE2 4.19Å; K189-F191 HydrophobicContact CG-CZ 4.35Å
190T91.3Very high78.6Confident62 Ų6273.4 Ų73.438%0.3841%0.413SS..EExtended strand (participates in β ladder)trans-103.9119.3164.4-52.10000109.3T192T190-T192 HydrophobicContact CG2-CG2 4.05Å
191F90.3Very high79.9Confident17 Ų1769.6 Ų69.68%0.07539%0.393CS..EExtended strand (participates in β ladder)trans-86.2129165.5-64.8-88.1000108.5T138 L139 V141 L161 L163 T173 V175 K189 L194 I202T138-F191 CarbonylContact C-O 3.43Å; T138-F191 WeakPolarHBondContact CA-O 3.47Å; T138-F191 WeakPolarHBondContact CB-O 3.33Å; L139-F191 HydrophobicContact CB-CB 4.49Å; L139-F191 PolarHBondContact N-O 3.39Å; L139-F191 PolarHBondContact O-N 2.91Å; V141-F191 HydrophobicContact CG2-CD2 4.1Å; V141-F191 HydrophobicContact CG2-CE2 3.81Å; L161-F191 HydrophobicContact CB-CZ 4.33Å; L161-F191 HydrophobicContact CD2-CE2 4.19Å; L161-F191 HydrophobicContact CD2-CZ 4.44Å; L163-F191 HydrophobicContact CB-CD1 4.37Å; L163-F191 HydrophobicContact CB-CE1 3.88Å; L163-F191 HydrophobicContact CB-CZ 3.96Å; L163-F191 HydrophobicContact CD2-CB 4.25Å; L163-F191 HydrophobicContact CD2-CD1 3.58Å; L163-F191 HydrophobicContact CD2-CE1 3.95Å; L163-F191 HydrophobicContact CD2-CG 3.88Å; T173-F191 HydrophobicContact CG2-CE1 4.48Å; V175-F191 HydrophobicContact CB-CE1 4.4Å; V175-F191 HydrophobicContact CB-CZ 4.38Å; V175-F191 HydrophobicContact CG2-CE1 3.61Å; V175-F191 HydrophobicContact CG2-CZ 4.06Å; K189-F191 HydrophobicContact CB-CE2 4.41Å; K189-F191 HydrophobicContact CG-CD2 4.5Å; K189-F191 HydrophobicContact CG-CE2 4.19Å; K189-F191 HydrophobicContact CG-CZ 4.35Å; F191-L194 HydrophobicContact CB-CD1 3.98Å; F191-L194 HydrophobicContact CB-CD2 4.41Å; F191-L194 HydrophobicContact CB-CG 4.35Å; F191-I202 HydrophobicContact CD2-CD1 4.19Å; F191-I202 HydrophobicContact CE2-CD1 3.95Å
192T89.9Confident81.8Confident103 Ų10360.8 Ų60.863%0.63235%0.352SS*.  trans-118.5166.3-178.856.90000110.9T138 T190 L194T138-T192 HydrophobicContact CG2-CG2 4.05Å; T190-T192 HydrophobicContact CG2-CG2 4.05Å; T192-L194 PolarHBondContact O-N 2.91Å
193G86.3Confident83.7Confident67 Ų6757.2 Ų57.269%0.69132%0.315SS*.SBendtrans69.520.9-179.700000113.9S137S137-G193 PolarHBondContact O-N 2.88Å
194L89.9Confident85.4Confident18 Ų1853.9 Ų53.99%0.09430%0.297CS..PPolyproline II helixtrans-75.8156176.1-57.1-174.1000110.7S137 L139 L163 F191 T192 Y200 L225S137-L194 PolarHBondContact O-N 2.91Å; L139-L194 HydrophobicContact CB-CD1 3.46Å; L139-L194 VanDerWaalsContact CB-CD1 3.46Å; L139-L194 HydrophobicContact CD2-CD1 4.45Å; L163-L194 HydrophobicContact CD2-CD2 3.95Å; F191-L194 HydrophobicContact CB-CD1 3.98Å; F191-L194 HydrophobicContact CB-CD2 4.41Å; F191-L194 HydrophobicContact CB-CG 4.35Å; T192-L194 PolarHBondContact O-N 2.91Å; L194-Y200 HydrophobicContact CB-CE2 4.08Å; L194-Y200 HydrophobicContact CD1-CD1 4.48Å; L194-Y200 HydrophobicContact CD1-CE1 4.41Å; L194-Y200 HydrophobicContact CD1-CE2 4.5Å; L194-Y200 HydrophobicContact CD2-CD1 4.47Å; L194-Y200 HydrophobicContact CD2-CE1 3.78Å; L194-Y200 HydrophobicContact CG-CE1 4.47Å; L194-L225 HydrophobicContact CB-CD2 3.5Å; L194-L225 VanDerWaalsContact CB-CD2 3.5Å; L194-L225 HydrophobicContact CD1-CD2 4Å; L194-L225 HydrophobicContact CG-CD2 4.41Å
195Q87.4Confident87.3Confident94 Ų9450.4 Ų50.444%0.43927%0.272SS..PPolyproline II helixtrans-89.9128-177.7-62.9-77.2-66.700109.3K198 Y200Q195-K198 HydrophobicContact CB-CD 3.82Å; Q195-K198 HydrophobicContact CB-CG 4.21Å; Q195-Y200 PolarHBondContact N-OH 3.41Å
196W87.5Confident88.8Confident132 Ų13243.7 Ų43.750%0.524%0.241SC..THydrogen-bonded Turntrans-62.1157.3175.664.288.6000111.7S136 K198 P226S136-W196 WeakPolarHBondContact O-CA 3.41Å; S136-W196 VanDerWaalsContact O-CB 3.27Å; S136-W196 WeakPolarHBondContact O-CB 3.28Å; S136-W196 PolarHBondContact O-N 2.87Å; W196-K198 PolarHBondContact O-N 3.1Å; W196-K198 VanDerWaalsContact O-N 3.12Å; W196-P226 WeakPolarHBondContact CB-O 3.39Å
197G86.9Confident90Very high37 Ų3748.4 Ų48.438%0.38126%0.259SS..THydrogen-bonded Turntrans67.67.2179.100000115L225G197-L225 WeakPolarHBondContact CA-O 3.3Å; G197-L225 PolarHBondContact N-O 3.18Å
198K89.6Confident90.5Very high95 Ų9545.5 Ų45.541%0.41325%0.248SC..  trans-106.1145.6175.9-60.2-166.2-170.2174.60111.7Q195 W196 Y200 L225Q195-K198 HydrophobicContact CB-CD 3.82Å; Q195-K198 HydrophobicContact CB-CG 4.21Å; W196-K198 PolarHBondContact O-N 3.1Å; W196-K198 VanDerWaalsContact O-N 3.12Å; K198-Y200 HydrophobicContact CB-CD2 4.24Å; K198-Y200 HydrophobicContact CB-CE2 3.73Å; K198-L225 PolarHBondContact O-N 3.15Å
199N92.2Very high90.4Very high59 Ų5946.2 Ų46.232%0.31625%0.25SS..EExtended strand (participates in β ladder)trans-89.9123.9175.1-17416.4000109.6A166 C222 Q223 L224A166-N199 HydrophobicContact CB-CB 3.87Å; A166-N199 WeakPolarHBondContact CB-O 3.3Å; A166-N199 PolarHBondContact N-O 2.76Å; N199-C222 WeakPolarHBondContact OD1-CB 3.32Å; N199-Q223 PolarHBondContact OD1-N 2.99Å; N199-Q223 PolarHBondContact OD1-O 2.87Å; N199-L224 HydrophobicContact CB-CD1 4.24Å
200Y92.9Very high89.6Confident16 Ų1646.8 Ų46.86%0.06328%0.277CS..EExtended strand (participates in β ladder)trans-115.6129.5-179.9-74.9-94.3000109.6L163 E164 V165 L194 Q195 K198 C222 Q223 L225L163-Y200 HydrophobicContact CD1-CD1 3.76Å; L163-Y200 HydrophobicContact CD1-CG 4.29Å; L163-Y200 HydrophobicContact CD2-CD1 4.29Å; L163-Y200 HydrophobicContact CG-CD1 4.14Å; E164-Y200 CarbonylContact O-C 3.57Å; E164-Y200 WeakPolarHBondContact O-CA 3.48Å; V165-Y200 HydrophobicContact CG2-CD1 3.99Å; V165-Y200 HydrophobicContact CG2-CE1 3.63Å; L194-Y200 HydrophobicContact CB-CE2 4.08Å; L194-Y200 HydrophobicContact CD1-CD1 4.48Å; L194-Y200 HydrophobicContact CD1-CE1 4.41Å; L194-Y200 HydrophobicContact CD1-CE2 4.5Å; L194-Y200 HydrophobicContact CD2-CD1 4.47Å; L194-Y200 HydrophobicContact CD2-CE1 3.78Å; L194-Y200 HydrophobicContact CG-CE1 4.47Å; Q195-Y200 PolarHBondContact N-OH 3.41Å; K198-Y200 HydrophobicContact CB-CD2 4.24Å; K198-Y200 HydrophobicContact CB-CE2 3.73Å; Y200-C222 CarbonylContact O-C 3.57Å; Y200-C222 WeakPolarHBondContact O-CA 3.16Å; Y200-Q223 PolarHBondContact N-O 2.86Å; Y200-Q223 PolarHBondContact O-N 3.25Å; Y200-L225 HydrophobicContact CD2-CD1 3.75Å; Y200-L225 HydrophobicContact CD2-CD2 4.1Å; Y200-L225 HydrophobicContact CD2-CG 4.43Å; Y200-L225 HydrophobicContact CE2-CD1 4.42Å; Y200-L225 HydrophobicContact CE2-CD2 3.93Å; Y200-L225 HydrophobicContact CG-CD1 4.5Å
201C93.5Very high88.5Confident13 Ų1345 Ų459%0.08827%0.271CS..EExtended strand (participates in β ladder)trans-105.2137.5178.5-610000109.9E164 K220 Q221 C222E164-C201 PolarHBondContact N-O 3.17Å; E164-C201 PolarHBondContact O-N 2.91Å; C201-K220 HydrophobicContact CB-CB 4.44Å; C201-Q221 WeakPolarHBondContact CA-O 3.43Å; C201-C222 HydrophobicContact CB-CB 4.08Å; C201-C222 WeakPolarHBondContact CB-SG 3.46Å; C201-C222 WeakPolarHBondContact SG-CB 3.35Å; C201-C222 CovalentContact SG-SG 2.04Å; C201-C222 PolarHBondContact SG-SG 3.02Å
202I94.1Very high87.5Confident0 Ų054.5 Ų54.50%031%0.312CS..EExtended strand (participates in β ladder)trans-123.7135.3177.5-64.2-171.5000109.7F130 L132 L139 V141 Y162 L163 F191 V204 K220 Q221F130-I202 HydrophobicContact CE2-CB 4.21Å; F130-I202 HydrophobicContact CE2-CG2 3.93Å; F130-I202 HydrophobicContact CZ-CG2 4.46Å; F130-I202 WeakPolarHBondContact CZ-O 3.11Å; L132-I202 HydrophobicContact CD1-CB 4.45Å; L132-I202 HydrophobicContact CD2-CB 4.27Å; L132-I202 HydrophobicContact CD2-CD1 3.88Å; L132-I202 HydrophobicContact CD2-CG1 4.48Å; L139-I202 HydrophobicContact CD2-CD1 3.54Å; L139-I202 HydrophobicContact CD2-CG1 4.12Å; L139-I202 HydrophobicContact CG-CD1 3.92Å; V141-I202 HydrophobicContact CG2-CD1 3.33Å; V141-I202 HydrophobicContact CG2-CG2 4.36Å; Y162-I202 VanDerWaalsContact O-CA 3.3Å; Y162-I202 WeakPolarHBondContact O-CA 3.45Å; L163-I202 HydrophobicContact CD1-CD1 3.84Å; L163-I202 HydrophobicContact CD1-CG1 3.64Å; F191-I202 HydrophobicContact CD2-CD1 4.19Å; F191-I202 HydrophobicContact CE2-CD1 3.95Å; I202-V204 HydrophobicContact CG2-CG2 4.17Å; I202-K220 WeakPolarHBondContact O-CA 3.49Å; I202-Q221 PolarHBondContact N-O 3.03Å; I202-Q221 PolarHBondContact O-N 2.62Å
203S94.5Very high87.2Confident5 Ų551.2 Ų51.24%0.03529%0.293CS..EExtended strand (participates in β ladder)trans-127.5157.1163.854.90000109.9Y162 V217 S218Y162-S203 PolarHBondContact N-O 3.43Å; Y162-S203 PolarHBondContact O-N 2.94Å; Y162-S203 VanDerWaalsContact O-N 3.15Å; S203-V217 WeakPolarHBondContact OG-CG1 3.49Å; S203-S218 VanDerWaalsContact CB-O 3.3Å; S203-S218 WeakPolarHBondContact CB-O 3.11Å
204V93.6Very high87.2Confident0 Ų054.7 Ų54.70%029%0.288CS..EExtended strand (participates in β ladder)trans-136135.7-172.3-167.20000109.2P128 F130 V143 M160 L161 I202 S218P128-V204 HydrophobicContact CG-CB 3.99Å; P128-V204 HydrophobicContact CG-CG1 3.57Å; F130-V204 HydrophobicContact CB-CG2 4.4Å; F130-V204 HydrophobicContact CD1-CB 4.34Å; F130-V204 HydrophobicContact CD1-CG2 3.71Å; F130-V204 HydrophobicContact CD2-CG2 4.17Å; F130-V204 HydrophobicContact CE1-CG2 3.97Å; F130-V204 HydrophobicContact CE2-CG2 4.36Å; F130-V204 HydrophobicContact CG-CG2 3.83Å; F130-V204 HydrophobicContact CZ-CG2 4.28Å; V143-V204 HydrophobicContact CG2-CG1 4.47Å; M160-V204 CarbonylContact O-C 3.56Å; M160-V204 VanDerWaalsContact O-CA 3.31Å; M160-V204 WeakPolarHBondContact O-CA 3.47Å; L161-V204 HydrophobicContact CD1-CG1 4.04Å; L161-V204 HydrophobicContact CG-CG1 4.33Å; L161-V204 HydrophobicContact CG-CG2 4.22Å; I202-V204 HydrophobicContact CG2-CG2 4.17Å; V204-S218 PolarHBondContact N-OG 3.44Å; V204-S218 VanDerWaalsContact O-CB 3.28Å; V204-S218 WeakPolarHBondContact O-CB 3.42Å; V204-S218 PolarHBondContact O-N 3.38Å; V204-S218 PolarHBondContact O-OG 2.05Å; V204-S218 VanDerWaalsContact O-OG 3.07Å
205E93.1Very high87.3Confident22 Ų2254.2 Ų54.210%0.10329%0.287CS..EExtended strand (participates in β ladder)trans-118.1156.216568.5178.5-164.500110Y159 M160 Y162 S215 V217Y159-E205 CarbonylContact C-O 3.6Å; Y159-E205 WeakPolarHBondContact CA-O 3.42Å; M160-E205 HydrophobicContact CB-CG 3.56Å; M160-E205 VanDerWaalsContact CE-OE1 3.24Å; M160-E205 WeakPolarHBondContact CE-OE1 3.4Å; M160-E205 PolarHBondContact N-O 3.23Å; M160-E205 PolarHBondContact O-N 2.87Å; Y162-E205 HydrophobicContact CE2-CB 4.46Å; Y162-E205 HydrophobicContact CE2-CG 3.92Å; Y162-E205 PolarHBondContact OH-OE1 2.68Å; Y162-E205 VanDerWaalsContact OH-OE1 3.09Å; Y162-E205 PolarHBondContact OH-OE2 3.12Å; E205-S215 WeakPolarHBondContact CA-OG 3.1Å; E205-V217 HydrophobicContact CB-CG2 4.33Å
206V91.4Very high87.6Confident1 Ų156 Ų561%0.00629%0.293CS..EExtended strand (participates in β ladder)trans-116.4138.2173.363.10000110L125 Q126 P128 V157 Y159 K214 S215L125-V206 HydrophobicContact CB-CG1 4.09Å; L125-V206 HydrophobicContact CD1-CG1 4.29Å; Q126-V206 WeakPolarHBondContact O-CG1 3.42Å; P128-V206 HydrophobicContact CG-CB 4.35Å; V157-V206 HydrophobicContact CB-CG2 3.82Å; V157-V206 HydrophobicContact CG1-CG2 4.33Å; V157-V206 HydrophobicContact CG2-CG2 4.12Å; Y159-V206 HydrophobicContact CD1-CB 3.76Å; Y159-V206 HydrophobicContact CD1-CG2 3.68Å; Y159-V206 HydrophobicContact CE1-CB 3.94Å; Y159-V206 HydrophobicContact CE1-CG2 3.55Å; V206-K214 CarbonylContact O-C 3.58Å; V206-K214 WeakPolarHBondContact O-CA 3.37Å; V206-S215 PolarHBondContact N-OG 3.19Å; V206-S215 PolarHBondContact O-N 3.12Å
207K90.4Very high87.8Confident110 Ų11053 Ų5348%0.47829%0.289SS..EExtended strand (participates in β ladder)trans-123.2135.5177.6-175.1-173.7173.5-167.70109.4V157 T158V157-K207 WeakPolarHBondContact CA-O 3.3Å; T158-K207 PolarHBondContact N-O 2.91Å; T158-K207 PolarHBondContact O-N 3.16Å
208A88.1Confident88.2Confident0 Ų051.6 Ų51.60%027%0.274CS..EExtended strand (participates in β ladder)trans-73.6133.8172.300000111.4L125 Y153 G211 T213L125-A208 HydrophobicContact CD1-CB 4.26Å; Y153-A208 HydrophobicContact CD1-CB 3.41Å; Y153-A208 VanDerWaalsContact CD1-CB 3.41Å; Y153-A208 HydrophobicContact CE1-CB 3.38Å; Y153-A208 HydrophobicContact CG-CB 4.06Å; A208-G211 PolarHBondContact O-N 3.07Å; A208-T213 PolarHBondContact N-O 3.12Å; A208-T213 VanDerWaalsContact N-O 3.1Å
209N84.8Confident88.4Confident47 Ų4752.4 Ų52.425%0.25129%0.289SS..THydrogen-bonded Turntrans-76.2136.8173.6-65.8-11.2000109.8F155 G156 T158 G211F155-N209 HydrophobicContact CB-CB 3.91Å; F155-N209 WeakPolarHBondContact O-CB 3.27Å; F155-N209 PolarHBondContact O-ND2 3.26Å; G156-N209 WeakPolarHBondContact O-CB 3.33Å; G156-N209 PolarHBondContact O-N 3.39Å; G156-N209 VanDerWaalsContact O-N 3.12Å; T158-N209 PolarHBondContact OG1-OD1 3.3Å; N209-G211 PolarHBondContact O-N 3.03Å
210G72.9Confident88.4Confident85 Ų8555.2 Ų55.288%0.87630%0.298SS*.THydrogen-bonded Turntrans69.11-172.500000115.4
211G69.9Low88.4Confident24 Ų2458.1 Ų58.125%0.24731%0.312CS..SBendtrans-114.1161.217800000113.4A208 N209A208-G211 PolarHBondContact O-N 3.07Å; N209-G211 PolarHBondContact O-N 3.03Å
212F69.3Low88.4Confident216 Ų21660.2 Ų60.295%0.94733%0.327SS*.SBendtrans-87.3-9169.7-61.5-72.6000113
213T82.1Confident88.3Confident35 Ų3563.8 Ų63.822%0.21534%0.343CS..  trans-71.1128.1-178.6-450000111.5N121 G123 L125 A208N121-T213 PolarHBondContact O-OG1 3.11Å; G123-T213 WeakPolarHBondContact O-CG2 3.36Å; L125-T213 HydrophobicContact CB-CG2 4.41Å; L125-T213 HydrophobicContact CD1-CG2 3.84Å; L125-T213 HydrophobicContact CG-CG2 3.77Å; A208-T213 PolarHBondContact N-O 3.12Å; A208-T213 VanDerWaalsContact N-O 3.1Å
214K87.9Confident88.2Confident139 Ų13968.4 Ų68.460%0.60437%0.367SS*.BIsolated β-bridgetrans-132.5148.817161.4177.1-177.1173.10109.3V206V206-K214 CarbonylContact O-C 3.58Å; V206-K214 WeakPolarHBondContact O-CA 3.37Å
215S91.5Very high88.1Confident8 Ų868.4 Ų68.46%0.05637%0.367CS..PPolyproline II helixtrans-72.3169.7173.473.80000111.7L125 Q126 E205 V206L125-S215 VanDerWaalsContact O-CA 3.3Å; L125-S215 WeakPolarHBondContact O-CA 3.22Å; L125-S215 VanDerWaalsContact O-CB 3.25Å; L125-S215 WeakPolarHBondContact O-CB 3.24Å; Q126-S215 WeakPolarHBondContact O-CB 3.29Å; E205-S215 WeakPolarHBondContact CA-OG 3.1Å; V206-S215 PolarHBondContact N-OG 3.19Å; V206-S215 PolarHBondContact O-N 3.12Å
216K92.4Very high87.8Confident131 Ų13170 Ų7057%0.5738%0.379SS*.PPolyproline II helixtrans-66156.6155.1-63.7178.5178.7104.30109.2E124 P127E124-K216 IonicContact OE1-NZ 3.71Å; E124-K216 PolarHBondContact OE1-NZ 3.19Å; E124-K216 IonicContact OE2-NZ 2.83Å; P127-K216 WeakPolarHBondContact CB-O 3.35Å; P127-K216 HydrophobicContact CG-CB 4.2Å; P127-K216 WeakPolarHBondContact CG-O 3.23Å
217V93.1Very high87.4Confident70 Ų7076 Ų7642%0.42441%0.407SS..PPolyproline II helixtrans-70.9135.7173.2-179.80000109.2Y162 S203 E205Y162-V217 HydrophobicContact CD2-CG1 4.31Å; Y162-V217 HydrophobicContact CE2-CG1 4.2Å; Y162-V217 HydrophobicContact CE2-CG2 4.11Å; S203-V217 WeakPolarHBondContact OG-CG1 3.49Å; E205-V217 HydrophobicContact CB-CG2 4.33Å
218S94.8Very high86.8Confident8 Ų874.8 Ų74.86%0.05640%0.403CS..PPolyproline II helixtrans-68.8156.8-179.969.10000112.7F130 S203 V204 K220F130-S218 VanDerWaalsContact CE1-OG 3.29Å; F130-S218 WeakPolarHBondContact CE1-OG 3.28Å; S203-S218 VanDerWaalsContact CB-O 3.3Å; S203-S218 WeakPolarHBondContact CB-O 3.11Å; V204-S218 PolarHBondContact N-OG 3.44Å; V204-S218 VanDerWaalsContact O-CB 3.28Å; V204-S218 WeakPolarHBondContact O-CB 3.42Å; V204-S218 PolarHBondContact O-N 3.38Å; V204-S218 PolarHBondContact O-OG 2.05Å; V204-S218 VanDerWaalsContact O-OG 3.07Å; S218-K220 PolarHBondContact O-N 3.37Å
219P93.1Very high86Confident112 Ų11281 Ų8173%0.72743%0.432SS*.PPolyproline II helixtrans-55.1137.1172.9-24.935000111.6Q221P219-Q221 PolarHBondContact O-N 3.05Å
220K92.3Very high85.4Confident117 Ų11786.2 Ų86.251%0.50945%0.453SS..PPolyproline II helixtrans-64.9117-180-67.3-178.2-180-173.70110.2E164 C201 I202 S218E164-K220 IonicContact OE1-NZ 3.56Å; E164-K220 PolarHBondContact OE1-NZ 3.36Å; E164-K220 WeakPolarHBondContact OE2-CE 3.45Å; E164-K220 IonicContact OE2-NZ 3.33Å; E164-K220 PolarHBondContact OE2-NZ 3.49Å; C201-K220 HydrophobicContact CB-CB 4.44Å; I202-K220 WeakPolarHBondContact O-CA 3.49Å; S218-K220 PolarHBondContact O-N 3.37Å
221Q93.8Very high85.4Confident77 Ų7790.3 Ų90.336%0.3644%0.443SS..EExtended strand (participates in β ladder)trans-96.1122.7169.1-169.1178.61.800108.7F130 L132 C201 I202 P219F130-Q221 HydrophobicContact CE2-CB 3.76Å; F130-Q221 HydrophobicContact CZ-CB 3.6Å; L132-Q221 HydrophobicContact CD1-CB 4.02Å; L132-Q221 HydrophobicContact CD1-CG 3.86Å; L132-Q221 WeakPolarHBondContact CD1-O 3.47Å; L132-Q221 HydrophobicContact CG-CG 4.36Å; C201-Q221 WeakPolarHBondContact CA-O 3.43Å; I202-Q221 PolarHBondContact N-O 3.03Å; I202-Q221 PolarHBondContact O-N 2.62Å; P219-Q221 PolarHBondContact O-N 3.05Å
222C92.9Very high85.7Confident58 Ų5893.4 Ų93.439%0.39245%0.453SS..EExtended strand (participates in β ladder)trans-109.6139.5-176.7-52.90000111.6N199 Y200 C201N199-C222 WeakPolarHBondContact OD1-CB 3.32Å; Y200-C222 CarbonylContact O-C 3.57Å; Y200-C222 WeakPolarHBondContact O-CA 3.16Å; C201-C222 HydrophobicContact CB-CB 4.08Å; C201-C222 WeakPolarHBondContact CB-SG 3.46Å; C201-C222 WeakPolarHBondContact SG-CB 3.35Å; C201-C222 CovalentContact SG-SG 2.04Å; C201-C222 PolarHBondContact SG-SG 3.02Å
223Q93.1Very high86.3Confident74 Ų7487.9 Ų87.935%0.34643%0.432SS..EExtended strand (participates in β ladder)trans-134.4125.9179.7-173.160.555.600110.2L132 A134 L139 N199 Y200L132-Q223 HydrophobicContact CD1-CB 4.14Å; A134-Q223 HydrophobicContact CB-CG 3.65Å; L139-Q223 HydrophobicContact CD1-CB 4.4Å; N199-Q223 PolarHBondContact OD1-N 2.99Å; N199-Q223 PolarHBondContact OD1-O 2.87Å; Y200-Q223 PolarHBondContact N-O 2.86Å; Y200-Q223 PolarHBondContact O-N 3.25Å
224L92.3Very high86.4Confident102 Ų10288.8 Ų88.853%0.53444%0.443SS..EExtended strand (participates in β ladder)trans-73.3127.1168.4-175.566000109.1N199N199-L224 HydrophobicContact CB-CD1 4.24Å
225L91.3Very high86.5Confident1 Ų185.2 Ų85.21%0.00543%0.433CS..PPolyproline II helixtrans-77.9128.4171-88.957.1000109.2A134 T135 L194 G197 K198 Y200A134-L225 HydrophobicContact CB-CD1 3.94Å; A134-L225 HydrophobicContact CB-CG 4.21Å; T135-L225 WeakPolarHBondContact O-CG 3.48Å; L194-L225 HydrophobicContact CB-CD2 3.5Å; L194-L225 VanDerWaalsContact CB-CD2 3.5Å; L194-L225 HydrophobicContact CD1-CD2 4Å; L194-L225 HydrophobicContact CG-CD2 4.41Å; G197-L225 WeakPolarHBondContact CA-O 3.3Å; G197-L225 PolarHBondContact N-O 3.18Å; K198-L225 PolarHBondContact O-N 3.15Å; Y200-L225 HydrophobicContact CD2-CD1 3.75Å; Y200-L225 HydrophobicContact CD2-CD2 4.1Å; Y200-L225 HydrophobicContact CD2-CG 4.43Å; Y200-L225 HydrophobicContact CE2-CD1 4.42Å; Y200-L225 HydrophobicContact CE2-CD2 3.93Å; Y200-L225 HydrophobicContact CG-CD1 4.5Å
226P86.7Confident86.4Confident54 Ų5488.3 Ų88.335%0.35145%0.452SS..PPolyproline II helixtrans-62.3156.1177.727.8-35.2000111S136 W196S136-P226 WeakPolarHBondContact CA-O 3.32Å; W196-P226 WeakPolarHBondContact CB-O 3.39Å
227E83.3Confident86.4Confident129 Ų12984.6 Ų84.660%0.60344%0.442SS*.PPolyproline II helixtrans-67.2159.5169.9-61.9-169.3163.100110.8E229E227-E229 PolarHBondContact O-N 2.87Å
228Q77.7Confident86.5Confident84 Ų8486.6 Ų86.639%0.39345%0.45SS..  trans-74.290.5-175.5-172.3170.2-2.600110.9F230 Y231Q228-F230 HydrophobicContact CG-CB 4.31Å; Q228-F230 PolarHBondContact O-N 3.09Å; Q228-F230 VanDerWaalsContact O-N 3.08Å; Q228-Y231 VanDerWaalsContact O-CB 3.3Å; Q228-Y231 WeakPolarHBondContact O-CB 3.3Å; Q228-Y231 PolarHBondContact O-N 3.14Å
229E71.4Confident86.4Confident130 Ų13089.1 Ų89.161%0.60747%0.467SS*.Hα-helixtrans-51.3-35.2-178.8-62.4-178.5170.400113.1E227 Y231 I232 I233E227-E229 PolarHBondContact O-N 2.87Å; E229-Y231 PolarHBondContact O-N 2.81Å; E229-I232 PolarHBondContact O-N 2.82Å; E229-I232 VanDerWaalsContact O-N 3.08Å; E229-I233 WeakPolarHBondContact O-CG1 3.36Å; E229-I233 PolarHBondContact O-N 2.76Å
230F70.8Confident86.6Confident157 Ų15789 Ų8969%0.68946%0.46SS*.Hα-helixtrans-56.7-32.8173.5-75.7-80.3000114Q228 A234Q228-F230 HydrophobicContact CG-CB 4.31Å; Q228-F230 PolarHBondContact O-N 3.09Å; Q228-F230 VanDerWaalsContact O-N 3.08Å; F230-A234 WeakPolarHBondContact O-CB 3.49Å; F230-A234 PolarHBondContact O-N 2.87Å
231Y74Confident86.7Confident170 Ų17088.8 Ų88.867%0.66746%0.464SS*.Hα-helixtrans-67.5-44.5175.2-177.4-99000110.7Q228 E229 I233 A234 V235Q228-Y231 VanDerWaalsContact O-CB 3.3Å; Q228-Y231 WeakPolarHBondContact O-CB 3.3Å; Q228-Y231 PolarHBondContact O-N 3.14Å; E229-Y231 PolarHBondContact O-N 2.81Å; Y231-I233 PolarHBondContact O-N 3.3Å; Y231-A234 PolarHBondContact O-N 2.77Å; Y231-V235 HydrophobicContact CD1-CG2 4.28Å; Y231-V235 HydrophobicContact CD2-CG2 4.48Å; Y231-V235 HydrophobicContact CE1-CG2 3.92Å; Y231-V235 HydrophobicContact CE2-CG2 4.14Å; Y231-V235 WeakPolarHBondContact O-CB 3.27Å; Y231-V235 VanDerWaalsContact O-CG2 3.3Å; Y231-V235 WeakPolarHBondContact O-CG2 3.33Å; Y231-V235 PolarHBondContact O-N 2.87Å
232I76.9Confident86.9Confident90 Ų9089.2 Ų89.246%0.46247%0.472SS..Hα-helixtrans-63.3-44.2177.3-54.9176.6000110.1E229 T236E229-I232 PolarHBondContact O-N 2.82Å; E229-I232 VanDerWaalsContact O-N 3.08Å; I232-T236 WeakPolarHBondContact O-CB 3.39Å; I232-T236 WeakPolarHBondContact O-CG2 3.36Å; I232-T236 PolarHBondContact O-N 2.8Å; I232-T236 PolarHBondContact O-OG1 2.93Å
233I81.6Confident87Confident99 Ų9991.3 Ų91.351%0.50848%0.478SS..Hα-helixtrans-66.8-40.3178-64.6165.3000111.1E229 Y231 T236 S237E229-I233 WeakPolarHBondContact O-CG1 3.36Å; E229-I233 PolarHBondContact O-N 2.76Å; Y231-I233 PolarHBondContact O-N 3.3Å; I233-T236 WeakPolarHBondContact CA-OG1 3.32Å; I233-T236 PolarHBondContact O-OG1 2.98Å; I233-S237 VanDerWaalsContact O-CB 3.25Å; I233-S237 WeakPolarHBondContact O-CB 3.5Å; I233-S237 PolarHBondContact O-N 3.27Å; I233-S237 PolarHBondContact O-OG 3.18Å
234A84Confident87.2Confident54 Ų5493.2 Ų93.245%0.44649%0.49SS..Hα-helixtrans-66.6-45.4177.400000111.9F230 Y231 S237 L238F230-A234 WeakPolarHBondContact O-CB 3.49Å; F230-A234 PolarHBondContact O-N 2.87Å; Y231-A234 PolarHBondContact O-N 2.77Å; A234-S237 WeakPolarHBondContact CA-OG 3.44Å; A234-S237 PolarHBondContact O-OG 3.25Å; A234-S237 VanDerWaalsContact O-OG 3.13Å; A234-L238 VanDerWaalsContact O-CB 3.24Å; A234-L238 WeakPolarHBondContact O-CB 3.13Å; A234-L238 PolarHBondContact O-N 3.03Å
235V89.3Confident87.4Confident65 Ų6590.9 Ų90.939%0.39449%0.485SS..Hα-helixtrans-65.3-42.1178.5171.30000111.5Y231 S239Y231-V235 HydrophobicContact CD1-CG2 4.28Å; Y231-V235 HydrophobicContact CD2-CG2 4.48Å; Y231-V235 HydrophobicContact CE1-CG2 3.92Å; Y231-V235 HydrophobicContact CE2-CG2 4.14Å; Y231-V235 WeakPolarHBondContact O-CB 3.27Å; Y231-V235 VanDerWaalsContact O-CG2 3.3Å; Y231-V235 WeakPolarHBondContact O-CG2 3.33Å; Y231-V235 PolarHBondContact O-N 2.87Å; V235-S239 WeakPolarHBondContact O-CB 3.17Å; V235-S239 PolarHBondContact O-N 2.84Å; V235-S239 PolarHBondContact O-OG 3.27Å
236T90.3Very high87.6Confident72 Ų7295.3 Ų95.344%0.44251%0.512SS..Hα-helixtrans-70.2-43.3178.551.20000112.2I232 I233 S239 L240I232-T236 WeakPolarHBondContact O-CB 3.39Å; I232-T236 WeakPolarHBondContact O-CG2 3.36Å; I232-T236 PolarHBondContact O-N 2.8Å; I232-T236 PolarHBondContact O-OG1 2.93Å; I233-T236 WeakPolarHBondContact CA-OG1 3.32Å; I233-T236 PolarHBondContact O-OG1 2.98Å; T236-S239 PolarHBondContact O-N 2.94Å; T236-L240 WeakPolarHBondContact O-CG 3.32Å; T236-L240 PolarHBondContact O-N 3.04Å
237S91.9Very high88Confident54 Ų5496.2 Ų96.238%0.37852%0.517SS..Hα-helixtrans-65.2-41.4175.857.10000112.8I233 A234 S239 L240 L241I233-S237 VanDerWaalsContact O-CB 3.25Å; I233-S237 WeakPolarHBondContact O-CB 3.5Å; I233-S237 PolarHBondContact O-N 3.27Å; I233-S237 PolarHBondContact O-OG 3.18Å; A234-S237 WeakPolarHBondContact CA-OG 3.44Å; A234-S237 PolarHBondContact O-OG 3.25Å; A234-S237 VanDerWaalsContact O-OG 3.13Å; S237-S239 VanDerWaalsContact C-N 3.34Å; S237-S239 PolarHBondContact O-N 2.94Å; S237-L240 PolarHBondContact O-N 2.83Å; S237-L241 WeakPolarHBondContact O-CG 3.25Å; S237-L241 PolarHBondContact O-N 3.27Å
238L94.3Very high88.6Confident112 Ų11292.5 Ų92.559%0.58651%0.508SS*.Hα-helixtrans-61.3-43.1173.2-174.865.7000111.5A234 L240 L241 V242A234-L238 VanDerWaalsContact O-CB 3.24Å; A234-L238 WeakPolarHBondContact O-CB 3.13Å; A234-L238 PolarHBondContact O-N 3.03Å; L238-L240 PolarHBondContact O-N 3.29Å; L238-L241 PolarHBondContact O-N 2.93Å; L238-V242 WeakPolarHBondContact O-CG2 3.35Å; L238-V242 PolarHBondContact O-N 2.93Å
239S94.5Very high89.4Confident60 Ų6092.7 Ų92.742%0.4252%0.515SS..Hα-helixtrans-61.8-42.8176.8-59.40000111.9V235 T236 S237 V242 I243V235-S239 WeakPolarHBondContact O-CB 3.17Å; V235-S239 PolarHBondContact O-N 2.84Å; V235-S239 PolarHBondContact O-OG 3.27Å; T236-S239 PolarHBondContact O-N 2.94Å; S237-S239 VanDerWaalsContact C-N 3.34Å; S237-S239 PolarHBondContact O-N 2.94Å; S239-V242 PolarHBondContact O-N 3.31Å; S239-I243 WeakPolarHBondContact O-CD1 3.43Å; S239-I243 VanDerWaalsContact O-CG1 3.29Å; S239-I243 WeakPolarHBondContact O-CG1 3.34Å; S239-I243 PolarHBondContact O-N 3.12Å
240L95.6Very high90.5Very high109 Ų10989.1 Ų89.157%0.57151%0.507SS*.Hα-helixtrans-63.9-39.4175.3-72.9168.5000112.5T236 S237 L238 I243 L244T236-L240 WeakPolarHBondContact O-CG 3.32Å; T236-L240 PolarHBondContact O-N 3.04Å; S237-L240 PolarHBondContact O-N 2.83Å; L238-L240 PolarHBondContact O-N 3.29Å; L240-I243 PolarHBondContact O-N 3.05Å; L240-L244 WeakPolarHBondContact O-CB 3.29Å; L240-L244 PolarHBondContact O-N 2.86Å
241L95.9Very high91.5Very high114 Ų11485.8 Ų85.860%0.59750%0.496SS*.Hα-helixtrans-64.2-41.7175.1-73.5171.5000112.1S237 L238 L244 A245S237-L241 WeakPolarHBondContact O-CG 3.25Å; S237-L241 PolarHBondContact O-N 3.27Å; L238-L241 PolarHBondContact O-N 2.93Å; L241-L244 PolarHBondContact O-N 2.97Å; L241-A245 WeakPolarHBondContact O-CB 3.3Å; L241-A245 PolarHBondContact O-N 2.74Å
242V96.4Very high92.3Very high85 Ų8581.3 Ų81.352%0.51549%0.489SS..Hα-helixtrans-62.5-44.4174.9171.80000110.9L238 S239 A245 V246L238-V242 WeakPolarHBondContact O-CG2 3.35Å; L238-V242 PolarHBondContact O-N 2.93Å; S239-V242 PolarHBondContact O-N 3.31Å; V242-A245 PolarHBondContact O-N 3.08Å; V242-V246 WeakPolarHBondContact O-CG2 3.43Å; V242-V246 PolarHBondContact O-N 3.49Å
243I96.6Very high93Very high102 Ų10281.2 Ų81.252%0.52349%0.488SS..Hα-helixtrans-61.7-45.7176.9-67.4162.8000110.9S239 L240 A245 V246 V247S239-I243 WeakPolarHBondContact O-CD1 3.43Å; S239-I243 VanDerWaalsContact O-CG1 3.29Å; S239-I243 WeakPolarHBondContact O-CG1 3.34Å; S239-I243 PolarHBondContact O-N 3.12Å; L240-I243 PolarHBondContact O-N 3.05Å; I243-A245 VanDerWaalsContact C-N 3.33Å; I243-A245 PolarHBondContact O-N 2.89Å; I243-V246 PolarHBondContact O-N 2.9Å; I243-V247 HydrophobicContact CG2-CG2 4.49Å; I243-V247 WeakPolarHBondContact O-CG2 3.45Å; I243-V247 PolarHBondContact O-N 2.69Å
244L96.1Very high93.4Very high114 Ų11481.2 Ų81.260%0.59749%0.488SS*.Hα-helixtrans-59.8-41175.7-91.8160000112.5L240 L241 V247 A248L240-L244 WeakPolarHBondContact O-CB 3.29Å; L240-L244 PolarHBondContact O-N 2.86Å; L241-L244 PolarHBondContact O-N 2.97Å; L244-V247 PolarHBondContact O-N 2.91Å; L244-A248 WeakPolarHBondContact O-CB 3.46Å; L244-A248 PolarHBondContact O-N 3.32Å
245A96.1Very high93.4Very high53 Ų5383.2 Ų83.244%0.43849%0.491SS..Hα-helixtrans-64.4-43.8175.900000112L241 V242 I243 A248 V249L241-A245 WeakPolarHBondContact O-CB 3.3Å; L241-A245 PolarHBondContact O-N 2.74Å; V242-A245 PolarHBondContact O-N 3.08Å; I243-A245 VanDerWaalsContact C-N 3.33Å; I243-A245 PolarHBondContact O-N 2.89Å; A245-A248 PolarHBondContact O-N 2.83Å; A245-V249 WeakPolarHBondContact O-CG2 3.3Å; A245-V249 PolarHBondContact O-N 3.08Å
246V95.9Very high93.3Very high94 Ų9485.5 Ų85.557%0.5751%0.505SS*.Hα-helixtrans-62.1-43.4175.7171.60000111.3V242 I243 V249 A250V242-V246 WeakPolarHBondContact O-CG2 3.43Å; V242-V246 PolarHBondContact O-N 3.49Å; I243-V246 PolarHBondContact O-N 2.9Å; V246-V249 PolarHBondContact O-N 2.92Å; V246-A250 WeakPolarHBondContact O-CB 3.36Å; V246-A250 PolarHBondContact O-N 3.13Å
247V96Very high92.8Very high74 Ų7491 Ų9145%0.44852%0.519SS..Hα-helixtrans-63.3-43.3175.81710000111.2I243 L244 V249 A250 I251I243-V247 HydrophobicContact CG2-CG2 4.49Å; I243-V247 WeakPolarHBondContact O-CG2 3.45Å; I243-V247 PolarHBondContact O-N 2.69Å; L244-V247 PolarHBondContact O-N 2.91Å; V247-V249 PolarHBondContact O-N 3.15Å; V247-A250 PolarHBondContact O-N 2.94Å; V247-I251 HydrophobicContact CG1-CD1 3.81Å; V247-I251 HydrophobicContact CG1-CG1 4.48Å; V247-I251 VanDerWaalsContact O-CG1 3.3Å; V247-I251 WeakPolarHBondContact O-CG1 3.38Å; V247-I251 PolarHBondContact O-N 2.9Å
248A95Very high92.2Very high51 Ų5194.3 Ų94.342%0.42153%0.532SS..Hα-helixtrans-62.2-42.7176.200000112.1L244 A245 I251 C252L244-A248 WeakPolarHBondContact O-CB 3.46Å; L244-A248 PolarHBondContact O-N 3.32Å; A245-A248 PolarHBondContact O-N 2.83Å; A248-I251 PolarHBondContact O-N 3.34Å; A248-C252 WeakPolarHBondContact O-CB 3.41Å; A248-C252 PolarHBondContact O-N 2.84Å; A248-C252 PolarHBondContact O-SG 2.88Å; A248-C252 VanDerWaalsContact O-SG 3.32Å
249V94.8Very high91.2Very high88 Ų8899.4 Ų99.453%0.53354%0.543SS..Hα-helixtrans-62.9-43.9174.61700000111.2A245 V246 V247 I251 C252 I253A245-V249 WeakPolarHBondContact O-CG2 3.3Å; A245-V249 PolarHBondContact O-N 3.08Å; V246-V249 PolarHBondContact O-N 2.92Å; V247-V249 PolarHBondContact O-N 3.15Å; V249-I251 VanDerWaalsContact C-N 3.35Å; V249-I251 PolarHBondContact O-N 3.5Å; V249-C252 PolarHBondContact O-N 3.24Å; V249-I253 HydrophobicContact CG1-CD1 3.73Å; V249-I253 HydrophobicContact CG1-CG1 4.39Å; V249-I253 WeakPolarHBondContact O-CB 3.24Å; V249-I253 VanDerWaalsContact O-CG1 3.28Å; V249-I253 WeakPolarHBondContact O-CG1 3.24Å; V249-I253 PolarHBondContact O-N 3.27Å
250A93.6Very high89.7Confident54 Ų54106.9 Ų106.945%0.44656%0.562SS.*Hα-helixtrans-61.6-40.7176.100000112.4V246 V247 I253 L254V246-A250 WeakPolarHBondContact O-CB 3.36Å; V246-A250 PolarHBondContact O-N 3.13Å; V247-A250 PolarHBondContact O-N 2.94Å; A250-I253 PolarHBondContact O-N 2.69Å; A250-L254 WeakPolarHBondContact O-CB 3.34Å; A250-L254 PolarHBondContact O-N 3.01Å
251I93.7Very high87.9Confident88 Ų88107.5 Ų107.545%0.45157%0.573SS.*Hα-helixtrans-64.8-44.6173.9-68.6165.7000110.7V247 A248 V249 I253 L254 L255V247-I251 HydrophobicContact CG1-CD1 3.81Å; V247-I251 HydrophobicContact CG1-CG1 4.48Å; V247-I251 VanDerWaalsContact O-CG1 3.3Å; V247-I251 WeakPolarHBondContact O-CG1 3.38Å; V247-I251 PolarHBondContact O-N 2.9Å; A248-I251 PolarHBondContact O-N 3.34Å; V249-I251 VanDerWaalsContact C-N 3.35Å; V249-I251 PolarHBondContact O-N 3.5Å; I251-I253 PolarHBondContact O-N 3.34Å; I251-L254 PolarHBondContact O-N 3.35Å; I251-L255 HydrophobicContact CG2-CD1 3.92Å; I251-L255 HydrophobicContact CG2-CG 4.28Å; I251-L255 WeakPolarHBondContact O-CB 3.27Å; I251-L255 VanDerWaalsContact O-CG 3.27Å; I251-L255 WeakPolarHBondContact O-CG 3.37Å; I251-L255 PolarHBondContact O-N 3.49Å
252C90.7Very high86.2Confident76 Ų76106.5 Ų106.551%0.51458%0.581SS.*Hα-helixtrans-59.8-44.5175.9-75.10000112.1A248 V249 L255 V256A248-C252 WeakPolarHBondContact O-CB 3.41Å; A248-C252 PolarHBondContact O-N 2.84Å; A248-C252 PolarHBondContact O-SG 2.88Å; A248-C252 VanDerWaalsContact O-SG 3.32Å; V249-C252 PolarHBondContact O-N 3.24Å; C252-L255 PolarHBondContact O-N 3.43Å; C252-V256 WeakPolarHBondContact O-CG2 3.23Å; C252-V256 PolarHBondContact O-N 2.93Å
253I90.4Very high84.2Confident87 Ų87112.2 Ų112.245%0.44660%0.599SS.*Hα-helixtrans-60.8-47.1175.1-70.8167.9000110.3V249 A250 I251 L255 V256 Y257V249-I253 HydrophobicContact CG1-CD1 3.73Å; V249-I253 HydrophobicContact CG1-CG1 4.39Å; V249-I253 WeakPolarHBondContact O-CB 3.24Å; V249-I253 VanDerWaalsContact O-CG1 3.28Å; V249-I253 WeakPolarHBondContact O-CG1 3.24Å; V249-I253 PolarHBondContact O-N 3.27Å; A250-I253 PolarHBondContact O-N 2.69Å; I251-I253 PolarHBondContact O-N 3.34Å; I253-L255 VanDerWaalsContact C-N 3.35Å; I253-L255 PolarHBondContact O-N 2.98Å; I253-V256 PolarHBondContact O-N 2.91Å; I253-Y257 HydrophobicContact CG2-CD2 3.66Å; I253-Y257 HydrophobicContact CG2-CE2 3.46Å; I253-Y257 VanDerWaalsContact CG2-CE2 3.46Å; I253-Y257 VanDerWaalsContact O-CD2 3.23Å; I253-Y257 WeakPolarHBondContact O-CD2 3.47Å; I253-Y257 PolarHBondContact O-N 3.45Å
254L89.4Confident82.3Confident99 Ų99113 Ų11352%0.51861%0.608SS.*Hα-helixtrans-60.2-42.6176.6-17863.6000111.9A250 I251 V256 Y257 L258A250-L254 WeakPolarHBondContact O-CB 3.34Å; A250-L254 PolarHBondContact O-N 3.01Å; I251-L254 PolarHBondContact O-N 3.35Å; L254-V256 VanDerWaalsContact C-N 3.34Å; L254-V256 PolarHBondContact O-N 3.46Å; L254-Y257 PolarHBondContact O-N 2.91Å; L254-L258 HydrophobicContact CD1-CD1 4.05Å; L254-L258 HydrophobicContact CD1-CG 4.12Å; L254-L258 HydrophobicContact CD2-CD1 4.46Å; L254-L258 HydrophobicContact CG-CD1 3.83Å; L254-L258 HydrophobicContact CG-CG 4.3Å; L254-L258 WeakPolarHBondContact O-CB 3.28Å; L254-L258 VanDerWaalsContact O-CG 3.24Å; L254-L258 WeakPolarHBondContact O-CG 3.35Å; L254-L258 PolarHBondContact O-N 3.29Å
255L85.9Confident80.4Confident97 Ų97112.3 Ų112.351%0.50861%0.611SS.*Hα-helixtrans-64.3-35.5176-72.1171.9000112.6I251 C252 I253 R259I251-L255 HydrophobicContact CG2-CD1 3.92Å; I251-L255 HydrophobicContact CG2-CG 4.28Å; I251-L255 WeakPolarHBondContact O-CB 3.27Å; I251-L255 VanDerWaalsContact O-CG 3.27Å; I251-L255 WeakPolarHBondContact O-CG 3.37Å; I251-L255 PolarHBondContact O-N 3.49Å; C252-L255 PolarHBondContact O-N 3.43Å; I253-L255 VanDerWaalsContact C-N 3.35Å; I253-L255 PolarHBondContact O-N 2.98Å; L255-R259 WeakPolarHBondContact O-CB 3.44Å; L255-R259 WeakPolarHBondContact O-CG 3.47Å; L255-R259 PolarHBondContact O-N 2.9Å
256V85.8Confident78.5Confident112 Ų112115.7 Ų115.768%0.67963%0.626SS**Hα-helixtrans-66.3-46.2173.3169.30000110.9C252 I253 L254 R259C252-V256 WeakPolarHBondContact O-CG2 3.23Å; C252-V256 PolarHBondContact O-N 2.93Å; I253-V256 PolarHBondContact O-N 2.91Å; L254-V256 VanDerWaalsContact C-N 3.34Å; L254-V256 PolarHBondContact O-N 3.46Å; V256-R259 PolarHBondContact O-N 3.27Å
257Y80.6Confident76.7Confident187 Ų187115.6 Ų115.673%0.73364%0.635SS**Hα-helixtrans-63.1-43.2175.7-79.4-65.3000112.6I253 L254 R259I253-Y257 HydrophobicContact CG2-CD2 3.66Å; I253-Y257 HydrophobicContact CG2-CE2 3.46Å; I253-Y257 VanDerWaalsContact CG2-CE2 3.46Å; I253-Y257 VanDerWaalsContact O-CD2 3.23Å; I253-Y257 WeakPolarHBondContact O-CD2 3.47Å; I253-Y257 PolarHBondContact O-N 3.45Å; L254-Y257 PolarHBondContact O-N 2.91Å; Y257-R259 VanDerWaalsContact C-N 3.33Å; Y257-R259 PolarHBondContact O-N 2.97Å
258L79.7Confident74.6Confident124 Ų124119.8 Ų119.865%0.64965%0.654SS**Hα-helixtrans-70.1-25.3-179.7-70.9175.8000113.4L254 R260L254-L258 HydrophobicContact CD1-CD1 4.05Å; L254-L258 HydrophobicContact CD1-CG 4.12Å; L254-L258 HydrophobicContact CD2-CD1 4.46Å; L254-L258 HydrophobicContact CG-CD1 3.83Å; L254-L258 HydrophobicContact CG-CG 4.3Å; L254-L258 WeakPolarHBondContact O-CB 3.28Å; L254-L258 VanDerWaalsContact O-CG 3.24Å; L254-L258 WeakPolarHBondContact O-CG 3.35Å; L254-L258 PolarHBondContact O-N 3.29Å; L258-R260 PolarHBondContact O-N 3.37Å
259R71.8Confident72.2Confident220 Ų220125.8 Ų125.883%0.8367%0.671SS**THydrogen-bonded Turntrans-69.4-15.6179.5-91.2-171.9171.1-173.5-0.9115L255 V256 Y257L255-R259 WeakPolarHBondContact O-CB 3.44Å; L255-R259 WeakPolarHBondContact O-CG 3.47Å; L255-R259 PolarHBondContact O-N 2.9Å; V256-R259 PolarHBondContact O-N 3.27Å; Y257-R259 VanDerWaalsContact C-N 3.33Å; Y257-R259 PolarHBondContact O-N 2.97Å
260R63.5Low70.1Confident216 Ų216126.9 Ų126.982%0.81568%0.682SS**  trans57.5154.5-177.6-78.1-164.9-178.3-152.52.4115L258 A262L258-R260 PolarHBondContact O-N 3.37Å; R260-A262 PolarHBondContact O-N 3.43Å
261P57.5Low67.9Low123 Ų123130.1 Ų130.180%0.79970%0.699SS**PPolyproline II helixtrans-63.8138.3177.426-34.7000111
262A61.1Low65.7Low92 Ų92132.6 Ų132.676%0.7672%0.718SS**PPolyproline II helixtrans-56.3145.6166.700000109.7R260 T264R260-A262 PolarHBondContact O-N 3.43Å; A262-T264 PolarHBondContact O-N 3.27Å
263K54.8Low63.5Low205 Ų205133.8 Ų133.889%0.89173%0.726SS**PPolyproline II helixtrans-48.6124.2179.8-63.4174.5-178.6175.80109.6
264T55.4Low61.4Low118 Ų118133.3 Ų133.372%0.72474%0.744SS**PPolyproline II helixtrans-57.4134.9173.742.20000109.2A262A262-T264 PolarHBondContact O-N 3.27Å
265P56.1Low59.1Low101 Ų101139.3 Ų139.366%0.65676%0.759SS**PPolyproline II helixtrans-62144.717625.5-32.9000109.8A267P265-A267 PolarHBondContact O-N 2.94Å
266V55.9Low57.2Low123 Ų123143.5 Ų143.575%0.74578%0.776SS**G310 helixtrans-61.4-10.1-170.71790000113.7L268 K269V266-L268 PolarHBondContact O-N 3.39Å; V266-L268 VanDerWaalsContact O-N 3.08Å; V266-K269 PolarHBondContact O-N 2.93Å; V266-K269 VanDerWaalsContact O-N 3.12Å
267A58.1Low55.3Low93 Ų93143.7 Ų143.777%0.76978%0.78SS**G310 helixtrans-62.4-9.417900000116P265P265-A267 PolarHBondContact O-N 2.94Å
268L52.2Low53.3Low161 Ų161142.6 Ų142.684%0.84379%0.786SS**G310 helixtrans-109.722.1173.7-74.7170.8000113.9V266 S270V266-L268 PolarHBondContact O-N 3.39Å; V266-L268 VanDerWaalsContact O-N 3.08Å; L268-S270 PolarHBondContact O-N 3.39Å
269K44.4Very low51.4Low178 Ų178142 Ų14277%0.77479%0.792SS**  trans-72.8108156.9-111.7-178.6175.8-177.50108V266V266-K269 PolarHBondContact O-N 2.93Å; V266-K269 VanDerWaalsContact O-N 3.12Å
270S52.3Low50.1Low110 Ų110137.4 Ų137.477%0.76979%0.788SS**PPolyproline II helixtrans-55.2127.1170.445.30000109.5L268L268-S270 PolarHBondContact O-N 3.39Å
271P47.3Very low49.1Very low123 Ų123133.1 Ų133.180%0.79979%0.786SS**PPolyproline II helixtrans-64.5144.417326.8-32.4000109.5S273P271-S273 PolarHBondContact O-N 3.03Å
272V47.1Very low48.9Very low140 Ų140137.1 Ų137.185%0.84879%0.794SS**PPolyproline II helixtrans-46.3129.5178.2175.80000110.4G274V272-G274 VanDerWaalsContact C-N 3.29Å; V272-G274 PolarHBondContact O-N 2.99Å
273S45.1Very low48Very low100 Ų100135.6 Ų135.670%0.69979%0.787SS**  trans-67.687.1173.955.50000110.1P271 W275P271-S273 PolarHBondContact O-N 3.03Å; S273-W275 PolarHBondContact O-N 3.36Å
274G45.8Very low47.6Very low78 Ų78130.7 Ų130.780%0.80478%0.779SS**  trans-70.268166.600000110.9V272V272-G274 VanDerWaalsContact C-N 3.29Å; V272-G274 PolarHBondContact O-N 2.99Å
275W41.7Very low47.1Very low225 Ų225132.1 Ų132.185%0.85278%0.781SS**  trans-110.192.7167.6-83.588.1000107.7S273 P277S273-W275 PolarHBondContact O-N 3.36Å; W275-P277 WeakPolarHBondContact O-CD 3.39Å
276E45.6Very low46.6Very low185 Ų185133.9 Ų133.986%0.86478%0.781SS**  trans-73.7116.7154.9-72.6-174.1142.900107.1L278E276-L278 PolarHBondContact O-N 3.27Å
277P44.6Very low46.2Very low115 Ų115132.8 Ų132.875%0.74777%0.774SS**  trans-69120.4170.928.1-31.4000108.3W275 S279W275-P277 WeakPolarHBondContact O-CD 3.39Å; P277-S279 PolarHBondContact O-N 2.95Å
278L38.5Very low45.3Very low164 Ų164133.6 Ų133.686%0.85977%0.769SS**  trans-49.8114.6166.5-85.2156.4000108.8E276 V280E276-L278 PolarHBondContact O-N 3.27Å; L278-V280 VanDerWaalsContact C-N 3.31Å; L278-V280 PolarHBondContact O-N 3.48Å
279S41.8Very low45.3Very low111 Ų111129.7 Ų129.778%0.77675%0.752SS**  trans-69.690.7173.954.60000108.9P277 T281P277-S279 PolarHBondContact O-N 2.95Å; S279-T281 PolarHBondContact O-N 3.32Å
280V44.4Very low45.4Very low125 Ų125128 Ų12876%0.75875%0.751SS**  trans-62.6107.4169.6178.20000107.2L278L278-V280 VanDerWaalsContact C-N 3.31Å; L278-V280 PolarHBondContact O-N 3.48Å
281T41.2Very low45.2Very low126 Ų126131.2 Ų131.277%0.77375%0.752SS**  trans-60.2135.1172.943.70000109.9S279 G283S279-T281 PolarHBondContact O-N 3.32Å; T281-G283 PolarHBondContact O-N 3.48Å; T281-G283 VanDerWaalsContact O-N 3.08Å
282E52.7Low44.9Very low206 Ų206127 Ų12796%0.96373%0.73SS**SBendtrans-56.1109.1-172.5-166.1161.3-169.700112.2
283G43.2Very low44.7Very low60 Ų60129 Ų12962%0.61972%0.723SS**  trans-153.7138.9178.800000109.1T281 L285T281-G283 PolarHBondContact O-N 3.48Å; T281-G283 VanDerWaalsContact O-N 3.08Å; G283-L285 PolarHBondContact O-N 3.29Å; G283-L285 VanDerWaalsContact O-N 3.14Å
284S45.6Very low44.5Very low102 Ų102134 Ų13471%0.71373%0.732SS**  trans-59.7114.3-176.6470000111.4E286S284-E286 PolarHBondContact O-N 2.93Å
285L44.6Very low44.1Very low148 Ų148138.4 Ų138.478%0.77574%0.737SS**  trans-78103.8178.5-151.789.6000109.9G283 V287G283-L285 PolarHBondContact O-N 3.29Å; G283-L285 VanDerWaalsContact O-N 3.14Å; L285-V287 HydrophobicContact CD2-CG2 4.27Å; L285-V287 PolarHBondContact O-N 2.85Å
286E46.4Very low44Very low139 Ų139133.7 Ų133.765%0.6574%0.738SS**  trans-75.6103.1174.2-70.4-176.4-178.900110.5S284 V288 W293S284-E286 PolarHBondContact O-N 2.93Å; E286-V288 PolarHBondContact O-N 3.47Å; E286-W293 HydrophobicContact CB-CZ3 4.21Å; E286-W293 HydrophobicContact CG-CZ3 4.24Å
287V47.4Very low43.7Very low99 Ų99128.7 Ų128.760%0.674%0.736SS**  trans-86.695.4175.1-177.30000109.4L285 T289L285-V287 HydrophobicContact CD2-CG2 4.27Å; L285-V287 PolarHBondContact O-N 2.85Å; V287-T289 HydrophobicContact CG1-CG2 4.26Å; V287-T289 PolarHBondContact O-N 3.32Å
288V39.2Very low43.3Very low110 Ų110133.6 Ų133.667%0.66774%0.741SS**  trans-79106.1174.5-1770000109.8E286 W293E286-V288 PolarHBondContact O-N 3.47Å; V288-W293 HydrophobicContact CG2-CH2 4.16Å; V288-W293 HydrophobicContact CG2-CZ3 4.24Å
289T53.2Low43.1Very low80 Ų80137 Ų13749%0.49174%0.743SS.*  trans-104.9160.6161.9620000109.9V287 K291V287-T289 HydrophobicContact CG1-CG2 4.26Å; V287-T289 PolarHBondContact O-N 3.32Å; T289-K291 PolarHBondContact O-N 2.83Å
290D46.8Very low43.1Very low141 Ų141136.2 Ų136.275%0.75474%0.735SS**THydrogen-bonded Turntrans-69.811.3-176.266.4-54000114.7
291K46.1Very low42.6Very low179 Ų179138.1 Ų138.178%0.77874%0.741SS**THydrogen-bonded Turntrans-136.19.8-175-58.8-65.2167.4-172.90115.9T289T289-K291 PolarHBondContact O-N 2.83Å
292G42.1Very low42.1Very low34 Ų34136 Ų13635%0.35174%0.744SS.*  trans115.1173.2165.400000116.8
293W43.7Very low41.1Very low182 Ų182136 Ų13669%0.68974%0.741SS**  trans-92.2138.2-163.8-52.784.1000113.5E286 V288E286-W293 HydrophobicContact CB-CZ3 4.21Å; E286-W293 HydrophobicContact CG-CZ3 4.24Å; V288-W293 HydrophobicContact CG2-CH2 4.16Å; V288-W293 HydrophobicContact CG2-CZ3 4.24Å
294F39.2Very low41.1Very low204 Ų204139.1 Ų139.190%0.89575%0.75SS**  trans-132.3134.9167.6-77-87.4000110.8
295L38.8Very low40.3Very low171 Ų171139 Ų13990%0.89576%0.755SS**  trans-107.3121.8174-78.6162.3000109.5
296S39.9Very low39.6Very low127 Ų127136.2 Ų136.289%0.88875%0.754SS**  trans-108.5115172.6-1750000109.4
297G39.3Very low38.7Very low79 Ų79135.3 Ų135.381%0.81476%0.762SS**  trans-104.6123178.400000111.5
298Y36.1Very low37.8Very low218 Ų218138.2 Ų138.286%0.85577%0.774SS**  trans-93138.8173.9-156-98.3000110.1
299R34.5Very low37.9Very low236 Ų236137.8 Ų137.889%0.89177%0.773SS**  trans-112127.3169.9-97.1-171.2175.2-177.3-0.7109.4
300P40.5Very low36.8Very low95 Ų95142 Ų14262%0.61779%0.788SS**  trans-85.6148.6170.935.9-33.7000111.4
301D34Very low35.9Very low165 Ų165141.6 Ų141.688%0.88279%0.79SS**  150.2146.3126.2-79.1-26.9000113.5
302G31.5Very low34.9Very low81 Ų81137.4 Ų137.484%0.83578%0.783SS**  trans116.480158.300000118.4
303K30.2Very low34.3Very low207 Ų207143.5 Ų143.590%0.981%0.807SS**  trans-93.5168.2146.4-83.7-177.4178.51760108.6
304P43.9Very low33.7Very low124 Ų124140.4 Ų140.481%0.80581%0.809SS**  cis-133177.47.735.6-15000117
305A28.8Very low33.2Very low99 Ų99138.1 Ų138.182%0.81880%0.804SS**  trans-29.5146.8173.600000121.3
306A29.1Very low32.9Very low91 Ų91136.3 Ų136.375%0.75279%0.794SS**  -168.2153.912400000113.5
307S27.9Very low32.5Very low119 Ų119138.5 Ų138.583%0.83279%0.79SS**  trans55.6109.9156.854.20000122.1
308L29.1Very low32.1Very low161 Ų161142.5 Ų142.584%0.84379%0.793SS**  trans-50.4169.9140.2-80.3162.4000112.6
309P42Very low31.7Very low100 Ų100135 Ų13565%0.64978%0.781SS**  cis-138.8179.522.542-23.1000117.4
310E29Very low31.5Very low170 Ų170132.5 Ų132.579%0.79478%0.78SS**  trans32.2135.8142.2-66.4174.1135.300119.7
311T27.6Very low31Very low132 Ų132136.3 Ų136.381%0.8179%0.789SS**  -154.6147.482.8-65.40000113.2
312S26Very low30.9Very low91 Ų91134.4 Ų134.464%0.63678%0.775SS**  trans-46.4158.5176.153.80000117.2
313L29.3Very low31Very low162 Ų162137.1 Ų137.185%0.84877%0.771SS**  -157127.5116-108.5160.8000112
314T30Very low31.1Very low117 Ų117136.8 Ų136.872%0.71876%0.764SS**  trans-106.7124.1178.445.60000110.8
315I29.8Very low30.9Very low155 Ų155141.8 Ų141.880%0.79577%0.767SS**  trans-150.596.9160-50.6-179.5000104.2
316I31.8Very low30.9Very low134 Ų134144 Ų14469%0.68777%0.77SS**  6111679-58.8-177.9000113
317E32.6Very low31.2Very low173 Ų173144.7 Ų144.781%0.80877%0.769SS**  trans17.2144.3149-62.9163.9151.700119
318D29.7Very low31.6Very low162 Ų162147.1 Ų147.187%0.86677%0.772SS**  cis-163.8170.635.6-148.8-15.5000111.3
319G29Very low31.8Very low60 Ų60146 Ų14662%0.61977%0.767SS**  trans128.7102.915700000119.4
320E29.2Very low31.6Very low184 Ų184146.9 Ų146.986%0.8678%0.776SS**  trans84.7129.5138.6-59.3-171.1163.600122.7
321E30.5Very low31.9Very low175 Ų175141.8 Ų141.882%0.81877%0.768SS**  trans97.1146.1135.3-89.8-170177.900125
322E31.2Very low32.3Very low126 Ų126142.4 Ų142.459%0.58977%0.772SS**  trans58.6117161.5-68.1-148.4119.200122.8R324E322-R324 IonicContact OE2-CZ 3.22Å; E322-R324 VanDerWaalsContact OE2-CZ 3.22Å; E322-R324 IonicContact OE2-NH1 3.07Å; E322-R324 PolarHBondContact OE2-NH1 3.32Å; E322-R324 IonicContact OE2-NH2 2.77Å; E322-R324 PolarHBondContact OE2-NH2 3.46Å
323N33.6Very low32.7Very low138 Ų138142.7 Ų142.774%0.73877%0.774SS**  -13.1140.1129.6-75.8-54.6000116.1
324R33.9Very low33Very low199 Ų199140.6 Ų140.675%0.75177%0.767SS**  -153.8116.8129.9-111.1160.7-155.885.80.2112.3E322E322-R324 IonicContact OE2-CZ 3.22Å; E322-R324 VanDerWaalsContact OE2-CZ 3.22Å; E322-R324 IonicContact OE2-NH1 3.07Å; E322-R324 PolarHBondContact OE2-NH1 3.32Å; E322-R324 IonicContact OE2-NH2 2.77Å; E322-R324 PolarHBondContact OE2-NH2 3.46Å
325R38.4Very low33.2Very low230 Ų230143.6 Ų143.687%0.86877%0.773SS**  trans-75.4151.3156.2-69.2176.2167.5123.8-4.6108.3
326T30.1Very low33.3Very low146 Ų146139.9 Ų139.990%0.89677%0.766SS**  trans-125.7110.3155.250.60000109.7
327S35.5Very low33.3Very low104 Ų104140.7 Ų140.773%0.72777%0.771SS**  trans-100.3150.5169.848.60000110.6
328L35.8Very low33.4Very low171 Ų171137.1 Ų137.190%0.89577%0.766SS**  trans-132112.5153.6-75.1164.5000104
329D32.2Very low33.5Very low137 Ų137135.8 Ų135.873%0.73376%0.764SS**  cis94.8145.946-170.240.9000113.3
330S38.2Very low33.6Very low119 Ų119138 Ų13883%0.83278%0.776SS**  trans106.9106.7-168.5-520000111.5
331G36.1Very low33.6Very low62 Ų62135.6 Ų135.664%0.63977%0.769SS**  cis141.6149.21.800000112.2
332V35.6Very low33.6Very low146 Ų146132.7 Ų132.789%0.88576%0.759SS**  trans81.9133.3152.4-173.80000118
333S34.9Very low33.5Very low97 Ų97138 Ų13868%0.67877%0.773SS**  cis-169.9-173.7-29.158.70000110.9
334V34.6Very low33.4Very low118 Ų118134.9 Ų134.972%0.71578%0.775SS**  trans72.5106168.2-173.70000115.5
335E33.9Very low33.2Very low179 Ų179137.8 Ų137.884%0.83679%0.785SS**  80.9132.955.8-169.4178.8-148.300112.9
336A31.6Very low32.7Very low78 Ų78138.3 Ų138.365%0.64579%0.787SS**  cis-163.9-177.4-1900000110.9
337N32.9Very low32.9Very low150 Ų150139.4 Ų139.480%0.80278%0.783SS**  trans93.6100.8157-63.5-18.6000122.3
338S33.7Very low32.6Very low99 Ų99142.2 Ų142.269%0.69278%0.784SS**  86.1127.3113.571.10000124
339T32.4Very low32.6Very low134 Ų134146 Ų14682%0.82279%0.786SS**  trans81.9129140.146.70000123.2
340A31.2Very low32.5Very low105 Ų105148.6 Ų148.687%0.86879%0.794SS**  trans66.2151153.900000118.2
341D29.1Very low32.3Very low134 Ų134151.7 Ų151.772%0.71780%0.796SS**  cis-164.6165.1-24.2177.729000107
342N30.3Very low32.1Very low114 Ų114155.4 Ų155.461%0.6180%0.801SS**  trans62.8104.1161.9-89.7-56.1000120.9
343R30.4Very low32.4Very low237 Ų237154.3 Ų154.389%0.89480%0.8SS**  46.796.6111.7-171.7-169.9-90.8-154.1-3.3117.3
344G30.3Very low32.6Very low74 Ų74152.9 Ų152.976%0.76380%0.801SS**  trans-173.597.2163.800000113.8R346G344-R346 PolarHBondContact O-N 3.32Å
345R29.2Very low32.6Very low259 Ų259154.1 Ų154.198%0.97781%0.813SS**  trans-72.2118.7-179.2-160.9-176.4-162.2-161.96110.3
346R27.9Very low32.6Very low241 Ų241149.2 Ų149.291%0.90981%0.81SS**  trans-105.6171.2169.4-98-166.4-178-163.23.5112.6G344G344-R346 PolarHBondContact O-N 3.32Å
347Q34.6Very low32.8Very low170 Ų170151.4 Ų151.479%0.79482%0.821SS**  trans-93.3-167.3-167-166.5165.5-67.800111.6
348E30.8Very low32.8Very low163 Ų163153.4 Ų153.476%0.76283%0.827SS**  trans90121.4168.6-64.2149.8-169.400113.6
349R34.6Very low32.6Very low249 Ų249152.1 Ų152.194%0.9483%0.83SS**  5712860.4-96.3-169.1174.5124.20.7112.2
350Q31.2Very low32.4Very low193 Ų193151.5 Ų151.590%0.90283%0.831SS**  trans-132.3129.3-178.5-161.2165.55.600109.1
351E33.7Very low33.4Very low184 Ų184151 Ų15186%0.8682%0.819SS**  trans-89176.7173.6-18.3-179.5140.900107.2
352D31Very low33.6Very low139 Ų139151.9 Ų151.974%0.74382%0.819SS**  cis-162.3166.5-10.2177.428.9000105.5
353S42.4Very low33.5Very low123 Ų123153.3 Ų153.386%0.8683%0.825SS**  trans179.1104.4150.8-81.90000110.8
354G39.1Very low33.6Very low68 Ų68146.9 Ų146.970%0.70182%0.817SS**  trans-107.4170.218000000116
355C34.9Very low33.6Very low144 Ų144147.4 Ų147.497%0.97381%0.814SS**  trans-177.1139.5159.6-128.40000107.5
356G32.9Very low33.6Very low76 Ų76143.7 Ų143.778%0.78481%0.807SS**  cis-171.8155.8-6.800000109.1
357S36.6Very low33.7Very low123 Ų123137.2 Ų137.286%0.8680%0.798SS**  trans-85.7146.8-167.1-51.60000115.9
358M33.4Very low33.6Very low192 Ų192137.6 Ų137.695%0.94680%0.8SS**  trans-166.4140.7133.3-71-149.180.900107.8
359G27.4Very low33.5Very low73 Ų73137 Ų13775%0.75381%0.808SS**  cis-164151.3-7.700000109.8
360S28.9Very low33.2Very low121 Ų121131.5 Ų131.585%0.84680%0.797SS**  trans-91.4-175.1175.3-131.70000109.3
361P52.4Low32.8Very low94 Ų94132 Ų13261%0.6179%0.792SS**  cis-142.9-170.613.133.1-7.4000117.7
362E33.6Very low33.5Very low152 Ų152128.2 Ų128.271%0.7178%0.783SS**  trans83.8138.1164.8-41.6-46.1169.300118
363I27.6Very low33.4Very low145 Ų145129.9 Ų129.974%0.74479%0.789SS**  cis-144.5171.5-2.1-128.6162.2000112.8
364S32.9Very low32.9Very low102 Ų102132.7 Ų132.771%0.71379%0.788SS**  trans-51.7168.2175.466.80000116.8
365A29.4Very low32.3Very low85 Ų85136.5 Ų136.570%0.70279%0.792SS**  cis-160.5169.32200000114.7
366H29.8Very low32.2Very low181 Ų181137.3 Ų137.384%0.83878%0.782SS**  trans-8.1155.3145.4-87.4-97.4000119.5
367S30.3Very low32Very low104 Ų104138.2 Ų138.273%0.72778%0.777SS**  cis-158.2165.523.846.40000114.8
368H32.8Very low31.7Very low179 Ų179139.5 Ų139.583%0.82977%0.773SS**  trans-62.8156.4164.2-71.3-108.1000114.4
369T28.3Very low31.6Very low151 Ų151138.7 Ų138.793%0.92677%0.767SS**  -162.6162.2126.123.10000111.7
370D27.9Very low31.7Very low133 Ų133139.3 Ų139.371%0.71177%0.765SS**  trans-129.5132.9-170.2-122.8-13.7000111.1
371Y24Very low31.8Very low204 Ų204141 Ų14180%0.877%0.765SS**  trans59.7170.4157.1-67.4-65.5000121.6
372P48.1Very low30.6Very low104 Ų104144 Ų14468%0.67577%0.771SS**  cis-141161.4-4237.7-20.7000118
373M29.2Very low30.5Very low173 Ų173142.7 Ų142.785%0.85277%0.772SS**  trans60.5155145.7-71.4-145.4-59.300126
374Q30.2Very low30.7Very low183 Ų183140.8 Ų140.886%0.85577%0.772SS**  trans74.8151.7169.6-70.7177.8-19.800117.9
375D28.4Very low30.6Very low147 Ų147144.7 Ų144.779%0.78678%0.776SS**  cis-165.2178.6-31.1-161.2-4.4000107.6
376E31.3Very low30.6Very low161 Ų161151.2 Ų151.275%0.75278%0.782SS**  trans70.599.6162.8-65.6-162.3117.700122.2
377S29.7Very low30.8Very low96 Ų96150.2 Ų150.267%0.67178%0.778SS**  77.8148.6113.486.40000124.6
378L30Very low30.6Very low149 Ų149152.2 Ų152.278%0.7878%0.781SS**  trans81110.2155.8-59.9177.9000122.4
379E30.5Very low30.9Very low175 Ų175149.5 Ų149.582%0.81878%0.782SS**  70.5149.8123.6-67.8-68.914800123.8
380A30.7Very low31.1Very low86 Ų86144.9 Ų144.971%0.71177%0.765SS**  trans76.692.3155.600000122.5
381D29.8Very low31.3Very low158 Ų158147.7 Ų147.785%0.84578%0.775SS**  80.5157.5110.9-135.4-3.2000124.1
382E28.7Very low31.6Very low157 Ų157141.3 Ų141.373%0.73477%0.772SS**  trans70.7106.9164.5-67.4-149.712200123.6
383V31.3Very low30.9Very low123 Ų123144.8 Ų144.875%0.74578%0.784SS**  51.6113.6118.1-177.30000119.5
384S31.3Very low30.7Very low106 Ų106140 Ų14074%0.74178%0.779SS**  -178.9139.5105.853.20000116.9
385K31.1Very low30.8Very low183 Ų183137.5 Ų137.580%0.79678%0.78SS**  trans33.2119139.8-62.2179.3174.4-178.80121.2
386R30.3Very low31.1Very low222 Ų222135.5 Ų135.584%0.83878%0.775SS**  -176.3126.4105.9-95.9169172.1131.8-2.5108.9
387E33Very low30.8Very low161 Ų161137.6 Ų137.675%0.75279%0.785SS**  55.287.480-64.6169.8173.200109.9
388D27.1Very low30.6Very low145 Ų145140.7 Ų140.778%0.77579%0.788SS**  75.4113.585.4-172.323.1000113.2G390D388-G390 PolarHBondContact OD1-N 2.88Å
389S39.2Very low30.4Very low123 Ų123138.6 Ų138.686%0.8679%0.786SS**  trans-165.270.1161.9-78.40000108.1
390G31.5Very low30.2Very low54 Ų54134.2 Ų134.256%0.55778%0.775SS**  trans-70.4126.5163.800000110.9D388D388-G390 PolarHBondContact OD1-N 2.88Å
391M33.3Very low30Very low191 Ų191139.4 Ų139.494%0.94178%0.782SS**  trans-148.3103.3153.1-91.7-59.7111.800108.5
392G29.7Very low29.9Very low70 Ų70140.2 Ų140.272%0.72279%0.785SS**  trans-105134.9175.300000111.9
393L32.5Very low29.7Very low177 Ų177141.1 Ų141.193%0.92779%0.786SS**  trans-135.7110.9153.3-63172.2000102.8
394G26.3Very low29.5Very low73 Ų73143.5 Ų143.575%0.75379%0.794SS**  82.4124.260.400000108.4
395C30.5Very low29.3Very low131 Ų131145.1 Ų145.189%0.88579%0.794SS**  cis-157.6-177.21.4-120.50000109.1
396P36Very low29.1Very low105 Ų105140.9 Ų140.968%0.68279%0.788SS**  trans-94166.4-15037.8-39.4000115.9
397H25.3Very low29.2Very low205 Ų205138.8 Ų138.895%0.94979%0.787SS**  trans-112.6123.9151.1-92.5-67.7000111
398H24.7Very low29Very low161 Ų161137.3 Ų137.375%0.74579%0.785SS**  trans-111126.3-177.9-177.6101.3000109.6
399S27Very low29.2Very low105 Ų105135.4 Ų135.473%0.73478%0.779SS**  trans177.4116.6146.525.70000107.9
400S25.8Very low28.7Very low82 Ų82139 Ų13957%0.57378%0.779SS**  56.192.359.776.20000111.9
401F27Very low28.5Very low196 Ų196140.7 Ų140.786%0.8678%0.782SS**  77.6113.988.8-94.2-72.6000113.5
402L25.9Very low28.3Very low174 Ų174139 Ų13991%0.91178%0.776SS**  trans-133.9121.4146.9-81.6178.8000109.5
403K24.5Very low28.2Very low177 Ų177142.3 Ų142.377%0.7778%0.782SS**  trans-111.2142.6166.9-138.2-173.6-176.2-167.30105.6
404L27.9Very low27.9Very low173 Ų173142.3 Ų142.391%0.90678%0.777SS**  trans-134.3154.7164.2-132.797.7000108.7
405D27.8Very low28Very low139 Ų139145.2 Ų145.274%0.74378%0.781SS**  trans-136-179.9-155.7-141.7-29.5000112.9
406S26.7Very low27.9Very low95 Ų95144.6 Ų144.666%0.66477%0.772SS**  trans78.8111.1-17974.10000115.6
407Q31.9Very low27.6Very low177 Ų177147.5 Ų147.583%0.82778%0.78SS**  79.2137.681.4-78.4172.7-36.500113
408D29.4Very low27.7Very low130 Ų130144.2 Ų144.270%0.69578%0.775SS**  cis-158159.532.3-139.9-34.5000117.1
409T31.4Very low27.9Very low106 Ų106139.4 Ų139.465%0.6577%0.769SS**  trans39.4126.3153.114.10000128.2
410K28.4Very low27.9Very low199 Ų199140.5 Ų140.587%0.86577%0.766SS**  trans60.5153138.7-91-179.3175.8175.70121
411S26.3Very low28Very low88 Ų88145.5 Ų145.562%0.61577%0.774SS**  cis-164.2142.2-1.5176.60000112.3
412L28.9Very low28.1Very low157 Ų157147.3 Ų147.382%0.82278%0.775SS**  trans37.4127153.6-65.5167.2000122.2
413V28.6Very low28.2Very low139 Ų139144.6 Ų144.684%0.84277%0.766SS**  -171.6146.9107.81460000111.1
414E26.7Very low28.4Very low176 Ų176145.6 Ų145.682%0.82277%0.773SS**  trans-91.7134.9179.8170.9-173.3-17900111.8
415T26.5Very low28.5Very low135 Ų135142.8 Ų142.883%0.82877%0.768SS**  trans-158.5136.1148.1-220000112.7
416V30Very low28.8Very low117 Ų117142.2 Ų142.271%0.70977%0.772SS**  trans-88.8141.3169172.60000109.2
417I28.1Very low28.8Very low166 Ų166143.5 Ų143.585%0.85178%0.781SS**  trans-169.8144.4140.1-99.4152.2000113.3
418V28.3Very low28.6Very low137 Ų137144.2 Ų144.283%0.8378%0.784SS**  trans-58.3144.6178.2176.10000115.2
419G28.4Very low28.4Very low60 Ų60146.3 Ų146.362%0.61979%0.792SS**  113.1112129.200000121
420N28.2Very low28.2Very low128 Ų128150.5 Ų150.568%0.68480%0.804SS**  trans68.2138.6136.6-67-0.2000123.9
421Y27Very low28.2Very low187 Ų187147 Ų14773%0.73380%0.799SS**  trans-53.1128.8176.917.9-100.6000118.5
422R28.4Very low28.3Very low233 Ų233151.9 Ų151.988%0.87981%0.812SS**  177.4139.7113.7-106.4177.7171.4155-2.9114.6
423T29.4Very low28.2Very low118 Ų118149.9 Ų149.972%0.72481%0.812SS**  trans13.7121149.555.30000120.7
424Q29.1Very low28.1Very low197 Ų197154.2 Ų154.292%0.92181%0.813SS**  -171.7149124.6-103.3163.839.300112
425S29.3Very low28.3Very low114 Ų114153.4 Ų153.480%0.79781%0.814SS**  trans-91.7161.8174.2-680000110.8
426P33.9Very low28.4Very low127 Ų127152.2 Ų152.283%0.82581%0.811SS**  trans-84.6154.5-149.133.1-36.6000114.8
427S27.4Very low28.7Very low123 Ų123154.8 Ų154.886%0.8682%0.816SS**  trans-110.5161.7162.4-63.70000110.4
428E27.3Very low28.8Very low192 Ų192153.3 Ų153.390%0.89781%0.809SS**  trans-65.5150.1-156.7-67.8158.6114.700117
429M25.2Very low28.8Very low174 Ų174156 Ų15686%0.85782%0.815SS**  trans-76.8113.5165.9-173.8-174.8-14900109.3
430Q27.3Very low28.8Very low194 Ų194159.7 Ų159.791%0.90782%0.82SS**PPolyproline II helixtrans-81.7120.9164.8-90.8-172.4-400110.2
431V28.8Very low28.9Very low124 Ų124162.1 Ų162.175%0.75282%0.824SS**PPolyproline II helixtrans-81.2136.9-177.9169.40000111
432Q26.9Very low29.1Very low191 Ų191161.7 Ų161.789%0.89383%0.829SS**PPolyproline II helixtrans-73.5120.2166.9176.3-17811.200110.5
433S26.7Very low29.2Very low116 Ų116158 Ų15881%0.81183%0.825SS**  trans-151.4143.2142.775.20000111.7
434R28.1Very low29.3Very low229 Ų229158.5 Ų158.586%0.86483%0.83SS**  trans-130108.1173.3175.6-170.1-167.3172.24.5104.6
435D30.7Very low29.3Very low160 Ų160153 Ų15386%0.85682%0.819SS**  trans-170.2153.7142.1-95.9-21.1000110.4
436S28.6Very low29.2Very low109 Ų109159.4 Ų159.476%0.76283%0.826SS**  trans-128.1131.7-176-57.30000108.3
437E34.8Very low29.1Very low172 Ų172158.3 Ų158.380%0.80482%0.821SS**  169.9125.2118.9-89.7-172.4164.800113.3
438N31.5Very low29.5Very low135 Ų135158.3 Ų158.372%0.72282%0.818SS**  trans53.796.6135.4-54.3-32.5000121.6
439M28.4Very low29.6Very low193 Ų193157 Ų15795%0.95182%0.817SS**  -158.9160.3113.1-112-162.674.400112.7
440L28.6Very low29.9Very low137 Ų137153.5 Ų153.572%0.71782%0.815SS**  trans-120.3150.3-157.6-162.380.7000113.5
441K30.5Very low29.9Very low179 Ų179151.6 Ų151.678%0.77881%0.811SS**  trans78138.9172.6-51.3179.1-178.6175.30113.4
442Q30.5Very low29.9Very low179 Ų179151.6 Ų151.684%0.83681%0.811SS**  cis-158.2157.722-133.5161.52200110.9
443I29.7Very low30Very low154 Ų154148.6 Ų148.679%0.7981%0.806SS**  trans-107.9140.7175.1-58.9161.8000108.6
444P32.8Very low30.3Very low129 Ų129149.3 Ų149.384%0.83881%0.805SS**  -130.7143.1108.26.215.5000113.5
445A28.8Very low30.3Very low83 Ų83141.5 Ų141.569%0.68680%0.796SS**  trans-83153.5176.600000113.1
446R27.1Very low30.2Very low248 Ų248145 Ų14594%0.93680%0.798SS**  trans-171.7123.2130.7-102.6161.1-166.8-163.63.3111.9
447S30.4Very low30.6Very low103 Ų103149.5 Ų149.572%0.7280%0.804SS**  trans-71.6157.4166.250.20000111.8
448P37Very low30.5Very low124 Ų124147.1 Ų147.181%0.80580%0.804SS**  -127.1154.1116.535-28.6000113
449L29.7Very low30.7Very low165 Ų165143.5 Ų143.586%0.86480%0.799SS**PPolyproline II helixtrans-62.5144179.2-81.565.1000111.5
450A31.2Very low31.2Very low100 Ų100140.8 Ų140.883%0.82680%0.795SS**PPolyproline II helixtrans-92.9140.7163.400000110.4
451D27.7Very low31.7Very low154 Ų154142 Ų14282%0.82480%0.802SS**PPolyproline II helixtrans-76.9147-176.7-164.16.3000112.1V453D451-V453 PolarHBondContact O-N 3.26Å
452V27.7Very low32.1Very low124 Ų124138.9 Ų138.975%0.75280%0.802SS**  trans-87.891-174.4-179.70000110.3T454V452-T454 PolarHBondContact O-N 2.89Å
453V30.3Very low32.8Very low128 Ų128135 Ų13578%0.77679%0.794SS**  trans-80101.3171.1-178.70000110.1D451 G455D451-V453 PolarHBondContact O-N 3.26Å; V453-G455 PolarHBondContact O-N 3.19Å
454T32.2Very low33.7Very low131 Ų131135.5 Ų135.580%0.80480%0.796SS**  trans-67.2114.9168.452.40000110.5V452V452-T454 PolarHBondContact O-N 2.89Å
455G28.9Very low34.4Very low64 Ų64132.4 Ų132.466%0.6678%0.777SS**  trans-121.299.5-176.700000114.2V453V453-G455 PolarHBondContact O-N 3.19Å
456Y28.5Very low35.2Very low234 Ų234132.2 Ų132.292%0.91877%0.771SS**  trans-131.1105.1148.6-96.1-83.1000107.9
457K35.5Very low36.3Very low203 Ų203130 Ų13088%0.88377%0.771SS**PPolyproline II helixtrans-94.2122.2169-82.3-174.6174.9179.10108.8
458P33.9Very low37.4Very low123 Ų123130 Ų13080%0.79977%0.766SS**PPolyproline II helixtrans-67.6148.8162.229.7-32.4000109.8
459G34.9Very low38.3Very low59 Ų59125 Ų12561%0.60874%0.738SS**PPolyproline II helixtrans-65.7162177.700000113.2L461G459-L461 PolarHBondContact O-N 2.97Å
460P39.6Very low39.2Very low136 Ų136125.5 Ų125.588%0.88374%0.736SS**  trans-70.4113.2-176.128.5-33.9000111.9S462P460-S462 PolarHBondContact O-N 3.44Å
461L38.2Very low40.1Very low162 Ų162124.6 Ų124.685%0.84872%0.723SS**  trans-74.3110.2166.8-79.8154.8000109.7G459 C463G459-L461 PolarHBondContact O-N 2.97Å; L461-C463 PolarHBondContact O-N 2.88Å
462S40Very low41Very low114 Ų114122.4 Ų122.480%0.79772%0.72SS**  trans-79.2100.2172.646.20000111P460P460-S462 PolarHBondContact O-N 3.44Å
463C43.8Very low42.2Very low96 Ų96124.8 Ų124.865%0.64972%0.715SS**  trans-82.5120173.2-65.50000111.5L461L461-C463 PolarHBondContact O-N 2.88Å
464I49Very low43.6Very low165 Ų165120 Ų12085%0.84669%0.687SS**  trans-87.2110169.8-60.7170.9000108.2S466I464-S466 PolarHBondContact O-N 3.24Å
465C48.8Very low44.5Very low64 Ų64121 Ų12143%0.43268%0.682SS.*  trans-71.8118.7173.9-58.10000109.7C474C465-C474 HydrophobicContact CB-CB 4.03Å; C465-C474 WeakPolarHBondContact CB-SG 3.34Å; C465-C474 WeakPolarHBondContact SG-CB 3.36Å; C465-C474 CovalentContact SG-SG 2.05Å; C465-C474 PolarHBondContact SG-SG 3.08Å
466S45.4Very low45.4Very low79 Ų79128.5 Ų128.555%0.55269%0.691SS**  trans-64151.5168.858.80000111I464 T468 G469I464-S466 PolarHBondContact O-N 3.24Å; S466-T468 PolarHBondContact O-N 2.91Å; S466-G469 PolarHBondContact O-N 3.31Å
467Q50.5Low46.4Very low203 Ų203124.6 Ų124.695%0.94968%0.68SS**THydrogen-bonded Turntrans-59.6-15.6-171.5-76.2177.1-17.900114.7
468T53.6Low46.8Very low101 Ų101117.3 Ų117.362%0.6266%0.663SS**THydrogen-bonded Turntrans-81.7-10.6177.7560000114.3S466 Q470S466-T468 PolarHBondContact O-N 2.91Å; T468-Q470 VanDerWaalsContact C-N 3.35Å; T468-Q470 PolarHBondContact O-N 3.44Å
469G54.3Low47.3Very low21 Ų21117.1 Ų117.122%0.21667%0.665CS.*  trans67.122.7164.900000117S466 C471S466-G469 PolarHBondContact O-N 3.31Å; G469-C471 PolarHBondContact O-N 3.41Å
470Q48.2Very low47.7Very low175 Ų175124.7 Ų124.782%0.81868%0.676SS**  trans-79.111.4-173.3-68.9176.7-19.300115.5T468T468-Q470 VanDerWaalsContact C-N 3.35Å; T468-Q470 PolarHBondContact O-N 3.44Å
471C50.8Low47.8Very low81 Ų81120.7 Ų120.755%0.54766%0.66SS.*  trans-106.9129.7177.2-75.90000111.9G469 W473 C474 H475G469-C471 PolarHBondContact O-N 3.41Å; C471-W473 PolarHBondContact O-N 3.18Å; C471-C474 WeakPolarHBondContact O-CB 3.38Å; C471-C474 PolarHBondContact O-N 3.12Å; C471-C474 VanDerWaalsContact O-N 3.12Å; C471-H475 PolarHBondContact O-N 3.05Å
472S47.7Very low48.2Very low108 Ų108119.4 Ų119.476%0.75566%0.661SS**Hα-helixtrans-60.7-28-175.4560000114.4H475 R476S472-H475 PolarHBondContact O-N 2.96Å; S472-R476 PolarHBondContact O-N 3.42Å
473W52.9Low48.5Very low173 Ų173122.8 Ų122.866%0.65566%0.664SS**Hα-helixtrans-70-45.4175-164.379.9000112.1C471 H475 R476C471-W473 PolarHBondContact O-N 3.18Å; W473-H475 PolarHBondContact O-N 3.49Å; W473-R476 PolarHBondContact O-N 3.29Å; W473-R476 VanDerWaalsContact O-N 3.11Å
474C58.1Low48.7Very low27 Ų27122.1 Ų122.118%0.18267%0.674CS.*Hα-helixtrans-61-25.8174.6-50.30000112.2C465 C471C465-C474 HydrophobicContact CB-CB 4.03Å; C465-C474 WeakPolarHBondContact CB-SG 3.34Å; C465-C474 WeakPolarHBondContact SG-CB 3.36Å; C465-C474 CovalentContact SG-SG 2.05Å; C465-C474 PolarHBondContact SG-SG 3.08Å; C471-C474 WeakPolarHBondContact O-CB 3.38Å; C471-C474 PolarHBondContact O-N 3.12Å; C471-C474 VanDerWaalsContact O-N 3.12Å
475H51.2Low48.2Very low152 Ų152120.5 Ų120.570%0.70467%0.672SS**Hα-helixtrans-80.7-23178-160-47000113.5C471 S472 W473C471-H475 PolarHBondContact O-N 3.05Å; S472-H475 PolarHBondContact O-N 2.96Å; W473-H475 PolarHBondContact O-N 3.49Å
476R47.4Very low47.5Very low223 Ų223125.8 Ų125.884%0.84269%0.688SS**Hα-helixtrans-88.8-25.4-178.3-90.3-171175.8-175.90.2115.1S472 W473S472-R476 PolarHBondContact O-N 3.42Å; W473-R476 PolarHBondContact O-N 3.29Å; W473-R476 VanDerWaalsContact O-N 3.11Å
477H50Low47Very low152 Ų152130.2 Ų130.270%0.70470%0.704SS**Hα-helixtrans-115.93.1-173.2-82.1-75.4000115.4S479H477-S479 PolarHBondContact O-N 2.89Å
478G45.1Very low46.2Very low50 Ų50126.7 Ų126.752%0.51570%0.7SS.*  trans-78.6111173.400000112.4
479S43.5Very low45Very low119 Ų119132.8 Ų132.883%0.83271%0.712SS**PPolyproline II helixtrans-73.9130.8171.354.40000111.5H477H477-S479 PolarHBondContact O-N 2.89Å
480Y42.7Very low43.9Very low218 Ų218136.1 Ų136.186%0.85574%0.737SS**PPolyproline II helixtrans-79.4124.2173.3-80.1-101.4000111
481G42.3Very low42.9Very low52 Ų52133.2 Ų133.254%0.53673%0.731SS.*PPolyproline II helixtrans-93.9159.3160.200000111
482P46.2Very low41.8Very low134 Ų134135 Ų13587%0.8774%0.743SS**SBendtrans-64.5143170.529.7-33.3000109.7
483E47.4Very low40.8Very low185 Ų185137 Ų13786%0.86474%0.744SS**SBendtrans69.251.2-176.6-54.3-165.5177.100116.9T485E483-T485 VanDerWaalsContact C-N 3.28Å; E483-T485 PolarHBondContact O-N 2.83Å; E483-T485 PolarHBondContact O-OG1 2.86Å
484G47.4Very low39.7Very low83 Ų83137.4 Ų137.486%0.85675%0.753SS**SBend710.7128.200000119.5
485T38.9Very low38.3Very low131 Ų131143.3 Ų143.380%0.80478%0.783SS**  trans-121.7132.3178.141.60000111.9E483 L487E483-T485 VanDerWaalsContact C-N 3.28Å; E483-T485 PolarHBondContact O-N 2.83Å; E483-T485 PolarHBondContact O-OG1 2.86Å; T485-L487 PolarHBondContact O-N 3.36Å
486K34.2Very low37.1Very low175 Ų175142.5 Ų142.576%0.76179%0.788SS**  trans-82.3106.1179.5-70.7-179.1179.7176.10110.1
487L34.2Very low36.2Very low171 Ų171139.8 Ų139.890%0.89579%0.79SS**  trans-103.3114.7171.5-156.280.8000110.2T485T485-L487 PolarHBondContact O-N 3.36Å
488C33.2Very low35.1Very low129 Ų129140.5 Ų140.587%0.87280%0.798SS**  trans-84.2119.8172.7-71.40000110A490C488-A490 PolarHBondContact O-N 2.67Å
489R29.6Very low34.2Very low230 Ų230142 Ų14287%0.86881%0.814SS**  trans-79.3113.1173.8-169.6-179.1-165.3175.75.2109.6V491R489-V491 PolarHBondContact O-N 2.83Å
490A30.3Very low33.4Very low90 Ų90140.4 Ų140.474%0.74482%0.815SS**  trans-68129.1164.600000109.1C488C488-A490 PolarHBondContact O-N 2.67Å
491V28.7Very low32.6Very low114 Ų114136.7 Ų136.769%0.69182%0.816SS**  trans-109.3101.9170.8177.70000106.9R489 I493R489-V491 PolarHBondContact O-N 2.83Å; V491-I493 HydrophobicContact CG1-CG1 4.43Å
492C27.1Very low32Very low119 Ų119139.9 Ų139.980%0.80483%0.83SS**  trans-77128.1165.8-62.50000108.3
493I27Very low30.9Very low149 Ų149141 Ų14176%0.76483%0.829SS**  trans-99.1104.2165.4-61.5176.3000105.9V491V491-I493 HydrophobicContact CG1-CG1 4.43Å
494E29Very low29.9Very low182 Ų182139.8 Ų139.885%0.8583%0.827SS**PPolyproline II helixtrans-91.5127175.6-161.7163.4-135.600108.4
495N28.4Very low29Very low151 Ų151141.4 Ų141.481%0.80782%0.82SS**PPolyproline II helixtrans-77.4126.9178.6-85.5-29.6000109.9L497N495-L497 PolarHBondContact O-N 3.03Å
496V27.5Very low28.3Very low135 Ų135142.3 Ų142.382%0.81882%0.82SS**PPolyproline II helixtrans-62.4128-174.1175.60000112.5
497L26.8Very low28Very low167 Ų167138.2 Ų138.287%0.87481%0.813SS**  trans-137.8142.3152.3-120.3156.3000108.5N495N495-L497 PolarHBondContact O-N 3.03Å
498L28.6Very low27.7Very low166 Ų166135.9 Ų135.987%0.86981%0.811SS**  trans-78141.6-157.4-69.5105.8000115.4
499G24.9Very low27.4Very low83 Ų83140.4 Ų140.486%0.85681%0.81SS**  trans122.8130.4137.500000116.9
500G26.6Very low27.4Very low84 Ų84136.7 Ų136.787%0.86681%0.812SS**  trans121.5100.7163.400000115.1
501T27.2Very low27.2Very low141 Ų141135.5 Ų135.587%0.86581%0.809SS**  trans-90.5136.217246.80000112.4
502S27.9Very low27.1Very low118 Ų118139.5 Ų139.583%0.82582%0.817SS**  trans-175.715113453.90000112.9
503D24.7Very low27.2Very low159 Ų159139.9 Ų139.985%0.8582%0.816SS**  trans-86.4-164.9-167.8-54.2-85.1000116.7
504L26.1Very low27.1Very low158 Ų158141.2 Ų141.283%0.82782%0.819SS**  trans93.1112.8170.2-114.261.6000115.6
505V27.3Very low27Very low118 Ų118140.2 Ų140.272%0.71582%0.816SS**  63.3123.752.6-173.50000110
506D25.1Very low26.9Very low150 Ų150140.5 Ų140.580%0.80282%0.817SS**  cis-150.2175.729.9-149.9-10.2000115.4
507S27.2Very low26.9Very low88 Ų88139.1 Ų139.162%0.61581%0.814SS**  trans-50.2148.5167.8161.50000116.7
508S28.5Very low26.9Very low122 Ų122137.1 Ų137.185%0.85381%0.808SS**  trans-142.7143135.559.20000112.7
509R27.3Very low26.8Very low225 Ų225136.7 Ų136.785%0.84981%0.805SS**  trans-111.2172.5176-73.4-179.2171.4-170.5-1.6109.5
510V28.5Very low26.9Very low151 Ų151138.5 Ų138.592%0.91580%0.8SS**  trans78135.2164.6-166.20000113.1
511G26.4Very low27Very low65 Ų65142 Ų14267%0.6780%0.798SS**  cis-179-179.6-2.700000112
512K27.8Very low26.9Very low199 Ų199143.4 Ų143.487%0.86580%0.8SS**  trans-39149174.1-50165175175.30112.8
513T27.6Very low26.9Very low127 Ų127146.2 Ų146.278%0.77980%0.8SS**  -172.9153.355.239.30000113.3
514H25.7Very low27.2Very low177 Ų177147.3 Ų147.382%0.81980%0.8SS**  trans61145.7142.3-145.3-91.3000121.4
515M27.8Very low27.3Very low161 Ų161145.3 Ų145.379%0.79380%0.799SS**  trans-73.4149.7171.7-67.3175.3163.100111.7
516D26Very low27.3Very low156 Ų156147.1 Ų147.183%0.83480%0.804SS**  -162.7159.6113.8-106.1-26.6000112.3
517S27.6Very low27.5Very low106 Ų106148.6 Ų148.674%0.74181%0.811SS**  trans-79.3134.7-172.8580000114
518V25.3Very low27.7Very low125 Ų125152.4 Ų152.476%0.75882%0.819SS**  trans-140125.5151179.80000109.4T520V518-T520 HydrophobicContact CG1-CG2 4.01Å
519I26.9Very low27.8Very low158 Ų158153 Ų15381%0.8182%0.817SS**  trans-88.9120.3164.7-65.3170.2000107.4
520T27.3Very low28Very low121 Ų121147.3 Ų147.374%0.74281%0.812SS**  trans-132.3117.1161.244.50000108.9V518 L522V518-T520 HydrophobicContact CG1-CG2 4.01Å; T520-L522 PolarHBondContact O-N 3.26Å
521N28.6Very low28.3Very low156 Ų156147.8 Ų147.883%0.83481%0.809SS**  trans-62.7131.8167.5-67.3-38.9000109.3
522L25.5Very low28.7Very low171 Ų171149.8 Ų149.890%0.89581%0.809SS**  trans-143.396.2149-163.562.8000108.6T520T520-L522 PolarHBondContact O-N 3.26Å
523E27.3Very low28.7Very low177 Ų177148.6 Ų148.683%0.82780%0.803SS**  trans-66.1167.8159.7-167.2167.3-167.400109.2
524E32.1Very low29.2Very low183 Ų183148.7 Ų148.786%0.85581%0.806SS**  trans77.672.6-174.5-52.5-166.3151.900117.1
525S27.4Very low29.7Very low115 Ų115146.5 Ų146.580%0.80480%0.8SS**  -165.2154.1123.2340000111.6
526L28.4Very low29.9Very low156 Ų156144.7 Ų144.782%0.81779%0.793SS**  trans80.143.1174.7-60164.2000118.7H528L526-H528 VanDerWaalsContact C-N 3.26Å; L526-H528 PolarHBondContact O-N 3.38Å
527L28.5Very low30.5Very low182 Ų182143.7 Ų143.795%0.95379%0.792SS**  trans-77.778.5136.6-89.8172.8000109.4
528H31.8Very low30.8Very low167 Ų167143.3 Ų143.377%0.77379%0.79SS**  trans-163.443164.6-135.2128.5000116.8L526L526-H528 VanDerWaalsContact C-N 3.26Å; L526-H528 PolarHBondContact O-N 3.38Å
529V29.8Very low31.3Very low135 Ų135147.4 Ų147.482%0.81879%0.792SS**  trans-140.281.1158.2-1700000110
530S31.2Very low31.8Very low106 Ų106149.7 Ų149.774%0.74179%0.792SS**  trans-132.270.3170.758.90000108.9
531D35.2Very low32.2Very low160 Ų160152.9 Ų152.986%0.85680%0.798SS**  trans-166.557.9168.9-101.4-25.6000112.3
532T34.3Very low32.6Very low108 Ų108154.3 Ų154.366%0.66380%0.8SS**SBendtrans-157.1138.2153.8-26.30000110.2
533F29.4Very low32.8Very low173 Ų173154.9 Ų154.976%0.75980%0.797SS**  trans73.689.1177.6-51-73.1000118.2L535F533-L535 PolarHBondContact O-N 3.08Å
534P36.4Very low33.3Very low129 Ų129151.9 Ų151.984%0.83880%0.796SS**  trans-9154.2174.538.6-36.1000112.9
535L36Very low33.7Very low132 Ų132149.9 Ų149.969%0.69179%0.791SS**  trans-143.633.2-174.6-76.8-180000115.2F533F533-L535 PolarHBondContact O-N 3.08Å
536L31.8Very low34Very low123 Ų123152.2 Ų152.264%0.64479%0.792SS**  trans-136.5126.4175.9-49.6170.8000110.2V556L536-V556 HydrophobicContact CB-CG1 4.22Å; L536-V556 HydrophobicContact CD2-CG1 3.54Å; L536-V556 HydrophobicContact CG-CG1 4.41Å
537T38.6Very low34.4Very low134 Ų134152 Ų15282%0.82279%0.791SS**  trans-131.8131175-49.70000109.9
538S33.9Very low35Very low99 Ų99151.2 Ų151.269%0.69279%0.788SS**  trans-69150179178.70000112.4
539R36.8Very low35.4Very low211 Ų211148.7 Ų148.780%0.79678%0.784SS**SBendtrans-95.312.8-174.6-145-172.7-170.6-1654.7115.3
540Y36.3Very low35.7Very low206 Ų206147.8 Ų147.881%0.80878%0.784SS**SBendtrans-132.3134.9-178.4-85.3-85000113.1
541E37.1Very low36Very low187 Ų187149.9 Ų149.987%0.87479%0.786SS**  trans-66.7131.2164.8-77.7-171.7140.800110.5H543E541-H543 PolarHBondContact O-N 3.03Å; E541-H543 VanDerWaalsContact O-N 3.15Å
542Q35.6Very low36.1Very low186 Ų186145.5 Ų145.587%0.86977%0.768SS**  trans-86.590.4-165.1-171.7167.4-16.400111.9S544Q542-S544 PolarHBondContact O-N 2.88Å
543H29.8Very low36.3Very low183 Ų183148.6 Ų148.685%0.84778%0.779SS**  trans-72.3112.8159.3-9278.4000109.5E541 N545E541-H543 PolarHBondContact O-N 3.03Å; E541-H543 VanDerWaalsContact O-N 3.15Å; H543-N545 PolarHBondContact O-N 3.14Å; H543-N545 VanDerWaalsContact O-N 3.09Å
544S38Very low36.8Very low114 Ų114145.7 Ų145.780%0.79778%0.779SS**SBendtrans-68.2101.6179.8540000111.7Q542Q542-S544 PolarHBondContact O-N 2.88Å
545N41.6Very low36.9Very low142 Ų142144.6 Ų144.676%0.75977%0.766SS**  trans170.477.7134.7-173.318.6000112H543H543-N545 PolarHBondContact O-N 3.14Å; H543-N545 VanDerWaalsContact O-N 3.09Å
546M33.9Very low37.2Very low164 Ų164141.8 Ų141.881%0.80875%0.754SS**  trans-145.7112.4158.5-72.3-160.278.900109.9
547N35.3Very low37.3Very low152 Ų152143 Ų14381%0.81376%0.757SS**  trans-84.5144167.7-75.4-16.2000109.9
548N42.3Very low37.1Very low165 Ų165143.6 Ų143.688%0.88275%0.754SS**  trans63.983.9178.1-65.5-10.1000116.9
549V40.4Very low37.2Very low113 Ų113144.8 Ų144.869%0.68576%0.758SS**  trans-125.7124148.1179.70000107.8L551V549-L551 PolarHBondContact O-N 3.22Å
550S34.9Very low37.1Very low117 Ų117141 Ų14182%0.81876%0.758SS**  trans-78110.1172.750.70000109.3S552S550-S552 PolarHBondContact O-N 3.21Å
551L38.3Very low37.2Very low150 Ų150142.8 Ų142.879%0.78578%0.782SS**  trans-61.6131.2177.2-74.4165.6000111.1V549V549-L551 PolarHBondContact O-N 3.22Å
552S37.6Very low37.2Very low67 Ų67140.6 Ų140.647%0.46978%0.777SS.*  trans-87.9150.6175.7-174.10000110.3S550 C554 D555S550-S552 PolarHBondContact O-N 3.21Å; S552-C554 PolarHBondContact O-N 3.3Å; S552-D555 PolarHBondContact O-N 3.3Å; S552-D555 VanDerWaalsContact O-N 3.11Å
553L38.5Very low37.3Very low174 Ų174138.2 Ų138.291%0.91177%0.772SS**THydrogen-bonded Turntrans-66.33.1177.1-115.6151.7000113.9
554C39.8Very low37.8Very low112 Ų112135.7 Ų135.776%0.75777%0.768SS**THydrogen-bonded Turntrans-89.9-13.3173-59.10000114S552S552-C554 PolarHBondContact O-N 3.3Å
555D38.9Very low37.7Very low105 Ų105137 Ų13756%0.56177%0.766SS**SBendtrans-94.213.4-170.7-64.4-47.7000114.3S552S552-D555 PolarHBondContact O-N 3.3Å; S552-D555 VanDerWaalsContact O-N 3.11Å
556V40.8Very low37.5Very low73 Ų73136.7 Ų136.744%0.44277%0.767SS.*  trans-126.4128.1178.4-161.50000111.5L536L536-V556 HydrophobicContact CB-CG1 4.22Å; L536-V556 HydrophobicContact CD2-CG1 3.54Å; L536-V556 HydrophobicContact CG-CG1 4.41Å
557Q35.7Very low37.7Very low149 Ų149134.9 Ų134.970%0.69676%0.764SS**PPolyproline II helixtrans-102.1118.3-179.2-172.5168.22.100110.3T559Q557-T559 PolarHBondContact O-N 2.91Å
558L34Very low37.9Very low147 Ų147133.6 Ų133.677%0.7776%0.76SS**PPolyproline II helixtrans-69.8120.3168.6-80.6157.8000109.6
559T34.8Very low37.6Very low124 Ų124131.2 Ų131.276%0.76175%0.751SS**PPolyproline II helixtrans-83116.4164.247.80000109.1Q557Q557-T559 PolarHBondContact O-N 2.91Å
560T36Very low37.3Very low132 Ų132132.8 Ų132.881%0.8176%0.757SS**PPolyproline II helixtrans-85.9127.3166.550.80000109.5
561D38.9Very low37.6Very low243 Ų243134.2 Ų134.2100%1.29975%0.751SS**  trans-68.90155.3-74.3-37.2000110.6

Retrieved 561 of 561 residues in 72 ms (Link to these results)