A0A087WNT6_MOUSE Loading...

P53 induced death domain protein 1

AlphaFold DB , UniProt , Accession A0A087WNT6, Species MOUSE (Mus musculus, Mouse), Gene Pidd1, Length 379 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
1M33.5Very low29.3Very low240 Ų240145.9 Ų145.9100%1.18283%0.829SS**  0142.70-68.5159.466.700107.1
2A32.3Very low29.1Very low95 Ų95147.7 Ų147.779%0.78583%0.825SS**  trans29.4114.4171.800000118.2
3A28.5Very low28.7Very low92 Ų92144.6 Ų144.676%0.7681%0.813SS**  cis66.8152.534.200000115.2
4V29.8Very low28.6Very low132 Ų132140.8 Ų140.880%0.881%0.808SS**  trans74.9132.5167.61490000115.1
5L31.4Very low28.3Very low128 Ų128138.3 Ų138.367%0.6781%0.812SS**  cis-153.1156.73.5-107.2167.8000114
6E27.4Very low28.2Very low176 Ų176135.7 Ų135.782%0.82281%0.811SS**  trans28.7149.9143.7-81.2165.6-165.300126.3
7G26.8Very low28Very low77 Ų77132.5 Ų132.579%0.79480%0.803SS**  trans-178116.8158.300000110.5
8Q25.7Very low27.9Very low192 Ų192135.7 Ų135.790%0.89781%0.807SS**  trans-96.5167.6-178.2-67.6-178.7-95.400112.8
9E31.6Very low27.9Very low181 Ų181136.3 Ų136.385%0.84681%0.806SS**  trans-70.7174.8179.1-54.3-173.7147.700113.4
10P31.5Very low27.9Very low111 Ų111133.5 Ų133.572%0.72180%0.799SS**  -143.1179.395.841.4-28.5000116.3
11E24.2Very low27.8Very low181 Ų181131.1 Ų131.185%0.84679%0.794SS**  trans-21157.4150.2-55160.9136.300115.6
12E26.3Very low27.4Very low167 Ų167124.9 Ų124.978%0.7877%0.77SS**  cis-155-177.213.8-142.1-150.7-176.900106.9
13T24.5Very low27.2Very low108 Ų108125.7 Ų125.766%0.66377%0.77SS**  cis-144.1173.74.5-25.90000105.4
14A27.4Very low27.2Very low91 Ų91126.7 Ų126.775%0.75277%0.766SS**  cis-156.4175.21900000111.7
15A23.6Very low27.2Very low104 Ų104127.7 Ų127.786%0.8677%0.766SS**  trans-138.2149.4167.600000111.8
16A26.2Very low27.3Very low96 Ų96130.8 Ų130.879%0.79378%0.778SS**  trans-157.4107.3159.700000106.6
17A26.3Very low27.5Very low82 Ų82125.6 Ų125.668%0.67877%0.765SS**  79.9100.281.900000110.2
18E26.3Very low27.7Very low189 Ų189128.4 Ų128.488%0.88377%0.766SS**  88.511782.8-84.9-178.115100112.1
19D26.8Very low28.4Very low147 Ų147126.7 Ų126.779%0.78676%0.763SS**  trans-14767.6132.5-160.2-11.4000109.4A21D19-A21 VanDerWaalsContact C-N 3.28Å; D19-A21 PolarHBondContact O-N 2.88Å
20A27.5Very low28.3Very low80 Ų80120.5 Ų120.566%0.66174%0.743SS**  trans-82.880.7165.300000108T22A20-T22 PolarHBondContact O-N 3.16Å; A20-T22 PolarHBondContact O-OG1 3.07Å
21A25.9Very low28.2Very low84 Ų84117.4 Ų117.469%0.69473%0.731SS**  trans-64.379-177.400000112.3D19 S23D19-A21 VanDerWaalsContact C-N 3.28Å; D19-A21 PolarHBondContact O-N 2.88Å; A21-S23 PolarHBondContact O-N 3.21Å; A21-S23 VanDerWaalsContact O-N 3.13Å
22T26.6Very low28.5Very low110 Ų110114.9 Ų114.968%0.67573%0.731SS**  trans-74.4100.8-177.1-36.90000109.6A20 T24A20-T22 PolarHBondContact O-N 3.16Å; A20-T22 PolarHBondContact O-OG1 3.07Å; T22-T24 HydrophobicContact CG2-CG2 3.67Å; T22-T24 PolarHBondContact O-N 2.97Å
23S26.2Very low29Very low112 Ų112110.2 Ų110.278%0.78373%0.727SS**  trans-80.375.4164.648.70000110.1A21 L25A21-S23 PolarHBondContact O-N 3.21Å; A21-S23 VanDerWaalsContact O-N 3.13Å; S23-L25 PolarHBondContact O-N 2.72Å
24T29.7Very low29.4Very low112 Ų112106.8 Ų106.869%0.68771%0.709SS**  trans-61.299.4172.548.50000110.8T22T22-T24 HydrophobicContact CG2-CG2 3.67Å; T22-T24 PolarHBondContact O-N 2.97Å
25L29.1Very low30.1Very low153 Ų153107.9 Ų107.980%0.80171%0.709SS**  trans-104.474.7158.8-77.6173.6000109.4S23 A27S23-L25 PolarHBondContact O-N 2.72Å; L25-A27 PolarHBondContact O-N 3.04Å; L25-A27 VanDerWaalsContact O-N 3.16Å
26E34.7Very low31.4Very low194 Ų194105.9 Ų105.991%0.90768%0.681SS**  trans-62.4107.3149.3-73.6-162128.100107.8
27A30.4Very low32.6Very low67 Ų67103.9 Ų103.955%0.55466%0.657SS**  trans-140.349.6-179.600000112.5L25L25-A27 PolarHBondContact O-N 3.04Å; L25-A27 VanDerWaalsContact O-N 3.16Å
28V31.7Very low33.7Very low135 Ų135103.5 Ų103.582%0.81865%0.647SS**  trans65.3161.4150-1710000117A30V28-A30 VanDerWaalsContact C-N 3.25Å; V28-A30 PolarHBondContact O-N 3.13Å
29D39.5Very low34.8Very low157 Ų15799.9 Ų99.984%0.8465%0.65SS**  trans-58.986.3159179.726.1000110.3G31D29-G31 PolarHBondContact O-N 2.94Å; D29-G31 VanDerWaalsContact O-N 3.07Å
30A30.2Very low36.3Very low51 Ų5195.2 Ų95.242%0.42164%0.636SS.*  trans-78.592.4-174.900000111.2V28 A34V28-A30 VanDerWaalsContact C-N 3.25Å; V28-A30 PolarHBondContact O-N 3.13Å; A30-A34 HydrophobicContact CB-CB 3.89Å
31G28.5Very low38.9Very low46 Ų4693.8 Ų93.847%0.47462%0.617SS.*  trans-52.6166.6164.700000112.9D29 G33D29-G31 PolarHBondContact O-N 2.94Å; D29-G31 VanDerWaalsContact O-N 3.07Å; G31-G33 PolarHBondContact O-N 2.74Å
32P30.7Very low41.6Very low128 Ų12893.4 Ų93.483%0.83160%0.601SS**THydrogen-bonded Turntrans-67.684.4-166.328.1-36.4000113.1
33G36.8Very low44.5Very low68 Ų6888.7 Ų88.770%0.70157%0.572SS**THydrogen-bonded Turntrans176.9-12.2-178.600000117G31G31-G33 PolarHBondContact O-N 2.74Å
34A34Very low47.3Very low36 Ų3686 Ų8630%0.29855%0.549SS..SBendtrans-71.7145.8176.800000112.7A30 F36A30-A34 HydrophobicContact CB-CB 3.89Å; A34-F36 WeakPolarHBondContact O-CD2 3.44Å; A34-F36 PolarHBondContact O-N 3.45Å
35P41.2Very low49.8Very low115 Ų11581.7 Ų81.775%0.74752%0.522SS*.  trans-70.2125.2175.128.5-33.4000111
36F50.5Low52.3Low61 Ų6175 Ų7527%0.26849%0.486SS..  trans-90.9-9-169.3-82-65.5000116.2A34 P38 R54 L58A34-F36 WeakPolarHBondContact O-CD2 3.44Å; A34-F36 PolarHBondContact O-N 3.45Å; F36-P38 VanDerWaalsContact O-CD 3.27Å; F36-P38 WeakPolarHBondContact O-CD 3.32Å; F36-R54 VanDerWaalsContact CZ-NH2 3.34Å; F36-L58 HydrophobicContact CB-CD2 4.21Å; F36-L58 HydrophobicContact CD2-CD2 4.35Å; F36-L58 HydrophobicContact CG-CD2 4.4Å
37L52.1Low54Low55 Ų5571.9 Ų71.929%0.28848%0.475SS..  trans-81.1114.6175.3-68.9173.1000109.8Q65 V69L37-Q65 HydrophobicContact CD1-CB 4.41Å; L37-V69 HydrophobicContact CD2-CG2 3.96Å
38P48.7Very low55.7Low74 Ų7478.5 Ų78.548%0.48149%0.486SS..  trans-61.2153.8163.329.5-35.2000109.5F36 G40 Q42F36-P38 VanDerWaalsContact O-CD 3.27Å; F36-P38 WeakPolarHBondContact O-CD 3.32Å; P38-G40 PolarHBondContact O-N 3.06Å; P38-Q42 WeakPolarHBondContact CD-O 3.37Å; P38-Q42 VanDerWaalsContact CG-O 3.31Å; P38-Q42 WeakPolarHBondContact CG-O 3.27Å
39A49.3Very low57.4Low112 Ų11277.9 Ų77.993%0.92649%0.485SS*.THydrogen-bonded Turntrans-55.9115.7-174.300000111.8
40G59.8Low59.2Low49 Ų4971.7 Ų71.751%0.50546%0.458SS..THydrogen-bonded Turntrans117.424.3177.200000117.2P38 Q42P38-G40 PolarHBondContact O-N 3.06Å; G40-Q42 WeakPolarHBondContact O-CG 3.31Å; G40-Q42 PolarHBondContact O-N 3.4Å; G40-Q42 VanDerWaalsContact O-N 3.17Å
41N80.7Confident61.7Low50 Ų5069.5 Ų69.527%0.26744%0.441SS..THydrogen-bonded Turntrans59.326.9173.2-67-17.1000115.1Q68 V69 E70 F71N41-Q68 VanDerWaalsContact CB-O 3.32Å; N41-Q68 WeakPolarHBondContact CB-O 3.49Å; N41-Q68 VanDerWaalsContact CG-O 3.25Å; N41-Q68 PolarHBondContact ND2-O 3.17Å; N41-V69 WeakPolarHBondContact O-CA 3.42Å; N41-E70 HydrophobicContact CB-CB 4.17Å; N41-E70 HydrophobicContact CB-CG 4.05Å; N41-E70 PolarHBondContact ND2-OE1 2.98Å; N41-E70 PolarHBondContact O-N 3.29Å; N41-F71 PolarHBondContact O-N 2.89Å
42Q84.3Confident64.4Low76 Ų7667.3 Ų67.336%0.35542%0.418SS..EExtended strand (participates in β ladder)trans-101.8137.6-179.9-52.7-165.4-3.800111.8P38 G40 N44 F71P38-Q42 WeakPolarHBondContact CD-O 3.37Å; P38-Q42 VanDerWaalsContact CG-O 3.31Å; P38-Q42 WeakPolarHBondContact CG-O 3.27Å; G40-Q42 WeakPolarHBondContact O-CG 3.31Å; G40-Q42 PolarHBondContact O-N 3.4Å; G40-Q42 VanDerWaalsContact O-N 3.17Å; Q42-N44 PolarHBondContact OE1-ND2 3.47Å; Q42-F71 HydrophobicContact CB-CB 4.31Å; Q42-F71 HydrophobicContact CG-CB 4.1Å; Q42-F71 HydrophobicContact CG-CD2 3.96Å; Q42-F71 HydrophobicContact CG-CG 4.23Å
43L86.1Confident67Low12 Ų1266.8 Ų66.86%0.06340%0.404CS..EExtended strand (participates in β ladder)trans-12586.3177.6-175.851.4000109.7L45 L55 L58 L66 V69 F71 L72 R73L43-L45 HydrophobicContact CD1-CD1 4.03Å; L43-L45 HydrophobicContact CD1-CD2 3.78Å; L43-L45 HydrophobicContact CD1-CG 3.82Å; L43-L45 HydrophobicContact CD2-CD1 4.32Å; L43-L45 HydrophobicContact CG-CD1 3.95Å; L43-L45 HydrophobicContact CG-CD2 4.48Å; L43-L45 HydrophobicContact CG-CG 3.97Å; L43-L55 HydrophobicContact CD2-CD1 4.12Å; L43-L58 HydrophobicContact CD1-CD1 3.84Å; L43-L58 HydrophobicContact CD2-CD1 4.03Å; L43-L66 HydrophobicContact CD2-CD2 3.56Å; L43-V69 HydrophobicContact CB-CG1 3.85Å; L43-V69 HydrophobicContact CB-CG2 4.15Å; L43-V69 HydrophobicContact CD2-CG2 4.17Å; L43-F71 PolarHBondContact N-O 3.47Å; L43-L72 HydrophobicContact CB-CD1 4.14Å; L43-L72 HydrophobicContact CD2-CD1 4Å; L43-L72 HydrophobicContact CG-CD1 3.91Å; L43-R73 PolarHBondContact O-N 3.36Å
44N86.2Confident69.2Low56 Ų5667.5 Ų67.530%0.29939%0.386SS..EExtended strand (participates in β ladder)trans-97.295.1-175.4-58.1-25.3000109.9Q42 L47 R73Q42-N44 PolarHBondContact OE1-ND2 3.47Å; N44-L47 HydrophobicContact CB-CD1 4.47Å; N44-R73 VanDerWaalsContact OD1-CD 3.31Å; N44-R73 WeakPolarHBondContact OD1-CD 3.45Å
45L82.6Confident71.7Confident21 Ų2165.9 Ų65.911%0.1137%0.372CS..  trans-105.74.5-176.2-59.5177.7000113.2L43 R54 L55 R73 L74L43-L45 HydrophobicContact CD1-CD1 4.03Å; L43-L45 HydrophobicContact CD1-CD2 3.78Å; L43-L45 HydrophobicContact CD1-CG 3.82Å; L43-L45 HydrophobicContact CD2-CD1 4.32Å; L43-L45 HydrophobicContact CG-CD1 3.95Å; L43-L45 HydrophobicContact CG-CD2 4.48Å; L43-L45 HydrophobicContact CG-CG 3.97Å; L45-R54 HydrophobicContact CD2-CB 4.4Å; L45-R54 HydrophobicContact CD2-CG 3.79Å; L45-L55 HydrophobicContact CD1-CB 3.7Å; L45-L55 HydrophobicContact CD1-CD1 4.06Å; L45-L55 HydrophobicContact CD1-CG 4.31Å; L45-R73 WeakPolarHBondContact CA-O 3.14Å; L45-R73 WeakPolarHBondContact CB-O 3.47Å; L45-R73 PolarHBondContact N-O 2.9Å; L45-L74 HydrophobicContact CB-CD1 4.07Å
46D80.3Confident73.8Confident11 Ų1162.2 Ų62.26%0.05935%0.345CS..SBendtrans-82.4-23.1174.456-20.5000113.5R48 R73 Q106D46-R48 VanDerWaalsContact C-N 3.3Å; D46-R48 PolarHBondContact O-N 3.25Å; D46-R73 HydrophobicContact CB-CB 4.48Å; D46-R73 PolarHBondContact N-O 3.16Å; D46-R73 IonicContact OD1-NE 3.61Å; D46-R73 IonicContact OD2-CZ 3.18Å; D46-R73 IonicContact OD2-NE 2.78Å; D46-R73 PolarHBondContact OD2-NE 3.22Å; D46-R73 IonicContact OD2-NH2 2.72Å; D46-R73 PolarHBondContact OD2-NH2 3.49Å; D46-Q106 PolarHBondContact OD2-NE2 3.05Å; D46-Q106 PolarHBondContact OD2-OE1 3.49Å
47L70.6Confident75.5Confident129 Ų12963.9 Ų63.968%0.67535%0.35SS*.SBendtrans-76.4-5.5-178.3-61.4177.5000115.1N44N44-L47 HydrophobicContact CB-CD1 4.47Å
48R66.3Low77Confident206 Ų20661.7 Ų61.778%0.77734%0.339SS*.SBendtrans-142.5143.9-178-63.2-171.2-176.7-149.51.7111.3D46D46-R48 VanDerWaalsContact C-N 3.3Å; D46-R48 PolarHBondContact O-N 3.25Å
49P67.8Low78.7Confident123 Ų12359.3 Ų59.380%0.79932%0.323SS*.SBendtrans-67150.3171.530.2-35.4000111.3
50G77Confident80.4Confident27 Ų2757.5 Ų57.528%0.27830%0.304SS..  trans84.824.1-171.900000113.2C52 H53 R54 E78G50-C52 PolarHBondContact O-N 3.12Å; G50-H53 PolarHBondContact O-N 3.04Å; G50-R54 PolarHBondContact O-N 2.74Å; G50-E78 VanDerWaalsContact CA-OE1 3.26Å; G50-E78 WeakPolarHBondContact CA-OE1 3.46Å; G50-E78 PolarHBondContact N-OE1 3.43Å
51G83.1Confident81.3Confident5 Ų560.7 Ų60.75%0.05231%0.306CS..Hα-helixtrans-60.6-46.1-175.100000112.2R54 L55 E78G51-R54 PolarHBondContact O-N 2.74Å; G51-L55 PolarHBondContact O-N 3.48Å; G51-E78 PolarHBondContact N-OE1 3.37Å; G51-E78 PolarHBondContact N-OE2 3.1Å
52C84.2Confident80.8Confident0 Ų060.6 Ų60.60%030%0.304CS..Hα-helixtrans-64.9-45177.9-65.40000111.5G50 R54 L55 Q56 E78 L82 T86G50-C52 PolarHBondContact O-N 3.12Å; C52-R54 VanDerWaalsContact C-N 3.31Å; C52-R54 PolarHBondContact O-N 2.96Å; C52-L55 PolarHBondContact O-N 3.17Å; C52-L55 VanDerWaalsContact O-N 3.17Å; C52-Q56 WeakPolarHBondContact O-CG 3.36Å; C52-Q56 PolarHBondContact O-N 3.31Å; C52-E78 WeakPolarHBondContact CB-OE2 3.5Å; C52-E78 PolarHBondContact N-OE2 2.85Å; C52-E78 PolarHBondContact SG-OE2 2.96Å; C52-L82 HydrophobicContact CB-CD1 4.48Å; C52-L82 HydrophobicContact CB-CD2 3.89Å; C52-L82 HydrophobicContact CB-CG 3.74Å; C52-T86 HydrophobicContact CB-CG2 4.29Å; C52-T86 WeakPolarHBondContact CB-OG1 3.26Å
53H84.8Confident80.4Confident116 Ų11659.8 Ų59.854%0.53731%0.305SS..Hα-helixtrans-58.3-41.2174.9-73.4-57.4000112.5G50 Q56 Y57 L82G50-H53 PolarHBondContact O-N 3.04Å; H53-Q56 PolarHBondContact O-N 2.92Å; H53-Y57 WeakPolarHBondContact O-CB 3.31Å; H53-Y57 PolarHBondContact O-N 2.81Å; H53-L82 WeakPolarHBondContact NE2-CD2 3.49Å
54R84.4Confident79.9Confident83 Ų8363.4 Ų63.431%0.31333%0.329SS..Hα-helixtrans-70.7-34.2177.5174.746.395.1145.6171.6112F36 L45 G50 G51 C52 Y57 L58F36-R54 VanDerWaalsContact CZ-NH2 3.34Å; L45-R54 HydrophobicContact CD2-CB 4.4Å; L45-R54 HydrophobicContact CD2-CG 3.79Å; G50-R54 PolarHBondContact O-N 2.74Å; G51-R54 PolarHBondContact O-N 2.74Å; C52-R54 VanDerWaalsContact C-N 3.31Å; C52-R54 PolarHBondContact O-N 2.96Å; R54-Y57 PolarHBondContact O-N 3.36Å; R54-L58 HydrophobicContact CG-CD1 4.41Å; R54-L58 WeakPolarHBondContact O-CG 3.47Å; R54-L58 PolarHBondContact O-N 3.35Å
55L86.1Confident79.4Confident2 Ų264 Ų641%0.0133%0.33CS..Hα-helixtrans-65.9-45.2172.3-170.651.9000111.7L43 L45 G51 C52 Y57 L58 C59 L66 L72 L74 T86 V90L43-L55 HydrophobicContact CD2-CD1 4.12Å; L45-L55 HydrophobicContact CD1-CB 3.7Å; L45-L55 HydrophobicContact CD1-CD1 4.06Å; L45-L55 HydrophobicContact CD1-CG 4.31Å; G51-L55 PolarHBondContact O-N 3.48Å; C52-L55 PolarHBondContact O-N 3.17Å; C52-L55 VanDerWaalsContact O-N 3.17Å; L55-Y57 VanDerWaalsContact C-N 3.34Å; L55-Y57 PolarHBondContact O-N 2.97Å; L55-L58 PolarHBondContact O-N 3.3Å; L55-C59 PolarHBondContact O-N 3.04Å; L55-C59 PolarHBondContact O-SG 2.87Å; L55-L66 HydrophobicContact CD1-CD2 4.35Å; L55-L72 HydrophobicContact CD1-CD1 4.42Å; L55-L72 HydrophobicContact CD2-CD1 4.44Å; L55-L72 HydrophobicContact CD2-CD2 4.42Å; L55-L74 HydrophobicContact CD2-CD2 3.99Å; L55-T86 HydrophobicContact CB-CG2 3.81Å; L55-T86 HydrophobicContact CD2-CG2 3.79Å; L55-T86 HydrophobicContact CG-CG2 3.9Å; L55-V90 HydrophobicContact CD1-CG2 4.4Å; L55-V90 HydrophobicContact CD2-CG2 3.74Å; L55-V90 HydrophobicContact CG-CG2 3.94Å
56Q85.9Confident79.3Confident38 Ų3863.5 Ų63.518%0.17833%0.327CS..Hα-helixtrans-58.6-43.4173.9-69-169.216.800112.2C52 H53 L58 C59 S60 T86 K89C52-Q56 WeakPolarHBondContact O-CG 3.36Å; C52-Q56 PolarHBondContact O-N 3.31Å; H53-Q56 PolarHBondContact O-N 2.92Å; Q56-L58 PolarHBondContact O-N 3.43Å; Q56-C59 PolarHBondContact O-N 2.72Å; Q56-S60 PolarHBondContact O-N 3.43Å; Q56-T86 HydrophobicContact CG-CG2 3.97Å; Q56-T86 WeakPolarHBondContact CG-OG1 3.32Å; Q56-T86 PolarHBondContact NE2-OG1 2.89Å; Q56-K89 HydrophobicContact CG-CD 4.19Å; Q56-K89 VanDerWaalsContact OE1-NZ 3.11Å
57Y84.7Confident79.3Confident96 Ų9666.1 Ų66.138%0.37634%0.341SS..Hα-helixtrans-58.6-48.5175.9178.1-97.1000111.6H53 R54 L55 C59 S60 Q61H53-Y57 WeakPolarHBondContact O-CB 3.31Å; H53-Y57 PolarHBondContact O-N 2.81Å; R54-Y57 PolarHBondContact O-N 3.36Å; L55-Y57 VanDerWaalsContact C-N 3.34Å; L55-Y57 PolarHBondContact O-N 2.97Å; Y57-C59 VanDerWaalsContact C-N 3.35Å; Y57-C59 PolarHBondContact O-N 3.43Å; Y57-S60 PolarHBondContact O-N 3.06Å; Y57-S60 VanDerWaalsContact O-N 3.12Å; Y57-S60 PolarHBondContact O-OG 3.08Å; Y57-Q61 HydrophobicContact CD1-CG 4.44Å; Y57-Q61 HydrophobicContact CD2-CG 4.11Å; Y57-Q61 HydrophobicContact CE1-CG 4.07Å; Y57-Q61 HydrophobicContact CE2-CG 3.71Å; Y57-Q61 HydrophobicContact CG-CG 4.47Å; Y57-Q61 WeakPolarHBondContact O-CG 3.26Å; Y57-Q61 PolarHBondContact O-N 3.38Å
58L83.5Confident79.9Confident10 Ų1064.3 Ų64.35%0.05233%0.329CS..Hα-helixtrans-61.5-40.7177.3-71.5168.8000112.2F36 L43 R54 L55 Q56 S60 Q61 Q62 L66F36-L58 HydrophobicContact CB-CD2 4.21Å; F36-L58 HydrophobicContact CD2-CD2 4.35Å; F36-L58 HydrophobicContact CG-CD2 4.4Å; L43-L58 HydrophobicContact CD1-CD1 3.84Å; L43-L58 HydrophobicContact CD2-CD1 4.03Å; R54-L58 HydrophobicContact CG-CD1 4.41Å; R54-L58 WeakPolarHBondContact O-CG 3.47Å; R54-L58 PolarHBondContact O-N 3.35Å; L55-L58 PolarHBondContact O-N 3.3Å; Q56-L58 PolarHBondContact O-N 3.43Å; L58-S60 VanDerWaalsContact C-N 3.27Å; L58-S60 PolarHBondContact O-N 3.19Å; L58-Q61 PolarHBondContact O-N 3.24Å; L58-Q62 CarbonylContact O-C 3.58Å; L58-Q62 PolarHBondContact O-N 2.78Å; L58-L66 HydrophobicContact CB-CD1 4.3Å; L58-L66 HydrophobicContact CB-CD2 4.21Å; L58-L66 HydrophobicContact CB-CG 4.48Å
59C85.6Confident80.9Confident23 Ų2354.6 Ų54.616%0.15529%0.293CS..Hα-helixtrans-61-37.2174.9-63.90000111.8L55 Q56 Y57 L66L55-C59 PolarHBondContact O-N 3.04Å; L55-C59 PolarHBondContact O-SG 2.87Å; Q56-C59 PolarHBondContact O-N 2.72Å; Y57-C59 VanDerWaalsContact C-N 3.35Å; Y57-C59 PolarHBondContact O-N 3.43Å; C59-L66 HydrophobicContact CB-CD1 4.22Å; C59-L66 VanDerWaalsContact SG-CD1 3.6Å
60S84.4Confident81.9Confident74 Ų7450.8 Ų50.852%0.51726%0.264SS..Hα-helixtrans-75.8-29.6179.678.40000114.6Q56 Y57 L58Q56-S60 PolarHBondContact O-N 3.43Å; Y57-S60 PolarHBondContact O-N 3.06Å; Y57-S60 VanDerWaalsContact O-N 3.12Å; Y57-S60 PolarHBondContact O-OG 3.08Å; L58-S60 VanDerWaalsContact C-N 3.27Å; L58-S60 PolarHBondContact O-N 3.19Å
61Q78.9Confident82.6Confident117 Ų11752.9 Ų52.955%0.54727%0.266SS..Hα-helixtrans-109.1-36.2-170.7-60-51.7-67.600114.5Y57 L58 P63Y57-Q61 HydrophobicContact CD1-CG 4.44Å; Y57-Q61 HydrophobicContact CD2-CG 4.11Å; Y57-Q61 HydrophobicContact CE1-CG 4.07Å; Y57-Q61 HydrophobicContact CE2-CG 3.71Å; Y57-Q61 HydrophobicContact CG-CG 4.47Å; Y57-Q61 WeakPolarHBondContact O-CG 3.26Å; Y57-Q61 PolarHBondContact O-N 3.38Å; L58-Q61 PolarHBondContact O-N 3.24Å; Q61-P63 VanDerWaalsContact C-CD 3.5Å
62Q70.8Confident83Confident48 Ų4852.8 Ų52.822%0.22426%0.264CS..  trans-136.548.1-167.3-67.1179.7-32.900114.2L58 P64 Q65 L66L58-Q62 CarbonylContact O-C 3.58Å; L58-Q62 PolarHBondContact O-N 2.78Å; Q62-P64 VanDerWaalsContact C-CD 3.43Å; Q62-Q65 HydrophobicContact CB-CB 4.39Å; Q62-Q65 HydrophobicContact CB-CG 4.39Å; Q62-Q65 PolarHBondContact O-N 3.28Å; Q62-L66 PolarHBondContact O-N 2.8Å
63P74.9Confident83.3Confident59 Ų5957.1 Ų57.138%0.38328%0.281SS..Hα-helixtrans-51.1-39.8179.317-27.6000116.2Q61 Q65 L66 L67Q61-P63 VanDerWaalsContact C-CD 3.5Å; P63-Q65 PolarHBondContact O-N 2.78Å; P63-L66 PolarHBondContact O-N 3.47Å; P63-L67 PolarHBondContact O-N 2.97Å
64P75.9Confident83.6Confident88 Ų8851.6 Ų51.657%0.57126%0.255SS*.Hα-helixtrans-69.3-17.5179.627.8-36.5000114.3Q62Q62-P64 VanDerWaalsContact C-CD 3.43Å
65Q75.3Confident83.7Confident67 Ų6747.8 Ų47.831%0.31324%0.241SC..Hα-helixtrans-80.8-35.8172.9-62.8-173.510.100111.3L37 Q62 P63 L67 Q68L37-Q65 HydrophobicContact CD1-CB 4.41Å; Q62-Q65 HydrophobicContact CB-CB 4.39Å; Q62-Q65 HydrophobicContact CB-CG 4.39Å; Q62-Q65 PolarHBondContact O-N 3.28Å; P63-Q65 PolarHBondContact O-N 2.78Å; Q65-L67 VanDerWaalsContact C-N 3.27Å; Q65-L67 PolarHBondContact O-N 3.39Å; Q65-Q68 PolarHBondContact O-N 3.36Å; Q65-Q68 VanDerWaalsContact O-N 3.08Å
66L80.6Confident83.6Confident11 Ų1147.7 Ų47.76%0.05824%0.241CC..Hα-helixtrans-60.7-36.3173.6-70.7172.2000112.1L43 L55 L58 C59 Q62 P63 Q68 V69 L94L43-L66 HydrophobicContact CD2-CD2 3.56Å; L55-L66 HydrophobicContact CD1-CD2 4.35Å; L58-L66 HydrophobicContact CB-CD1 4.3Å; L58-L66 HydrophobicContact CB-CD2 4.21Å; L58-L66 HydrophobicContact CB-CG 4.48Å; C59-L66 HydrophobicContact CB-CD1 4.22Å; C59-L66 VanDerWaalsContact SG-CD1 3.6Å; Q62-L66 PolarHBondContact O-N 2.8Å; P63-L66 PolarHBondContact O-N 3.47Å; L66-Q68 PolarHBondContact O-N 2.97Å; L66-V69 HydrophobicContact CD2-CG2 4.41Å; L66-V69 WeakPolarHBondContact O-CB 3.41Å; L66-V69 WeakPolarHBondContact O-CG2 3.36Å; L66-V69 PolarHBondContact O-N 3.32Å; L66-L94 HydrophobicContact CB-CD2 4.33Å
67L80.6Confident83.3Confident66 Ų6648.5 Ų48.535%0.34625%0.245SC..THydrogen-bonded Turntrans-60.8-13.8174.9-64.8176.8000114.6P63 Q65 S93 L94 R96P63-L67 PolarHBondContact O-N 2.97Å; Q65-L67 VanDerWaalsContact C-N 3.27Å; Q65-L67 PolarHBondContact O-N 3.39Å; L67-S93 WeakPolarHBondContact CD2-O 3.36Å; L67-L94 HydrophobicContact CD2-CD2 4.23Å; L67-R96 WeakPolarHBondContact O-CG 3.2Å
68Q82.6Confident83Confident91 Ų9145.3 Ų45.343%0.42523%0.233SC..THydrogen-bonded Turntrans-95.4-7.2174.3-53.3-52.5-48.600113.5N41 Q65 L66 E70N41-Q68 VanDerWaalsContact CB-O 3.32Å; N41-Q68 WeakPolarHBondContact CB-O 3.49Å; N41-Q68 VanDerWaalsContact CG-O 3.25Å; N41-Q68 PolarHBondContact ND2-O 3.17Å; Q65-Q68 PolarHBondContact O-N 3.36Å; Q65-Q68 VanDerWaalsContact O-N 3.08Å; L66-Q68 PolarHBondContact O-N 2.97Å; Q68-E70 PolarHBondContact O-N 2.94Å
69V87.3Confident82.8Confident3 Ų349.3 Ų49.32%0.01825%0.254CS..  trans-68.2122.3-176.7175.70000110.2L37 N41 L43 L66 F71 L72 R96 L97L37-V69 HydrophobicContact CD2-CG2 3.96Å; N41-V69 WeakPolarHBondContact O-CA 3.42Å; L43-V69 HydrophobicContact CB-CG1 3.85Å; L43-V69 HydrophobicContact CB-CG2 4.15Å; L43-V69 HydrophobicContact CD2-CG2 4.17Å; L66-V69 HydrophobicContact CD2-CG2 4.41Å; L66-V69 WeakPolarHBondContact O-CB 3.41Å; L66-V69 WeakPolarHBondContact O-CG2 3.36Å; L66-V69 PolarHBondContact O-N 3.32Å; V69-F71 VanDerWaalsContact CG1-O 3.26Å; V69-F71 WeakPolarHBondContact CG1-O 3.44Å; V69-L72 HydrophobicContact CG1-CB 4.27Å; V69-R96 CarbonylContact O-C 3.49Å; V69-L97 HydrophobicContact CG1-CD1 4.02Å; V69-L97 WeakPolarHBondContact O-CA 3.48Å; V69-L97 PolarHBondContact O-N 3.04Å
70E90.1Very high82.6Confident42 Ų4251 Ų5120%0.19627%0.266CS..SBendtrans-97.3-22.8176.9-67.4-175.7-109.800111.7N41 Q68 R96 R98 S99N41-E70 HydrophobicContact CB-CB 4.17Å; N41-E70 HydrophobicContact CB-CG 4.05Å; N41-E70 PolarHBondContact ND2-OE1 2.98Å; N41-E70 PolarHBondContact O-N 3.29Å; Q68-E70 PolarHBondContact O-N 2.94Å; E70-R96 WeakPolarHBondContact CA-O 3.32Å; E70-R96 HydrophobicContact CG-CB 4.17Å; E70-R96 WeakPolarHBondContact CG-O 3.36Å; E70-R98 HydrophobicContact CB-CG 4.47Å; E70-R98 PolarHBondContact O-N 3.42Å; E70-R98 IonicContact OE2-CZ 3.49Å; E70-R98 IonicContact OE2-NE 2.74Å; E70-R98 PolarHBondContact OE2-NE 3.06Å; E70-R98 IonicContact OE2-NH2 3.32Å; E70-R98 PolarHBondContact OE2-NH2 3.19Å; E70-S99 PolarHBondContact O-N 2.96Å; E70-S99 VanDerWaalsContact O-N 3.1Å
71F90.9Very high82.6Confident71 Ų7155 Ų5531%0.31128%0.276SS..EExtended strand (participates in β ladder)trans-135.3117-179.8-57.8-100000110.1N41 Q42 L43 V69 S99N41-F71 PolarHBondContact O-N 2.89Å; Q42-F71 HydrophobicContact CB-CB 4.31Å; Q42-F71 HydrophobicContact CG-CB 4.1Å; Q42-F71 HydrophobicContact CG-CD2 3.96Å; Q42-F71 HydrophobicContact CG-CG 4.23Å; L43-F71 PolarHBondContact N-O 3.47Å; V69-F71 VanDerWaalsContact CG1-O 3.26Å; V69-F71 WeakPolarHBondContact CG1-O 3.44Å; F71-S99 WeakPolarHBondContact CA-O 3.47Å
72L91.8Very high82.9Confident4 Ų450.9 Ų50.92%0.02126%0.258CS..EExtended strand (participates in β ladder)trans-116.4121.9175.4175.957.3000109.7L43 L55 V69 L97 S99 L100 V101L43-L72 HydrophobicContact CB-CD1 4.14Å; L43-L72 HydrophobicContact CD2-CD1 4Å; L43-L72 HydrophobicContact CG-CD1 3.91Å; L55-L72 HydrophobicContact CD1-CD1 4.42Å; L55-L72 HydrophobicContact CD2-CD1 4.44Å; L55-L72 HydrophobicContact CD2-CD2 4.42Å; V69-L72 HydrophobicContact CG1-CB 4.27Å; L72-L97 HydrophobicContact CB-CD1 3.72Å; L72-S99 PolarHBondContact N-O 3.29Å; L72-L100 HydrophobicContact CB-CD1 4.06Å; L72-L100 HydrophobicContact CD2-CD1 3.89Å; L72-L100 HydrophobicContact CG-CD1 3.96Å; L72-L100 WeakPolarHBondContact O-CA 3.43Å; L72-V101 PolarHBondContact O-N 3.26Å
73R91.2Very high83.7Confident90 Ų9048.6 Ų48.634%0.3425%0.247SC..EExtended strand (participates in β ladder)trans-120.2125.1172.8-53.9177.849.1141.1-8.2109.5L43 N44 L45 D46 V101L43-R73 PolarHBondContact O-N 3.36Å; N44-R73 VanDerWaalsContact OD1-CD 3.31Å; N44-R73 WeakPolarHBondContact OD1-CD 3.45Å; L45-R73 WeakPolarHBondContact CA-O 3.14Å; L45-R73 WeakPolarHBondContact CB-O 3.47Å; L45-R73 PolarHBondContact N-O 2.9Å; D46-R73 HydrophobicContact CB-CB 4.48Å; D46-R73 PolarHBondContact N-O 3.16Å; D46-R73 IonicContact OD1-NE 3.61Å; D46-R73 IonicContact OD2-CZ 3.18Å; D46-R73 IonicContact OD2-NE 2.78Å; D46-R73 PolarHBondContact OD2-NE 3.22Å; D46-R73 IonicContact OD2-NH2 2.72Å; D46-R73 PolarHBondContact OD2-NH2 3.49Å; R73-V101 WeakPolarHBondContact CA-O 3.12Å; R73-V101 HydrophobicContact CB-CB 4.22Å; R73-V101 HydrophobicContact CG-CB 3.97Å; R73-V101 HydrophobicContact CG-CG2 4.09Å
74L89.8Confident84.2Confident0 Ų049.4 Ų49.40%025%0.248CC..EExtended strand (participates in β ladder)trans-134.9137.5177.5-177.269.5000108.6L45 L55 L83 V101 L102 K103L45-L74 HydrophobicContact CB-CD1 4.07Å; L55-L74 HydrophobicContact CD2-CD2 3.99Å; L74-L83 HydrophobicContact CD2-CD1 3.93Å; L74-V101 PolarHBondContact N-O 2.93Å; L74-L102 HydrophobicContact CB-CD2 3.86Å; L74-L102 HydrophobicContact CD2-CD2 4.18Å; L74-L102 WeakPolarHBondContact O-CA 3.4Å; L74-K103 PolarHBondContact O-N 3.08Å; L74-K103 VanDerWaalsContact O-N 3.15Å
75S86.9Confident84.6Confident4 Ų449.4 Ų49.43%0.02824%0.243CC..EExtended strand (participates in β ladder)trans-90.6131174.4-1660000111.3H77 K103S75-H77 VanDerWaalsContact C-N 3.31Å; S75-H77 WeakPolarHBondContact CB-ND1 3.32Å; S75-H77 PolarHBondContact O-N 3.36Å; S75-H77 PolarHBondContact OG-ND1 2.87Å; S75-K103 WeakPolarHBondContact CA-O 3.41Å; S75-K103 PolarHBondContact OG-O 3.43Å
76T83.1Confident85.1Confident0 Ų046.2 Ų46.20%023%0.228CC..THydrogen-bonded Turntrans-90.915.1-174.350.90000113.3L83 L102 K103 G104 G117 T118 L119 N140T76-L83 HydrophobicContact CG2-CD1 4.19Å; T76-L83 HydrophobicContact CG2-CD2 3.84Å; T76-L102 VanDerWaalsContact CG2-C 3.45Å; T76-L102 HydrophobicContact CG2-CB 3.9Å; T76-L102 WeakPolarHBondContact CG2-O 3.26Å; T76-K103 PolarHBondContact N-O 3.5Å; T76-G104 PolarHBondContact OG1-N 3.28Å; T76-G104 VanDerWaalsContact OG1-N 3.08Å; T76-G117 CarbonylContact O-C 3.56Å; T76-G117 WeakPolarHBondContact O-CA 3.37Å; T76-G117 WeakPolarHBondContact OG1-CA 3.28Å; T76-T118 PolarHBondContact O-N 3.02Å; T76-T118 PolarHBondContact O-OG1 3.01Å; T76-L119 HydrophobicContact CG2-CB 4.18Å; T76-L119 HydrophobicContact CG2-CD2 4.48Å; T76-N140 VanDerWaalsContact CB-OD1 3.26Å; T76-N140 WeakPolarHBondContact CB-OD1 3.44Å; T76-N140 PolarHBondContact OG1-OD1 2.83Å
77H81.3Confident85.5Confident55 Ų5545.9 Ų45.926%0.25523%0.227SC..THydrogen-bonded Turntrans-86.8-3.4-178.777.8-81.6000114.2S75 S107 L115S75-H77 VanDerWaalsContact C-N 3.31Å; S75-H77 WeakPolarHBondContact CB-ND1 3.32Å; S75-H77 PolarHBondContact O-N 3.36Å; S75-H77 PolarHBondContact OG-ND1 2.87Å; H77-S107 PolarHBondContact CD2-OG 2.91Å; H77-S107 PolarHBondContact CE1-OG 2.95Å; H77-S107 PolarHBondContact ND1-OG 3.3Å; H77-S107 PolarHBondContact NE2-OG 2.87Å; H77-L115 HydrophobicContact CB-CB 4.49Å
78E77.9Confident85.7Confident28 Ų2846.5 Ų46.513%0.13124%0.241CC..SBendtrans-76.6179.1176.9-57.7-170.6146.100111G50 G51 C52 T118G50-E78 VanDerWaalsContact CA-OE1 3.26Å; G50-E78 WeakPolarHBondContact CA-OE1 3.46Å; G50-E78 PolarHBondContact N-OE1 3.43Å; G51-E78 PolarHBondContact N-OE1 3.37Å; G51-E78 PolarHBondContact N-OE2 3.1Å; C52-E78 WeakPolarHBondContact CB-OE2 3.5Å; C52-E78 PolarHBondContact N-OE2 2.85Å; C52-E78 PolarHBondContact SG-OE2 2.96Å; E78-T118 PolarHBondContact O-OG1 2.88Å
79D79.4Confident85.9Confident94 Ų9446.6 Ų46.650%0.50324%0.24SC..  trans-53.2129.9-178.2-171.6-56000111.2Q81 L82 L83D79-Q81 VanDerWaalsContact C-N 3.26Å; D79-Q81 PolarHBondContact O-N 3.14Å; D79-Q81 WeakPolarHBondContact OD1-CB 3.49Å; D79-Q81 PolarHBondContact OD1-N 2.85Å; D79-L82 HydrophobicContact CB-CB 3.93Å; D79-L82 PolarHBondContact O-N 2.85Å; D79-L82 VanDerWaalsContact O-N 3.08Å; D79-L83 PolarHBondContact O-N 3.02Å
80P81.7Confident85.8Confident60 Ų6046.8 Ų46.839%0.3924%0.241SC..Hα-helixtrans-53.1-43.2179.9-18.724.9000112.8L82 L83 D84 T118P80-L82 VanDerWaalsContact C-N 3.34Å; P80-L82 PolarHBondContact O-N 2.74Å; P80-L83 PolarHBondContact O-N 2.81Å; P80-D84 PolarHBondContact O-N 3.39Å; P80-T118 HydrophobicContact CB-CG2 4.45Å; P80-T118 HydrophobicContact CG-CG2 3.73Å
81Q83.8Confident85.3Confident157 Ų15746.9 Ų46.973%0.73425%0.246SC*.Hα-helixtrans-65.3-41.7-179.4-61.6-172.2-2.900110.3D79 L83 D84 D85D79-Q81 VanDerWaalsContact C-N 3.26Å; D79-Q81 PolarHBondContact O-N 3.14Å; D79-Q81 WeakPolarHBondContact OD1-CB 3.49Å; D79-Q81 PolarHBondContact OD1-N 2.85Å; Q81-L83 PolarHBondContact O-N 3.1Å; Q81-D84 PolarHBondContact O-N 2.85Å; Q81-D85 VanDerWaalsContact O-CB 3.26Å; Q81-D85 WeakPolarHBondContact O-CB 3.47Å; Q81-D85 PolarHBondContact O-N 3.17Å
82L85.7Confident84.9Confident31 Ų3144.5 Ų44.516%0.16223%0.234CC..Hα-helixtrans-64.8-38.4177.1-178.865.6000112.2C52 H53 D79 P80 T86C52-L82 HydrophobicContact CB-CD1 4.48Å; C52-L82 HydrophobicContact CB-CD2 3.89Å; C52-L82 HydrophobicContact CB-CG 3.74Å; H53-L82 WeakPolarHBondContact NE2-CD2 3.49Å; D79-L82 HydrophobicContact CB-CB 3.93Å; D79-L82 PolarHBondContact O-N 2.85Å; D79-L82 VanDerWaalsContact O-N 3.08Å; P80-L82 VanDerWaalsContact C-N 3.34Å; P80-L82 PolarHBondContact O-N 2.74Å; L82-T86 WeakPolarHBondContact O-CB 3.22Å; L82-T86 PolarHBondContact O-N 3.32Å; L82-T86 PolarHBondContact O-OG1 3.01Å
83L86.1Confident84.2Confident0 Ų047.5 Ų47.50%026%0.256CS..Hα-helixtrans-64.7-50.8176.9178.561.9000110.7L74 T76 D79 P80 Q81 T86 L87 T118 L119L74-L83 HydrophobicContact CD2-CD1 3.93Å; T76-L83 HydrophobicContact CG2-CD1 4.19Å; T76-L83 HydrophobicContact CG2-CD2 3.84Å; D79-L83 PolarHBondContact O-N 3.02Å; P80-L83 PolarHBondContact O-N 2.81Å; Q81-L83 PolarHBondContact O-N 3.1Å; L83-T86 WeakPolarHBondContact O-CA 3.43Å; L83-T86 WeakPolarHBondContact O-CB 3.29Å; L83-T86 PolarHBondContact O-N 2.86Å; L83-L87 HydrophobicContact CD1-CD1 4.06Å; L83-L87 HydrophobicContact CD1-CG 4.24Å; L83-L87 HydrophobicContact CG-CD1 4.09Å; L83-L87 WeakPolarHBondContact O-CG 3.34Å; L83-L87 PolarHBondContact O-N 3.08Å; L83-T118 WeakPolarHBondContact CD2-OG1 3.45Å; L83-L119 HydrophobicContact CD2-CB 4.16Å; L83-L119 HydrophobicContact CD2-CD1 3.96Å; L83-L119 HydrophobicContact CG-CD1 4.45Å
84D85.5Confident83.6Confident76 Ų7643.5 Ų43.541%0.40624%0.241SC..Hα-helixtrans-62-45.9178.8-68-20.7000111.4P80 Q81 T86 L87 A88P80-D84 PolarHBondContact O-N 3.39Å; Q81-D84 PolarHBondContact O-N 2.85Å; D84-T86 PolarHBondContact O-N 3.37Å; D84-L87 PolarHBondContact O-N 3.26Å; D84-A88 VanDerWaalsContact O-CB 3.3Å; D84-A88 WeakPolarHBondContact O-CB 3.45Å; D84-A88 PolarHBondContact O-N 3.37Å
85D85.3Confident83Confident87 Ų8748.7 Ų48.747%0.46527%0.268SS..Hα-helixtrans-58.9-29174-120.331.4000112.3Q81 K89Q81-D85 VanDerWaalsContact O-CB 3.26Å; Q81-D85 WeakPolarHBondContact O-CB 3.47Å; Q81-D85 PolarHBondContact O-N 3.17Å; D85-K89 VanDerWaalsContact CG-NZ 3.3Å; D85-K89 WeakPolarHBondContact O-CB 3.46Å; D85-K89 WeakPolarHBondContact O-CD 3.49Å; D85-K89 WeakPolarHBondContact O-CE 3.36Å; D85-K89 WeakPolarHBondContact O-CG 3.47Å; D85-K89 PolarHBondContact O-N 3.04Å; D85-K89 WeakPolarHBondContact OD2-CE 3.48Å; D85-K89 IonicContact OD2-NZ 2.63Å; D85-K89 PolarHBondContact OD2-NZ 3.15Å
86T86.8Confident82.9Confident0 Ų055.5 Ų55.50%029%0.293CS..Hα-helixtrans-78.6-49.6178.1-58.80000110.7C52 L55 Q56 L82 L83 D84 A88 K89 V90C52-T86 HydrophobicContact CB-CG2 4.29Å; C52-T86 WeakPolarHBondContact CB-OG1 3.26Å; L55-T86 HydrophobicContact CB-CG2 3.81Å; L55-T86 HydrophobicContact CD2-CG2 3.79Å; L55-T86 HydrophobicContact CG-CG2 3.9Å; Q56-T86 HydrophobicContact CG-CG2 3.97Å; Q56-T86 WeakPolarHBondContact CG-OG1 3.32Å; Q56-T86 PolarHBondContact NE2-OG1 2.89Å; L82-T86 WeakPolarHBondContact O-CB 3.22Å; L82-T86 PolarHBondContact O-N 3.32Å; L82-T86 PolarHBondContact O-OG1 3.01Å; L83-T86 WeakPolarHBondContact O-CA 3.43Å; L83-T86 WeakPolarHBondContact O-CB 3.29Å; L83-T86 PolarHBondContact O-N 2.86Å; D84-T86 PolarHBondContact O-N 3.37Å; T86-A88 PolarHBondContact O-N 2.93Å; T86-K89 PolarHBondContact O-N 2.87Å; T86-V90 WeakPolarHBondContact O-CG2 3.45Å; T86-V90 PolarHBondContact O-N 3.01Å
87L87Confident83.3Confident5 Ų555.5 Ų55.53%0.02629%0.293CS..Hα-helixtrans-63.5-29.5178.3-64.2173.7000111.8L83 D84 W92 L102 L119 P123L83-L87 HydrophobicContact CD1-CD1 4.06Å; L83-L87 HydrophobicContact CD1-CG 4.24Å; L83-L87 HydrophobicContact CG-CD1 4.09Å; L83-L87 WeakPolarHBondContact O-CG 3.34Å; L83-L87 PolarHBondContact O-N 3.08Å; D84-L87 PolarHBondContact O-N 3.26Å; L87-W92 HydrophobicContact CB-CZ2 4.26Å; L87-W92 HydrophobicContact CD2-CH2 3.91Å; L87-W92 HydrophobicContact CD2-CZ2 3.71Å; L87-W92 PolarHBondContact O-NE1 3.31Å; L87-L102 HydrophobicContact CD2-CD1 4.04Å; L87-L102 HydrophobicContact CD2-CD2 4.19Å; L87-L119 HydrophobicContact CD1-CD1 3.55Å; L87-P123 HydrophobicContact CB-CG 4.23Å
88A86.4Confident83.8Confident79 Ų7958.7 Ų58.765%0.65330%0.303SS*.Hα-helixtrans-72.6-25.1171.500000114.1D84 T86D84-A88 VanDerWaalsContact O-CB 3.3Å; D84-A88 WeakPolarHBondContact O-CB 3.45Å; D84-A88 PolarHBondContact O-N 3.37Å; T86-A88 PolarHBondContact O-N 2.93Å
89K85.4Confident84.6Confident93 Ų9358 Ų5840%0.40430%0.302SS..Hα-helixtrans-94.3-13.5179.2-70.2166.2-157.81560113.8Q56 D85 T86 P91Q56-K89 HydrophobicContact CG-CD 4.19Å; Q56-K89 VanDerWaalsContact OE1-NZ 3.11Å; D85-K89 VanDerWaalsContact CG-NZ 3.3Å; D85-K89 WeakPolarHBondContact O-CB 3.46Å; D85-K89 WeakPolarHBondContact O-CD 3.49Å; D85-K89 WeakPolarHBondContact O-CE 3.36Å; D85-K89 WeakPolarHBondContact O-CG 3.47Å; D85-K89 PolarHBondContact O-N 3.04Å; D85-K89 WeakPolarHBondContact OD2-CE 3.48Å; D85-K89 IonicContact OD2-NZ 2.63Å; D85-K89 PolarHBondContact OD2-NZ 3.15Å; T86-K89 PolarHBondContact O-N 2.87Å; K89-P91 WeakPolarHBondContact O-CD 3.45Å
90V84.8Confident85.4Confident7 Ų753.6 Ų53.64%0.04228%0.278CS..SBendtrans-68.1125.3173.7168.20000109.5L55 T86 W92 L94L55-V90 HydrophobicContact CD1-CG2 4.4Å; L55-V90 HydrophobicContact CD2-CG2 3.74Å; L55-V90 HydrophobicContact CG-CG2 3.94Å; T86-V90 WeakPolarHBondContact O-CG2 3.45Å; T86-V90 PolarHBondContact O-N 3.01Å; V90-W92 HydrophobicContact CB-CD2 4.38Å; V90-W92 HydrophobicContact CB-CH2 4.38Å; V90-W92 HydrophobicContact CB-CZ2 3.8Å; V90-W92 HydrophobicContact CG1-CD2 3.75Å; V90-W92 HydrophobicContact CG1-CE3 3.92Å; V90-W92 HydrophobicContact CG1-CG 4.35Å; V90-W92 HydrophobicContact CG1-CH2 3.94Å; V90-W92 HydrophobicContact CG1-CZ2 3.75Å; V90-W92 HydrophobicContact CG1-CZ3 4.01Å; V90-W92 HydrophobicContact CG2-CZ2 4.39Å; V90-W92 PolarHBondContact O-N 2.99Å; V90-W92 PolarHBondContact O-NE1 2.77Å; V90-L94 HydrophobicContact CG1-CD1 4.2Å
91P80.8Confident85.9Confident44 Ų4451.1 Ų51.129%0.28626%0.262SS..  trans-76.195.3173.430.6-32.6000109.3K89 S93 L94K89-P91 WeakPolarHBondContact O-CD 3.45Å; P91-S93 PolarHBondContact O-N 3.43Å; P91-L94 WeakPolarHBondContact O-CD2 3.13Å; P91-L94 VanDerWaalsContact O-CG 3.29Å; P91-L94 WeakPolarHBondContact O-CG 3.36Å
92W81.9Confident86.3Confident20 Ų2043.7 Ų43.78%0.07623%0.227CC..  trans-65.53.8-175.9-63103000115.9L87 V90 L94 L100 P123 G125 L126 L129L87-W92 HydrophobicContact CB-CZ2 4.26Å; L87-W92 HydrophobicContact CD2-CH2 3.91Å; L87-W92 HydrophobicContact CD2-CZ2 3.71Å; L87-W92 PolarHBondContact O-NE1 3.31Å; V90-W92 HydrophobicContact CB-CD2 4.38Å; V90-W92 HydrophobicContact CB-CH2 4.38Å; V90-W92 HydrophobicContact CB-CZ2 3.8Å; V90-W92 HydrophobicContact CG1-CD2 3.75Å; V90-W92 HydrophobicContact CG1-CE3 3.92Å; V90-W92 HydrophobicContact CG1-CG 4.35Å; V90-W92 HydrophobicContact CG1-CH2 3.94Å; V90-W92 HydrophobicContact CG1-CZ2 3.75Å; V90-W92 HydrophobicContact CG1-CZ3 4.01Å; V90-W92 HydrophobicContact CG2-CZ2 4.39Å; V90-W92 PolarHBondContact O-N 2.99Å; V90-W92 PolarHBondContact O-NE1 2.77Å; W92-L94 PolarHBondContact O-N 2.81Å; W92-L100 HydrophobicContact CH2-CD2 4.3Å; W92-L100 HydrophobicContact CZ3-CD2 3.9Å; W92-P123 HydrophobicContact CZ2-CG 3.84Å; W92-G125 WeakPolarHBondContact CB-O 3.36Å; W92-L126 HydrophobicContact CD2-CB 4.48Å; W92-L126 HydrophobicContact CE3-CD1 4.24Å; W92-L126 HydrophobicContact CE3-CG 4.15Å; W92-L126 HydrophobicContact CH2-CD1 4.02Å; W92-L126 HydrophobicContact CZ2-CD1 4.39Å; W92-L126 HydrophobicContact CZ3-CD1 3.94Å; W92-L126 HydrophobicContact CZ3-CG 4.27Å; W92-L129 HydrophobicContact CE3-CD1 4.06Å; W92-L129 HydrophobicContact CZ3-CD1 4.42Å; W92-L129 WeakPolarHBondContact O-CD2 3.16Å
93S77.1Confident86.4Confident68 Ų6844.3 Ų44.348%0.47623%0.229SC..  trans-68.128.916453.20000114L67 P91 L95L67-S93 WeakPolarHBondContact CD2-O 3.36Å; P91-S93 PolarHBondContact O-N 3.43Å; S93-L95 PolarHBondContact O-N 3.01Å
94L78.6Confident86.1Confident5 Ų544.4 Ų44.43%0.02623%0.229CC..  trans-76.464177.9-52-175000110.5L66 L67 V90 P91 W92 R96 L97 L129L66-L94 HydrophobicContact CB-CD2 4.33Å; L67-L94 HydrophobicContact CD2-CD2 4.23Å; V90-L94 HydrophobicContact CG1-CD1 4.2Å; P91-L94 WeakPolarHBondContact O-CD2 3.13Å; P91-L94 VanDerWaalsContact O-CG 3.29Å; P91-L94 WeakPolarHBondContact O-CG 3.36Å; W92-L94 PolarHBondContact O-N 2.81Å; L94-R96 PolarHBondContact O-N 2.6Å; L94-L97 HydrophobicContact CB-CB 3.91Å; L94-L97 HydrophobicContact CD1-CD2 4.18Å; L94-L97 WeakPolarHBondContact O-CB 3.09Å; L94-L97 PolarHBondContact O-N 2.63Å; L94-L129 HydrophobicContact CB-CD2 3.91Å
95L78.3Confident85.5Confident110 Ų11041.4 Ų41.458%0.57622%0.216SC*.THydrogen-bonded Turntrans-61.1-3.4-176.5-61.6177.1000114.9S93S93-L95 PolarHBondContact O-N 3.01Å
96R85.3Confident84.8Confident146 Ų14640.6 Ų40.655%0.55121%0.21SC*.THydrogen-bonded Turntrans-100.1-13.5171.8-66.4-56.3-170.6-170.70.4113.9L67 V69 E70 L94 R98L67-R96 WeakPolarHBondContact O-CG 3.2Å; V69-R96 CarbonylContact O-C 3.49Å; E70-R96 WeakPolarHBondContact CA-O 3.32Å; E70-R96 HydrophobicContact CG-CB 4.17Å; E70-R96 WeakPolarHBondContact CG-O 3.36Å; L94-R96 PolarHBondContact O-N 2.6Å; R96-R98 PolarHBondContact O-N 2.87Å; R96-R98 VanDerWaalsContact O-N 3.17Å
97L90.5Very high83.9Confident0 Ų042.3 Ų42.30%022%0.222CC..  trans-67116.1-174.1-16570.8000110.8V69 L72 L94 S99 L100 L129 C131 L132V69-L97 HydrophobicContact CG1-CD1 4.02Å; V69-L97 WeakPolarHBondContact O-CA 3.48Å; V69-L97 PolarHBondContact O-N 3.04Å; L72-L97 HydrophobicContact CB-CD1 3.72Å; L94-L97 HydrophobicContact CB-CB 3.91Å; L94-L97 HydrophobicContact CD1-CD2 4.18Å; L94-L97 WeakPolarHBondContact O-CB 3.09Å; L94-L97 PolarHBondContact O-N 2.63Å; L97-S99 WeakPolarHBondContact CD1-O 3.49Å; L97-L100 HydrophobicContact CD2-CB 4.11Å; L97-L100 HydrophobicContact CD2-CD1 4.35Å; L97-L129 HydrophobicContact CB-CD2 4.33Å; L97-L129 HydrophobicContact CD2-CD1 4.06Å; L97-L129 HydrophobicContact CD2-CD2 4.44Å; L97-C131 CarbonylContact O-C 3.52Å; L97-C131 VanDerWaalsContact O-C 3.3Å; L97-L132 HydrophobicContact CB-CD1 4.47Å; L97-L132 HydrophobicContact CD2-CD1 4.02Å; L97-L132 HydrophobicContact CG-CD1 3.91Å; L97-L132 WeakPolarHBondContact O-CA 3.47Å; L97-L132 PolarHBondContact O-N 3.21Å
98R92.4Very high83.3Confident122 Ų12250.6 Ų50.646%0.4625%0.253SS..  trans-99.2-29.9177.2-58.5-179.3-174.4-84.81.5112.3E70 R96 A133 H134E70-R98 HydrophobicContact CB-CG 4.47Å; E70-R98 PolarHBondContact O-N 3.42Å; E70-R98 IonicContact OE2-CZ 3.49Å; E70-R98 IonicContact OE2-NE 2.74Å; E70-R98 PolarHBondContact OE2-NE 3.06Å; E70-R98 IonicContact OE2-NH2 3.32Å; E70-R98 PolarHBondContact OE2-NH2 3.19Å; R96-R98 PolarHBondContact O-N 2.87Å; R96-R98 VanDerWaalsContact O-N 3.17Å; R98-A133 PolarHBondContact O-N 2.79Å; R98-H134 PolarHBondContact O-N 3.18Å
99S94.7Very high82.5Confident15 Ų1548.1 Ų48.111%0.10523%0.234CC..EExtended strand (participates in β ladder)trans-136.6126-173.7-1760000110.7E70 F71 L72 L97 H134E70-S99 PolarHBondContact O-N 2.96Å; E70-S99 VanDerWaalsContact O-N 3.1Å; F71-S99 WeakPolarHBondContact CA-O 3.47Å; L72-S99 PolarHBondContact N-O 3.29Å; L97-S99 WeakPolarHBondContact CD1-O 3.49Å; S99-H134 WeakPolarHBondContact CA-O 3.48Å; S99-H134 PolarHBondContact OG-CD2 3.49Å
100L94.8Very high81.7Confident0 Ų049.3 Ų49.30%026%0.261CS..EExtended strand (participates in β ladder)trans-126.8120176.4179.457.9000109.2L72 W92 L97 L102 L126 L132 H134 L135 D136L72-L100 HydrophobicContact CB-CD1 4.06Å; L72-L100 HydrophobicContact CD2-CD1 3.89Å; L72-L100 HydrophobicContact CG-CD1 3.96Å; L72-L100 WeakPolarHBondContact O-CA 3.43Å; W92-L100 HydrophobicContact CH2-CD2 4.3Å; W92-L100 HydrophobicContact CZ3-CD2 3.9Å; L97-L100 HydrophobicContact CD2-CB 4.11Å; L97-L100 HydrophobicContact CD2-CD1 4.35Å; L100-L102 HydrophobicContact CD1-CD1 4.38Å; L100-L102 HydrophobicContact CD1-CD2 3.88Å; L100-L102 HydrophobicContact CD1-CG 3.91Å; L100-L102 HydrophobicContact CD2-CD1 4.19Å; L100-L102 HydrophobicContact CD2-CG 4.47Å; L100-L102 HydrophobicContact CG-CD1 4.3Å; L100-L102 HydrophobicContact CG-CG 4.02Å; L100-L126 HydrophobicContact CD2-CD1 3.79Å; L100-L126 HydrophobicContact CD2-CD2 4.48Å; L100-L126 HydrophobicContact CD2-CG 4.34Å; L100-L132 HydrophobicContact CB-CD1 3.76Å; L100-L132 HydrophobicContact CB-CD2 4.26Å; L100-H134 PolarHBondContact N-O 2.9Å; L100-L135 HydrophobicContact CB-CD1 4.01Å; L100-L135 HydrophobicContact CD2-CD1 3.97Å; L100-L135 HydrophobicContact CG-CD1 4.01Å; L100-L135 WeakPolarHBondContact O-CA 3.42Å; L100-D136 PolarHBondContact O-N 2.9Å
101V93.9Very high81.3Confident9 Ų957.1 Ų57.16%0.05530%0.302CS..EExtended strand (participates in β ladder)trans-120.2108.5178.31800000108L72 R73 L74 K103 D136L72-V101 PolarHBondContact O-N 3.26Å; R73-V101 WeakPolarHBondContact CA-O 3.12Å; R73-V101 HydrophobicContact CB-CB 4.22Å; R73-V101 HydrophobicContact CG-CB 3.97Å; R73-V101 HydrophobicContact CG-CG2 4.09Å; L74-V101 PolarHBondContact N-O 2.93Å; V101-K103 HydrophobicContact CG1-CB 3.61Å; V101-K103 HydrophobicContact CG1-CD 4.3Å; V101-D136 HydrophobicContact CB-CB 4.42Å; V101-D136 HydrophobicContact CG1-CB 4.15Å; V101-D136 HydrophobicContact CG2-CB 4.15Å
102L92.3Very high80.9Confident0 Ų056.6 Ų56.60%031%0.305CS..EExtended strand (participates in β ladder)trans-114.676.4176.5-61179.2000107.8L74 T76 L87 L100 L119 L122 D136 L137 N140L74-L102 HydrophobicContact CB-CD2 3.86Å; L74-L102 HydrophobicContact CD2-CD2 4.18Å; L74-L102 WeakPolarHBondContact O-CA 3.4Å; T76-L102 VanDerWaalsContact CG2-C 3.45Å; T76-L102 HydrophobicContact CG2-CB 3.9Å; T76-L102 WeakPolarHBondContact CG2-O 3.26Å; L87-L102 HydrophobicContact CD2-CD1 4.04Å; L87-L102 HydrophobicContact CD2-CD2 4.19Å; L100-L102 HydrophobicContact CD1-CD1 4.38Å; L100-L102 HydrophobicContact CD1-CD2 3.88Å; L100-L102 HydrophobicContact CD1-CG 3.91Å; L100-L102 HydrophobicContact CD2-CD1 4.19Å; L100-L102 HydrophobicContact CD2-CG 4.47Å; L100-L102 HydrophobicContact CG-CD1 4.3Å; L100-L102 HydrophobicContact CG-CG 4.02Å; L102-L119 HydrophobicContact CB-CD2 4.22Å; L102-L122 HydrophobicContact CD1-CD2 3.61Å; L102-D136 PolarHBondContact N-O 3.48Å; L102-L137 HydrophobicContact CB-CD2 3.95Å; L102-L137 HydrophobicContact CD1-CD2 4.25Å; L102-L137 HydrophobicContact CG-CD2 4.45Å; L102-N140 PolarHBondContact O-ND2 2.88Å
103K87.2Confident80.5Confident45 Ų4558.7 Ų58.720%0.19633%0.326CS..EExtended strand (participates in β ladder)trans-121132.2-158.9178.2142.6176.8163.30113.9L74 S75 T76 V101 D136L74-K103 PolarHBondContact O-N 3.08Å; L74-K103 VanDerWaalsContact O-N 3.15Å; S75-K103 WeakPolarHBondContact CA-O 3.41Å; S75-K103 PolarHBondContact OG-O 3.43Å; T76-K103 PolarHBondContact N-O 3.5Å; V101-K103 HydrophobicContact CG1-CB 3.61Å; V101-K103 HydrophobicContact CG1-CD 4.3Å; K103-D136 WeakPolarHBondContact CD-OD2 3.26Å; K103-D136 WeakPolarHBondContact CE-OD2 3.38Å; K103-D136 IonicContact NZ-OD1 2.87Å; K103-D136 PolarHBondContact NZ-OD1 2.97Å; K103-D136 IonicContact NZ-OD2 2.89Å; K103-D136 PolarHBondContact NZ-OD2 2.92Å
104G79.3Confident80.4Confident1 Ų157.7 Ų57.71%0.0132%0.319CS..  trans-81.3-168.816800000112.3T76 Q106 S138 F139T76-G104 PolarHBondContact OG1-N 3.28Å; T76-G104 VanDerWaalsContact OG1-N 3.08Å; G104-Q106 PolarHBondContact O-N 3.22Å; G104-S138 PolarHBondContact N-O 3.46Å; G104-F139 WeakPolarHBondContact CA-O 3.35Å
105G72.8Confident80.4Confident13 Ų1361 Ų6113%0.13434%0.336CS..SBendtrans73.7-8.6166.900000117.1C114 L115G105-C114 WeakPolarHBondContact O-CB 3.38Å; G105-L115 WeakPolarHBondContact CA-O 3.19Å; G105-L115 PolarHBondContact N-O 2.91Å
106Q70.4Confident80.6Confident71 Ų7159.6 Ų59.633%0.33233%0.326SS..SBendtrans-69.5-47.3173.2-59.9-166.346.300111.2D46 G104D46-Q106 PolarHBondContact OD2-NE2 3.05Å; D46-Q106 PolarHBondContact OD2-OE1 3.49Å; G104-Q106 PolarHBondContact O-N 3.22Å
107S67.3Low80.5Confident35 Ų3552.6 Ų52.625%0.24530%0.3CS..SBendtrans-69.7135.6170.5-60.60000110.8H77 L115H77-S107 PolarHBondContact CD2-OG 2.91Å; H77-S107 PolarHBondContact CE1-OG 2.95Å; H77-S107 PolarHBondContact ND1-OG 3.3Å; H77-S107 PolarHBondContact NE2-OG 2.87Å; S107-L115 WeakPolarHBondContact O-CB 3.39Å; S107-L115 PolarHBondContact O-N 2.87Å
108R74.4Confident80.3Confident180 Ų18053.5 Ų53.568%0.67931%0.305SS*.BIsolated β-bridgetrans-106.8139.7174-67.5176.7179.1-130.59.6110.4G112 A113R108-G112 WeakPolarHBondContact CD-O 3.47Å; R108-G112 PolarHBondContact NH1-O 2.93Å; R108-A113 CarbonylContact C-O 3.15Å; R108-A113 WeakPolarHBondContact CA-O 3.39Å
109G70.1Confident80.1Confident26 Ų2647.7 Ų47.727%0.26828%0.283SS..  trans-73.8174.6172.200000112.2L111 G112 A113G109-L111 PolarHBondContact O-N 2.86Å; G109-G112 PolarHBondContact O-N 2.91Å; G109-A113 PolarHBondContact N-O 2.91Å
110A69.6Low79.7Confident118 Ų11850.3 Ų50.398%0.97530%0.299SS*.THydrogen-bonded Turntrans-57.8-21.4-178.500000114.7
111L75.6Confident79.4Confident172 Ų17254.2 Ų54.290%0.90132%0.323SS*.THydrogen-bonded Turntrans-93.713.4175.2-60175.9000113.4G109 A113G109-L111 PolarHBondContact O-N 2.86Å; L111-A113 PolarHBondContact O-N 2.57Å; L111-A113 VanDerWaalsContact O-N 3.14Å
112G72.2Confident79.1Confident33 Ų3354.6 Ų54.634%0.3433%0.325SS..SBendtrans76.1-8.4178.700000116R108 G109R108-G112 WeakPolarHBondContact CD-O 3.47Å; R108-G112 PolarHBondContact NH1-O 2.93Å; G109-G112 PolarHBondContact O-N 2.91Å
113A73.1Confident78.9Confident63 Ų6356.1 Ų56.152%0.52134%0.335SS..  trans-72.1144.5177.500000112.7R108 G109 L111 L115R108-A113 CarbonylContact C-O 3.15Å; R108-A113 WeakPolarHBondContact CA-O 3.39Å; G109-A113 PolarHBondContact N-O 2.91Å; L111-A113 PolarHBondContact O-N 2.57Å; L111-A113 VanDerWaalsContact O-N 3.14Å; A113-L115 PolarHBondContact O-N 3.49Å
114C76.6Confident78.6Confident48 Ų4857.7 Ų57.732%0.32436%0.356SS..BIsolated β-bridgetrans-71.1124.1-178.1-57.60000111.9G105 H116G105-C114 WeakPolarHBondContact O-CB 3.38Å; C114-H116 PolarHBondContact O-N 2.7Å; C114-H116 PolarHBondContact O-ND1 3.46Å
115L78.4Confident78.7Confident75 Ų7559.1 Ų59.139%0.39337%0.37SS..  trans-73.6113.6-179.1-63.1-179.8000110.5H77 G105 S107 A113H77-L115 HydrophobicContact CB-CB 4.49Å; G105-L115 WeakPolarHBondContact CA-O 3.19Å; G105-L115 PolarHBondContact N-O 2.91Å; S107-L115 WeakPolarHBondContact O-CB 3.39Å; S107-L115 PolarHBondContact O-N 2.87Å; A113-L115 PolarHBondContact O-N 3.49Å
116H82.3Confident79.3Confident79 Ų7958.5 Ų58.537%0.36636%0.364SS..  trans-70.6131.5177.9-72.753.4000110.7C114 R141C114-H116 PolarHBondContact O-N 2.7Å; C114-H116 PolarHBondContact O-ND1 3.46Å; H116-R141 PolarHBondContact O-NH2 2.85Å
117G83.5Confident80Confident0 Ų056.3 Ų56.30%036%0.356CS..  trans-61.5164.7177.800000112.8T76 F139 R141T76-G117 CarbonylContact O-C 3.56Å; T76-G117 WeakPolarHBondContact O-CA 3.37Å; T76-G117 WeakPolarHBondContact OG1-CA 3.28Å; G117-F139 PolarHBondContact N-O 2.8Å; G117-R141 WeakPolarHBondContact O-CG 3.32Å; G117-R141 PolarHBondContact O-NE 2.95Å; G117-R141 PolarHBondContact O-NH2 2.9Å
118T85.9Confident80.8Confident18 Ų1859.9 Ų59.911%0.1137%0.373CS..  trans-95.7-10.8-172.552.20000113.5T76 E78 P80 L83 T120T76-T118 PolarHBondContact O-N 3.02Å; T76-T118 PolarHBondContact O-OG1 3.01Å; E78-T118 PolarHBondContact O-OG1 2.88Å; P80-T118 HydrophobicContact CB-CG2 4.45Å; P80-T118 HydrophobicContact CG-CG2 3.73Å; L83-T118 WeakPolarHBondContact CD2-OG1 3.45Å; T118-T120 PolarHBondContact O-N 2.85Å
119L87.7Confident81.4Confident0 Ų051.4 Ų51.40%034%0.341CS..  trans-60.2125.1-174.5-165.577.1000112.3T76 L83 L87 L102 T121 L122 L137 N140 R141 L142T76-L119 HydrophobicContact CG2-CB 4.18Å; T76-L119 HydrophobicContact CG2-CD2 4.48Å; L83-L119 HydrophobicContact CD2-CB 4.16Å; L83-L119 HydrophobicContact CD2-CD1 3.96Å; L83-L119 HydrophobicContact CG-CD1 4.45Å; L87-L119 HydrophobicContact CD1-CD1 3.55Å; L102-L119 HydrophobicContact CB-CD2 4.22Å; L119-T121 VanDerWaalsContact CD1-O 3.27Å; L119-T121 WeakPolarHBondContact CD1-O 3.04Å; L119-T121 WeakPolarHBondContact CG-O 3.46Å; L119-L122 HydrophobicContact CD1-CD2 4.4Å; L119-L122 HydrophobicContact CD2-CD2 4.01Å; L119-L137 HydrophobicContact CD2-CD2 4.14Å; L119-N140 HydrophobicContact CB-CB 4.09Å; L119-N140 WeakPolarHBondContact CB-OD1 3.3Å; L119-R141 CarbonylContact O-C 3.44Å; L119-R141 PolarHBondContact O-N 3.4Å; L119-L142 HydrophobicContact CG-CD2 4.44Å
120T86.9Confident82Confident71 Ų7153.8 Ų53.844%0.43636%0.358SS..  trans-115-26.3177.254.30000113.2T118 R141 L142T118-T120 PolarHBondContact O-N 2.85Å; T120-R141 HydrophobicContact CG2-CB 4.4Å; T120-L142 VanDerWaalsContact C-CD2 3.44Å; T120-L142 WeakPolarHBondContact O-CD2 3.44Å
121T88.1Confident83Confident81 Ų8151.2 Ų51.250%0.49733%0.333SS..  trans-144.1-179.1-178.463.70000110.9L119L119-T121 VanDerWaalsContact CD1-O 3.27Å; L119-T121 WeakPolarHBondContact CD1-O 3.04Å; L119-T121 WeakPolarHBondContact CG-O 3.46Å
122L88.3Confident83.8Confident17 Ų1743 Ų439%0.08929%0.29CS..  trans-131.2150.7171.6-73.9175.9000110.2L102 L119 L126 L137 P146 V149L102-L122 HydrophobicContact CD1-CD2 3.61Å; L119-L122 HydrophobicContact CD1-CD2 4.4Å; L119-L122 HydrophobicContact CD2-CD2 4.01Å; L122-L126 HydrophobicContact CB-CD1 4.33Å; L122-L126 HydrophobicContact CD1-CD1 4.1Å; L122-L126 HydrophobicContact CD1-CD2 4.49Å; L122-L126 HydrophobicContact CD2-CD1 4.01Å; L122-L126 HydrophobicContact CG-CD1 4.38Å; L122-L137 HydrophobicContact CD1-CD1 3.78Å; L122-L137 HydrophobicContact CD1-CD2 4.19Å; L122-L137 HydrophobicContact CD2-CD2 4.32Å; L122-P146 HydrophobicContact CB-CB 3.89Å; L122-P146 HydrophobicContact CB-CG 4.13Å; L122-P146 HydrophobicContact CD1-CB 4.26Å; L122-P146 HydrophobicContact CD1-CG 4.12Å; L122-P146 HydrophobicContact CG-CB 4.22Å; L122-P146 HydrophobicContact CG-CG 3.97Å; L122-V149 HydrophobicContact CD1-CG2 4.1Å
123P86.9Confident84.9Confident33 Ų3343.1 Ų43.121%0.21429%0.287CS..  trans-67.5140.8176.528.5-34.9000111.5L87 W92 G125 L126L87-P123 HydrophobicContact CB-CG 4.23Å; W92-P123 HydrophobicContact CZ2-CG 3.84Å; P123-G125 VanDerWaalsContact C-N 3.28Å; P123-G125 PolarHBondContact O-N 2.94Å; P123-L126 WeakPolarHBondContact O-CB 3.13Å; P123-L126 PolarHBondContact O-N 3.06Å; P123-L126 VanDerWaalsContact O-N 3.09Å
124A82.1Confident86.1Confident78 Ų7842.9 Ų42.965%0.64528%0.275SS*.G310 helixtrans-61.6-30.6-17600000114.1L126 S127A124-L126 PolarHBondContact O-N 3.42Å; A124-S127 PolarHBondContact O-N 2.86Å; A124-S127 PolarHBondContact O-OG 3.36Å
125G80.4Confident87Confident30 Ų3040.6 Ų40.631%0.30926%0.26SS..G310 helixtrans-63.8-9.8176.400000114.7W92 P123 S127 D128W92-G125 WeakPolarHBondContact CB-O 3.36Å; P123-G125 VanDerWaalsContact C-N 3.28Å; P123-G125 PolarHBondContact O-N 2.94Å; G125-S127 PolarHBondContact O-N 3.19Å; G125-D128 PolarHBondContact O-N 2.77Å
126L86.1Confident87.9Confident0 Ų037.6 Ų37.60%024%0.244CC..G310 helixtrans-66.4-22.8174.9-159.1149.1000111.9W92 L100 L122 P123 A124 D128 L129 L152W92-L126 HydrophobicContact CD2-CB 4.48Å; W92-L126 HydrophobicContact CE3-CD1 4.24Å; W92-L126 HydrophobicContact CE3-CG 4.15Å; W92-L126 HydrophobicContact CH2-CD1 4.02Å; W92-L126 HydrophobicContact CZ2-CD1 4.39Å; W92-L126 HydrophobicContact CZ3-CD1 3.94Å; W92-L126 HydrophobicContact CZ3-CG 4.27Å; L100-L126 HydrophobicContact CD2-CD1 3.79Å; L100-L126 HydrophobicContact CD2-CD2 4.48Å; L100-L126 HydrophobicContact CD2-CG 4.34Å; L122-L126 HydrophobicContact CB-CD1 4.33Å; L122-L126 HydrophobicContact CD1-CD1 4.1Å; L122-L126 HydrophobicContact CD1-CD2 4.49Å; L122-L126 HydrophobicContact CD2-CD1 4.01Å; L122-L126 HydrophobicContact CG-CD1 4.38Å; P123-L126 WeakPolarHBondContact O-CB 3.13Å; P123-L126 PolarHBondContact O-N 3.06Å; P123-L126 VanDerWaalsContact O-N 3.09Å; A124-L126 PolarHBondContact O-N 3.42Å; L126-D128 PolarHBondContact O-N 2.82Å; L126-L129 HydrophobicContact CD2-CD1 4.04Å; L126-L129 HydrophobicContact CG-CD1 3.83Å; L126-L129 WeakPolarHBondContact O-CB 3.2Å; L126-L129 VanDerWaalsContact O-CG 3.28Å; L126-L129 WeakPolarHBondContact O-CG 3.46Å; L126-L129 PolarHBondContact O-N 3.38Å; L126-L152 HydrophobicContact CD2-CD1 4.02Å; L126-L152 HydrophobicContact CD2-CD2 4.33Å; L126-L152 WeakPolarHBondContact O-CD2 3.4Å
127S84.9Confident88.5Confident25 Ų2533.9 Ų33.918%0.17523%0.227CC..G310 helixtrans-60-26.3174.6-56.80000114A124 G125 L129 C148 E151A124-S127 PolarHBondContact O-N 2.86Å; A124-S127 PolarHBondContact O-OG 3.36Å; G125-S127 PolarHBondContact O-N 3.19Å; S127-L129 PolarHBondContact O-N 2.81Å; S127-L129 VanDerWaalsContact O-N 3.15Å; S127-C148 VanDerWaalsContact OG-CA 3.31Å; S127-C148 WeakPolarHBondContact OG-CA 3.17Å; S127-C148 WeakPolarHBondContact OG-CB 3.35Å; S127-E151 VanDerWaalsContact CB-OE2 3.22Å; S127-E151 WeakPolarHBondContact CB-OE2 3.44Å; S127-E151 PolarHBondContact OG-OE2 3.15Å
128D83.6Confident89Confident110 Ų11034 Ų3459%0.58823%0.227SC*.G310 helixtrans-70.5-6.6-179.1-68.7-39.6000113.5G125 L126 A130G125-D128 PolarHBondContact O-N 2.77Å; L126-D128 PolarHBondContact O-N 2.82Å; D128-A130 PolarHBondContact O-N 3.42Å
129L86.7Confident89.3Confident2 Ų235.1 Ų35.11%0.0123%0.231CC..  trans-76.962.3-176.8-63177.4000113.5W92 L94 L97 L126 S127 C131 L132 L152W92-L129 HydrophobicContact CE3-CD1 4.06Å; W92-L129 HydrophobicContact CZ3-CD1 4.42Å; W92-L129 WeakPolarHBondContact O-CD2 3.16Å; L94-L129 HydrophobicContact CB-CD2 3.91Å; L97-L129 HydrophobicContact CB-CD2 4.33Å; L97-L129 HydrophobicContact CD2-CD1 4.06Å; L97-L129 HydrophobicContact CD2-CD2 4.44Å; L126-L129 HydrophobicContact CD2-CD1 4.04Å; L126-L129 HydrophobicContact CG-CD1 3.83Å; L126-L129 WeakPolarHBondContact O-CB 3.2Å; L126-L129 VanDerWaalsContact O-CG 3.28Å; L126-L129 WeakPolarHBondContact O-CG 3.46Å; L126-L129 PolarHBondContact O-N 3.38Å; S127-L129 PolarHBondContact O-N 2.81Å; S127-L129 VanDerWaalsContact O-N 3.15Å; L129-C131 PolarHBondContact O-N 3.3Å; L129-L132 HydrophobicContact CB-CB 3.97Å; L129-L132 HydrophobicContact CD1-CD1 4.5Å; L129-L132 HydrophobicContact CD1-CD2 4.21Å; L129-L132 WeakPolarHBondContact O-CB 3.18Å; L129-L132 PolarHBondContact O-N 3.49Å; L129-L152 HydrophobicContact CB-CD2 4.1Å
130A84.4Confident89.6Confident76 Ų7635.1 Ų35.163%0.62823%0.231SC*.THydrogen-bonded Turntrans-58.7-10.4-177.100000116.2D128D128-A130 PolarHBondContact O-N 3.42Å
131C89.3Confident89.9Confident65 Ų6536.9 Ų36.944%0.43923%0.23SC..THydrogen-bonded Turntrans-1062.2175.9-72.90000114.4L97 L129 A133L97-C131 CarbonylContact O-C 3.52Å; L97-C131 VanDerWaalsContact O-C 3.3Å; L129-C131 PolarHBondContact O-N 3.3Å; C131-A133 PolarHBondContact O-N 2.62Å
132L93.4Very high90.2Very high0 Ų033 Ų330%021%0.206CC..  trans-74.3110.8-177.8-165.377.9000110.8L97 L100 L129 L135 L152 G154 L155L97-L132 HydrophobicContact CB-CD1 4.47Å; L97-L132 HydrophobicContact CD2-CD1 4.02Å; L97-L132 HydrophobicContact CG-CD1 3.91Å; L97-L132 WeakPolarHBondContact O-CA 3.47Å; L97-L132 PolarHBondContact O-N 3.21Å; L100-L132 HydrophobicContact CB-CD1 3.76Å; L100-L132 HydrophobicContact CB-CD2 4.26Å; L129-L132 HydrophobicContact CB-CB 3.97Å; L129-L132 HydrophobicContact CD1-CD1 4.5Å; L129-L132 HydrophobicContact CD1-CD2 4.21Å; L129-L132 WeakPolarHBondContact O-CB 3.18Å; L129-L132 PolarHBondContact O-N 3.49Å; L132-L135 HydrophobicContact CD2-CB 4.22Å; L132-L135 HydrophobicContact CD2-CD1 4.29Å; L132-L152 HydrophobicContact CD2-CD1 4.04Å; L132-L152 HydrophobicContact CD2-CD2 4.42Å; L132-G154 CarbonylContact O-C 3.38Å; L132-G154 VanDerWaalsContact O-C 3.29Å; L132-L155 HydrophobicContact CD2-CD1 4.47Å; L132-L155 WeakPolarHBondContact O-CA 3.39Å; L132-L155 PolarHBondContact O-N 3.25Å
133A95.1Very high90.5Very high34 Ų3438.2 Ų38.228%0.28123%0.23SC..  trans-96.2-27.4178.600000112.6R98 C131 D156 A157R98-A133 PolarHBondContact O-N 2.79Å; C131-A133 PolarHBondContact O-N 2.62Å; A133-D156 HydrophobicContact CB-CB 4.28Å; A133-D156 WeakPolarHBondContact O-CA 3.45Å; A133-D156 WeakPolarHBondContact O-CB 3.37Å; A133-D156 PolarHBondContact O-N 2.74Å; A133-A157 PolarHBondContact O-N 2.91Å
134H96.9Very high90.8Very high59 Ų5940.6 Ų40.627%0.27324%0.244SC..EExtended strand (participates in β ladder)trans-129.2126.7-175.7-176.492.4000111.8R98 S99 L100 A157 L159R98-H134 PolarHBondContact O-N 3.18Å; S99-H134 WeakPolarHBondContact CA-O 3.48Å; S99-H134 PolarHBondContact OG-CD2 3.49Å; L100-H134 PolarHBondContact N-O 2.9Å; H134-A157 WeakPolarHBondContact CA-O 3.08Å; H134-L159 WeakPolarHBondContact CE1-CD1 3.18Å
135L96.6Very high91.4Very high0 Ų037.4 Ų37.40%022%0.216CC..EExtended strand (participates in β ladder)trans-132.7114177.7-177.658.2000110.4L100 L132 L137 V149 L152 L155 A157 L158 L159L100-L135 HydrophobicContact CB-CD1 4.01Å; L100-L135 HydrophobicContact CD2-CD1 3.97Å; L100-L135 HydrophobicContact CG-CD1 4.01Å; L100-L135 WeakPolarHBondContact O-CA 3.42Å; L132-L135 HydrophobicContact CD2-CB 4.22Å; L132-L135 HydrophobicContact CD2-CD1 4.29Å; L135-L137 HydrophobicContact CD1-CD2 3.8Å; L135-L137 HydrophobicContact CD1-CG 4.14Å; L135-L137 HydrophobicContact CD2-CD1 4.27Å; L135-L137 HydrophobicContact CG-CD1 4.34Å; L135-L137 HydrophobicContact CG-CD2 4.27Å; L135-L137 HydrophobicContact CG-CG 4.04Å; L135-V149 HydrophobicContact CD2-CG1 4.16Å; L135-V149 HydrophobicContact CD2-CG2 4Å; L135-L152 HydrophobicContact CD2-CD1 3.79Å; L135-L155 HydrophobicContact CB-CD1 3.68Å; L135-L155 HydrophobicContact CB-CD2 4.43Å; L135-A157 PolarHBondContact N-O 3.27Å; L135-L158 HydrophobicContact CB-CD1 4.2Å; L135-L158 HydrophobicContact CD2-CD1 4.08Å; L135-L158 HydrophobicContact CG-CD1 4.17Å; L135-L159 PolarHBondContact O-N 2.73Å
136D96.1Very high91.9Very high12 Ų1236.5 Ų36.56%0.06421%0.205CC..EExtended strand (participates in β ladder)trans-114.2110.6175.3-174-0.4000111L100 V101 L102 K103 S138 L159L100-D136 PolarHBondContact O-N 2.9Å; V101-D136 HydrophobicContact CB-CB 4.42Å; V101-D136 HydrophobicContact CG1-CB 4.15Å; V101-D136 HydrophobicContact CG2-CB 4.15Å; L102-D136 PolarHBondContact N-O 3.48Å; K103-D136 WeakPolarHBondContact CD-OD2 3.26Å; K103-D136 WeakPolarHBondContact CE-OD2 3.38Å; K103-D136 IonicContact NZ-OD1 2.87Å; K103-D136 PolarHBondContact NZ-OD1 2.97Å; K103-D136 IonicContact NZ-OD2 2.89Å; K103-D136 PolarHBondContact NZ-OD2 2.92Å; D136-S138 WeakPolarHBondContact OD1-CB 3.16Å; D136-S138 PolarHBondContact OD1-N 2.88Å; D136-S138 PolarHBondContact OD1-OG 2.83Å; D136-L159 HydrophobicContact CB-CB 4.06Å; D136-L159 HydrophobicContact CB-CD1 4.34Å
137L95.4Very high92.1Very high0 Ų042.3 Ų42.30%024%0.24CC..  trans-113.522.5176.4-50.9176.1000111.2L102 L119 L122 L135 N140 L142 L159 L160 N163L102-L137 HydrophobicContact CB-CD2 3.95Å; L102-L137 HydrophobicContact CD1-CD2 4.25Å; L102-L137 HydrophobicContact CG-CD2 4.45Å; L119-L137 HydrophobicContact CD2-CD2 4.14Å; L122-L137 HydrophobicContact CD1-CD1 3.78Å; L122-L137 HydrophobicContact CD1-CD2 4.19Å; L122-L137 HydrophobicContact CD2-CD2 4.32Å; L135-L137 HydrophobicContact CD1-CD2 3.8Å; L135-L137 HydrophobicContact CD1-CG 4.14Å; L135-L137 HydrophobicContact CD2-CD1 4.27Å; L135-L137 HydrophobicContact CG-CD1 4.34Å; L135-L137 HydrophobicContact CG-CD2 4.27Å; L135-L137 HydrophobicContact CG-CG 4.04Å; L137-N140 VanDerWaalsContact C-ND2 3.27Å; L137-N140 PolarHBondContact O-ND2 2.81Å; L137-L142 HydrophobicContact CB-CD1 3.9Å; L137-L142 HydrophobicContact CD1-CD1 3.86Å; L137-L159 PolarHBondContact N-O 3.43Å; L137-L160 HydrophobicContact CB-CD2 4.22Å; L137-L160 HydrophobicContact CD1-CD2 4.05Å; L137-N163 PolarHBondContact O-ND2 3.35Å
138S94.5Very high92.3Very high2 Ų241.2 Ų41.21%0.01423%0.232CC..  trans-67.4156.7-176.7-490000113G104 D136 N140 S161G104-S138 PolarHBondContact N-O 3.46Å; D136-S138 WeakPolarHBondContact OD1-CB 3.16Å; D136-S138 PolarHBondContact OD1-N 2.88Å; D136-S138 PolarHBondContact OD1-OG 2.83Å; S138-N140 PolarHBondContact O-ND2 2.76Å; S138-S161 CarbonylContact C-O 3.3Å; S138-S161 WeakPolarHBondContact CA-O 3.35Å; S138-S161 WeakPolarHBondContact CB-O 3.49Å; S138-S161 PolarHBondContact OG-N 3.1Å
139F92.9Very high92.8Very high43 Ų4336 Ų3619%0.18920%0.204CC..SBendtrans59.145.5179.6-64.6-93.6000113.4G104 G117 S161 H162G104-F139 WeakPolarHBondContact CA-O 3.35Å; G117-F139 PolarHBondContact N-O 2.8Å; F139-S161 PolarHBondContact N-O 2.89Å; F139-H162 CarbonylContact C-O 3.29Å; F139-H162 WeakPolarHBondContact CA-O 3.27Å; F139-H162 HydrophobicContact CD1-CB 3.73Å; F139-H162 AromaticContact CD1-CG 3.89Å; F139-H162 HydrophobicContact CD2-CB 4.32Å; F139-H162 HydrophobicContact CE1-CB 3.93Å; F139-H162 AromaticContact CE1-CD2 3.55Å; F139-H162 AromaticContact CE1-CG 3.54Å; F139-H162 AromaticContact CE1-ND1 3.9Å; F139-H162 AromaticContact CE1-NE2 3.93Å; F139-H162 HydrophobicContact CE2-CB 4.5Å; F139-H162 AromaticContact CE2-CD2 3.47Å; F139-H162 VanDerWaalsContact CE2-CD2 3.47Å; F139-H162 WeakPolarHBondContact CE2-CD2 3.42Å; F139-H162 HydrophobicContact CG-CB 3.94Å; F139-H162 HydrophobicContact CZ-CB 4.32Å; F139-H162 AromaticContact CZ-CD2 3.16Å; F139-H162 WeakPolarHBondContact CZ-CD2 3.18Å; F139-H162 AromaticContact CZ-CG 3.68Å; F139-H162 AromaticContact CZ-NE2 3.46Å; F139-H162 WeakPolarHBondContact CZ-NE2 3.13Å; F139-H162 PolarHBondContact N-O 2.87Å
140N93.5Very high93Very high0 Ų036.5 Ų36.50%021%0.208CC..SBendtrans-121.6-159.5177.8-75.8-58.5000110.9T76 L102 L119 L137 S138 L142 H162 N163T76-N140 VanDerWaalsContact CB-OD1 3.26Å; T76-N140 WeakPolarHBondContact CB-OD1 3.44Å; T76-N140 PolarHBondContact OG1-OD1 2.83Å; L102-N140 PolarHBondContact O-ND2 2.88Å; L119-N140 HydrophobicContact CB-CB 4.09Å; L119-N140 WeakPolarHBondContact CB-OD1 3.3Å; L137-N140 VanDerWaalsContact C-ND2 3.27Å; L137-N140 PolarHBondContact O-ND2 2.81Å; S138-N140 PolarHBondContact O-ND2 2.76Å; N140-L142 HydrophobicContact CB-CG 4.44Å; N140-H162 PolarHBondContact N-O 2.96Å; N140-N163 WeakPolarHBondContact CA-OD1 3.43Å; N140-N163 WeakPolarHBondContact CB-OD1 3.26Å; N140-N163 PolarHBondContact N-OD1 2.59Å; N140-N163 PolarHBondContact O-OD1 3.49Å
141R92.8Very high93.3Very high108 Ų10838 Ų3841%0.40820%0.202SC..  trans-127.235.4-178.9-62.3171-146.2-178.56.1111.1H116 G117 L119 T120 E143 N163H116-R141 PolarHBondContact O-NH2 2.85Å; G117-R141 WeakPolarHBondContact O-CG 3.32Å; G117-R141 PolarHBondContact O-NE 2.95Å; G117-R141 PolarHBondContact O-NH2 2.9Å; L119-R141 CarbonylContact O-C 3.44Å; L119-R141 PolarHBondContact O-N 3.4Å; T120-R141 HydrophobicContact CG2-CB 4.4Å; R141-E143 PolarHBondContact O-N 3.35Å; R141-N163 PolarHBondContact N-OD1 3.09Å
142L93.5Very high93.4Very high0 Ų035 Ų350%018%0.182CC..  trans-66.7117.2174.8-56.3179.7000109.3L119 T120 L137 N140 P146 L160 N163 H164 L165L119-L142 HydrophobicContact CG-CD2 4.44Å; T120-L142 VanDerWaalsContact C-CD2 3.44Å; T120-L142 WeakPolarHBondContact O-CD2 3.44Å; L137-L142 HydrophobicContact CB-CD1 3.9Å; L137-L142 HydrophobicContact CD1-CD1 3.86Å; N140-L142 HydrophobicContact CB-CG 4.44Å; L142-P146 HydrophobicContact CD2-CG 4.33Å; L142-L160 HydrophobicContact CD1-CD2 4.23Å; L142-N163 HydrophobicContact CB-CB 4.27Å; L142-N163 WeakPolarHBondContact CB-OD1 3.38Å; L142-N163 WeakPolarHBondContact CG-OD1 3.19Å; L142-N163 PolarHBondContact N-OD1 3.24Å; L142-H164 CarbonylContact O-C 3.17Å; L142-H164 VanDerWaalsContact O-CA 3.32Å; L142-H164 WeakPolarHBondContact O-CA 3.42Å; L142-H164 PolarHBondContact O-N 3.14Å; L142-L165 HydrophobicContact CB-CD2 3.88Å; L142-L165 HydrophobicContact CB-CG 4.45Å; L142-L165 PolarHBondContact O-N 3.32Å; L142-L165 VanDerWaalsContact O-N 3.1Å
143E94.5Very high93.3Very high126 Ų12640.8 Ų40.859%0.58921%0.208SC*.SBendtrans-90.1-26.9172.9-61.4-169.8158.400111.9R141 H164 L165 S166R141-E143 PolarHBondContact O-N 3.35Å; E143-H164 HydrophobicContact CG-CB 4.2Å; E143-L165 WeakPolarHBondContact O-CA 3.32Å; E143-S166 PolarHBondContact O-N 2.93Å
144T94Very high93.1Very high82 Ų8240.7 Ų40.750%0.50321%0.21SC..SBendtrans-134.4159.6171.258.10000110L165T144-L165 WeakPolarHBondContact O-CD2 3.34Å
145L93.9Very high93Very high11 Ų1137.9 Ų37.96%0.05820%0.198CC..  trans-75.4127.1174.8-171.768.7000109.7V149 L160 P169 L172L145-V149 HydrophobicContact CD1-CB 4.21Å; L145-V149 HydrophobicContact CD1-CG1 4.2Å; L145-V149 HydrophobicContact CD1-CG2 4.21Å; L145-V149 HydrophobicContact CD2-CB 4.18Å; L145-V149 HydrophobicContact CD2-CG1 4.16Å; L145-V149 HydrophobicContact CG-CB 4.07Å; L145-V149 HydrophobicContact CG-CG1 4.37Å; L145-V149 HydrophobicContact CG-CG2 4.4Å; L145-L160 HydrophobicContact CD1-CD1 3.69Å; L145-L160 HydrophobicContact CD1-CD2 3.65Å; L145-L160 HydrophobicContact CD1-CG 4.33Å; L145-P169 HydrophobicContact CB-CG 4.04Å; L145-P169 HydrophobicContact CD2-CG 3.86Å; L145-P169 HydrophobicContact CG-CG 4.48Å; L145-L172 HydrophobicContact CD2-CD1 3.99Å
146P91.7Very high93Very high12 Ų1241 Ų418%0.07821%0.214CC..  trans-59.1139.6179.3-25.735.7000112.5L122 L142 C148 V149L122-P146 HydrophobicContact CB-CB 3.89Å; L122-P146 HydrophobicContact CB-CG 4.13Å; L122-P146 HydrophobicContact CD1-CB 4.26Å; L122-P146 HydrophobicContact CD1-CG 4.12Å; L122-P146 HydrophobicContact CG-CB 4.22Å; L122-P146 HydrophobicContact CG-CG 3.97Å; L142-P146 HydrophobicContact CD2-CG 4.33Å; P146-C148 PolarHBondContact O-N 2.86Å; P146-C148 VanDerWaalsContact O-N 3.1Å; P146-V149 HydrophobicContact CB-CG2 4.32Å; P146-V149 PolarHBondContact O-N 2.71Å
147T89.7Confident93.1Very high121 Ų12140.8 Ų40.874%0.74221%0.214SC*.THydrogen-bonded Turntrans-63.7-19.9-171550000114.5V149 P150T147-V149 VanDerWaalsContact C-N 3.35Å; T147-P150 WeakPolarHBondContact O-CD 3.29Å
148C90.1Very high93.2Very high2 Ų240.8 Ų40.81%0.01421%0.214CC..THydrogen-bonded Turntrans-72.8-23173.554.60000113.6S127 P146 E151S127-C148 VanDerWaalsContact OG-CA 3.31Å; S127-C148 WeakPolarHBondContact OG-CA 3.17Å; S127-C148 WeakPolarHBondContact OG-CB 3.35Å; P146-C148 PolarHBondContact O-N 2.86Å; P146-C148 VanDerWaalsContact O-N 3.1Å; C148-E151 WeakPolarHBondContact O-CB 3.44Å; C148-E151 PolarHBondContact O-N 2.91Å; C148-E151 VanDerWaalsContact O-N 3.12Å
149V92.7Very high93.4Very high0 Ų042 Ų420%022%0.22CC..G310 helixtrans-66.4-42.3-174.3-178.10000112.9L122 L135 L145 P146 T147 E151 L152 L155 L158L122-V149 HydrophobicContact CD1-CG2 4.1Å; L135-V149 HydrophobicContact CD2-CG1 4.16Å; L135-V149 HydrophobicContact CD2-CG2 4Å; L145-V149 HydrophobicContact CD1-CB 4.21Å; L145-V149 HydrophobicContact CD1-CG1 4.2Å; L145-V149 HydrophobicContact CD1-CG2 4.21Å; L145-V149 HydrophobicContact CD2-CB 4.18Å; L145-V149 HydrophobicContact CD2-CG1 4.16Å; L145-V149 HydrophobicContact CG-CB 4.07Å; L145-V149 HydrophobicContact CG-CG1 4.37Å; L145-V149 HydrophobicContact CG-CG2 4.4Å; P146-V149 HydrophobicContact CB-CG2 4.32Å; P146-V149 PolarHBondContact O-N 2.71Å; T147-V149 VanDerWaalsContact C-N 3.35Å; V149-E151 PolarHBondContact O-N 3.39Å; V149-L152 WeakPolarHBondContact O-CB 3.36Å; V149-L152 PolarHBondContact O-N 3.11Å; V149-L155 HydrophobicContact CG1-CD2 4.32Å; V149-L158 HydrophobicContact CG1-CD1 4.01Å; V149-L158 HydrophobicContact CG1-CD2 3.76Å
150P91.7Very high93.5Very high14 Ų1440 Ų409%0.09121%0.211CC..G310 helixtrans-62.9-17.4171.4-26.537.1000115.9T147 P169 A171 L175T147-P150 WeakPolarHBondContact O-CD 3.29Å; P150-P169 HydrophobicContact CG-CG 4.27Å; P150-A171 HydrophobicContact CB-CB 3.63Å; P150-A171 HydrophobicContact CG-CB 3.95Å; P150-L175 WeakPolarHBondContact O-CD2 3.47Å
151E91.2Very high93.6Very high108 Ų10840.7 Ų40.751%0.50522%0.216SC..G310 helixtrans-85.3-12.8-179.9-57.8-179.3147.600112S127 C148 V149 H153S127-E151 VanDerWaalsContact CB-OE2 3.22Å; S127-E151 WeakPolarHBondContact CB-OE2 3.44Å; S127-E151 PolarHBondContact OG-OE2 3.15Å; C148-E151 WeakPolarHBondContact O-CB 3.44Å; C148-E151 PolarHBondContact O-N 2.91Å; C148-E151 VanDerWaalsContact O-N 3.12Å; V149-E151 PolarHBondContact O-N 3.39Å; E151-H153 VanDerWaalsContact C-N 3.26Å; E151-H153 PolarHBondContact O-N 3.28Å
152L91.8Very high93.8Very high2 Ų237.8 Ų37.81%0.0121%0.207CC..  trans-75.867.9178.6-63.5170.5000112.2L126 L129 L132 L135 V149 G154 L155 L175L126-L152 HydrophobicContact CD2-CD1 4.02Å; L126-L152 HydrophobicContact CD2-CD2 4.33Å; L126-L152 WeakPolarHBondContact O-CD2 3.4Å; L129-L152 HydrophobicContact CB-CD2 4.1Å; L132-L152 HydrophobicContact CD2-CD1 4.04Å; L132-L152 HydrophobicContact CD2-CD2 4.42Å; L135-L152 HydrophobicContact CD2-CD1 3.79Å; V149-L152 WeakPolarHBondContact O-CB 3.36Å; V149-L152 PolarHBondContact O-N 3.11Å; L152-G154 PolarHBondContact O-N 3.34Å; L152-L155 HydrophobicContact CB-CB 4.14Å; L152-L155 WeakPolarHBondContact O-CB 3.41Å; L152-L155 PolarHBondContact O-N 3.27Å; L152-L175 WeakPolarHBondContact O-CD2 3.49Å
153H89.9Confident93.9Very high121 Ų12138 Ų3856%0.5621%0.209SC*.THydrogen-bonded Turntrans-58-18.4-174.8-57.6-37.8000115.5E151 P176E151-H153 VanDerWaalsContact C-N 3.26Å; E151-H153 PolarHBondContact O-N 3.28Å; H153-P176 HydrophobicContact CB-CG 4.45Å; H153-P176 WeakPolarHBondContact O-CD 3.45Å; H153-P176 WeakPolarHBondContact O-CG 3.47Å
154G91.6Very high93.9Very high31 Ų3134.9 Ų34.932%0.3219%0.194SC..THydrogen-bonded Turntrans-83.7-2.9175.200000115.4L132 L152 D156L132-G154 CarbonylContact O-C 3.38Å; L132-G154 VanDerWaalsContact O-C 3.29Å; L152-G154 PolarHBondContact O-N 3.34Å; G154-D156 PolarHBondContact O-N 3.01Å
155L95.6Very high94.1Very high1 Ų131 Ų311%0.00517%0.17CC..  trans-73.4120.7-169.4-164.670.4000112.6L132 L135 V149 L152 L158 L175 A177 L178L132-L155 HydrophobicContact CD2-CD1 4.47Å; L132-L155 WeakPolarHBondContact O-CA 3.39Å; L132-L155 PolarHBondContact O-N 3.25Å; L135-L155 HydrophobicContact CB-CD1 3.68Å; L135-L155 HydrophobicContact CB-CD2 4.43Å; V149-L155 HydrophobicContact CG1-CD2 4.32Å; L152-L155 HydrophobicContact CB-CB 4.14Å; L152-L155 WeakPolarHBondContact O-CB 3.41Å; L152-L155 PolarHBondContact O-N 3.27Å; L155-L158 HydrophobicContact CD2-CB 3.9Å; L155-L158 HydrophobicContact CD2-CD1 4.19Å; L155-L158 HydrophobicContact CD2-CD2 4.23Å; L155-L158 HydrophobicContact CD2-CG 4.33Å; L155-L175 HydrophobicContact CD2-CD1 4.19Å; L155-A177 CarbonylContact O-C 3.19Å; L155-A177 VanDerWaalsContact O-C 3.3Å; L155-L178 HydrophobicContact CD2-CD1 4.23Å; L155-L178 HydrophobicContact CG-CD1 4.12Å; L155-L178 VanDerWaalsContact O-CA 3.24Å; L155-L178 WeakPolarHBondContact O-CA 3.24Å; L155-L178 PolarHBondContact O-N 3.41Å; L155-L178 VanDerWaalsContact O-N 3.13Å
156D96.5Very high94.1Very high65 Ų6533.4 Ų33.435%0.34819%0.188SC..SBendtrans-97.5-38.3179168.458.9000111.7A133 G154 L178 T179 F180A133-D156 HydrophobicContact CB-CB 4.28Å; A133-D156 WeakPolarHBondContact O-CA 3.45Å; A133-D156 WeakPolarHBondContact O-CB 3.37Å; A133-D156 PolarHBondContact O-N 2.74Å; G154-D156 PolarHBondContact O-N 3.01Å; D156-L178 CarbonylContact O-C 3.56Å; D156-T179 PolarHBondContact O-N 3.34Å; D156-T179 PolarHBondContact O-OG1 3.45Å; D156-T179 WeakPolarHBondContact OD1-CB 3.45Å; D156-T179 WeakPolarHBondContact OD1-CG2 3.33Å; D156-T179 PolarHBondContact OD1-OG1 3.4Å; D156-F180 PolarHBondContact O-N 3.37Å
157A97.8Very high94.3Very high8 Ų837.7 Ų37.77%0.06621%0.207CC..EExtended strand (participates in β ladder)trans-132.8122.8-177.600000112.7A133 H134 L135 L159 F180A133-A157 PolarHBondContact O-N 2.91Å; H134-A157 WeakPolarHBondContact CA-O 3.08Å; L135-A157 PolarHBondContact N-O 3.27Å; A157-L159 HydrophobicContact CB-CD1 4.35Å; A157-F180 WeakPolarHBondContact CA-O 3.31Å; A157-F180 HydrophobicContact CB-CB 4Å; A157-F180 HydrophobicContact CB-CD1 4.34Å
158L97.8Very high94.6Very high0 Ų032.2 Ų32.20%017%0.173CC..EExtended strand (participates in β ladder)trans-122.1119.9177.8179.754.5000110.8L135 V149 L155 L160 L172 L178 F180 L181 T182L135-L158 HydrophobicContact CB-CD1 4.2Å; L135-L158 HydrophobicContact CD2-CD1 4.08Å; L135-L158 HydrophobicContact CG-CD1 4.17Å; V149-L158 HydrophobicContact CG1-CD1 4.01Å; V149-L158 HydrophobicContact CG1-CD2 3.76Å; L155-L158 HydrophobicContact CD2-CB 3.9Å; L155-L158 HydrophobicContact CD2-CD1 4.19Å; L155-L158 HydrophobicContact CD2-CD2 4.23Å; L155-L158 HydrophobicContact CD2-CG 4.33Å; L158-L160 HydrophobicContact CD1-CD1 4.43Å; L158-L160 HydrophobicContact CD1-CD2 3.99Å; L158-L160 HydrophobicContact CD1-CG 4.04Å; L158-L160 HydrophobicContact CD2-CD1 4.06Å; L158-L160 HydrophobicContact CG-CD1 4.03Å; L158-L160 HydrophobicContact CG-CD2 4.46Å; L158-L160 HydrophobicContact CG-CG 4Å; L158-L172 HydrophobicContact CD2-CD1 3.83Å; L158-L178 HydrophobicContact CB-CD1 3.83Å; L158-F180 PolarHBondContact N-O 2.77Å; L158-L181 HydrophobicContact CB-CD1 4Å; L158-L181 HydrophobicContact CD2-CD1 3.98Å; L158-L181 HydrophobicContact CG-CD1 3.96Å; L158-L181 WeakPolarHBondContact O-CA 3.42Å; L158-T182 PolarHBondContact O-N 3.06Å; L158-T182 VanDerWaalsContact O-N 3.11Å
159L97.7Very high94.9Very high27 Ų2734.1 Ų34.114%0.14119%0.185CC..EExtended strand (participates in β ladder)trans-117.2118.3-179.4-58.880.3000110.1H134 L135 D136 L137 A157 F180 T182H134-L159 WeakPolarHBondContact CE1-CD1 3.18Å; L135-L159 PolarHBondContact O-N 2.73Å; D136-L159 HydrophobicContact CB-CB 4.06Å; D136-L159 HydrophobicContact CB-CD1 4.34Å; L137-L159 PolarHBondContact N-O 3.43Å; A157-L159 HydrophobicContact CB-CD1 4.35Å; L159-F180 HydrophobicContact CD1-CD1 4.32Å; L159-F180 HydrophobicContact CD1-CE1 4.38Å; L159-F180 HydrophobicContact CD2-CE1 4.31Å; L159-F180 HydrophobicContact CG-CD1 4.38Å; L159-F180 HydrophobicContact CG-CE1 4Å; L159-T182 HydrophobicContact CB-CG2 3.83Å; L159-T182 HydrophobicContact CD2-CG2 4.23Å; L159-T182 HydrophobicContact CG-CG2 3.72Å
160L96.7Very high94.9Very high0 Ų040.3 Ų40.30%021%0.214CC..  trans-125.712.7-174.6-62.8170.3000112L137 L142 L145 L158 N163 L165 L168 L181 T182 V183 N186L137-L160 HydrophobicContact CB-CD2 4.22Å; L137-L160 HydrophobicContact CD1-CD2 4.05Å; L142-L160 HydrophobicContact CD1-CD2 4.23Å; L145-L160 HydrophobicContact CD1-CD1 3.69Å; L145-L160 HydrophobicContact CD1-CD2 3.65Å; L145-L160 HydrophobicContact CD1-CG 4.33Å; L158-L160 HydrophobicContact CD1-CD1 4.43Å; L158-L160 HydrophobicContact CD1-CD2 3.99Å; L158-L160 HydrophobicContact CD1-CG 4.04Å; L158-L160 HydrophobicContact CD2-CD1 4.06Å; L158-L160 HydrophobicContact CG-CD1 4.03Å; L158-L160 HydrophobicContact CG-CD2 4.46Å; L158-L160 HydrophobicContact CG-CG 4Å; L160-N163 PolarHBondContact O-ND2 3.05Å; L160-L165 HydrophobicContact CB-CD1 3.97Å; L160-L165 HydrophobicContact CD1-CD1 4.04Å; L160-L165 HydrophobicContact CG-CD1 4.41Å; L160-L168 HydrophobicContact CD1-CD2 4.43Å; L160-L181 HydrophobicContact CD1-CD1 4.42Å; L160-T182 PolarHBondContact N-O 2.8Å; L160-V183 HydrophobicContact CB-CG1 4.02Å; L160-V183 HydrophobicContact CD1-CG1 4.36Å; L160-V183 HydrophobicContact CD1-CG2 4.19Å; L160-N186 PolarHBondContact O-ND2 2.89Å
161S95.8Very high95.1Very high15 Ų1542.1 Ų42.111%0.10523%0.231CC..  trans-65.4147-168.9-32.30000112.5S138 F139 T182 T184S138-S161 CarbonylContact C-O 3.3Å; S138-S161 WeakPolarHBondContact CA-O 3.35Å; S138-S161 WeakPolarHBondContact CB-O 3.49Å; S138-S161 PolarHBondContact OG-N 3.1Å; F139-S161 PolarHBondContact N-O 2.89Å; S161-T182 WeakPolarHBondContact OG-CG2 3.49Å; S161-T182 PolarHBondContact OG-OG1 3.38Å; S161-T184 CarbonylContact C-O 3.45Å; S161-T184 WeakPolarHBondContact CA-O 3.49Å
162H95.1Very high95.2Very high48 Ų4837 Ų3722%0.22221%0.207CC..SBendtrans5663.6-176-53.7-90.5000112.4F139 N140 T184 H185F139-H162 CarbonylContact C-O 3.29Å; F139-H162 WeakPolarHBondContact CA-O 3.27Å; F139-H162 HydrophobicContact CD1-CB 3.73Å; F139-H162 AromaticContact CD1-CG 3.89Å; F139-H162 HydrophobicContact CD2-CB 4.32Å; F139-H162 HydrophobicContact CE1-CB 3.93Å; F139-H162 AromaticContact CE1-CD2 3.55Å; F139-H162 AromaticContact CE1-CG 3.54Å; F139-H162 AromaticContact CE1-ND1 3.9Å; F139-H162 AromaticContact CE1-NE2 3.93Å; F139-H162 HydrophobicContact CE2-CB 4.5Å; F139-H162 AromaticContact CE2-CD2 3.47Å; F139-H162 VanDerWaalsContact CE2-CD2 3.47Å; F139-H162 WeakPolarHBondContact CE2-CD2 3.42Å; F139-H162 HydrophobicContact CG-CB 3.94Å; F139-H162 HydrophobicContact CZ-CB 4.32Å; F139-H162 AromaticContact CZ-CD2 3.16Å; F139-H162 WeakPolarHBondContact CZ-CD2 3.18Å; F139-H162 AromaticContact CZ-CG 3.68Å; F139-H162 AromaticContact CZ-NE2 3.46Å; F139-H162 WeakPolarHBondContact CZ-NE2 3.13Å; F139-H162 PolarHBondContact N-O 2.87Å; N140-H162 PolarHBondContact N-O 2.96Å; H162-T184 PolarHBondContact N-O 2.82Å; H162-H185 VanDerWaalsContact CA-O 3.26Å; H162-H185 WeakPolarHBondContact CA-O 3.38Å; H162-H185 HydrophobicContact CB-CB 4.4Å; H162-H185 AromaticContact CE1-CD2 3.42Å; H162-H185 PolarHBondContact CE1-CD2 3.2Å; H162-H185 VanDerWaalsContact CE1-CD2 3.42Å; H162-H185 AromaticContact CE1-CE1 3.69Å; H162-H185 AromaticContact CE1-CG 3.34Å; H162-H185 AromaticContact CE1-ND1 3.51Å; H162-H185 AromaticContact CE1-NE2 3.63Å; H162-H185 PolarHBondContact N-O 2.86Å; H162-H185 WeakPolarHBondContact ND1-CB 3.45Å; H162-H185 AromaticContact ND1-CD2 3.3Å; H162-H185 PolarHBondContact ND1-CD2 2.88Å; H162-H185 VanDerWaalsContact ND1-CD2 3.3Å; H162-H185 AromaticContact ND1-CG 3.39Å; H162-H185 AromaticContact ND1-NE2 3.91Å
163N95.7Very high95.2Very high5 Ų537.3 Ų37.33%0.02721%0.21CC..SBendtrans-129.7-162172.4-88.1-74.4000109.3L137 N140 R141 L142 L160 L165 H185 N186L137-N163 PolarHBondContact O-ND2 3.35Å; N140-N163 WeakPolarHBondContact CA-OD1 3.43Å; N140-N163 WeakPolarHBondContact CB-OD1 3.26Å; N140-N163 PolarHBondContact N-OD1 2.59Å; N140-N163 PolarHBondContact O-OD1 3.49Å; R141-N163 PolarHBondContact N-OD1 3.09Å; L142-N163 HydrophobicContact CB-CB 4.27Å; L142-N163 WeakPolarHBondContact CB-OD1 3.38Å; L142-N163 WeakPolarHBondContact CG-OD1 3.19Å; L142-N163 PolarHBondContact N-OD1 3.24Å; L160-N163 PolarHBondContact O-ND2 3.05Å; N163-L165 HydrophobicContact CB-CG 4.22Å; N163-H185 PolarHBondContact N-O 3.27Å; N163-N186 VanDerWaalsContact CA-OD1 3.31Å; N163-N186 WeakPolarHBondContact CA-OD1 3.24Å; N163-N186 WeakPolarHBondContact CB-OD1 3.46Å; N163-N186 PolarHBondContact N-OD1 3.33Å; N163-N186 PolarHBondContact O-OD1 2.77Å
164H95.7Very high95.3Very high59 Ų5934.7 Ų34.727%0.27321%0.209SC..  trans-121.919.6-178.9-69-5000112.6L142 E143 S166 N186 R187L142-H164 CarbonylContact O-C 3.17Å; L142-H164 VanDerWaalsContact O-CA 3.32Å; L142-H164 WeakPolarHBondContact O-CA 3.42Å; L142-H164 PolarHBondContact O-N 3.14Å; E143-H164 HydrophobicContact CG-CB 4.2Å; H164-S166 PolarHBondContact O-N 3.03Å; H164-N186 PolarHBondContact N-OD1 3.1Å; H164-R187 PolarHBondContact CD2-NH2 3.07Å; H164-R187 PolarHBondContact CE1-NH2 2.89Å; H164-R187 PolarHBondContact ND1-NH2 2.81Å; H164-R187 PolarHBondContact NE2-NH2 3.25Å
165L96.8Very high95.4Very high0 Ų033.3 Ų33.30%020%0.195CC..  trans-60121.2-173.3-61.9170.8000111.2L142 E143 T144 L160 N163 L168 V183 N186 R187 L188L142-L165 HydrophobicContact CB-CD2 3.88Å; L142-L165 HydrophobicContact CB-CG 4.45Å; L142-L165 PolarHBondContact O-N 3.32Å; L142-L165 VanDerWaalsContact O-N 3.1Å; E143-L165 WeakPolarHBondContact O-CA 3.32Å; T144-L165 WeakPolarHBondContact O-CD2 3.34Å; L160-L165 HydrophobicContact CB-CD1 3.97Å; L160-L165 HydrophobicContact CD1-CD1 4.04Å; L160-L165 HydrophobicContact CG-CD1 4.41Å; N163-L165 HydrophobicContact CB-CG 4.22Å; L165-L168 HydrophobicContact CD1-CD2 4.5Å; L165-V183 HydrophobicContact CD1-CG1 3.68Å; L165-N186 HydrophobicContact CB-CB 4.31Å; L165-N186 WeakPolarHBondContact CB-OD1 3.42Å; L165-N186 WeakPolarHBondContact CG-OD1 3.19Å; L165-N186 PolarHBondContact N-OD1 2.98Å; L165-R187 CarbonylContact O-C 3.37Å; L165-R187 VanDerWaalsContact O-CA 3.27Å; L165-R187 WeakPolarHBondContact O-CA 3.49Å; L165-R187 WeakPolarHBondContact O-CB 3.36Å; L165-R187 PolarHBondContact O-N 2.89Å; L165-L188 HydrophobicContact CB-CD2 4.16Å; L165-L188 PolarHBondContact O-N 2.94Å
166S95.4Very high95.2Very high62 Ų6237 Ų3743%0.43422%0.219SC..SBendtrans-88.2-28.6175.453.40000113.2E143 H164 L188E143-S166 PolarHBondContact O-N 2.93Å; H164-S166 PolarHBondContact O-N 3.03Å; S166-L188 WeakPolarHBondContact O-CA 3.39Å
167E95.1Very high95.1Very high102 Ų10235.6 Ų35.648%0.47722%0.216SC..  trans-147.3166.1177.161.4177.2-155.100112.4
168L96.3Very high95.1Very high7 Ų735.2 Ų35.24%0.03721%0.213CC..  trans-112.9133.3169.2-64.3174.2000108.7L160 L165 L172 V183 L188 L191 P192L160-L168 HydrophobicContact CD1-CD2 4.43Å; L165-L168 HydrophobicContact CD1-CD2 4.5Å; L168-L172 HydrophobicContact CB-CD2 4.11Å; L168-L172 HydrophobicContact CD1-CD2 4.03Å; L168-L172 HydrophobicContact CD2-CD2 4.16Å; L168-L172 HydrophobicContact CG-CD2 4.33Å; L168-V183 HydrophobicContact CD1-CG2 4.24Å; L168-V183 HydrophobicContact CD2-CG1 4.28Å; L168-V183 HydrophobicContact CD2-CG2 4.41Å; L168-L188 HydrophobicContact CD1-CD1 4.01Å; L168-L188 HydrophobicContact CD2-CD2 4.42Å; L168-L188 HydrophobicContact CG-CD1 4.1Å; L168-L188 HydrophobicContact CG-CD2 3.97Å; L168-L191 HydrophobicContact CD1-CD2 4.38Å; L168-P192 HydrophobicContact CB-CG 4.12Å; L168-P192 WeakPolarHBondContact O-CG 3.39Å
169P95.4Very high95.1Very high42 Ų4236.7 Ų36.727%0.27322%0.222SC..  trans-70.6146.1-176.629.5-35.4000111.3L145 P150 A171 L172L145-P169 HydrophobicContact CB-CG 4.04Å; L145-P169 HydrophobicContact CD2-CG 3.86Å; L145-P169 HydrophobicContact CG-CG 4.48Å; P150-P169 HydrophobicContact CG-CG 4.27Å; P169-A171 PolarHBondContact O-N 2.91Å; P169-A171 VanDerWaalsContact O-N 3.13Å; P169-L172 HydrophobicContact CG-CB 4.45Å; P169-L172 WeakPolarHBondContact O-CB 3.38Å; P169-L172 PolarHBondContact O-N 3Å
170E94.6Very high95.2Very high129 Ų12938.1 Ų38.160%0.60323%0.227SC*.G310 helixtrans-58.3-30.9-180-63.6-165.8149.600113.1L172 G173 P192 T194E170-L172 PolarHBondContact O-N 3.23Å; E170-G173 PolarHBondContact O-N 3.38Å; E170-G173 VanDerWaalsContact O-N 3.15Å; E170-P192 HydrophobicContact CG-CB 4.02Å; E170-T194 VanDerWaalsContact CA-OG1 3.31Å; E170-T194 WeakPolarHBondContact CA-OG1 3.41Å; E170-T194 HydrophobicContact CB-CG2 4.07Å; E170-T194 WeakPolarHBondContact O-CB 3.42Å; E170-T194 PolarHBondContact O-OG1 3.13Å
171A94.1Very high95.2Very high53 Ų5338.1 Ų38.144%0.43823%0.227SC..G310 helixtrans-60.2-23.1175.900000113.6P150 P169 G173 A174P150-A171 HydrophobicContact CB-CB 3.63Å; P150-A171 HydrophobicContact CG-CB 3.95Å; P169-A171 PolarHBondContact O-N 2.91Å; P169-A171 VanDerWaalsContact O-N 3.13Å; A171-G173 PolarHBondContact O-N 3.02Å; A171-A174 WeakPolarHBondContact O-CB 3.44Å; A171-A174 PolarHBondContact O-N 3.31Å
172L94.4Very high95.3Very high0 Ų038 Ų380%023%0.226CC..G310 helixtrans-57.7-33175.7-177.165.3000111.9L145 L158 L168 P169 E170 A174 L175 L181 L195L145-L172 HydrophobicContact CD2-CD1 3.99Å; L158-L172 HydrophobicContact CD2-CD1 3.83Å; L168-L172 HydrophobicContact CB-CD2 4.11Å; L168-L172 HydrophobicContact CD1-CD2 4.03Å; L168-L172 HydrophobicContact CD2-CD2 4.16Å; L168-L172 HydrophobicContact CG-CD2 4.33Å; P169-L172 HydrophobicContact CG-CB 4.45Å; P169-L172 WeakPolarHBondContact O-CB 3.38Å; P169-L172 PolarHBondContact O-N 3Å; E170-L172 PolarHBondContact O-N 3.23Å; L172-A174 PolarHBondContact O-N 3.25Å; L172-A174 VanDerWaalsContact O-N 3.15Å; L172-L175 HydrophobicContact CD1-CD1 3.74Å; L172-L175 PolarHBondContact O-N 3.03Å; L172-L181 HydrophobicContact CD2-CD2 4.15Å; L172-L195 HydrophobicContact CD2-CD1 4.3Å
173G91.7Very high95.4Very high8 Ų835.7 Ų35.78%0.08222%0.215CC..G310 helixtrans-67.8-5.2176.700000115.4E170 A171 T194 S197E170-G173 PolarHBondContact O-N 3.38Å; E170-G173 VanDerWaalsContact O-N 3.15Å; A171-G173 PolarHBondContact O-N 3.02Å; G173-T194 VanDerWaalsContact CA-O 3.28Å; G173-T194 WeakPolarHBondContact CA-O 3.45Å; G173-S197 WeakPolarHBondContact O-CB 3.46Å
174A91.6Very high95.5Very high66 Ų6636.3 Ų36.355%0.54522%0.219SC..G310 helixtrans-93.1-4177.700000114A171 L172 P176A171-A174 WeakPolarHBondContact O-CB 3.44Å; A171-A174 PolarHBondContact O-N 3.31Å; L172-A174 PolarHBondContact O-N 3.25Å; L172-A174 VanDerWaalsContact O-N 3.15Å; A174-P176 VanDerWaalsContact O-CD 3.29Å; A174-P176 WeakPolarHBondContact O-CD 3.46Å
175L93.9Very high95.6Very high3 Ų337.2 Ų37.22%0.01622%0.223CC..  trans-69.9113.4178-68.2-178.3000110.9P150 L152 L155 L172 L178 L198P150-L175 WeakPolarHBondContact O-CD2 3.47Å; L152-L175 WeakPolarHBondContact O-CD2 3.49Å; L155-L175 HydrophobicContact CD2-CD1 4.19Å; L172-L175 HydrophobicContact CD1-CD1 3.74Å; L172-L175 PolarHBondContact O-N 3.03Å; L175-L178 HydrophobicContact CB-CB 4.15Å; L175-L178 HydrophobicContact CD1-CD1 4.42Å; L175-L178 HydrophobicContact CD1-CD2 4.26Å; L175-L198 HydrophobicContact CB-CD2 4.18Å; L175-L198 VanDerWaalsContact O-CD2 3.22Å; L175-L198 WeakPolarHBondContact O-CD2 3.11Å
176P91.5Very high95.6Very high78 Ų7837.8 Ų37.851%0.50623%0.226SC..SBendtrans-80.3-24.7-170.232.5-35.8000113.4H153 A174 T200H153-P176 HydrophobicContact CB-CG 4.45Å; H153-P176 WeakPolarHBondContact O-CD 3.45Å; H153-P176 WeakPolarHBondContact O-CG 3.47Å; A174-P176 VanDerWaalsContact O-CD 3.29Å; A174-P176 WeakPolarHBondContact O-CD 3.46Å; P176-T200 WeakPolarHBondContact O-CG2 3.32Å; P176-T200 PolarHBondContact O-OG1 3.26Å
177A95.1Very high95.7Very high36 Ų3640.2 Ų40.230%0.29823%0.226SC..SBendtrans-98.3-9.1-171.700000114.6L155 T179L155-A177 CarbonylContact O-C 3.19Å; L155-A177 VanDerWaalsContact O-C 3.3Å; A177-T179 PolarHBondContact O-N 3.39Å; A177-T179 VanDerWaalsContact O-N 3.1Å
178L97.3Very high95.8Very high0 Ų035.4 Ų35.40%020%0.203CC..  trans-69.2107.8-165.1-16576.3000112.4L155 D156 L158 L175 L181 L198 T200 L201L155-L178 HydrophobicContact CD2-CD1 4.23Å; L155-L178 HydrophobicContact CG-CD1 4.12Å; L155-L178 VanDerWaalsContact O-CA 3.24Å; L155-L178 WeakPolarHBondContact O-CA 3.24Å; L155-L178 PolarHBondContact O-N 3.41Å; L155-L178 VanDerWaalsContact O-N 3.13Å; D156-L178 CarbonylContact O-C 3.56Å; L158-L178 HydrophobicContact CB-CD1 3.83Å; L175-L178 HydrophobicContact CB-CB 4.15Å; L175-L178 HydrophobicContact CD1-CD1 4.42Å; L175-L178 HydrophobicContact CD1-CD2 4.26Å; L178-L181 HydrophobicContact CD2-CB 4.13Å; L178-L181 HydrophobicContact CD2-CD2 4.38Å; L178-L198 HydrophobicContact CD2-CD1 4.18Å; L178-T200 CarbonylContact O-C 3.52Å; L178-L201 HydrophobicContact CD2-CD1 4.21Å; L178-L201 HydrophobicContact CG-CD1 4.18Å; L178-L201 VanDerWaalsContact O-CA 3.22Å; L178-L201 WeakPolarHBondContact O-CA 3.07Å; L178-L201 WeakPolarHBondContact O-CD1 3.33Å; L178-L201 PolarHBondContact O-N 2.72Å
179T97.9Very high95.8Very high30 Ų3040.1 Ų40.118%0.18423%0.225CC..  trans-95.2-25.1175.1720000113.4D156 A177 Q202 R203D156-T179 PolarHBondContact O-N 3.34Å; D156-T179 PolarHBondContact O-OG1 3.45Å; D156-T179 WeakPolarHBondContact OD1-CB 3.45Å; D156-T179 WeakPolarHBondContact OD1-CG2 3.33Å; D156-T179 PolarHBondContact OD1-OG1 3.4Å; A177-T179 PolarHBondContact O-N 3.39Å; A177-T179 VanDerWaalsContact O-N 3.1Å; T179-Q202 HydrophobicContact CG2-CG 4.41Å; T179-Q202 PolarHBondContact O-N 2.87Å; T179-R203 PolarHBondContact O-N 2.9Å
180F98.3Very high95.8Very high58 Ų5845.9 Ų45.925%0.25424%0.242SC..EExtended strand (participates in β ladder)trans-129.7121.4-176-171.7-95.4000112.5D156 A157 L158 L159 T182 R203D156-F180 PolarHBondContact O-N 3.37Å; A157-F180 WeakPolarHBondContact CA-O 3.31Å; A157-F180 HydrophobicContact CB-CB 4Å; A157-F180 HydrophobicContact CB-CD1 4.34Å; L158-F180 PolarHBondContact N-O 2.77Å; L159-F180 HydrophobicContact CD1-CD1 4.32Å; L159-F180 HydrophobicContact CD1-CE1 4.38Å; L159-F180 HydrophobicContact CD2-CE1 4.31Å; L159-F180 HydrophobicContact CG-CD1 4.38Å; L159-F180 HydrophobicContact CG-CE1 4Å; F180-T182 HydrophobicContact CE1-CG2 3.63Å; F180-T182 HydrophobicContact CZ-CG2 4.2Å; F180-R203 HydrophobicContact CD2-CB 3.64Å; F180-R203 HydrophobicContact CD2-CG 4.04Å; F180-R203 HydrophobicContact CE2-CB 3.94Å; F180-R203 HydrophobicContact CE2-CG 4.34Å
181L98.3Very high95.9Very high0 Ų040.5 Ų40.50%022%0.217CC..EExtended strand (participates in β ladder)trans-131.4124.1173179.557.9000110.7L158 L160 L172 L178 V183 L195 L201 R203 L204 D205L158-L181 HydrophobicContact CB-CD1 4Å; L158-L181 HydrophobicContact CD2-CD1 3.98Å; L158-L181 HydrophobicContact CG-CD1 3.96Å; L158-L181 WeakPolarHBondContact O-CA 3.42Å; L160-L181 HydrophobicContact CD1-CD1 4.42Å; L172-L181 HydrophobicContact CD2-CD2 4.15Å; L178-L181 HydrophobicContact CD2-CB 4.13Å; L178-L181 HydrophobicContact CD2-CD2 4.38Å; L181-V183 HydrophobicContact CD1-CG2 3.85Å; L181-V183 HydrophobicContact CG-CG2 4.02Å; L181-L195 HydrophobicContact CD2-CD1 4.05Å; L181-L201 HydrophobicContact CB-CD1 3.96Å; L181-R203 PolarHBondContact N-O 2.91Å; L181-R203 VanDerWaalsContact N-O 3.11Å; L181-L204 HydrophobicContact CB-CD1 4.02Å; L181-L204 HydrophobicContact CD2-CD1 3.84Å; L181-L204 HydrophobicContact CG-CD1 3.95Å; L181-L204 WeakPolarHBondContact O-CA 3.23Å; L181-D205 PolarHBondContact O-N 2.9Å
182T98Very high96Very high11 Ų1138.6 Ų38.67%0.06720%0.2CC..EExtended strand (participates in β ladder)trans-125.6128167.9170.60000110.9L158 L159 L160 S161 F180 T184 D205L158-T182 PolarHBondContact O-N 3.06Å; L158-T182 VanDerWaalsContact O-N 3.11Å; L159-T182 HydrophobicContact CB-CG2 3.83Å; L159-T182 HydrophobicContact CD2-CG2 4.23Å; L159-T182 HydrophobicContact CG-CG2 3.72Å; L160-T182 PolarHBondContact N-O 2.8Å; S161-T182 WeakPolarHBondContact OG-CG2 3.49Å; S161-T182 PolarHBondContact OG-OG1 3.38Å; F180-T182 HydrophobicContact CE1-CG2 3.63Å; F180-T182 HydrophobicContact CZ-CG2 4.2Å; T182-T184 PolarHBondContact OG1-OG1 3.08Å; T182-D205 WeakPolarHBondContact CA-O 3.48Å
183V97.3Very high96.1Very high0 Ų043 Ų430%022%0.223CC..  trans-128.526175.6-153.30000110L160 L165 L168 L181 N186 L188 D205 L206 N209L160-V183 HydrophobicContact CB-CG1 4.02Å; L160-V183 HydrophobicContact CD1-CG1 4.36Å; L160-V183 HydrophobicContact CD1-CG2 4.19Å; L165-V183 HydrophobicContact CD1-CG1 3.68Å; L168-V183 HydrophobicContact CD1-CG2 4.24Å; L168-V183 HydrophobicContact CD2-CG1 4.28Å; L168-V183 HydrophobicContact CD2-CG2 4.41Å; L181-V183 HydrophobicContact CD1-CG2 3.85Å; L181-V183 HydrophobicContact CG-CG2 4.02Å; V183-N186 HydrophobicContact CG1-CB 4.25Å; V183-N186 WeakPolarHBondContact O-CB 3.41Å; V183-N186 PolarHBondContact O-ND2 2.81Å; V183-L188 HydrophobicContact CB-CD1 4.13Å; V183-L188 HydrophobicContact CG1-CD1 3.87Å; V183-D205 PolarHBondContact N-O 3.28Å; V183-L206 HydrophobicContact CB-CD2 3.97Å; V183-L206 HydrophobicContact CG2-CD2 3.89Å; V183-N209 PolarHBondContact O-ND2 2.83Å
184T97.1Very high96.3Very high18 Ų1844.6 Ų44.611%0.1123%0.231CC..  trans-53.8147180-46.40000112.1S161 H162 T182 N186 D205 S207S161-T184 CarbonylContact C-O 3.45Å; S161-T184 WeakPolarHBondContact CA-O 3.49Å; H162-T184 PolarHBondContact N-O 2.82Å; T182-T184 PolarHBondContact OG1-OG1 3.08Å; T184-N186 PolarHBondContact O-ND2 3.28Å; T184-D205 PolarHBondContact OG1-OD1 2.96Å; T184-S207 VanDerWaalsContact CA-O 3.25Å; T184-S207 WeakPolarHBondContact CA-O 3.31Å; T184-S207 WeakPolarHBondContact CG2-OG 3.26Å
185H96.8Very high96.5Very high78 Ų7841.5 Ų41.536%0.36121%0.205SC..SBendtrans56.962.1179.3-94.982.8000111.9H162 N163 S207 E208H162-H185 VanDerWaalsContact CA-O 3.26Å; H162-H185 WeakPolarHBondContact CA-O 3.38Å; H162-H185 HydrophobicContact CB-CB 4.4Å; H162-H185 AromaticContact CE1-CD2 3.42Å; H162-H185 PolarHBondContact CE1-CD2 3.2Å; H162-H185 VanDerWaalsContact CE1-CD2 3.42Å; H162-H185 AromaticContact CE1-CE1 3.69Å; H162-H185 AromaticContact CE1-CG 3.34Å; H162-H185 AromaticContact CE1-ND1 3.51Å; H162-H185 AromaticContact CE1-NE2 3.63Å; H162-H185 PolarHBondContact N-O 2.86Å; H162-H185 WeakPolarHBondContact ND1-CB 3.45Å; H162-H185 AromaticContact ND1-CD2 3.3Å; H162-H185 PolarHBondContact ND1-CD2 2.88Å; H162-H185 VanDerWaalsContact ND1-CD2 3.3Å; H162-H185 AromaticContact ND1-CG 3.39Å; H162-H185 AromaticContact ND1-NE2 3.91Å; N163-H185 PolarHBondContact N-O 3.27Å; H185-S207 PolarHBondContact N-O 3.19Å; H185-S207 VanDerWaalsContact N-O 3.15Å; H185-E208 WeakPolarHBondContact CA-O 3.43Å; H185-E208 IonicContact CE1-OE1 3.03Å; H185-E208 PolarHBondContact CE1-OE1 2.98Å; H185-E208 IonicContact CE1-OE2 3.14Å; H185-E208 PolarHBondContact CE1-OE2 2.9Å; H185-E208 PolarHBondContact N-O 3.46Å; H185-E208 IonicContact ND1-OE1 2.81Å; H185-E208 PolarHBondContact ND1-OE1 2.62Å; H185-E208 IonicContact ND1-OE2 3.65Å
186N97.8Very high96.5Very high12 Ų1241.6 Ų41.66%0.06421%0.207CC..SBendtrans-135.9-166.3175.7-86.9-81.4000110.3L160 N163 H164 L165 V183 T184 L188 E208 N209L160-N186 PolarHBondContact O-ND2 2.89Å; N163-N186 VanDerWaalsContact CA-OD1 3.31Å; N163-N186 WeakPolarHBondContact CA-OD1 3.24Å; N163-N186 WeakPolarHBondContact CB-OD1 3.46Å; N163-N186 PolarHBondContact N-OD1 3.33Å; N163-N186 PolarHBondContact O-OD1 2.77Å; H164-N186 PolarHBondContact N-OD1 3.1Å; L165-N186 HydrophobicContact CB-CB 4.31Å; L165-N186 WeakPolarHBondContact CB-OD1 3.42Å; L165-N186 WeakPolarHBondContact CG-OD1 3.19Å; L165-N186 PolarHBondContact N-OD1 2.98Å; V183-N186 HydrophobicContact CG1-CB 4.25Å; V183-N186 WeakPolarHBondContact O-CB 3.41Å; V183-N186 PolarHBondContact O-ND2 2.81Å; T184-N186 PolarHBondContact O-ND2 3.28Å; N186-L188 HydrophobicContact CB-CG 4.46Å; N186-E208 PolarHBondContact N-O 2.85Å; N186-E208 VanDerWaalsContact N-O 3.16Å; N186-N209 WeakPolarHBondContact CA-OD1 3.31Å; N186-N209 WeakPolarHBondContact CB-OD1 3.22Å; N186-N209 PolarHBondContact O-OD1 2.97Å
187R97.5Very high96.7Very high114 Ų11441.7 Ų41.743%0.4321%0.21SC..  trans-117.824.4-176.8-58.6179.7-175.3150.65112.3H164 L165 E189 N209 L210H164-R187 PolarHBondContact CD2-NH2 3.07Å; H164-R187 PolarHBondContact CE1-NH2 2.89Å; H164-R187 PolarHBondContact ND1-NH2 2.81Å; H164-R187 PolarHBondContact NE2-NH2 3.25Å; L165-R187 CarbonylContact O-C 3.37Å; L165-R187 VanDerWaalsContact O-CA 3.27Å; L165-R187 WeakPolarHBondContact O-CA 3.49Å; L165-R187 WeakPolarHBondContact O-CB 3.36Å; L165-R187 PolarHBondContact O-N 2.89Å; R187-E189 PolarHBondContact O-N 3.05Å; R187-N209 PolarHBondContact N-OD1 3.1Å; R187-L210 HydrophobicContact CB-CD1 4.25Å
188L97.7Very high96.7Very high0 Ų040 Ų400%020%0.196CC..  trans-64.3117.7-176.2-59.8178.3000110.7L165 S166 L168 V183 N186 L191 L206 N209 L210 L211L165-L188 HydrophobicContact CB-CD2 4.16Å; L165-L188 PolarHBondContact O-N 2.94Å; S166-L188 WeakPolarHBondContact O-CA 3.39Å; L168-L188 HydrophobicContact CD1-CD1 4.01Å; L168-L188 HydrophobicContact CD2-CD2 4.42Å; L168-L188 HydrophobicContact CG-CD1 4.1Å; L168-L188 HydrophobicContact CG-CD2 3.97Å; V183-L188 HydrophobicContact CB-CD1 4.13Å; V183-L188 HydrophobicContact CG1-CD1 3.87Å; N186-L188 HydrophobicContact CB-CG 4.46Å; L188-L191 HydrophobicContact CD1-CD2 4.2Å; L188-L206 HydrophobicContact CD1-CD2 4.04Å; L188-N209 HydrophobicContact CB-CB 4.29Å; L188-N209 VanDerWaalsContact CB-OD1 3.28Å; L188-N209 WeakPolarHBondContact CB-OD1 3.25Å; L188-N209 VanDerWaalsContact CG-OD1 3.28Å; L188-N209 WeakPolarHBondContact CG-OD1 3.44Å; L188-N209 PolarHBondContact N-OD1 2.55Å; L188-L210 CarbonylContact O-C 3.41Å; L188-L210 VanDerWaalsContact O-CA 3.3Å; L188-L210 WeakPolarHBondContact O-CA 3.4Å; L188-L210 PolarHBondContact O-N 2.89Å; L188-L211 HydrophobicContact CB-CD2 4Å; L188-L211 WeakPolarHBondContact O-CD2 3.35Å; L188-L211 PolarHBondContact O-N 3.22Å; L188-L211 VanDerWaalsContact O-N 3.13Å
189E96.1Very high96.5Very high106 Ų10643.7 Ų43.750%0.49522%0.222SC..SBendtrans-91.9-26.9173.7-62.6-174.5161.300112.1R187 L210R187-E189 PolarHBondContact O-N 3.05Å; E189-L210 HydrophobicContact CG-CB 4.11Å; E189-L210 HydrophobicContact CG-CD1 4.49Å
190R95.6Very high96.4Very high164 Ų16444.5 Ų44.562%0.61923%0.226SC*.  trans-142.7161.5-178.6-60.4-177.7-62.6129.99.3111
191L96.9Very high96.4Very high15 Ų1541.7 Ų41.78%0.07921%0.214CC..  trans-116.4143.4172.8-56.7172.2000110L168 L188 L195 L206 L211 I214 P215L168-L191 HydrophobicContact CD1-CD2 4.38Å; L188-L191 HydrophobicContact CD1-CD2 4.2Å; L191-L195 HydrophobicContact CB-CD2 4.38Å; L191-L195 HydrophobicContact CD1-CD2 4.22Å; L191-L195 HydrophobicContact CD2-CD2 4.46Å; L191-L206 HydrophobicContact CD1-CD1 3.57Å; L191-L206 HydrophobicContact CD2-CD1 3.79Å; L191-L206 HydrophobicContact CD2-CD2 4.18Å; L191-L206 HydrophobicContact CG-CD1 4.33Å; L191-L211 HydrophobicContact CD1-CD1 4.12Å; L191-L211 HydrophobicContact CD2-CD1 4.22Å; L191-L211 HydrophobicContact CD2-CD2 3.95Å; L191-L211 HydrophobicContact CG-CD1 4.21Å; L191-L211 HydrophobicContact CG-CD2 3.85Å; L191-I214 HydrophobicContact CD1-CG2 4.36Å; L191-P215 HydrophobicContact CB-CG 4.11Å
192P96.3Very high96.4Very high13 Ų1346.2 Ų46.28%0.08424%0.235CC..  trans-69143.6175.529.4-34.8000110.9L168 E170 T194 L195L168-P192 HydrophobicContact CB-CG 4.12Å; L168-P192 WeakPolarHBondContact O-CG 3.39Å; E170-P192 HydrophobicContact CG-CB 4.02Å; P192-T194 PolarHBondContact O-N 2.98Å; P192-L195 HydrophobicContact CG-CB 4.34Å; P192-L195 VanDerWaalsContact O-CB 3.25Å; P192-L195 WeakPolarHBondContact O-CB 3.36Å; P192-L195 PolarHBondContact O-N 3.11Å; P192-L195 VanDerWaalsContact O-N 3.07Å
193L96.2Very high96.4Very high93 Ų9350.8 Ų50.849%0.48725%0.251SS..G310 helixtrans-60.5-34.8-179.6-52.3-174.2000111.6L195 G196 P215 E217L193-L195 PolarHBondContact O-N 3.02Å; L193-L195 VanDerWaalsContact O-N 3.16Å; L193-G196 PolarHBondContact O-N 2.81Å; L193-P215 HydrophobicContact CD2-CB 3.55Å; L193-E217 HydrophobicContact CB-CG 4.2Å; L193-E217 VanDerWaalsContact O-CB 3.28Å; L193-E217 WeakPolarHBondContact O-CB 3.13Å
194T95.9Very high96.4Very high42 Ų4251 Ų5126%0.25825%0.252SS..G310 helixtrans-63-15.7177.759.40000113.9E170 G173 P192 G196 S197E170-T194 VanDerWaalsContact CA-OG1 3.31Å; E170-T194 WeakPolarHBondContact CA-OG1 3.41Å; E170-T194 HydrophobicContact CB-CG2 4.07Å; E170-T194 WeakPolarHBondContact O-CB 3.42Å; E170-T194 PolarHBondContact O-OG1 3.13Å; G173-T194 VanDerWaalsContact CA-O 3.28Å; G173-T194 WeakPolarHBondContact CA-O 3.45Å; P192-T194 PolarHBondContact O-N 2.98Å; T194-G196 PolarHBondContact O-N 3.13Å; T194-G196 VanDerWaalsContact O-N 3.16Å; T194-S197 WeakPolarHBondContact O-CB 3.47Å; T194-S197 PolarHBondContact O-N 2.96Å; T194-S197 PolarHBondContact O-OG 2.93Å
195L95.7Very high96.5Very high0 Ų052 Ų520%026%0.257CS..G310 helixtrans-56.3-32.6174-165.273.5000111.1L172 L181 L191 P192 L193 S197 L198 L204 I218 L221L172-L195 HydrophobicContact CD2-CD1 4.3Å; L181-L195 HydrophobicContact CD2-CD1 4.05Å; L191-L195 HydrophobicContact CB-CD2 4.38Å; L191-L195 HydrophobicContact CD1-CD2 4.22Å; L191-L195 HydrophobicContact CD2-CD2 4.46Å; P192-L195 HydrophobicContact CG-CB 4.34Å; P192-L195 VanDerWaalsContact O-CB 3.25Å; P192-L195 WeakPolarHBondContact O-CB 3.36Å; P192-L195 PolarHBondContact O-N 3.11Å; P192-L195 VanDerWaalsContact O-N 3.07Å; L193-L195 PolarHBondContact O-N 3.02Å; L193-L195 VanDerWaalsContact O-N 3.16Å; L195-S197 PolarHBondContact O-N 2.87Å; L195-L198 HydrophobicContact CD1-CD1 3.76Å; L195-L198 HydrophobicContact CG-CD1 4.4Å; L195-L198 WeakPolarHBondContact O-CG 3.32Å; L195-L198 PolarHBondContact O-N 3.21Å; L195-L204 HydrophobicContact CD2-CD2 4.12Å; L195-I218 HydrophobicContact CD2-CD1 4.15Å; L195-L221 WeakPolarHBondContact O-CD2 3.17Å
196G93.7Very high96.6Very high5 Ų548.2 Ų48.25%0.05224%0.24CC..G310 helixtrans-65.1-13174.900000115.6L193 T194 L198 E217 N220L193-G196 PolarHBondContact O-N 2.81Å; T194-G196 PolarHBondContact O-N 3.13Å; T194-G196 VanDerWaalsContact O-N 3.16Å; G196-L198 VanDerWaalsContact C-N 3.32Å; G196-E217 WeakPolarHBondContact CA-O 3.42Å; G196-N220 WeakPolarHBondContact O-CB 3.47Å
197S95.6Very high96.6Very high80 Ų8048 Ų4856%0.55924%0.239SC*.G310 helixtrans-79-12.3177.8-60.40000113.6G173 T194 L195 S199G173-S197 WeakPolarHBondContact O-CB 3.46Å; T194-S197 WeakPolarHBondContact O-CB 3.47Å; T194-S197 PolarHBondContact O-N 2.96Å; T194-S197 PolarHBondContact O-OG 2.93Å; L195-S197 PolarHBondContact O-N 2.87Å; S197-S199 PolarHBondContact O-N 2.88Å
198L95.6Very high96.6Very high1 Ų146.6 Ų46.61%0.00524%0.237CC..  trans-72.467.2-178.6-62.7174.5000112L175 L178 L195 G196 T200 L201 L221L175-L198 HydrophobicContact CB-CD2 4.18Å; L175-L198 VanDerWaalsContact O-CD2 3.22Å; L175-L198 WeakPolarHBondContact O-CD2 3.11Å; L178-L198 HydrophobicContact CD2-CD1 4.18Å; L195-L198 HydrophobicContact CD1-CD1 3.76Å; L195-L198 HydrophobicContact CG-CD1 4.4Å; L195-L198 WeakPolarHBondContact O-CG 3.32Å; L195-L198 PolarHBondContact O-N 3.21Å; G196-L198 VanDerWaalsContact C-N 3.32Å; L198-T200 PolarHBondContact O-N 2.85Å; L198-L201 HydrophobicContact CB-CB 3.97Å; L198-L201 HydrophobicContact CB-CD2 4.42Å; L198-L201 HydrophobicContact CD1-CD2 4.19Å; L198-L201 VanDerWaalsContact O-CB 3.26Å; L198-L201 WeakPolarHBondContact O-CB 3.23Å; L198-L201 PolarHBondContact O-N 3.06Å; L198-L221 HydrophobicContact CB-CD2 3.88Å; L198-L221 VanDerWaalsContact O-CD2 3.22Å; L198-L221 WeakPolarHBondContact O-CD2 3.31Å
199S91.6Very high96.7Very high78 Ų7846.9 Ų46.955%0.54524%0.238SC..THydrogen-bonded Turntrans-60.2-19.7-171.866.40000115S197 S223S197-S199 PolarHBondContact O-N 2.88Å; S199-S223 VanDerWaalsContact O-CB 3.28Å; S199-S223 WeakPolarHBondContact O-CB 3.42Å; S199-S223 PolarHBondContact O-OG 2.91Å
200T96.2Very high96.7Very high46 Ų4644.2 Ų44.228%0.28223%0.227SC..THydrogen-bonded Turntrans-88.4-11.8176.935.50000114.2P176 L178 L198 Q202P176-T200 WeakPolarHBondContact O-CG2 3.32Å; P176-T200 PolarHBondContact O-OG1 3.26Å; L178-T200 CarbonylContact O-C 3.52Å; L198-T200 PolarHBondContact O-N 2.85Å; T200-Q202 WeakPolarHBondContact O-CG 3.42Å; T200-Q202 PolarHBondContact O-N 3.46Å
201L97.9Very high96.9Very high0 Ų036.4 Ų36.40%020%0.198CC..  trans-65.2123.6-173.9-161.969.6000111.9L178 L181 L198 L204 L221 S223 L224L178-L201 HydrophobicContact CD2-CD1 4.21Å; L178-L201 HydrophobicContact CG-CD1 4.18Å; L178-L201 VanDerWaalsContact O-CA 3.22Å; L178-L201 WeakPolarHBondContact O-CA 3.07Å; L178-L201 WeakPolarHBondContact O-CD1 3.33Å; L178-L201 PolarHBondContact O-N 2.72Å; L181-L201 HydrophobicContact CB-CD1 3.96Å; L198-L201 HydrophobicContact CB-CB 3.97Å; L198-L201 HydrophobicContact CB-CD2 4.42Å; L198-L201 HydrophobicContact CD1-CD2 4.19Å; L198-L201 VanDerWaalsContact O-CB 3.26Å; L198-L201 WeakPolarHBondContact O-CB 3.23Å; L198-L201 PolarHBondContact O-N 3.06Å; L201-L204 HydrophobicContact CD2-CB 3.97Å; L201-L204 HydrophobicContact CD2-CD1 4.29Å; L201-L204 HydrophobicContact CD2-CD2 4.12Å; L201-L204 HydrophobicContact CD2-CG 4.36Å; L201-L221 HydrophobicContact CB-CD2 4.32Å; L201-L221 HydrophobicContact CD2-CD1 4.18Å; L201-L221 HydrophobicContact CD2-CD2 4.43Å; L201-S223 CarbonylContact O-C 3.3Å; L201-S223 WeakPolarHBondContact O-CB 3.29Å; L201-L224 HydrophobicContact CD2-CD1 4.26Å; L201-L224 HydrophobicContact CG-CD1 4.14Å; L201-L224 VanDerWaalsContact O-CA 3.24Å; L201-L224 WeakPolarHBondContact O-CA 3.43Å; L201-L224 PolarHBondContact O-N 2.82Å; L201-L224 VanDerWaalsContact O-N 3.08Å
202Q98.1Very high96.8Very high94 Ų9438.5 Ų38.544%0.43921%0.209SC..  trans-107.6-31.5-177.2-60.3-176.322.300112.7T179 T200 S225 E226T179-Q202 HydrophobicContact CG2-CG 4.41Å; T179-Q202 PolarHBondContact O-N 2.87Å; T200-Q202 WeakPolarHBondContact O-CG 3.42Å; T200-Q202 PolarHBondContact O-N 3.46Å; Q202-S225 PolarHBondContact O-N 2.98Å; Q202-S225 PolarHBondContact O-OG 3.43Å; Q202-E226 PolarHBondContact O-N 3.5Å; Q202-E226 VanDerWaalsContact O-N 3.13Å
203R98.6Very high96.8Very high108 Ų10841.8 Ų41.841%0.40823%0.229SC..EExtended strand (participates in β ladder)trans-132.9134.3174.3-53.7-170.1167.797.710.1111.1T179 F180 L181 E226T179-R203 PolarHBondContact O-N 2.9Å; F180-R203 HydrophobicContact CD2-CB 3.64Å; F180-R203 HydrophobicContact CD2-CG 4.04Å; F180-R203 HydrophobicContact CE2-CB 3.94Å; F180-R203 HydrophobicContact CE2-CG 4.34Å; L181-R203 PolarHBondContact N-O 2.91Å; L181-R203 VanDerWaalsContact N-O 3.11Å; R203-E226 WeakPolarHBondContact CA-O 3.27Å; R203-E226 HydrophobicContact CB-CB 4.38Å; R203-E226 VanDerWaalsContact CD-OE2 3.29Å; R203-E226 WeakPolarHBondContact CD-OE2 3.28Å; R203-E226 HydrophobicContact CG-CB 4.08Å; R203-E226 HydrophobicContact CG-CG 4.37Å; R203-E226 IonicContact CZ-OE1 2.71Å; R203-E226 VanDerWaalsContact CZ-OE1 3.29Å; R203-E226 IonicContact CZ-OE2 3.29Å; R203-E226 IonicContact NE-OE1 3.39Å; R203-E226 PolarHBondContact NE-OE1 3.1Å; R203-E226 IonicContact NE-OE2 2.8Å; R203-E226 PolarHBondContact NE-OE2 2.91Å; R203-E226 IonicContact NH2-OE1 3.47Å; R203-E226 PolarHBondContact NH2-OE1 3.29Å
204L98.5Very high96.8Very high3 Ų337.9 Ų37.92%0.01621%0.209CC..EExtended strand (participates in β ladder)trans-133.4115.3174.8179.154.8000110L181 L195 L201 L206 I218 L221 L224 E226 L227 N228L181-L204 HydrophobicContact CB-CD1 4.02Å; L181-L204 HydrophobicContact CD2-CD1 3.84Å; L181-L204 HydrophobicContact CG-CD1 3.95Å; L181-L204 WeakPolarHBondContact O-CA 3.23Å; L195-L204 HydrophobicContact CD2-CD2 4.12Å; L201-L204 HydrophobicContact CD2-CB 3.97Å; L201-L204 HydrophobicContact CD2-CD1 4.29Å; L201-L204 HydrophobicContact CD2-CD2 4.12Å; L201-L204 HydrophobicContact CD2-CG 4.36Å; L204-L206 HydrophobicContact CD1-CD1 3.94Å; L204-L206 HydrophobicContact CD1-CD2 4.05Å; L204-L206 HydrophobicContact CD1-CG 3.74Å; L204-L206 HydrophobicContact CD2-CD1 3.89Å; L204-L206 HydrophobicContact CG-CD1 3.88Å; L204-L206 HydrophobicContact CG-CG 3.96Å; L204-I218 HydrophobicContact CD2-CD1 3.88Å; L204-L221 HydrophobicContact CD2-CD1 4.22Å; L204-L224 HydrophobicContact CB-CD1 3.82Å; L204-E226 PolarHBondContact N-O 2.89Å; L204-L227 HydrophobicContact CB-CD1 4.02Å; L204-L227 HydrophobicContact CD2-CD1 4Å; L204-L227 HydrophobicContact CG-CD1 4Å; L204-L227 WeakPolarHBondContact O-CA 3.23Å; L204-N228 PolarHBondContact O-N 3.4Å
205D98.6Very high96.8Very high39 Ų3936.8 Ų36.821%0.20920%0.202CC..EExtended strand (participates in β ladder)trans-112.2115.4173-159.2-48.1000111L181 T182 V183 T184 S207 N228L181-D205 PolarHBondContact O-N 2.9Å; T182-D205 WeakPolarHBondContact CA-O 3.48Å; V183-D205 PolarHBondContact N-O 3.28Å; T184-D205 PolarHBondContact OG1-OD1 2.96Å; D205-S207 WeakPolarHBondContact OD1-CB 3.22Å; D205-S207 PolarHBondContact OD1-N 2.84Å; D205-S207 PolarHBondContact OD1-OG 3.07Å; D205-N228 HydrophobicContact CB-CB 4.33Å; D205-N228 VanDerWaalsContact CG-ND2 3.34Å; D205-N228 PolarHBondContact OD1-ND2 3.27Å; D205-N228 WeakPolarHBondContact OD2-CB 3.32Å; D205-N228 PolarHBondContact OD2-ND2 2.96Å
206L98.1Very high96.9Very high0 Ų040 Ų400%022%0.224CC..  trans-126.422.2178.3-62.9171.2000110.3V183 L188 L191 L204 N209 L211 N228 L229 N232V183-L206 HydrophobicContact CB-CD2 3.97Å; V183-L206 HydrophobicContact CG2-CD2 3.89Å; L188-L206 HydrophobicContact CD1-CD2 4.04Å; L191-L206 HydrophobicContact CD1-CD1 3.57Å; L191-L206 HydrophobicContact CD2-CD1 3.79Å; L191-L206 HydrophobicContact CD2-CD2 4.18Å; L191-L206 HydrophobicContact CG-CD1 4.33Å; L204-L206 HydrophobicContact CD1-CD1 3.94Å; L204-L206 HydrophobicContact CD1-CD2 4.05Å; L204-L206 HydrophobicContact CD1-CG 3.74Å; L204-L206 HydrophobicContact CD2-CD1 3.89Å; L204-L206 HydrophobicContact CG-CD1 3.88Å; L204-L206 HydrophobicContact CG-CG 3.96Å; L206-N209 PolarHBondContact O-ND2 3.25Å; L206-L211 HydrophobicContact CB-CD1 4.19Å; L206-L211 HydrophobicContact CD1-CD1 4.49Å; L206-N228 PolarHBondContact N-O 3.14Å; L206-L229 HydrophobicContact CB-CD2 4.13Å; L206-L229 HydrophobicContact CD1-CD2 4.26Å; L206-N232 PolarHBondContact O-ND2 3.12Å
207S98.3Very high97Very high6 Ų642.4 Ų42.44%0.04224%0.235CC..  trans-68.7159.6-179.857.60000112.7T184 H185 D205 N209 N228 A230T184-S207 VanDerWaalsContact CA-O 3.25Å; T184-S207 WeakPolarHBondContact CA-O 3.31Å; T184-S207 WeakPolarHBondContact CG2-OG 3.26Å; H185-S207 PolarHBondContact N-O 3.19Å; H185-S207 VanDerWaalsContact N-O 3.15Å; D205-S207 WeakPolarHBondContact OD1-CB 3.22Å; D205-S207 PolarHBondContact OD1-N 2.84Å; D205-S207 PolarHBondContact OD1-OG 3.07Å; S207-N209 PolarHBondContact O-N 3.38Å; S207-N209 PolarHBondContact O-ND2 2.9Å; S207-N228 WeakPolarHBondContact CB-ND2 3.39Å; S207-N228 WeakPolarHBondContact CB-OD1 3.32Å; S207-N228 PolarHBondContact N-O 2.66Å; S207-N228 PolarHBondContact OG-ND2 3.14Å; S207-A230 CarbonylContact C-O 3.46Å; S207-A230 WeakPolarHBondContact CA-O 3.12Å; S207-A230 VanDerWaalsContact CB-O 3.23Å; S207-A230 WeakPolarHBondContact CB-O 3.01Å
208E98.1Very high97Very high85 Ų8538.7 Ų38.740%0.39721%0.208SC..SBendtrans55.454.7177.6-62.2176.6-6900111.4H185 N186 A230 S231H185-E208 WeakPolarHBondContact CA-O 3.43Å; H185-E208 IonicContact CE1-OE1 3.03Å; H185-E208 PolarHBondContact CE1-OE1 2.98Å; H185-E208 IonicContact CE1-OE2 3.14Å; H185-E208 PolarHBondContact CE1-OE2 2.9Å; H185-E208 PolarHBondContact N-O 3.46Å; H185-E208 IonicContact ND1-OE1 2.81Å; H185-E208 PolarHBondContact ND1-OE1 2.62Å; H185-E208 IonicContact ND1-OE2 3.65Å; N186-E208 PolarHBondContact N-O 2.85Å; N186-E208 VanDerWaalsContact N-O 3.16Å; E208-A230 PolarHBondContact N-O 3.1Å; E208-S231 VanDerWaalsContact CA-O 3.31Å; E208-S231 WeakPolarHBondContact CA-O 3.43Å; E208-S231 PolarHBondContact N-O 3.14Å
209N98.5Very high96.9Very high6 Ų639 Ų393%0.03221%0.212CC..SBendtrans-132.9-172.8177.7-87.9-85.5000109.2V183 N186 R187 L188 L206 S207 L211 S231 N232V183-N209 PolarHBondContact O-ND2 2.83Å; N186-N209 WeakPolarHBondContact CA-OD1 3.31Å; N186-N209 WeakPolarHBondContact CB-OD1 3.22Å; N186-N209 PolarHBondContact O-OD1 2.97Å; R187-N209 PolarHBondContact N-OD1 3.1Å; L188-N209 HydrophobicContact CB-CB 4.29Å; L188-N209 VanDerWaalsContact CB-OD1 3.28Å; L188-N209 WeakPolarHBondContact CB-OD1 3.25Å; L188-N209 VanDerWaalsContact CG-OD1 3.28Å; L188-N209 WeakPolarHBondContact CG-OD1 3.44Å; L188-N209 PolarHBondContact N-OD1 2.55Å; L206-N209 PolarHBondContact O-ND2 3.25Å; S207-N209 PolarHBondContact O-N 3.38Å; S207-N209 PolarHBondContact O-ND2 2.9Å; N209-L211 HydrophobicContact CB-CG 4.37Å; N209-S231 PolarHBondContact N-O 3.35Å; N209-N232 WeakPolarHBondContact CA-OD1 3.26Å; N209-N232 WeakPolarHBondContact CB-OD1 3.47Å; N209-N232 PolarHBondContact O-OD1 2.86Å
210L97.9Very high97.1Very high50 Ų5039.7 Ų39.726%0.26221%0.209SC..  trans-110.420.3-173.1-52.7-176000112.7R187 L188 E189 D212 N232R187-L210 HydrophobicContact CB-CD1 4.25Å; L188-L210 CarbonylContact O-C 3.41Å; L188-L210 VanDerWaalsContact O-CA 3.3Å; L188-L210 WeakPolarHBondContact O-CA 3.4Å; L188-L210 PolarHBondContact O-N 2.89Å; E189-L210 HydrophobicContact CG-CB 4.11Å; E189-L210 HydrophobicContact CG-CD1 4.49Å; L210-D212 PolarHBondContact O-N 3.33Å; L210-N232 PolarHBondContact N-OD1 3.15Å
211L98Very high97.1Very high0 Ų037.5 Ų37.50%020%0.196CC..  trans-66.4115.6-171.3-60.3173.1000111.5L188 L191 L206 N209 L229 N232 R233 L234L188-L211 HydrophobicContact CB-CD2 4Å; L188-L211 WeakPolarHBondContact O-CD2 3.35Å; L188-L211 PolarHBondContact O-N 3.22Å; L188-L211 VanDerWaalsContact O-N 3.13Å; L191-L211 HydrophobicContact CD1-CD1 4.12Å; L191-L211 HydrophobicContact CD2-CD1 4.22Å; L191-L211 HydrophobicContact CD2-CD2 3.95Å; L191-L211 HydrophobicContact CG-CD1 4.21Å; L191-L211 HydrophobicContact CG-CD2 3.85Å; L206-L211 HydrophobicContact CB-CD1 4.19Å; L206-L211 HydrophobicContact CD1-CD1 4.49Å; N209-L211 HydrophobicContact CB-CG 4.37Å; L211-L229 HydrophobicContact CD1-CD2 4.22Å; L211-N232 HydrophobicContact CB-CB 4.29Å; L211-N232 VanDerWaalsContact CB-OD1 3.26Å; L211-N232 WeakPolarHBondContact CB-OD1 3.22Å; L211-N232 WeakPolarHBondContact CG-OD1 3.29Å; L211-N232 PolarHBondContact N-OD1 3Å; L211-R233 CarbonylContact O-C 3.33Å; L211-R233 WeakPolarHBondContact O-CA 3.32Å; L211-R233 PolarHBondContact O-N 3.15Å; L211-L234 HydrophobicContact CB-CD2 4.09Å; L211-L234 WeakPolarHBondContact O-CD2 3.04Å; L211-L234 PolarHBondContact O-N 3.2Å
212D95.6Very high96.8Very high60 Ų6046.5 Ų46.532%0.32123%0.23SC..SBendtrans-83.2-27.2172.4-67.6-53.9000112.3L210 R233L210-D212 PolarHBondContact O-N 3.33Å; D212-R233 WeakPolarHBondContact OD1-CB 3.44Å; D212-R233 VanDerWaalsContact OD1-CD 3.29Å; D212-R233 WeakPolarHBondContact OD1-CD 3.26Å
213T95.6Very high96.7Very high81 Ų8144.4 Ų44.450%0.49723%0.225SC..  trans-145.9166-178.559.80000112.3
214I96.8Very high96.7Very high12 Ų1239.2 Ų39.26%0.06221%0.206CC..  trans-125.7134.3174.3-54.8167.8000108.3L191 I218 L229 L234 L237 P238L191-I214 HydrophobicContact CD1-CG2 4.36Å; I214-I218 HydrophobicContact CG2-CB 3.82Å; I214-I218 HydrophobicContact CG2-CD1 4.42Å; I214-I218 HydrophobicContact CG2-CG1 3.99Å; I214-I218 HydrophobicContact CG2-CG2 3.71Å; I214-L229 HydrophobicContact CD1-CD1 3.48Å; I214-L229 VanDerWaalsContact CD1-CD1 3.48Å; I214-L229 HydrophobicContact CD1-CD2 3.88Å; I214-L229 HydrophobicContact CD1-CG 4.29Å; I214-L229 HydrophobicContact CG1-CD2 4.39Å; I214-L234 HydrophobicContact CD1-CD1 3.8Å; I214-L234 HydrophobicContact CD1-CD2 4.07Å; I214-L234 HydrophobicContact CG1-CD1 4.3Å; I214-L234 HydrophobicContact CG1-CD2 3.66Å; I214-L237 HydrophobicContact CD1-CD2 3.88Å; I214-P238 HydrophobicContact CB-CG 4.35Å
215P96.4Very high96.7Very high19 Ų1940 Ų4012%0.12321%0.211CC..  trans-63.7147.8176.528-35.9000111.8L191 L193 E217 I218L191-P215 HydrophobicContact CB-CG 4.11Å; L193-P215 HydrophobicContact CD2-CB 3.55Å; P215-E217 PolarHBondContact O-N 3.38Å; P215-I218 WeakPolarHBondContact O-CB 3.32Å; P215-I218 VanDerWaalsContact O-CG2 3.23Å; P215-I218 WeakPolarHBondContact O-CG2 3.08Å; P215-I218 PolarHBondContact O-N 2.91Å
216S96.4Very high96.7Very high66 Ų6641 Ų4146%0.46222%0.215SC..G310 helixtrans-60.8-29.2-178.972.80000112.8I218 G219 S240S216-I218 PolarHBondContact O-N 3.46Å; S216-I218 VanDerWaalsContact O-N 3.15Å; S216-G219 PolarHBondContact O-N 3.4Å; S216-G219 VanDerWaalsContact O-N 3.08Å; S216-S240 WeakPolarHBondContact CA-OG 3.18Å; S216-S240 WeakPolarHBondContact O-CB 3.26Å; S216-S240 PolarHBondContact O-OG 3.33Å
217E96.9Very high96.7Very high57 Ų5741.1 Ų41.127%0.26622%0.215SC..G310 helixtrans-61.4-21.9-177.8-70.178.2173.200112.1L193 G196 P215 G219 N220L193-E217 HydrophobicContact CB-CG 4.2Å; L193-E217 VanDerWaalsContact O-CB 3.28Å; L193-E217 WeakPolarHBondContact O-CB 3.13Å; G196-E217 WeakPolarHBondContact CA-O 3.42Å; P215-E217 PolarHBondContact O-N 3.38Å; E217-G219 PolarHBondContact O-N 3.41Å; E217-G219 VanDerWaalsContact O-N 3.11Å; E217-N220 VanDerWaalsContact O-CB 3.27Å; E217-N220 WeakPolarHBondContact O-CB 3.42Å; E217-N220 PolarHBondContact O-N 3.43Å; E217-N220 PolarHBondContact O-ND2 3.09Å
218I95.9Very high96.7Very high2 Ų242.2 Ų42.21%0.0122%0.221CC..G310 helixtrans-52.9-32.4171.9-156.674.2000111.9L195 L204 I214 P215 S216 N220 L221 P238 L241 L244L195-I218 HydrophobicContact CD2-CD1 4.15Å; L204-I218 HydrophobicContact CD2-CD1 3.88Å; I214-I218 HydrophobicContact CG2-CB 3.82Å; I214-I218 HydrophobicContact CG2-CD1 4.42Å; I214-I218 HydrophobicContact CG2-CG1 3.99Å; I214-I218 HydrophobicContact CG2-CG2 3.71Å; P215-I218 WeakPolarHBondContact O-CB 3.32Å; P215-I218 VanDerWaalsContact O-CG2 3.23Å; P215-I218 WeakPolarHBondContact O-CG2 3.08Å; P215-I218 PolarHBondContact O-N 2.91Å; S216-I218 PolarHBondContact O-N 3.46Å; S216-I218 VanDerWaalsContact O-N 3.15Å; I218-N220 PolarHBondContact O-N 3.16Å; I218-N220 VanDerWaalsContact O-N 3.16Å; I218-L221 HydrophobicContact CD1-CD1 3.65Å; I218-L221 HydrophobicContact CG1-CD1 4.1Å; I218-L221 WeakPolarHBondContact O-CB 3.32Å; I218-L221 WeakPolarHBondContact O-CG 3.41Å; I218-L221 PolarHBondContact O-N 3.21Å; I218-P238 HydrophobicContact CG2-CG 4.19Å; I218-L241 HydrophobicContact CG2-CD2 3.62Å; I218-L241 HydrophobicContact CG2-CG 4.3Å; I218-L244 WeakPolarHBondContact O-CD2 3.48Å
219G93.9Very high96.7Very high8 Ų838.2 Ų38.28%0.08220%0.202CC..G310 helixtrans-67.3-10.2178.400000114.9S216 E217 L221 S240S216-G219 PolarHBondContact O-N 3.4Å; S216-G219 VanDerWaalsContact O-N 3.08Å; E217-G219 PolarHBondContact O-N 3.41Å; E217-G219 VanDerWaalsContact O-N 3.11Å; G219-L221 VanDerWaalsContact C-N 3.32Å; G219-S240 VanDerWaalsContact CA-O 3.27Å; G219-S240 WeakPolarHBondContact CA-O 3.31Å
220N95.6Very high96.7Very high91 Ų9138.1 Ų38.149%0.48720%0.202SC..G310 helixtrans-81.5-9.3175.8-64.9-39000113.3G196 E217 I218 R222G196-N220 WeakPolarHBondContact O-CB 3.47Å; E217-N220 VanDerWaalsContact O-CB 3.27Å; E217-N220 WeakPolarHBondContact O-CB 3.42Å; E217-N220 PolarHBondContact O-N 3.43Å; E217-N220 PolarHBondContact O-ND2 3.09Å; I218-N220 PolarHBondContact O-N 3.16Å; I218-N220 VanDerWaalsContact O-N 3.16Å; N220-R222 PolarHBondContact O-N 2.98Å
221L96.1Very high96.7Very high0 Ų037.9 Ų37.90%021%0.205CC..  trans-73.368.9-179.9-61.9176000112.1L195 L198 L201 L204 I218 G219 S223 L224 L244L195-L221 WeakPolarHBondContact O-CD2 3.17Å; L198-L221 HydrophobicContact CB-CD2 3.88Å; L198-L221 VanDerWaalsContact O-CD2 3.22Å; L198-L221 WeakPolarHBondContact O-CD2 3.31Å; L201-L221 HydrophobicContact CB-CD2 4.32Å; L201-L221 HydrophobicContact CD2-CD1 4.18Å; L201-L221 HydrophobicContact CD2-CD2 4.43Å; L204-L221 HydrophobicContact CD2-CD1 4.22Å; I218-L221 HydrophobicContact CD1-CD1 3.65Å; I218-L221 HydrophobicContact CG1-CD1 4.1Å; I218-L221 WeakPolarHBondContact O-CB 3.32Å; I218-L221 WeakPolarHBondContact O-CG 3.41Å; I218-L221 PolarHBondContact O-N 3.21Å; G219-L221 VanDerWaalsContact C-N 3.32Å; L221-S223 PolarHBondContact O-N 3.15Å; L221-S223 VanDerWaalsContact O-N 3.1Å; L221-L224 HydrophobicContact CB-CB 3.9Å; L221-L224 HydrophobicContact CB-CD2 4.28Å; L221-L224 HydrophobicContact CD1-CD2 4.01Å; L221-L224 VanDerWaalsContact O-CB 3.23Å; L221-L224 WeakPolarHBondContact O-CB 3.43Å; L221-L224 PolarHBondContact O-N 2.97Å; L221-L244 HydrophobicContact CB-CD2 3.94Å; L221-L244 VanDerWaalsContact O-CD2 3.32Å; L221-L244 WeakPolarHBondContact O-CD2 3.31Å
222R91.5Very high96.8Very high190 Ų19038.4 Ų38.472%0.71721%0.207SC*.THydrogen-bonded Turntrans-60.2-24.6-171.4-67.7176.3-171-176.43.7114.6N220 S246N220-R222 PolarHBondContact O-N 2.98Å; R222-S246 VanDerWaalsContact O-CB 3.27Å; R222-S246 WeakPolarHBondContact O-CB 3.23Å; R222-S246 PolarHBondContact O-OG 2.88Å
223S96.6Very high96.9Very high49 Ų4940.3 Ų40.334%0.34321%0.21SC..THydrogen-bonded Turntrans-87.8-7.7178.1-57.40000113.6S199 L201 L221 S225S199-S223 VanDerWaalsContact O-CB 3.28Å; S199-S223 WeakPolarHBondContact O-CB 3.42Å; S199-S223 PolarHBondContact O-OG 2.91Å; L201-S223 CarbonylContact O-C 3.3Å; L201-S223 WeakPolarHBondContact O-CB 3.29Å; L221-S223 PolarHBondContact O-N 3.15Å; L221-S223 VanDerWaalsContact O-N 3.1Å; S223-S225 PolarHBondContact O-N 3.28Å
224L98.1Very high97Very high0 Ų036.5 Ų36.50%019%0.187CC..  trans-68.6122.5-170.6-163.571.2000111.2L201 L204 L221 L227 L244 S246 L247L201-L224 HydrophobicContact CD2-CD1 4.26Å; L201-L224 HydrophobicContact CG-CD1 4.14Å; L201-L224 VanDerWaalsContact O-CA 3.24Å; L201-L224 WeakPolarHBondContact O-CA 3.43Å; L201-L224 PolarHBondContact O-N 2.82Å; L201-L224 VanDerWaalsContact O-N 3.08Å; L204-L224 HydrophobicContact CB-CD1 3.82Å; L221-L224 HydrophobicContact CB-CB 3.9Å; L221-L224 HydrophobicContact CB-CD2 4.28Å; L221-L224 HydrophobicContact CD1-CD2 4.01Å; L221-L224 VanDerWaalsContact O-CB 3.23Å; L221-L224 WeakPolarHBondContact O-CB 3.43Å; L221-L224 PolarHBondContact O-N 2.97Å; L224-L227 HydrophobicContact CD2-CB 3.92Å; L224-L227 HydrophobicContact CD2-CD1 4.26Å; L224-L227 HydrophobicContact CD2-CD2 4.05Å; L224-L227 HydrophobicContact CD2-CG 4.29Å; L224-L244 HydrophobicContact CB-CD2 4.37Å; L224-L244 HydrophobicContact CD2-CD1 4.2Å; L224-L244 HydrophobicContact CD2-CD2 4.44Å; L224-S246 CarbonylContact O-C 3.15Å; L224-S246 WeakPolarHBondContact O-CB 3.35Å; L224-L247 HydrophobicContact CD2-CD1 4.47Å; L224-L247 HydrophobicContact CG-CD1 4.37Å; L224-L247 VanDerWaalsContact O-CA 3.31Å; L224-L247 WeakPolarHBondContact O-CA 3.17Å; L224-L247 PolarHBondContact O-N 2.89Å; L224-L247 VanDerWaalsContact O-N 3.14Å
225S97.9Very high96.9Very high18 Ų1841.3 Ų41.313%0.12621%0.209CC..  trans-111.2-29.4-176.370.40000112.6Q202 S223 R248 L249Q202-S225 PolarHBondContact O-N 2.98Å; Q202-S225 PolarHBondContact O-OG 3.43Å; S223-S225 PolarHBondContact O-N 3.28Å; S225-R248 WeakPolarHBondContact O-CA 3.26Å; S225-R248 WeakPolarHBondContact O-CB 3.33Å; S225-R248 PolarHBondContact O-N 3.32Å; S225-L249 PolarHBondContact O-N 3.16Å
226E98.5Very high96.9Very high62 Ų6243.4 Ų43.429%0.2922%0.224SC..EExtended strand (participates in β ladder)trans-133.7123.7179.5-59.1169.6-144.400109.2Q202 R203 L204 L249Q202-E226 PolarHBondContact O-N 3.5Å; Q202-E226 VanDerWaalsContact O-N 3.13Å; R203-E226 WeakPolarHBondContact CA-O 3.27Å; R203-E226 HydrophobicContact CB-CB 4.38Å; R203-E226 VanDerWaalsContact CD-OE2 3.29Å; R203-E226 WeakPolarHBondContact CD-OE2 3.28Å; R203-E226 HydrophobicContact CG-CB 4.08Å; R203-E226 HydrophobicContact CG-CG 4.37Å; R203-E226 IonicContact CZ-OE1 2.71Å; R203-E226 VanDerWaalsContact CZ-OE1 3.29Å; R203-E226 IonicContact CZ-OE2 3.29Å; R203-E226 IonicContact NE-OE1 3.39Å; R203-E226 PolarHBondContact NE-OE1 3.1Å; R203-E226 IonicContact NE-OE2 2.8Å; R203-E226 PolarHBondContact NE-OE2 2.91Å; R203-E226 IonicContact NH2-OE1 3.47Å; R203-E226 PolarHBondContact NH2-OE1 3.29Å; L204-E226 PolarHBondContact N-O 2.89Å; E226-L249 WeakPolarHBondContact CA-O 3.18Å; E226-L249 HydrophobicContact CB-CB 4.49Å; E226-L249 HydrophobicContact CB-CD2 4.45Å; E226-L249 HydrophobicContact CG-CB 4.17Å
227L98.4Very high96.8Very high1 Ų141 Ų411%0.00521%0.206CC..EExtended strand (participates in β ladder)trans-129.9114.5177.8177.653.9000109.4L204 L224 L229 L241 L244 L247 L249 L250 V251L204-L227 HydrophobicContact CB-CD1 4.02Å; L204-L227 HydrophobicContact CD2-CD1 4Å; L204-L227 HydrophobicContact CG-CD1 4Å; L204-L227 WeakPolarHBondContact O-CA 3.23Å; L224-L227 HydrophobicContact CD2-CB 3.92Å; L224-L227 HydrophobicContact CD2-CD1 4.26Å; L224-L227 HydrophobicContact CD2-CD2 4.05Å; L224-L227 HydrophobicContact CD2-CG 4.29Å; L227-L229 HydrophobicContact CD1-CD1 3.91Å; L227-L229 HydrophobicContact CD1-CG 3.95Å; L227-L229 HydrophobicContact CD2-CD1 3.82Å; L227-L229 HydrophobicContact CG-CD1 3.7Å; L227-L229 HydrophobicContact CG-CG 4.15Å; L227-L241 HydrophobicContact CD2-CD2 4.02Å; L227-L244 HydrophobicContact CD2-CD1 4.13Å; L227-L247 HydrophobicContact CB-CD1 3.86Å; L227-L249 PolarHBondContact N-O 3.33Å; L227-L250 HydrophobicContact CB-CD1 4.04Å; L227-L250 HydrophobicContact CD2-CD1 3.93Å; L227-L250 HydrophobicContact CG-CD1 3.9Å; L227-L250 WeakPolarHBondContact O-CA 3.28Å; L227-V251 PolarHBondContact O-N 3.46Å
228N98.6Very high96.8Very high30 Ų3039.5 Ų39.516%0.1620%0.201CC..EExtended strand (participates in β ladder)trans-111.8120.2176.4-176.812.4000110.7L204 D205 L206 S207 A230 V251L204-N228 PolarHBondContact O-N 3.4Å; D205-N228 HydrophobicContact CB-CB 4.33Å; D205-N228 VanDerWaalsContact CG-ND2 3.34Å; D205-N228 PolarHBondContact OD1-ND2 3.27Å; D205-N228 WeakPolarHBondContact OD2-CB 3.32Å; D205-N228 PolarHBondContact OD2-ND2 2.96Å; L206-N228 PolarHBondContact N-O 3.14Å; S207-N228 WeakPolarHBondContact CB-ND2 3.39Å; S207-N228 WeakPolarHBondContact CB-OD1 3.32Å; S207-N228 PolarHBondContact N-O 2.66Å; S207-N228 PolarHBondContact OG-ND2 3.14Å; N228-A230 VanDerWaalsContact OD1-CB 3.29Å; N228-A230 WeakPolarHBondContact OD1-CB 3.41Å; N228-A230 PolarHBondContact OD1-N 2.98Å; N228-V251 HydrophobicContact CB-CB 4.3Å; N228-V251 HydrophobicContact CB-CG2 4.25Å; N228-V251 WeakPolarHBondContact OD1-CB 3.28Å
229L98.3Very high96.7Very high1 Ų143 Ų431%0.00523%0.23CC..  trans-130.617-178.6-70.6156.2000110.6L206 L211 I214 L227 N232 L234 L250 V251 L252 N255L206-L229 HydrophobicContact CB-CD2 4.13Å; L206-L229 HydrophobicContact CD1-CD2 4.26Å; L211-L229 HydrophobicContact CD1-CD2 4.22Å; I214-L229 HydrophobicContact CD1-CD1 3.48Å; I214-L229 VanDerWaalsContact CD1-CD1 3.48Å; I214-L229 HydrophobicContact CD1-CD2 3.88Å; I214-L229 HydrophobicContact CD1-CG 4.29Å; I214-L229 HydrophobicContact CG1-CD2 4.39Å; L227-L229 HydrophobicContact CD1-CD1 3.91Å; L227-L229 HydrophobicContact CD1-CG 3.95Å; L227-L229 HydrophobicContact CD2-CD1 3.82Å; L227-L229 HydrophobicContact CG-CD1 3.7Å; L227-L229 HydrophobicContact CG-CG 4.15Å; L229-N232 PolarHBondContact O-ND2 3.03Å; L229-N232 VanDerWaalsContact O-ND2 3.16Å; L229-L234 HydrophobicContact CB-CD1 4.05Å; L229-L234 HydrophobicContact CD2-CD1 4.49Å; L229-L250 HydrophobicContact CD1-CD1 4.45Å; L229-V251 PolarHBondContact N-O 3.2Å; L229-L252 HydrophobicContact CB-CD2 3.93Å; L229-L252 HydrophobicContact CD1-CD2 3.91Å; L229-N255 PolarHBondContact O-ND2 3.22Å
230A98.4Very high96.7Very high4 Ų444.4 Ų44.43%0.03324%0.239CC..  trans-58.5155.4-179.200000112.6S207 E208 N228 N232 V251 H253S207-A230 CarbonylContact C-O 3.46Å; S207-A230 WeakPolarHBondContact CA-O 3.12Å; S207-A230 VanDerWaalsContact CB-O 3.23Å; S207-A230 WeakPolarHBondContact CB-O 3.01Å; E208-A230 PolarHBondContact N-O 3.1Å; N228-A230 VanDerWaalsContact OD1-CB 3.29Å; N228-A230 WeakPolarHBondContact OD1-CB 3.41Å; N228-A230 PolarHBondContact OD1-N 2.98Å; A230-N232 PolarHBondContact O-N 2.66Å; A230-N232 PolarHBondContact O-ND2 3.03Å; A230-N232 VanDerWaalsContact O-ND2 3.09Å; A230-V251 HydrophobicContact CB-CG1 3.91Å; A230-H253 CarbonylContact C-O 3.29Å; A230-H253 VanDerWaalsContact CA-O 3.23Å; A230-H253 WeakPolarHBondContact CA-O 3.48Å
231S98.3Very high96.7Very high45 Ų4540.1 Ų40.132%0.31522%0.216SC..SBendtrans53.950.7174.6-56.10000112.9E208 N209 H253 S254E208-S231 VanDerWaalsContact CA-O 3.31Å; E208-S231 WeakPolarHBondContact CA-O 3.43Å; E208-S231 PolarHBondContact N-O 3.14Å; N209-S231 PolarHBondContact N-O 3.35Å; S231-H253 PolarHBondContact N-O 3.03Å; S231-S254 VanDerWaalsContact CA-O 3.26Å; S231-S254 WeakPolarHBondContact CA-O 3.22Å; S231-S254 PolarHBondContact N-O 2.77Å
232N98.6Very high96.5Very high10 Ų1041.8 Ų41.85%0.05323%0.23CC..SBendtrans-122.5-168.6173.5-85.3-85.6000109.2L206 N209 L210 L211 L229 A230 L234 N255L206-N232 PolarHBondContact O-ND2 3.12Å; N209-N232 WeakPolarHBondContact CA-OD1 3.26Å; N209-N232 WeakPolarHBondContact CB-OD1 3.47Å; N209-N232 PolarHBondContact O-OD1 2.86Å; L210-N232 PolarHBondContact N-OD1 3.15Å; L211-N232 HydrophobicContact CB-CB 4.29Å; L211-N232 VanDerWaalsContact CB-OD1 3.26Å; L211-N232 WeakPolarHBondContact CB-OD1 3.22Å; L211-N232 WeakPolarHBondContact CG-OD1 3.29Å; L211-N232 PolarHBondContact N-OD1 3Å; L229-N232 PolarHBondContact O-ND2 3.03Å; L229-N232 VanDerWaalsContact O-ND2 3.16Å; A230-N232 PolarHBondContact O-N 2.66Å; A230-N232 PolarHBondContact O-ND2 3.03Å; A230-N232 VanDerWaalsContact O-ND2 3.09Å; N232-L234 HydrophobicContact CB-CD1 4.46Å; N232-L234 HydrophobicContact CB-CG 4.12Å; N232-N255 WeakPolarHBondContact CA-OD1 3.27Å; N232-N255 WeakPolarHBondContact CB-OD1 3.49Å; N232-N255 PolarHBondContact N-OD1 3.48Å; N232-N255 PolarHBondContact O-OD1 3.13Å
233R97.8Very high96.5Very high101 Ų10134.4 Ų34.438%0.38121%0.213SC..  trans-108.715-177.7-60.7177.4178.2163-2.2113.3L211 D212 Q235 N255 L256L211-R233 CarbonylContact O-C 3.33Å; L211-R233 WeakPolarHBondContact O-CA 3.32Å; L211-R233 PolarHBondContact O-N 3.15Å; D212-R233 WeakPolarHBondContact OD1-CB 3.44Å; D212-R233 VanDerWaalsContact OD1-CD 3.29Å; D212-R233 WeakPolarHBondContact OD1-CD 3.26Å; R233-Q235 PolarHBondContact O-N 3.18Å; R233-N255 PolarHBondContact N-OD1 3Å; R233-L256 HydrophobicContact CB-CD1 4.46Å
234L97.9Very high96.4Very high0 Ų032 Ų320%020%0.196CC..  trans-59.5119.7-168.9-59.3171.8000111.5L211 I214 L229 N232 L237 L252 N255 L256 L257L211-L234 HydrophobicContact CB-CD2 4.09Å; L211-L234 WeakPolarHBondContact O-CD2 3.04Å; L211-L234 PolarHBondContact O-N 3.2Å; I214-L234 HydrophobicContact CD1-CD1 3.8Å; I214-L234 HydrophobicContact CD1-CD2 4.07Å; I214-L234 HydrophobicContact CG1-CD1 4.3Å; I214-L234 HydrophobicContact CG1-CD2 3.66Å; L229-L234 HydrophobicContact CB-CD1 4.05Å; L229-L234 HydrophobicContact CD2-CD1 4.49Å; N232-L234 HydrophobicContact CB-CD1 4.46Å; N232-L234 HydrophobicContact CB-CG 4.12Å; L234-L237 HydrophobicContact CD1-CD2 4.24Å; L234-L252 HydrophobicContact CD1-CD2 4.17Å; L234-N255 HydrophobicContact CB-CB 4.36Å; L234-N255 VanDerWaalsContact CB-OD1 3.26Å; L234-N255 WeakPolarHBondContact CB-OD1 3.26Å; L234-N255 VanDerWaalsContact CG-OD1 3.27Å; L234-N255 WeakPolarHBondContact CG-OD1 3.29Å; L234-N255 PolarHBondContact N-OD1 3.42Å; L234-L256 CarbonylContact O-C 3.07Å; L234-L256 VanDerWaalsContact O-CA 3.26Å; L234-L256 WeakPolarHBondContact O-CA 3.35Å; L234-L256 PolarHBondContact O-N 3.46Å; L234-L257 HydrophobicContact CB-CD2 3.93Å; L234-L257 WeakPolarHBondContact O-CD2 3.44Å; L234-L257 PolarHBondContact O-N 2.93Å
235Q95.6Very high96.2Very high114 Ų11441 Ų4153%0.53323%0.23SC..SBendtrans-93-24.9179.4-57.3-178.330.900112.9R233 L256 T258R233-Q235 PolarHBondContact O-N 3.18Å; Q235-L256 HydrophobicContact CG-CB 4.16Å; Q235-T258 PolarHBondContact O-N 3.37Å; Q235-T258 PolarHBondContact O-OG1 3.41Å
236S94.8Very high96.1Very high62 Ų6242.1 Ų42.143%0.43424%0.238SC..  trans-151.6172.417967.20000110.4
237L96Very high96Very high17 Ų1739.2 Ų39.29%0.08922%0.224CC..  trans-129.8143.4177.7-60.9172000110.5I214 L234 L241 L252 L257 P261I214-L237 HydrophobicContact CD1-CD2 3.88Å; L234-L237 HydrophobicContact CD1-CD2 4.24Å; L237-L241 HydrophobicContact CB-CD1 3.88Å; L237-L241 HydrophobicContact CD1-CD1 4.11Å; L237-L241 HydrophobicContact CD2-CD1 4.14Å; L237-L241 HydrophobicContact CG-CD1 4.26Å; L237-L252 HydrophobicContact CD1-CD1 3.62Å; L237-L252 HydrophobicContact CD1-CD2 4.22Å; L237-L252 HydrophobicContact CD2-CD2 3.83Å; L237-L257 HydrophobicContact CD1-CD1 4.01Å; L237-L257 HydrophobicContact CD1-CD2 4.34Å; L237-L257 HydrophobicContact CD2-CD2 3.98Å; L237-L257 HydrophobicContact CG-CD1 4.28Å; L237-L257 HydrophobicContact CG-CD2 3.73Å; L237-P261 HydrophobicContact CB-CG 4Å
238P95.5Very high96Very high25 Ų2544.9 Ų44.916%0.16225%0.246CC..  trans-69.4136.6176.430.3-34.6000110.5I214 I218 S240 L241I214-P238 HydrophobicContact CB-CG 4.35Å; I218-P238 HydrophobicContact CG2-CG 4.19Å; P238-S240 PolarHBondContact O-N 2.93Å; P238-L241 HydrophobicContact CG-CG 4.34Å; P238-L241 PolarHBondContact O-N 2.91Å; P238-L241 VanDerWaalsContact O-N 3.1Å
239A93.9Very high96Very high74 Ų7445.6 Ų45.661%0.61225%0.249SC*.G310 helixtrans-60.1-20-179.700000113.5L241 A242A239-L241 PolarHBondContact O-N 2.96Å; A239-A242 WeakPolarHBondContact O-CB 3.42Å; A239-A242 PolarHBondContact O-N 3.06Å
240S95.3Very high95.9Very high39 Ų3945.6 Ų45.627%0.27325%0.249SC..G310 helixtrans-64.3-15175.156.80000114.6S216 G219 P238 A242 G243S216-S240 WeakPolarHBondContact CA-OG 3.18Å; S216-S240 WeakPolarHBondContact O-CB 3.26Å; S216-S240 PolarHBondContact O-OG 3.33Å; G219-S240 VanDerWaalsContact CA-O 3.27Å; G219-S240 WeakPolarHBondContact CA-O 3.31Å; P238-S240 PolarHBondContact O-N 2.93Å; S240-A242 PolarHBondContact O-N 3.4Å; S240-A242 VanDerWaalsContact O-N 3.16Å; S240-G243 WeakPolarHBondContact O-CA 3.11Å; S240-G243 PolarHBondContact O-N 3.31Å
241L94.8Very high95.9Very high0 Ų046 Ų460%025%0.252CS..G310 helixtrans-57.6-25.8169.7-74176.7000112.5I218 L227 L237 P238 A239 G243 L244 L264I218-L241 HydrophobicContact CG2-CD2 3.62Å; I218-L241 HydrophobicContact CG2-CG 4.3Å; L227-L241 HydrophobicContact CD2-CD2 4.02Å; L237-L241 HydrophobicContact CB-CD1 3.88Å; L237-L241 HydrophobicContact CD1-CD1 4.11Å; L237-L241 HydrophobicContact CD2-CD1 4.14Å; L237-L241 HydrophobicContact CG-CD1 4.26Å; P238-L241 HydrophobicContact CG-CG 4.34Å; P238-L241 PolarHBondContact O-N 2.91Å; P238-L241 VanDerWaalsContact O-N 3.1Å; A239-L241 PolarHBondContact O-N 2.96Å; L241-G243 PolarHBondContact O-N 2.85Å; L241-G243 VanDerWaalsContact O-N 3.17Å; L241-L244 HydrophobicContact CD2-CD1 3.57Å; L241-L244 WeakPolarHBondContact O-CB 3.47Å; L241-L244 WeakPolarHBondContact O-CG 3.22Å; L241-L244 PolarHBondContact O-N 3.36Å; L241-L244 VanDerWaalsContact O-N 3.11Å; L241-L264 HydrophobicContact CB-CD2 3.77Å
242A91.5Very high95.9Very high35 Ų3543.9 Ų43.929%0.28924%0.237SC..G310 helixtrans-65.2-11.6171.500000113.8A239 S240 L244A239-A242 WeakPolarHBondContact O-CB 3.42Å; A239-A242 PolarHBondContact O-N 3.06Å; S240-A242 PolarHBondContact O-N 3.4Å; S240-A242 VanDerWaalsContact O-N 3.16Å; A242-L244 VanDerWaalsContact C-N 3.33Å
243G91.1Very high95.9Very high35 Ų3545.5 Ų45.536%0.36124%0.244SC..G310 helixtrans-76-15.9171.800000114.4S240 L241 R245S240-G243 WeakPolarHBondContact O-CA 3.11Å; S240-G243 PolarHBondContact O-N 3.31Å; L241-G243 PolarHBondContact O-N 2.85Å; L241-G243 VanDerWaalsContact O-N 3.17Å; G243-R245 PolarHBondContact O-N 2.96Å
244L95.4Very high95.9Very high0 Ų042.8 Ų42.80%024%0.24CC..  trans-76.664.5-176.4-60.7178.4000112.5I218 L221 L224 L227 L241 A242 S246 L247I218-L244 WeakPolarHBondContact O-CD2 3.48Å; L221-L244 HydrophobicContact CB-CD2 3.94Å; L221-L244 VanDerWaalsContact O-CD2 3.32Å; L221-L244 WeakPolarHBondContact O-CD2 3.31Å; L224-L244 HydrophobicContact CB-CD2 4.37Å; L224-L244 HydrophobicContact CD2-CD1 4.2Å; L224-L244 HydrophobicContact CD2-CD2 4.44Å; L227-L244 HydrophobicContact CD2-CD1 4.13Å; L241-L244 HydrophobicContact CD2-CD1 3.57Å; L241-L244 WeakPolarHBondContact O-CB 3.47Å; L241-L244 WeakPolarHBondContact O-CG 3.22Å; L241-L244 PolarHBondContact O-N 3.36Å; L241-L244 VanDerWaalsContact O-N 3.11Å; A242-L244 VanDerWaalsContact C-N 3.33Å; L244-S246 PolarHBondContact O-N 3.32Å; L244-L247 HydrophobicContact CB-CB 3.93Å; L244-L247 HydrophobicContact CB-CD2 4.25Å; L244-L247 HydrophobicContact CD1-CD2 4Å; L244-L247 WeakPolarHBondContact O-CB 3.43Å; L244-L247 PolarHBondContact O-N 2.93Å
245R92.8Very high95.9Very high188 Ų18843.1 Ų43.171%0.70924%0.242SC*.THydrogen-bonded Turntrans-60-19.4-173.5-66.9-177.4179.8-174.6-0.6115.2G243G243-R245 PolarHBondContact O-N 2.96Å
246S96.6Very high96Very high42 Ų4241.1 Ų41.129%0.29424%0.235SC..THydrogen-bonded Turntrans-88.4-6.9177.2-59.90000113.7R222 L224 L244 R248R222-S246 VanDerWaalsContact O-CB 3.27Å; R222-S246 WeakPolarHBondContact O-CB 3.23Å; R222-S246 PolarHBondContact O-OG 2.88Å; L224-S246 CarbonylContact O-C 3.15Å; L224-S246 WeakPolarHBondContact O-CB 3.35Å; L244-S246 PolarHBondContact O-N 3.32Å; S246-R248 PolarHBondContact O-N 3.03Å
247L97.5Very high96.1Very high1 Ų138.2 Ų38.21%0.00521%0.214CC..  trans-70.2124.2-169-164.469.2000111.8L224 L227 L244 L250 L267 L269 I270L224-L247 HydrophobicContact CD2-CD1 4.47Å; L224-L247 HydrophobicContact CG-CD1 4.37Å; L224-L247 VanDerWaalsContact O-CA 3.31Å; L224-L247 WeakPolarHBondContact O-CA 3.17Å; L224-L247 PolarHBondContact O-N 2.89Å; L224-L247 VanDerWaalsContact O-N 3.14Å; L227-L247 HydrophobicContact CB-CD1 3.86Å; L244-L247 HydrophobicContact CB-CB 3.93Å; L244-L247 HydrophobicContact CB-CD2 4.25Å; L244-L247 HydrophobicContact CD1-CD2 4Å; L244-L247 WeakPolarHBondContact O-CB 3.43Å; L244-L247 PolarHBondContact O-N 2.93Å; L247-L250 HydrophobicContact CD2-CB 3.98Å; L247-L250 HydrophobicContact CD2-CD2 4.04Å; L247-L250 HydrophobicContact CD2-CG 4.4Å; L247-L267 HydrophobicContact CD2-CD1 4.09Å; L247-L269 CarbonylContact O-C 3.47Å; L247-L269 VanDerWaalsContact O-C 3.28Å; L247-I270 HydrophobicContact CD2-CD1 4.4Å; L247-I270 HydrophobicContact CG-CD1 4.29Å; L247-I270 WeakPolarHBondContact O-CA 3.21Å; L247-I270 PolarHBondContact O-N 3.12Å
248R97.3Very high95.9Very high119 Ų11941 Ų4145%0.44923%0.232SC..  trans-106.6-37.1178.7-56.8-178.3177.5-781.9111.7S225 S246 L269 T271 R272S225-R248 WeakPolarHBondContact O-CA 3.26Å; S225-R248 WeakPolarHBondContact O-CB 3.33Å; S225-R248 PolarHBondContact O-N 3.32Å; S246-R248 PolarHBondContact O-N 3.03Å; R248-L269 WeakPolarHBondContact CA-O 3.27Å; R248-L269 HydrophobicContact CG-CB 4.47Å; R248-T271 PolarHBondContact O-N 2.91Å; R248-T271 PolarHBondContact O-OG1 3.2Å; R248-T271 VanDerWaalsContact O-OG1 3.1Å; R248-R272 PolarHBondContact O-N 2.91Å
249L97.9Very high95.8Very high46 Ų4642.9 Ų42.924%0.24125%0.246CC..EExtended strand (participates in β ladder)trans-133119.7-172.8-176.6153.5000109.3S225 E226 L227 V251 R272S225-L249 PolarHBondContact O-N 3.16Å; E226-L249 WeakPolarHBondContact CA-O 3.18Å; E226-L249 HydrophobicContact CB-CB 4.49Å; E226-L249 HydrophobicContact CB-CD2 4.45Å; E226-L249 HydrophobicContact CG-CB 4.17Å; L227-L249 PolarHBondContact N-O 3.33Å; L249-V251 HydrophobicContact CD2-CG2 3.39Å; L249-V251 HydrophobicContact CG-CG2 4.4Å; L249-R272 HydrophobicContact CG-CB 4.43Å
250L97.8Very high95.7Very high1 Ų140 Ų401%0.00522%0.221CC..EExtended strand (participates in β ladder)trans-123.6115.1174.8-179.349.8000109.1L227 L229 L247 L252 L264 I270 R272 L273 D274L227-L250 HydrophobicContact CB-CD1 4.04Å; L227-L250 HydrophobicContact CD2-CD1 3.93Å; L227-L250 HydrophobicContact CG-CD1 3.9Å; L227-L250 WeakPolarHBondContact O-CA 3.28Å; L229-L250 HydrophobicContact CD1-CD1 4.45Å; L247-L250 HydrophobicContact CD2-CB 3.98Å; L247-L250 HydrophobicContact CD2-CD2 4.04Å; L247-L250 HydrophobicContact CD2-CG 4.4Å; L250-L252 HydrophobicContact CD1-CD1 4.06Å; L250-L252 HydrophobicContact CD1-CD2 4.4Å; L250-L252 HydrophobicContact CD1-CG 3.95Å; L250-L252 HydrophobicContact CD2-CD1 3.87Å; L250-L252 HydrophobicContact CG-CD1 3.72Å; L250-L252 HydrophobicContact CG-CG 4.03Å; L250-L264 HydrophobicContact CD2-CD1 3.92Å; L250-I270 HydrophobicContact CB-CD1 4.2Å; L250-R272 PolarHBondContact N-O 3.16Å; L250-L273 HydrophobicContact CB-CD1 4.04Å; L250-L273 HydrophobicContact CD2-CD1 3.86Å; L250-L273 HydrophobicContact CG-CD1 3.91Å; L250-L273 WeakPolarHBondContact O-CA 3.22Å; L250-D274 PolarHBondContact O-N 2.96Å
251V98.3Very high95.5Very high13 Ų1339.2 Ų39.28%0.07921%0.214CC..EExtended strand (participates in β ladder)trans-108.4123.1176.4-159.30000109.4L227 N228 L229 A230 L249 H253 D274L227-V251 PolarHBondContact O-N 3.46Å; N228-V251 HydrophobicContact CB-CB 4.3Å; N228-V251 HydrophobicContact CB-CG2 4.25Å; N228-V251 WeakPolarHBondContact OD1-CB 3.28Å; L229-V251 PolarHBondContact N-O 3.2Å; A230-V251 HydrophobicContact CB-CG1 3.91Å; L249-V251 HydrophobicContact CD2-CG2 3.39Å; L249-V251 HydrophobicContact CG-CG2 4.4Å; V251-H253 WeakPolarHBondContact CG1-CD2 3.4Å; V251-D274 HydrophobicContact CG1-CB 4.01Å
252L97.8Very high95Very high0 Ų044 Ų440%024%0.244CC..  trans-135.29.8-175.9-73.2164.2000111.6L229 L234 L237 L250 N255 L257 L273 D274 L275 N278L229-L252 HydrophobicContact CB-CD2 3.93Å; L229-L252 HydrophobicContact CD1-CD2 3.91Å; L234-L252 HydrophobicContact CD1-CD2 4.17Å; L237-L252 HydrophobicContact CD1-CD1 3.62Å; L237-L252 HydrophobicContact CD1-CD2 4.22Å; L237-L252 HydrophobicContact CD2-CD2 3.83Å; L250-L252 HydrophobicContact CD1-CD1 4.06Å; L250-L252 HydrophobicContact CD1-CD2 4.4Å; L250-L252 HydrophobicContact CD1-CG 3.95Å; L250-L252 HydrophobicContact CD2-CD1 3.87Å; L250-L252 HydrophobicContact CG-CD1 3.72Å; L250-L252 HydrophobicContact CG-CG 4.03Å; L252-N255 WeakPolarHBondContact O-CB 3.41Å; L252-N255 PolarHBondContact O-ND2 3.48Å; L252-L257 HydrophobicContact CB-CD1 4.1Å; L252-L257 HydrophobicContact CD1-CD1 4.26Å; L252-L257 HydrophobicContact CD2-CD1 4.33Å; L252-L257 HydrophobicContact CG-CD1 4.49Å; L252-L273 HydrophobicContact CD1-CD1 4.21Å; L252-D274 CarbonylContact C-O 3.58Å; L252-D274 WeakPolarHBondContact CA-O 3.23Å; L252-D274 PolarHBondContact N-O 3.11Å; L252-L275 HydrophobicContact CB-CD2 3.95Å; L252-L275 HydrophobicContact CD1-CD2 3.66Å; L252-L275 HydrophobicContact CG-CD2 4.49Å; L252-N278 PolarHBondContact O-ND2 3.16Å
253H97.7Very high94.7Very high43 Ų4343.3 Ų43.320%0.19924%0.24CC..  trans-65.4158.3-173.471.472.2000112.5A230 S231 V251 N255 D274 R276A230-H253 CarbonylContact C-O 3.29Å; A230-H253 VanDerWaalsContact CA-O 3.23Å; A230-H253 WeakPolarHBondContact CA-O 3.48Å; S231-H253 PolarHBondContact N-O 3.03Å; V251-H253 WeakPolarHBondContact CG1-CD2 3.4Å; H253-N255 PolarHBondContact O-ND2 2.94Å; H253-D274 PolarHBondContact N-O 3.08Å; H253-R276 CarbonylContact C-O 3.18Å; H253-R276 WeakPolarHBondContact CA-O 3.3Å; H253-R276 HydrophobicContact CB-CB 3.89Å; H253-R276 VanDerWaalsContact CB-O 3.32Å; H253-R276 WeakPolarHBondContact CB-O 3.48Å; H253-R276 PolarHBondContact CD2-NH2 3.16Å; H253-R276 VanDerWaalsContact CD2-NH2 3.27Å
254S98.1Very high94.5Very high45 Ų4541.8 Ų41.832%0.31522%0.224SC..SBendtrans6048.2177.6-42.90000112.1S231 R276 D277S231-S254 VanDerWaalsContact CA-O 3.26Å; S231-S254 WeakPolarHBondContact CA-O 3.22Å; S231-S254 PolarHBondContact N-O 2.77Å; S254-R276 PolarHBondContact N-O 3.22Å; S254-D277 VanDerWaalsContact CA-O 3.23Å; S254-D277 WeakPolarHBondContact CA-O 3.25Å; S254-D277 PolarHBondContact N-O 3.02Å
255N98.4Very high93.9Very high6 Ų643.7 Ų43.73%0.03224%0.236CC..SBendtrans-125.9-172.1178.1-88.8-85.2000110.2L229 N232 R233 L234 L252 H253 L257 D277 N278L229-N255 PolarHBondContact O-ND2 3.22Å; N232-N255 WeakPolarHBondContact CA-OD1 3.27Å; N232-N255 WeakPolarHBondContact CB-OD1 3.49Å; N232-N255 PolarHBondContact N-OD1 3.48Å; N232-N255 PolarHBondContact O-OD1 3.13Å; R233-N255 PolarHBondContact N-OD1 3Å; L234-N255 HydrophobicContact CB-CB 4.36Å; L234-N255 VanDerWaalsContact CB-OD1 3.26Å; L234-N255 WeakPolarHBondContact CB-OD1 3.26Å; L234-N255 VanDerWaalsContact CG-OD1 3.27Å; L234-N255 WeakPolarHBondContact CG-OD1 3.29Å; L234-N255 PolarHBondContact N-OD1 3.42Å; L252-N255 WeakPolarHBondContact O-CB 3.41Å; L252-N255 PolarHBondContact O-ND2 3.48Å; H253-N255 PolarHBondContact O-ND2 2.94Å; N255-L257 HydrophobicContact CB-CG 4.28Å; N255-D277 PolarHBondContact N-O 3.07Å; N255-N278 WeakPolarHBondContact CA-OD1 3.31Å; N255-N278 WeakPolarHBondContact CB-OD1 3.28Å; N255-N278 PolarHBondContact O-OD1 2.64Å
256L97.3Very high93.4Very high73 Ų7341.8 Ų41.838%0.38223%0.234SC..  trans-108.819.2-178.3-59179.7000112.9R233 L234 Q235 T258R233-L256 HydrophobicContact CB-CD1 4.46Å; L234-L256 CarbonylContact O-C 3.07Å; L234-L256 VanDerWaalsContact O-CA 3.26Å; L234-L256 WeakPolarHBondContact O-CA 3.35Å; L234-L256 PolarHBondContact O-N 3.46Å; Q235-L256 HydrophobicContact CG-CB 4.16Å; L256-T258 PolarHBondContact O-N 3.14Å
257L96.6Very high93.2Very high0 Ų040.2 Ų40.20%022%0.222CC..  trans-61.8125-170.4-63175.1000111.1L234 L237 L252 N255 L275 N278 R279 L280L234-L257 HydrophobicContact CB-CD2 3.93Å; L234-L257 WeakPolarHBondContact O-CD2 3.44Å; L234-L257 PolarHBondContact O-N 2.93Å; L237-L257 HydrophobicContact CD1-CD1 4.01Å; L237-L257 HydrophobicContact CD1-CD2 4.34Å; L237-L257 HydrophobicContact CD2-CD2 3.98Å; L237-L257 HydrophobicContact CG-CD1 4.28Å; L237-L257 HydrophobicContact CG-CD2 3.73Å; L252-L257 HydrophobicContact CB-CD1 4.1Å; L252-L257 HydrophobicContact CD1-CD1 4.26Å; L252-L257 HydrophobicContact CD2-CD1 4.33Å; L252-L257 HydrophobicContact CG-CD1 4.49Å; N255-L257 HydrophobicContact CB-CG 4.28Å; L257-L275 HydrophobicContact CD1-CD2 3.97Å; L257-N278 HydrophobicContact CB-CB 4.38Å; L257-N278 WeakPolarHBondContact CB-OD1 3.35Å; L257-N278 VanDerWaalsContact CG-OD1 3.26Å; L257-N278 WeakPolarHBondContact CG-OD1 3.45Å; L257-N278 PolarHBondContact N-OD1 3.29Å; L257-R279 CarbonylContact O-C 3.28Å; L257-R279 WeakPolarHBondContact O-CA 3.46Å; L257-R279 WeakPolarHBondContact O-CB 3.49Å; L257-R279 PolarHBondContact O-N 3.2Å; L257-L280 HydrophobicContact CB-CD2 4Å; L257-L280 WeakPolarHBondContact O-CD2 3.28Å; L257-L280 PolarHBondContact O-N 3.22Å; L257-L280 VanDerWaalsContact O-N 3.08Å
258T93.5Very high92.8Very high75 Ų7544.7 Ų44.746%0.4625%0.252SS..SBendtrans-94.8-24.1176.953.80000112.9Q235 L256 R279Q235-T258 PolarHBondContact O-N 3.37Å; Q235-T258 PolarHBondContact O-OG1 3.41Å; L256-T258 PolarHBondContact O-N 3.14Å; T258-R279 HydrophobicContact CG2-CB 4.43Å
259S91.7Very high92.7Very high65 Ų6542.4 Ų42.446%0.45525%0.248SC..  trans-152.3165.6178.556.70000110.7
260V92.3Very high92.5Very high15 Ų1541.1 Ų41.19%0.09124%0.241CC..  trans-129.7138.1180179.80000109.5T262 L264 L275 L280 L283 L287V260-T262 PolarHBondContact O-N 3.25Å; V260-L264 HydrophobicContact CG1-CB 4.47Å; V260-L264 HydrophobicContact CG1-CD1 3.53Å; V260-L264 HydrophobicContact CG1-CG 4.13Å; V260-L275 HydrophobicContact CG2-CD1 4Å; V260-L275 HydrophobicContact CG2-CD2 3.89Å; V260-L280 HydrophobicContact CG2-CD1 4.04Å; V260-L280 HydrophobicContact CG2-CD2 3.75Å; V260-L283 HydrophobicContact CB-CD2 4.1Å; V260-L283 HydrophobicContact CG2-CD2 4.02Å; V260-L287 HydrophobicContact CG1-CD1 4.39Å
261P90.9Very high92.3Very high21 Ų2145.6 Ų45.614%0.13627%0.269CS..  trans-60.2127.8177.4-24.734.5000112.6L237 G263 L264L237-P261 HydrophobicContact CB-CG 4Å; P261-G263 PolarHBondContact O-N 3.33Å; P261-L264 WeakPolarHBondContact O-CG 3.43Å; P261-L264 PolarHBondContact O-N 3.39Å
262T84.2Confident92.2Very high101 Ų10148.8 Ų48.862%0.6228%0.279SS*.G310 helixtrans-58.1-23178.952.60000113.7V260 L264 V265 H266V260-T262 PolarHBondContact O-N 3.25Å; T262-L264 PolarHBondContact O-N 3.07Å; T262-V265 WeakPolarHBondContact O-CG2 3.27Å; T262-V265 PolarHBondContact O-N 2.84Å; T262-H266 PolarHBondContact O-ND1 2.81Å
263G85.6Confident92.1Very high21 Ų2148.9 Ų48.922%0.21628%0.28CS..G310 helixtrans-63.5-2117300000114.7P261 V265 H266P261-G263 PolarHBondContact O-N 3.33Å; G263-V265 VanDerWaalsContact C-N 3.25Å; G263-V265 PolarHBondContact O-N 3.11Å; G263-H266 PolarHBondContact O-N 2.84Å; G263-H266 VanDerWaalsContact O-N 3.07Å
264L87.5Confident92.1Very high2 Ų246.9 Ų46.91%0.0127%0.27CS..G310 helixtrans-66.7-26.4178.3-60.9-163.1000113.1L241 L250 V260 P261 T262 H266 L267L241-L264 HydrophobicContact CB-CD2 3.77Å; L250-L264 HydrophobicContact CD2-CD1 3.92Å; V260-L264 HydrophobicContact CG1-CB 4.47Å; V260-L264 HydrophobicContact CG1-CD1 3.53Å; V260-L264 HydrophobicContact CG1-CG 4.13Å; P261-L264 WeakPolarHBondContact O-CG 3.43Å; P261-L264 PolarHBondContact O-N 3.39Å; T262-L264 PolarHBondContact O-N 3.07Å; L264-H266 PolarHBondContact O-N 3.17Å; L264-L267 HydrophobicContact CD2-CD1 4.01Å; L264-L267 PolarHBondContact O-N 2.94Å
265V81.6Confident92Very high41 Ų4144.7 Ų44.725%0.24826%0.255CS..G310 helixtrans-59.7-28.7172.8-175.80000111.5T262 G263 P284 E286 L287T262-V265 WeakPolarHBondContact O-CG2 3.27Å; T262-V265 PolarHBondContact O-N 2.84Å; G263-V265 VanDerWaalsContact C-N 3.25Å; G263-V265 PolarHBondContact O-N 3.11Å; V265-P284 HydrophobicContact CG2-CG 4.39Å; V265-E286 HydrophobicContact CG1-CB 3.74Å; V265-E286 HydrophobicContact CG2-CB 4.48Å; V265-L287 HydrophobicContact CG2-CD1 4.19Å; V265-L287 HydrophobicContact CG2-CD2 3.77Å; V265-L287 HydrophobicContact CG2-CG 3.69Å
266H83.6Confident92Very high147 Ų14746.8 Ų46.868%0.68126%0.263SS*.G310 helixtrans-968.6-170.8-59.682.5000113.2T262 G263 L264 P268T262-H266 PolarHBondContact O-ND1 2.81Å; G263-H266 PolarHBondContact O-N 2.84Å; G263-H266 VanDerWaalsContact O-N 3.07Å; L264-H266 PolarHBondContact O-N 3.17Å; H266-P268 WeakPolarHBondContact O-CD 3.34Å
267L90.9Very high92Very high9 Ų947 Ų475%0.04726%0.264CS..  trans-73.8114.3177.3-71.3178.8000110.4L247 L264 L269 I270L247-L267 HydrophobicContact CD2-CD1 4.09Å; L264-L267 HydrophobicContact CD2-CD1 4.01Å; L264-L267 PolarHBondContact O-N 2.94Å; L267-L269 VanDerWaalsContact C-N 3.25Å; L267-L269 PolarHBondContact O-N 3.48Å; L267-L269 VanDerWaalsContact O-N 3.14Å; L267-I270 HydrophobicContact CB-CB 4.05Å; L267-I270 HydrophobicContact CB-CG2 4.24Å; L267-I270 HydrophobicContact CD1-CD1 4.46Å; L267-I270 WeakPolarHBondContact O-CG2 3.4Å
268P89.7Confident92Very high95 Ų9547 Ų4762%0.61727%0.265SS*.THydrogen-bonded Turntrans-75.5-8.5-163.930.7-37.5000114.9H266H266-P268 WeakPolarHBondContact O-CD 3.34Å
269L94.6Very high92.2Very high71 Ų7150.1 Ų50.137%0.37227%0.268SS..THydrogen-bonded Turntrans-125.36.5-175-66178.9000113.6L247 R248 L267 T271L247-L269 CarbonylContact O-C 3.47Å; L247-L269 VanDerWaalsContact O-C 3.28Å; R248-L269 WeakPolarHBondContact CA-O 3.27Å; R248-L269 HydrophobicContact CG-CB 4.47Å; L267-L269 VanDerWaalsContact C-N 3.25Å; L267-L269 PolarHBondContact O-N 3.48Å; L267-L269 VanDerWaalsContact O-N 3.14Å; L269-T271 PolarHBondContact O-N 2.97Å
270I94.4Very high92.3Very high20 Ų2047 Ų4710%0.10325%0.246CC..  trans-67.5124.1-176.8-161.368.8000110.4L247 L250 L267 F292L247-I270 HydrophobicContact CD2-CD1 4.4Å; L247-I270 HydrophobicContact CG-CD1 4.29Å; L247-I270 WeakPolarHBondContact O-CA 3.21Å; L247-I270 PolarHBondContact O-N 3.12Å; L250-I270 HydrophobicContact CB-CD1 4.2Å; L267-I270 HydrophobicContact CB-CB 4.05Å; L267-I270 HydrophobicContact CB-CG2 4.24Å; L267-I270 HydrophobicContact CD1-CD1 4.46Å; L267-I270 WeakPolarHBondContact O-CG2 3.4Å; I270-F292 HydrophobicContact CG1-CD2 4.45Å; I270-F292 HydrophobicContact CG1-CE2 4.49Å; I270-F292 HydrophobicContact CG2-CD2 4.13Å; I270-F292 HydrophobicContact CG2-CE2 3.7Å; I270-F292 HydrophobicContact CG2-CZ 3.94Å
271T94.7Very high92.2Very high94 Ų9449.2 Ų49.258%0.57725%0.253SS*.  trans-117.3-15.3178.664.30000112.8R248 L269 F292R248-T271 PolarHBondContact O-N 2.91Å; R248-T271 PolarHBondContact O-OG1 3.2Å; R248-T271 VanDerWaalsContact O-OG1 3.1Å; L269-T271 PolarHBondContact O-N 2.97Å; T271-F292 WeakPolarHBondContact O-CB 3.42Å
272R95.8Very high92Very high81 Ų8154.4 Ų54.431%0.30628%0.279SS..EExtended strand (participates in β ladder)trans-149.8126.4171.4-178.6173.6175.8-179.4-6.2111.5R248 L249 L250 D274 F292R248-R272 PolarHBondContact O-N 2.91Å; L249-R272 HydrophobicContact CG-CB 4.43Å; L250-R272 PolarHBondContact N-O 3.16Å; R272-D274 HydrophobicContact CG-CB 4.49Å; R272-D274 IonicContact CZ-OD2 2.7Å; R272-D274 IonicContact NE-OD2 3.95Å; R272-D274 PolarHBondContact NE-OD2 3.23Å; R272-D274 IonicContact NH2-OD2 3.46Å; R272-D274 PolarHBondContact NH2-OD2 3.16Å; R272-F292 WeakPolarHBondContact CA-O 3.27Å
273L96.3Very high92.1Very high2 Ų250.8 Ų50.81%0.0126%0.256CS..EExtended strand (participates in β ladder)trans-122.9103.5169.3174.955.3000108.8L250 L252 L275 L287 F292 V293 R294L250-L273 HydrophobicContact CB-CD1 4.04Å; L250-L273 HydrophobicContact CD2-CD1 3.86Å; L250-L273 HydrophobicContact CG-CD1 3.91Å; L250-L273 WeakPolarHBondContact O-CA 3.22Å; L252-L273 HydrophobicContact CD1-CD1 4.21Å; L273-L275 HydrophobicContact CD1-CD1 4.16Å; L273-L275 HydrophobicContact CD1-CD2 4.32Å; L273-L275 HydrophobicContact CD1-CG 3.94Å; L273-L275 HydrophobicContact CD2-CD1 3.9Å; L273-L275 HydrophobicContact CG-CD1 3.81Å; L273-L275 HydrophobicContact CG-CG 3.96Å; L273-L287 HydrophobicContact CD2-CD2 4.05Å; L273-F292 HydrophobicContact CB-CD2 4.14Å; L273-F292 HydrophobicContact CB-CE2 4.46Å; L273-F292 PolarHBondContact N-O 2.95Å; L273-V293 HydrophobicContact CB-CG2 4.31Å; L273-V293 HydrophobicContact CD2-CG1 4.32Å; L273-V293 HydrophobicContact CD2-CG2 4.25Å; L273-V293 HydrophobicContact CG-CG1 4.29Å; L273-V293 CarbonylContact O-C 3.48Å; L273-V293 VanDerWaalsContact O-CA 3.31Å; L273-V293 WeakPolarHBondContact O-CA 3.26Å; L273-R294 PolarHBondContact O-N 3.2Å
274D97.1Very high92.1Very high0 Ų051.7 Ų51.70%026%0.258CS..EExtended strand (participates in β ladder)trans-102.395.4-172.9-157.3-24000111L250 V251 L252 H253 R272 R276L250-D274 PolarHBondContact O-N 2.96Å; V251-D274 HydrophobicContact CG1-CB 4.01Å; L252-D274 CarbonylContact C-O 3.58Å; L252-D274 WeakPolarHBondContact CA-O 3.23Å; L252-D274 PolarHBondContact N-O 3.11Å; H253-D274 PolarHBondContact N-O 3.08Å; R272-D274 HydrophobicContact CG-CB 4.49Å; R272-D274 IonicContact CZ-OD2 2.7Å; R272-D274 IonicContact NE-OD2 3.95Å; R272-D274 PolarHBondContact NE-OD2 3.23Å; R272-D274 IonicContact NH2-OD2 3.46Å; R272-D274 PolarHBondContact NH2-OD2 3.16Å; D274-R276 WeakPolarHBondContact OD1-CG 3.4Å; D274-R276 IonicContact OD1-CZ 3.4Å; D274-R276 IonicContact OD1-NE 2.72Å; D274-R276 PolarHBondContact OD1-NE 3.37Å; D274-R276 IonicContact OD1-NH2 3.26Å; D274-R276 PolarHBondContact OD1-NH2 3.34Å; D274-R276 IonicContact OD2-CZ 3.61Å; D274-R276 IonicContact OD2-NE 3.46Å; D274-R276 PolarHBondContact OD2-NE 3.21Å; D274-R276 IonicContact OD2-NH2 2.85Å; D274-R276 PolarHBondContact OD2-NH2 2.92Å
275L96.4Very high91.9Very high0 Ų054.3 Ų54.30%028%0.28CS..  trans-106.518.5-174.9-72165.9000112.4L252 L257 V260 L273 N278 L280 V293 R294 L295 N298L252-L275 HydrophobicContact CB-CD2 3.95Å; L252-L275 HydrophobicContact CD1-CD2 3.66Å; L252-L275 HydrophobicContact CG-CD2 4.49Å; L257-L275 HydrophobicContact CD1-CD2 3.97Å; V260-L275 HydrophobicContact CG2-CD1 4Å; V260-L275 HydrophobicContact CG2-CD2 3.89Å; L273-L275 HydrophobicContact CD1-CD1 4.16Å; L273-L275 HydrophobicContact CD1-CD2 4.32Å; L273-L275 HydrophobicContact CD1-CG 3.94Å; L273-L275 HydrophobicContact CD2-CD1 3.9Å; L273-L275 HydrophobicContact CG-CD1 3.81Å; L273-L275 HydrophobicContact CG-CG 3.96Å; L275-N278 PolarHBondContact O-ND2 3.37Å; L275-L280 HydrophobicContact CB-CD1 4.06Å; L275-L280 HydrophobicContact CD1-CD1 4.21Å; L275-L280 HydrophobicContact CD2-CD1 4.35Å; L275-L280 HydrophobicContact CG-CD1 4.46Å; L275-V293 HydrophobicContact CD1-CG1 4.12Å; L275-R294 CarbonylContact C-O 3.45Å; L275-R294 VanDerWaalsContact C-O 3.29Å; L275-R294 WeakPolarHBondContact CA-O 3.39Å; L275-R294 WeakPolarHBondContact CB-O 3.41Å; L275-R294 PolarHBondContact N-O 3.21Å; L275-L295 HydrophobicContact CB-CD2 4.08Å; L275-L295 HydrophobicContact CD1-CD2 4.05Å; L275-N298 PolarHBondContact O-ND2 3.25Å
276R97.5Very high92.2Very high49 Ų4958.1 Ų58.119%0.18530%0.295CS..  trans-61.1157.2-175.5-67.2178.9-71.2121.37.6112.6H253 S254 D274 N278 R294 Q296H253-R276 CarbonylContact C-O 3.18Å; H253-R276 WeakPolarHBondContact CA-O 3.3Å; H253-R276 HydrophobicContact CB-CB 3.89Å; H253-R276 VanDerWaalsContact CB-O 3.32Å; H253-R276 WeakPolarHBondContact CB-O 3.48Å; H253-R276 PolarHBondContact CD2-NH2 3.16Å; H253-R276 VanDerWaalsContact CD2-NH2 3.27Å; S254-R276 PolarHBondContact N-O 3.22Å; D274-R276 WeakPolarHBondContact OD1-CG 3.4Å; D274-R276 IonicContact OD1-CZ 3.4Å; D274-R276 IonicContact OD1-NE 2.72Å; D274-R276 PolarHBondContact OD1-NE 3.37Å; D274-R276 IonicContact OD1-NH2 3.26Å; D274-R276 PolarHBondContact OD1-NH2 3.34Å; D274-R276 IonicContact OD2-CZ 3.61Å; D274-R276 IonicContact OD2-NE 3.46Å; D274-R276 PolarHBondContact OD2-NE 3.21Å; D274-R276 IonicContact OD2-NH2 2.85Å; D274-R276 PolarHBondContact OD2-NH2 2.92Å; R276-N278 PolarHBondContact O-N 3.22Å; R276-N278 PolarHBondContact O-ND2 3.26Å; R276-R294 HydrophobicContact CG-CB 3.72Å; R276-R294 PolarHBondContact N-O 3.19Å; R276-Q296 CarbonylContact C-O 3.58Å; R276-Q296 WeakPolarHBondContact CA-O 3.26Å; R276-Q296 VanDerWaalsContact CB-O 3.32Å; R276-Q296 WeakPolarHBondContact CB-O 3.26Å; R276-Q296 HydrophobicContact CG-CB 4Å
277D97.3Very high92.3Very high78 Ų7851.2 Ų51.242%0.41726%0.263SS..SBendtrans52.751.8171.1-47.2-55.5000112.6S254 N255 Q296S254-D277 VanDerWaalsContact CA-O 3.23Å; S254-D277 WeakPolarHBondContact CA-O 3.25Å; S254-D277 PolarHBondContact N-O 3.02Å; N255-D277 PolarHBondContact N-O 3.07Å; D277-Q296 PolarHBondContact N-O 3.3Å
278N97.4Very high92Very high1 Ų154.8 Ų54.81%0.00528%0.282CS..SBendtrans-124.7-168.3-179.6-92.1-88.2000110.5L252 N255 L257 L275 R276 L280 N298L252-N278 PolarHBondContact O-ND2 3.16Å; N255-N278 WeakPolarHBondContact CA-OD1 3.31Å; N255-N278 WeakPolarHBondContact CB-OD1 3.28Å; N255-N278 PolarHBondContact O-OD1 2.64Å; L257-N278 HydrophobicContact CB-CB 4.38Å; L257-N278 WeakPolarHBondContact CB-OD1 3.35Å; L257-N278 VanDerWaalsContact CG-OD1 3.26Å; L257-N278 WeakPolarHBondContact CG-OD1 3.45Å; L257-N278 PolarHBondContact N-OD1 3.29Å; L275-N278 PolarHBondContact O-ND2 3.37Å; R276-N278 PolarHBondContact O-N 3.22Å; R276-N278 PolarHBondContact O-ND2 3.26Å; N278-L280 HydrophobicContact CB-CG 4.27Å; N278-N298 VanDerWaalsContact CA-OD1 3.29Å; N278-N298 WeakPolarHBondContact CA-OD1 3.37Å; N278-N298 WeakPolarHBondContact CB-OD1 3.09Å; N278-N298 PolarHBondContact O-OD1 3.1Å
279R96Very high91.7Very high140 Ų14057.1 Ų57.153%0.52829%0.289SS..  trans-115.225.3-176.8-57.1-58.1-177.6-173.40.6113.1L257 T258 N298L257-R279 CarbonylContact O-C 3.28Å; L257-R279 WeakPolarHBondContact O-CA 3.46Å; L257-R279 WeakPolarHBondContact O-CB 3.49Å; L257-R279 PolarHBondContact O-N 3.2Å; T258-R279 HydrophobicContact CG2-CB 4.43Å; R279-N298 PolarHBondContact N-OD1 2.61Å
280L93.9Very high91.3Very high0 Ų054.4 Ų54.40%028%0.277CS..  trans-69.3129.4-179.4-54.4172.3000110.1L257 V260 L275 N278 L283 N298 P299 L300L257-L280 HydrophobicContact CB-CD2 4Å; L257-L280 WeakPolarHBondContact O-CD2 3.28Å; L257-L280 PolarHBondContact O-N 3.22Å; L257-L280 VanDerWaalsContact O-N 3.08Å; V260-L280 HydrophobicContact CG2-CD1 4.04Å; V260-L280 HydrophobicContact CG2-CD2 3.75Å; L275-L280 HydrophobicContact CB-CD1 4.06Å; L275-L280 HydrophobicContact CD1-CD1 4.21Å; L275-L280 HydrophobicContact CD2-CD1 4.35Å; L275-L280 HydrophobicContact CG-CD1 4.46Å; N278-L280 HydrophobicContact CB-CG 4.27Å; L280-L283 HydrophobicContact CD1-CD1 4.2Å; L280-L283 HydrophobicContact CD1-CD2 4.37Å; L280-N298 HydrophobicContact CB-CB 4.21Å; L280-N298 VanDerWaalsContact CB-OD1 3.26Å; L280-N298 WeakPolarHBondContact CB-OD1 3.29Å; L280-N298 VanDerWaalsContact CG-OD1 3.26Å; L280-N298 WeakPolarHBondContact CG-OD1 3.39Å; L280-N298 PolarHBondContact N-OD1 3.04Å; L280-P299 CarbonylContact O-C 3.02Å; L280-P299 VanDerWaalsContact O-CD 3.28Å; L280-P299 WeakPolarHBondContact O-CD 3.33Å; L280-L300 HydrophobicContact CB-CD2 4.13Å; L280-L300 PolarHBondContact O-N 3.15Å
281R90.3Very high91Very high60 Ų6059.8 Ų59.823%0.22631%0.313CS..  trans-106.7-48.4175.5-72-179171.681.515112.1P299 L300 G301 E302R281-P299 HydrophobicContact CG-CG 4.24Å; R281-L300 WeakPolarHBondContact O-CA 3.39Å; R281-L300 WeakPolarHBondContact O-CD2 3.42Å; R281-G301 PolarHBondContact O-N 3.18Å; R281-E302 WeakPolarHBondContact CD-O 3.28Å
282D87Confident90.7Very high131 Ų13158.1 Ų58.170%0.70130%0.298SS*.  trans-121.3140.4-179.1-57.5-65.9000109.9
283L87.3Confident90.6Very high25 Ų2555.2 Ų55.213%0.13129%0.289CS..  trans-140.4152.9172.8-71.9176.2000109.3V260 L280 L287 L288 L295 L300V260-L283 HydrophobicContact CB-CD2 4.1Å; V260-L283 HydrophobicContact CG2-CD2 4.02Å; L280-L283 HydrophobicContact CD1-CD1 4.2Å; L280-L283 HydrophobicContact CD1-CD2 4.37Å; L283-L287 HydrophobicContact CB-CB 4.48Å; L283-L287 HydrophobicContact CD2-CD1 4.23Å; L283-L288 HydrophobicContact CB-CD2 3.96Å; L283-L288 HydrophobicContact CB-CG 4.3Å; L283-L288 HydrophobicContact CD1-CD2 4.21Å; L283-L295 HydrophobicContact CD1-CD1 3.98Å; L283-L295 HydrophobicContact CD1-CD2 3.5Å; L283-L295 HydrophobicContact CD1-CG 4.4Å; L283-L300 HydrophobicContact CD1-CD2 4.23Å; L283-L300 HydrophobicContact CG-CD2 4.33Å
284P84.8Confident90.6Very high40 Ų4060.5 Ų60.526%0.2631%0.309SS..  trans-58143.8167.626.9-35.2000110.4V265 E286 L287 L288V265-P284 HydrophobicContact CG2-CG 4.39Å; P284-E286 WeakPolarHBondContact CB-OE2 3.36Å; P284-E286 PolarHBondContact O-N 3.5Å; P284-E286 VanDerWaalsContact O-N 3.14Å; P284-L287 HydrophobicContact CG-CB 4.4Å; P284-L287 HydrophobicContact CG-CD1 3.89Å; P284-L287 HydrophobicContact CG-CG 4.02Å; P284-L287 PolarHBondContact O-N 3.45Å; P284-L288 PolarHBondContact O-N 3.08Å
285A84.3Confident90.4Very high56 Ų5661.8 Ų61.846%0.46332%0.316SS..Hα-helixtrans-57.9-32.4-175.700000112.2L287 L288 D289A285-L287 PolarHBondContact O-N 2.91Å; A285-L287 VanDerWaalsContact O-N 3.12Å; A285-L288 PolarHBondContact O-N 2.93Å; A285-D289 PolarHBondContact O-N 3.13Å; A285-D289 VanDerWaalsContact O-N 3.14Å
286E86.2Confident90.3Very high122 Ų12268.4 Ų68.457%0.5735%0.347SS*.Hα-helixtrans-60.5-16.6174.9-57.790.1154.500114.1V265 P284 A290V265-E286 HydrophobicContact CG1-CB 3.74Å; V265-E286 HydrophobicContact CG2-CB 4.48Å; P284-E286 WeakPolarHBondContact CB-OE2 3.36Å; P284-E286 PolarHBondContact O-N 3.5Å; P284-E286 VanDerWaalsContact O-N 3.14Å; E286-A290 VanDerWaalsContact O-CB 3.31Å; E286-A290 WeakPolarHBondContact O-CB 3.48Å
287L85.5Confident90Very high1 Ų168.6 Ų68.61%0.00536%0.364CS..Hα-helixtrans-99.9-20.6169.6-69.8-180000113.8V260 V265 L273 L283 P284 A285 V293V260-L287 HydrophobicContact CG1-CD1 4.39Å; V265-L287 HydrophobicContact CG2-CD1 4.19Å; V265-L287 HydrophobicContact CG2-CD2 3.77Å; V265-L287 HydrophobicContact CG2-CG 3.69Å; L273-L287 HydrophobicContact CD2-CD2 4.05Å; L283-L287 HydrophobicContact CB-CB 4.48Å; L283-L287 HydrophobicContact CD2-CD1 4.23Å; P284-L287 HydrophobicContact CG-CB 4.4Å; P284-L287 HydrophobicContact CG-CD1 3.89Å; P284-L287 HydrophobicContact CG-CG 4.02Å; P284-L287 PolarHBondContact O-N 3.45Å; A285-L287 PolarHBondContact O-N 2.91Å; A285-L287 VanDerWaalsContact O-N 3.12Å; L287-V293 HydrophobicContact CD2-CG2 4.08Å
288L85.1Confident89.9Confident85 Ų8565.9 Ų65.945%0.44535%0.349SS..Hα-helixtrans-75.8-44180-63.8178.4000111.2L283 P284 A285 L295 L300L283-L288 HydrophobicContact CB-CD2 3.96Å; L283-L288 HydrophobicContact CB-CG 4.3Å; L283-L288 HydrophobicContact CD1-CD2 4.21Å; P284-L288 PolarHBondContact O-N 3.08Å; A285-L288 PolarHBondContact O-N 2.93Å; L288-L295 HydrophobicContact CD2-CD1 3.77Å; L288-L300 HydrophobicContact CD2-CD1 4.21Å
289D83.1Confident89.7Confident143 Ų14366.6 Ų66.677%0.76535%0.354SS*.SBendtrans-88.8-4.2-177.8-65.3-36.2000113.7A285A285-D289 PolarHBondContact O-N 3.13Å; A285-D289 VanDerWaalsContact O-N 3.14Å
290A87.1Confident89.3Confident14 Ų1462.9 Ų62.912%0.11634%0.344CS..  trans-78.8118.7-172.800000112.8E286 F292 V293E286-A290 VanDerWaalsContact O-CB 3.31Å; E286-A290 WeakPolarHBondContact O-CB 3.48Å; A290-F292 HydrophobicContact CB-CD1 4.22Å; A290-F292 HydrophobicContact CB-CE1 3.76Å; A290-F292 HydrophobicContact CB-CE2 4.37Å; A290-F292 HydrophobicContact CB-CZ 3.84Å; A290-F292 PolarHBondContact O-N 3.01Å; A290-V293 HydrophobicContact CB-CB 4.48Å; A290-V293 HydrophobicContact CB-CG2 3.6Å; A290-V293 WeakPolarHBondContact O-CB 3.22Å; A290-V293 PolarHBondContact O-N 3.2Å
291P86.9Confident88.6Confident134 Ų13466.1 Ų66.187%0.8738%0.377SS*.THydrogen-bonded Turntrans-70.7-11.3-170.128.8-37000114.8
292F89.3Confident88.2Confident59 Ų5969.1 Ų69.126%0.25939%0.394SS..THydrogen-bonded Turntrans-86.7-10173.458.8-96.6000113.3I270 T271 R272 L273 A290I270-F292 HydrophobicContact CG1-CD2 4.45Å; I270-F292 HydrophobicContact CG1-CE2 4.49Å; I270-F292 HydrophobicContact CG2-CD2 4.13Å; I270-F292 HydrophobicContact CG2-CE2 3.7Å; I270-F292 HydrophobicContact CG2-CZ 3.94Å; T271-F292 WeakPolarHBondContact O-CB 3.42Å; R272-F292 WeakPolarHBondContact CA-O 3.27Å; L273-F292 HydrophobicContact CB-CD2 4.14Å; L273-F292 HydrophobicContact CB-CE2 4.46Å; L273-F292 PolarHBondContact N-O 2.95Å; A290-F292 HydrophobicContact CB-CD1 4.22Å; A290-F292 HydrophobicContact CB-CE1 3.76Å; A290-F292 HydrophobicContact CB-CE2 4.37Å; A290-F292 HydrophobicContact CB-CZ 3.84Å; A290-F292 PolarHBondContact O-N 3.01Å
293V94Very high87.3Confident19 Ų1967.1 Ų67.112%0.11540%0.396CS..EExtended strand (participates in β ladder)trans-93.1139.1-176.9-1680000110.3L273 L275 L287 A290 L295L273-V293 HydrophobicContact CB-CG2 4.31Å; L273-V293 HydrophobicContact CD2-CG1 4.32Å; L273-V293 HydrophobicContact CD2-CG2 4.25Å; L273-V293 HydrophobicContact CG-CG1 4.29Å; L273-V293 CarbonylContact O-C 3.48Å; L273-V293 VanDerWaalsContact O-CA 3.31Å; L273-V293 WeakPolarHBondContact O-CA 3.26Å; L275-V293 HydrophobicContact CD1-CG1 4.12Å; L287-V293 HydrophobicContact CD2-CG2 4.08Å; A290-V293 HydrophobicContact CB-CB 4.48Å; A290-V293 HydrophobicContact CB-CG2 3.6Å; A290-V293 WeakPolarHBondContact O-CB 3.22Å; A290-V293 PolarHBondContact O-N 3.2Å; V293-L295 HydrophobicContact CG1-CD1 4.43Å; V293-L295 HydrophobicContact CG1-CD2 3.67Å; V293-L295 HydrophobicContact CG1-CG 3.87Å
294R95.1Very high86.2Confident113 Ų11370.1 Ų70.143%0.42642%0.419SS..EExtended strand (participates in β ladder)trans-120.2116.5174.6-58.3-176.3175.6-164.9-4.6110.3L273 L275 R276L273-R294 PolarHBondContact O-N 3.2Å; L275-R294 CarbonylContact C-O 3.45Å; L275-R294 VanDerWaalsContact C-O 3.29Å; L275-R294 WeakPolarHBondContact CA-O 3.39Å; L275-R294 WeakPolarHBondContact CB-O 3.41Å; L275-R294 PolarHBondContact N-O 3.21Å; R276-R294 HydrophobicContact CG-CB 3.72Å; R276-R294 PolarHBondContact N-O 3.19Å
295L94.3Very high85.3Confident27 Ų2772.5 Ų72.514%0.14143%0.434CS..  trans-115.9-0.7-170.9-61.1176.4000114.8L275 L283 L288 V293 N298 L300L275-L295 HydrophobicContact CB-CD2 4.08Å; L275-L295 HydrophobicContact CD1-CD2 4.05Å; L283-L295 HydrophobicContact CD1-CD1 3.98Å; L283-L295 HydrophobicContact CD1-CD2 3.5Å; L283-L295 HydrophobicContact CD1-CG 4.4Å; L288-L295 HydrophobicContact CD2-CD1 3.77Å; V293-L295 HydrophobicContact CG1-CD1 4.43Å; V293-L295 HydrophobicContact CG1-CD2 3.67Å; V293-L295 HydrophobicContact CG1-CG 3.87Å; L295-N298 WeakPolarHBondContact O-CB 3.47Å; L295-N298 PolarHBondContact O-N 3.06Å; L295-N298 PolarHBondContact O-ND2 3.22Å; L295-L300 HydrophobicContact CB-CD1 3.98Å; L295-L300 HydrophobicContact CD1-CD1 3.99Å; L295-L300 HydrophobicContact CG-CD1 4.5Å
296Q93.5Very high83.9Confident140 Ų14074 Ų7465%0.65445%0.446SS*.THydrogen-bonded Turntrans-51.3138.9-179-61160.3-25.200111.6R276 D277R276-Q296 CarbonylContact C-O 3.58Å; R276-Q296 WeakPolarHBondContact CA-O 3.26Å; R276-Q296 VanDerWaalsContact CB-O 3.32Å; R276-Q296 WeakPolarHBondContact CB-O 3.26Å; R276-Q296 HydrophobicContact CG-CB 4Å; D277-Q296 PolarHBondContact N-O 3.3Å
297G92.4Very high82.5Confident52 Ų5273.4 Ų73.454%0.53645%0.453SS..THydrogen-bonded Turntrans81.610.318000000115.8
298N94.3Very high81Confident22 Ų2279.3 Ų79.312%0.11849%0.492CS..  trans-99.8144.9171.5-74.8-86.9000112.3L275 N278 R279 L280 L295 L300L275-N298 PolarHBondContact O-ND2 3.25Å; N278-N298 VanDerWaalsContact CA-OD1 3.29Å; N278-N298 WeakPolarHBondContact CA-OD1 3.37Å; N278-N298 WeakPolarHBondContact CB-OD1 3.09Å; N278-N298 PolarHBondContact O-OD1 3.1Å; R279-N298 PolarHBondContact N-OD1 2.61Å; L280-N298 HydrophobicContact CB-CB 4.21Å; L280-N298 VanDerWaalsContact CB-OD1 3.26Å; L280-N298 WeakPolarHBondContact CB-OD1 3.29Å; L280-N298 VanDerWaalsContact CG-OD1 3.26Å; L280-N298 WeakPolarHBondContact CG-OD1 3.39Å; L280-N298 PolarHBondContact N-OD1 3.04Å; L295-N298 WeakPolarHBondContact O-CB 3.47Å; L295-N298 PolarHBondContact O-N 3.06Å; L295-N298 PolarHBondContact O-ND2 3.22Å; N298-L300 HydrophobicContact CB-CD1 4.5Å; N298-L300 HydrophobicContact CB-CD2 4.5Å; N298-L300 HydrophobicContact CB-CG 3.96Å; N298-L300 PolarHBondContact O-N 3.34Å
299P92.9Very high79.2Confident16 Ų1680.3 Ų80.310%0.10451%0.506CS..  trans-77.853.7175.735.4-37.8000112.4L280 R281 G301 E302L280-P299 CarbonylContact O-C 3.02Å; L280-P299 VanDerWaalsContact O-CD 3.28Å; L280-P299 WeakPolarHBondContact O-CD 3.33Å; R281-P299 HydrophobicContact CG-CG 4.24Å; P299-G301 PolarHBondContact O-N 3.29Å; P299-E302 HydrophobicContact CB-CB 4.16Å; P299-E302 HydrophobicContact CB-CG 4.1Å; P299-E302 VanDerWaalsContact CB-OE2 3.26Å; P299-E302 WeakPolarHBondContact CB-OE2 3.22Å; P299-E302 WeakPolarHBondContact O-CB 3.22Å; P299-E302 PolarHBondContact O-N 3.22Å
300L88.1Confident77.8Confident62 Ų6278.7 Ų78.733%0.32550%0.503SS..THydrogen-bonded Turntrans-66.7130.3-176-69.4173.2000111.7L280 R281 L283 L288 L295 N298 E302L280-L300 HydrophobicContact CB-CD2 4.13Å; L280-L300 PolarHBondContact O-N 3.15Å; R281-L300 WeakPolarHBondContact O-CA 3.39Å; R281-L300 WeakPolarHBondContact O-CD2 3.42Å; L283-L300 HydrophobicContact CD1-CD2 4.23Å; L283-L300 HydrophobicContact CG-CD2 4.33Å; L288-L300 HydrophobicContact CD2-CD1 4.21Å; L295-L300 HydrophobicContact CB-CD1 3.98Å; L295-L300 HydrophobicContact CD1-CD1 3.99Å; L295-L300 HydrophobicContact CG-CD1 4.5Å; N298-L300 HydrophobicContact CB-CD1 4.5Å; N298-L300 HydrophobicContact CB-CD2 4.5Å; N298-L300 HydrophobicContact CB-CG 3.96Å; N298-L300 PolarHBondContact O-N 3.34Å; L300-E302 PolarHBondContact O-N 3.26Å
301G79.8Confident76.2Confident67 Ų6783.3 Ų83.369%0.69153%0.532SS*.THydrogen-bonded Turntrans72.8-0.6-176.100000115.3R281 P299R281-G301 PolarHBondContact O-N 3.18Å; P299-G301 PolarHBondContact O-N 3.29Å
302E81.4Confident74.2Confident123 Ų12383.3 Ų83.358%0.57553%0.525SS*.PPolyproline II helixtrans-75.7131.7169.4-64.2-175.1-178.200110.1R281 P299 L300R281-E302 WeakPolarHBondContact CD-O 3.28Å; P299-E302 HydrophobicContact CB-CB 4.16Å; P299-E302 HydrophobicContact CB-CG 4.1Å; P299-E302 VanDerWaalsContact CB-OE2 3.26Å; P299-E302 WeakPolarHBondContact CB-OE2 3.22Å; P299-E302 WeakPolarHBondContact O-CB 3.22Å; P299-E302 PolarHBondContact O-N 3.22Å; L300-E302 PolarHBondContact O-N 3.26Å
303A68.2Low72.2Confident90 Ų9086.9 Ų86.974%0.74455%0.545SS*.PPolyproline II helixtrans-56.5150.2171.900000111.1
304S64.4Low70Confident88 Ų8890.4 Ų90.462%0.61557%0.57SS**PPolyproline II helixtrans-55.9134.9170-175.90000109.4A306S304-A306 PolarHBondContact O-N 3.24Å
305P66.3Low67.7Low90 Ų9093.9 Ų93.958%0.58459%0.592SS**PPolyproline II helixtrans-54.3132.2168.524.7-34000107.8
306A54.1Low65.4Low86 Ų8697.8 Ų97.871%0.71162%0.616SS**PPolyproline II helixtrans-57.5142.8174.500000108.8S304S304-A306 PolarHBondContact O-N 3.24Å
307P57.2Low63.1Low111 Ų11196.5 Ų96.572%0.72162%0.62SS**PPolyproline II helixtrans-55141.1169.926.2-34.1000108.4S309P307-S309 PolarHBondContact O-N 3.14Å; P307-S309 VanDerWaalsContact O-N 3.14Å
308P52.7Low60.6Low125 Ų125103.5 Ų103.581%0.81264%0.639SS**PPolyproline II helixtrans-56.1125.818023.9-33.2000108.8
309S48.2Very low57.8Low106 Ų106110.6 Ų110.674%0.74167%0.673SS**PPolyproline II helixtrans-48.5136.7173.9-47.20000108.9P307P307-S309 PolarHBondContact O-N 3.14Å; P307-S309 VanDerWaalsContact O-N 3.14Å
310P53.3Low55.4Low108 Ų108115.4 Ų115.470%0.70170%0.704SS**PPolyproline II helixtrans-54.6138.3173.124.6-33.3000108.6D312P310-D312 PolarHBondContact O-N 3.39Å
311P53.3Low53.3Low111 Ų111123.6 Ų123.672%0.72173%0.731SS**PPolyproline II helixtrans-56.9138.1179.125-34.1000109.1I313P311-I313 WeakPolarHBondContact O-CG1 3.15Å; P311-I313 PolarHBondContact O-N 2.88Å
312D45.2Very low51.3Low135 Ų135128.5 Ų128.572%0.72274%0.741SS**  trans-60.8104.6-173.7-172.1-14.6000110.5P310 S314P310-D312 PolarHBondContact O-N 3.39Å; D312-S314 PolarHBondContact O-N 2.6Å; D312-S314 VanDerWaalsContact OD1-CB 3.26Å; D312-S314 WeakPolarHBondContact OD1-CB 3.26Å; D312-S314 PolarHBondContact OD1-N 3.4Å; D312-S314 PolarHBondContact OD1-OG 2.95Å
313I47.6Very low49.2Very low133 Ų133130.1 Ų130.168%0.68275%0.752SS**  trans-80.541.8-174-36.4-178.2000110.9P311 V316P311-I313 WeakPolarHBondContact O-CG1 3.15Å; P311-I313 PolarHBondContact O-N 2.88Å; I313-V316 HydrophobicContact CG2-CB 4.45Å; I313-V316 HydrophobicContact CG2-CG2 3.74Å
314S47.9Very low47.6Very low93 Ų93134.1 Ų134.165%0.6576%0.76SS**SBendtrans-91.4-3.2178.9-67.70000113.8D312D312-S314 PolarHBondContact O-N 2.6Å; D312-S314 VanDerWaalsContact OD1-CB 3.26Å; D312-S314 WeakPolarHBondContact OD1-CB 3.26Å; D312-S314 PolarHBondContact OD1-N 3.4Å; D312-S314 PolarHBondContact OD1-OG 2.95Å
315Q47.4Very low46.2Very low187 Ų187135.5 Ų135.587%0.87477%0.765SS**  trans-140.242.5-179-65-165.9-2.200114.6
316V44.4Very low44.9Very low109 Ų109136.9 Ų136.966%0.66178%0.777SS**PPolyproline II helixtrans-94.8119.1161.5-178.60000108.2I313I313-V316 HydrophobicContact CG2-CB 4.45Å; I313-V316 HydrophobicContact CG2-CG2 3.74Å
317P45.7Very low44.2Very low113 Ų113139.3 Ų139.373%0.73478%0.778SS**PPolyproline II helixtrans-66.4138.8174.228.2-33.6000110.2M319P317-M319 PolarHBondContact O-N 3.31Å; P317-M319 VanDerWaalsContact O-N 3.13Å
318E40.3Very low43.3Very low198 Ų198141.8 Ų141.893%0.92578%0.784SS**PPolyproline II helixtrans-60.8117-174.8-70.7-168.3111.200112.4
319M34.3Very low42.5Very low172 Ų172143.4 Ų143.485%0.84779%0.786SS**PPolyproline II helixtrans-73.7126.4167.7-171174.8-179.900108.8P317 R321P317-M319 PolarHBondContact O-N 3.31Å; P317-M319 VanDerWaalsContact O-N 3.13Å; M319-R321 PolarHBondContact O-N 3.14Å
320P43.5Very low41.9Very low116 Ų116143.6 Ų143.675%0.75379%0.788SS**PPolyproline II helixtrans-65.1120-170.324.3-33.9000111.6L322P320-L322 PolarHBondContact O-N 3.32Å; P320-L322 VanDerWaalsContact O-N 3.12Å
321R43.8Very low41Very low234 Ų234148.3 Ų148.388%0.88380%0.797SS**  trans-71103.6177.2-72.9-179.4170.9176.1-2.2110.7M319 L323M319-R321 PolarHBondContact O-N 3.14Å; R321-L323 PolarHBondContact O-N 3.4Å
322L37.2Very low39.9Very low171 Ų171152.1 Ų152.190%0.89581%0.806SS**  trans-68.199.5166.6-74.5171.1000109.8P320 L324P320-L322 PolarHBondContact O-N 3.32Å; P320-L322 VanDerWaalsContact O-N 3.12Å; L322-L324 PolarHBondContact O-N 3.32Å
323L37.8Very low39.1Very low157 Ų157154.8 Ų154.882%0.82281%0.814SS**  trans-77.6105.7169.3-70.2170000109.1R321 T325R321-L323 PolarHBondContact O-N 3.4Å; L323-T325 PolarHBondContact O-N 3.13Å
324L35Very low38.1Very low174 Ų174157 Ų15791%0.91182%0.821SS**  trans-69.8109.8166.6-80.8159.2000109.1L322L322-L324 PolarHBondContact O-N 3.32Å
325T34Very low37.3Very low116 Ų116158 Ų15871%0.71283%0.826SS**  trans-71.3131.9172.9470000110.4L323 D327L323-T325 PolarHBondContact O-N 3.13Å; T325-D327 VanDerWaalsContact C-N 3.27Å; T325-D327 PolarHBondContact O-N 3.19Å
326S39Very low36.5Very low120 Ų120154.9 Ų154.984%0.83982%0.821SS**SBendtrans-82.556.2-168.756.70000113.7
327D40.9Very low35.9Very low137 Ų137155.6 Ų155.673%0.73383%0.828SS**  trans-133.237.5-173.7-67.4-71.3000113.1T325T325-D327 VanDerWaalsContact C-N 3.27Å; T325-D327 PolarHBondContact O-N 3.19Å
328L37Very low35Very low163 Ų163162.2 Ų162.285%0.85384%0.838SS**  trans-139.277.3170.6-76-179.8000111.8
329D37.3Very low34.6Very low158 Ų158161.2 Ų161.285%0.84584%0.839SS**  trans-65.1154.3158.4-91.6-45.4000111
330S35.8Very low34.2Very low111 Ų111158.5 Ų158.578%0.77684%0.836SS**  trans80.586.6174.9-44.80000117.5
331F33.1Very low34.1Very low207 Ų207159 Ų15991%0.90884%0.84SS**  trans-98.8120.6140.5-86.3-87.4000108.7
332Q29.8Very low33.2Very low191 Ų191153.1 Ų153.189%0.89384%0.835SS**  trans-78.8143.5172.6-72-158.9-5.100111.1
333Q28.1Very low32.8Very low191 Ų191151.4 Ų151.489%0.89383%0.832SS**  trans-9994-176.4-173.2176.840.200110.1
334E28.1Very low32.5Very low180 Ų180151.8 Ų151.884%0.84183%0.832SS**PPolyproline II helixtrans-73.2135.2171.4-69.2-162.8144.500111.4
335P30.5Very low32.1Very low114 Ų114150.6 Ų150.674%0.7483%0.827SS**PPolyproline II helixtrans-81150174.333.2-34.2000111.7
336P30.8Very low32.1Very low120 Ų120150.1 Ų150.178%0.77983%0.828SS**PPolyproline II helixtrans-70.1139.4-174.827.9-35.2000113
337P32.3Very low31.5Very low125 Ų125148 Ų14881%0.81283%0.826SS**PPolyproline II helixtrans-72149.7176.429.9-34.8000112.2
338R27.4Very low31Very low251 Ų251147.7 Ų147.795%0.94783%0.833SS**PPolyproline II helixtrans-83.1136.9176.5-63.8-179178.9-171.5-0.8111.1
339L30.6Very low30.9Very low178 Ų178146 Ų14693%0.93283%0.831SS**PPolyproline II helixtrans-87.2136.1171.3-74166.9000111.9
340S26.2Very low31Very low114 Ų114143.6 Ų143.680%0.79783%0.827SS**  trans-149.9156.5158.7640000109.3
341P40.7Very low31.2Very low127 Ų127147.8 Ų147.883%0.82584%0.835SS**  trans-118.1147.1-139.639-30.8000116.5
342S25.6Very low31.2Very low111 Ų111142.3 Ų142.378%0.77683%0.828SS**  trans-161.8156.6153.558.50000113.9
343T28.6Very low31.3Very low135 Ų135145.6 Ų145.683%0.82883%0.832SS**  trans67.7104.315919.80000119.8
344I32Very low31.7Very low164 Ų164141.2 Ų141.284%0.84182%0.822SS**  trans-55.1137.2155.4-63.3150.1000111.3
345D25.6Very low31.9Very low149 Ų149139.9 Ų139.980%0.79782%0.82SS**  -153.6-176.7123.5-143.1-33.6000110.7
346S34.8Very low32.1Very low106 Ų106145.6 Ų145.674%0.74183%0.827SS**  trans-115.2151-148.852.10000114.1
347G27.1Very low32.2Very low76 Ų76146.8 Ų146.878%0.78483%0.827SS**  trans153.186.3171.500000115.6
348C29Very low32.2Very low130 Ų130148.2 Ų148.288%0.87883%0.827SS**  trans-83.7142.8152.7-74.60000108.5
349P35.3Very low32.3Very low127 Ų127145 Ų14583%0.82583%0.825SS**  -133.6160.189.337.9-28.4000114.8
350S40.1Very low32.5Very low108 Ų108142 Ų14276%0.75581%0.814SS**  trans-83.8125.9-178.552.80000113.5
351Q40.1Very low32.8Very low200 Ų200142 Ų14294%0.93581%0.814SS**  trans178.296.7146.8-102.516631.400110.8
352A33.5Very low32.4Very low92 Ų92141.9 Ų141.976%0.7682%0.815SS**  trans-160.4-3.7174.600000116.7
353W31.1Very low32.5Very low259 Ų259143.9 Ų143.998%0.98182%0.816SS**  trans-114.186.6-172-76.935.8000110.8
354S37.4Very low32.5Very low99 Ų99144.3 Ų144.369%0.69282%0.818SS**  trans-156.321179.2580000114.8
355L32.1Very low32.3Very low152 Ų152141.3 Ų141.380%0.79681%0.807SS**SBendtrans-134.17.4-176-80.4173.5000115.6
356W34.2Very low32.3Very low234 Ų234139.1 Ų139.189%0.88680%0.804SS**SBendtrans-104.1-33.7177.6-88.875.3000114.2L358W356-L358 PolarHBondContact O-N 3.35Å; W356-L358 VanDerWaalsContact O-N 3.14Å
357D31.9Very low31.8Very low145 Ų145145 Ų14578%0.77581%0.81SS**THydrogen-bonded Turntrans-76.31.9-175.1-60.2-59.7000115.3
358L33Very low31.7Very low155 Ų155146.8 Ų146.881%0.81281%0.81SS**THydrogen-bonded Turntrans-98.63.2-177.1-107.4163000114.3W356W356-L358 PolarHBondContact O-N 3.35Å; W356-L358 VanDerWaalsContact O-N 3.14Å
359M30.1Very low31.5Very low183 Ų183145.8 Ų145.890%0.90180%0.804SS**SBendtrans-122.36.8-172.6-125.2175.7-175.800115.8
360T33.9Very low31Very low116 Ų116145 Ų14571%0.71280%0.801SS**  trans-95.5-10.3-177.72.50000114.8C362T360-C362 PolarHBondContact O-N 3.12Å
361S31.9Very low30.8Very low114 Ų114145.4 Ų145.480%0.79780%0.801SS**SBendtrans-95.149.9-173.4-64.60000114.6
362C33.3Very low30.2Very low125 Ų125145.5 Ų145.585%0.84580%0.804SS**  trans-168.376.7162-106.50000113.3T360T360-C362 PolarHBondContact O-N 3.12Å
363L27.6Very low29.8Very low153 Ų153143.9 Ų143.980%0.80180%0.796SS**  trans-156.292.5164.6-117.7160.1000112V365L363-V365 HydrophobicContact CD2-CG2 4.02Å; L363-V365 PolarHBondContact O-N 3.06Å
364V27.7Very low29.6Very low144 Ų144143.2 Ų143.287%0.87379%0.794SS**  trans-81.8100.7170.6178.20000108.4S366V364-S366 PolarHBondContact O-N 3.26Å
365V28.7Very low29.1Very low100 Ų100145.4 Ų145.461%0.60680%0.797SS**  trans-87.299.8173.9-177.60000109.1L363 W367L363-V365 HydrophobicContact CD2-CG2 4.02Å; L363-V365 PolarHBondContact O-N 3.06Å; V365-W367 PolarHBondContact O-N 2.95Å
366S25.2Very low28.9Very low103 Ų103143.1 Ų143.172%0.7279%0.794SS**  trans-72.7112.8175.2570000111.2V364V364-S366 PolarHBondContact O-N 3.26Å
367W25.6Very low28.6Very low231 Ų231137.4 Ų137.488%0.87579%0.79SS**  trans-84.8121170.9-80.359.8000110.6V365V365-W367 PolarHBondContact O-N 2.95Å
368S24.4Very low28.6Very low113 Ų113139.7 Ų139.779%0.7979%0.793SS**  trans-125.192.9175.961.50000111.7
369C23.5Very low28.7Very low109 Ų109144.9 Ų144.974%0.73682%0.816SS**  trans-79.9142.9153.4-54.10000106.8
370S25.3Very low28.6Very low109 Ų109143 Ų14376%0.76281%0.812SS**  cis-170.8-166.945.7-73.10000108.5
371P37.1Very low28.4Very low118 Ų118144.4 Ų144.477%0.76682%0.817SS**  -130.6136.4-50.431.2-14.6000113.1
372M26Very low28.2Very low201 Ų201146.1 Ų146.199%0.9982%0.818SS**  trans-144.1146.2150.1-61.9-170.8-164.900106.1
373G25.4Very low27.9Very low59 Ų59147.4 Ų147.461%0.60882%0.816SS**  cis142.8163.713.400000107.1
374W26.7Very low27.9Very low245 Ų245147 Ų14793%0.92882%0.817SS**  trans68.3160-173.7-64.659.6000115.1
375L27.8Very low27.9Very low145 Ų145147.2 Ų147.276%0.75981%0.814SS**  cis-163.7154.2-48.6-119.6160.2000107.6
376S26.8Very low27.8Very low103 Ų103150.6 Ų150.672%0.7283%0.829SS**  trans-52.4136.6175.4165.10000113.9
377S28.8Very low28Very low115 Ų115154.2 Ų154.280%0.80484%0.837SS**  -168.8163109.6-1160000116.3
378K31.9Very low28.2Very low193 Ų193147.8 Ų147.884%0.83983%0.834SS**  trans-74.7149.2169.6-57.2166176174.10110.7
379M34.9Very low28.6Very low264 Ų264151 Ų151100%1.384%0.838SS**  -152.50104.9-107.1179.1177.200110.6

Retrieved 379 of 379 residues in 286.7 ms (Link to these results)