G4VEY4_SCHMA Loading...

Enoyl-[acyl-carrier-protein] reductase, mitochondrial

AlphaFold DB , UniProt , Accession G4VEY4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 356 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M30Very low36.9Very low240 Ų240148.1 Ų148.1100%1.18277%0.77SS**  088.30-163.3-171.2-83.900108
2L30.1Very low38Very low178 Ų178149.8 Ų149.893%0.93277%0.767SS**  trans-146.680.1169.6-94.6160.3000105.4S4L2-S4 PolarHBondContact O-N 2.99Å
3R32.5Very low38.9Very low235 Ų235143.9 Ų143.989%0.88773%0.729SS**  trans-69.2117.6171-79.1-176174.8-159.3-1106.6S5R3-S5 PolarHBondContact O-N 3.38Å
4S34.7Very low39.7Very low103 Ų103141.4 Ų141.472%0.7272%0.719SS**  trans-67.878.1170.658.50000109.6L2 F6L2-S4 PolarHBondContact O-N 2.99Å; S4-F6 PolarHBondContact O-N 3.14Å
5S33.2Very low40.4Very low96 Ų96140.7 Ų140.767%0.67172%0.716SS**  trans-73.878.315945.80000108R3 L7R3-S5 PolarHBondContact O-N 3.38Å; S5-L7 PolarHBondContact O-N 2.88Å
6F36.9Very low41.1Very low201 Ų201137.8 Ų137.888%0.88270%0.702SS**  trans-64.399155.5-89.1-83.9000106.6S4 C8S4-F6 PolarHBondContact O-N 3.14Å; F6-C8 PolarHBondContact O-N 3.23Å
7L36Very low41.8Very low126 Ų126131.2 Ų131.266%0.6667%0.668SS**  trans-46.2128.9-171.7-70.7122.3000112.7S5 N9S5-L7 PolarHBondContact O-N 2.88Å; L7-N9 HydrophobicContact CB-CB 4.14Å; L7-N9 PolarHBondContact O-N 3.08Å
8C39.6Very low42.6Very low122 Ų122135.8 Ų135.882%0.82468%0.676SS**  trans-57.376.2150.3-172.90000108.8F6F6-C8 PolarHBondContact O-N 3.23Å
9N39.8Very low44Very low83 Ų83135.7 Ų135.744%0.44468%0.677SS.*  trans-99.886.5-177.6-115.7-21.8000108.8L7 K11 K12 W13L7-N9 HydrophobicContact CB-CB 4.14Å; L7-N9 PolarHBondContact O-N 3.08Å; N9-K11 PolarHBondContact O-N 3.1Å; N9-K12 PolarHBondContact O-N 3.39Å; N9-K12 VanDerWaalsContact O-N 3.14Å; N9-W13 PolarHBondContact O-N 3Å
10S49.2Very low45.9Very low75 Ų75130.9 Ų130.952%0.52466%0.655SS.*Hα-helixtrans-50.2-28.8-179.760.20000114.1W13 N14S10-W13 PolarHBondContact O-N 3.28Å; S10-N14 WeakPolarHBondContact O-CB 3.39Å; S10-N14 PolarHBondContact O-N 3.24Å; S10-N14 PolarHBondContact O-ND2 3.01Å
11K44.1Very low47.9Very low170 Ų170128.8 Ų128.874%0.73964%0.643SS**Hα-helixtrans-69-41.1178.8-74.3-172.9177.6-178.50114.3N9 W13N9-K11 PolarHBondContact O-N 3.1Å; K11-W13 VanDerWaalsContact C-N 3.28Å
12K49.4Very low51Low169 Ų169117.6 Ų117.674%0.73559%0.589SS**Hα-helixtrans-69.7-32.4175.2-76.4-170.2177.1-174.90110.8N9 L16N9-K12 PolarHBondContact O-N 3.39Å; N9-K12 VanDerWaalsContact O-N 3.14Å; K12-L16 PolarHBondContact O-N 3.27Å
13W49.7Very low54.1Low73 Ų73111.5 Ų111.528%0.27756%0.555SS.*Hα-helixtrans-71.3-41.2178.1-165.5-100.5000113.1N9 S10 K11 L15 L16 H17 F47 L53 A93N9-W13 PolarHBondContact O-N 3Å; S10-W13 PolarHBondContact O-N 3.28Å; K11-W13 VanDerWaalsContact C-N 3.28Å; W13-L15 PolarHBondContact O-N 3.24Å; W13-L16 HydrophobicContact CZ3-CD2 4.22Å; W13-L16 PolarHBondContact O-N 2.88Å; W13-H17 PolarHBondContact O-N 2.98Å; W13-F47 AromaticContact CE2-CE1 3.44Å; W13-F47 VanDerWaalsContact CE2-CE1 3.44Å; W13-F47 HydrophobicContact CH2-CE1 4.37Å; W13-F47 HydrophobicContact CZ2-CD1 4.19Å; W13-F47 AromaticContact CZ2-CE1 3.39Å; W13-F47 HydrophobicContact CZ2-CE1 3.39Å; W13-F47 HydrophobicContact CZ2-CZ 4.3Å; W13-F47 AromaticContact NE1-CE1 3.3Å; W13-F47 VanDerWaalsContact NE1-CE1 3.3Å; W13-F47 AromaticContact NE1-CZ 3.9Å; W13-L53 HydrophobicContact CH2-CD2 3.9Å; W13-L53 HydrophobicContact CZ2-CD2 3.69Å; W13-A93 HydrophobicContact CH2-CB 3.4Å; W13-A93 HydrophobicContact CZ2-CB 3.7Å; W13-A93 HydrophobicContact CZ3-CB 3.88Å
14N50.4Low57.2Low109 Ų109100.5 Ų100.558%0.58352%0.515SS*.Hα-helixtrans-60.3-27.7177.1-76.6-14.9000113.6S10S10-N14 WeakPolarHBondContact O-CB 3.39Å; S10-N14 PolarHBondContact O-N 3.24Å; S10-N14 PolarHBondContact O-ND2 3.01Å
15L50.5Low60.2Low131 Ų13195.6 Ų95.669%0.68648%0.48SS*.Hα-helixtrans-79.7-41.7175.5-109.594.9000112.8W13 H17 R18W13-L15 PolarHBondContact O-N 3.24Å; L15-H17 PolarHBondContact O-N 3.45Å; L15-R18 PolarHBondContact O-N 3.05Å
16L51.3Low63.3Low93 Ų9392.4 Ų92.449%0.48746%0.457SS..Hα-helixtrans-58-36.6-178.3-13491.9000111.3K12 W13 R18 L19 V20K12-L16 PolarHBondContact O-N 3.27Å; W13-L16 HydrophobicContact CZ3-CD2 4.22Å; W13-L16 PolarHBondContact O-N 2.88Å; L16-R18 PolarHBondContact O-N 3.13Å; L16-L19 PolarHBondContact O-N 3.33Å; L16-L19 VanDerWaalsContact O-N 3.15Å; L16-V20 HydrophobicContact CD2-CG2 4.45Å; L16-V20 WeakPolarHBondContact O-CG2 3.39Å; L16-V20 PolarHBondContact O-N 3.41Å
17H52.4Low66.2Low26 Ų2683 Ų8312%0.1242%0.416CS..THydrogen-bonded Turntrans-66.2-33-171.1-162.5-90000114.6W13 L15 L19 V44 H45 P46W13-H17 PolarHBondContact O-N 2.98Å; L15-H17 PolarHBondContact O-N 3.45Å; H17-L19 PolarHBondContact O-N 3.12Å; H17-V44 PolarHBondContact CE1-O 3.24Å; H17-V44 VanDerWaalsContact NE2-C 3.28Å; H17-V44 PolarHBondContact NE2-O 2.71Å; H17-H45 WeakPolarHBondContact CE1-CA 3.27Å; H17-H45 WeakPolarHBondContact NE2-CA 3.04Å; H17-H45 PolarHBondContact NE2-N 2.95Å; H17-H45 PolarHBondContact NE2-O 2.93Å; H17-P46 WeakPolarHBondContact CE1-CD 3.33Å; H17-P46 VanDerWaalsContact CE1-CG 3.46Å; H17-P46 WeakPolarHBondContact CE1-CG 3.14Å; H17-P46 WeakPolarHBondContact NE2-CA 3.44Å
18R57.7Low69.1Low214 Ų21482 Ų8281%0.80842%0.415SS*.THydrogen-bonded Turntrans-74.5-13.2176.8-68.7-173.7178.1-171.5-1.3113.9L15 L16L15-R18 PolarHBondContact O-N 3.05Å; L16-R18 PolarHBondContact O-N 3.13Å
19L67.5Low71.9Confident134 Ų13482 Ų8270%0.70240%0.403SS*.THydrogen-bonded Turntrans-108.3-27.4-173.2-61.6173.9000112.6L16 H17 H21L16-L19 PolarHBondContact O-N 3.33Å; L16-L19 VanDerWaalsContact O-N 3.15Å; H17-L19 PolarHBondContact O-N 3.12Å; L19-H21 PolarHBondContact O-N 2.81Å; L19-H21 PolarHBondContact O-ND1 2.81Å
20V82Confident74.7Confident39 Ų3981.4 Ų81.424%0.23640%0.397CS..PPolyproline II helixtrans-82.6118.8-178.6-177.60000110.4L16 V44 Y120L16-V20 HydrophobicContact CD2-CG2 4.45Å; L16-V20 WeakPolarHBondContact O-CG2 3.39Å; L16-V20 PolarHBondContact O-N 3.41Å; V20-V44 HydrophobicContact CB-CG2 4.42Å; V20-V44 HydrophobicContact CG1-CG2 3.85Å; V20-V44 PolarHBondContact O-N 3.39Å; V20-Y120 HydrophobicContact CG1-CD2 4.15Å; V20-Y120 HydrophobicContact CG1-CE1 4.36Å; V20-Y120 HydrophobicContact CG1-CE2 3.49Å; V20-Y120 VanDerWaalsContact CG1-CE2 3.49Å
21H89.8Confident77Confident87 Ų8778.9 Ų78.940%0.40338%0.383SS..EExtended strand (participates in β ladder)trans-101.8138.3173.4-69.662.9000110.1L19 S41 T42L19-H21 PolarHBondContact O-N 2.81Å; L19-H21 PolarHBondContact O-ND1 2.81Å; H21-S41 WeakPolarHBondContact CB-OG 3.39Å; H21-T42 CarbonylContact C-O 3.6Å; H21-T42 WeakPolarHBondContact CA-O 3.45Å
22S93.5Very high79.5Confident6 Ų674.2 Ų74.24%0.04237%0.366CS..EExtended strand (participates in β ladder)trans-88.1123.8165-166.40000108.9S41 T42 T119 Y120S22-S41 WeakPolarHBondContact O-CA 3.42Å; S22-T42 PolarHBondContact N-O 3.4Å; S22-T42 PolarHBondContact O-N 3.16Å; S22-T119 WeakPolarHBondContact CA-OG1 3.46Å; S22-Y120 PolarHBondContact OG-N 2.87Å
23E96.3Very high81.8Confident50 Ų5066.1 Ų66.123%0.23433%0.331CS..EExtended strand (participates in β ladder)trans-92.7138.5170.8-56.5-174.3147.900108.2F39 S40 Q118 T119 F327 K328E23-F39 HydrophobicContact CB-CE2 3.82Å; E23-F39 HydrophobicContact CB-CZ 3.69Å; E23-F39 HydrophobicContact CG-CE2 4.36Å; E23-F39 HydrophobicContact CG-CZ 3.78Å; E23-S40 CarbonylContact C-O 3.6Å; E23-S40 WeakPolarHBondContact CA-O 3.41Å; E23-Q118 CarbonylContact O-C 3.56Å; E23-Q118 WeakPolarHBondContact O-CA 3.4Å; E23-Q118 WeakPolarHBondContact O-CB 3.44Å; E23-T119 HydrophobicContact CB-CG2 3.93Å; E23-T119 PolarHBondContact N-OG1 3.37Å; E23-T119 PolarHBondContact O-N 2.86Å; E23-F327 HydrophobicContact CB-CE1 3.95Å; E23-K328 IonicContact OE1-NZ 3.31Å; E23-K328 PolarHBondContact OE1-NZ 2.65Å; E23-K328 WeakPolarHBondContact OE2-CE 3.48Å; E23-K328 IonicContact OE2-NZ 2.82Å; E23-K328 PolarHBondContact OE2-NZ 3Å
24A97.3Very high84Confident4 Ų466.2 Ų66.23%0.03334%0.335CS..EExtended strand (participates in β ladder)trans-146.6152.1-173.300000111.5T26 S40 V82 W117 Q118A24-T26 HydrophobicContact CB-CG2 4.13Å; A24-S40 PolarHBondContact N-O 3.22Å; A24-S40 PolarHBondContact O-N 3.25Å; A24-S40 PolarHBondContact O-OG 3.34Å; A24-V82 HydrophobicContact CB-CG1 4.13Å; A24-V82 HydrophobicContact CB-CG2 4.1Å; A24-W117 CarbonylContact C-O 3.56Å; A24-W117 WeakPolarHBondContact CA-O 3.34Å; A24-Q118 HydrophobicContact CB-CB 3.66Å
25I98.1Very high86.3Confident0 Ų067 Ų670%034%0.335CS..EExtended strand (participates in β ladder)trans-98.5115.9166.2-48.5-49.9000108.2L37 R38 F39 A83 W117 F327 W330I25-L37 HydrophobicContact CG2-CB 3.84Å; I25-L37 HydrophobicContact CG2-CD1 4.26Å; I25-L37 HydrophobicContact CG2-CD2 3.81Å; I25-L37 HydrophobicContact CG2-CG 4.19Å; I25-R38 CarbonylContact C-O 3.44Å; I25-R38 WeakPolarHBondContact CA-O 3.18Å; I25-F39 HydrophobicContact CD1-CB 4.26Å; I25-F39 HydrophobicContact CD1-CD2 3.81Å; I25-A83 PolarHBondContact O-N 2.91Å; I25-W117 HydrophobicContact CB-CB 4.2Å; I25-W117 HydrophobicContact CB-CE3 4.22Å; I25-W117 HydrophobicContact CG1-CB 4.3Å; I25-W117 HydrophobicContact CG2-CE3 4.29Å; I25-W117 PolarHBondContact N-O 3.12Å; I25-F327 HydrophobicContact CD1-CE2 4.06Å; I25-F327 HydrophobicContact CD1-CZ 3.81Å; I25-F327 HydrophobicContact CG1-CE2 3.65Å; I25-F327 HydrophobicContact CG1-CZ 3.73Å; I25-W330 HydrophobicContact CD1-CB 4.32Å; I25-W330 VanDerWaalsContact CD1-CD1 3.4Å; I25-W330 HydrophobicContact CD1-CD2 3.74Å; I25-W330 HydrophobicContact CD1-CG 3.58Å; I25-W330 HydrophobicContact CD1-CZ2 4.35Å; I25-W330 HydrophobicContact CG1-CB 4.31Å; I25-W330 HydrophobicContact CG1-CD2 4.08Å; I25-W330 HydrophobicContact CG1-CG 3.97Å; I25-W330 HydrophobicContact CG2-CD2 4.23Å; I25-W330 HydrophobicContact CG2-CE3 4.04Å; I25-W330 HydrophobicContact CG2-CH2 4.23Å; I25-W330 HydrophobicContact CG2-CZ2 4.38Å; I25-W330 HydrophobicContact CG2-CZ3 4.06Å
26T97.8Very high88.5Confident29 Ų2961.2 Ų61.218%0.17831%0.305CS..EExtended strand (participates in β ladder)trans-121.3163.4-171.953.70000112.3A24 L37 R38 S40 A81 V82A24-T26 HydrophobicContact CB-CG2 4.13Å; T26-L37 CarbonylContact O-C 3.42Å; T26-L37 WeakPolarHBondContact O-CA 3.37Å; T26-R38 PolarHBondContact N-O 2.95Å; T26-R38 PolarHBondContact O-N 2.9Å; T26-R38 PolarHBondContact OG1-O 3.05Å; T26-S40 VanDerWaalsContact CG2-OG 3.24Å; T26-S40 WeakPolarHBondContact CG2-OG 3.3Å; T26-S40 PolarHBondContact OG1-OG 3.16Å; T26-A81 CarbonylContact C-O 3.56Å; T26-A81 WeakPolarHBondContact CA-O 3.31Å; T26-A81 WeakPolarHBondContact CB-O 3.42Å; T26-V82 HydrophobicContact CG2-CG2 3.87Å
27Y97.8Very high90.8Very high4 Ų456.8 Ų56.82%0.01628%0.282CS..EExtended strand (participates in β ladder)trans-148.4140.6176.160.8-64.2000110.1E29 L37 I69 P77 L79 P80 A81 A83Y27-E29 WeakPolarHBondContact CD2-O 3.3Å; Y27-L37 HydrophobicContact CD1-CD2 4.16Å; Y27-L37 HydrophobicContact CG-CD2 4.35Å; Y27-I69 HydrophobicContact CD2-CG2 4.35Å; Y27-I69 HydrophobicContact CE1-CG1 4.43Å; Y27-P77 WeakPolarHBondContact OH-CG 3.43Å; Y27-L79 HydrophobicContact CD2-CD2 3.77Å; Y27-L79 HydrophobicContact CE2-CD2 3.47Å; Y27-L79 VanDerWaalsContact CE2-CD2 3.47Å; Y27-P80 WeakPolarHBondContact O-CA 3.28Å; Y27-A81 HydrophobicContact CD1-CB 4.32Å; Y27-A81 VanDerWaalsContact CD1-O 3.25Å; Y27-A81 WeakPolarHBondContact CD1-O 3.4Å; Y27-A81 HydrophobicContact CE1-CB 3.62Å; Y27-A81 PolarHBondContact N-O 3.23Å; Y27-A81 PolarHBondContact O-N 3.21Å; Y27-A83 HydrophobicContact CD1-CB 4.28Å; Y27-A83 HydrophobicContact CE1-CB 4.22Å
28T97.8Very high93Very high104 Ų10461.8 Ų61.864%0.63830%0.299SS*.SBendtrans-104.5-12.9-177.650.20000113L79 P80T28-L79 WeakPolarHBondContact O-CD1 3.33Å; T28-P80 HydrophobicContact CG2-CB 3.99Å
29E97.8Very high94.9Very high122 Ų12255.2 Ų55.257%0.5728%0.277SS*.SBendtrans-146.7158.2179.565.3-172.9170.800110.2Y27 V36Y27-E29 WeakPolarHBondContact CD2-O 3.3Å; E29-V36 HydrophobicContact CG-CB 4.41Å; E29-V36 HydrophobicContact CG-CG1 3.97Å
30H97.9Very high96.2Very high70 Ų7050.4 Ų50.432%0.32425%0.254SS..  trans-80.9143.4172.9-66.2-63.5000110.8T68 I69H30-T68 PolarHBondContact ND1-O 2.98Å; H30-I69 VanDerWaalsContact CA-O 3.27Å; H30-I69 WeakPolarHBondContact CA-O 3.33Å; H30-I69 PolarHBondContact ND1-O 2.93Å
31G96.9Very high96.8Very high23 Ų2351.3 Ų51.324%0.23726%0.262CS..SBendtrans167.9-161.1177.400000113.2P33 I69 Q70G31-P33 VanDerWaalsContact O-CD 3.29Å; G31-P33 WeakPolarHBondContact O-CD 3.45Å; G31-I69 PolarHBondContact N-O 3.21Å; G31-Q70 WeakPolarHBondContact O-CA 3.42Å; G31-Q70 WeakPolarHBondContact O-CG 3.34Å
32D97.1Very high96.7Very high71 Ų7150.5 Ų50.538%0.3826%0.264SS..  trans-58117.4172.8-179.4-2.4000109.9E34 Q35 V36D32-E34 PolarHBondContact O-N 2.99Å; D32-E34 VanDerWaalsContact O-N 3.16Å; D32-E34 PolarHBondContact OD1-N 2.69Å; D32-E34 VanDerWaalsContact OD1-N 3.12Å; D32-Q35 HydrophobicContact CB-CB 4.16Å; D32-Q35 HydrophobicContact CB-CG 3.93Å; D32-Q35 WeakPolarHBondContact O-CA 3.29Å; D32-Q35 PolarHBondContact O-N 3.39Å; D32-V36 WeakPolarHBondContact O-CG2 3.38Å; D32-V36 PolarHBondContact O-N 2.96Å
33P97.5Very high96.4Very high0 Ų053.2 Ų53.20%028%0.281CS..Hα-helixtrans-53.7-35.2-178.6-28.337.1000113.9G31 Q35 L37 I66 I69 Q70 L334G31-P33 VanDerWaalsContact O-CD 3.29Å; G31-P33 WeakPolarHBondContact O-CD 3.45Å; P33-Q35 PolarHBondContact O-N 3.46Å; P33-L37 HydrophobicContact CB-CD1 3.89Å; P33-L37 HydrophobicContact CB-CG 4.46Å; P33-L37 VanDerWaalsContact O-CB 3.27Å; P33-L37 WeakPolarHBondContact O-CB 3.24Å; P33-L37 WeakPolarHBondContact O-CD1 3.3Å; P33-L37 VanDerWaalsContact O-CG 3.26Å; P33-L37 WeakPolarHBondContact O-CG 3.4Å; P33-L37 PolarHBondContact O-N 3.18Å; P33-I66 HydrophobicContact CG-CG2 4.09Å; P33-I69 HydrophobicContact CB-CG2 3.98Å; P33-I69 HydrophobicContact CG-CB 4.19Å; P33-I69 HydrophobicContact CG-CG2 3.87Å; P33-Q70 HydrophobicContact CG-CG 4.06Å; P33-L334 HydrophobicContact CB-CD1 3.89Å; P33-L334 HydrophobicContact CB-CD2 4.01Å; P33-L334 HydrophobicContact CB-CG 4.46Å
34E97Very high95.9Very high75 Ų7551.4 Ų51.435%0.3527%0.273SS..Hα-helixtrans-66.5-25.6178.4-68.4-173.8147.700111.8D32 L334 H335 L338D32-E34 PolarHBondContact O-N 2.99Å; D32-E34 VanDerWaalsContact O-N 3.16Å; D32-E34 PolarHBondContact OD1-N 2.69Å; D32-E34 VanDerWaalsContact OD1-N 3.12Å; E34-L334 HydrophobicContact CG-CD2 3.92Å; E34-L334 HydrophobicContact CG-CG 4.36Å; E34-H335 IonicContact OE1-CG 3.61Å; E34-H335 IonicContact OE1-ND1 3.41Å; E34-H335 PolarHBondContact OE1-ND1 3.46Å; E34-L338 HydrophobicContact CG-CD1 4.03Å
35Q97.8Very high95.2Very high125 Ų12557.8 Ų57.858%0.58430%0.303SS*.Hα-helixtrans-97.1-32.3-178-57-60.2-11.900114.1D32 P33 R38D32-Q35 HydrophobicContact CB-CB 4.16Å; D32-Q35 HydrophobicContact CB-CG 3.93Å; D32-Q35 WeakPolarHBondContact O-CA 3.29Å; D32-Q35 PolarHBondContact O-N 3.39Å; P33-Q35 PolarHBondContact O-N 3.46Å; Q35-R38 VanDerWaalsContact O-CZ 3.23Å; Q35-R38 PolarHBondContact O-NH1 3.45Å; Q35-R38 PolarHBondContact O-NH2 3.29Å
36V98.2Very high94.3Very high10 Ų1062.3 Ų62.36%0.06133%0.332CS..Hα-helixtrans-97.2-23.5-173.7-55.70000114.1E29 D32 I69E29-V36 HydrophobicContact CG-CB 4.41Å; E29-V36 HydrophobicContact CG-CG1 3.97Å; D32-V36 WeakPolarHBondContact O-CG2 3.38Å; D32-V36 PolarHBondContact O-N 2.96Å; V36-I69 HydrophobicContact CG2-CG2 3.57Å
37L98.4Very high93.8Very high0 Ų062.7 Ų62.70%033%0.331CS..  trans-75.5137.7-178.4-68.6168.8000111.9I25 T26 Y27 P33 I69 A83 W117 W330 L334I25-L37 HydrophobicContact CG2-CB 3.84Å; I25-L37 HydrophobicContact CG2-CD1 4.26Å; I25-L37 HydrophobicContact CG2-CD2 3.81Å; I25-L37 HydrophobicContact CG2-CG 4.19Å; T26-L37 CarbonylContact O-C 3.42Å; T26-L37 WeakPolarHBondContact O-CA 3.37Å; Y27-L37 HydrophobicContact CD1-CD2 4.16Å; Y27-L37 HydrophobicContact CG-CD2 4.35Å; P33-L37 HydrophobicContact CB-CD1 3.89Å; P33-L37 HydrophobicContact CB-CG 4.46Å; P33-L37 VanDerWaalsContact O-CB 3.27Å; P33-L37 WeakPolarHBondContact O-CB 3.24Å; P33-L37 WeakPolarHBondContact O-CD1 3.3Å; P33-L37 VanDerWaalsContact O-CG 3.26Å; P33-L37 WeakPolarHBondContact O-CG 3.4Å; P33-L37 PolarHBondContact O-N 3.18Å; L37-I69 HydrophobicContact CD1-CD1 4.08Å; L37-I69 HydrophobicContact CD2-CD1 4.05Å; L37-I69 HydrophobicContact CD2-CG1 4.27Å; L37-I69 HydrophobicContact CD2-CG2 4.22Å; L37-I69 HydrophobicContact CG-CD1 4.49Å; L37-I69 HydrophobicContact CG-CG2 4.28Å; L37-A83 HydrophobicContact CD2-CB 3.82Å; L37-W117 HydrophobicContact CD1-CZ3 3.92Å; L37-W330 HydrophobicContact CB-CH2 3.62Å; L37-W330 HydrophobicContact CB-CZ3 3.63Å; L37-W330 HydrophobicContact CD1-CZ3 3.92Å; L37-W330 HydrophobicContact CG-CZ3 4.46Å; L37-L334 HydrophobicContact CD1-CD1 4.3Å; L37-L334 HydrophobicContact CD1-CD2 3.73Å
38R98.1Very high93.5Very high130 Ų13064.6 Ų64.649%0.49135%0.348SS..EExtended strand (participates in β ladder)trans-130.3144.9178-62.9-66.4177.1-86.2-4.3110I25 T26 Q35I25-R38 CarbonylContact C-O 3.44Å; I25-R38 WeakPolarHBondContact CA-O 3.18Å; T26-R38 PolarHBondContact N-O 2.95Å; T26-R38 PolarHBondContact O-N 2.9Å; T26-R38 PolarHBondContact OG1-O 3.05Å; Q35-R38 VanDerWaalsContact O-CZ 3.23Å; Q35-R38 PolarHBondContact O-NH1 3.45Å; Q35-R38 PolarHBondContact O-NH2 3.29Å
39F97.5Very high93.3Very high76 Ų7663.3 Ų63.333%0.33334%0.337SS..EExtended strand (participates in β ladder)trans-80.6132.6167.1177.8-86.3000108.4E23 I25 F327E23-F39 HydrophobicContact CB-CE2 3.82Å; E23-F39 HydrophobicContact CB-CZ 3.69Å; E23-F39 HydrophobicContact CG-CE2 4.36Å; E23-F39 HydrophobicContact CG-CZ 3.78Å; I25-F39 HydrophobicContact CD1-CB 4.26Å; I25-F39 HydrophobicContact CD1-CD2 3.81Å; F39-F327 HydrophobicContact CE2-CE1 4.16Å
40S95Very high93.2Very high33 Ų3360.4 Ų60.423%0.23133%0.325CS..EExtended strand (participates in β ladder)trans-133.8151.4176.653.30000110.2E23 A24 T26E23-S40 CarbonylContact C-O 3.6Å; E23-S40 WeakPolarHBondContact CA-O 3.41Å; A24-S40 PolarHBondContact N-O 3.22Å; A24-S40 PolarHBondContact O-N 3.25Å; A24-S40 PolarHBondContact O-OG 3.34Å; T26-S40 VanDerWaalsContact CG2-OG 3.24Å; T26-S40 WeakPolarHBondContact CG2-OG 3.3Å; T26-S40 PolarHBondContact OG1-OG 3.16Å
41S94.4Very high93.2Very high58 Ų5859.1 Ų59.141%0.40632%0.319SS..EExtended strand (participates in β ladder)trans-131.1125.4173.6-177.50000108.9H21 S22H21-S41 WeakPolarHBondContact CB-OG 3.39Å; S22-S41 WeakPolarHBondContact O-CA 3.42Å
42T88.9Confident93.1Very high70 Ų7058 Ų5843%0.42931%0.308SS..EExtended strand (participates in β ladder)trans-133.1145.1-177.755.50000110H21 S22 V44H21-T42 CarbonylContact C-O 3.6Å; H21-T42 WeakPolarHBondContact CA-O 3.45Å; S22-T42 PolarHBondContact N-O 3.4Å; S22-T42 PolarHBondContact O-N 3.16Å; T42-V44 PolarHBondContact O-N 2.92Å
43P86.6Confident93Very high63 Ų6355 Ų5541%0.40929%0.292SS..EExtended strand (participates in β ladder)trans-53.2136.3171.5-23.733.5000110.5
44V85.6Confident92.9Very high12 Ų1255 Ų557%0.07329%0.292CS..PPolyproline II helixtrans-57.8145.3166.1176.60000107H17 V20 T42 L53 Y120H17-V44 PolarHBondContact CE1-O 3.24Å; H17-V44 VanDerWaalsContact NE2-C 3.28Å; H17-V44 PolarHBondContact NE2-O 2.71Å; V20-V44 HydrophobicContact CB-CG2 4.42Å; V20-V44 HydrophobicContact CG1-CG2 3.85Å; V20-V44 PolarHBondContact O-N 3.39Å; T42-V44 PolarHBondContact O-N 2.92Å; V44-L53 HydrophobicContact CG1-CD1 3.74Å; V44-L53 HydrophobicContact CG1-CD2 4.44Å; V44-Y120 HydrophobicContact CG2-CD2 3.88Å; V44-Y120 HydrophobicContact CG2-CG 4.04Å
45H82.3Confident92.9Very high139 Ų13954.4 Ų54.464%0.64429%0.288SS*.PPolyproline II helixtrans-98.1150176.7-71.2-65000111.8H17 F47H17-H45 WeakPolarHBondContact CE1-CA 3.27Å; H17-H45 WeakPolarHBondContact NE2-CA 3.04Å; H17-H45 PolarHBondContact NE2-N 2.95Å; H17-H45 PolarHBondContact NE2-O 2.93Å; H45-F47 PolarHBondContact O-N 3.09Å
46P80.7Confident92.8Very high95 Ų9548.4 Ų48.462%0.61726%0.26SS*.PPolyproline II helixtrans-64.7130.6-174.7-2032.2000108.6H17H17-P46 WeakPolarHBondContact CE1-CD 3.33Å; H17-P46 VanDerWaalsContact CE1-CG 3.46Å; H17-P46 WeakPolarHBondContact CE1-CG 3.14Å; H17-P46 WeakPolarHBondContact NE2-CA 3.44Å
47F85.6Confident92.8Very high36 Ų3649.3 Ų49.316%0.15827%0.266CS..PPolyproline II helixtrans-80.8148179.666.4-97000110.8W13 H45 E51 L53 A93 C94 G95 C122W13-F47 AromaticContact CE2-CE1 3.44Å; W13-F47 VanDerWaalsContact CE2-CE1 3.44Å; W13-F47 HydrophobicContact CH2-CE1 4.37Å; W13-F47 HydrophobicContact CZ2-CD1 4.19Å; W13-F47 AromaticContact CZ2-CE1 3.39Å; W13-F47 HydrophobicContact CZ2-CE1 3.39Å; W13-F47 HydrophobicContact CZ2-CZ 4.3Å; W13-F47 AromaticContact NE1-CE1 3.3Å; W13-F47 VanDerWaalsContact NE1-CE1 3.3Å; W13-F47 AromaticContact NE1-CZ 3.9Å; H45-F47 PolarHBondContact O-N 3.09Å; F47-E51 WeakPolarHBondContact CA-OE2 3.25Å; F47-E51 HydrophobicContact CB-CB 3.94Å; F47-E51 HydrophobicContact CD2-CB 4.45Å; F47-L53 HydrophobicContact CD1-CB 3.91Å; F47-L53 HydrophobicContact CE1-CB 4.17Å; F47-A93 HydrophobicContact CE1-CB 3.53Å; F47-A93 HydrophobicContact CZ-CB 3.57Å; F47-C94 VanDerWaalsContact CE2-C 3.46Å; F47-G95 VanDerWaalsContact CE2-N 3.33Å; F47-C122 WeakPolarHBondContact CB-SG 3.4Å
48A91.5Very high92.8Very high45 Ų4549.3 Ų49.337%0.37227%0.266SS..PPolyproline II helixtrans-77.7171.9179.900000112.8D50 E51A48-D50 WeakPolarHBondContact CB-OD1 3.31Å; A48-D50 PolarHBondContact O-N 2.75Å; A48-D50 VanDerWaalsContact O-N 3.15Å; A48-E51 HydrophobicContact CB-CB 4.5Å; A48-E51 HydrophobicContact CB-CG 3.94Å; A48-E51 PolarHBondContact N-OE2 2.91Å; A48-E51 PolarHBondContact O-N 2.82Å; A48-E51 VanDerWaalsContact O-N 3.09Å
49N94.8Very high92.8Very high76 Ų7643.1 Ų43.141%0.40624%0.243SC..THydrogen-bonded Turntrans-65-20.1-175.1-70.3-46000114.1G95 K96 N97N49-G95 CarbonylContact O-C 3.07Å; N49-G95 WeakPolarHBondContact O-CA 3.44Å; N49-K96 HydrophobicContact CB-CD 4.33Å; N49-K96 HydrophobicContact CB-CG 3.88Å; N49-K96 VanDerWaalsContact ND2-CE 3.35Å; N49-K96 WeakPolarHBondContact ND2-CE 3.37Å; N49-K96 PolarHBondContact ND2-NZ 3.13Å; N49-K96 PolarHBondContact O-N 3.22Å; N49-K96 VanDerWaalsContact OD1-CD 3.31Å; N49-K96 WeakPolarHBondContact OD1-CD 3.35Å; N49-K96 WeakPolarHBondContact OD1-CE 3.25Å; N49-K96 WeakPolarHBondContact OD1-CG 3.15Å; N49-N97 WeakPolarHBondContact O-CA 3.44Å; N49-N97 WeakPolarHBondContact O-CB 3.31Å; N49-N97 PolarHBondContact O-N 3.31Å
50D96.1Very high92.9Very high61 Ų6139.5 Ų39.533%0.32623%0.227SC..THydrogen-bonded Turntrans-103.45.8177.761.7-33.4000113.2A48 K124 A125A48-D50 WeakPolarHBondContact CB-OD1 3.31Å; A48-D50 PolarHBondContact O-N 2.75Å; A48-D50 VanDerWaalsContact O-N 3.15Å; D50-K124 VanDerWaalsContact OD2-CE 3.28Å; D50-K124 WeakPolarHBondContact OD2-CE 3.39Å; D50-K124 IonicContact OD2-NZ 3.81Å; D50-A125 PolarHBondContact O-N 2.92Å; D50-A125 VanDerWaalsContact O-N 3.14Å
51E96.2Very high93Very high43 Ų4338.2 Ų38.220%0.20122%0.218CC..EExtended strand (participates in β ladder)trans-106157.6-176.4-65.4-173.4143.500112.8F47 A48 G95 V98 C122 G123 K124F47-E51 WeakPolarHBondContact CA-OE2 3.25Å; F47-E51 HydrophobicContact CB-CB 3.94Å; F47-E51 HydrophobicContact CD2-CB 4.45Å; A48-E51 HydrophobicContact CB-CB 4.5Å; A48-E51 HydrophobicContact CB-CG 3.94Å; A48-E51 PolarHBondContact N-OE2 2.91Å; A48-E51 PolarHBondContact O-N 2.82Å; A48-E51 VanDerWaalsContact O-N 3.09Å; E51-G95 WeakPolarHBondContact O-CA 3.37Å; E51-G95 PolarHBondContact O-N 3.41Å; E51-V98 WeakPolarHBondContact O-CG2 3.44Å; E51-C122 PolarHBondContact OE2-SG 2.93Å; E51-G123 CarbonylContact C-O 3.54Å; E51-G123 VanDerWaalsContact CA-O 3.23Å; E51-G123 WeakPolarHBondContact CA-O 3.26Å; E51-G123 WeakPolarHBondContact CB-O 3.34Å; E51-K124 HydrophobicContact CG-CG 4.37Å
52I95.6Very high93.1Very high0 Ų035.6 Ų35.60%020%0.199CC..EExtended strand (participates in β ladder)trans-115.7148171.260.6172.6000110.2V54 I91 A93 C94 V98 C122 G123 A125 F128I52-V54 HydrophobicContact CD1-CG2 3.78Å; I52-V54 HydrophobicContact CG1-CG2 4.01Å; I52-I91 HydrophobicContact CB-CG2 4.45Å; I52-I91 HydrophobicContact CD1-CD1 3.74Å; I52-I91 HydrophobicContact CD1-CG1 4.09Å; I52-I91 HydrophobicContact CG2-CD1 4.43Å; I52-A93 WeakPolarHBondContact CA-O 3.38Å; I52-C94 HydrophobicContact CG2-CB 4.48Å; I52-V98 HydrophobicContact CG2-CB 4.45Å; I52-V98 HydrophobicContact CG2-CG1 3.75Å; I52-V98 HydrophobicContact CG2-CG2 4.01Å; I52-C122 WeakPolarHBondContact O-CA 3.45Å; I52-G123 PolarHBondContact N-O 2.88Å; I52-G123 PolarHBondContact O-N 3.2Å; I52-A125 HydrophobicContact CG2-CB 4.14Å; I52-F128 HydrophobicContact CD1-CB 4.28Å; I52-F128 HydrophobicContact CD1-CD1 4.45Å; I52-F128 HydrophobicContact CD1-CD2 3.45Å; I52-F128 VanDerWaalsContact CD1-CD2 3.45Å; I52-F128 HydrophobicContact CD1-CE2 3.8Å; I52-F128 HydrophobicContact CD1-CG 3.81Å; I52-F128 HydrophobicContact CD1-CZ 4.44Å; I52-F128 HydrophobicContact CG1-CD2 3.8Å; I52-F128 HydrophobicContact CG1-CE2 3.67Å; I52-F128 HydrophobicContact CG1-CZ 4.38Å
53L95.1Very high93.4Very high7 Ų734.7 Ų34.74%0.03719%0.194CC..EExtended strand (participates in β ladder)trans-103.2123.5167.7-177.565.1000108.9W13 V44 F47 I92 A93 Y120 W121W13-L53 HydrophobicContact CH2-CD2 3.9Å; W13-L53 HydrophobicContact CZ2-CD2 3.69Å; V44-L53 HydrophobicContact CG1-CD1 3.74Å; V44-L53 HydrophobicContact CG1-CD2 4.44Å; F47-L53 HydrophobicContact CD1-CB 3.91Å; F47-L53 HydrophobicContact CE1-CB 4.17Å; L53-I92 HydrophobicContact CB-CG1 4.17Å; L53-I92 HydrophobicContact CD2-CD1 3.62Å; L53-I92 HydrophobicContact CD2-CG1 3.88Å; L53-I92 HydrophobicContact CG-CD1 3.85Å; L53-I92 HydrophobicContact CG-CG1 3.75Å; L53-I92 WeakPolarHBondContact O-CG1 3.29Å; L53-I92 PolarHBondContact O-N 3.2Å; L53-A93 HydrophobicContact CB-CB 4.2Å; L53-A93 PolarHBondContact N-O 2.83Å; L53-A93 PolarHBondContact O-N 2.89Å; L53-Y120 HydrophobicContact CD1-CD1 4.38Å; L53-W121 WeakPolarHBondContact CA-O 3.16Å; L53-W121 WeakPolarHBondContact CD1-O 3.37Å
54V95.6Very high93.8Very high0 Ų032.5 Ų32.50%018%0.181CC..EExtended strand (participates in β ladder)trans-114.6125.6-177.7-175.30000108.8I52 V56 K90 I91 V107 Y120 W121 F128I52-V54 HydrophobicContact CD1-CG2 3.78Å; I52-V54 HydrophobicContact CG1-CG2 4.01Å; V54-V56 PolarHBondContact O-N 3.05Å; V54-K90 CarbonylContact C-O 3.55Å; V54-K90 WeakPolarHBondContact CA-O 3.45Å; V54-I91 HydrophobicContact CG2-CG1 4.43Å; V54-V107 HydrophobicContact CB-CG2 4.4Å; V54-V107 HydrophobicContact CG1-CG2 3.74Å; V54-V107 HydrophobicContact CG2-CG2 3.69Å; V54-Y120 CarbonylContact O-C 3.5Å; V54-Y120 VanDerWaalsContact O-CA 3.26Å; V54-Y120 WeakPolarHBondContact O-CA 3.2Å; V54-W121 HydrophobicContact CB-CB 4.18Å; V54-W121 HydrophobicContact CB-CE3 4.15Å; V54-W121 HydrophobicContact CG1-CE3 3.85Å; V54-W121 HydrophobicContact CG1-CZ3 4.31Å; V54-W121 PolarHBondContact N-O 3.14Å; V54-W121 PolarHBondContact O-N 3.34Å; V54-F128 HydrophobicContact CG2-CE1 4.12Å; V54-F128 HydrophobicContact CG2-CZ 4.25Å
55K96.2Very high94.3Very high63 Ų6332 Ų3227%0.27418%0.178SC..EExtended strand (participates in β ladder)trans-79112.6162.1-175.8179.1-180-177.90107.3G89 K90 I92 Y120 E356K55-G89 CarbonylContact O-C 3.59Å; K55-G89 WeakPolarHBondContact O-CA 3.26Å; K55-K90 PolarHBondContact N-O 2.65Å; K55-K90 PolarHBondContact O-N 2.75Å; K55-I92 HydrophobicContact CB-CD1 4.46Å; K55-I92 HydrophobicContact CB-CG2 3.82Å; K55-Y120 HydrophobicContact CB-CD1 4.21Å; K55-Y120 HydrophobicContact CB-CE1 3.89Å; K55-Y120 HydrophobicContact CG-CD1 4.5Å; K55-Y120 HydrophobicContact CG-CE1 3.96Å; K55-E356 WeakPolarHBondContact CE-O 3.35Å; K55-E356 VanDerWaalsContact NZ-C 3.29Å; K55-E356 PolarHBondContact NZ-O 2.83Å; K55-E356 VanDerWaalsContact NZ-O 3.13Å; K55-E356 PolarHBondContact NZ-OXT 3.33Å
56V97.2Very high95Very high0 Ų025.9 Ų25.90%015%0.15CC..EExtended strand (participates in β ladder)trans-66.7138.6175.2-172.60000107.9V54 Q118 T119 W121 M355V54-V56 PolarHBondContact O-N 3.05Å; V56-Q118 WeakPolarHBondContact CB-O 3.43Å; V56-Q118 WeakPolarHBondContact CG1-O 3.29Å; V56-Q118 VanDerWaalsContact CG2-O 3.22Å; V56-Q118 WeakPolarHBondContact CG2-O 3.4Å; V56-T119 PolarHBondContact N-O 2.79Å; V56-W121 HydrophobicContact CB-CZ2 4.29Å; V56-W121 HydrophobicContact CG1-CH2 3.97Å; V56-W121 HydrophobicContact CG1-CZ2 3.67Å; V56-W121 HydrophobicContact CG2-CD2 3.45Å; V56-W121 VanDerWaalsContact CG2-CD2 3.45Å; V56-W121 HydrophobicContact CG2-CE3 3.98Å; V56-W121 HydrophobicContact CG2-CG 3.79Å; V56-W121 HydrophobicContact CG2-CH2 4.12Å; V56-W121 HydrophobicContact CG2-CZ2 3.6Å; V56-W121 HydrophobicContact CG2-CZ3 4.3Å; V56-M355 HydrophobicContact CB-CG 4.05Å; V56-M355 HydrophobicContact CG1-CE 4.33Å; V56-M355 HydrophobicContact CG1-CG 3.82Å; V56-M355 WeakPolarHBondContact O-CB 3.46Å
57C98.1Very high95.7Very high28 Ų2823.2 Ų23.219%0.18913%0.13CC..EExtended strand (participates in β ladder)trans-111-40.5179.4-60.80000111.1A88 M137 M355C57-A88 PolarHBondContact N-O 3.37Å; C57-M137 HydrophobicContact CB-CB 4.16Å; C57-M137 HydrophobicContact CB-CG 3.87Å; C57-M137 HydrophobicContact CB-SD 4.43Å; C57-M355 PolarHBondContact O-N 3.05Å
58A98.5Very high96.2Very high0 Ų022.1 Ų22.10%013%0.126CC..EExtended strand (participates in β ladder)trans-149.2145.7-178.400000112.3G87 A88 M137 A141 V352 L353 I354A58-G87 CarbonylContact O-C 3.47Å; A58-G87 WeakPolarHBondContact O-CA 3.3Å; A58-A88 PolarHBondContact N-O 2.8Å; A58-A88 VanDerWaalsContact N-O 3.16Å; A58-A88 PolarHBondContact O-N 3.22Å; A58-M137 HydrophobicContact CB-CB 4.42Å; A58-A141 HydrophobicContact CB-CB 3.66Å; A58-A141 WeakPolarHBondContact O-CB 3.4Å; A58-V352 HydrophobicContact CB-CG1 3.96Å; A58-L353 CarbonylContact C-O 3.52Å; A58-L353 WeakPolarHBondContact CA-O 3.31Å; A58-I354 HydrophobicContact CB-CD1 3.92Å
59A98.4Very high96.5Very high0 Ų020 Ų200%011%0.109CC..EExtended strand (participates in β ladder)trans-145.3124173.100000110.9T116 L353 M355A59-T116 WeakPolarHBondContact CB-O 3.48Å; A59-L353 PolarHBondContact N-O 2.87Å; A59-L353 WeakPolarHBondContact O-CB 3.44Å; A59-L353 PolarHBondContact O-N 3.47Å; A59-M355 HydrophobicContact CB-CE 3.98Å
60P98.1Very high96.6Very high0 Ų018.7 Ų18.70%010%0.1CC..EExtended strand (participates in β ladder)trans-75.3164.417632.9-37.5000112.6E86 W117 A141 T142 K350 S351 V352P60-E86 WeakPolarHBondContact CD-O 3.35Å; P60-E86 HydrophobicContact CG-CG 3.42Å; P60-E86 VanDerWaalsContact CG-CG 3.42Å; P60-E86 WeakPolarHBondContact CG-OE1 3.33Å; P60-W117 PolarHBondContact O-NE1 2.99Å; P60-W117 VanDerWaalsContact O-NE1 3.11Å; P60-A141 WeakPolarHBondContact CD-O 3.46Å; P60-A141 WeakPolarHBondContact CG-O 3.44Å; P60-T142 HydrophobicContact CB-CG2 3.85Å; P60-T142 HydrophobicContact CG-CG2 3.93Å; P60-K350 HydrophobicContact CB-CD 3.92Å; P60-K350 HydrophobicContact CB-CG 4.33Å; P60-S351 WeakPolarHBondContact CA-O 3.35Å; P60-V352 HydrophobicContact CB-CG2 4.42Å
61I97.8Very high96.6Very high6 Ų616.7 Ų16.73%0.0319%0.094CC..  trans-103.5117.4163.5-53.6-177.6000108.2I66 W117 A333 S337 K350 S351 L353I61-I66 HydrophobicContact CG2-CD1 3.82Å; I61-I66 HydrophobicContact CG2-CG1 4.23Å; I61-W117 HydrophobicContact CB-CZ2 4.03Å; I61-W117 HydrophobicContact CD1-CH2 4.38Å; I61-W117 HydrophobicContact CD1-CZ2 4.3Å; I61-W117 HydrophobicContact CG1-CH2 4.2Å; I61-W117 HydrophobicContact CG1-CZ2 3.65Å; I61-W117 HydrophobicContact CG2-CH2 3.99Å; I61-W117 HydrophobicContact CG2-CZ2 3.77Å; I61-A333 HydrophobicContact CD1-CB 3.73Å; I61-S337 WeakPolarHBondContact CB-OG 3.28Å; I61-K350 PolarHBondContact O-NZ 3.43Å; I61-S351 PolarHBondContact N-O 3.06Å; I61-L353 HydrophobicContact CD1-CD1 4.41Å; I61-L353 HydrophobicContact CD1-CG 4.43Å; I61-L353 HydrophobicContact CG1-CD1 4.34Å; I61-L353 HydrophobicContact CG1-CG 4.41Å
62N96.4Very high96.4Very high3 Ų319.9 Ų19.92%0.01611%0.112CC..  trans-104.4154.5173.8-64.5-71.5000110.9S64 D65 I66 E86 N146 K350N62-S64 WeakPolarHBondContact CB-OG 3.42Å; N62-S64 PolarHBondContact O-N 3.35Å; N62-S64 VanDerWaalsContact O-N 3.13Å; N62-D65 WeakPolarHBondContact CA-OD2 3.3Å; N62-D65 WeakPolarHBondContact CB-OD2 3.45Å; N62-D65 PolarHBondContact N-OD2 2.93Å; N62-D65 PolarHBondContact ND2-OD2 3.2Å; N62-D65 WeakPolarHBondContact O-CB 3.49Å; N62-D65 PolarHBondContact O-N 3.28Å; N62-I66 PolarHBondContact O-N 2.99Å; N62-E86 PolarHBondContact ND2-OE1 3.47Å; N62-E86 PolarHBondContact OD1-OE1 3.48Å; N62-N146 PolarHBondContact OD1-ND2 3.01Å; N62-K350 PolarHBondContact OD1-NZ 3.19Å
63P94.5Very high96.3Very high51 Ų5122.1 Ų22.133%0.33112%0.121SC..Hα-helixtrans-53.9-31.3169.2-26.935.5000113.5D65 I66 N67 M265P63-D65 VanDerWaalsContact C-N 3.35Å; P63-I66 PolarHBondContact O-N 2.69Å; P63-N67 WeakPolarHBondContact O-CB 3.47Å; P63-N67 PolarHBondContact O-N 3.47Å; P63-N67 PolarHBondContact O-ND2 2.91Å; P63-M265 HydrophobicContact CB-CE 4.32Å; P63-M265 HydrophobicContact CB-SD 4.25Å; P63-M265 HydrophobicContact CG-CE 4.28Å; P63-M265 HydrophobicContact CG-SD 4.4Å
64S94.8Very high96.2Very high17 Ų1726.1 Ų26.112%0.11915%0.147CC..Hα-helixtrans-66.6-32.8174.854.40000113.3N62 T68N62-S64 WeakPolarHBondContact CB-OG 3.42Å; N62-S64 PolarHBondContact O-N 3.35Å; N62-S64 VanDerWaalsContact O-N 3.13Å; S64-T68 WeakPolarHBondContact O-CB 3.5Å; S64-T68 PolarHBondContact O-N 3.24Å; S64-T68 PolarHBondContact O-OG1 3.24Å
65D97Very high96Very high3 Ų327.4 Ų27.42%0.01615%0.154CC..Hα-helixtrans-66.2-48.4175.8-58.2-53.8000109.4N62 P63 N67 T68 I69 N85 W117N62-D65 WeakPolarHBondContact CA-OD2 3.3Å; N62-D65 WeakPolarHBondContact CB-OD2 3.45Å; N62-D65 PolarHBondContact N-OD2 2.93Å; N62-D65 PolarHBondContact ND2-OD2 3.2Å; N62-D65 WeakPolarHBondContact O-CB 3.49Å; N62-D65 PolarHBondContact O-N 3.28Å; P63-D65 VanDerWaalsContact C-N 3.35Å; D65-N67 PolarHBondContact O-N 3.24Å; D65-T68 WeakPolarHBondContact O-CB 3.45Å; D65-T68 PolarHBondContact O-N 3.29Å; D65-T68 VanDerWaalsContact O-N 3.1Å; D65-I69 WeakPolarHBondContact O-CD1 3.29Å; D65-I69 WeakPolarHBondContact O-CG1 3.48Å; D65-I69 PolarHBondContact O-N 3.42Å; D65-N85 WeakPolarHBondContact OD1-CB 3.38Å; D65-N85 PolarHBondContact OD1-N 3.5Å; D65-W117 HydrophobicContact CB-CH2 4.16Å; D65-W117 HydrophobicContact CB-CZ2 3.67Å
66I96.7Very high95.8Very high10 Ų1031.3 Ų31.35%0.05117%0.171CC..Hα-helixtrans-55-49.9174.8-57.2-52.2000111P33 I61 N62 P63 T68 I69 Q70 W117 L334 L338P33-I66 HydrophobicContact CG-CG2 4.09Å; I61-I66 HydrophobicContact CG2-CD1 3.82Å; I61-I66 HydrophobicContact CG2-CG1 4.23Å; N62-I66 PolarHBondContact O-N 2.99Å; P63-I66 PolarHBondContact O-N 2.69Å; I66-T68 VanDerWaalsContact C-N 3.29Å; I66-T68 PolarHBondContact O-N 3.13Å; I66-I69 PolarHBondContact O-N 2.91Å; I66-Q70 WeakPolarHBondContact O-CB 3.36Å; I66-Q70 VanDerWaalsContact O-CG 3.32Å; I66-Q70 WeakPolarHBondContact O-CG 3.43Å; I66-Q70 PolarHBondContact O-N 3.18Å; I66-W117 HydrophobicContact CD1-CH2 4.49Å; I66-L334 HydrophobicContact CD1-CD1 3.38Å; I66-L338 HydrophobicContact CD1-CD2 4.43Å; I66-L338 HydrophobicContact CG2-CD2 4.05Å
67N95.4Very high95.6Very high39 Ų3932.6 Ų32.621%0.20918%0.18CC..Hα-helixtrans-65.4-31.2179.5-68.2-26.3000112.6P63 D65 G71 N72 Y73 R267P63-N67 WeakPolarHBondContact O-CB 3.47Å; P63-N67 PolarHBondContact O-N 3.47Å; P63-N67 PolarHBondContact O-ND2 2.91Å; D65-N67 PolarHBondContact O-N 3.24Å; N67-G71 PolarHBondContact O-N 3.26Å; N67-N72 PolarHBondContact O-N 3.03Å; N67-Y73 HydrophobicContact CB-CD2 4.29Å; N67-Y73 HydrophobicContact CB-CG 4.43Å; N67-Y73 PolarHBondContact O-N 3.26Å; N67-Y73 VanDerWaalsContact O-N 3.13Å; N67-R267 PolarHBondContact OD1-NH2 3.33Å
68T97Very high95.5Very high12 Ų1240.5 Ų40.57%0.07421%0.211CC..Hα-helixtrans-68.1-44.6176.1-60.50000110.8H30 S64 D65 I66 Q70 G71 Y73 P77H30-T68 PolarHBondContact ND1-O 2.98Å; S64-T68 WeakPolarHBondContact O-CB 3.5Å; S64-T68 PolarHBondContact O-N 3.24Å; S64-T68 PolarHBondContact O-OG1 3.24Å; D65-T68 WeakPolarHBondContact O-CB 3.45Å; D65-T68 PolarHBondContact O-N 3.29Å; D65-T68 VanDerWaalsContact O-N 3.1Å; I66-T68 VanDerWaalsContact C-N 3.29Å; I66-T68 PolarHBondContact O-N 3.13Å; T68-Q70 VanDerWaalsContact C-N 3.34Å; T68-G71 PolarHBondContact O-N 2.77Å; T68-G71 VanDerWaalsContact O-N 3.11Å; T68-Y73 VanDerWaalsContact OG1-CD1 3.22Å; T68-Y73 WeakPolarHBondContact OG1-CD1 3.32Å; T68-P77 HydrophobicContact CG2-CG 4.04Å
69I97.7Very high95.4Very high1 Ų143 Ų431%0.00522%0.224CC..Hα-helixtrans-62.9-43.1176.2-63.4153.9000110.2Y27 H30 G31 P33 V36 L37 D65 I66 G71 A83 W117Y27-I69 HydrophobicContact CD2-CG2 4.35Å; Y27-I69 HydrophobicContact CE1-CG1 4.43Å; H30-I69 VanDerWaalsContact CA-O 3.27Å; H30-I69 WeakPolarHBondContact CA-O 3.33Å; H30-I69 PolarHBondContact ND1-O 2.93Å; G31-I69 PolarHBondContact N-O 3.21Å; P33-I69 HydrophobicContact CB-CG2 3.98Å; P33-I69 HydrophobicContact CG-CB 4.19Å; P33-I69 HydrophobicContact CG-CG2 3.87Å; V36-I69 HydrophobicContact CG2-CG2 3.57Å; L37-I69 HydrophobicContact CD1-CD1 4.08Å; L37-I69 HydrophobicContact CD2-CD1 4.05Å; L37-I69 HydrophobicContact CD2-CG1 4.27Å; L37-I69 HydrophobicContact CD2-CG2 4.22Å; L37-I69 HydrophobicContact CG-CD1 4.49Å; L37-I69 HydrophobicContact CG-CG2 4.28Å; D65-I69 WeakPolarHBondContact O-CD1 3.29Å; D65-I69 WeakPolarHBondContact O-CG1 3.48Å; D65-I69 PolarHBondContact O-N 3.42Å; I66-I69 PolarHBondContact O-N 2.91Å; I69-G71 PolarHBondContact O-N 2.83Å; I69-A83 HydrophobicContact CD1-CB 4.08Å; I69-A83 HydrophobicContact CG1-CB 4.32Å; I69-W117 HydrophobicContact CD1-CH2 3.8Å; I69-W117 HydrophobicContact CD1-CZ3 3.83Å
70Q96.6Very high95.3Very high49 Ų4947.8 Ų47.823%0.22926%0.255CS..THydrogen-bonded Turntrans-66.1-13.4175.3-71.1178-17.600114.5G31 P33 I66 T68 N72G31-Q70 WeakPolarHBondContact O-CA 3.42Å; G31-Q70 WeakPolarHBondContact O-CG 3.34Å; P33-Q70 HydrophobicContact CG-CG 4.06Å; I66-Q70 WeakPolarHBondContact O-CB 3.36Å; I66-Q70 VanDerWaalsContact O-CG 3.32Å; I66-Q70 WeakPolarHBondContact O-CG 3.43Å; I66-Q70 PolarHBondContact O-N 3.18Å; T68-Q70 VanDerWaalsContact C-N 3.34Å; Q70-N72 VanDerWaalsContact C-N 3.28Å; Q70-N72 PolarHBondContact O-N 3.45Å
71G95.6Very high95.2Very high18 Ų1848.4 Ų48.419%0.18626%0.26CS..THydrogen-bonded Turntrans78.48.3-176.100000114.8N67 T68 I69N67-G71 PolarHBondContact O-N 3.26Å; T68-G71 PolarHBondContact O-N 2.77Å; T68-G71 VanDerWaalsContact O-N 3.11Å; I69-G71 PolarHBondContact O-N 2.83Å
72N93.2Very high95.1Very high111 Ų11149.8 Ų49.859%0.59427%0.269SS*.  trans-91.1-6.1-178.8-68.5-32.9000113.5N67 Q70N67-N72 PolarHBondContact O-N 3.03Å; Q70-N72 VanDerWaalsContact C-N 3.28Å; Q70-N72 PolarHBondContact O-N 3.45Å
73Y92.9Very high95.2Very high46 Ų4649.7 Ų49.718%0.1827%0.268CS..SBendtrans-95.7149.4178.9-156.4-125.6000111.4N67 T68 I75 W288N67-Y73 HydrophobicContact CB-CD2 4.29Å; N67-Y73 HydrophobicContact CB-CG 4.43Å; N67-Y73 PolarHBondContact O-N 3.26Å; N67-Y73 VanDerWaalsContact O-N 3.13Å; T68-Y73 VanDerWaalsContact OG1-CD1 3.22Å; T68-Y73 WeakPolarHBondContact OG1-CD1 3.32Å; Y73-I75 HydrophobicContact CD1-CB 4.09Å; Y73-I75 HydrophobicContact CD1-CD1 4.33Å; Y73-I75 HydrophobicContact CD1-CG1 4.46Å; Y73-I75 HydrophobicContact CE1-CB 4.5Å; Y73-I75 HydrophobicContact CE1-CD1 3.89Å; Y73-I75 HydrophobicContact CE1-CG1 4.44Å; Y73-I75 PolarHBondContact O-N 3.26Å; Y73-W288 HydrophobicContact CE1-CZ2 4.5Å; Y73-W288 AromaticContact CZ-NE1 3.64Å; Y73-W288 PolarHBondContact OH-NE1 3.4Å
74P92.9Very high95.3Very high91 Ų9147.7 Ų47.759%0.59126%0.256SS*.SBendtrans-61.8-26.7-179.7-26.736.1000114.6W288P74-W288 HydrophobicContact CB-CH2 3.86Å; P74-W288 HydrophobicContact CB-CZ2 4.28Å; P74-W288 HydrophobicContact CB-CZ3 4.25Å
75I91.5Very high95.4Very high27 Ų2747.5 Ų47.514%0.13825%0.254CS..  trans-83.6122.8174.9-65.1159.8000108.7Y73 L112 A113 W288Y73-I75 HydrophobicContact CD1-CB 4.09Å; Y73-I75 HydrophobicContact CD1-CD1 4.33Å; Y73-I75 HydrophobicContact CD1-CG1 4.46Å; Y73-I75 HydrophobicContact CE1-CB 4.5Å; Y73-I75 HydrophobicContact CE1-CD1 3.89Å; Y73-I75 HydrophobicContact CE1-CG1 4.44Å; Y73-I75 PolarHBondContact O-N 3.26Å; I75-L112 HydrophobicContact CD1-CB 4Å; I75-L112 HydrophobicContact CD1-CD1 3.96Å; I75-L112 HydrophobicContact CD1-CD2 4.49Å; I75-L112 HydrophobicContact CD1-CG 4.38Å; I75-L112 HydrophobicContact CG1-CD1 4.49Å; I75-A113 HydrophobicContact CG2-CB 3.72Å; I75-W288 HydrophobicContact CD1-CH2 4.42Å; I75-W288 HydrophobicContact CD1-CZ2 3.68Å; I75-W288 HydrophobicContact CG1-CH2 4.09Å; I75-W288 HydrophobicContact CG1-CZ2 3.77Å
76K92Very high95.4Very high145 Ų14547.5 Ų47.563%0.6325%0.254SS*.  trans-121.897.8175.7-64.2-175.4-179.4-176.30109.9
77P93Very high95.5Very high28 Ų2847 Ų4718%0.18225%0.252CS..PPolyproline II helixtrans-59.3148.4173-24.737.1000111.2Y27 T68 L79 A81 A113Y27-P77 WeakPolarHBondContact OH-CG 3.43Å; T68-P77 HydrophobicContact CG2-CG 4.04Å; P77-L79 PolarHBondContact O-N 3.15Å; P77-A81 HydrophobicContact CB-CB 3.77Å; P77-A113 HydrophobicContact CG-CB 3.62Å
78K94.9Very high95.6Very high194 Ų19445.2 Ų45.284%0.84324%0.242SC*.PPolyproline II helixtrans-65.8127.1171.2-178.8179.1178-177.40108.8P80K78-P80 CarbonylContact O-C 3.43Å
79L96.5Very high95.6Very high52 Ų5244.6 Ų44.627%0.27224%0.239SC..SBendtrans-85.7147.8179.4-55.3178.5000111.2Y27 T28 P77 A81Y27-L79 HydrophobicContact CD2-CD2 3.77Å; Y27-L79 HydrophobicContact CE2-CD2 3.47Å; Y27-L79 VanDerWaalsContact CE2-CD2 3.47Å; T28-L79 WeakPolarHBondContact O-CD1 3.33Å; P77-L79 PolarHBondContact O-N 3.15Å; L79-A81 HydrophobicContact CD2-CB 3.95Å
80P96Very high95.6Very high101 Ų10148.2 Ų48.266%0.65625%0.254SS*.SBendcis-66.2143.9-6.728.9-34.6000112.2Y27 T28 K78Y27-P80 WeakPolarHBondContact O-CA 3.28Å; T28-P80 HydrophobicContact CG2-CB 3.99Å; K78-P80 CarbonylContact O-C 3.43Å
81A96.2Very high95.7Very high12 Ų1245.9 Ų45.910%0.09924%0.243CC..EExtended strand (participates in β ladder)trans-127.9152.6-178.200000111.7T26 Y27 P77 L79T26-A81 CarbonylContact C-O 3.56Å; T26-A81 WeakPolarHBondContact CA-O 3.31Å; T26-A81 WeakPolarHBondContact CB-O 3.42Å; Y27-A81 HydrophobicContact CD1-CB 4.32Å; Y27-A81 VanDerWaalsContact CD1-O 3.25Å; Y27-A81 WeakPolarHBondContact CD1-O 3.4Å; Y27-A81 HydrophobicContact CE1-CB 3.62Å; Y27-A81 PolarHBondContact N-O 3.23Å; Y27-A81 PolarHBondContact O-N 3.21Å; P77-A81 HydrophobicContact CB-CB 3.77Å; L79-A81 HydrophobicContact CD2-CB 3.95Å
82V96.8Very high95.7Very high36 Ų3648 Ų4822%0.21825%0.249CC..EExtended strand (participates in β ladder)trans-82.7136.3165-179.40000108.2A24 T26 G115 Q118A24-V82 HydrophobicContact CB-CG1 4.13Å; A24-V82 HydrophobicContact CB-CG2 4.1Å; T26-V82 HydrophobicContact CG2-CG2 3.87Å; V82-G115 WeakPolarHBondContact CG1-O 3.38Å; V82-G115 WeakPolarHBondContact O-CA 3.46Å; V82-Q118 HydrophobicContact CG1-CB 4.05Å; V82-Q118 HydrophobicContact CG1-CG 4.27Å
83A97.8Very high95.7Very high1 Ų143 Ų431%0.00822%0.224CC..  trans-77.2163.8179.300000112.7I25 Y27 L37 I69 G115 T116 W117I25-A83 PolarHBondContact O-N 2.91Å; Y27-A83 HydrophobicContact CD1-CB 4.28Å; Y27-A83 HydrophobicContact CE1-CB 4.22Å; L37-A83 HydrophobicContact CD2-CB 3.82Å; I69-A83 HydrophobicContact CD1-CB 4.08Å; I69-A83 HydrophobicContact CG1-CB 4.32Å; A83-G115 CarbonylContact O-C 3.52Å; A83-G115 VanDerWaalsContact O-C 3.23Å; A83-G115 WeakPolarHBondContact O-CA 3.49Å; A83-T116 PolarHBondContact O-N 2.79Å; A83-W117 HydrophobicContact CB-CD2 3.85Å; A83-W117 HydrophobicContact CB-CE3 3.3Å; A83-W117 HydrophobicContact CB-CG 4.43Å; A83-W117 HydrophobicContact CB-CH2 4.47Å; A83-W117 HydrophobicContact CB-CZ3 3.67Å; A83-W117 VanDerWaalsContact O-CB 3.31Å; A83-W117 WeakPolarHBondContact O-CB 3.44Å; A83-W117 PolarHBondContact O-N 2.83Å
84G97.2Very high95.8Very high8 Ų842.6 Ų42.68%0.08223%0.227CC..  trans93.2144.2176.900000114.7G115 T116G84-G115 WeakPolarHBondContact O-CA 3.38Å; G84-G115 PolarHBondContact O-N 2.87Å; G84-T116 WeakPolarHBondContact CA-OG1 3.28Å; G84-T116 PolarHBondContact O-N 2.88Å; G84-T116 VanDerWaalsContact O-N 3.1Å
85N96.4Very high95.9Very high14 Ų1438.6 Ų38.68%0.07520%0.202CC..SBendtrans-112.4-41.1-175.1179.853.9000114.5D65 A113 T116 I145D65-N85 WeakPolarHBondContact OD1-CB 3.38Å; D65-N85 PolarHBondContact OD1-N 3.5Å; N85-A113 WeakPolarHBondContact OD1-CA 3.39Å; N85-A113 PolarHBondContact OD1-N 3.18Å; N85-T116 PolarHBondContact N-OG1 3.39Å; N85-T116 WeakPolarHBondContact O-CG2 3.46Å; N85-I145 WeakPolarHBondContact ND2-CD1 3.28Å
86E97.1Very high96.1Very high2 Ų244.4 Ų44.41%0.00923%0.227CC..  trans-121.8159.8179.469.2175.8160.800111.5P60 N62 T116 A141 A144 I145P60-E86 WeakPolarHBondContact CD-O 3.35Å; P60-E86 HydrophobicContact CG-CG 3.42Å; P60-E86 VanDerWaalsContact CG-CG 3.42Å; P60-E86 WeakPolarHBondContact CG-OE1 3.33Å; N62-E86 PolarHBondContact ND2-OE1 3.47Å; N62-E86 PolarHBondContact OD1-OE1 3.48Å; E86-T116 PolarHBondContact N-OG1 3.48Å; E86-T116 WeakPolarHBondContact O-CB 3.23Å; E86-T116 PolarHBondContact O-OG1 3.1Å; E86-A141 WeakPolarHBondContact CG-O 3.38Å; E86-A144 HydrophobicContact CB-CB 4.08Å; E86-A144 PolarHBondContact OE2-N 3.25Å; E86-I145 HydrophobicContact CB-CG1 3.97Å; E86-I145 HydrophobicContact CG-CG1 3.94Å; E86-I145 WeakPolarHBondContact OE2-CB 3.5Å; E86-I145 VanDerWaalsContact OE2-CG1 3.25Å; E86-I145 WeakPolarHBondContact OE2-CG1 3.43Å; E86-I145 PolarHBondContact OE2-N 3.35Å
87G97.9Very high96.3Very high1 Ų142.2 Ų42.21%0.0122%0.222CC..  trans174.6176.7179.700000110.5A58 I108 P109A58-G87 CarbonylContact O-C 3.47Å; A58-G87 WeakPolarHBondContact O-CA 3.3Å; G87-I108 WeakPolarHBondContact O-CB 3.3Å; G87-I108 VanDerWaalsContact O-CG2 3.31Å; G87-I108 WeakPolarHBondContact O-CG2 3.4Å; G87-P109 WeakPolarHBondContact O-CD 3.31Å
88A98.4Very high96.4Very high0 Ų041.8 Ų41.80%022%0.219CC..EExtended strand (participates in β ladder)trans-135.4148.417500000111.4C57 A58 T106 V107 I108 A140 A141C57-A88 PolarHBondContact N-O 3.37Å; A58-A88 PolarHBondContact N-O 2.8Å; A58-A88 VanDerWaalsContact N-O 3.16Å; A58-A88 PolarHBondContact O-N 3.22Å; A88-T106 HydrophobicContact CB-CG2 4.5Å; A88-V107 WeakPolarHBondContact CA-O 3.22Å; A88-I108 HydrophobicContact CB-CG2 4Å; A88-A140 HydrophobicContact CB-CB 3.61Å; A88-A141 HydrophobicContact CB-CB 3.98Å
89G98Very high96.3Very high0 Ų039.3 Ų39.30%022%0.215CC..EExtended strand (participates in β ladder)trans-152.4172.5177.600000113.1K55 T106 V107K55-G89 CarbonylContact O-C 3.59Å; K55-G89 WeakPolarHBondContact O-CA 3.26Å; G89-T106 CarbonylContact O-C 3.6Å; G89-T106 WeakPolarHBondContact O-CA 3.47Å; G89-V107 PolarHBondContact N-O 3.38Å; G89-V107 PolarHBondContact O-N 3.02Å
90K97.8Very high96.2Very high76 Ų7639.9 Ų39.933%0.3323%0.233SC..EExtended strand (participates in β ladder)trans-104.5132.1178.2-71.4-65.5-163.9175.50110.7V54 K55 I92 G104 D105 T106V54-K90 CarbonylContact C-O 3.55Å; V54-K90 WeakPolarHBondContact CA-O 3.45Å; K55-K90 PolarHBondContact N-O 2.65Å; K55-K90 PolarHBondContact O-N 2.75Å; K90-I92 PolarHBondContact O-N 3.46Å; K90-G104 VanDerWaalsContact CD-O 3.31Å; K90-G104 WeakPolarHBondContact CD-O 3.29Å; K90-G104 PolarHBondContact NZ-O 3.01Å; K90-D105 WeakPolarHBondContact CA-O 3.37Å; K90-T106 VanDerWaalsContact CE-OG1 3.32Å; K90-T106 WeakPolarHBondContact CE-OG1 3.46Å; K90-T106 PolarHBondContact NZ-OG1 2.87Å
91I97.2Very high96.2Very high1 Ų136.8 Ų36.81%0.00521%0.209CC..EExtended strand (participates in β ladder)trans-65.5125.1171-57.7-172000108.9I52 V54 A93 C94 F101 I103 G104 D105 V107I52-I91 HydrophobicContact CB-CG2 4.45Å; I52-I91 HydrophobicContact CD1-CD1 3.74Å; I52-I91 HydrophobicContact CD1-CG1 4.09Å; I52-I91 HydrophobicContact CG2-CD1 4.43Å; V54-I91 HydrophobicContact CG2-CG1 4.43Å; I91-A93 WeakPolarHBondContact CG2-O 3.29Å; I91-C94 VanDerWaalsContact CG2-SG 3.57Å; I91-F101 HydrophobicContact CD1-CB 3.74Å; I91-F101 HydrophobicContact CD1-CD1 3.69Å; I91-F101 HydrophobicContact CD1-CG 4.1Å; I91-I103 WeakPolarHBondContact O-CA 3.49Å; I91-G104 PolarHBondContact O-N 2.78Å; I91-D105 HydrophobicContact CD1-CB 3.99Å; I91-D105 HydrophobicContact CG1-CB 4.24Å; I91-D105 PolarHBondContact N-O 2.88Å; I91-V107 HydrophobicContact CD1-CG1 3.81Å; I91-V107 HydrophobicContact CG1-CG1 3.95Å; I91-V107 HydrophobicContact CG1-CG2 4.05Å
92I95.5Very high96.2Very high61 Ų6139.5 Ų39.531%0.31323%0.228SC..EExtended strand (participates in β ladder)trans-110.9-17.5176.861.5166.1000112.9L53 K55 K90 Y120L53-I92 HydrophobicContact CB-CG1 4.17Å; L53-I92 HydrophobicContact CD2-CD1 3.62Å; L53-I92 HydrophobicContact CD2-CG1 3.88Å; L53-I92 HydrophobicContact CG-CD1 3.85Å; L53-I92 HydrophobicContact CG-CG1 3.75Å; L53-I92 WeakPolarHBondContact O-CG1 3.29Å; L53-I92 PolarHBondContact O-N 3.2Å; K55-I92 HydrophobicContact CB-CD1 4.46Å; K55-I92 HydrophobicContact CB-CG2 3.82Å; K90-I92 PolarHBondContact O-N 3.46Å; I92-Y120 HydrophobicContact CD1-CD1 4.06Å; I92-Y120 HydrophobicContact CD1-CE1 3.66Å
93A94.3Very high96.2Very high6 Ų643.4 Ų43.45%0.0525%0.246CC..EExtended strand (participates in β ladder)trans-155.2151.7170.200000111.6W13 F47 I52 L53 I91W13-A93 HydrophobicContact CH2-CB 3.4Å; W13-A93 HydrophobicContact CZ2-CB 3.7Å; W13-A93 HydrophobicContact CZ3-CB 3.88Å; F47-A93 HydrophobicContact CE1-CB 3.53Å; F47-A93 HydrophobicContact CZ-CB 3.57Å; I52-A93 WeakPolarHBondContact CA-O 3.38Å; L53-A93 HydrophobicContact CB-CB 4.2Å; L53-A93 PolarHBondContact N-O 2.83Å; L53-A93 PolarHBondContact O-N 2.89Å; I91-A93 WeakPolarHBondContact CG2-O 3.29Å
94C95.3Very high96.2Very high39 Ų3945.2 Ų45.226%0.26427%0.265SS..EExtended strand (participates in β ladder)trans-125142.4176.4-62.10000110.3F47 I52 I91 V98F47-C94 VanDerWaalsContact CE2-C 3.46Å; I52-C94 HydrophobicContact CG2-CB 4.48Å; I91-C94 VanDerWaalsContact CG2-SG 3.57Å; C94-V98 HydrophobicContact CB-CB 4.15Å; C94-V98 HydrophobicContact CB-CG1 4.3Å
95G94.8Very high96.2Very high6 Ų646.6 Ų46.66%0.06227%0.27CS..  trans-62.9152.6164.900000111.6F47 N49 E51 N97 V98F47-G95 VanDerWaalsContact CE2-N 3.33Å; N49-G95 CarbonylContact O-C 3.07Å; N49-G95 WeakPolarHBondContact O-CA 3.44Å; E51-G95 WeakPolarHBondContact O-CA 3.37Å; E51-G95 PolarHBondContact O-N 3.41Å; G95-N97 PolarHBondContact O-N 2.88Å; G95-N97 VanDerWaalsContact O-N 3.15Å; G95-V98 WeakPolarHBondContact O-CB 3.44Å; G95-V98 PolarHBondContact O-N 3.3Å
96K94.8Very high96.3Very high149 Ų14946.6 Ų46.665%0.64827%0.271SS*.THydrogen-bonded Turntrans-63.8-19-175.672.7-173-170.1-170.20114.5N49N49-K96 HydrophobicContact CB-CD 4.33Å; N49-K96 HydrophobicContact CB-CG 3.88Å; N49-K96 VanDerWaalsContact ND2-CE 3.35Å; N49-K96 WeakPolarHBondContact ND2-CE 3.37Å; N49-K96 PolarHBondContact ND2-NZ 3.13Å; N49-K96 PolarHBondContact O-N 3.22Å; N49-K96 VanDerWaalsContact OD1-CD 3.31Å; N49-K96 WeakPolarHBondContact OD1-CD 3.35Å; N49-K96 WeakPolarHBondContact OD1-CE 3.25Å; N49-K96 WeakPolarHBondContact OD1-CG 3.15Å
97N95.9Very high96.4Very high100 Ų10046.5 Ų46.554%0.53527%0.271SS..THydrogen-bonded Turntrans-104.612178.8-59.6-14.4000111.8N49 G95 D99N49-N97 WeakPolarHBondContact O-CA 3.44Å; N49-N97 WeakPolarHBondContact O-CB 3.31Å; N49-N97 PolarHBondContact O-N 3.31Å; G95-N97 PolarHBondContact O-N 2.88Å; G95-N97 VanDerWaalsContact O-N 3.15Å; N97-D99 PolarHBondContact O-N 3.05Å
98V96.3Very high96.4Very high18 Ų1846.5 Ų46.511%0.10927%0.271CS..  trans-83.6115177.31720000109.6E51 I52 C94 G95 F101 A125E51-V98 WeakPolarHBondContact O-CG2 3.44Å; I52-V98 HydrophobicContact CG2-CB 4.45Å; I52-V98 HydrophobicContact CG2-CG1 3.75Å; I52-V98 HydrophobicContact CG2-CG2 4.01Å; C94-V98 HydrophobicContact CB-CB 4.15Å; C94-V98 HydrophobicContact CB-CG1 4.3Å; G95-V98 WeakPolarHBondContact O-CB 3.44Å; G95-V98 PolarHBondContact O-N 3.3Å; V98-F101 HydrophobicContact CG1-CB 3.88Å; V98-F101 HydrophobicContact CG1-CD2 4.45Å; V98-A125 HydrophobicContact CB-CB 4.46Å; V98-A125 HydrophobicContact CG1-CB 3.7Å; V98-A125 HydrophobicContact CG2-CB 4.14Å
99D92.9Very high96.3Very high143 Ų14346.9 Ų46.977%0.76527%0.273SS*.  trans-103.4152.9172.9-68.7-43.2000111.5N97 F101N97-D99 PolarHBondContact O-N 3.05Å; D99-F101 PolarHBondContact O-N 3.11Å
100G93.7Very high96.1Very high64 Ų6448.1 Ų48.166%0.6628%0.279SS*.SBendtrans76.4-4.6174.200000115.7K130G100-K130 VanDerWaalsContact O-CE 3.23Å; G100-K130 WeakPolarHBondContact O-CE 3.36Å; G100-K130 PolarHBondContact O-NZ 2.92Å
101F96.6Very high95.6Very high35 Ų3546.2 Ų46.215%0.15428%0.282CS..  trans-124.2149.9175.9-68.8-88.7000111.6I91 V98 D99 V107 A125 F128 K130I91-F101 HydrophobicContact CD1-CB 3.74Å; I91-F101 HydrophobicContact CD1-CD1 3.69Å; I91-F101 HydrophobicContact CD1-CG 4.1Å; V98-F101 HydrophobicContact CG1-CB 3.88Å; V98-F101 HydrophobicContact CG1-CD2 4.45Å; D99-F101 PolarHBondContact O-N 3.11Å; F101-V107 HydrophobicContact CD1-CG1 3.9Å; F101-V107 HydrophobicContact CE1-CG1 3.77Å; F101-A125 HydrophobicContact CD2-CB 3.82Å; F101-A125 HydrophobicContact CE2-CB 4.05Å; F101-A125 VanDerWaalsContact CE2-O 3.27Å; F101-A125 WeakPolarHBondContact CE2-O 3.33Å; F101-A125 WeakPolarHBondContact CZ-O 3.32Å; F101-F128 HydrophobicContact CE1-CB 4.39Å; F101-F128 HydrophobicContact CZ-CB 4.39Å; F101-K130 HydrophobicContact CE1-CB 4.13Å
102S96.5Very high95.1Very high69 Ų6948.5 Ų48.548%0.48329%0.293SS..  trans-140.7152-177.9-66.20000111.2G104 D105S102-G104 PolarHBondContact O-N 2.91Å; S102-D105 PolarHBondContact N-OD2 3.06Å; S102-D105 VanDerWaalsContact O-CB 3.24Å; S102-D105 WeakPolarHBondContact O-CB 3.38Å; S102-D105 VanDerWaalsContact O-CG 3.27Å; S102-D105 PolarHBondContact O-N 3.1Å; S102-D105 VanDerWaalsContact O-N 3.07Å
103I96.8Very high94.6Very high118 Ų11846.7 Ų46.761%0.60529%0.288SS*.THydrogen-bonded Turntrans-54.9133.9172.1-63.6174.8000109I91I91-I103 WeakPolarHBondContact O-CA 3.49Å
104G97Very high94.2Very high40 Ų4048.3 Ų48.341%0.41230%0.299SS..THydrogen-bonded Turntrans91.6-12.4-176.700000114.9K90 I91 S102K90-G104 VanDerWaalsContact CD-O 3.31Å; K90-G104 WeakPolarHBondContact CD-O 3.29Å; K90-G104 PolarHBondContact NZ-O 3.01Å; I91-G104 PolarHBondContact O-N 2.78Å; S102-G104 PolarHBondContact O-N 2.91Å
105D98.1Very high94.2Very high36 Ų3646.7 Ų46.719%0.19329%0.288CS..  trans-60.4138.8171.8-76.7-25.9000110.6K90 I91 S102 K130K90-D105 WeakPolarHBondContact CA-O 3.37Å; I91-D105 HydrophobicContact CD1-CB 3.99Å; I91-D105 HydrophobicContact CG1-CB 4.24Å; I91-D105 PolarHBondContact N-O 2.88Å; S102-D105 PolarHBondContact N-OD2 3.06Å; S102-D105 VanDerWaalsContact O-CB 3.24Å; S102-D105 WeakPolarHBondContact O-CB 3.38Å; S102-D105 VanDerWaalsContact O-CG 3.27Å; S102-D105 PolarHBondContact O-N 3.1Å; S102-D105 VanDerWaalsContact O-N 3.07Å; D105-K130 HydrophobicContact CB-CD 4.41Å; D105-K130 HydrophobicContact CB-CG 4.42Å; D105-K130 IonicContact OD1-NZ 3.69Å; D105-K130 WeakPolarHBondContact OD2-CE 3.41Å; D105-K130 IonicContact OD2-NZ 2.68Å; D105-K130 PolarHBondContact OD2-NZ 3.14Å
106T98.4Very high94.2Very high15 Ų1546.4 Ų46.49%0.09229%0.286CS..EExtended strand (participates in β ladder)trans-83.7129167.4-56.50000109A88 G89 K90 I131 M137 A140A88-T106 HydrophobicContact CB-CG2 4.5Å; G89-T106 CarbonylContact O-C 3.6Å; G89-T106 WeakPolarHBondContact O-CA 3.47Å; K90-T106 VanDerWaalsContact CE-OG1 3.32Å; K90-T106 WeakPolarHBondContact CE-OG1 3.46Å; K90-T106 PolarHBondContact NZ-OG1 2.87Å; T106-I131 HydrophobicContact CG2-CB 4Å; T106-I131 HydrophobicContact CG2-CG1 3.89Å; T106-I131 PolarHBondContact O-N 2.88Å; T106-M137 HydrophobicContact CG2-CE 3.8Å; T106-M137 HydrophobicContact CG2-SD 3.8Å; T106-A140 HydrophobicContact CG2-CB 4.2Å
107V98.3Very high94.4Very high0 Ų039.4 Ų39.40%026%0.255CS..EExtended strand (participates in β ladder)trans-131.7154.1179.4-64.30000112.4V54 A88 G89 I91 F101 F128 L129V54-V107 HydrophobicContact CB-CG2 4.4Å; V54-V107 HydrophobicContact CG1-CG2 3.74Å; V54-V107 HydrophobicContact CG2-CG2 3.69Å; A88-V107 WeakPolarHBondContact CA-O 3.22Å; G89-V107 PolarHBondContact N-O 3.38Å; G89-V107 PolarHBondContact O-N 3.02Å; I91-V107 HydrophobicContact CD1-CG1 3.81Å; I91-V107 HydrophobicContact CG1-CG1 3.95Å; I91-V107 HydrophobicContact CG1-CG2 4.05Å; F101-V107 HydrophobicContact CD1-CG1 3.9Å; F101-V107 HydrophobicContact CE1-CG1 3.77Å; V107-F128 HydrophobicContact CB-CB 4.22Å; V107-F128 HydrophobicContact CB-CD1 4.39Å; V107-F128 HydrophobicContact CG2-CD1 4.1Å; V107-L129 CarbonylContact C-O 3.6Å; V107-L129 VanDerWaalsContact CA-O 3.23Å; V107-L129 WeakPolarHBondContact CA-O 3.35Å
108I98Very high94.4Very high1 Ų136.3 Ų36.31%0.00524%0.238CC..EExtended strand (participates in β ladder)trans-124.5150.8171.265.9176.1000109G87 A88 F128 L129 I131 A144 V305G87-I108 WeakPolarHBondContact O-CB 3.3Å; G87-I108 VanDerWaalsContact O-CG2 3.31Å; G87-I108 WeakPolarHBondContact O-CG2 3.4Å; A88-I108 HydrophobicContact CB-CG2 4Å; I108-F128 CarbonylContact O-C 3.54Å; I108-F128 WeakPolarHBondContact O-CA 3.44Å; I108-L129 HydrophobicContact CD1-CB 4.38Å; I108-L129 HydrophobicContact CG1-CB 3.86Å; I108-L129 PolarHBondContact N-O 2.86Å; I108-L129 PolarHBondContact O-N 3.47Å; I108-I131 HydrophobicContact CD1-CD1 4.08Å; I108-I131 HydrophobicContact CG1-CD1 4.32Å; I108-I131 HydrophobicContact CG2-CD1 3.96Å; I108-I131 HydrophobicContact CG2-CG1 4.09Å; I108-A144 HydrophobicContact CD1-CB 4.14Å; I108-V305 HydrophobicContact CD1-CG1 4.4Å; I108-V305 HydrophobicContact CD1-CG2 3.77Å
109P96.2Very high94.4Very high8 Ų836.1 Ų36.15%0.05224%0.236CC..EExtended strand (participates in β ladder)trans-68.8141.6178.328-33.3000111.6G87 S114 T116 W121G87-P109 WeakPolarHBondContact O-CD 3.31Å; P109-S114 WeakPolarHBondContact CB-OG 3.47Å; P109-T116 HydrophobicContact CG-CG2 3.9Å; P109-W121 HydrophobicContact CG-CH2 4.4Å
110L93.3Very high94.6Very high25 Ų2531.3 Ų31.313%0.13121%0.208CC..  trans-82.4-30.8170.8-171.572.6000111.1D126 S127 L129 P298 R301L110-D126 WeakPolarHBondContact CD2-O 3.29Å; L110-S127 VanDerWaalsContact CB-O 3.24Å; L110-S127 WeakPolarHBondContact CB-O 3.42Å; L110-S127 PolarHBondContact N-O 2.97Å; L110-L129 HydrophobicContact CD1-CD1 3.72Å; L110-L129 HydrophobicContact CD1-CD2 3.72Å; L110-L129 HydrophobicContact CD1-CG 3.63Å; L110-P298 HydrophobicContact CD2-CB 4.27Å; L110-P298 HydrophobicContact CD2-CG 4.15Å; L110-R301 HydrophobicContact CD1-CB 4.27Å; L110-R301 PolarHBondContact O-NH1 3.31Å; L110-R301 PolarHBondContact O-NH2 2.85Å
111G87.6Confident94.5Very high37 Ų3728.8 Ų28.838%0.38118%0.178SC..SBendtrans-64.3179.4-174.400000115.2
112L86.7Confident94.3Very high48 Ų4829.8 Ų29.825%0.25119%0.189SC..SBendtrans-109142.6171.7-61-178.9000108.9I75 S114 L294I75-L112 HydrophobicContact CD1-CB 4Å; I75-L112 HydrophobicContact CD1-CD1 3.96Å; I75-L112 HydrophobicContact CD1-CD2 4.49Å; I75-L112 HydrophobicContact CD1-CG 4.38Å; I75-L112 HydrophobicContact CG1-CD1 4.49Å; L112-S114 PolarHBondContact O-N 3.26Å; L112-L294 HydrophobicContact CD1-CD1 3.75Å; L112-L294 HydrophobicContact CD1-CD2 3.91Å; L112-L294 HydrophobicContact CD1-CG 3.85Å
113A84.5Confident94.1Very high23 Ų2327.1 Ų27.119%0.1917%0.172CC..SBendtrans44.950.6-175.600000111.6I75 P77 N85 G115I75-A113 HydrophobicContact CG2-CB 3.72Å; P77-A113 HydrophobicContact CG-CB 3.62Å; N85-A113 WeakPolarHBondContact OD1-CA 3.39Å; N85-A113 PolarHBondContact OD1-N 3.18Å; A113-G115 PolarHBondContact O-N 3.27Å
114S87.7Confident94Very high40 Ų4026.3 Ų26.328%0.2817%0.165SC..  trans-68.33.1-171.4-64.10000114.8P109 L112P109-S114 WeakPolarHBondContact CB-OG 3.47Å; L112-S114 PolarHBondContact O-N 3.26Å
115G94.1Very high93.9Very high5 Ų525 Ų255%0.05215%0.149CC..  trans66.554.6-179.200000110.7V82 A83 G84 A113 W117 Q118 W121V82-G115 WeakPolarHBondContact CG1-O 3.38Å; V82-G115 WeakPolarHBondContact O-CA 3.46Å; A83-G115 CarbonylContact O-C 3.52Å; A83-G115 VanDerWaalsContact O-C 3.23Å; A83-G115 WeakPolarHBondContact O-CA 3.49Å; G84-G115 WeakPolarHBondContact O-CA 3.38Å; G84-G115 PolarHBondContact O-N 2.87Å; A113-G115 PolarHBondContact O-N 3.27Å; G115-W117 VanDerWaalsContact C-N 3.33Å; G115-W117 PolarHBondContact O-N 3.1Å; G115-Q118 VanDerWaalsContact O-CG 3.29Å; G115-Q118 WeakPolarHBondContact O-CG 3.48Å; G115-Q118 PolarHBondContact O-NE2 2.95Å; G115-W121 PolarHBondContact O-NE1 2.91Å
116T96Very high93.7Very high0 Ų028.5 Ų28.50%017%0.168CC..  trans-81-10.5-169.258.50000114.7A59 A83 G84 N85 E86 P109 Q118 W121A59-T116 WeakPolarHBondContact CB-O 3.48Å; A83-T116 PolarHBondContact O-N 2.79Å; G84-T116 WeakPolarHBondContact CA-OG1 3.28Å; G84-T116 PolarHBondContact O-N 2.88Å; G84-T116 VanDerWaalsContact O-N 3.1Å; N85-T116 PolarHBondContact N-OG1 3.39Å; N85-T116 WeakPolarHBondContact O-CG2 3.46Å; E86-T116 PolarHBondContact N-OG1 3.48Å; E86-T116 WeakPolarHBondContact O-CB 3.23Å; E86-T116 PolarHBondContact O-OG1 3.1Å; P109-T116 HydrophobicContact CG-CG2 3.9Å; T116-Q118 PolarHBondContact O-N 3.17Å; T116-W121 HydrophobicContact CG2-CH2 4.26Å; T116-W121 HydrophobicContact CG2-CZ2 3.55Å
117W97.7Very high93.5Very high2 Ų230.2 Ų30.21%0.00818%0.181CC..SBendtrans-83.659.4175.9-58.1-4.6000110.9A24 I25 L37 P60 I61 D65 I66 I69 A83 G115 F327 L353A24-W117 CarbonylContact C-O 3.56Å; A24-W117 WeakPolarHBondContact CA-O 3.34Å; I25-W117 HydrophobicContact CB-CB 4.2Å; I25-W117 HydrophobicContact CB-CE3 4.22Å; I25-W117 HydrophobicContact CG1-CB 4.3Å; I25-W117 HydrophobicContact CG2-CE3 4.29Å; I25-W117 PolarHBondContact N-O 3.12Å; L37-W117 HydrophobicContact CD1-CZ3 3.92Å; P60-W117 PolarHBondContact O-NE1 2.99Å; P60-W117 VanDerWaalsContact O-NE1 3.11Å; I61-W117 HydrophobicContact CB-CZ2 4.03Å; I61-W117 HydrophobicContact CD1-CH2 4.38Å; I61-W117 HydrophobicContact CD1-CZ2 4.3Å; I61-W117 HydrophobicContact CG1-CH2 4.2Å; I61-W117 HydrophobicContact CG1-CZ2 3.65Å; I61-W117 HydrophobicContact CG2-CH2 3.99Å; I61-W117 HydrophobicContact CG2-CZ2 3.77Å; D65-W117 HydrophobicContact CB-CH2 4.16Å; D65-W117 HydrophobicContact CB-CZ2 3.67Å; I66-W117 HydrophobicContact CD1-CH2 4.49Å; I69-W117 HydrophobicContact CD1-CH2 3.8Å; I69-W117 HydrophobicContact CD1-CZ3 3.83Å; A83-W117 HydrophobicContact CB-CD2 3.85Å; A83-W117 HydrophobicContact CB-CE3 3.3Å; A83-W117 HydrophobicContact CB-CG 4.43Å; A83-W117 HydrophobicContact CB-CH2 4.47Å; A83-W117 HydrophobicContact CB-CZ3 3.67Å; A83-W117 VanDerWaalsContact O-CB 3.31Å; A83-W117 WeakPolarHBondContact O-CB 3.44Å; A83-W117 PolarHBondContact O-N 2.83Å; G115-W117 VanDerWaalsContact C-N 3.33Å; G115-W117 PolarHBondContact O-N 3.1Å; W117-F327 HydrophobicContact CB-CE2 4.34Å; W117-F327 WeakPolarHBondContact O-CZ 3.39Å; W117-L353 HydrophobicContact CB-CD1 4.38Å; W117-L353 HydrophobicContact CD2-CD1 4.13Å; W117-L353 HydrophobicContact CG-CD1 3.91Å
118Q96.7Very high93.4Very high36 Ų3631 Ų3117%0.16819%0.185CC..BIsolated β-bridgetrans-148.8163175.564.9-176-44.900111.4E23 A24 V56 V82 G115 T116 Y120E23-Q118 CarbonylContact O-C 3.56Å; E23-Q118 WeakPolarHBondContact O-CA 3.4Å; E23-Q118 WeakPolarHBondContact O-CB 3.44Å; A24-Q118 HydrophobicContact CB-CB 3.66Å; V56-Q118 WeakPolarHBondContact CB-O 3.43Å; V56-Q118 WeakPolarHBondContact CG1-O 3.29Å; V56-Q118 VanDerWaalsContact CG2-O 3.22Å; V56-Q118 WeakPolarHBondContact CG2-O 3.4Å; V82-Q118 HydrophobicContact CG1-CB 4.05Å; V82-Q118 HydrophobicContact CG1-CG 4.27Å; G115-Q118 VanDerWaalsContact O-CG 3.29Å; G115-Q118 WeakPolarHBondContact O-CG 3.48Å; G115-Q118 PolarHBondContact O-NE2 2.95Å; T116-Q118 PolarHBondContact O-N 3.17Å; Q118-Y120 WeakPolarHBondContact CG-O 3.42Å; Q118-Y120 PolarHBondContact OE1-O 3.49Å; Q118-Y120 VanDerWaalsContact OE1-O 3.09Å
119T96.6Very high93.3Very high13 Ų1331.3 Ų31.38%0.0819%0.186CC..SBendtrans-84.9-22.1-174.857.20000114S22 E23 V56 F327 M355S22-T119 WeakPolarHBondContact CA-OG1 3.46Å; E23-T119 HydrophobicContact CB-CG2 3.93Å; E23-T119 PolarHBondContact N-OG1 3.37Å; E23-T119 PolarHBondContact O-N 2.86Å; V56-T119 PolarHBondContact N-O 2.79Å; T119-F327 HydrophobicContact CG2-CD1 4.12Å; T119-F327 HydrophobicContact CG2-CE1 4.12Å; T119-M355 HydrophobicContact CG2-CB 4.44Å; T119-M355 HydrophobicContact CG2-SD 4.35Å
120Y95.3Very high93.4Very high43 Ų4333.1 Ų33.117%0.16919%0.193CC..EExtended strand (participates in β ladder)trans-134.8142.5176.1-64.6-82.1000113.1V20 S22 V44 L53 V54 K55 I92 Q118V20-Y120 HydrophobicContact CG1-CD2 4.15Å; V20-Y120 HydrophobicContact CG1-CE1 4.36Å; V20-Y120 HydrophobicContact CG1-CE2 3.49Å; V20-Y120 VanDerWaalsContact CG1-CE2 3.49Å; S22-Y120 PolarHBondContact OG-N 2.87Å; V44-Y120 HydrophobicContact CG2-CD2 3.88Å; V44-Y120 HydrophobicContact CG2-CG 4.04Å; L53-Y120 HydrophobicContact CD1-CD1 4.38Å; V54-Y120 CarbonylContact O-C 3.5Å; V54-Y120 VanDerWaalsContact O-CA 3.26Å; V54-Y120 WeakPolarHBondContact O-CA 3.2Å; K55-Y120 HydrophobicContact CB-CD1 4.21Å; K55-Y120 HydrophobicContact CB-CE1 3.89Å; K55-Y120 HydrophobicContact CG-CD1 4.5Å; K55-Y120 HydrophobicContact CG-CE1 3.96Å; I92-Y120 HydrophobicContact CD1-CD1 4.06Å; I92-Y120 HydrophobicContact CD1-CE1 3.66Å; Q118-Y120 WeakPolarHBondContact CG-O 3.42Å; Q118-Y120 PolarHBondContact OE1-O 3.49Å; Q118-Y120 VanDerWaalsContact OE1-O 3.09Å
121W93Very high93.6Very high11 Ų1132.5 Ų32.54%0.04219%0.19CC..EExtended strand (participates in β ladder)trans-113142.1165.3-56.8-37.2000111L53 V54 V56 P109 G115 T116 F128L53-W121 WeakPolarHBondContact CA-O 3.16Å; L53-W121 WeakPolarHBondContact CD1-O 3.37Å; V54-W121 HydrophobicContact CB-CB 4.18Å; V54-W121 HydrophobicContact CB-CE3 4.15Å; V54-W121 HydrophobicContact CG1-CE3 3.85Å; V54-W121 HydrophobicContact CG1-CZ3 4.31Å; V54-W121 PolarHBondContact N-O 3.14Å; V54-W121 PolarHBondContact O-N 3.34Å; V56-W121 HydrophobicContact CB-CZ2 4.29Å; V56-W121 HydrophobicContact CG1-CH2 3.97Å; V56-W121 HydrophobicContact CG1-CZ2 3.67Å; V56-W121 HydrophobicContact CG2-CD2 3.45Å; V56-W121 VanDerWaalsContact CG2-CD2 3.45Å; V56-W121 HydrophobicContact CG2-CE3 3.98Å; V56-W121 HydrophobicContact CG2-CG 3.79Å; V56-W121 HydrophobicContact CG2-CH2 4.12Å; V56-W121 HydrophobicContact CG2-CZ2 3.6Å; V56-W121 HydrophobicContact CG2-CZ3 4.3Å; P109-W121 HydrophobicContact CG-CH2 4.4Å; G115-W121 PolarHBondContact O-NE1 2.91Å; T116-W121 HydrophobicContact CG2-CH2 4.26Å; T116-W121 HydrophobicContact CG2-CZ2 3.55Å; W121-F128 HydrophobicContact CB-CE1 4.33Å; W121-F128 HydrophobicContact CB-CZ 4.22Å; W121-F128 HydrophobicContact CD2-CE1 4.46Å; W121-F128 AromaticContact CE3-CE1 3.82Å; W121-F128 HydrophobicContact CE3-CE1 3.82Å
122C92Very high94Very high56 Ų5636.8 Ų36.838%0.37820%0.198SC..EExtended strand (participates in β ladder)trans-127.1129.2169.5-1760000108.1F47 E51 I52F47-C122 WeakPolarHBondContact CB-SG 3.4Å; E51-C122 PolarHBondContact OE2-SG 2.93Å; I52-C122 WeakPolarHBondContact O-CA 3.45Å
123G92.2Very high94.6Very high13 Ų1338.5 Ų38.513%0.13420%0.202CC..EExtended strand (participates in β ladder)trans178.6172.2176.100000112.8E51 I52E51-G123 CarbonylContact C-O 3.54Å; E51-G123 VanDerWaalsContact CA-O 3.23Å; E51-G123 WeakPolarHBondContact CA-O 3.26Å; E51-G123 WeakPolarHBondContact CB-O 3.34Å; I52-G123 PolarHBondContact N-O 2.88Å; I52-G123 PolarHBondContact O-N 3.2Å
124K94.6Very high95.1Very high101 Ų10142.7 Ų42.744%0.43923%0.227SC..EExtended strand (participates in β ladder)trans-57.3140.4-179.7-66.8-171.3174.7-168.20111.4D50 E51 D126 S127 F128D50-K124 VanDerWaalsContact OD2-CE 3.28Å; D50-K124 WeakPolarHBondContact OD2-CE 3.39Å; D50-K124 IonicContact OD2-NZ 3.81Å; E51-K124 HydrophobicContact CG-CG 4.37Å; K124-D126 WeakPolarHBondContact CB-OD1 3.38Å; K124-D126 PolarHBondContact O-N 2.79Å; K124-S127 VanDerWaalsContact O-CB 3.25Å; K124-S127 WeakPolarHBondContact O-CB 3.46Å; K124-S127 PolarHBondContact O-N 2.89Å; K124-F128 VanDerWaalsContact O-CD2 3.25Å; K124-F128 WeakPolarHBondContact O-CD2 3.41Å; K124-F128 WeakPolarHBondContact O-CE2 3.21Å
125A95.2Very high95.6Very high11 Ų1141.8 Ų41.89%0.09122%0.219CC..G310 helixtrans-56.6-34.9-178.100000113.2D50 I52 V98 F101 S127 F128D50-A125 PolarHBondContact O-N 2.92Å; D50-A125 VanDerWaalsContact O-N 3.14Å; I52-A125 HydrophobicContact CG2-CB 4.14Å; V98-A125 HydrophobicContact CB-CB 4.46Å; V98-A125 HydrophobicContact CG1-CB 3.7Å; V98-A125 HydrophobicContact CG2-CB 4.14Å; F101-A125 HydrophobicContact CD2-CB 3.82Å; F101-A125 HydrophobicContact CE2-CB 4.05Å; F101-A125 VanDerWaalsContact CE2-O 3.27Å; F101-A125 WeakPolarHBondContact CE2-O 3.33Å; F101-A125 WeakPolarHBondContact CZ-O 3.32Å; A125-S127 PolarHBondContact O-N 3.03Å; A125-F128 PolarHBondContact O-N 3.23Å
126D93.2Very high95.7Very high110 Ų11044.6 Ų44.659%0.58824%0.237SC*.G310 helixtrans-69.6-10.3177.667.31.7000114.6L110 K124 F128L110-D126 WeakPolarHBondContact CD2-O 3.29Å; K124-D126 WeakPolarHBondContact CB-OD1 3.38Å; K124-D126 PolarHBondContact O-N 2.79Å; D126-F128 PolarHBondContact O-N 3.25Å
127S93.9Very high95.8Very high52 Ų5246.9 Ų46.936%0.36425%0.249SC..G310 helixtrans-86.19175.9-590000112.3L110 K124 A125L110-S127 VanDerWaalsContact CB-O 3.24Å; L110-S127 WeakPolarHBondContact CB-O 3.42Å; L110-S127 PolarHBondContact N-O 2.97Å; K124-S127 VanDerWaalsContact O-CB 3.25Å; K124-S127 WeakPolarHBondContact O-CB 3.46Å; K124-S127 PolarHBondContact O-N 2.89Å; A125-S127 PolarHBondContact O-N 3.03Å
128F96.6Very high95.8Very high17 Ų1747 Ų478%0.07525%0.249CC..EExtended strand (participates in β ladder)trans-130.2154.1-179.6-61.2-88.3000111.9I52 V54 F101 V107 I108 W121 K124 A125 D126I52-F128 HydrophobicContact CD1-CB 4.28Å; I52-F128 HydrophobicContact CD1-CD1 4.45Å; I52-F128 HydrophobicContact CD1-CD2 3.45Å; I52-F128 VanDerWaalsContact CD1-CD2 3.45Å; I52-F128 HydrophobicContact CD1-CE2 3.8Å; I52-F128 HydrophobicContact CD1-CG 3.81Å; I52-F128 HydrophobicContact CD1-CZ 4.44Å; I52-F128 HydrophobicContact CG1-CD2 3.8Å; I52-F128 HydrophobicContact CG1-CE2 3.67Å; I52-F128 HydrophobicContact CG1-CZ 4.38Å; V54-F128 HydrophobicContact CG2-CE1 4.12Å; V54-F128 HydrophobicContact CG2-CZ 4.25Å; F101-F128 HydrophobicContact CE1-CB 4.39Å; F101-F128 HydrophobicContact CZ-CB 4.39Å; V107-F128 HydrophobicContact CB-CB 4.22Å; V107-F128 HydrophobicContact CB-CD1 4.39Å; V107-F128 HydrophobicContact CG2-CD1 4.1Å; I108-F128 CarbonylContact O-C 3.54Å; I108-F128 WeakPolarHBondContact O-CA 3.44Å; W121-F128 HydrophobicContact CB-CE1 4.33Å; W121-F128 HydrophobicContact CB-CZ 4.22Å; W121-F128 HydrophobicContact CD2-CE1 4.46Å; W121-F128 AromaticContact CE3-CE1 3.82Å; W121-F128 HydrophobicContact CE3-CE1 3.82Å; K124-F128 VanDerWaalsContact O-CD2 3.25Å; K124-F128 WeakPolarHBondContact O-CD2 3.41Å; K124-F128 WeakPolarHBondContact O-CE2 3.21Å; A125-F128 PolarHBondContact O-N 3.23Å; D126-F128 PolarHBondContact O-N 3.25Å
129L97.2Very high95.8Very high7 Ų745.7 Ų45.74%0.03725%0.245CC..EExtended strand (participates in β ladder)trans-112.4142.7168.1-63.7175.4000109.1V107 I108 L110 R301 Q302 V305V107-L129 CarbonylContact C-O 3.6Å; V107-L129 VanDerWaalsContact CA-O 3.23Å; V107-L129 WeakPolarHBondContact CA-O 3.35Å; I108-L129 HydrophobicContact CD1-CB 4.38Å; I108-L129 HydrophobicContact CG1-CB 3.86Å; I108-L129 PolarHBondContact N-O 2.86Å; I108-L129 PolarHBondContact O-N 3.47Å; L110-L129 HydrophobicContact CD1-CD1 3.72Å; L110-L129 HydrophobicContact CD1-CD2 3.72Å; L110-L129 HydrophobicContact CD1-CG 3.63Å; L129-R301 HydrophobicContact CD1-CB 3.92Å; L129-Q302 HydrophobicContact CD2-CB 4.1Å; L129-V305 HydrophobicContact CD1-CG2 3.84Å
130K97.6Very high95.9Very high46 Ų4645.1 Ų45.120%0.224%0.241CC..EExtended strand (participates in β ladder)trans-89.4137.1178.5-169.1-178.9-55.3-159.30110.5G100 F101 D105 Q302G100-K130 VanDerWaalsContact O-CE 3.23Å; G100-K130 WeakPolarHBondContact O-CE 3.36Å; G100-K130 PolarHBondContact O-NZ 2.92Å; F101-K130 HydrophobicContact CE1-CB 4.13Å; D105-K130 HydrophobicContact CB-CD 4.41Å; D105-K130 HydrophobicContact CB-CG 4.42Å; D105-K130 IonicContact OD1-NZ 3.69Å; D105-K130 WeakPolarHBondContact OD2-CE 3.41Å; D105-K130 IonicContact OD2-NZ 2.68Å; D105-K130 PolarHBondContact OD2-NZ 3.14Å; K130-Q302 PolarHBondContact O-NE2 3.19Å
131I98.2Very high96Very high12 Ų1243.1 Ų43.16%0.06223%0.234CC..EExtended strand (participates in β ladder)trans-90.3109.6167-52.6-56.4000108.2T106 I108 Y133 I135 A140 L143 V305T106-I131 HydrophobicContact CG2-CB 4Å; T106-I131 HydrophobicContact CG2-CG1 3.89Å; T106-I131 PolarHBondContact O-N 2.88Å; I108-I131 HydrophobicContact CD1-CD1 4.08Å; I108-I131 HydrophobicContact CG1-CD1 4.32Å; I108-I131 HydrophobicContact CG2-CD1 3.96Å; I108-I131 HydrophobicContact CG2-CG1 4.09Å; I131-Y133 WeakPolarHBondContact CG2-O 3.27Å; I131-I135 HydrophobicContact CG2-CD1 3.92Å; I131-I135 HydrophobicContact CG2-CG1 3.95Å; I131-A140 HydrophobicContact CG1-CB 4.32Å; I131-L143 HydrophobicContact CD1-CD2 3.68Å; I131-V305 HydrophobicContact CD1-CG1 3.41Å; I131-V305 VanDerWaalsContact CD1-CG1 3.41Å
132K96.1Very high96.2Very high127 Ų12743 Ų4355%0.55223%0.234SC*.  trans-81.8-29.8-175.5-64.7177-173.9162.40113.8D306K132-D306 WeakPolarHBondContact CE-OD2 3.26Å; K132-D306 IonicContact NZ-OD1 3.84Å; K132-D306 IonicContact NZ-OD2 2.73Å; K132-D306 PolarHBondContact NZ-OD2 2.96Å
133Y97.6Very high96.4Very high84 Ų8440.3 Ų40.333%0.32922%0.216SC..SBendtrans-94.4141.3-176.8-62.8-88.2000110.9I131 I135 D306 S309 K310 C313I131-Y133 WeakPolarHBondContact CG2-O 3.27Å; Y133-I135 PolarHBondContact O-N 3.3Å; Y133-I135 VanDerWaalsContact O-N 3.11Å; Y133-D306 HydrophobicContact CE2-CB 4.44Å; Y133-D306 WeakPolarHBondContact CE2-O 3.44Å; Y133-S309 WeakPolarHBondContact CD2-OG 3.37Å; Y133-K310 HydrophobicContact CD1-CB 4.32Å; Y133-K310 HydrophobicContact CD1-CG 4.44Å; Y133-K310 HydrophobicContact CD2-CB 3.99Å; Y133-K310 HydrophobicContact CE1-CB 4.06Å; Y133-K310 HydrophobicContact CE1-CD 4.38Å; Y133-K310 HydrophobicContact CE1-CG 3.95Å; Y133-K310 HydrophobicContact CE2-CB 3.71Å; Y133-K310 HydrophobicContact CE2-CG 4.42Å; Y133-K310 HydrophobicContact CG-CB 4.28Å; Y133-C313 HydrophobicContact CD1-CB 4.48Å; Y133-C313 HydrophobicContact CG-CB 4.5Å
134P95.5Very high96.6Very high110 Ų11040.3 Ų40.371%0.71421%0.214SC*.  trans-71107.9178.929.4-33.9000110.4
135I97.7Very high96.7Very high22 Ų2236.6 Ų36.611%0.11320%0.199CC..  trans-131.6160.4174.562.1174.6000109.5I131 Y133 M137 C139 A140 S309 F312 C313I131-I135 HydrophobicContact CG2-CD1 3.92Å; I131-I135 HydrophobicContact CG2-CG1 3.95Å; Y133-I135 PolarHBondContact O-N 3.3Å; Y133-I135 VanDerWaalsContact O-N 3.11Å; I135-M137 WeakPolarHBondContact O-CE 3.26Å; I135-C139 HydrophobicContact CB-CB 4.36Å; I135-C139 HydrophobicContact CD1-CB 4.17Å; I135-A140 HydrophobicContact CD1-CB 4Å; I135-A140 HydrophobicContact CG1-CB 4.15Å; I135-S309 WeakPolarHBondContact CG2-O 3.48Å; I135-F312 HydrophobicContact CB-CB 4.47Å; I135-F312 HydrophobicContact CG2-CB 3.65Å; I135-C313 HydrophobicContact CG2-CB 4.1Å
136S97Very high96.9Very high63 Ų6336.9 Ų36.944%0.44120%0.199SC..  trans-60.2152.6175.872.90000111.3S138 C139 A140S136-S138 VanDerWaalsContact C-N 3.25Å; S136-S138 PolarHBondContact O-N 2.86Å; S136-C139 PolarHBondContact O-N 3.41Å; S136-C139 WeakPolarHBondContact OG-CB 3.37Å; S136-C139 PolarHBondContact OG-N 2.97Å; S136-C139 PolarHBondContact OG-SG 3.4Å; S136-A140 PolarHBondContact O-N 3.49Å
137M97.5Very high97.1Very high49 Ų4931.6 Ų31.624%0.24117%0.171CC..Hα-helixtrans-63.5-32.4178.9-72.8-50.892.200112.7C57 A58 T106 I135 A140 A141C57-M137 HydrophobicContact CB-CB 4.16Å; C57-M137 HydrophobicContact CB-CG 3.87Å; C57-M137 HydrophobicContact CB-SD 4.43Å; A58-M137 HydrophobicContact CB-CB 4.42Å; T106-M137 HydrophobicContact CG2-CE 3.8Å; T106-M137 HydrophobicContact CG2-SD 3.8Å; I135-M137 WeakPolarHBondContact O-CE 3.26Å; M137-A140 HydrophobicContact CE-CB 4.31Å; M137-A140 PolarHBondContact O-N 3.4Å; M137-A141 WeakPolarHBondContact O-CB 3.37Å; M137-A141 PolarHBondContact O-N 3.43Å
138S97.4Very high97.3Very high3 Ų329.4 Ų29.42%0.02116%0.155CC..Hα-helixtrans-67.4-36.6175.1-63.40000112.7S136 T142 E324S136-S138 VanDerWaalsContact C-N 3.25Å; S136-S138 PolarHBondContact O-N 2.86Å; S138-T142 WeakPolarHBondContact O-CG2 3.34Å; S138-T142 PolarHBondContact O-N 3.27Å; S138-T142 PolarHBondContact O-OG1 3.47Å; S138-E324 WeakPolarHBondContact CB-OE1 3.31Å; S138-E324 PolarHBondContact OG-OE1 3.15Å
139C97.6Very high97.4Very high10 Ų1029.1 Ų29.17%0.06816%0.155CC..Hα-helixtrans-67.4-46.1170.7-70.60000111.2I135 S136 A141 T142 L143 F312I135-C139 HydrophobicContact CB-CB 4.36Å; I135-C139 HydrophobicContact CD1-CB 4.17Å; S136-C139 PolarHBondContact O-N 3.41Å; S136-C139 WeakPolarHBondContact OG-CB 3.37Å; S136-C139 PolarHBondContact OG-N 2.97Å; S136-C139 PolarHBondContact OG-SG 3.4Å; C139-A141 VanDerWaalsContact C-N 3.3Å; C139-A141 PolarHBondContact O-N 3.06Å; C139-T142 PolarHBondContact O-N 3.06Å; C139-T142 PolarHBondContact O-OG1 3.39Å; C139-L143 PolarHBondContact O-N 3.23Å; C139-F312 HydrophobicContact CB-CD1 4.22Å; C139-F312 HydrophobicContact CB-CE1 4.27Å; C139-F312 HydrophobicContact CB-CG 4.43Å
140A98.2Very high97.5Very high1 Ų128.8 Ų28.81%0.00815%0.154CC..Hα-helixtrans-58.8-42.1177.400000112.1A88 T106 I131 I135 S136 M137 T142 L143A88-A140 HydrophobicContact CB-CB 3.61Å; T106-A140 HydrophobicContact CG2-CB 4.2Å; I131-A140 HydrophobicContact CG1-CB 4.32Å; I135-A140 HydrophobicContact CD1-CB 4Å; I135-A140 HydrophobicContact CG1-CB 4.15Å; S136-A140 PolarHBondContact O-N 3.49Å; M137-A140 HydrophobicContact CE-CB 4.31Å; M137-A140 PolarHBondContact O-N 3.4Å; A140-T142 PolarHBondContact O-N 3.29Å; A140-L143 WeakPolarHBondContact O-CB 3.25Å; A140-L143 PolarHBondContact O-N 3.3Å
141A98Very high97.5Very high1 Ų127.1 Ų27.11%0.00815%0.147CC..Hα-helixtrans-69.6-17.6-176.900000114.2A58 P60 E86 A88 M137 C139A58-A141 HydrophobicContact CB-CB 3.66Å; A58-A141 WeakPolarHBondContact O-CB 3.4Å; P60-A141 WeakPolarHBondContact CD-O 3.46Å; P60-A141 WeakPolarHBondContact CG-O 3.44Å; E86-A141 WeakPolarHBondContact CG-O 3.38Å; A88-A141 HydrophobicContact CB-CB 3.98Å; M137-A141 WeakPolarHBondContact O-CB 3.37Å; M137-A141 PolarHBondContact O-N 3.43Å; C139-A141 VanDerWaalsContact C-N 3.3Å; C139-A141 PolarHBondContact O-N 3.06Å
142T97.4Very high97.5Very high7 Ų727.2 Ų27.24%0.04315%0.147CC..Hα-helixtrans-108.60.7-178.355.90000113.6P60 S138 C139 A140 P147 K350 V352P60-T142 HydrophobicContact CB-CG2 3.85Å; P60-T142 HydrophobicContact CG-CG2 3.93Å; S138-T142 WeakPolarHBondContact O-CG2 3.34Å; S138-T142 PolarHBondContact O-N 3.27Å; S138-T142 PolarHBondContact O-OG1 3.47Å; C139-T142 PolarHBondContact O-N 3.06Å; C139-T142 PolarHBondContact O-OG1 3.39Å; A140-T142 PolarHBondContact O-N 3.29Å; T142-P147 WeakPolarHBondContact O-CD 3.31Å; T142-K350 HydrophobicContact CG2-CD 3.9Å; T142-V352 HydrophobicContact CG2-CG2 4.35Å
143L96.9Very high97.7Very high0 Ų021.1 Ų21.10%012%0.12CC..THydrogen-bonded Turntrans-69.6-35.9-171.1-160.473.7000113.2I131 C139 A140 I145 S148 V305 L308 F312I131-L143 HydrophobicContact CD1-CD2 3.68Å; C139-L143 PolarHBondContact O-N 3.23Å; A140-L143 WeakPolarHBondContact O-CB 3.25Å; A140-L143 PolarHBondContact O-N 3.3Å; L143-I145 PolarHBondContact O-N 3.37Å; L143-S148 PolarHBondContact O-OG 3.39Å; L143-V305 HydrophobicContact CD2-CB 4.31Å; L143-V305 HydrophobicContact CD2-CG1 3.8Å; L143-V305 HydrophobicContact CD2-CG2 4.38Å; L143-L308 HydrophobicContact CD1-CB 3.56Å; L143-L308 HydrophobicContact CD1-CD1 4.49Å; L143-L308 HydrophobicContact CG-CB 4.13Å; L143-L308 HydrophobicContact CG-CD1 4.46Å; L143-F312 HydrophobicContact CD1-CD2 3.66Å; L143-F312 HydrophobicContact CD1-CE2 3.56Å
144A96Very high97.7Very high13 Ų1317.2 Ų17.211%0.10711%0.105CC..THydrogen-bonded Turntrans-72.1-28.7-16600000113E86 I108 S148 L289E86-A144 HydrophobicContact CB-CB 4.08Å; E86-A144 PolarHBondContact OE2-N 3.25Å; I108-A144 HydrophobicContact CD1-CB 4.14Å; A144-S148 VanDerWaalsContact O-CB 3.29Å; A144-S148 WeakPolarHBondContact O-CB 3.45Å; A144-S148 PolarHBondContact O-OG 3.28Å; A144-L289 VanDerWaalsContact O-CD2 3.28Å; A144-L289 WeakPolarHBondContact O-CD2 3.27Å
145I97Very high97.8Very high24 Ų2415.9 Ų15.912%0.1239%0.092CC..THydrogen-bonded Turntrans-109.8-67.3-173.8-57.5-57.5000113N85 E86 L143 T149 L289N85-I145 WeakPolarHBondContact ND2-CD1 3.28Å; E86-I145 HydrophobicContact CB-CG1 3.97Å; E86-I145 HydrophobicContact CG-CG1 3.94Å; E86-I145 WeakPolarHBondContact OE2-CB 3.5Å; E86-I145 VanDerWaalsContact OE2-CG1 3.25Å; E86-I145 WeakPolarHBondContact OE2-CG1 3.43Å; E86-I145 PolarHBondContact OE2-N 3.35Å; L143-I145 PolarHBondContact O-N 3.37Å; I145-T149 WeakPolarHBondContact O-CB 3.42Å; I145-T149 PolarHBondContact O-N 3.04Å; I145-T149 PolarHBondContact O-OG1 3.38Å; I145-L289 HydrophobicContact CD1-CD2 4.01Å; I145-L289 WeakPolarHBondContact O-CD2 3.43Å
146N97.9Very high97.8Very high16 Ų1618.5 Ų18.59%0.08611%0.106CC..Hα-helixtrans-74.1-51.1-166.6-58.7-63.9000113.4N62 S148 T149 A150 A174 V175 Y178 K350N62-N146 PolarHBondContact OD1-ND2 3.01Å; N146-S148 VanDerWaalsContact C-N 3.33Å; N146-S148 PolarHBondContact O-N 3.35Å; N146-T149 PolarHBondContact O-N 2.95Å; N146-A150 PolarHBondContact O-N 3.48Å; N146-A174 HydrophobicContact CB-CB 3.92Å; N146-V175 HydrophobicContact CB-CG2 4.03Å; N146-V175 WeakPolarHBondContact OD1-CG2 3.34Å; N146-Y178 HydrophobicContact CB-CD2 4.05Å; N146-Y178 HydrophobicContact CB-CE2 4.13Å; N146-K350 WeakPolarHBondContact ND2-CE 3.18Å; N146-K350 PolarHBondContact ND2-NZ 3.15Å
147P98.4Very high97.8Very high0 Ų017.4 Ų17.40%09%0.094CC..Hα-helixtrans-63-39.6174.4-19.231.8000112.2T142 T149 A150 L151 Y178 L308 F312T142-P147 WeakPolarHBondContact O-CD 3.31Å; P147-T149 PolarHBondContact O-N 2.92Å; P147-A150 PolarHBondContact O-N 3.32Å; P147-L151 PolarHBondContact O-N 3.21Å; P147-Y178 HydrophobicContact CB-CD1 4.27Å; P147-Y178 HydrophobicContact CB-CD2 4.17Å; P147-Y178 HydrophobicContact CB-CE2 4.46Å; P147-Y178 HydrophobicContact CB-CG 4.1Å; P147-Y178 HydrophobicContact CG-CD1 4.17Å; P147-Y178 HydrophobicContact CG-CD2 3.7Å; P147-Y178 HydrophobicContact CG-CE1 4.02Å; P147-Y178 HydrophobicContact CG-CE2 3.54Å; P147-Y178 HydrophobicContact CG-CG 4.04Å; P147-L308 HydrophobicContact CB-CD1 3.99Å; P147-L308 HydrophobicContact CB-CD2 3.87Å; P147-L308 HydrophobicContact CB-CG 4.45Å; P147-F312 HydrophobicContact CG-CE2 4.32Å
148S98.2Very high97.8Very high5 Ų516.3 Ų16.34%0.0359%0.09CC..Hα-helixtrans-63.4-39.9177.2-66.90000112.3L143 A144 N146 H152 L308L143-S148 PolarHBondContact O-OG 3.39Å; A144-S148 VanDerWaalsContact O-CB 3.29Å; A144-S148 WeakPolarHBondContact O-CB 3.45Å; A144-S148 PolarHBondContact O-OG 3.28Å; N146-S148 VanDerWaalsContact C-N 3.33Å; N146-S148 PolarHBondContact O-N 3.35Å; S148-H152 PolarHBondContact O-CD2 3.04Å; S148-H152 PolarHBondContact O-N 3.28Å; S148-H152 VanDerWaalsContact O-N 3.13Å; S148-L308 WeakPolarHBondContact OG-CD1 3.38Å
149T98.6Very high97.8Very high12 Ų1223.8 Ų23.87%0.07412%0.124CC..Hα-helixtrans-62.7-48.5174-64.70000110.4I145 N146 P147 L151 H152 L153 V175 Y262 F287 L289I145-T149 WeakPolarHBondContact O-CB 3.42Å; I145-T149 PolarHBondContact O-N 3.04Å; I145-T149 PolarHBondContact O-OG1 3.38Å; N146-T149 PolarHBondContact O-N 2.95Å; P147-T149 PolarHBondContact O-N 2.92Å; T149-L151 PolarHBondContact O-N 2.77Å; T149-H152 PolarHBondContact O-N 3.49Å; T149-L153 HydrophobicContact CG2-CD1 3.87Å; T149-L153 HydrophobicContact CG2-CG 4.23Å; T149-L153 WeakPolarHBondContact O-CB 3.44Å; T149-L153 VanDerWaalsContact O-CG 3.25Å; T149-L153 WeakPolarHBondContact O-CG 3.45Å; T149-L153 PolarHBondContact O-N 3.39Å; T149-V175 HydrophobicContact CG2-CG1 3.81Å; T149-V175 HydrophobicContact CG2-CG2 4.1Å; T149-Y262 HydrophobicContact CG2-CD2 4.05Å; T149-Y262 HydrophobicContact CG2-CG 4.45Å; T149-F287 HydrophobicContact CG2-CD1 4.23Å; T149-F287 HydrophobicContact CG2-CE1 3.99Å; T149-L289 WeakPolarHBondContact OG1-CD2 3.36Å
150A98.8Very high97.8Very high0 Ų023.7 Ų23.70%012%0.123CC..Hα-helixtrans-58-45.817900000112.5N146 P147 H152 L153 L154 V175 V179 I182N146-A150 PolarHBondContact O-N 3.48Å; P147-A150 PolarHBondContact O-N 3.32Å; A150-H152 PolarHBondContact O-N 3.08Å; A150-L153 PolarHBondContact O-N 3.14Å; A150-L154 WeakPolarHBondContact O-CG 3.37Å; A150-L154 PolarHBondContact O-N 3.01Å; A150-V175 HydrophobicContact CB-CG1 4.22Å; A150-V179 HydrophobicContact CB-CG2 3.75Å; A150-I182 HydrophobicContact CB-CD1 3.94Å
151L98.6Very high97.7Very high10 Ų1028.5 Ų28.55%0.05215%0.145CC..Hα-helixtrans-60.8-45.8178.3-177.556.5000112.1P147 T149 L154 N155 I182 T304 L308 W311P147-L151 PolarHBondContact O-N 3.21Å; T149-L151 PolarHBondContact O-N 2.77Å; L151-L154 PolarHBondContact O-N 2.85Å; L151-N155 VanDerWaalsContact CD1-ND2 3.33Å; L151-N155 WeakPolarHBondContact CD1-ND2 3.32Å; L151-N155 WeakPolarHBondContact O-CB 3.42Å; L151-N155 PolarHBondContact O-N 2.96Å; L151-N155 VanDerWaalsContact O-N 3.08Å; L151-I182 HydrophobicContact CB-CD1 4.09Å; L151-I182 HydrophobicContact CD1-CG2 4Å; L151-T304 HydrophobicContact CD2-CG2 4.05Å; L151-L308 HydrophobicContact CB-CD2 4.41Å; L151-L308 HydrophobicContact CD2-CD1 4.48Å; L151-L308 HydrophobicContact CD2-CD2 4.13Å; L151-L308 HydrophobicContact CD2-CG 4.12Å; L151-W311 HydrophobicContact CD1-CH2 4Å; L151-W311 HydrophobicContact CD1-CZ3 4.02Å
152H98.3Very high97.7Very high14 Ų1437.2 Ų37.27%0.06518%0.183CC..Hα-helixtrans-71.4-30.8179.8-71.4-48.1000113.5S148 T149 A150 L154 N155 N156 F287 F292S148-H152 PolarHBondContact O-CD2 3.04Å; S148-H152 PolarHBondContact O-N 3.28Å; S148-H152 VanDerWaalsContact O-N 3.13Å; T149-H152 PolarHBondContact O-N 3.49Å; A150-H152 PolarHBondContact O-N 3.08Å; H152-L154 VanDerWaalsContact C-N 3.27Å; H152-L154 PolarHBondContact O-N 3.04Å; H152-N155 PolarHBondContact O-N 3.41Å; H152-N156 PolarHBondContact ND1-ND2 3.1Å; H152-N156 VanDerWaalsContact O-CB 3.31Å; H152-N156 WeakPolarHBondContact O-CB 3.47Å; H152-N156 PolarHBondContact O-N 2.88Å; H152-N156 VanDerWaalsContact O-N 3.12Å; H152-F287 HydrophobicContact CB-CE1 4.01Å; H152-F287 HydrophobicContact CB-CE2 4.34Å; H152-F287 HydrophobicContact CB-CZ 3.51Å; H152-F292 AromaticContact CD2-CE1 3.83Å; H152-F292 AromaticContact CE1-CE1 3.47Å; H152-F292 VanDerWaalsContact CE1-CE1 3.47Å; H152-F292 WeakPolarHBondContact CE1-CE1 3.15Å; H152-F292 AromaticContact CE1-CZ 3.97Å; H152-F292 AromaticContact CG-CE1 3.95Å; H152-F292 AromaticContact ND1-CE1 3.73Å; H152-F292 AromaticContact ND1-CZ 3.92Å; H152-F292 AromaticContact NE2-CE1 3.5Å; H152-F292 WeakPolarHBondContact NE2-CE1 3.38Å
153L98.8Very high97.7Very high0 Ų038.7 Ų38.70%020%0.2CC..Hα-helixtrans-62.1-36.7172.8-75.2174.5000112T149 A150 F157 V175 L238 V260 Y262 F287T149-L153 HydrophobicContact CG2-CD1 3.87Å; T149-L153 HydrophobicContact CG2-CG 4.23Å; T149-L153 WeakPolarHBondContact O-CB 3.44Å; T149-L153 VanDerWaalsContact O-CG 3.25Å; T149-L153 WeakPolarHBondContact O-CG 3.45Å; T149-L153 PolarHBondContact O-N 3.39Å; A150-L153 PolarHBondContact O-N 3.14Å; L153-F157 HydrophobicContact CD2-CE2 4.16Å; L153-V175 HydrophobicContact CD1-CG1 3.98Å; L153-L238 HydrophobicContact CB-CD1 4.2Å; L153-L238 HydrophobicContact CB-CD2 4.01Å; L153-L238 HydrophobicContact CD1-CD1 4.3Å; L153-L238 HydrophobicContact CD1-CD2 4.39Å; L153-L238 HydrophobicContact CD2-CD2 4.1Å; L153-L238 HydrophobicContact CG-CD2 4.39Å; L153-V260 HydrophobicContact CD2-CB 4.08Å; L153-V260 HydrophobicContact CD2-CG1 3.45Å; L153-V260 VanDerWaalsContact CD2-CG1 3.45Å; L153-Y262 HydrophobicContact CD1-CD1 3.46Å; L153-Y262 VanDerWaalsContact CD1-CD1 3.46Å; L153-Y262 HydrophobicContact CD1-CD2 4.29Å; L153-Y262 HydrophobicContact CD1-CE1 3.69Å; L153-Y262 HydrophobicContact CD1-CE2 4.49Å; L153-Y262 HydrophobicContact CD1-CG 3.76Å; L153-Y262 HydrophobicContact CD2-CD1 4.2Å; L153-Y262 HydrophobicContact CD2-CG 4.42Å; L153-Y262 HydrophobicContact CG-CD1 4.48Å; L153-F287 HydrophobicContact CD2-CB 4.06Å; L153-F287 HydrophobicContact CD2-CD1 3.53Å; L153-F287 HydrophobicContact CD2-CE1 4.3Å; L153-F287 HydrophobicContact CD2-CG 4.06Å; L153-F287 HydrophobicContact CG-CD1 3.95Å; L153-F287 HydrophobicContact CG-CE1 4.28Å
154L98.7Very high97.7Very high1 Ų140.2 Ų40.21%0.00521%0.208CC..Hα-helixtrans-80-32179.7-67.9171000113A150 L151 H152 L166 V179 I182 A183 L186 Y188 L236A150-L154 WeakPolarHBondContact O-CG 3.37Å; A150-L154 PolarHBondContact O-N 3.01Å; L151-L154 PolarHBondContact O-N 2.85Å; H152-L154 VanDerWaalsContact C-N 3.27Å; H152-L154 PolarHBondContact O-N 3.04Å; L154-L166 HydrophobicContact CD2-CD1 4.08Å; L154-L166 HydrophobicContact CD2-CD2 3.71Å; L154-V179 HydrophobicContact CD2-CG1 4.41Å; L154-I182 HydrophobicContact CD1-CB 3.73Å; L154-I182 HydrophobicContact CD1-CG2 3.53Å; L154-A183 HydrophobicContact CD1-CB 4.29Å; L154-L186 HydrophobicContact CB-CD1 4.27Å; L154-L186 HydrophobicContact CD1-CD1 4.39Å; L154-Y188 HydrophobicContact CD2-CD2 4.38Å; L154-L236 HydrophobicContact CD2-CD2 4.45Å
155N97.3Very high97.8Very high83 Ų8340.6 Ų40.644%0.44421%0.208SC..Hα-helixtrans-96.9-22.6-171.3-70.7-4000115.5L151 H152L151-N155 VanDerWaalsContact CD1-ND2 3.33Å; L151-N155 WeakPolarHBondContact CD1-ND2 3.32Å; L151-N155 WeakPolarHBondContact O-CB 3.42Å; L151-N155 PolarHBondContact O-N 2.96Å; L151-N155 VanDerWaalsContact O-N 3.08Å; H152-N155 PolarHBondContact O-N 3.41Å
156N96.9Very high97.9Very high77 Ų7739.5 Ų39.541%0.41220%0.202SC..SBendtrans-113.74.1-161.6-64-8.5000115.6H152 F292H152-N156 PolarHBondContact ND1-ND2 3.1Å; H152-N156 VanDerWaalsContact O-CB 3.31Å; H152-N156 WeakPolarHBondContact O-CB 3.47Å; H152-N156 PolarHBondContact O-N 2.88Å; H152-N156 VanDerWaalsContact O-N 3.12Å; N156-F292 VanDerWaalsContact ND2-CE2 3.32Å; N156-F292 WeakPolarHBondContact ND2-CE2 3.03Å; N156-F292 WeakPolarHBondContact ND2-CZ 3.31Å
157F97.8Very high97.9Very high40 Ų4038.7 Ų38.718%0.17520%0.198CC..SBendtrans-123.1-46.1-172.3-69.4-85.3000113.9L153 L236 V260 R285 F287L153-F157 HydrophobicContact CD2-CE2 4.16Å; F157-L236 HydrophobicContact CB-CD1 4.41Å; F157-V260 HydrophobicContact CB-CG2 3.72Å; F157-V260 HydrophobicContact CD1-CB 4.49Å; F157-V260 HydrophobicContact CD1-CG1 4.11Å; F157-V260 HydrophobicContact CD1-CG2 3.52Å; F157-V260 HydrophobicContact CD2-CG1 4.2Å; F157-V260 HydrophobicContact CD2-CG2 3.94Å; F157-V260 HydrophobicContact CE1-CG1 3.81Å; F157-V260 HydrophobicContact CE1-CG2 4.1Å; F157-V260 HydrophobicContact CE2-CG1 3.92Å; F157-V260 HydrophobicContact CE2-CG2 4.47Å; F157-V260 HydrophobicContact CG-CG1 4.3Å; F157-V260 HydrophobicContact CG-CG2 3.43Å; F157-V260 VanDerWaalsContact CG-CG2 3.43Å; F157-V260 HydrophobicContact CZ-CG1 3.72Å; F157-R285 HydrophobicContact CD1-CB 4.12Å; F157-R285 HydrophobicContact CD1-CG 4.4Å; F157-R285 HydrophobicContact CE1-CB 4Å; F157-F287 HydrophobicContact CE2-CB 4.16Å; F157-F287 HydrophobicContact CE2-CD1 4.5Å; F157-F287 AromaticContact CE2-CD2 3.88Å; F157-F287 HydrophobicContact CE2-CD2 3.88Å; F157-F287 HydrophobicContact CE2-CE2 4.4Å; F157-F287 AromaticContact CE2-CG 3.92Å; F157-F287 HydrophobicContact CE2-CG 3.92Å; F157-F287 HydrophobicContact CZ-CB 3.62Å; F157-F287 AromaticContact CZ-CD2 3.53Å; F157-F287 HydrophobicContact CZ-CD2 3.53Å; F157-F287 HydrophobicContact CZ-CE2 4.38Å; F157-F287 AromaticContact CZ-CG 3.7Å; F157-F287 HydrophobicContact CZ-CG 3.7Å
158V97.7Very high97.9Very high26 Ų2638.7 Ų38.716%0.15820%0.198CC..SBendtrans-137.5130-178.9175.90000107.3L160 K235 L236V158-L160 HydrophobicContact CG1-CD2 3.87Å; V158-L160 HydrophobicContact CG1-CG 4.32Å; V158-L160 PolarHBondContact O-N 2.9Å; V158-L160 VanDerWaalsContact O-N 3.13Å; V158-K235 HydrophobicContact CG1-CB 3.81Å; V158-L236 HydrophobicContact CB-CB 4.27Å; V158-L236 HydrophobicContact CB-CD1 4.43Å; V158-L236 HydrophobicContact CG2-CB 4.28Å; V158-L236 HydrophobicContact CG2-CD1 3.98Å
159E96.7Very high97.9Very high159 Ų15938.5 Ų38.574%0.74320%0.196SC*.  trans-75.1100.9173-170.4-178.3164.700109.5Q161E159-Q161 PolarHBondContact OE1-NE2 3.13Å
160L97.4Very high97.7Very high9 Ų938.5 Ų38.55%0.04720%0.199CC..PPolyproline II helixtrans-91.1138.5177.2-64.4176.7000110.8V158 D164 L166 Y188 K235 L236V158-L160 HydrophobicContact CG1-CD2 3.87Å; V158-L160 HydrophobicContact CG1-CG 4.32Å; V158-L160 PolarHBondContact O-N 2.9Å; V158-L160 VanDerWaalsContact O-N 3.13Å; L160-D164 HydrophobicContact CB-CB 4.29Å; L160-D164 HydrophobicContact CD2-CB 4.01Å; L160-L166 HydrophobicContact CD1-CB 4.36Å; L160-L166 HydrophobicContact CD1-CD2 3.92Å; L160-Y188 HydrophobicContact CB-CD1 3.98Å; L160-Y188 HydrophobicContact CB-CD2 4.33Å; L160-Y188 HydrophobicContact CB-CE1 3.58Å; L160-Y188 HydrophobicContact CB-CE2 3.94Å; L160-Y188 HydrophobicContact CB-CG 4.35Å; L160-Y188 HydrophobicContact CD1-CD2 3.92Å; L160-Y188 HydrophobicContact CD1-CE2 4.03Å; L160-Y188 HydrophobicContact CD1-CG 4.29Å; L160-Y188 WeakPolarHBondContact O-CE1 3.31Å; L160-Y188 PolarHBondContact O-OH 3.11Å; L160-Y188 VanDerWaalsContact O-OH 3.07Å; L160-K235 HydrophobicContact CD2-CB 4.01Å; L160-K235 HydrophobicContact CD2-CD 4.36Å; L160-L236 HydrophobicContact CD1-CB 4.33Å; L160-L236 HydrophobicContact CD1-CD2 3.93Å; L160-L236 HydrophobicContact CD2-CB 4.31Å
161Q97.2Very high97.7Very high102 Ų10238.5 Ų38.548%0.47720%0.199SC..PPolyproline II helixtrans-94.5156.8173.8-56.5-59.2-49.800110.5E159 G163 D164 Y188E159-Q161 PolarHBondContact OE1-NE2 3.13Å; Q161-G163 PolarHBondContact O-N 2.8Å; Q161-D164 PolarHBondContact N-OD2 2.83Å; Q161-D164 WeakPolarHBondContact O-CB 3.46Å; Q161-D164 PolarHBondContact O-N 2.77Å; Q161-Y188 WeakPolarHBondContact O-CD1 3.08Å
162K97.7Very high97.6Very high183 Ų18340.6 Ų40.680%0.79621%0.212SC*.THydrogen-bonded Turntrans-54.2130.3173.1-177.6176.1-179.6179.40109.9
163G97Very high97.4Very high38 Ų3841.7 Ų41.739%0.39222%0.222SC..THydrogen-bonded Turntrans91.1-17.3-175.700000114.8Q161 G187 N189Q161-G163 PolarHBondContact O-N 2.8Å; G163-G187 PolarHBondContact N-O 2.87Å; G163-N189 PolarHBondContact O-ND2 3.29Å
164D97.5Very high97.3Very high32 Ų3242.6 Ų42.617%0.17123%0.229CC..  trans-58150.8174.4-81.5-19.8000110.9L160 Q161 N189 K235L160-D164 HydrophobicContact CB-CB 4.29Å; L160-D164 HydrophobicContact CD2-CB 4.01Å; Q161-D164 PolarHBondContact N-OD2 2.83Å; Q161-D164 WeakPolarHBondContact O-CB 3.46Å; Q161-D164 PolarHBondContact O-N 2.77Å; D164-N189 PolarHBondContact O-N 3.2Å; D164-K235 VanDerWaalsContact CG-NZ 3.31Å; D164-K235 IonicContact OD1-NZ 2.64Å; D164-K235 PolarHBondContact OD1-NZ 3.02Å; D164-K235 VanDerWaalsContact OD1-NZ 3.08Å; D164-K235 IonicContact OD2-NZ 2.64Å; D164-K235 PolarHBondContact OD2-NZ 2.77Å
165I97.7Very high97.3Very high22 Ų2243 Ų4311%0.11323%0.232CC..EExtended strand (participates in β ladder)trans-110.4126.6-177-44.3174.1000109.2N189 V191 W217 F234I165-N189 WeakPolarHBondContact CA-O 3.41Å; I165-N189 HydrophobicContact CB-CB 4.38Å; I165-N189 HydrophobicContact CG1-CB 3.98Å; I165-N189 HydrophobicContact CG2-CB 4.22Å; I165-V191 HydrophobicContact CG2-CG2 3.98Å; I165-W217 HydrophobicContact CD1-CH2 3.9Å; I165-W217 HydrophobicContact CD1-CZ3 3.96Å; I165-W217 HydrophobicContact CG1-CZ3 4.23Å; I165-W217 HydrophobicContact CG2-CE3 4.33Å; I165-W217 HydrophobicContact CG2-CZ3 3.77Å; I165-F234 HydrophobicContact CB-CD1 4.16Å; I165-F234 HydrophobicContact CB-CE1 4.26Å; I165-F234 HydrophobicContact CG2-CD1 3.82Å; I165-F234 HydrophobicContact CG2-CE1 3.55Å
166L98.4Very high97.3Very high0 Ų039.1 Ų39.10%021%0.21CC..EExtended strand (participates in β ladder)trans-108.7155.2166.368.5121.8000110.8L154 L160 V179 A183 Y188 N189 T190 V191 L236 L238L154-L166 HydrophobicContact CD2-CD1 4.08Å; L154-L166 HydrophobicContact CD2-CD2 3.71Å; L160-L166 HydrophobicContact CD1-CB 4.36Å; L160-L166 HydrophobicContact CD1-CD2 3.92Å; L166-V179 HydrophobicContact CD1-CG1 3.83Å; L166-A183 HydrophobicContact CD2-CB 4.13Å; L166-Y188 HydrophobicContact CD2-CD2 4.24Å; L166-Y188 HydrophobicContact CD2-CG 4.5Å; L166-N189 PolarHBondContact N-O 3.44Å; L166-T190 HydrophobicContact CD1-CG2 4.24Å; L166-T190 HydrophobicContact CD2-CG2 4.01Å; L166-T190 HydrophobicContact CG-CG2 3.99Å; L166-T190 WeakPolarHBondContact O-CA 3.48Å; L166-V191 PolarHBondContact O-N 3.42Å; L166-L236 WeakPolarHBondContact CA-O 3.42Å; L166-L236 HydrophobicContact CB-CB 4.09Å; L166-L236 HydrophobicContact CB-CD2 4.45Å; L166-L236 HydrophobicContact CB-CG 4.43Å; L166-L236 WeakPolarHBondContact CB-O 3.44Å; L166-L238 HydrophobicContact CD1-CD1 3.87Å; L166-L238 HydrophobicContact CD1-CG 4.32Å
167I98.5Very high97.4Very high0 Ų035.5 Ų35.50%019%0.191CC..EExtended strand (participates in β ladder)trans-117.8141.5176.5-172.8168.2000110.6V191 L193 Y224 F234 L236 A237 L238 L249I167-V191 CarbonylContact C-O 3.32Å; I167-V191 WeakPolarHBondContact CA-O 3.38Å; I167-V191 HydrophobicContact CB-CB 4.16Å; I167-V191 HydrophobicContact CD1-CB 4.33Å; I167-V191 HydrophobicContact CD1-CG1 3.91Å; I167-V191 HydrophobicContact CG1-CB 3.9Å; I167-V191 HydrophobicContact CG1-CG1 3.86Å; I167-L193 HydrophobicContact CD1-CD1 4.13Å; I167-L193 HydrophobicContact CD1-CG 4.43Å; I167-L193 HydrophobicContact CG1-CD1 4.44Å; I167-L193 HydrophobicContact CG1-CG 4.42Å; I167-Y224 HydrophobicContact CD1-CD2 4.45Å; I167-Y224 HydrophobicContact CD1-CE1 4.08Å; I167-Y224 HydrophobicContact CD1-CE2 3.68Å; I167-Y224 VanDerWaalsContact CD1-CZ 3.45Å; I167-Y224 WeakPolarHBondContact CD1-OH 3.36Å; I167-F234 HydrophobicContact CB-CD1 3.84Å; I167-F234 HydrophobicContact CB-CD2 4.46Å; I167-F234 HydrophobicContact CB-CE1 4.03Å; I167-F234 HydrophobicContact CB-CG 4.06Å; I167-F234 HydrophobicContact CB-CZ 4.45Å; I167-F234 HydrophobicContact CD1-CE2 4.28Å; I167-F234 HydrophobicContact CD1-CZ 4.28Å; I167-F234 HydrophobicContact CG2-CB 4.01Å; I167-F234 HydrophobicContact CG2-CD1 4.11Å; I167-F234 HydrophobicContact CG2-CD2 4.19Å; I167-F234 HydrophobicContact CG2-CG 3.83Å; I167-L236 PolarHBondContact N-O 3.42Å; I167-L236 VanDerWaalsContact N-O 3.1Å; I167-A237 HydrophobicContact CG2-CB 3.65Å; I167-A237 CarbonylContact O-C 3.49Å; I167-A237 WeakPolarHBondContact O-CA 3.43Å; I167-L238 PolarHBondContact O-N 2.94Å; I167-L249 HydrophobicContact CB-CD2 4.42Å; I167-L249 HydrophobicContact CD1-CD2 3.92Å; I167-L249 HydrophobicContact CG1-CD2 3.69Å; I167-L249 HydrophobicContact CG2-CD2 4.05Å
168Q98.6Very high97.5Very high0 Ų033.6 Ų33.60%018%0.183CC..EExtended strand (participates in β ladder)trans-137.9149.9175.264.9172.5-37.900112.4A171 G176 V191 N192 L193 L238Q168-A171 HydrophobicContact CG-CB 4.43Å; Q168-G176 PolarHBondContact NE2-O 2.96Å; Q168-V191 PolarHBondContact N-O 3.44Å; Q168-N192 PolarHBondContact NE2-OD1 3.46Å; Q168-L193 WeakPolarHBondContact O-CB 3.43Å; Q168-L193 PolarHBondContact O-N 3.36Å; Q168-L238 VanDerWaalsContact CA-O 3.31Å; Q168-L238 WeakPolarHBondContact CA-O 2.97Å; Q168-L238 HydrophobicContact CB-CB 3.9Å
169N97.4Very high97.5Very high0 Ų032.4 Ų32.40%018%0.175CC..EExtended strand (participates in β ladder)trans-105.3159.2165.871.220000111.8A171 L193 L238 N239 C240 L241 L249N169-A171 VanDerWaalsContact C-N 3.34Å; N169-L193 HydrophobicContact CB-CB 4.48Å; N169-L238 PolarHBondContact N-O 3.08Å; N169-L238 VanDerWaalsContact N-O 3.1Å; N169-N239 PolarHBondContact ND2-OD1 2.88Å; N169-N239 WeakPolarHBondContact OD1-CA 3.36Å; N169-N239 PolarHBondContact OD1-OD1 3.31Å; N169-C240 PolarHBondContact O-SG 2.88Å; N169-C240 PolarHBondContact OD1-N 3.16Å; N169-L241 HydrophobicContact CB-CD1 3.99Å; N169-L241 HydrophobicContact CB-CG 4.4Å; N169-L241 PolarHBondContact OD1-N 3.22Å; N169-L249 HydrophobicContact CB-CD1 4.24Å; N169-L249 HydrophobicContact CB-CD2 4.46Å; N169-L249 WeakPolarHBondContact ND2-CD1 3.22Å
170G95.5Very high97.6Very high12 Ų1224.8 Ų24.812%0.12414%0.14CC..  trans61.543.1-174.600000112.3T172 S173 L193G170-T172 PolarHBondContact O-N 3.31Å; G170-T172 VanDerWaalsContact O-N 3.1Å; G170-S173 VanDerWaalsContact O-CB 3.23Å; G170-S173 WeakPolarHBondContact O-CB 3.48Å; G170-S173 PolarHBondContact O-N 2.95Å; G170-S173 PolarHBondContact O-OG 3.45Å; G170-L193 PolarHBondContact N-O 3.31Å; G170-L193 VanDerWaalsContact N-O 3.14Å
171A97.6Very high97.7Very high0 Ų024.8 Ų24.80%014%0.14CC..THydrogen-bonded Turntrans-59.1-22.2-177.100000114.2Q168 N169 S173 G176 I177 N192 L193 L210Q168-A171 HydrophobicContact CG-CB 4.43Å; N169-A171 VanDerWaalsContact C-N 3.34Å; A171-S173 VanDerWaalsContact C-N 3.28Å; A171-S173 PolarHBondContact O-N 3.25Å; A171-G176 CarbonylContact O-C 3.23Å; A171-I177 PolarHBondContact O-N 3.36Å; A171-N192 HydrophobicContact CB-CB 3.67Å; A171-L193 WeakPolarHBondContact CB-O 3.33Å; A171-L193 PolarHBondContact N-O 2.95Å; A171-L210 HydrophobicContact CB-CD1 3.93Å; A171-L210 HydrophobicContact CB-CD2 4.21Å; A171-L210 WeakPolarHBondContact O-CD2 3.4Å
172T96Very high97.8Very high54 Ų5420 Ų2033%0.33112%0.117SC..THydrogen-bonded Turntrans-82.1-1.5175.359.70000113.9G170 F194 T206 L210G170-T172 PolarHBondContact O-N 3.31Å; G170-T172 VanDerWaalsContact O-N 3.1Å; T172-F194 HydrophobicContact CG2-CB 4.03Å; T172-T206 HydrophobicContact CG2-CG2 3.53Å; T172-L210 HydrophobicContact CG2-CD1 4.3Å; T172-L210 HydrophobicContact CG2-CD2 4.18Å; T172-L210 HydrophobicContact CG2-CG 4.47Å
173S95.4Very high97.8Very high38 Ų3811.2 Ų11.227%0.2668%0.079SC..SBendtrans-68.7155.717168.20000110.6G170 A171 V175 G176 I177G170-S173 VanDerWaalsContact O-CB 3.23Å; G170-S173 WeakPolarHBondContact O-CB 3.48Å; G170-S173 PolarHBondContact O-N 2.95Å; G170-S173 PolarHBondContact O-OG 3.45Å; A171-S173 VanDerWaalsContact C-N 3.28Å; A171-S173 PolarHBondContact O-N 3.25Å; S173-V175 VanDerWaalsContact C-N 3.26Å; S173-V175 PolarHBondContact O-N 2.93Å; S173-G176 PolarHBondContact O-N 3.13Å; S173-G176 PolarHBondContact OG-N 2.7Å; S173-I177 WeakPolarHBondContact O-CG1 3.21Å; S173-I177 PolarHBondContact O-N 2.86Å
174A96.4Very high97.9Very high18 Ų1815.9 Ų15.915%0.1499%0.088CC..Hα-helixtrans-55.1-43.817700000111.8N146 I177 Y178N146-A174 HydrophobicContact CB-CB 3.92Å; A174-I177 PolarHBondContact O-N 3.1Å; A174-Y178 WeakPolarHBondContact O-CD2 3.41Å; A174-Y178 PolarHBondContact O-N 3.41Å
175V98.3Very high97.9Very high11 Ų1117.1 Ų17.17%0.0679%0.094CC..Hα-helixtrans-61.2-46.6174.5179.90000111N146 T149 A150 L153 S173 I177 Y178 V179 Y262N146-V175 HydrophobicContact CB-CG2 4.03Å; N146-V175 WeakPolarHBondContact OD1-CG2 3.34Å; T149-V175 HydrophobicContact CG2-CG1 3.81Å; T149-V175 HydrophobicContact CG2-CG2 4.1Å; A150-V175 HydrophobicContact CB-CG1 4.22Å; L153-V175 HydrophobicContact CD1-CG1 3.98Å; S173-V175 VanDerWaalsContact C-N 3.26Å; S173-V175 PolarHBondContact O-N 2.93Å; V175-I177 VanDerWaalsContact C-N 3.33Å; V175-I177 PolarHBondContact O-N 2.95Å; V175-Y178 CarbonylContact O-C 3.5Å; V175-Y178 PolarHBondContact O-N 2.71Å; V175-Y178 VanDerWaalsContact O-N 3.11Å; V175-V179 HydrophobicContact CG1-CG2 4.22Å; V175-V179 WeakPolarHBondContact O-CG2 3.41Å; V175-V179 PolarHBondContact O-N 2.95Å; V175-Y262 HydrophobicContact CB-CE2 3.64Å; V175-Y262 HydrophobicContact CG1-CD2 4.22Å; V175-Y262 HydrophobicContact CG1-CE1 4.45Å; V175-Y262 HydrophobicContact CG1-CE2 3.47Å; V175-Y262 VanDerWaalsContact CG1-CE2 3.47Å; V175-Y262 HydrophobicContact CG2-CE2 3.88Å
176G98.3Very high98Very high0 Ų018.7 Ų18.70%010%0.103CC..Hα-helixtrans-61.4-38.2-178.800000113.9Q168 A171 S173 V179 I180Q168-G176 PolarHBondContact NE2-O 2.96Å; A171-G176 CarbonylContact O-C 3.23Å; S173-G176 PolarHBondContact O-N 3.13Å; S173-G176 PolarHBondContact OG-N 2.7Å; G176-V179 WeakPolarHBondContact O-CB 3.35Å; G176-V179 PolarHBondContact O-N 3.3Å; G176-I180 WeakPolarHBondContact O-CG1 3.41Å; G176-I180 PolarHBondContact O-N 2.99Å; G176-I180 VanDerWaalsContact O-N 3.08Å
177I98.5Very high97.9Very high1 Ų119.7 Ų19.71%0.00511%0.114CC..Hα-helixtrans-62.6-42.9172.8-63.7-62.1000111.3A171 S173 A174 V175 I180 Q181 L210 Y213A171-I177 PolarHBondContact O-N 3.36Å; S173-I177 WeakPolarHBondContact O-CG1 3.21Å; S173-I177 PolarHBondContact O-N 2.86Å; A174-I177 PolarHBondContact O-N 3.1Å; V175-I177 VanDerWaalsContact C-N 3.33Å; V175-I177 PolarHBondContact O-N 2.95Å; I177-I180 PolarHBondContact O-N 3.13Å; I177-Q181 WeakPolarHBondContact O-CG 3.21Å; I177-Q181 PolarHBondContact O-N 2.92Å; I177-Q181 PolarHBondContact O-NE2 3.18Å; I177-L210 HydrophobicContact CD1-CD2 3.4Å; I177-L210 VanDerWaalsContact CD1-CD2 3.4Å; I177-Y213 HydrophobicContact CD1-CD2 3.8Å; I177-Y213 HydrophobicContact CD1-CE2 3.96Å; I177-Y213 HydrophobicContact CG2-CD1 3.95Å; I177-Y213 HydrophobicContact CG2-CD2 3.83Å; I177-Y213 HydrophobicContact CG2-CE1 3.9Å; I177-Y213 HydrophobicContact CG2-CE2 3.78Å; I177-Y213 HydrophobicContact CG2-CG 3.9Å
178Y98.8Very high98Very high1 Ų121.2 Ų21.20%0.00412%0.12CC..Hα-helixtrans-71.8-32176.2-67.8-60.7000112.9N146 P147 A174 V175 I180 Q181 I182 F312 K318 P319 S320N146-Y178 HydrophobicContact CB-CD2 4.05Å; N146-Y178 HydrophobicContact CB-CE2 4.13Å; P147-Y178 HydrophobicContact CB-CD1 4.27Å; P147-Y178 HydrophobicContact CB-CD2 4.17Å; P147-Y178 HydrophobicContact CB-CE2 4.46Å; P147-Y178 HydrophobicContact CB-CG 4.1Å; P147-Y178 HydrophobicContact CG-CD1 4.17Å; P147-Y178 HydrophobicContact CG-CD2 3.7Å; P147-Y178 HydrophobicContact CG-CE1 4.02Å; P147-Y178 HydrophobicContact CG-CE2 3.54Å; P147-Y178 HydrophobicContact CG-CG 4.04Å; A174-Y178 WeakPolarHBondContact O-CD2 3.41Å; A174-Y178 PolarHBondContact O-N 3.41Å; V175-Y178 CarbonylContact O-C 3.5Å; V175-Y178 PolarHBondContact O-N 2.71Å; V175-Y178 VanDerWaalsContact O-N 3.11Å; Y178-I180 VanDerWaalsContact C-N 3.32Å; Y178-I180 PolarHBondContact O-N 3.18Å; Y178-Q181 PolarHBondContact O-N 3.2Å; Y178-I182 WeakPolarHBondContact O-CB 3.45Å; Y178-I182 VanDerWaalsContact O-CG1 3.22Å; Y178-I182 WeakPolarHBondContact O-CG1 3.46Å; Y178-I182 PolarHBondContact O-N 3.49Å; Y178-F312 HydrophobicContact CE1-CE1 4.27Å; Y178-F312 HydrophobicContact CE1-CE2 4.45Å; Y178-F312 AromaticContact CE1-CZ 3.59Å; Y178-F312 HydrophobicContact CE1-CZ 3.59Å; Y178-F312 AromaticContact CZ-CZ 3.96Å; Y178-K318 WeakPolarHBondContact CE1-O 3.25Å; Y178-P319 WeakPolarHBondContact OH-CA 3.25Å; Y178-S320 PolarHBondContact OH-N 2.87Å
179V98.9Very high97.9Very high0 Ų023.8 Ų23.80%013%0.133CC..Hα-helixtrans-57.8-46.7171.6165.10000110.1A150 L154 L166 V175 G176 Q181 A183 L238A150-V179 HydrophobicContact CB-CG2 3.75Å; L154-V179 HydrophobicContact CD2-CG1 4.41Å; L166-V179 HydrophobicContact CD1-CG1 3.83Å; V175-V179 HydrophobicContact CG1-CG2 4.22Å; V175-V179 WeakPolarHBondContact O-CG2 3.41Å; V175-V179 PolarHBondContact O-N 2.95Å; G176-V179 WeakPolarHBondContact O-CB 3.35Å; G176-V179 PolarHBondContact O-N 3.3Å; V179-Q181 PolarHBondContact O-N 3.35Å; V179-A183 WeakPolarHBondContact O-CB 3.48Å; V179-A183 PolarHBondContact O-N 3.08Å; V179-L238 HydrophobicContact CB-CD1 4.44Å; V179-L238 HydrophobicContact CG1-CD1 3.74Å; V179-L238 HydrophobicContact CG2-CD1 3.79Å
180I98.9Very high98Very high0 Ų023.9 Ų23.90%013%0.134CC..Hα-helixtrans-56.5-51178.3-72167.2000111G176 I177 Y178 K184 N192 L210 G214G176-I180 WeakPolarHBondContact O-CG1 3.41Å; G176-I180 PolarHBondContact O-N 2.99Å; G176-I180 VanDerWaalsContact O-N 3.08Å; I177-I180 PolarHBondContact O-N 3.13Å; Y178-I180 VanDerWaalsContact C-N 3.32Å; Y178-I180 PolarHBondContact O-N 3.18Å; I180-K184 PolarHBondContact O-N 3.11Å; I180-N192 HydrophobicContact CD1-CB 4.28Å; I180-N192 WeakPolarHBondContact CG1-OD1 3.47Å; I180-L210 HydrophobicContact CD1-CB 4.28Å; I180-L210 HydrophobicContact CD1-CD2 3.79Å; I180-G214 VanDerWaalsContact CG2-C 3.42Å
181Q98.8Very high98.1Very high9 Ų923.3 Ų23.34%0.04213%0.128CC..Hα-helixtrans-68.5-44.8-174-64.6-178.794.100111.9I177 Y178 V179 K184 I185 Y213 I317 K318I177-Q181 WeakPolarHBondContact O-CG 3.21Å; I177-Q181 PolarHBondContact O-N 2.92Å; I177-Q181 PolarHBondContact O-NE2 3.18Å; Y178-Q181 PolarHBondContact O-N 3.2Å; V179-Q181 PolarHBondContact O-N 3.35Å; Q181-K184 WeakPolarHBondContact O-CB 3.36Å; Q181-K184 PolarHBondContact O-N 3.2Å; Q181-I185 WeakPolarHBondContact O-CG1 3.25Å; Q181-I185 PolarHBondContact O-N 3.22Å; Q181-I185 VanDerWaalsContact O-N 3.08Å; Q181-Y213 VanDerWaalsContact CD-CD1 3.43Å; Q181-Y213 HydrophobicContact CG-CD1 3.93Å; Q181-Y213 HydrophobicContact CG-CG 4.32Å; Q181-Y213 WeakPolarHBondContact CG-O 3.25Å; Q181-I317 HydrophobicContact CB-CB 4.38Å; Q181-I317 HydrophobicContact CB-CG2 3.87Å; Q181-K318 PolarHBondContact NE2-O 3.31Å; Q181-K318 PolarHBondContact OE1-O 2.65Å
182I98.9Very high98.2Very high0 Ų023.3 Ų23.30%013%0.128CC..Hα-helixtrans-68.8-40.7179.3-62.5169.1000110.1A150 L151 L154 Y178 K184 I185 L186 L308 W311 I317A150-I182 HydrophobicContact CB-CD1 3.94Å; L151-I182 HydrophobicContact CB-CD1 4.09Å; L151-I182 HydrophobicContact CD1-CG2 4Å; L154-I182 HydrophobicContact CD1-CB 3.73Å; L154-I182 HydrophobicContact CD1-CG2 3.53Å; Y178-I182 WeakPolarHBondContact O-CB 3.45Å; Y178-I182 VanDerWaalsContact O-CG1 3.22Å; Y178-I182 WeakPolarHBondContact O-CG1 3.46Å; Y178-I182 PolarHBondContact O-N 3.49Å; I182-K184 VanDerWaalsContact C-N 3.29Å; I182-K184 PolarHBondContact O-N 3.39Å; I182-I185 PolarHBondContact O-N 2.92Å; I182-I185 VanDerWaalsContact O-N 3.14Å; I182-L186 HydrophobicContact CG2-CD1 3.85Å; I182-L186 HydrophobicContact CG2-CG 4.22Å; I182-L186 VanDerWaalsContact O-CG 3.31Å; I182-L186 WeakPolarHBondContact O-CG 3.22Å; I182-L186 PolarHBondContact O-N 2.99Å; I182-L308 HydrophobicContact CD1-CD2 4.13Å; I182-W311 HydrophobicContact CB-CZ3 4.48Å; I182-W311 HydrophobicContact CD1-CZ3 4.31Å; I182-W311 HydrophobicContact CG1-CE3 4.34Å; I182-W311 HydrophobicContact CG1-CZ3 3.92Å; I182-W311 HydrophobicContact CG2-CH2 4.1Å; I182-W311 HydrophobicContact CG2-CZ3 3.9Å; I182-I317 HydrophobicContact CG1-CG2 4.45Å
183A98.8Very high98.3Very high0 Ų020.8 Ų20.80%011%0.112CC..Hα-helixtrans-57.1-43.3173.800000111.4L154 L166 V179 I185 L186 G187 Y188 T190L154-A183 HydrophobicContact CD1-CB 4.29Å; L166-A183 HydrophobicContact CD2-CB 4.13Å; V179-A183 WeakPolarHBondContact O-CB 3.48Å; V179-A183 PolarHBondContact O-N 3.08Å; A183-I185 PolarHBondContact O-N 2.86Å; A183-L186 CarbonylContact O-C 3.58Å; A183-L186 PolarHBondContact O-N 3.27Å; A183-G187 PolarHBondContact O-N 3.2Å; A183-Y188 HydrophobicContact CB-CD2 4.39Å; A183-Y188 PolarHBondContact O-N 2.87Å; A183-T190 HydrophobicContact CB-CG2 3.46Å; A183-T190 VanDerWaalsContact CB-CG2 3.46Å
184K98.7Very high98.3Very high135 Ų13519 Ų1959%0.58710%0.1SC*.Hα-helixtrans-60.2-44.9174.7179.3178.9175.7-174.30112.4I180 Q181 I182 L186 G187I180-K184 PolarHBondContact O-N 3.11Å; Q181-K184 WeakPolarHBondContact O-CB 3.36Å; Q181-K184 PolarHBondContact O-N 3.2Å; I182-K184 VanDerWaalsContact C-N 3.29Å; I182-K184 PolarHBondContact O-N 3.39Å; K184-L186 VanDerWaalsContact C-N 3.3Å; K184-L186 PolarHBondContact O-N 3.24Å; K184-G187 PolarHBondContact O-N 3.31Å; K184-G187 VanDerWaalsContact O-N 3.1Å
185I98.5Very high98.1Very high58 Ų5821.4 Ų21.430%0.29711%0.105SC..Hα-helixtrans-60.2-42.3176.6-67.9167.6000110.8Q181 I182 A183 G187 W311 L316 I317Q181-I185 WeakPolarHBondContact O-CG1 3.25Å; Q181-I185 PolarHBondContact O-N 3.22Å; Q181-I185 VanDerWaalsContact O-N 3.08Å; I182-I185 PolarHBondContact O-N 2.92Å; I182-I185 VanDerWaalsContact O-N 3.14Å; A183-I185 PolarHBondContact O-N 2.86Å; I185-G187 PolarHBondContact O-N 2.83Å; I185-W311 HydrophobicContact CD1-CD2 3.94Å; I185-W311 HydrophobicContact CD1-CE3 4.21Å; I185-W311 HydrophobicContact CD1-CG 4.16Å; I185-W311 HydrophobicContact CG2-CZ2 3.85Å; I185-L316 HydrophobicContact CD1-CB 3.79Å; I185-L316 HydrophobicContact CG1-CB 4.36Å; I185-I317 HydrophobicContact CD1-CG2 3.45Å; I185-I317 VanDerWaalsContact CD1-CG2 3.45Å
186L98.1Very high97.9Very high55 Ų5526.3 Ų26.329%0.28813%0.127SC..Hα-helixtrans-76.9-5.7178.6-61176.8000113.2L154 I182 A183 K184 Y188L154-L186 HydrophobicContact CB-CD1 4.27Å; L154-L186 HydrophobicContact CD1-CD1 4.39Å; I182-L186 HydrophobicContact CG2-CD1 3.85Å; I182-L186 HydrophobicContact CG2-CG 4.22Å; I182-L186 VanDerWaalsContact O-CG 3.31Å; I182-L186 WeakPolarHBondContact O-CG 3.22Å; I182-L186 PolarHBondContact O-N 2.99Å; A183-L186 CarbonylContact O-C 3.58Å; A183-L186 PolarHBondContact O-N 3.27Å; K184-L186 VanDerWaalsContact C-N 3.3Å; K184-L186 PolarHBondContact O-N 3.24Å; L186-Y188 HydrophobicContact CB-CD2 3.85Å; L186-Y188 HydrophobicContact CB-CE1 4.24Å; L186-Y188 HydrophobicContact CB-CE2 3.53Å; L186-Y188 HydrophobicContact CB-CG 4.33Å; L186-Y188 HydrophobicContact CD1-CD2 4.29Å; L186-Y188 HydrophobicContact CD1-CE2 3.58Å; L186-Y188 HydrophobicContact CG-CE2 4.21Å
187G98.1Very high97.6Very high22 Ų2227 Ų2723%0.22713%0.13CC..THydrogen-bonded Turntrans78.122.7178.500000114.5G163 A183 K184 I185G163-G187 PolarHBondContact N-O 2.87Å; A183-G187 PolarHBondContact O-N 3.2Å; K184-G187 PolarHBondContact O-N 3.31Å; K184-G187 VanDerWaalsContact O-N 3.1Å; I185-G187 PolarHBondContact O-N 2.83Å
188Y98.5Very high97.2Very high32 Ų3229.8 Ų29.813%0.12516%0.158CC..  trans-90.8152.4173.7-47.6-35000111.1L154 L160 Q161 L166 A183 L186L154-Y188 HydrophobicContact CD2-CD2 4.38Å; L160-Y188 HydrophobicContact CB-CD1 3.98Å; L160-Y188 HydrophobicContact CB-CD2 4.33Å; L160-Y188 HydrophobicContact CB-CE1 3.58Å; L160-Y188 HydrophobicContact CB-CE2 3.94Å; L160-Y188 HydrophobicContact CB-CG 4.35Å; L160-Y188 HydrophobicContact CD1-CD2 3.92Å; L160-Y188 HydrophobicContact CD1-CE2 4.03Å; L160-Y188 HydrophobicContact CD1-CG 4.29Å; L160-Y188 WeakPolarHBondContact O-CE1 3.31Å; L160-Y188 PolarHBondContact O-OH 3.11Å; L160-Y188 VanDerWaalsContact O-OH 3.07Å; Q161-Y188 WeakPolarHBondContact O-CD1 3.08Å; L166-Y188 HydrophobicContact CD2-CD2 4.24Å; L166-Y188 HydrophobicContact CD2-CG 4.5Å; A183-Y188 HydrophobicContact CB-CD2 4.39Å; A183-Y188 PolarHBondContact O-N 2.87Å; L186-Y188 HydrophobicContact CB-CD2 3.85Å; L186-Y188 HydrophobicContact CB-CE1 4.24Å; L186-Y188 HydrophobicContact CB-CE2 3.53Å; L186-Y188 HydrophobicContact CB-CG 4.33Å; L186-Y188 HydrophobicContact CD1-CD2 4.29Å; L186-Y188 HydrophobicContact CD1-CE2 3.58Å; L186-Y188 HydrophobicContact CG-CE2 4.21Å
189N98.1Very high97Very high54 Ų5432.7 Ų32.729%0.28918%0.176SC..EExtended strand (participates in β ladder)trans-93.6150.6170-68.6-58.8000110.7G163 D164 I165 L166 T216 W217G163-N189 PolarHBondContact O-ND2 3.29Å; D164-N189 PolarHBondContact O-N 3.2Å; I165-N189 WeakPolarHBondContact CA-O 3.41Å; I165-N189 HydrophobicContact CB-CB 4.38Å; I165-N189 HydrophobicContact CG1-CB 3.98Å; I165-N189 HydrophobicContact CG2-CB 4.22Å; L166-N189 PolarHBondContact N-O 3.44Å; N189-T216 WeakPolarHBondContact CA-OG1 3.28Å; N189-T216 HydrophobicContact CB-CG2 4.19Å; N189-T216 PolarHBondContact OD1-OG1 3.32Å; N189-W217 HydrophobicContact CB-CH2 4.38Å; N189-W217 HydrophobicContact CB-CZ3 3.78Å
190T98.6Very high96.8Very high1 Ų137.1 Ų37.11%0.00621%0.205CC..EExtended strand (participates in β ladder)trans-128.6131.2-176.852.40000112L166 A183 N192 T216 W217L166-T190 HydrophobicContact CD1-CG2 4.24Å; L166-T190 HydrophobicContact CD2-CG2 4.01Å; L166-T190 HydrophobicContact CG-CG2 3.99Å; L166-T190 WeakPolarHBondContact O-CA 3.48Å; A183-T190 HydrophobicContact CB-CG2 3.46Å; A183-T190 VanDerWaalsContact CB-CG2 3.46Å; T190-N192 WeakPolarHBondContact CB-ND2 3.42Å; T190-N192 WeakPolarHBondContact CB-OD1 3.43Å; T190-N192 PolarHBondContact O-ND2 3.34Å; T190-N192 VanDerWaalsContact O-ND2 3.14Å; T190-N192 PolarHBondContact OG1-ND2 3.03Å; T190-T216 PolarHBondContact N-OG1 2.84Å; T190-T216 WeakPolarHBondContact O-CB 3.45Å; T190-T216 PolarHBondContact O-N 3.37Å; T190-T216 PolarHBondContact OG1-N 2.78Å; T190-W217 PolarHBondContact O-N 3.28Å
191V98.5Very high96.6Very high0 Ų043.6 Ų43.60%024%0.235CC..EExtended strand (participates in β ladder)trans-97.9116.6162.2177.80000108.2I165 L166 I167 Q168 L193 W217 Y224 M231 F234I165-V191 HydrophobicContact CG2-CG2 3.98Å; L166-V191 PolarHBondContact O-N 3.42Å; I167-V191 CarbonylContact C-O 3.32Å; I167-V191 WeakPolarHBondContact CA-O 3.38Å; I167-V191 HydrophobicContact CB-CB 4.16Å; I167-V191 HydrophobicContact CD1-CB 4.33Å; I167-V191 HydrophobicContact CD1-CG1 3.91Å; I167-V191 HydrophobicContact CG1-CB 3.9Å; I167-V191 HydrophobicContact CG1-CG1 3.86Å; Q168-V191 PolarHBondContact N-O 3.44Å; V191-L193 HydrophobicContact CG1-CD2 3.99Å; V191-W217 HydrophobicContact CG2-CB 4.18Å; V191-W217 HydrophobicContact CG2-CD2 4.22Å; V191-W217 HydrophobicContact CG2-CE3 3.63Å; V191-W217 HydrophobicContact CG2-CG 4.46Å; V191-W217 HydrophobicContact CG2-CZ3 4.38Å; V191-Y224 HydrophobicContact CG1-CD2 3.82Å; V191-Y224 HydrophobicContact CG1-CE2 3.84Å; V191-M231 HydrophobicContact CB-SD 4.42Å; V191-M231 HydrophobicContact CG1-SD 3.93Å; V191-M231 HydrophobicContact CG2-CB 4.04Å; V191-M231 HydrophobicContact CG2-CG 4.05Å; V191-M231 HydrophobicContact CG2-SD 3.55Å; V191-M231 VanDerWaalsContact CG2-SD 3.55Å; V191-F234 HydrophobicContact CB-CE1 4.07Å; V191-F234 HydrophobicContact CB-CZ 4.41Å; V191-F234 HydrophobicContact CG2-CE1 3.51Å; V191-F234 HydrophobicContact CG2-CZ 3.85Å
192N98.6Very high96.5Very high0 Ų043.7 Ų43.70%024%0.238CC..EExtended strand (participates in β ladder)trans-116.497.1-166.3-58.2-68.9000109.4Q168 A171 I180 T190 G215 W217 L219Q168-N192 PolarHBondContact NE2-OD1 3.46Å; A171-N192 HydrophobicContact CB-CB 3.67Å; I180-N192 HydrophobicContact CD1-CB 4.28Å; I180-N192 WeakPolarHBondContact CG1-OD1 3.47Å; T190-N192 WeakPolarHBondContact CB-ND2 3.42Å; T190-N192 WeakPolarHBondContact CB-OD1 3.43Å; T190-N192 PolarHBondContact O-ND2 3.34Å; T190-N192 VanDerWaalsContact O-ND2 3.14Å; T190-N192 PolarHBondContact OG1-ND2 3.03Å; N192-G215 WeakPolarHBondContact ND2-CA 3.33Å; N192-W217 WeakPolarHBondContact CB-O 3.29Å; N192-W217 PolarHBondContact N-O 2.86Å; N192-W217 PolarHBondContact ND2-O 3.44Å; N192-W217 VanDerWaalsContact ND2-O 3.11Å; N192-L219 PolarHBondContact O-N 3.09Å
193L97.7Very high96.4Very high1 Ų144 Ų441%0.00524%0.24CC..EExtended strand (participates in β ladder)trans-83128.6179.9-51.9-175.4000110.6I167 Q168 N169 G170 A171 V191 L219 Y224 I248 L249I167-L193 HydrophobicContact CD1-CD1 4.13Å; I167-L193 HydrophobicContact CD1-CG 4.43Å; I167-L193 HydrophobicContact CG1-CD1 4.44Å; I167-L193 HydrophobicContact CG1-CG 4.42Å; Q168-L193 WeakPolarHBondContact O-CB 3.43Å; Q168-L193 PolarHBondContact O-N 3.36Å; N169-L193 HydrophobicContact CB-CB 4.48Å; G170-L193 PolarHBondContact N-O 3.31Å; G170-L193 VanDerWaalsContact N-O 3.14Å; A171-L193 WeakPolarHBondContact CB-O 3.33Å; A171-L193 PolarHBondContact N-O 2.95Å; V191-L193 HydrophobicContact CG1-CD2 3.99Å; L193-L219 VanDerWaalsContact CA-O 3.31Å; L193-L219 WeakPolarHBondContact CA-O 3.42Å; L193-L219 HydrophobicContact CD2-CB 4.36Å; L193-Y224 HydrophobicContact CD1-CD1 4.31Å; L193-Y224 HydrophobicContact CD1-CG 4.46Å; L193-Y224 HydrophobicContact CD2-CD1 4.28Å; L193-Y224 HydrophobicContact CD2-CD2 3.86Å; L193-Y224 HydrophobicContact CD2-CG 3.61Å; L193-I248 HydrophobicContact CD1-CG2 4.22Å; L193-L249 HydrophobicContact CD1-CD2 4.12Å
194F95.7Very high96.3Very high1 Ų147.5 Ų47.50%0.00426%0.256CS..EExtended strand (participates in β ladder)trans-131.3158.7173.469.3-82.3000110.9T172 T203 T206 R207 L210 C218 L219 T220T172-F194 HydrophobicContact CG2-CB 4.03Å; F194-T203 HydrophobicContact CE2-CG2 3.87Å; F194-T203 HydrophobicContact CZ-CG2 4.11Å; F194-T206 HydrophobicContact CD2-CG2 3.42Å; F194-T206 VanDerWaalsContact CD2-CG2 3.42Å; F194-T206 HydrophobicContact CE2-CG2 3.65Å; F194-T206 HydrophobicContact CG-CG2 4.03Å; F194-T206 HydrophobicContact CZ-CG2 4.38Å; F194-R207 HydrophobicContact CE1-CB 4.24Å; F194-R207 HydrophobicContact CE1-CG 4.41Å; F194-R207 VanDerWaalsContact CE1-NH1 3.34Å; F194-R207 HydrophobicContact CZ-CB 3.93Å; F194-R207 HydrophobicContact CZ-CG 4.49Å; F194-L210 HydrophobicContact CB-CD1 4.19Å; F194-L210 HydrophobicContact CD1-CD1 3.62Å; F194-L210 HydrophobicContact CE1-CD1 4.24Å; F194-L210 HydrophobicContact CG-CD1 4.04Å; F194-C218 HydrophobicContact CE1-CB 4.47Å; F194-L219 VanDerWaalsContact CD1-O 3.25Å; F194-L219 WeakPolarHBondContact CD1-O 3.33Å; F194-L219 PolarHBondContact N-O 2.87Å; F194-T220 HydrophobicContact CE2-CG2 4.03Å; F194-T220 HydrophobicContact CZ-CG2 4.01Å; F194-T220 WeakPolarHBondContact O-CA 3.47Å
195R92.8Very high96.2Very high69 Ų6946.3 Ų46.326%0.2625%0.253SS..PPolyproline II helixtrans-70.9146.3175.9-67.4-178.4178.5177.8-1.4109.9R197 D341R195-R197 PolarHBondContact O-NH1 2.82Å; R195-D341 IonicContact NH1-OD1 2.77Å; R195-D341 IonicContact NH2-OD1 2.97Å; R195-D341 PolarHBondContact NH2-OD1 3.09Å
196E93.6Very high96.1Very high114 Ų11443.6 Ų43.653%0.53324%0.239SC..PPolyproline II helixtrans-59.2152.5165.7-165.3165.1-161.700110.8T203 T220E196-T203 HydrophobicContact CG-CG2 4.22Å; E196-T220 HydrophobicContact CB-CG2 4.16Å; E196-T220 HydrophobicContact CG-CG2 4.48Å
197R92.9Very high96.1Very high15 Ų1541.6 Ų41.66%0.05723%0.227CC..PPolyproline II helixtrans-102.3171.3178.1-60.4-69.4174.2-95.3-3.2110.3R195 T199 A202 T203 T206 P344R195-R197 PolarHBondContact O-NH1 2.82Å; R197-T199 PolarHBondContact O-N 3.24Å; R197-T199 VanDerWaalsContact O-N 3.08Å; R197-A202 HydrophobicContact CB-CB 3.62Å; R197-A202 HydrophobicContact CG-CB 4.11Å; R197-T203 WeakPolarHBondContact CB-OG1 3.39Å; R197-T203 PolarHBondContact N-OG1 3.07Å; R197-T206 PolarHBondContact NE-OG1 3.49Å; R197-P344 WeakPolarHBondContact CD-O 3.5Å
198G90.5Very high96.1Very high58 Ų5844.1 Ų44.160%0.59824%0.236SC*.SBendtrans-59.1-19.9-179.700000114.9
199T93.6Very high96.1Very high63 Ų6344.3 Ų44.339%0.38724%0.239SC..SBendtrans-136157.417476.50000111.9R197 E201 A202 T203R197-T199 PolarHBondContact O-N 3.24Å; R197-T199 VanDerWaalsContact O-N 3.08Å; T199-E201 VanDerWaalsContact C-N 3.27Å; T199-E201 VanDerWaalsContact CB-OE2 3.3Å; T199-E201 WeakPolarHBondContact CB-OE2 3.29Å; T199-E201 PolarHBondContact O-N 3.1Å; T199-E201 PolarHBondContact OG1-OE2 3.37Å; T199-A202 PolarHBondContact O-N 2.65Å; T199-A202 PolarHBondContact OG1-N 2.79Å; T199-A202 VanDerWaalsContact OG1-N 3.16Å; T199-T203 PolarHBondContact O-N 2.83Å; T199-T203 VanDerWaalsContact O-N 3.09Å; T199-T203 PolarHBondContact O-OG1 2.75Å
200P94.8Very high96.1Very high93 Ų9341.8 Ų41.860%0.60423%0.225SC*.Hα-helixtrans-56.4-39.2171.9-26.236.2000113T203 E204P200-T203 WeakPolarHBondContact O-CB 3.4Å; P200-T203 PolarHBondContact O-N 3.26Å; P200-E204 PolarHBondContact O-N 2.82Å
201E95.7Very high96.1Very high135 Ų13547.3 Ų47.363%0.63125%0.246SC*.Hα-helixtrans-64.7-45.8-179.3-60.570.3-150.800111.3T199 T203 E204 E205T199-E201 VanDerWaalsContact C-N 3.27Å; T199-E201 VanDerWaalsContact CB-OE2 3.3Å; T199-E201 WeakPolarHBondContact CB-OE2 3.29Å; T199-E201 PolarHBondContact O-N 3.1Å; T199-E201 PolarHBondContact OG1-OE2 3.37Å; E201-T203 VanDerWaalsContact C-N 3.27Å; E201-T203 PolarHBondContact O-N 3.46Å; E201-E204 PolarHBondContact O-N 3.02Å; E201-E205 WeakPolarHBondContact O-CB 3.43Å; E201-E205 PolarHBondContact O-N 3.38Å
202A95.5Very high96.1Very high12 Ų1251.2 Ų51.210%0.09927%0.273CS..Hα-helixtrans-66.3-31.6176.900000112R197 T199 T206R197-A202 HydrophobicContact CB-CB 3.62Å; R197-A202 HydrophobicContact CG-CB 4.11Å; T199-A202 PolarHBondContact O-N 2.65Å; T199-A202 PolarHBondContact OG1-N 2.79Å; T199-A202 VanDerWaalsContact OG1-N 3.16Å; A202-T206 WeakPolarHBondContact O-CB 3.35Å; A202-T206 PolarHBondContact O-N 2.95Å; A202-T206 PolarHBondContact O-OG1 3.01Å
203T96.3Very high96.1Very high6 Ų652.6 Ų52.64%0.03728%0.278CS..Hα-helixtrans-66.7-44.6174.3-59.30000110.5F194 E196 R197 T199 P200 E201 T206 R207 T220F194-T203 HydrophobicContact CE2-CG2 3.87Å; F194-T203 HydrophobicContact CZ-CG2 4.11Å; E196-T203 HydrophobicContact CG-CG2 4.22Å; R197-T203 WeakPolarHBondContact CB-OG1 3.39Å; R197-T203 PolarHBondContact N-OG1 3.07Å; T199-T203 PolarHBondContact O-N 2.83Å; T199-T203 VanDerWaalsContact O-N 3.09Å; T199-T203 PolarHBondContact O-OG1 2.75Å; P200-T203 WeakPolarHBondContact O-CB 3.4Å; P200-T203 PolarHBondContact O-N 3.26Å; E201-T203 VanDerWaalsContact C-N 3.27Å; E201-T203 PolarHBondContact O-N 3.46Å; T203-T206 WeakPolarHBondContact O-CB 3.47Å; T203-T206 PolarHBondContact O-N 3.06Å; T203-R207 PolarHBondContact O-N 2.86Å; T203-T220 HydrophobicContact CG2-CG2 3.64Å
204E97.3Very high96.1Very high73 Ų7353.3 Ų53.334%0.34129%0.287SS..Hα-helixtrans-69.9-37176.7-170.954.8-149.200112.6P200 E201 T206 R207 N208 R211P200-E204 PolarHBondContact O-N 2.82Å; E201-E204 PolarHBondContact O-N 3.02Å; E204-T206 VanDerWaalsContact C-N 3.33Å; E204-T206 PolarHBondContact O-N 3.27Å; E204-R207 WeakPolarHBondContact O-CB 3.43Å; E204-R207 PolarHBondContact O-N 2.93Å; E204-R207 IonicContact OE1-NE 3.08Å; E204-R207 WeakPolarHBondContact OE2-CD 3.43Å; E204-R207 IonicContact OE2-CZ 2.89Å; E204-R207 IonicContact OE2-NE 3.63Å; E204-R207 PolarHBondContact OE2-NE 2.72Å; E204-R207 IonicContact OE2-NH2 3.48Å; E204-N208 WeakPolarHBondContact O-CB 3.15Å; E204-N208 PolarHBondContact O-N 3.37Å; E204-N208 PolarHBondContact O-ND2 3.08Å; E204-N208 PolarHBondContact OE1-ND2 3.48Å; E204-N208 VanDerWaalsContact OE1-ND2 3.15Å; E204-N208 PolarHBondContact OE1-OD1 3.47Å; E204-R211 IonicContact OE1-NH1 3.5Å; E204-R211 PolarHBondContact OE1-NH1 2.8Å
205E96.9Very high96.3Very high111 Ų11153.6 Ų53.652%0.51929%0.29SS..Hα-helixtrans-58.6-46.4171.6-172.5-170178.700110.9E201 R207 N208 L209 I347E201-E205 WeakPolarHBondContact O-CB 3.43Å; E201-E205 PolarHBondContact O-N 3.38Å; E205-R207 VanDerWaalsContact C-N 3.31Å; E205-R207 PolarHBondContact O-N 3.34Å; E205-N208 PolarHBondContact O-N 2.86Å; E205-L209 PolarHBondContact O-N 3.43Å; E205-I347 HydrophobicContact CG-CD1 4.07Å
206T97.1Very high96.5Very high0 Ų053 Ų530%029%0.293CS..Hα-helixtrans-60.2-42.9176-61.90000111.2T172 F194 R197 A202 T203 E204 L209 L210T172-T206 HydrophobicContact CG2-CG2 3.53Å; F194-T206 HydrophobicContact CD2-CG2 3.42Å; F194-T206 VanDerWaalsContact CD2-CG2 3.42Å; F194-T206 HydrophobicContact CE2-CG2 3.65Å; F194-T206 HydrophobicContact CG-CG2 4.03Å; F194-T206 HydrophobicContact CZ-CG2 4.38Å; R197-T206 PolarHBondContact NE-OG1 3.49Å; A202-T206 WeakPolarHBondContact O-CB 3.35Å; A202-T206 PolarHBondContact O-N 2.95Å; A202-T206 PolarHBondContact O-OG1 3.01Å; T203-T206 WeakPolarHBondContact O-CB 3.47Å; T203-T206 PolarHBondContact O-N 3.06Å; E204-T206 VanDerWaalsContact C-N 3.33Å; E204-T206 PolarHBondContact O-N 3.27Å; T206-L209 WeakPolarHBondContact O-CB 3.38Å; T206-L209 PolarHBondContact O-N 3.43Å; T206-L210 WeakPolarHBondContact O-CG 3.35Å; T206-L210 PolarHBondContact O-N 3.31Å; T206-L210 VanDerWaalsContact O-N 3.13Å
207R97.8Very high96.7Very high13 Ų1350.7 Ų50.75%0.04928%0.28CS..Hα-helixtrans-60.9-46.9177.3-169.1-175.9-37.4-66.11.6112.2F194 T203 E204 E205 L209 L210 R211 C218 E223F194-R207 HydrophobicContact CE1-CB 4.24Å; F194-R207 HydrophobicContact CE1-CG 4.41Å; F194-R207 VanDerWaalsContact CE1-NH1 3.34Å; F194-R207 HydrophobicContact CZ-CB 3.93Å; F194-R207 HydrophobicContact CZ-CG 4.49Å; T203-R207 PolarHBondContact O-N 2.86Å; E204-R207 WeakPolarHBondContact O-CB 3.43Å; E204-R207 PolarHBondContact O-N 2.93Å; E204-R207 IonicContact OE1-NE 3.08Å; E204-R207 WeakPolarHBondContact OE2-CD 3.43Å; E204-R207 IonicContact OE2-CZ 2.89Å; E204-R207 IonicContact OE2-NE 3.63Å; E204-R207 PolarHBondContact OE2-NE 2.72Å; E204-R207 IonicContact OE2-NH2 3.48Å; E205-R207 VanDerWaalsContact C-N 3.31Å; E205-R207 PolarHBondContact O-N 3.34Å; R207-L209 VanDerWaalsContact C-N 3.32Å; R207-L209 PolarHBondContact O-N 2.81Å; R207-L210 PolarHBondContact O-N 3.47Å; R207-R211 WeakPolarHBondContact O-CG 2.95Å; R207-R211 PolarHBondContact O-N 3.48Å; R207-C218 HydrophobicContact CG-CB 3.82Å; R207-C218 VanDerWaalsContact CG-O 3.32Å; R207-C218 WeakPolarHBondContact CG-O 3.31Å; R207-C218 PolarHBondContact NH1-O 3.23Å; R207-E223 IonicContact CZ-OE1 3.97Å; R207-E223 IonicContact CZ-OE2 3.65Å; R207-E223 IonicContact NH1-OE1 3.7Å; R207-E223 IonicContact NH1-OE2 3.75Å; R207-E223 PolarHBondContact NH1-OE2 3.33Å; R207-E223 IonicContact NH2-OE1 3.35Å; R207-E223 PolarHBondContact NH2-OE1 3.45Å; R207-E223 IonicContact NH2-OE2 3.64Å; R207-E223 PolarHBondContact NH2-OE2 3.45Å
208N98.1Very high97Very high76 Ų7650 Ų5041%0.40628%0.278SS..Hα-helixtrans-67.3-34.6-179.2-71.9-32000111.8E204 E205 R211 S212E204-N208 WeakPolarHBondContact O-CB 3.15Å; E204-N208 PolarHBondContact O-N 3.37Å; E204-N208 PolarHBondContact O-ND2 3.08Å; E204-N208 PolarHBondContact OE1-ND2 3.48Å; E204-N208 VanDerWaalsContact OE1-ND2 3.15Å; E204-N208 PolarHBondContact OE1-OD1 3.47Å; E205-N208 PolarHBondContact O-N 2.86Å; N208-R211 PolarHBondContact O-N 3.35Å; N208-R211 PolarHBondContact OD1-NH1 3.13Å; N208-S212 WeakPolarHBondContact O-CB 3.47Å; N208-S212 PolarHBondContact O-N 3.47Å
209L97.8Very high97.3Very high36 Ų3647.5 Ų47.519%0.18825%0.25CS..Hα-helixtrans-58.4-51.3169.4179.471.3000111.4E205 T206 R207 R211 S212 Y213 P321 I347E205-L209 PolarHBondContact O-N 3.43Å; T206-L209 WeakPolarHBondContact O-CB 3.38Å; T206-L209 PolarHBondContact O-N 3.43Å; R207-L209 VanDerWaalsContact C-N 3.32Å; R207-L209 PolarHBondContact O-N 2.81Å; L209-R211 VanDerWaalsContact C-N 3.32Å; L209-R211 PolarHBondContact O-N 3.27Å; L209-S212 WeakPolarHBondContact O-CB 3.42Å; L209-S212 PolarHBondContact O-N 3.3Å; L209-S212 VanDerWaalsContact O-N 3.08Å; L209-S212 PolarHBondContact O-OG 3.19Å; L209-Y213 HydrophobicContact CD1-CD2 4.29Å; L209-Y213 HydrophobicContact CD1-CE2 3.65Å; L209-Y213 HydrophobicContact CD2-CE2 4.44Å; L209-Y213 HydrophobicContact CG-CD2 4.21Å; L209-Y213 HydrophobicContact CG-CE2 3.85Å; L209-Y213 VanDerWaalsContact O-CD2 3.28Å; L209-Y213 WeakPolarHBondContact O-CD2 3.35Å; L209-Y213 PolarHBondContact O-N 2.99Å; L209-P321 HydrophobicContact CD2-CG 4.11Å; L209-I347 HydrophobicContact CB-CD1 4.29Å; L209-I347 HydrophobicContact CD2-CB 4.34Å; L209-I347 HydrophobicContact CD2-CD1 3.73Å; L209-I347 HydrophobicContact CD2-CG1 3.8Å; L209-I347 HydrophobicContact CD2-CG2 3.56Å; L209-I347 HydrophobicContact CG-CD1 4.5Å
210L98.6Very high97.5Very high0 Ų044.6 Ų44.60%023%0.233CC..Hα-helixtrans-61.4-40.4179.9-64.7176.9000111.9A171 T172 I177 I180 F194 T206 R207 S212 Y213 G214 G215 C218A171-L210 HydrophobicContact CB-CD1 3.93Å; A171-L210 HydrophobicContact CB-CD2 4.21Å; A171-L210 WeakPolarHBondContact O-CD2 3.4Å; T172-L210 HydrophobicContact CG2-CD1 4.3Å; T172-L210 HydrophobicContact CG2-CD2 4.18Å; T172-L210 HydrophobicContact CG2-CG 4.47Å; I177-L210 HydrophobicContact CD1-CD2 3.4Å; I177-L210 VanDerWaalsContact CD1-CD2 3.4Å; I180-L210 HydrophobicContact CD1-CB 4.28Å; I180-L210 HydrophobicContact CD1-CD2 3.79Å; F194-L210 HydrophobicContact CB-CD1 4.19Å; F194-L210 HydrophobicContact CD1-CD1 3.62Å; F194-L210 HydrophobicContact CE1-CD1 4.24Å; F194-L210 HydrophobicContact CG-CD1 4.04Å; T206-L210 WeakPolarHBondContact O-CG 3.35Å; T206-L210 PolarHBondContact O-N 3.31Å; T206-L210 VanDerWaalsContact O-N 3.13Å; R207-L210 PolarHBondContact O-N 3.47Å; L210-S212 VanDerWaalsContact C-N 3.33Å; L210-S212 PolarHBondContact O-N 2.81Å; L210-Y213 PolarHBondContact O-N 2.88Å; L210-G214 PolarHBondContact O-N 3.12Å; L210-G215 PolarHBondContact O-N 3.04Å; L210-C218 HydrophobicContact CB-CB 3.94Å; L210-C218 WeakPolarHBondContact CB-SG 3.31Å; L210-C218 HydrophobicContact CD1-CB 4.19Å
211R98.5Very high97.4Very high117 Ų11742.6 Ų42.644%0.44222%0.215SC..Hα-helixtrans-62.3-38.9172.9-73.4176.1175.4151.1-3.6112.1E204 R207 N208 L209 Y213 G214 C218E204-R211 IonicContact OE1-NH1 3.5Å; E204-R211 PolarHBondContact OE1-NH1 2.8Å; R207-R211 WeakPolarHBondContact O-CG 2.95Å; R207-R211 PolarHBondContact O-N 3.48Å; N208-R211 PolarHBondContact O-N 3.35Å; N208-R211 PolarHBondContact OD1-NH1 3.13Å; L209-R211 VanDerWaalsContact C-N 3.32Å; L209-R211 PolarHBondContact O-N 3.27Å; R211-Y213 PolarHBondContact O-N 3.44Å; R211-G214 WeakPolarHBondContact O-CA 3.18Å; R211-G214 PolarHBondContact O-N 3.2Å; R211-C218 HydrophobicContact CG-CB 4.35Å
212S98.1Very high97.4Very high82 Ų8239 Ų3957%0.57321%0.205SC*.Hα-helixtrans-63.2-27.817981.60000113.1N208 L209 L210 G214N208-S212 WeakPolarHBondContact O-CB 3.47Å; N208-S212 PolarHBondContact O-N 3.47Å; L209-S212 WeakPolarHBondContact O-CB 3.42Å; L209-S212 PolarHBondContact O-N 3.3Å; L209-S212 VanDerWaalsContact O-N 3.08Å; L209-S212 PolarHBondContact O-OG 3.19Å; L210-S212 VanDerWaalsContact C-N 3.33Å; L210-S212 PolarHBondContact O-N 2.81Å; S212-G214 VanDerWaalsContact C-N 3.32Å
213Y98.5Very high97.4Very high29 Ų2941.1 Ų41.111%0.11421%0.213CC..THydrogen-bonded Turntrans-80.9-9.9171.6-73.3-66.1000113.5I177 Q181 L209 L210 R211 K318 P319 P321I177-Y213 HydrophobicContact CD1-CD2 3.8Å; I177-Y213 HydrophobicContact CD1-CE2 3.96Å; I177-Y213 HydrophobicContact CG2-CD1 3.95Å; I177-Y213 HydrophobicContact CG2-CD2 3.83Å; I177-Y213 HydrophobicContact CG2-CE1 3.9Å; I177-Y213 HydrophobicContact CG2-CE2 3.78Å; I177-Y213 HydrophobicContact CG2-CG 3.9Å; Q181-Y213 VanDerWaalsContact CD-CD1 3.43Å; Q181-Y213 HydrophobicContact CG-CD1 3.93Å; Q181-Y213 HydrophobicContact CG-CG 4.32Å; Q181-Y213 WeakPolarHBondContact CG-O 3.25Å; L209-Y213 HydrophobicContact CD1-CD2 4.29Å; L209-Y213 HydrophobicContact CD1-CE2 3.65Å; L209-Y213 HydrophobicContact CD2-CE2 4.44Å; L209-Y213 HydrophobicContact CG-CD2 4.21Å; L209-Y213 HydrophobicContact CG-CE2 3.85Å; L209-Y213 VanDerWaalsContact O-CD2 3.28Å; L209-Y213 WeakPolarHBondContact O-CD2 3.35Å; L209-Y213 PolarHBondContact O-N 2.99Å; L210-Y213 PolarHBondContact O-N 2.88Å; R211-Y213 PolarHBondContact O-N 3.44Å; Y213-K318 HydrophobicContact CE1-CB 3.98Å; Y213-P319 PolarHBondContact OH-O 2.97Å; Y213-P321 WeakPolarHBondContact OH-CD 3.17Å
214G98.4Very high97.4Very high17 Ų1740.8 Ų40.818%0.17521%0.211CC..THydrogen-bonded Turntrans110.413.4178.900000115.8I180 L210 R211 S212 T216I180-G214 VanDerWaalsContact CG2-C 3.42Å; L210-G214 PolarHBondContact O-N 3.12Å; R211-G214 WeakPolarHBondContact O-CA 3.18Å; R211-G214 PolarHBondContact O-N 3.2Å; S212-G214 VanDerWaalsContact C-N 3.32Å; G214-T216 PolarHBondContact O-N 3.07Å
215G98.6Very high97.2Very high7 Ų742.3 Ų42.37%0.07222%0.219CC..  trans-67.4125.2-179.500000111.8N192 L210N192-G215 WeakPolarHBondContact ND2-CA 3.33Å; L210-G215 PolarHBondContact O-N 3.04Å
216T98.2Very high97.1Very high55 Ų5544.9 Ų44.934%0.33723%0.231SC..SBendtrans-68.4-55.7-176.5-440000111.4N189 T190 G214N189-T216 WeakPolarHBondContact CA-OG1 3.28Å; N189-T216 HydrophobicContact CB-CG2 4.19Å; N189-T216 PolarHBondContact OD1-OG1 3.32Å; T190-T216 PolarHBondContact N-OG1 2.84Å; T190-T216 WeakPolarHBondContact O-CB 3.45Å; T190-T216 PolarHBondContact O-N 3.37Å; T190-T216 PolarHBondContact OG1-N 2.78Å; G214-T216 PolarHBondContact O-N 3.07Å
217W98.3Very high97Very high66 Ų6649.2 Ų49.225%0.2525%0.248CC..EExtended strand (participates in β ladder)trans-120122.5171.5-60.1-87.7000108.7I165 N189 T190 V191 N192 L219 M231I165-W217 HydrophobicContact CD1-CH2 3.9Å; I165-W217 HydrophobicContact CD1-CZ3 3.96Å; I165-W217 HydrophobicContact CG1-CZ3 4.23Å; I165-W217 HydrophobicContact CG2-CE3 4.33Å; I165-W217 HydrophobicContact CG2-CZ3 3.77Å; N189-W217 HydrophobicContact CB-CH2 4.38Å; N189-W217 HydrophobicContact CB-CZ3 3.78Å; T190-W217 PolarHBondContact O-N 3.28Å; V191-W217 HydrophobicContact CG2-CB 4.18Å; V191-W217 HydrophobicContact CG2-CD2 4.22Å; V191-W217 HydrophobicContact CG2-CE3 3.63Å; V191-W217 HydrophobicContact CG2-CG 4.46Å; V191-W217 HydrophobicContact CG2-CZ3 4.38Å; N192-W217 WeakPolarHBondContact CB-O 3.29Å; N192-W217 PolarHBondContact N-O 2.86Å; N192-W217 PolarHBondContact ND2-O 3.44Å; N192-W217 VanDerWaalsContact ND2-O 3.11Å; W217-L219 HydrophobicContact CB-CD1 4.25Å; W217-L219 HydrophobicContact CB-CG 4.39Å; W217-M231 HydrophobicContact CB-SD 3.98Å; W217-M231 HydrophobicContact CD2-CG 4.04Å; W217-M231 HydrophobicContact CD2-SD 4.23Å; W217-M231 HydrophobicContact CE3-CG 4.47Å; W217-M231 HydrophobicContact CG-CG 4.2Å; W217-M231 HydrophobicContact CG-SD 3.84Å
218C98.4Very high96.6Very high1 Ų149.5 Ų49.51%0.00725%0.253CS..EExtended strand (participates in β ladder)trans-119.6105.1178.3-58.70000107.1F194 R207 L210 R211F194-C218 HydrophobicContact CE1-CB 4.47Å; R207-C218 HydrophobicContact CG-CB 3.82Å; R207-C218 VanDerWaalsContact CG-O 3.32Å; R207-C218 WeakPolarHBondContact CG-O 3.31Å; R207-C218 PolarHBondContact NH1-O 3.23Å; L210-C218 HydrophobicContact CB-CB 3.94Å; L210-C218 WeakPolarHBondContact CB-SG 3.31Å; L210-C218 HydrophobicContact CD1-CB 4.19Å; R211-C218 HydrophobicContact CG-CB 4.35Å
219L97.9Very high96.2Very high5 Ų556.1 Ų56.13%0.02628%0.278CS..EExtended strand (participates in β ladder)trans-131.8146.5-166.5-59.8171.9000110.1N192 L193 F194 W217 E223 Y224 M231N192-L219 PolarHBondContact O-N 3.09Å; L193-L219 VanDerWaalsContact CA-O 3.31Å; L193-L219 WeakPolarHBondContact CA-O 3.42Å; L193-L219 HydrophobicContact CD2-CB 4.36Å; F194-L219 VanDerWaalsContact CD1-O 3.25Å; F194-L219 WeakPolarHBondContact CD1-O 3.33Å; F194-L219 PolarHBondContact N-O 2.87Å; W217-L219 HydrophobicContact CB-CD1 4.25Å; W217-L219 HydrophobicContact CB-CG 4.39Å; L219-E223 WeakPolarHBondContact CA-OE2 3.35Å; L219-E223 HydrophobicContact CB-CB 4.22Å; L219-E223 HydrophobicContact CD2-CB 4.16Å; L219-Y224 HydrophobicContact CD1-CD2 4.23Å; L219-M231 HydrophobicContact CD1-CE 3.61Å; L219-M231 HydrophobicContact CD1-SD 3.66Å
220T96.4Very high95.8Very high3 Ų360 Ų602%0.01830%0.295CS..EExtended strand (participates in β ladder)trans-67.8162.2160.260.70000109.8F194 E196 T203 S222 E223 Y224F194-T220 HydrophobicContact CE2-CG2 4.03Å; F194-T220 HydrophobicContact CZ-CG2 4.01Å; F194-T220 WeakPolarHBondContact O-CA 3.47Å; E196-T220 HydrophobicContact CB-CG2 4.16Å; E196-T220 HydrophobicContact CG-CG2 4.48Å; T203-T220 HydrophobicContact CG2-CG2 3.64Å; T220-S222 VanDerWaalsContact C-N 3.27Å; T220-S222 PolarHBondContact O-N 3.19Å; T220-S222 PolarHBondContact OG1-OG 3.08Å; T220-S222 VanDerWaalsContact OG1-OG 3.1Å; T220-E223 PolarHBondContact N-OE2 2.92Å; T220-E223 PolarHBondContact O-N 3.36Å; T220-E223 WeakPolarHBondContact OG1-CB 3.34Å; T220-E223 WeakPolarHBondContact OG1-CG 3.4Å; T220-E223 PolarHBondContact OG1-N 2.88Å; T220-E223 PolarHBondContact OG1-OE2 2.87Å; T220-Y224 WeakPolarHBondContact O-CB 3.24Å; T220-Y224 PolarHBondContact O-N 3.14Å
221E93.4Very high95.6Very high50 Ų5060.7 Ų60.723%0.23430%0.299CS..Hα-helixtrans-60.8-37.3177.4-66.8-179.5-161.900111.8M225 I248E221-M225 VanDerWaalsContact O-CG 3.28Å; E221-M225 WeakPolarHBondContact O-CG 3.48Å; E221-M225 PolarHBondContact O-N 3.25Å; E221-M225 VanDerWaalsContact O-N 3.12Å; E221-I248 HydrophobicContact CB-CD1 4.26Å; E221-I248 HydrophobicContact CG-CD1 4.38Å
222S94.3Very high95.2Very high60 Ų6056.2 Ų56.242%0.4229%0.289SS..Hα-helixtrans-65.1-52.3175.842.20000112.2T220 Y224 M225 E226T220-S222 VanDerWaalsContact C-N 3.27Å; T220-S222 PolarHBondContact O-N 3.19Å; T220-S222 PolarHBondContact OG1-OG 3.08Å; T220-S222 VanDerWaalsContact OG1-OG 3.1Å; S222-Y224 PolarHBondContact O-N 2.83Å; S222-M225 PolarHBondContact O-N 2.92Å; S222-E226 PolarHBondContact O-N 2.91Å
223E96.9Very high94.9Very high56 Ų5656.9 Ų56.926%0.26229%0.291SS..Hα-helixtrans-56.3-38.8176.6-72.4165.2158.300111.8R207 L219 T220 R227R207-E223 IonicContact CZ-OE1 3.97Å; R207-E223 IonicContact CZ-OE2 3.65Å; R207-E223 IonicContact NH1-OE1 3.7Å; R207-E223 IonicContact NH1-OE2 3.75Å; R207-E223 PolarHBondContact NH1-OE2 3.33Å; R207-E223 IonicContact NH2-OE1 3.35Å; R207-E223 PolarHBondContact NH2-OE1 3.45Å; R207-E223 IonicContact NH2-OE2 3.64Å; R207-E223 PolarHBondContact NH2-OE2 3.45Å; L219-E223 WeakPolarHBondContact CA-OE2 3.35Å; L219-E223 HydrophobicContact CB-CB 4.22Å; L219-E223 HydrophobicContact CD2-CB 4.16Å; T220-E223 PolarHBondContact N-OE2 2.92Å; T220-E223 PolarHBondContact O-N 3.36Å; T220-E223 WeakPolarHBondContact OG1-CB 3.34Å; T220-E223 WeakPolarHBondContact OG1-CG 3.4Å; T220-E223 PolarHBondContact OG1-N 2.88Å; T220-E223 PolarHBondContact OG1-OE2 2.87Å; E223-R227 WeakPolarHBondContact O-CB 3.44Å; E223-R227 WeakPolarHBondContact O-CG 3.18Å; E223-R227 PolarHBondContact O-N 3.1Å
224Y96.3Very high94.8Very high0 Ų055.6 Ų55.60%029%0.286CS..Hα-helixtrans-65.2-42.3176.7175.4-100.8000112.3I167 V191 L193 L219 T220 S222 E226 R227 A228 M231 F234 I248 N252I167-Y224 HydrophobicContact CD1-CD2 4.45Å; I167-Y224 HydrophobicContact CD1-CE1 4.08Å; I167-Y224 HydrophobicContact CD1-CE2 3.68Å; I167-Y224 VanDerWaalsContact CD1-CZ 3.45Å; I167-Y224 WeakPolarHBondContact CD1-OH 3.36Å; V191-Y224 HydrophobicContact CG1-CD2 3.82Å; V191-Y224 HydrophobicContact CG1-CE2 3.84Å; L193-Y224 HydrophobicContact CD1-CD1 4.31Å; L193-Y224 HydrophobicContact CD1-CG 4.46Å; L193-Y224 HydrophobicContact CD2-CD1 4.28Å; L193-Y224 HydrophobicContact CD2-CD2 3.86Å; L193-Y224 HydrophobicContact CD2-CG 3.61Å; L219-Y224 HydrophobicContact CD1-CD2 4.23Å; T220-Y224 WeakPolarHBondContact O-CB 3.24Å; T220-Y224 PolarHBondContact O-N 3.14Å; S222-Y224 PolarHBondContact O-N 2.83Å; Y224-E226 VanDerWaalsContact C-N 3.25Å; Y224-E226 PolarHBondContact O-N 2.85Å; Y224-R227 CarbonylContact O-C 3.55Å; Y224-R227 PolarHBondContact O-N 2.9Å; Y224-R227 VanDerWaalsContact O-N 3.13Å; Y224-A228 HydrophobicContact CE1-CB 4.29Å; Y224-A228 WeakPolarHBondContact O-CA 3.32Å; Y224-A228 WeakPolarHBondContact O-CB 3.47Å; Y224-A228 PolarHBondContact O-N 3.39Å; Y224-M231 HydrophobicContact CD2-CE 3.56Å; Y224-M231 HydrophobicContact CD2-SD 4.18Å; Y224-M231 HydrophobicContact CE2-CE 3.78Å; Y224-M231 HydrophobicContact CE2-SD 4.23Å; Y224-F234 HydrophobicContact CE2-CE2 4.47Å; Y224-F234 HydrophobicContact CE2-CZ 4.27Å; Y224-F234 VanDerWaalsContact OH-CE2 3.25Å; Y224-F234 WeakPolarHBondContact OH-CE2 3.45Å; Y224-I248 HydrophobicContact CD1-CG2 3.68Å; Y224-I248 HydrophobicContact CE1-CG2 3.51Å; Y224-N252 WeakPolarHBondContact OH-CB 3.37Å; Y224-N252 PolarHBondContact OH-ND2 3.21Å; Y224-N252 PolarHBondContact OH-OD1 2.99Å
225M92.9Very high94.7Very high104 Ų10458.2 Ų58.251%0.51229%0.293SS..Hα-helixtrans-62.7-33.4-179.5-72-59.4-58.900112.5E221 S222 I248E221-M225 VanDerWaalsContact O-CG 3.28Å; E221-M225 WeakPolarHBondContact O-CG 3.48Å; E221-M225 PolarHBondContact O-N 3.25Å; E221-M225 VanDerWaalsContact O-N 3.12Å; S222-M225 PolarHBondContact O-N 2.92Å; M225-I248 HydrophobicContact SD-CD1 4.47Å; M225-I248 HydrophobicContact SD-CG1 4.35Å; M225-I248 HydrophobicContact SD-CG2 4.14Å
226E95.1Very high94.7Very high165 Ų16557.9 Ų57.977%0.77129%0.29SS*.Hα-helixtrans-72.2-33.3175.6-66.8176.9-179.600112.3S222 Y224S222-E226 PolarHBondContact O-N 2.91Å; Y224-E226 VanDerWaalsContact C-N 3.25Å; Y224-E226 PolarHBondContact O-N 2.85Å
227R94Very high94.7Very high91 Ų9155.3 Ų55.334%0.34327%0.273SS..Hα-helixtrans-109.57-170.4-61177.661.1-170.2-2114.3E223 Y224 K229 E230 M231E223-R227 WeakPolarHBondContact O-CB 3.44Å; E223-R227 WeakPolarHBondContact O-CG 3.18Å; E223-R227 PolarHBondContact O-N 3.1Å; Y224-R227 CarbonylContact O-C 3.55Å; Y224-R227 PolarHBondContact O-N 2.9Å; Y224-R227 VanDerWaalsContact O-N 3.13Å; R227-K229 PolarHBondContact O-N 3.11Å; R227-E230 IonicContact CZ-OE2 2.71Å; R227-E230 VanDerWaalsContact CZ-OE2 3.31Å; R227-E230 IonicContact NE-OE1 2.83Å; R227-E230 IonicContact NE-OE2 2.75Å; R227-E230 PolarHBondContact NE-OE2 2.88Å; R227-E230 IonicContact NH2-OE2 3.39Å; R227-E230 PolarHBondContact NH2-OE2 2.68Å; R227-E230 VanDerWaalsContact O-CB 3.31Å; R227-E230 WeakPolarHBondContact O-CB 3.5Å; R227-E230 PolarHBondContact O-N 3.45Å; R227-M231 HydrophobicContact CB-CE 3.95Å; R227-M231 WeakPolarHBondContact O-CE 3.24Å
228A90.8Very high94.8Very high20 Ų2052.1 Ų52.117%0.16526%0.262CS..G310 helixtrans-54.3-31.2-170.300000113.5Y224 E230 M231Y224-A228 HydrophobicContact CE1-CB 4.29Å; Y224-A228 WeakPolarHBondContact O-CA 3.32Å; Y224-A228 WeakPolarHBondContact O-CB 3.47Å; Y224-A228 PolarHBondContact O-N 3.39Å; A228-E230 VanDerWaalsContact C-N 3.26Å; A228-E230 PolarHBondContact O-N 3.18Å; A228-M231 PolarHBondContact O-N 2.87Å
229K88.4Confident94.8Very high214 Ų21452.1 Ų52.193%0.9326%0.261SS*.G310 helixtrans-71-15.3178.9-62.7-178.7-178.5176.70114.4R227 M231R227-K229 PolarHBondContact O-N 3.11Å; K229-M231 VanDerWaalsContact C-N 3.33Å
230E90.8Very high94.6Very high118 Ų11852.1 Ų52.155%0.55126%0.262SS*.G310 helixtrans-83.8-9.8-179.9-60.7171.6-161.800112.9R227 A228R227-E230 IonicContact CZ-OE2 2.71Å; R227-E230 VanDerWaalsContact CZ-OE2 3.31Å; R227-E230 IonicContact NE-OE1 2.83Å; R227-E230 IonicContact NE-OE2 2.75Å; R227-E230 PolarHBondContact NE-OE2 2.88Å; R227-E230 IonicContact NH2-OE2 3.39Å; R227-E230 PolarHBondContact NH2-OE2 2.68Å; R227-E230 VanDerWaalsContact O-CB 3.31Å; R227-E230 WeakPolarHBondContact O-CB 3.5Å; R227-E230 PolarHBondContact O-N 3.45Å; A228-E230 VanDerWaalsContact C-N 3.26Å; A228-E230 PolarHBondContact O-N 3.18Å
231M92.8Very high94.5Very high15 Ų1552.6 Ų52.67%0.07426%0.264CS..SBendtrans-129.4160.6-169.6-63.7165.5-83.400111.4V191 W217 L219 Y224 R227 A228 K229 F234V191-M231 HydrophobicContact CB-SD 4.42Å; V191-M231 HydrophobicContact CG1-SD 3.93Å; V191-M231 HydrophobicContact CG2-CB 4.04Å; V191-M231 HydrophobicContact CG2-CG 4.05Å; V191-M231 HydrophobicContact CG2-SD 3.55Å; V191-M231 VanDerWaalsContact CG2-SD 3.55Å; W217-M231 HydrophobicContact CB-SD 3.98Å; W217-M231 HydrophobicContact CD2-CG 4.04Å; W217-M231 HydrophobicContact CD2-SD 4.23Å; W217-M231 HydrophobicContact CE3-CG 4.47Å; W217-M231 HydrophobicContact CG-CG 4.2Å; W217-M231 HydrophobicContact CG-SD 3.84Å; L219-M231 HydrophobicContact CD1-CE 3.61Å; L219-M231 HydrophobicContact CD1-SD 3.66Å; Y224-M231 HydrophobicContact CD2-CE 3.56Å; Y224-M231 HydrophobicContact CD2-SD 4.18Å; Y224-M231 HydrophobicContact CE2-CE 3.78Å; Y224-M231 HydrophobicContact CE2-SD 4.23Å; R227-M231 HydrophobicContact CB-CE 3.95Å; R227-M231 WeakPolarHBondContact O-CE 3.24Å; A228-M231 PolarHBondContact O-N 2.87Å; K229-M231 VanDerWaalsContact C-N 3.33Å; M231-F234 HydrophobicContact CB-CE1 4.27Å; M231-F234 HydrophobicContact CB-CZ 3.65Å
232G90Very high94.5Very high22 Ų2250.4 Ų50.423%0.22726%0.255CS..  trans90.1-171.6-176.900000112.8
233P93Very high94.4Very high97 Ų9747.8 Ų47.863%0.6324%0.237SC*.  cis-62.9143.33.125.6-34.6000113.7
234F96.8Very high94.3Very high2 Ų253.1 Ų53.11%0.00926%0.26CS..EExtended strand (participates in β ladder)trans-98.1109.2176.8-50.5-68.3000111.3I165 I167 V191 Y224 M231 N252 L253 S254I165-F234 HydrophobicContact CB-CD1 4.16Å; I165-F234 HydrophobicContact CB-CE1 4.26Å; I165-F234 HydrophobicContact CG2-CD1 3.82Å; I165-F234 HydrophobicContact CG2-CE1 3.55Å; I167-F234 HydrophobicContact CB-CD1 3.84Å; I167-F234 HydrophobicContact CB-CD2 4.46Å; I167-F234 HydrophobicContact CB-CE1 4.03Å; I167-F234 HydrophobicContact CB-CG 4.06Å; I167-F234 HydrophobicContact CB-CZ 4.45Å; I167-F234 HydrophobicContact CD1-CE2 4.28Å; I167-F234 HydrophobicContact CD1-CZ 4.28Å; I167-F234 HydrophobicContact CG2-CB 4.01Å; I167-F234 HydrophobicContact CG2-CD1 4.11Å; I167-F234 HydrophobicContact CG2-CD2 4.19Å; I167-F234 HydrophobicContact CG2-CG 3.83Å; V191-F234 HydrophobicContact CB-CE1 4.07Å; V191-F234 HydrophobicContact CB-CZ 4.41Å; V191-F234 HydrophobicContact CG2-CE1 3.51Å; V191-F234 HydrophobicContact CG2-CZ 3.85Å; Y224-F234 HydrophobicContact CE2-CE2 4.47Å; Y224-F234 HydrophobicContact CE2-CZ 4.27Å; Y224-F234 VanDerWaalsContact OH-CE2 3.25Å; Y224-F234 WeakPolarHBondContact OH-CE2 3.45Å; M231-F234 HydrophobicContact CB-CE1 4.27Å; M231-F234 HydrophobicContact CB-CZ 3.65Å; F234-N252 HydrophobicContact CD2-CB 3.81Å; F234-N252 WeakPolarHBondContact CD2-O 3.38Å; F234-N252 HydrophobicContact CE2-CB 3.91Å; F234-L253 HydrophobicContact CB-CD2 4.5Å; F234-L253 WeakPolarHBondContact O-CA 3.3Å; F234-L253 WeakPolarHBondContact O-CD2 3.3Å; F234-S254 PolarHBondContact O-N 3.2Å; F234-S254 PolarHBondContact O-OG 3.01Å
235K96.2Very high94.1Very high72 Ų7254.1 Ų54.131%0.31327%0.266SS..EExtended strand (participates in β ladder)trans-79.1-27.2173-59.7175.9-174.3162.30112.3V158 L160 D164 G257 T258V158-K235 HydrophobicContact CG1-CB 3.81Å; L160-K235 HydrophobicContact CD2-CB 4.01Å; L160-K235 HydrophobicContact CD2-CD 4.36Å; D164-K235 VanDerWaalsContact CG-NZ 3.31Å; D164-K235 IonicContact OD1-NZ 2.64Å; D164-K235 PolarHBondContact OD1-NZ 3.02Å; D164-K235 VanDerWaalsContact OD1-NZ 3.08Å; D164-K235 IonicContact OD2-NZ 2.64Å; D164-K235 PolarHBondContact OD2-NZ 2.77Å; K235-G257 WeakPolarHBondContact O-CA 3.44Å; K235-T258 PolarHBondContact O-N 3.29Å
236L98.6Very high94.2Very high0 Ų049.2 Ų49.20%024%0.242CC..EExtended strand (participates in β ladder)trans-127.9131.6-178.8-179.863.4000110.6L154 F157 V158 L160 L166 I167 L238 T258 V260L154-L236 HydrophobicContact CD2-CD2 4.45Å; F157-L236 HydrophobicContact CB-CD1 4.41Å; V158-L236 HydrophobicContact CB-CB 4.27Å; V158-L236 HydrophobicContact CB-CD1 4.43Å; V158-L236 HydrophobicContact CG2-CB 4.28Å; V158-L236 HydrophobicContact CG2-CD1 3.98Å; L160-L236 HydrophobicContact CD1-CB 4.33Å; L160-L236 HydrophobicContact CD1-CD2 3.93Å; L160-L236 HydrophobicContact CD2-CB 4.31Å; L166-L236 WeakPolarHBondContact CA-O 3.42Å; L166-L236 HydrophobicContact CB-CB 4.09Å; L166-L236 HydrophobicContact CB-CD2 4.45Å; L166-L236 HydrophobicContact CB-CG 4.43Å; L166-L236 WeakPolarHBondContact CB-O 3.44Å; I167-L236 PolarHBondContact N-O 3.42Å; I167-L236 VanDerWaalsContact N-O 3.1Å; L236-L238 HydrophobicContact CD1-CD2 3.92Å; L236-L238 HydrophobicContact CD2-CD2 4.09Å; L236-L238 HydrophobicContact CG-CD2 3.96Å; L236-L238 HydrophobicContact CG-CG 4.38Å; L236-T258 WeakPolarHBondContact CA-O 3.39Å; L236-V260 HydrophobicContact CD1-CG2 3.75Å
237A98.5Very high94.2Very high0 Ų042 Ų420%021%0.209CC..EExtended strand (participates in β ladder)trans-121.7137.4168.100000111.2I167 L249 L253 T258 M259 V260I167-A237 HydrophobicContact CG2-CB 3.65Å; I167-A237 CarbonylContact O-C 3.49Å; I167-A237 WeakPolarHBondContact O-CA 3.43Å; A237-L249 HydrophobicContact CB-CB 3.99Å; A237-L249 HydrophobicContact CB-CD1 4.49Å; A237-L253 HydrophobicContact CB-CD2 3.71Å; A237-L253 HydrophobicContact CB-CG 4.23Å; A237-T258 PolarHBondContact N-O 2.91Å; A237-M259 HydrophobicContact CB-CB 4.1Å; A237-M259 HydrophobicContact CB-CG 4.04Å; A237-M259 CarbonylContact O-C 3.57Å; A237-M259 VanDerWaalsContact O-CA 3.29Å; A237-M259 WeakPolarHBondContact O-CA 3.38Å; A237-V260 PolarHBondContact O-N 3.37Å
238L98.8Very high94.1Very high0 Ų038.8 Ų38.80%020%0.199CC..EExtended strand (participates in β ladder)trans-115.2121.4-180-55.8-179.4000110.7L153 L166 I167 Q168 N169 V179 L236 L249 V260 Y262L153-L238 HydrophobicContact CB-CD1 4.2Å; L153-L238 HydrophobicContact CB-CD2 4.01Å; L153-L238 HydrophobicContact CD1-CD1 4.3Å; L153-L238 HydrophobicContact CD1-CD2 4.39Å; L153-L238 HydrophobicContact CD2-CD2 4.1Å; L153-L238 HydrophobicContact CG-CD2 4.39Å; L166-L238 HydrophobicContact CD1-CD1 3.87Å; L166-L238 HydrophobicContact CD1-CG 4.32Å; I167-L238 PolarHBondContact O-N 2.94Å; Q168-L238 VanDerWaalsContact CA-O 3.31Å; Q168-L238 WeakPolarHBondContact CA-O 2.97Å; Q168-L238 HydrophobicContact CB-CB 3.9Å; N169-L238 PolarHBondContact N-O 3.08Å; N169-L238 VanDerWaalsContact N-O 3.1Å; V179-L238 HydrophobicContact CB-CD1 4.44Å; V179-L238 HydrophobicContact CG1-CD1 3.74Å; V179-L238 HydrophobicContact CG2-CD1 3.79Å; L236-L238 HydrophobicContact CD1-CD2 3.92Å; L236-L238 HydrophobicContact CD2-CD2 4.09Å; L236-L238 HydrophobicContact CG-CD2 3.96Å; L236-L238 HydrophobicContact CG-CG 4.38Å; L238-L249 WeakPolarHBondContact O-CD1 3.42Å; L238-V260 HydrophobicContact CD2-CB 4.01Å; L238-V260 HydrophobicContact CD2-CG2 4.38Å; L238-Y262 HydrophobicContact CB-CE1 4.18Å
239N98.1Very high94.4Very high0 Ų037.9 Ų37.90%019%0.191CC..EExtended strand (participates in β ladder)trans-114.7123.9-176.2175.643.5000111.5N169 L241 G242 L249 M259 V260 T261 Y262 G263 M270N169-N239 PolarHBondContact ND2-OD1 2.88Å; N169-N239 WeakPolarHBondContact OD1-CA 3.36Å; N169-N239 PolarHBondContact OD1-OD1 3.31Å; N239-L241 PolarHBondContact OD1-N 2.81Å; N239-G242 PolarHBondContact OD1-N 3.1Å; N239-G242 VanDerWaalsContact OD1-N 3.13Å; N239-L249 HydrophobicContact CB-CD1 3.86Å; N239-M259 HydrophobicContact CB-CG 4.1Å; N239-M259 HydrophobicContact CB-SD 3.84Å; N239-V260 PolarHBondContact N-O 2.81Å; N239-T261 WeakPolarHBondContact ND2-CG2 3.31Å; N239-T261 PolarHBondContact ND2-OG1 3.17Å; N239-T261 WeakPolarHBondContact O-CA 3.36Å; N239-Y262 VanDerWaalsContact O-CD1 3.29Å; N239-Y262 WeakPolarHBondContact O-CD1 3.28Å; N239-Y262 PolarHBondContact O-N 3.09Å; N239-G263 PolarHBondContact O-N 3.13Å; N239-M270 PolarHBondContact ND2-SD 3.47Å
240C95.4Very high94.7Very high6 Ų627.7 Ų27.74%0.04115%0.147CC..SBendtrans-118.3-8.3171.9760000114.1N169 Y262 G263 G264 M265N169-C240 PolarHBondContact O-SG 2.88Å; N169-C240 PolarHBondContact OD1-N 3.16Å; C240-Y262 HydrophobicContact CB-CD2 4.41Å; C240-Y262 HydrophobicContact CB-CE1 3.85Å; C240-Y262 HydrophobicContact CB-CE2 3.69Å; C240-Y262 VanDerWaalsContact CB-CZ 3.41Å; C240-Y262 WeakPolarHBondContact CB-OH 3.34Å; C240-G263 CarbonylContact C-O 3.54Å; C240-G263 CarbonylContact O-C 3.6Å; C240-G264 PolarHBondContact O-N 3.27Å; C240-G264 VanDerWaalsContact O-N 3.17Å; C240-M265 WeakPolarHBondContact O-CG 3.22Å; C240-M265 PolarHBondContact O-N 3.27Å
241L93.9Very high94.7Very high13 Ų1327.7 Ų27.77%0.06815%0.145CC..SBendtrans-95.6-50.1-172.2-63-177.5000112.6N169 N239 P245 G264 M265 T266N169-L241 HydrophobicContact CB-CD1 3.99Å; N169-L241 HydrophobicContact CB-CG 4.4Å; N169-L241 PolarHBondContact OD1-N 3.22Å; N239-L241 PolarHBondContact OD1-N 2.81Å; L241-P245 HydrophobicContact CD1-CB 4.01Å; L241-P245 HydrophobicContact CD1-CG 4.36Å; L241-G264 CarbonylContact O-C 3.55Å; L241-M265 HydrophobicContact CD2-CB 4.2Å; L241-M265 PolarHBondContact O-N 3.07Å; L241-T266 HydrophobicContact CB-CG2 4.06Å; L241-T266 WeakPolarHBondContact O-CB 3.16Å; L241-T266 PolarHBondContact O-N 3.43Å; L241-T266 PolarHBondContact O-OG1 3.4Å
242G93Very high94.6Very high4 Ų429 Ų294%0.04115%0.152CC..  trans80.5-164.6-161.700000112.5N239N239-G242 PolarHBondContact OD1-N 3.1Å; N239-G242 VanDerWaalsContact OD1-N 3.13Å
243G93.1Very high94.9Very high4 Ų427.9 Ų27.94%0.04114%0.141CC..Hα-helixtrans61.8-159.7178.100000115.2P245 A246 N268 P269G243-P245 VanDerWaalsContact C-CD 3.47Å; G243-A246 WeakPolarHBondContact O-CB 3.2Å; G243-A246 PolarHBondContact O-N 3.25Å; G243-N268 PolarHBondContact N-O 2.95Å; G243-P269 VanDerWaalsContact CA-O 3.3Å; G243-P269 WeakPolarHBondContact CA-O 3.19Å
244K93.1Very high95Very high169 Ų16924.4 Ų24.474%0.73512%0.119SC*.Hα-helixtrans-57.8-36.8176.8-67.4-179.7179.6176.90114.3A246 S247 P271K244-A246 PolarHBondContact O-N 3.27Å; K244-S247 WeakPolarHBondContact O-CB 3.32Å; K244-S247 PolarHBondContact O-N 2.96Å; K244-P271 HydrophobicContact CG-CG 4.21Å
245P93.4Very high95Very high21 Ų2129.9 Ų29.914%0.13615%0.149CC..Hα-helixtrans-58-29.9176-29.537.6000113.9L241 G243 S247 I248L241-P245 HydrophobicContact CD1-CB 4.01Å; L241-P245 HydrophobicContact CD1-CG 4.36Å; G243-P245 VanDerWaalsContact C-CD 3.47Å; P245-S247 VanDerWaalsContact C-N 3.3Å; P245-S247 PolarHBondContact O-N 2.75Å; P245-I248 PolarHBondContact O-N 3.32Å
246A95.4Very high95.1Very high0 Ų030.1 Ų30.10%016%0.159CC..Hα-helixtrans-66.7-32.3174.500000112.4G243 K244 I248 L249 V250 M259 M270 L272G243-A246 WeakPolarHBondContact O-CB 3.2Å; G243-A246 PolarHBondContact O-N 3.25Å; K244-A246 PolarHBondContact O-N 3.27Å; A246-I248 VanDerWaalsContact C-N 3.29Å; A246-I248 PolarHBondContact O-N 3.09Å; A246-L249 WeakPolarHBondContact O-CB 3.19Å; A246-L249 PolarHBondContact O-N 3.46Å; A246-V250 PolarHBondContact O-N 3.05Å; A246-M259 HydrophobicContact CB-SD 4.49Å; A246-M270 HydrophobicContact CB-CB 4.35Å; A246-M270 HydrophobicContact CB-CG 3.88Å; A246-M270 HydrophobicContact CB-SD 3.67Å; A246-L272 HydrophobicContact CB-CD2 4.22Å
247S94.1Very high95Very high13 Ų1330.1 Ų30.19%0.09116%0.16CC..Hα-helixtrans-67.7-28.6177.8-50.30000112.6K244 P245 L249 K251 P271K244-S247 WeakPolarHBondContact O-CB 3.32Å; K244-S247 PolarHBondContact O-N 2.96Å; P245-S247 VanDerWaalsContact C-N 3.3Å; P245-S247 PolarHBondContact O-N 2.75Å; S247-L249 VanDerWaalsContact C-N 3.34Å; S247-K251 WeakPolarHBondContact O-CG 3.19Å; S247-K251 PolarHBondContact O-N 3.03Å; S247-P271 PolarHBondContact OG-O 3.39Å
248I93Very high95Very high25 Ų2530.9 Ų30.913%0.12816%0.164CC..Hα-helixtrans-62.3-44.8173.4-62.3175.3000109.8L193 E221 Y224 M225 P245 A246 N252L193-I248 HydrophobicContact CD1-CG2 4.22Å; E221-I248 HydrophobicContact CB-CD1 4.26Å; E221-I248 HydrophobicContact CG-CD1 4.38Å; Y224-I248 HydrophobicContact CD1-CG2 3.68Å; Y224-I248 HydrophobicContact CE1-CG2 3.51Å; M225-I248 HydrophobicContact SD-CD1 4.47Å; M225-I248 HydrophobicContact SD-CG1 4.35Å; M225-I248 HydrophobicContact SD-CG2 4.14Å; P245-I248 PolarHBondContact O-N 3.32Å; A246-I248 VanDerWaalsContact C-N 3.29Å; A246-I248 PolarHBondContact O-N 3.09Å; I248-N252 PolarHBondContact O-ND2 3.28Å
249L95.9Very high95Very high0 Ų030.9 Ų30.90%016%0.164CC..Hα-helixtrans-61.1-49.3179-58.7-177.3000111.4I167 N169 L193 A237 L238 N239 A246 S247 K251 N252 L253 M259I167-L249 HydrophobicContact CB-CD2 4.42Å; I167-L249 HydrophobicContact CD1-CD2 3.92Å; I167-L249 HydrophobicContact CG1-CD2 3.69Å; I167-L249 HydrophobicContact CG2-CD2 4.05Å; N169-L249 HydrophobicContact CB-CD1 4.24Å; N169-L249 HydrophobicContact CB-CD2 4.46Å; N169-L249 WeakPolarHBondContact ND2-CD1 3.22Å; L193-L249 HydrophobicContact CD1-CD2 4.12Å; A237-L249 HydrophobicContact CB-CB 3.99Å; A237-L249 HydrophobicContact CB-CD1 4.49Å; L238-L249 WeakPolarHBondContact O-CD1 3.42Å; N239-L249 HydrophobicContact CB-CD1 3.86Å; A246-L249 WeakPolarHBondContact O-CB 3.19Å; A246-L249 PolarHBondContact O-N 3.46Å; S247-L249 VanDerWaalsContact C-N 3.34Å; L249-K251 PolarHBondContact O-N 2.88Å; L249-N252 PolarHBondContact O-N 3.21Å; L249-L253 PolarHBondContact O-N 3.24Å; L249-M259 HydrophobicContact CB-SD 3.96Å; L249-M259 HydrophobicContact CD1-SD 4.05Å
250V95.2Very high95.1Very high0 Ų030.9 Ų30.90%016%0.164CC..Hα-helixtrans-60.2-41.2-178.3158.60000113A246 N252 L253 M259 L272 P273 P276 I282 L284A246-V250 PolarHBondContact O-N 3.05Å; V250-N252 PolarHBondContact O-N 3.18Å; V250-L253 PolarHBondContact O-N 3.04Å; V250-M259 HydrophobicContact CG2-CB 4.49Å; V250-M259 HydrophobicContact CG2-CE 3.64Å; V250-M259 HydrophobicContact CG2-SD 3.81Å; V250-L272 HydrophobicContact CB-CD2 4.35Å; V250-L272 HydrophobicContact CG2-CD1 4.27Å; V250-L272 HydrophobicContact CG2-CD2 3.87Å; V250-P273 HydrophobicContact CG1-CG 3.89Å; V250-P276 HydrophobicContact CG1-CB 4.09Å; V250-P276 HydrophobicContact CG1-CG 4.12Å; V250-I282 HydrophobicContact CB-CD1 4.33Å; V250-I282 HydrophobicContact CG1-CD1 3.46Å; V250-I282 VanDerWaalsContact CG1-CD1 3.46Å; V250-I282 HydrophobicContact CG2-CD1 4.25Å; V250-L284 HydrophobicContact CG2-CD2 4.02Å
251K91.1Very high95.2Very high118 Ų11832.1 Ų32.151%0.51317%0.172SC..Hα-helixtrans-60.4-33-179.7-75.8176.3179.9-176.90112.8S247 L249 P273 K280S247-K251 WeakPolarHBondContact O-CG 3.19Å; S247-K251 PolarHBondContact O-N 3.03Å; L249-K251 PolarHBondContact O-N 2.88Å; K251-P273 HydrophobicContact CG-CG 3.86Å; K251-K280 PolarHBondContact O-NZ 2.54Å
252N90.1Very high95.4Very high42 Ų4233.4 Ų33.423%0.22518%0.176CC..Hα-helixtrans-96.9-8.3-171-68.7-75.8000113.8Y224 F234 I248 L249 V250 S254Y224-N252 WeakPolarHBondContact OH-CB 3.37Å; Y224-N252 PolarHBondContact OH-ND2 3.21Å; Y224-N252 PolarHBondContact OH-OD1 2.99Å; F234-N252 HydrophobicContact CD2-CB 3.81Å; F234-N252 WeakPolarHBondContact CD2-O 3.38Å; F234-N252 HydrophobicContact CE2-CB 3.91Å; I248-N252 PolarHBondContact O-ND2 3.28Å; L249-N252 PolarHBondContact O-N 3.21Å; V250-N252 PolarHBondContact O-N 3.18Å; N252-S254 PolarHBondContact O-N 3.33Å
253L96.2Very high95.4Very high0 Ų034.3 Ų34.30%019%0.186CC..EExtended strand (participates in β ladder)trans-54.2142.4170.6-76.8174000111.4F234 A237 L249 V250 M259 K280 I282F234-L253 HydrophobicContact CB-CD2 4.5Å; F234-L253 WeakPolarHBondContact O-CA 3.3Å; F234-L253 WeakPolarHBondContact O-CD2 3.3Å; A237-L253 HydrophobicContact CB-CD2 3.71Å; A237-L253 HydrophobicContact CB-CG 4.23Å; L249-L253 PolarHBondContact O-N 3.24Å; V250-L253 PolarHBondContact O-N 3.04Å; L253-M259 HydrophobicContact CD1-CB 4.06Å; L253-K280 WeakPolarHBondContact O-CD 3.47Å; L253-K280 PolarHBondContact O-NZ 3.44Å; L253-I282 HydrophobicContact CB-CG2 3.92Å; L253-I282 HydrophobicContact CD1-CB 4.2Å; L253-I282 HydrophobicContact CD1-CD1 4.42Å; L253-I282 HydrophobicContact CD1-CG2 4.13Å
254S96.2Very high95.4Very high24 Ų2436.2 Ų36.217%0.16821%0.205CC..EExtended strand (participates in β ladder)trans-73.1173.9170.1650000111.3F234 N252 S256 G257F234-S254 PolarHBondContact O-N 3.2Å; F234-S254 PolarHBondContact O-OG 3.01Å; N252-S254 PolarHBondContact O-N 3.33Å; S254-S256 PolarHBondContact O-N 3.35Å; S254-G257 WeakPolarHBondContact O-CA 3.42Å; S254-G257 PolarHBondContact O-N 3.44Å
255N96.8Very high95.2Very high117 Ų11730.6 Ų30.663%0.62618%0.182SC*.EExtended strand (participates in β ladder)trans-53.5137.8170.2-67.47.1000110.3G257 K280N255-G257 PolarHBondContact O-N 2.64Å; N255-K280 CarbonylContact C-O 3.43Å; N255-K280 VanDerWaalsContact CA-O 3.3Å; N255-K280 WeakPolarHBondContact CA-O 3.39Å
256S97Very high94.9Very high76 Ų7630 Ų3053%0.53118%0.178SC..EExtended strand (participates in β ladder)trans54.619-175.3-52.20000114.3S254 K280 D281S254-S256 PolarHBondContact O-N 3.35Å; S256-K280 PolarHBondContact N-O 3.06Å; S256-D281 WeakPolarHBondContact CA-O 3.45Å; S256-D281 PolarHBondContact OG-OD2 2.64Å
257G97.8Very high94.5Very high1 Ų138 Ų381%0.0121%0.208CC..EExtended strand (participates in β ladder)trans-68150177.700000111.8K235 S254 N255 I282 S283K235-G257 WeakPolarHBondContact O-CA 3.44Å; S254-G257 WeakPolarHBondContact O-CA 3.42Å; S254-G257 PolarHBondContact O-N 3.44Å; N255-G257 PolarHBondContact O-N 2.64Å; G257-I282 VanDerWaalsContact O-CA 3.29Å; G257-I282 WeakPolarHBondContact O-CA 3.24Å; G257-I282 WeakPolarHBondContact O-CB 3.46Å; G257-S283 PolarHBondContact O-N 3.48Å
258T98.5Very high94.3Very high16 Ų1642 Ų4210%0.09823%0.229CC..EExtended strand (participates in β ladder)trans-117130.2-179.1-63.20000111.5K235 L236 A237 V260 S283 R285K235-T258 PolarHBondContact O-N 3.29Å; L236-T258 WeakPolarHBondContact CA-O 3.39Å; A237-T258 PolarHBondContact N-O 2.91Å; T258-V260 HydrophobicContact CG2-CG2 4.03Å; T258-S283 CarbonylContact C-O 3.44Å; T258-S283 VanDerWaalsContact CA-O 3.3Å; T258-S283 WeakPolarHBondContact CA-O 3.35Å; T258-R285 HydrophobicContact CG2-CB 4.39Å; T258-R285 HydrophobicContact CG2-CG 3.86Å
259M98.4Very high94.4Very high0 Ų046.3 Ų46.30%026%0.258CS..EExtended strand (participates in β ladder)trans-97.3123.9163-175.317867.200110.2A237 N239 A246 L249 V250 L253 M270 L272 S283 L284 R285A237-M259 HydrophobicContact CB-CB 4.1Å; A237-M259 HydrophobicContact CB-CG 4.04Å; A237-M259 CarbonylContact O-C 3.57Å; A237-M259 VanDerWaalsContact O-CA 3.29Å; A237-M259 WeakPolarHBondContact O-CA 3.38Å; N239-M259 HydrophobicContact CB-CG 4.1Å; N239-M259 HydrophobicContact CB-SD 3.84Å; A246-M259 HydrophobicContact CB-SD 4.49Å; L249-M259 HydrophobicContact CB-SD 3.96Å; L249-M259 HydrophobicContact CD1-SD 4.05Å; V250-M259 HydrophobicContact CG2-CB 4.49Å; V250-M259 HydrophobicContact CG2-CE 3.64Å; V250-M259 HydrophobicContact CG2-SD 3.81Å; L253-M259 HydrophobicContact CD1-CB 4.06Å; M259-M270 HydrophobicContact CE-SD 4.19Å; M259-L272 HydrophobicContact CE-CD1 4.05Å; M259-L272 HydrophobicContact CE-CD2 4.38Å; M259-S283 PolarHBondContact N-O 2.7Å; M259-L284 HydrophobicContact CB-CD2 3.75Å; M259-L284 HydrophobicContact CE-CD2 3.65Å; M259-R285 PolarHBondContact O-N 2.95Å
260V98.7Very high94.2Very high0 Ų049.7 Ų49.70%028%0.275CS..EExtended strand (participates in β ladder)trans-102.2117.4173.8-1700000109.4L153 F157 L236 A237 L238 N239 T258 R285 F287L153-V260 HydrophobicContact CD2-CB 4.08Å; L153-V260 HydrophobicContact CD2-CG1 3.45Å; L153-V260 VanDerWaalsContact CD2-CG1 3.45Å; F157-V260 HydrophobicContact CB-CG2 3.72Å; F157-V260 HydrophobicContact CD1-CB 4.49Å; F157-V260 HydrophobicContact CD1-CG1 4.11Å; F157-V260 HydrophobicContact CD1-CG2 3.52Å; F157-V260 HydrophobicContact CD2-CG1 4.2Å; F157-V260 HydrophobicContact CD2-CG2 3.94Å; F157-V260 HydrophobicContact CE1-CG1 3.81Å; F157-V260 HydrophobicContact CE1-CG2 4.1Å; F157-V260 HydrophobicContact CE2-CG1 3.92Å; F157-V260 HydrophobicContact CE2-CG2 4.47Å; F157-V260 HydrophobicContact CG-CG1 4.3Å; F157-V260 HydrophobicContact CG-CG2 3.43Å; F157-V260 VanDerWaalsContact CG-CG2 3.43Å; F157-V260 HydrophobicContact CZ-CG1 3.72Å; L236-V260 HydrophobicContact CD1-CG2 3.75Å; A237-V260 PolarHBondContact O-N 3.37Å; L238-V260 HydrophobicContact CD2-CB 4.01Å; L238-V260 HydrophobicContact CD2-CG2 4.38Å; N239-V260 PolarHBondContact N-O 2.81Å; T258-V260 HydrophobicContact CG2-CG2 4.03Å; V260-R285 CarbonylContact C-O 3.1Å; V260-R285 WeakPolarHBondContact CA-O 3.47Å; V260-F287 HydrophobicContact CG1-CB 3.64Å
261T98.3Very high94.1Very high31 Ų3153.5 Ų53.519%0.1930%0.299CS..EExtended strand (participates in β ladder)trans-96.6117.1174.5-61.40000109.7N239 G263 R285 G286 F287N239-T261 WeakPolarHBondContact ND2-CG2 3.31Å; N239-T261 PolarHBondContact ND2-OG1 3.17Å; N239-T261 WeakPolarHBondContact O-CA 3.36Å; T261-G263 WeakPolarHBondContact CG2-O 3.48Å; T261-R285 PolarHBondContact N-O 2.86Å; T261-G286 CarbonylContact O-C 3.47Å; T261-G286 WeakPolarHBondContact O-CA 3.06Å; T261-F287 PolarHBondContact O-N 3.16Å
262Y97.7Very high94.2Very high40 Ų4049.5 Ų49.516%0.15728%0.283CS..  trans-119.9-4.3-179.271-89.5000113.4T149 L153 V175 L238 N239 C240 F287T149-Y262 HydrophobicContact CG2-CD2 4.05Å; T149-Y262 HydrophobicContact CG2-CG 4.45Å; L153-Y262 HydrophobicContact CD1-CD1 3.46Å; L153-Y262 VanDerWaalsContact CD1-CD1 3.46Å; L153-Y262 HydrophobicContact CD1-CD2 4.29Å; L153-Y262 HydrophobicContact CD1-CE1 3.69Å; L153-Y262 HydrophobicContact CD1-CE2 4.49Å; L153-Y262 HydrophobicContact CD1-CG 3.76Å; L153-Y262 HydrophobicContact CD2-CD1 4.2Å; L153-Y262 HydrophobicContact CD2-CG 4.42Å; L153-Y262 HydrophobicContact CG-CD1 4.48Å; V175-Y262 HydrophobicContact CB-CE2 3.64Å; V175-Y262 HydrophobicContact CG1-CD2 4.22Å; V175-Y262 HydrophobicContact CG1-CE1 4.45Å; V175-Y262 HydrophobicContact CG1-CE2 3.47Å; V175-Y262 VanDerWaalsContact CG1-CE2 3.47Å; V175-Y262 HydrophobicContact CG2-CE2 3.88Å; L238-Y262 HydrophobicContact CB-CE1 4.18Å; N239-Y262 VanDerWaalsContact O-CD1 3.29Å; N239-Y262 WeakPolarHBondContact O-CD1 3.28Å; N239-Y262 PolarHBondContact O-N 3.09Å; C240-Y262 HydrophobicContact CB-CD2 4.41Å; C240-Y262 HydrophobicContact CB-CE1 3.85Å; C240-Y262 HydrophobicContact CB-CE2 3.69Å; C240-Y262 VanDerWaalsContact CB-CZ 3.41Å; C240-Y262 WeakPolarHBondContact CB-OH 3.34Å; Y262-F287 WeakPolarHBondContact CA-O 3.44Å
263G94.6Very high94.3Very high24 Ų2449.2 Ų49.225%0.24728%0.284CS..  trans-150.5166.9176.600000111.4N239 C240 T261N239-G263 PolarHBondContact O-N 3.13Å; C240-G263 CarbonylContact C-O 3.54Å; C240-G263 CarbonylContact O-C 3.6Å; T261-G263 WeakPolarHBondContact CG2-O 3.48Å
264G92.8Very high94.3Very high43 Ų4354 Ų5444%0.44331%0.313SS..  trans-145.852.9178.600000110.8C240 L241 T266 R267C240-G264 PolarHBondContact O-N 3.27Å; C240-G264 VanDerWaalsContact O-N 3.17Å; L241-G264 CarbonylContact O-C 3.55Å; G264-T266 PolarHBondContact O-N 3.37Å; G264-R267 PolarHBondContact O-N 3.33Å
265M87.3Confident94.3Very high51 Ų5154.1 Ų54.125%0.25132%0.319SS..THydrogen-bonded Turntrans-59.4-30.7-170.8-67.2-56.6-58.800113.6P63 C240 L241 R267 F339P63-M265 HydrophobicContact CB-CE 4.32Å; P63-M265 HydrophobicContact CB-SD 4.25Å; P63-M265 HydrophobicContact CG-CE 4.28Å; P63-M265 HydrophobicContact CG-SD 4.4Å; C240-M265 WeakPolarHBondContact O-CG 3.22Å; C240-M265 PolarHBondContact O-N 3.27Å; L241-M265 HydrophobicContact CD2-CB 4.2Å; L241-M265 PolarHBondContact O-N 3.07Å; M265-R267 VanDerWaalsContact C-N 3.29Å; M265-F339 HydrophobicContact CB-CE2 4.39Å; M265-F339 HydrophobicContact CB-CZ 4.35Å; M265-F339 HydrophobicContact CE-CB 4.05Å; M265-F339 HydrophobicContact CE-CD1 4.38Å; M265-F339 HydrophobicContact CE-CD2 3.42Å; M265-F339 VanDerWaalsContact CE-CD2 3.42Å; M265-F339 HydrophobicContact CE-CE2 3.91Å; M265-F339 HydrophobicContact CE-CG 3.69Å; M265-F339 VanDerWaalsContact O-CE1 3.3Å; M265-F339 WeakPolarHBondContact O-CE1 3.5Å
266T88.2Confident94.2Very high10 Ų1049.3 Ų49.36%0.06129%0.294CS..THydrogen-bonded Turntrans-80.3-10.5177.366.10000113.5L241 G264 N268L241-T266 HydrophobicContact CB-CG2 4.06Å; L241-T266 WeakPolarHBondContact O-CB 3.16Å; L241-T266 PolarHBondContact O-N 3.43Å; L241-T266 PolarHBondContact O-OG1 3.4Å; G264-T266 PolarHBondContact O-N 3.37Å; T266-N268 PolarHBondContact O-N 2.82Å; T266-N268 PolarHBondContact O-ND2 2.88Å
267R87.3Confident94.2Very high166 Ų16649.5 Ų49.563%0.62629%0.285SS*.  trans54.315.5-176.1-56.2178.9176.3-165-4.7114.4N67 G264 M265N67-R267 PolarHBondContact OD1-NH2 3.33Å; G264-R267 PolarHBondContact O-N 3.33Å; M265-R267 VanDerWaalsContact C-N 3.29Å
268N90.4Very high94.1Very high98 Ų9854.8 Ų54.852%0.52431%0.312SS..  trans-94.9141-179-71.4-40000111.4G243 T266G243-N268 PolarHBondContact N-O 2.95Å; T266-N268 PolarHBondContact O-N 2.82Å; T266-N268 PolarHBondContact O-ND2 2.88Å
269P93.2Very high94.1Very high115 Ų11561.9 Ų61.975%0.74734%0.342SS*.  trans-53.2151.6166.4-23.733.4000111.7G243 P271G243-P269 VanDerWaalsContact CA-O 3.3Å; G243-P269 WeakPolarHBondContact CA-O 3.19Å; P269-P271 VanDerWaalsContact O-CD 3.24Å; P269-P271 WeakPolarHBondContact O-CD 3.46Å
270M92.8Very high94Very high71 Ų7165 Ų6535%0.3536%0.355SS..  trans-95.7106.5179.8-62-175.3-67.500110.4N239 A246 M259 L272N239-M270 PolarHBondContact ND2-SD 3.47Å; A246-M270 HydrophobicContact CB-CB 4.35Å; A246-M270 HydrophobicContact CB-CG 3.88Å; A246-M270 HydrophobicContact CB-SD 3.67Å; M259-M270 HydrophobicContact CE-SD 4.19Å; M270-L272 VanDerWaalsContact C-N 3.27Å; M270-L272 HydrophobicContact CB-CD1 4.17Å; M270-L272 HydrophobicContact CB-CD2 3.88Å; M270-L272 HydrophobicContact CB-CG 3.79Å; M270-L272 HydrophobicContact CE-CD1 4.45Å; M270-L272 PolarHBondContact O-N 3.47Å
271P91.9Very high93.9Very high80 Ų8070 Ų7052%0.51938%0.382SS..  trans-79.975177.633.8-34.7000110.2K244 S247 P269K244-P271 HydrophobicContact CG-CG 4.21Å; S247-P271 PolarHBondContact OG-O 3.39Å; P269-P271 VanDerWaalsContact O-CD 3.24Å; P269-P271 WeakPolarHBondContact O-CD 3.46Å
272L94.3Very high93.9Very high34 Ų3468.9 Ų68.918%0.17838%0.375CS..  trans-81.1136.3-172.8-56.8-179.7000111.3A246 V250 M259 M270 F277 L284A246-L272 HydrophobicContact CB-CD2 4.22Å; V250-L272 HydrophobicContact CB-CD2 4.35Å; V250-L272 HydrophobicContact CG2-CD1 4.27Å; V250-L272 HydrophobicContact CG2-CD2 3.87Å; M259-L272 HydrophobicContact CE-CD1 4.05Å; M259-L272 HydrophobicContact CE-CD2 4.38Å; M270-L272 VanDerWaalsContact C-N 3.27Å; M270-L272 HydrophobicContact CB-CD1 4.17Å; M270-L272 HydrophobicContact CB-CD2 3.88Å; M270-L272 HydrophobicContact CB-CG 3.79Å; M270-L272 HydrophobicContact CE-CD1 4.45Å; M270-L272 PolarHBondContact O-N 3.47Å; L272-F277 HydrophobicContact CB-CE2 4.2Å; L272-F277 HydrophobicContact CB-CZ 4.49Å; L272-F277 HydrophobicContact CD1-CZ 4.44Å; L272-L284 HydrophobicContact CD1-CD1 3.25Å; L272-L284 HydrophobicContact CD1-CD2 4.39Å; L272-L284 HydrophobicContact CD1-CG 4.46Å
273P92.7Very high93.9Very high37 Ų3769.6 Ų69.624%0.2439%0.386CS..  trans-69.3137.7177.829.1-34.5000110.9V250 K251 P276 F277V250-P273 HydrophobicContact CG1-CG 3.89Å; K251-P273 HydrophobicContact CG-CG 3.86Å; P273-P276 HydrophobicContact CG-CG 4.05Å; P273-P276 WeakPolarHBondContact O-CD 3.33Å; P273-F277 VanDerWaalsContact O-CD2 3.3Å; P273-F277 WeakPolarHBondContact O-CD2 3.48Å; P273-F277 WeakPolarHBondContact O-CE2 3.48Å
274V94.9Very high94Very high99 Ų9971.4 Ų71.460%0.639%0.389SS*.SBendtrans-71.8-33.1-178.6-179.20000112.2F277 I278V274-F277 WeakPolarHBondContact O-CB 3.31Å; V274-F277 PolarHBondContact O-N 3.45Å; V274-I278 HydrophobicContact CG1-CD1 3.72Å; V274-I278 HydrophobicContact CG1-CG1 4.15Å; V274-I278 PolarHBondContact O-N 3.09Å
275G96.4Very high94.3Very high28 Ų2876 Ų7629%0.28939%0.393SS..Hα-helixtrans-51.2-51-175.400000114.7F277 I278 F279G275-F277 VanDerWaalsContact C-N 3.25Å; G275-F277 PolarHBondContact O-N 3.49Å; G275-I278 PolarHBondContact O-N 2.97Å; G275-I278 VanDerWaalsContact O-N 3.14Å; G275-F279 VanDerWaalsContact O-CD2 3.27Å; G275-F279 WeakPolarHBondContact O-CD2 3.42Å; G275-F279 PolarHBondContact O-N 2.88Å
276P95.9Very high94.8Very high16 Ų1676.7 Ų76.710%0.10441%0.413CS..Hα-helixtrans-55.4-32.5175.3-31.938.7000115.2V250 P273 K280 D281 I282V250-P276 HydrophobicContact CG1-CB 4.09Å; V250-P276 HydrophobicContact CG1-CG 4.12Å; P273-P276 HydrophobicContact CG-CG 4.05Å; P273-P276 WeakPolarHBondContact O-CD 3.33Å; P276-K280 HydrophobicContact CB-CD 4.49Å; P276-K280 CarbonylContact O-C 3.48Å; P276-K280 WeakPolarHBondContact O-CA 3.38Å; P276-K280 VanDerWaalsContact O-CB 3.29Å; P276-K280 WeakPolarHBondContact O-CB 3.29Å; P276-K280 PolarHBondContact O-N 3.29Å; P276-D281 PolarHBondContact O-N 2.83Å; P276-I282 HydrophobicContact CB-CD1 3.62Å; P276-I282 HydrophobicContact CB-CG1 4.07Å; P276-I282 HydrophobicContact CB-CG2 4.21Å; P276-I282 PolarHBondContact O-N 2.96Å
277F95.9Very high95.2Very high79 Ų7977 Ų7735%0.34641%0.414SS..Hα-helixtrans-68-42.7176.8-65.7-97.8000111.6L272 P273 V274 G275 D281 I282 L284L272-F277 HydrophobicContact CB-CE2 4.2Å; L272-F277 HydrophobicContact CB-CZ 4.49Å; L272-F277 HydrophobicContact CD1-CZ 4.44Å; P273-F277 VanDerWaalsContact O-CD2 3.3Å; P273-F277 WeakPolarHBondContact O-CD2 3.48Å; P273-F277 WeakPolarHBondContact O-CE2 3.48Å; V274-F277 WeakPolarHBondContact O-CB 3.31Å; V274-F277 PolarHBondContact O-N 3.45Å; G275-F277 VanDerWaalsContact C-N 3.25Å; G275-F277 PolarHBondContact O-N 3.49Å; F277-D281 PolarHBondContact O-N 2.93Å; F277-I282 HydrophobicContact CD1-CD1 4.45Å; F277-I282 HydrophobicContact CD1-CG1 4.01Å; F277-I282 HydrophobicContact CD2-CD1 4.19Å; F277-I282 HydrophobicContact CD2-CG1 4.35Å; F277-I282 HydrophobicContact CE1-CG1 4.44Å; F277-I282 HydrophobicContact CE2-CD1 4.25Å; F277-I282 HydrophobicContact CG-CD1 4.34Å; F277-I282 HydrophobicContact CG-CG1 4.01Å; F277-I282 HydrophobicContact CZ-CD1 4.46Å; F277-L284 HydrophobicContact CE1-CD1 3.67Å; F277-L284 HydrophobicContact CE1-CG 3.75Å; F277-L284 HydrophobicContact CZ-CD1 3.41Å; F277-L284 VanDerWaalsContact CZ-CD1 3.41Å; F277-L284 HydrophobicContact CZ-CG 3.92Å
278I96.9Very high95.7Very high113 Ų11373.2 Ų73.258%0.57940%0.399SS*.Hα-helixtrans-75.8-48.6-176.9-59.8175.9000110.8V274 G275V274-I278 HydrophobicContact CG1-CD1 3.72Å; V274-I278 HydrophobicContact CG1-CG1 4.15Å; V274-I278 PolarHBondContact O-N 3.09Å; G275-I278 PolarHBondContact O-N 2.97Å; G275-I278 VanDerWaalsContact O-N 3.14Å
279F97Very high96Very high165 Ų16569 Ų6972%0.72438%0.377SS*.Hα-helixtrans-101.4-11.9-165.7-54.7-62.2000114.2G275G275-F279 VanDerWaalsContact O-CD2 3.27Å; G275-F279 WeakPolarHBondContact O-CD2 3.42Å; G275-F279 PolarHBondContact O-N 2.88Å
280K96.8Very high96Very high66 Ų6663.7 Ų63.729%0.28734%0.342SS..Hα-helixtrans-122.21.8175.5-61.6-178.2172.1-173.30113K251 L253 N255 S256 P276 I282K251-K280 PolarHBondContact O-NZ 2.54Å; L253-K280 WeakPolarHBondContact O-CD 3.47Å; L253-K280 PolarHBondContact O-NZ 3.44Å; N255-K280 CarbonylContact C-O 3.43Å; N255-K280 VanDerWaalsContact CA-O 3.3Å; N255-K280 WeakPolarHBondContact CA-O 3.39Å; S256-K280 PolarHBondContact N-O 3.06Å; P276-K280 HydrophobicContact CB-CD 4.49Å; P276-K280 CarbonylContact O-C 3.48Å; P276-K280 WeakPolarHBondContact O-CA 3.38Å; P276-K280 VanDerWaalsContact O-CB 3.29Å; P276-K280 WeakPolarHBondContact O-CB 3.29Å; P276-K280 PolarHBondContact O-N 3.29Å; K280-I282 HydrophobicContact CB-CG2 3.93Å; K280-I282 PolarHBondContact O-N 3.09Å
281D97.3Very high96.1Very high103 Ų10362 Ų6255%0.55134%0.337SS*.  trans51.440.4179.6-176.742.8000113S256 P276 F277S256-D281 WeakPolarHBondContact CA-O 3.45Å; S256-D281 PolarHBondContact OG-OD2 2.64Å; P276-D281 PolarHBondContact O-N 2.83Å; F277-D281 PolarHBondContact O-N 2.93Å
282I97.5Very high96.3Very high9 Ų959.6 Ų59.65%0.04632%0.319CS..  trans-71.3148.7-178.466.8165.7000111.7V250 L253 G257 P276 F277 K280 L284V250-I282 HydrophobicContact CB-CD1 4.33Å; V250-I282 HydrophobicContact CG1-CD1 3.46Å; V250-I282 VanDerWaalsContact CG1-CD1 3.46Å; V250-I282 HydrophobicContact CG2-CD1 4.25Å; L253-I282 HydrophobicContact CB-CG2 3.92Å; L253-I282 HydrophobicContact CD1-CB 4.2Å; L253-I282 HydrophobicContact CD1-CD1 4.42Å; L253-I282 HydrophobicContact CD1-CG2 4.13Å; G257-I282 VanDerWaalsContact O-CA 3.29Å; G257-I282 WeakPolarHBondContact O-CA 3.24Å; G257-I282 WeakPolarHBondContact O-CB 3.46Å; P276-I282 HydrophobicContact CB-CD1 3.62Å; P276-I282 HydrophobicContact CB-CG1 4.07Å; P276-I282 HydrophobicContact CB-CG2 4.21Å; P276-I282 PolarHBondContact O-N 2.96Å; F277-I282 HydrophobicContact CD1-CD1 4.45Å; F277-I282 HydrophobicContact CD1-CG1 4.01Å; F277-I282 HydrophobicContact CD2-CD1 4.19Å; F277-I282 HydrophobicContact CD2-CG1 4.35Å; F277-I282 HydrophobicContact CE1-CG1 4.44Å; F277-I282 HydrophobicContact CE2-CD1 4.25Å; F277-I282 HydrophobicContact CG-CD1 4.34Å; F277-I282 HydrophobicContact CG-CG1 4.01Å; F277-I282 HydrophobicContact CZ-CD1 4.46Å; K280-I282 HydrophobicContact CB-CG2 3.93Å; K280-I282 PolarHBondContact O-N 3.09Å; I282-L284 HydrophobicContact CD1-CD2 4.48Å
283S97.6Very high96.2Very high55 Ų5558.6 Ų58.639%0.38531%0.314SS..EExtended strand (participates in β ladder)trans-110.2140.9174.7-77.60000112G257 T258 M259G257-S283 PolarHBondContact O-N 3.48Å; T258-S283 CarbonylContact C-O 3.44Å; T258-S283 VanDerWaalsContact CA-O 3.3Å; T258-S283 WeakPolarHBondContact CA-O 3.35Å; M259-S283 PolarHBondContact N-O 2.7Å
284L97.7Very high96.2Very high62 Ų6262.7 Ų62.733%0.32533%0.333SS..EExtended strand (participates in β ladder)trans-113.9129.3171.4-57.6-171.7000110.2V250 M259 L272 F277 I282V250-L284 HydrophobicContact CG2-CD2 4.02Å; M259-L284 HydrophobicContact CB-CD2 3.75Å; M259-L284 HydrophobicContact CE-CD2 3.65Å; L272-L284 HydrophobicContact CD1-CD1 3.25Å; L272-L284 HydrophobicContact CD1-CD2 4.39Å; L272-L284 HydrophobicContact CD1-CG 4.46Å; F277-L284 HydrophobicContact CE1-CD1 3.67Å; F277-L284 HydrophobicContact CE1-CG 3.75Å; F277-L284 HydrophobicContact CZ-CD1 3.41Å; F277-L284 VanDerWaalsContact CZ-CD1 3.41Å; F277-L284 HydrophobicContact CZ-CG 3.92Å; I282-L284 HydrophobicContact CD1-CD2 4.48Å
285R97.9Very high96.1Very high140 Ų14065.7 Ų65.753%0.52833%0.333SS..EExtended strand (participates in β ladder)trans-130.3137.7-177.7-62.2-65.8-63.9-82.2-4.1110.5F157 T258 M259 V260 T261F157-R285 HydrophobicContact CD1-CB 4.12Å; F157-R285 HydrophobicContact CD1-CG 4.4Å; F157-R285 HydrophobicContact CE1-CB 4Å; T258-R285 HydrophobicContact CG2-CB 4.39Å; T258-R285 HydrophobicContact CG2-CG 3.86Å; M259-R285 PolarHBondContact O-N 2.95Å; V260-R285 CarbonylContact C-O 3.1Å; V260-R285 WeakPolarHBondContact CA-O 3.47Å; T261-R285 PolarHBondContact N-O 2.86Å
286G97.5Very high96Very high64 Ų6466.5 Ų66.566%0.6633%0.33SS*.EExtended strand (participates in β ladder)trans-86.7142.3165.300000110.6T261T261-G286 CarbonylContact O-C 3.47Å; T261-G286 WeakPolarHBondContact O-CA 3.06Å
287F98.2Very high95.9Very high18 Ų1867.9 Ų67.98%0.07934%0.34CS..  trans-128125.3170.6-177.5-123.8000111.3T149 H152 L153 F157 V260 T261 Y262 L289 F292T149-F287 HydrophobicContact CG2-CD1 4.23Å; T149-F287 HydrophobicContact CG2-CE1 3.99Å; H152-F287 HydrophobicContact CB-CE1 4.01Å; H152-F287 HydrophobicContact CB-CE2 4.34Å; H152-F287 HydrophobicContact CB-CZ 3.51Å; L153-F287 HydrophobicContact CD2-CB 4.06Å; L153-F287 HydrophobicContact CD2-CD1 3.53Å; L153-F287 HydrophobicContact CD2-CE1 4.3Å; L153-F287 HydrophobicContact CD2-CG 4.06Å; L153-F287 HydrophobicContact CG-CD1 3.95Å; L153-F287 HydrophobicContact CG-CE1 4.28Å; F157-F287 HydrophobicContact CE2-CB 4.16Å; F157-F287 HydrophobicContact CE2-CD1 4.5Å; F157-F287 AromaticContact CE2-CD2 3.88Å; F157-F287 HydrophobicContact CE2-CD2 3.88Å; F157-F287 HydrophobicContact CE2-CE2 4.4Å; F157-F287 AromaticContact CE2-CG 3.92Å; F157-F287 HydrophobicContact CE2-CG 3.92Å; F157-F287 HydrophobicContact CZ-CB 3.62Å; F157-F287 AromaticContact CZ-CD2 3.53Å; F157-F287 HydrophobicContact CZ-CD2 3.53Å; F157-F287 HydrophobicContact CZ-CE2 4.38Å; F157-F287 AromaticContact CZ-CG 3.7Å; F157-F287 HydrophobicContact CZ-CG 3.7Å; V260-F287 HydrophobicContact CG1-CB 3.64Å; T261-F287 PolarHBondContact O-N 3.16Å; Y262-F287 WeakPolarHBondContact CA-O 3.44Å; F287-L289 HydrophobicContact CE1-CB 4.43Å; F287-L289 HydrophobicContact CZ-CB 4.42Å; F287-L289 HydrophobicContact CZ-CD1 4.1Å; F287-F292 HydrophobicContact CE2-CB 3.73Å; F287-F292 HydrophobicContact CE2-CD2 4.07Å; F287-F292 AromaticContact CE2-CG 3.9Å; F287-F292 HydrophobicContact CE2-CG 3.9Å; F287-F292 HydrophobicContact CZ-CB 4.29Å; F287-F292 HydrophobicContact CZ-CG 4.38Å
288W96.8Very high95.8Very high86 Ų8667.8 Ų67.833%0.32635%0.347SS..  trans-129110.5173.5178.232.2000109.6Y73 P74 I75 S290 S291 F292Y73-W288 HydrophobicContact CE1-CZ2 4.5Å; Y73-W288 AromaticContact CZ-NE1 3.64Å; Y73-W288 PolarHBondContact OH-NE1 3.4Å; P74-W288 HydrophobicContact CB-CH2 3.86Å; P74-W288 HydrophobicContact CB-CZ2 4.28Å; P74-W288 HydrophobicContact CB-CZ3 4.25Å; I75-W288 HydrophobicContact CD1-CH2 4.42Å; I75-W288 HydrophobicContact CD1-CZ2 3.68Å; I75-W288 HydrophobicContact CG1-CH2 4.09Å; I75-W288 HydrophobicContact CG1-CZ2 3.77Å; W288-S290 VanDerWaalsContact C-N 3.31Å; W288-S290 VanDerWaalsContact CE2-CB 3.46Å; W288-S290 PolarHBondContact NE1-OG 3.22Å; W288-S290 PolarHBondContact O-N 3.1Å; W288-S291 PolarHBondContact O-N 3.43Å; W288-F292 PolarHBondContact O-N 3.25Å
289L96.6Very high95.7Very high9 Ų966 Ų665%0.04735%0.345CS..Hα-helixtrans-56.3-42.2-175.1-18067.6000112.5A144 I145 T149 F287 S291 F292 N293A144-L289 VanDerWaalsContact O-CD2 3.28Å; A144-L289 WeakPolarHBondContact O-CD2 3.27Å; I145-L289 HydrophobicContact CD1-CD2 4.01Å; I145-L289 WeakPolarHBondContact O-CD2 3.43Å; T149-L289 WeakPolarHBondContact OG1-CD2 3.36Å; F287-L289 HydrophobicContact CE1-CB 4.43Å; F287-L289 HydrophobicContact CZ-CB 4.42Å; F287-L289 HydrophobicContact CZ-CD1 4.1Å; L289-S291 PolarHBondContact O-N 3.48Å; L289-F292 WeakPolarHBondContact O-CB 3.33Å; L289-F292 PolarHBondContact O-N 2.8Å; L289-N293 WeakPolarHBondContact O-CB 3.47Å; L289-N293 PolarHBondContact O-N 2.87Å
290S93.9Very high95.6Very high3 Ų363.8 Ų63.82%0.02134%0.335CS..Hα-helixtrans-62.2-43.9-179.2-500000111.6W288 F292 N293 L294W288-S290 VanDerWaalsContact C-N 3.31Å; W288-S290 VanDerWaalsContact CE2-CB 3.46Å; W288-S290 PolarHBondContact NE1-OG 3.22Å; W288-S290 PolarHBondContact O-N 3.1Å; S290-F292 VanDerWaalsContact C-N 3.35Å; S290-N293 PolarHBondContact O-N 3.26Å; S290-L294 WeakPolarHBondContact O-CG 3.43Å; S290-L294 PolarHBondContact O-N 3.18Å
291S94.2Very high95.6Very high35 Ų3562.1 Ų62.125%0.24533%0.326CS..Hα-helixtrans-65.6-38.1175179.40000112.2W288 L289 R295W288-S291 PolarHBondContact O-N 3.43Å; L289-S291 PolarHBondContact O-N 3.48Å; S291-R295 PolarHBondContact O-NH1 3.33Å; S291-R295 PolarHBondContact OG-NH1 2.73Å
292F95.6Very high95.6Very high31 Ų3158.7 Ų58.714%0.13631%0.307CS..Hα-helixtrans-60-49172.9178.9-92.6000111.4H152 N156 F287 W288 L289 S290 L294 R295 Q296H152-F292 AromaticContact CD2-CE1 3.83Å; H152-F292 AromaticContact CE1-CE1 3.47Å; H152-F292 VanDerWaalsContact CE1-CE1 3.47Å; H152-F292 WeakPolarHBondContact CE1-CE1 3.15Å; H152-F292 AromaticContact CE1-CZ 3.97Å; H152-F292 AromaticContact CG-CE1 3.95Å; H152-F292 AromaticContact ND1-CE1 3.73Å; H152-F292 AromaticContact ND1-CZ 3.92Å; H152-F292 AromaticContact NE2-CE1 3.5Å; H152-F292 WeakPolarHBondContact NE2-CE1 3.38Å; N156-F292 VanDerWaalsContact ND2-CE2 3.32Å; N156-F292 WeakPolarHBondContact ND2-CE2 3.03Å; N156-F292 WeakPolarHBondContact ND2-CZ 3.31Å; F287-F292 HydrophobicContact CE2-CB 3.73Å; F287-F292 HydrophobicContact CE2-CD2 4.07Å; F287-F292 AromaticContact CE2-CG 3.9Å; F287-F292 HydrophobicContact CE2-CG 3.9Å; F287-F292 HydrophobicContact CZ-CB 4.29Å; F287-F292 HydrophobicContact CZ-CG 4.38Å; W288-F292 PolarHBondContact O-N 3.25Å; L289-F292 WeakPolarHBondContact O-CB 3.33Å; L289-F292 PolarHBondContact O-N 2.8Å; S290-F292 VanDerWaalsContact C-N 3.35Å; F292-L294 VanDerWaalsContact C-N 3.33Å; F292-L294 PolarHBondContact O-N 3.22Å; F292-R295 PolarHBondContact O-N 3.19Å; F292-Q296 HydrophobicContact CD1-CG 3.95Å; F292-Q296 HydrophobicContact CE1-CG 3.54Å; F292-Q296 HydrophobicContact CZ-CG 3.99Å; F292-Q296 WeakPolarHBondContact O-CG 2.81Å; F292-Q296 PolarHBondContact O-N 3.4Å
293N94.1Very high95.6Very high13 Ų1363.9 Ų63.97%0.0733%0.334CS..Hα-helixtrans-62.7-34.8-179.3-80.1-13.4000113.2L289 S290 R295 Q296L289-N293 WeakPolarHBondContact O-CB 3.47Å; L289-N293 PolarHBondContact O-N 2.87Å; S290-N293 PolarHBondContact O-N 3.26Å; N293-R295 PolarHBondContact O-N 2.68Å; N293-Q296 PolarHBondContact O-N 3.09Å; N293-Q296 VanDerWaalsContact O-N 3.09Å
294L91.7Very high95.6Very high123 Ų12362.2 Ų62.264%0.64432%0.322SS*.Hα-helixtrans-63.5-23174.4-72.7173.4000113.3L112 S290 F292L112-L294 HydrophobicContact CD1-CD1 3.75Å; L112-L294 HydrophobicContact CD1-CD2 3.91Å; L112-L294 HydrophobicContact CD1-CG 3.85Å; S290-L294 WeakPolarHBondContact O-CG 3.43Å; S290-L294 PolarHBondContact O-N 3.18Å; F292-L294 VanDerWaalsContact C-N 3.33Å; F292-L294 PolarHBondContact O-N 3.22Å
295R93.9Very high95.6Very high162 Ų16259.5 Ų59.561%0.61131%0.308SS*.THydrogen-bonded Turntrans-93.9-0.7175.6-63.5-172.6-65.1-83.2-1.5113.3S291 F292 N293S291-R295 PolarHBondContact O-NH1 3.33Å; S291-R295 PolarHBondContact OG-NH1 2.73Å; F292-R295 PolarHBondContact O-N 3.19Å; N293-R295 PolarHBondContact O-N 2.68Å
296Q93.5Very high95.6Very high45 Ų4553.8 Ų53.821%0.2129%0.288CS..SBendtrans-101.9146179.5-60.6-43.9-59.200110.9F292 N293 K300 R301F292-Q296 HydrophobicContact CD1-CG 3.95Å; F292-Q296 HydrophobicContact CE1-CG 3.54Å; F292-Q296 HydrophobicContact CZ-CG 3.99Å; F292-Q296 WeakPolarHBondContact O-CG 2.81Å; F292-Q296 PolarHBondContact O-N 3.4Å; N293-Q296 PolarHBondContact O-N 3.09Å; N293-Q296 VanDerWaalsContact O-N 3.09Å; Q296-K300 HydrophobicContact CB-CB 4.3Å; Q296-R301 HydrophobicContact CB-CG 3.95Å
297S94.2Very high95.6Very high45 Ų4554.3 Ų54.332%0.31527%0.273SS..  trans-66.8153.3167.962.90000110.7S299 K300 R301S297-S299 PolarHBondContact O-N 2.93Å; S297-S299 PolarHBondContact OG-OG 3.41Å; S297-K300 PolarHBondContact O-N 3.11Å; S297-K300 VanDerWaalsContact O-N 3.09Å; S297-K300 WeakPolarHBondContact OG-CG 3.45Å; S297-K300 PolarHBondContact OG-N 2.91Å; S297-R301 PolarHBondContact O-N 3.23Å
298P92.7Very high95.6Very high76 Ų7653.5 Ų53.549%0.49427%0.27SS..Hα-helixtrans-52.3-37.2171.7-27.735000112.9L110 K300 R301 Q302L110-P298 HydrophobicContact CD2-CB 4.27Å; L110-P298 HydrophobicContact CD2-CG 4.15Å; P298-K300 PolarHBondContact O-N 3.08Å; P298-R301 PolarHBondContact O-N 3.09Å; P298-Q302 WeakPolarHBondContact O-CB 3.38Å; P298-Q302 PolarHBondContact O-N 2.94Å
299S95Very high95.7Very high77 Ų7749.4 Ų49.454%0.53825%0.254SS..Hα-helixtrans-62.3-41.617756.20000113.7S297 R301 Q302 L303S297-S299 PolarHBondContact O-N 2.93Å; S297-S299 PolarHBondContact OG-OG 3.41Å; S299-R301 VanDerWaalsContact C-N 3.33Å; S299-Q302 WeakPolarHBondContact O-CB 3.47Å; S299-Q302 PolarHBondContact O-N 3.18Å; S299-L303 WeakPolarHBondContact O-CG 3.39Å; S299-L303 PolarHBondContact O-N 2.69Å
300K95.6Very high95.8Very high117 Ų11752.4 Ų52.451%0.50927%0.267SS..Hα-helixtrans-67.2-36.2175.8-74.9-177.2179.5-176.70111.9Q296 S297 P298 L303 T304Q296-K300 HydrophobicContact CB-CB 4.3Å; S297-K300 PolarHBondContact O-N 3.11Å; S297-K300 VanDerWaalsContact O-N 3.09Å; S297-K300 WeakPolarHBondContact OG-CG 3.45Å; S297-K300 PolarHBondContact OG-N 2.91Å; P298-K300 PolarHBondContact O-N 3.08Å; K300-L303 PolarHBondContact O-N 2.95Å; K300-T304 PolarHBondContact O-N 3.28Å; K300-T304 PolarHBondContact O-OG1 2.91Å; K300-T304 VanDerWaalsContact O-OG1 3.1Å
301R95.8Very high96Very high31 Ų3153.4 Ų53.412%0.11727%0.27CS..Hα-helixtrans-67.5-39.9174.1-65-173.560.4-172-5.2111.5L110 L129 Q296 S297 P298 S299 L303 T304 V305L110-R301 HydrophobicContact CD1-CB 4.27Å; L110-R301 PolarHBondContact O-NH1 3.31Å; L110-R301 PolarHBondContact O-NH2 2.85Å; L129-R301 HydrophobicContact CD1-CB 3.92Å; Q296-R301 HydrophobicContact CB-CG 3.95Å; S297-R301 PolarHBondContact O-N 3.23Å; P298-R301 PolarHBondContact O-N 3.09Å; S299-R301 VanDerWaalsContact C-N 3.33Å; R301-L303 PolarHBondContact O-N 3.13Å; R301-T304 WeakPolarHBondContact O-CB 3.28Å; R301-T304 PolarHBondContact O-N 2.87Å; R301-V305 WeakPolarHBondContact O-CG2 3.37Å; R301-V305 PolarHBondContact O-N 2.87Å
302Q97.1Very high96.2Very high31 Ų3152.3 Ų52.315%0.14526%0.261CS..Hα-helixtrans-60.8-41.3173.4-171.662.564.900111.9L129 K130 P298 S299 T304 V305 D306L129-Q302 HydrophobicContact CD2-CB 4.1Å; K130-Q302 PolarHBondContact O-NE2 3.19Å; P298-Q302 WeakPolarHBondContact O-CB 3.38Å; P298-Q302 PolarHBondContact O-N 2.94Å; S299-Q302 WeakPolarHBondContact O-CB 3.47Å; S299-Q302 PolarHBondContact O-N 3.18Å; Q302-T304 VanDerWaalsContact C-N 3.33Å; Q302-T304 PolarHBondContact O-N 3.47Å; Q302-V305 PolarHBondContact O-N 3Å; Q302-D306 PolarHBondContact NE2-OD1 3.49Å; Q302-D306 WeakPolarHBondContact O-CB 3.23Å; Q302-D306 PolarHBondContact O-N 2.96Å
303L97.4Very high96.4Very high118 Ų11853.2 Ų53.262%0.61827%0.27SS*.Hα-helixtrans-61.9-39.5175.9-71.4173.3000112.7S299 K300 R301 D306 Q307S299-L303 WeakPolarHBondContact O-CG 3.39Å; S299-L303 PolarHBondContact O-N 2.69Å; K300-L303 PolarHBondContact O-N 2.95Å; R301-L303 PolarHBondContact O-N 3.13Å; L303-D306 PolarHBondContact O-N 2.76Å; L303-Q307 WeakPolarHBondContact O-CB 3.39Å; L303-Q307 PolarHBondContact O-N 2.78Å
304T97.7Very high96.6Very high21 Ų2157.2 Ų57.213%0.12929%0.289CS..Hα-helixtrans-62.7-46.8176.4-56.60000110.4L151 K300 R301 Q302 Q307 L308L151-T304 HydrophobicContact CD2-CG2 4.05Å; K300-T304 PolarHBondContact O-N 3.28Å; K300-T304 PolarHBondContact O-OG1 2.91Å; K300-T304 VanDerWaalsContact O-OG1 3.1Å; R301-T304 WeakPolarHBondContact O-CB 3.28Å; R301-T304 PolarHBondContact O-N 2.87Å; Q302-T304 VanDerWaalsContact C-N 3.33Å; Q302-T304 PolarHBondContact O-N 3.47Å; T304-Q307 PolarHBondContact O-N 2.82Å; T304-L308 HydrophobicContact CG2-CD1 4.03Å; T304-L308 WeakPolarHBondContact O-CD1 3.23Å; T304-L308 VanDerWaalsContact O-CG 3.3Å; T304-L308 WeakPolarHBondContact O-CG 3.39Å; T304-L308 PolarHBondContact O-N 3.36Å; T304-L308 VanDerWaalsContact O-N 3.09Å
305V97.8Very high96.8Very high5 Ų557.4 Ų57.43%0.0329%0.291CS..Hα-helixtrans-62.7-44.4176.3163.40000111.9I108 L129 I131 L143 R301 Q302 Q307 L308 S309I108-V305 HydrophobicContact CD1-CG1 4.4Å; I108-V305 HydrophobicContact CD1-CG2 3.77Å; L129-V305 HydrophobicContact CD1-CG2 3.84Å; I131-V305 HydrophobicContact CD1-CG1 3.41Å; I131-V305 VanDerWaalsContact CD1-CG1 3.41Å; L143-V305 HydrophobicContact CD2-CB 4.31Å; L143-V305 HydrophobicContact CD2-CG1 3.8Å; L143-V305 HydrophobicContact CD2-CG2 4.38Å; R301-V305 WeakPolarHBondContact O-CG2 3.37Å; R301-V305 PolarHBondContact O-N 2.87Å; Q302-V305 PolarHBondContact O-N 3Å; V305-Q307 PolarHBondContact O-N 2.8Å; V305-L308 PolarHBondContact O-N 2.98Å; V305-S309 VanDerWaalsContact O-CB 3.28Å; V305-S309 WeakPolarHBondContact O-CB 3.36Å; V305-S309 PolarHBondContact O-N 2.86Å; V305-S309 PolarHBondContact O-OG 2.88Å
306D98.2Very high97Very high19 Ų1953.8 Ų53.810%0.10228%0.283CS..Hα-helixtrans-62-44178.6-73.7-8.9000110.9K132 Y133 Q302 L303 S309 K310K132-D306 WeakPolarHBondContact CE-OD2 3.26Å; K132-D306 IonicContact NZ-OD1 3.84Å; K132-D306 IonicContact NZ-OD2 2.73Å; K132-D306 PolarHBondContact NZ-OD2 2.96Å; Y133-D306 HydrophobicContact CE2-CB 4.44Å; Y133-D306 WeakPolarHBondContact CE2-O 3.44Å; Q302-D306 PolarHBondContact NE2-OD1 3.49Å; Q302-D306 WeakPolarHBondContact O-CB 3.23Å; Q302-D306 PolarHBondContact O-N 2.96Å; L303-D306 PolarHBondContact O-N 2.76Å; D306-S309 WeakPolarHBondContact CA-OG 3.5Å; D306-S309 PolarHBondContact O-OG 3Å; D306-K310 VanDerWaalsContact O-CB 3.23Å; D306-K310 WeakPolarHBondContact O-CB 3.09Å; D306-K310 PolarHBondContact O-N 3.32Å
307Q98.4Very high97.2Very high76 Ų7651.7 Ų51.736%0.35527%0.273SS..Hα-helixtrans-64-46.9178.8-176.860.17700112.1L303 T304 V305 K310 W311L303-Q307 WeakPolarHBondContact O-CB 3.39Å; L303-Q307 PolarHBondContact O-N 2.78Å; T304-Q307 PolarHBondContact O-N 2.82Å; V305-Q307 PolarHBondContact O-N 2.8Å; Q307-K310 PolarHBondContact O-N 3.43Å; Q307-W311 HydrophobicContact CG-CD2 4.31Å; Q307-W311 HydrophobicContact CG-CE3 4.38Å; Q307-W311 HydrophobicContact CG-CH2 3.98Å; Q307-W311 HydrophobicContact CG-CZ2 3.9Å; Q307-W311 HydrophobicContact CG-CZ3 4.22Å; Q307-W311 PolarHBondContact O-N 2.84Å; Q307-W311 VanDerWaalsContact O-N 3.09Å
308L98.5Very high97.4Very high0 Ų055.3 Ų55.30%028%0.283CS..Hα-helixtrans-68.1-43.9-179.2-67.9165.7000111.6L143 P147 S148 L151 I182 T304 V305 K310 W311 F312 I317L143-L308 HydrophobicContact CD1-CB 3.56Å; L143-L308 HydrophobicContact CD1-CD1 4.49Å; L143-L308 HydrophobicContact CG-CB 4.13Å; L143-L308 HydrophobicContact CG-CD1 4.46Å; P147-L308 HydrophobicContact CB-CD1 3.99Å; P147-L308 HydrophobicContact CB-CD2 3.87Å; P147-L308 HydrophobicContact CB-CG 4.45Å; S148-L308 WeakPolarHBondContact OG-CD1 3.38Å; L151-L308 HydrophobicContact CB-CD2 4.41Å; L151-L308 HydrophobicContact CD2-CD1 4.48Å; L151-L308 HydrophobicContact CD2-CD2 4.13Å; L151-L308 HydrophobicContact CD2-CG 4.12Å; I182-L308 HydrophobicContact CD1-CD2 4.13Å; T304-L308 HydrophobicContact CG2-CD1 4.03Å; T304-L308 WeakPolarHBondContact O-CD1 3.23Å; T304-L308 VanDerWaalsContact O-CG 3.3Å; T304-L308 WeakPolarHBondContact O-CG 3.39Å; T304-L308 PolarHBondContact O-N 3.36Å; T304-L308 VanDerWaalsContact O-N 3.09Å; V305-L308 PolarHBondContact O-N 2.98Å; L308-K310 VanDerWaalsContact C-N 3.32Å; L308-K310 PolarHBondContact O-N 2.76Å; L308-W311 HydrophobicContact CD2-CE3 4.11Å; L308-W311 HydrophobicContact CD2-CZ3 4.23Å; L308-W311 PolarHBondContact O-N 3.41Å; L308-F312 VanDerWaalsContact O-CD2 3.3Å; L308-F312 WeakPolarHBondContact O-CD2 3.48Å; L308-F312 PolarHBondContact O-N 3.27Å; L308-I317 HydrophobicContact CD2-CD1 4.35Å
309S98.4Very high97.6Very high0 Ų053.4 Ų53.40%027%0.271CS..Hα-helixtrans-66.1-34.2177.856.20000112.3Y133 I135 V305 D306 F312 C313Y133-S309 WeakPolarHBondContact CD2-OG 3.37Å; I135-S309 WeakPolarHBondContact CG2-O 3.48Å; V305-S309 VanDerWaalsContact O-CB 3.28Å; V305-S309 WeakPolarHBondContact O-CB 3.36Å; V305-S309 PolarHBondContact O-N 2.86Å; V305-S309 PolarHBondContact O-OG 2.88Å; D306-S309 WeakPolarHBondContact CA-OG 3.5Å; D306-S309 PolarHBondContact O-OG 3Å; S309-F312 PolarHBondContact O-N 3.23Å; S309-C313 WeakPolarHBondContact O-CB 3.46Å; S309-C313 PolarHBondContact O-N 3.49Å
310K98.6Very high97.7Very high73 Ų7350 Ų5032%0.31725%0.247SC..Hα-helixtrans-59.9-49.9169.4-176178.6176179.20111.7Y133 D306 Q307 L308 F312 C313 E314Y133-K310 HydrophobicContact CD1-CB 4.32Å; Y133-K310 HydrophobicContact CD1-CG 4.44Å; Y133-K310 HydrophobicContact CD2-CB 3.99Å; Y133-K310 HydrophobicContact CE1-CB 4.06Å; Y133-K310 HydrophobicContact CE1-CD 4.38Å; Y133-K310 HydrophobicContact CE1-CG 3.95Å; Y133-K310 HydrophobicContact CE2-CB 3.71Å; Y133-K310 HydrophobicContact CE2-CG 4.42Å; Y133-K310 HydrophobicContact CG-CB 4.28Å; D306-K310 VanDerWaalsContact O-CB 3.23Å; D306-K310 WeakPolarHBondContact O-CB 3.09Å; D306-K310 PolarHBondContact O-N 3.32Å; Q307-K310 PolarHBondContact O-N 3.43Å; L308-K310 VanDerWaalsContact C-N 3.32Å; L308-K310 PolarHBondContact O-N 2.76Å; K310-F312 VanDerWaalsContact C-N 3.29Å; K310-F312 PolarHBondContact O-N 2.94Å; K310-C313 WeakPolarHBondContact O-CB 3.44Å; K310-C313 PolarHBondContact O-N 3.29Å; K310-C313 VanDerWaalsContact O-N 3.08Å; K310-E314 VanDerWaalsContact CE-CD 3.42Å; K310-E314 WeakPolarHBondContact CE-OE1 3.48Å; K310-E314 WeakPolarHBondContact CE-OE2 3.43Å; K310-E314 HydrophobicContact CG-CG 4.39Å; K310-E314 IonicContact NZ-OE1 3.76Å; K310-E314 WeakPolarHBondContact O-CG 3.49Å; K310-E314 PolarHBondContact O-N 2.81Å
311W98.6Very high97.7Very high24 Ų2445.8 Ų45.89%0.09123%0.231CC..Hα-helixtrans-63-33.5179.3-72-21.4000113.6L151 I182 I185 Q307 L308 D315 L316 I317L151-W311 HydrophobicContact CD1-CH2 4Å; L151-W311 HydrophobicContact CD1-CZ3 4.02Å; I182-W311 HydrophobicContact CB-CZ3 4.48Å; I182-W311 HydrophobicContact CD1-CZ3 4.31Å; I182-W311 HydrophobicContact CG1-CE3 4.34Å; I182-W311 HydrophobicContact CG1-CZ3 3.92Å; I182-W311 HydrophobicContact CG2-CH2 4.1Å; I182-W311 HydrophobicContact CG2-CZ3 3.9Å; I185-W311 HydrophobicContact CD1-CD2 3.94Å; I185-W311 HydrophobicContact CD1-CE3 4.21Å; I185-W311 HydrophobicContact CD1-CG 4.16Å; I185-W311 HydrophobicContact CG2-CZ2 3.85Å; Q307-W311 HydrophobicContact CG-CD2 4.31Å; Q307-W311 HydrophobicContact CG-CE3 4.38Å; Q307-W311 HydrophobicContact CG-CH2 3.98Å; Q307-W311 HydrophobicContact CG-CZ2 3.9Å; Q307-W311 HydrophobicContact CG-CZ3 4.22Å; Q307-W311 PolarHBondContact O-N 2.84Å; Q307-W311 VanDerWaalsContact O-N 3.09Å; L308-W311 HydrophobicContact CD2-CE3 4.11Å; L308-W311 HydrophobicContact CD2-CZ3 4.23Å; L308-W311 PolarHBondContact O-N 3.41Å; W311-D315 PolarHBondContact O-N 2.88Å; W311-L316 HydrophobicContact CB-CB 4.2Å; W311-L316 HydrophobicContact CG-CB 4.41Å; W311-L316 HydrophobicContact CG-CD1 4.43Å; W311-L316 PolarHBondContact O-N 3.46Å; W311-I317 HydrophobicContact CB-CD1 3.96Å; W311-I317 HydrophobicContact CB-CG1 3.84Å; W311-I317 HydrophobicContact CB-CG2 4.28Å; W311-I317 HydrophobicContact CE3-CD1 4.47Å; W311-I317 PolarHBondContact O-N 2.99Å
312F98.4Very high97.8Very high12 Ų1247.3 Ų47.35%0.05324%0.239CC..Hα-helixtrans-67.2-43.3170.3-86.9-68.6000112.1I135 C139 L143 P147 Y178 L308 S309 K310 E314 D315 I317 P319I135-F312 HydrophobicContact CB-CB 4.47Å; I135-F312 HydrophobicContact CG2-CB 3.65Å; C139-F312 HydrophobicContact CB-CD1 4.22Å; C139-F312 HydrophobicContact CB-CE1 4.27Å; C139-F312 HydrophobicContact CB-CG 4.43Å; L143-F312 HydrophobicContact CD1-CD2 3.66Å; L143-F312 HydrophobicContact CD1-CE2 3.56Å; P147-F312 HydrophobicContact CG-CE2 4.32Å; Y178-F312 HydrophobicContact CE1-CE1 4.27Å; Y178-F312 HydrophobicContact CE1-CE2 4.45Å; Y178-F312 AromaticContact CE1-CZ 3.59Å; Y178-F312 HydrophobicContact CE1-CZ 3.59Å; Y178-F312 AromaticContact CZ-CZ 3.96Å; L308-F312 VanDerWaalsContact O-CD2 3.3Å; L308-F312 WeakPolarHBondContact O-CD2 3.48Å; L308-F312 PolarHBondContact O-N 3.27Å; S309-F312 PolarHBondContact O-N 3.23Å; K310-F312 VanDerWaalsContact C-N 3.29Å; K310-F312 PolarHBondContact O-N 2.94Å; F312-E314 VanDerWaalsContact C-N 3.27Å; F312-E314 PolarHBondContact O-N 2.81Å; F312-D315 PolarHBondContact O-N 3.19Å; F312-I317 HydrophobicContact CB-CG1 4.48Å; F312-I317 HydrophobicContact CD1-CD1 4.42Å; F312-I317 HydrophobicContact CD1-CG1 3.86Å; F312-I317 WeakPolarHBondContact CD1-O 3.34Å; F312-I317 HydrophobicContact CD2-CD1 3.61Å; F312-I317 HydrophobicContact CD2-CG1 3.89Å; F312-I317 HydrophobicContact CE1-CD1 4.37Å; F312-I317 HydrophobicContact CE1-CG1 4.02Å; F312-I317 HydrophobicContact CE2-CD1 3.52Å; F312-I317 HydrophobicContact CE2-CG1 4.03Å; F312-I317 HydrophobicContact CG-CD1 4.07Å; F312-I317 HydrophobicContact CG-CG1 3.8Å; F312-I317 HydrophobicContact CZ-CD1 3.94Å; F312-I317 HydrophobicContact CZ-CG1 4.11Å; F312-P319 HydrophobicContact CE1-CB 4.39Å
313C98.2Very high97.8Very high49 Ų4948.9 Ų48.933%0.33125%0.246SC..Hα-helixtrans-65.1-31.3179.5-176.20000112.8Y133 I135 S309 K310 D315Y133-C313 HydrophobicContact CD1-CB 4.48Å; Y133-C313 HydrophobicContact CG-CB 4.5Å; I135-C313 HydrophobicContact CG2-CB 4.1Å; S309-C313 WeakPolarHBondContact O-CB 3.46Å; S309-C313 PolarHBondContact O-N 3.49Å; K310-C313 WeakPolarHBondContact O-CB 3.44Å; K310-C313 PolarHBondContact O-N 3.29Å; K310-C313 VanDerWaalsContact O-N 3.08Å; C313-D315 VanDerWaalsContact C-N 3.34Å
314E98Very high97.8Very high97 Ų9748.2 Ų48.245%0.45324%0.24SC..THydrogen-bonded Turntrans-92.38.8178.1-66.2175.6165.700112.8K310 F312 L316K310-E314 VanDerWaalsContact CE-CD 3.42Å; K310-E314 WeakPolarHBondContact CE-OE1 3.48Å; K310-E314 WeakPolarHBondContact CE-OE2 3.43Å; K310-E314 HydrophobicContact CG-CG 4.39Å; K310-E314 IonicContact NZ-OE1 3.76Å; K310-E314 WeakPolarHBondContact O-CG 3.49Å; K310-E314 PolarHBondContact O-N 2.81Å; F312-E314 VanDerWaalsContact C-N 3.27Å; F312-E314 PolarHBondContact O-N 2.81Å; E314-L316 HydrophobicContact CB-CD1 4.49Å; E314-L316 HydrophobicContact CB-CG 4.05Å; E314-L316 PolarHBondContact O-N 2.83Å
315D97.1Very high97.8Very high128 Ų12847.3 Ų47.368%0.68423%0.234SC*.THydrogen-bonded Turntrans54.821-177.1-67.2-52.1000114.9W311 F312 C313W311-D315 PolarHBondContact O-N 2.88Å; F312-D315 PolarHBondContact O-N 3.19Å; C313-D315 VanDerWaalsContact C-N 3.34Å
316L98.2Very high97.8Very high86 Ų8649.2 Ų49.245%0.4525%0.247SC..SBendtrans-73.6-30.2175-61.1-174.2000111.8I185 W311 E314I185-L316 HydrophobicContact CD1-CB 3.79Å; I185-L316 HydrophobicContact CG1-CB 4.36Å; W311-L316 HydrophobicContact CB-CB 4.2Å; W311-L316 HydrophobicContact CG-CB 4.41Å; W311-L316 HydrophobicContact CG-CD1 4.43Å; W311-L316 PolarHBondContact O-N 3.46Å; E314-L316 HydrophobicContact CB-CD1 4.49Å; E314-L316 HydrophobicContact CB-CG 4.05Å; E314-L316 PolarHBondContact O-N 2.83Å
317I98.2Very high97.8Very high1 Ų148.5 Ų48.51%0.00524%0.243CC..SBendtrans-125.2144.1167.967.3-179.1000110.4Q181 I182 I185 L308 W311 F312Q181-I317 HydrophobicContact CB-CB 4.38Å; Q181-I317 HydrophobicContact CB-CG2 3.87Å; I182-I317 HydrophobicContact CG1-CG2 4.45Å; I185-I317 HydrophobicContact CD1-CG2 3.45Å; I185-I317 VanDerWaalsContact CD1-CG2 3.45Å; L308-I317 HydrophobicContact CD2-CD1 4.35Å; W311-I317 HydrophobicContact CB-CD1 3.96Å; W311-I317 HydrophobicContact CB-CG1 3.84Å; W311-I317 HydrophobicContact CB-CG2 4.28Å; W311-I317 HydrophobicContact CE3-CD1 4.47Å; W311-I317 PolarHBondContact O-N 2.99Å; F312-I317 HydrophobicContact CB-CG1 4.48Å; F312-I317 HydrophobicContact CD1-CD1 4.42Å; F312-I317 HydrophobicContact CD1-CG1 3.86Å; F312-I317 WeakPolarHBondContact CD1-O 3.34Å; F312-I317 HydrophobicContact CD2-CD1 3.61Å; F312-I317 HydrophobicContact CD2-CG1 3.89Å; F312-I317 HydrophobicContact CE1-CD1 4.37Å; F312-I317 HydrophobicContact CE1-CG1 4.02Å; F312-I317 HydrophobicContact CE2-CD1 3.52Å; F312-I317 HydrophobicContact CE2-CG1 4.03Å; F312-I317 HydrophobicContact CG-CD1 4.07Å; F312-I317 HydrophobicContact CG-CG1 3.8Å; F312-I317 HydrophobicContact CZ-CD1 3.94Å; F312-I317 HydrophobicContact CZ-CG1 4.11Å
318K97.5Very high97.7Very high120 Ų12050.2 Ų50.252%0.52225%0.249SC..  trans-112152.9177.3-64.8179.7-176.4-179.30109.9Y178 Q181 Y213Y178-K318 WeakPolarHBondContact CE1-O 3.25Å; Q181-K318 PolarHBondContact NE2-O 3.31Å; Q181-K318 PolarHBondContact OE1-O 2.65Å; Y213-K318 HydrophobicContact CE1-CB 3.98Å
319P97.3Very high97.7Very high37 Ų3754.2 Ų54.224%0.2427%0.268CS..PPolyproline II helixtrans-62.6142.5177.724.7-33000110.8Y178 Y213 F312 F322Y178-P319 WeakPolarHBondContact OH-CA 3.25Å; Y213-P319 PolarHBondContact OH-O 2.97Å; F312-P319 HydrophobicContact CE1-CB 4.39Å; P319-F322 HydrophobicContact CB-CD1 3.88Å; P319-F322 HydrophobicContact CB-CE1 3.71Å; P319-F322 HydrophobicContact CG-CD1 4.23Å; P319-F322 HydrophobicContact CG-CE1 3.63Å
320S96.6Very high97.6Very high6 Ų654.5 Ų54.54%0.04227%0.269CS..PPolyproline II helixtrans-58.4150.4163.763.20000109.6Y178 F322Y178-S320 PolarHBondContact OH-N 2.87Å; S320-F322 WeakPolarHBondContact O-CD1 3.36Å; S320-F322 PolarHBondContact O-N 2.73Å
321P96.5Very high97.6Very high27 Ų2757.6 Ų57.618%0.17528%0.279CS..SBendtrans-50.3126.9-177.6-26.835.4000111.9L209 Y213 I347 K349 K350L209-P321 HydrophobicContact CD2-CG 4.11Å; Y213-P321 WeakPolarHBondContact OH-CD 3.17Å; P321-I347 HydrophobicContact CB-CG2 4.15Å; P321-I347 HydrophobicContact CG-CG2 3.92Å; P321-K349 HydrophobicContact CB-CG 4.06Å; P321-K349 CarbonylContact O-C 3.55Å; P321-K349 WeakPolarHBondContact O-CA 3.39Å; P321-K350 PolarHBondContact O-N 3.44Å
322F96.7Very high97.5Very high64 Ų6461 Ų6128%0.28129%0.294SS..EExtended strand (participates in β ladder)trans-139.7162.7-178.772.4-81.7000111.1P319 S320 E324 K350 V352P319-F322 HydrophobicContact CB-CD1 3.88Å; P319-F322 HydrophobicContact CB-CE1 3.71Å; P319-F322 HydrophobicContact CG-CD1 4.23Å; P319-F322 HydrophobicContact CG-CE1 3.63Å; S320-F322 WeakPolarHBondContact O-CD1 3.36Å; S320-F322 PolarHBondContact O-N 2.73Å; F322-E324 HydrophobicContact CD2-CG 3.97Å; F322-E324 HydrophobicContact CE2-CG 3.6Å; F322-K350 CarbonylContact C-O 3.52Å; F322-K350 WeakPolarHBondContact CA-O 3.35Å; F322-K350 HydrophobicContact CB-CB 4.18Å; F322-K350 VanDerWaalsContact CB-O 3.32Å; F322-K350 WeakPolarHBondContact CB-O 3.49Å; F322-V352 HydrophobicContact CB-CG2 4.07Å; F322-V352 HydrophobicContact CD2-CG2 3.99Å; F322-V352 HydrophobicContact CG-CG2 4.37Å
323E97Very high97.4Very high63 Ų6360.4 Ų60.429%0.29429%0.292SS..EExtended strand (participates in β ladder)trans-131.6125173.4-173.4171.415300108.2I325 M336 K349 K350 V352E323-I325 HydrophobicContact CG-CG1 4.13Å; E323-M336 VanDerWaalsContact OE2-CE 3.31Å; E323-M336 WeakPolarHBondContact OE2-CE 3.32Å; E323-K349 HydrophobicContact CB-CB 4.34Å; E323-K349 HydrophobicContact CB-CD 4.37Å; E323-K350 PolarHBondContact N-O 2.91Å; E323-V352 PolarHBondContact O-N 3.02Å
324E98Very high97.4Very high105 Ų10558.1 Ų58.149%0.49128%0.276SS..EExtended strand (participates in β ladder)trans-79.6125.5173.3-64.9-173166.600108.8S138 F322 V352 I354S138-E324 WeakPolarHBondContact CB-OE1 3.31Å; S138-E324 PolarHBondContact OG-OE1 3.15Å; F322-E324 HydrophobicContact CD2-CG 3.97Å; F322-E324 HydrophobicContact CE2-CG 3.6Å; E324-V352 WeakPolarHBondContact CA-O 3.41Å; E324-I354 HydrophobicContact CB-CD1 4.13Å; E324-I354 HydrophobicContact CB-CG1 3.71Å; E324-I354 HydrophobicContact CG-CD1 3.96Å; E324-I354 HydrophobicContact CG-CG1 4.12Å
325I98.1Very high97.3Very high1 Ų159.3 Ų59.31%0.00528%0.281CS..EExtended strand (participates in β ladder)trans-126.7128.2-177.1-59.2175.4000107.5E323 F327 E329 A333 M336 V352 L353 I354E323-I325 HydrophobicContact CG-CG1 4.13Å; I325-F327 PolarHBondContact O-N 3.36Å; I325-E329 HydrophobicContact CG2-CB 3.65Å; I325-A333 HydrophobicContact CB-CB 4.19Å; I325-A333 HydrophobicContact CD1-CB 3.67Å; I325-A333 HydrophobicContact CG2-CB 4.04Å; I325-M336 HydrophobicContact CD1-CE 4.12Å; I325-M336 HydrophobicContact CD1-SD 3.71Å; I325-V352 PolarHBondContact N-O 2.78Å; I325-L353 CarbonylContact O-C 3.54Å; I325-L353 WeakPolarHBondContact O-CA 3.41Å; I325-I354 PolarHBondContact O-N 3.35Å
326P98.1Very high97.1Very high45 Ų4556.2 Ų56.229%0.29226%0.263SS..EExtended strand (participates in β ladder)trans-53.2139.6176.1-26.334.8000111.4K328 E329P326-K328 PolarHBondContact O-N 3.2Å; P326-K328 VanDerWaalsContact O-N 3.09Å; P326-E329 WeakPolarHBondContact O-CA 3.39Å; P326-E329 WeakPolarHBondContact O-CB 3.27Å; P326-E329 PolarHBondContact O-N 2.84Å
327F97.6Very high96.9Very high5 Ų552.7 Ų52.72%0.02225%0.246CC..G310 helixtrans-56.3-32.1-177.6-179-124.2000113.1E23 I25 F39 W117 T119 I325 E329 W330 L353 I354 M355E23-F327 HydrophobicContact CB-CE1 3.95Å; I25-F327 HydrophobicContact CD1-CE2 4.06Å; I25-F327 HydrophobicContact CD1-CZ 3.81Å; I25-F327 HydrophobicContact CG1-CE2 3.65Å; I25-F327 HydrophobicContact CG1-CZ 3.73Å; F39-F327 HydrophobicContact CE2-CE1 4.16Å; W117-F327 HydrophobicContact CB-CE2 4.34Å; W117-F327 WeakPolarHBondContact O-CZ 3.39Å; T119-F327 HydrophobicContact CG2-CD1 4.12Å; T119-F327 HydrophobicContact CG2-CE1 4.12Å; I325-F327 PolarHBondContact O-N 3.36Å; F327-E329 PolarHBondContact O-N 3.3Å; F327-W330 VanDerWaalsContact O-CB 3.31Å; F327-W330 WeakPolarHBondContact O-CB 3.46Å; F327-W330 PolarHBondContact O-N 3.32Å; F327-W330 VanDerWaalsContact O-N 3.1Å; F327-L353 HydrophobicContact CD2-CB 4.28Å; F327-L353 HydrophobicContact CD2-CD1 4.15Å; F327-L353 HydrophobicContact CE2-CD1 4.33Å; F327-I354 VanDerWaalsContact CB-O 3.28Å; F327-I354 WeakPolarHBondContact CB-O 3.39Å; F327-I354 PolarHBondContact N-O 2.92Å; F327-M355 HydrophobicContact CB-SD 3.67Å; F327-M355 HydrophobicContact CD1-SD 3.79Å; F327-M355 HydrophobicContact CD2-CE 3.61Å; F327-M355 HydrophobicContact CD2-SD 3.29Å; F327-M355 WeakPolarHBondContact CD2-SD 3.36Å; F327-M355 HydrophobicContact CE1-SD 4.2Å; F327-M355 HydrophobicContact CE2-CE 3.7Å; F327-M355 HydrophobicContact CE2-SD 3.74Å; F327-M355 HydrophobicContact CG-CE 4.27Å; F327-M355 HydrophobicContact CG-SD 3.31Å; F327-M355 WeakPolarHBondContact CG-SD 3.39Å; F327-M355 HydrophobicContact CZ-CE 4.44Å; F327-M355 HydrophobicContact CZ-SD 4.17Å
328K96.6Very high96.6Very high111 Ų11154.9 Ų54.948%0.48326%0.258SS..G310 helixtrans-62.8-26.4174.9-62.4-57.9-167.4-177.60113.4E23 P326 W330E23-K328 IonicContact OE1-NZ 3.31Å; E23-K328 PolarHBondContact OE1-NZ 2.65Å; E23-K328 WeakPolarHBondContact OE2-CE 3.48Å; E23-K328 IonicContact OE2-NZ 2.82Å; E23-K328 PolarHBondContact OE2-NZ 3Å; P326-K328 PolarHBondContact O-N 3.2Å; P326-K328 VanDerWaalsContact O-N 3.09Å; K328-W330 VanDerWaalsContact C-N 3.3Å; K328-W330 PolarHBondContact O-N 3.46Å
329E97.4Very high95.7Very high85 Ų8552.9 Ų52.940%0.39725%0.249SC..G310 helixtrans-90.922.4175.4-68.8-175.8-129.800112.8I325 P326 F327 R331 K332 A333I325-E329 HydrophobicContact CG2-CB 3.65Å; P326-E329 WeakPolarHBondContact O-CA 3.39Å; P326-E329 WeakPolarHBondContact O-CB 3.27Å; P326-E329 PolarHBondContact O-N 2.84Å; F327-E329 PolarHBondContact O-N 3.3Å; E329-R331 PolarHBondContact O-N 3.47Å; E329-K332 HydrophobicContact CB-CB 4.46Å; E329-K332 WeakPolarHBondContact O-CB 3.28Å; E329-K332 PolarHBondContact O-N 3.14Å; E329-K332 VanDerWaalsContact OE2-CD 3.28Å; E329-K332 WeakPolarHBondContact OE2-CD 3.16Å; E329-K332 IonicContact OE2-NZ 3.31Å; E329-A333 PolarHBondContact O-N 3.37Å
330W97.4Very high94.8Very high5 Ų554.6 Ų54.62%0.01926%0.262CS..Hα-helixtrans-53.5-28.9-176.868.1-89.7000114.6I25 L37 F327 K328 A333 L334 L353I25-W330 HydrophobicContact CD1-CB 4.32Å; I25-W330 VanDerWaalsContact CD1-CD1 3.4Å; I25-W330 HydrophobicContact CD1-CD2 3.74Å; I25-W330 HydrophobicContact CD1-CG 3.58Å; I25-W330 HydrophobicContact CD1-CZ2 4.35Å; I25-W330 HydrophobicContact CG1-CB 4.31Å; I25-W330 HydrophobicContact CG1-CD2 4.08Å; I25-W330 HydrophobicContact CG1-CG 3.97Å; I25-W330 HydrophobicContact CG2-CD2 4.23Å; I25-W330 HydrophobicContact CG2-CE3 4.04Å; I25-W330 HydrophobicContact CG2-CH2 4.23Å; I25-W330 HydrophobicContact CG2-CZ2 4.38Å; I25-W330 HydrophobicContact CG2-CZ3 4.06Å; L37-W330 HydrophobicContact CB-CH2 3.62Å; L37-W330 HydrophobicContact CB-CZ3 3.63Å; L37-W330 HydrophobicContact CD1-CZ3 3.92Å; L37-W330 HydrophobicContact CG-CZ3 4.46Å; F327-W330 VanDerWaalsContact O-CB 3.31Å; F327-W330 WeakPolarHBondContact O-CB 3.46Å; F327-W330 PolarHBondContact O-N 3.32Å; F327-W330 VanDerWaalsContact O-N 3.1Å; K328-W330 VanDerWaalsContact C-N 3.3Å; K328-W330 PolarHBondContact O-N 3.46Å; W330-A333 PolarHBondContact O-N 2.78Å; W330-L334 HydrophobicContact CE3-CD2 4.38Å; W330-L334 HydrophobicContact CZ3-CD2 3.93Å; W330-L334 VanDerWaalsContact O-CB 3.26Å; W330-L334 WeakPolarHBondContact O-CB 3.39Å; W330-L334 PolarHBondContact O-N 3.17Å; W330-L353 HydrophobicContact CB-CD2 3.94Å
331R97.8Very high93.6Very high138 Ų13858.5 Ų58.552%0.52128%0.282SS..Hα-helixtrans-65.6-40.3175.5-74.1-170.4176.677.4-1.9112.5E329 L334 H335E329-R331 PolarHBondContact O-N 3.47Å; R331-L334 PolarHBondContact O-N 2.88Å; R331-H335 WeakPolarHBondContact O-CB 3.38Å; R331-H335 PolarHBondContact O-N 2.68Å
332K96.8Very high92.8Very high96 Ų9660.7 Ų60.742%0.41730%0.298SS..Hα-helixtrans-63.3-47.8173.6176.8-170.7170.6-169.10110E329 L334 H335 M336E329-K332 HydrophobicContact CB-CB 4.46Å; E329-K332 WeakPolarHBondContact O-CB 3.28Å; E329-K332 PolarHBondContact O-N 3.14Å; E329-K332 VanDerWaalsContact OE2-CD 3.28Å; E329-K332 WeakPolarHBondContact OE2-CD 3.16Å; E329-K332 IonicContact OE2-NZ 3.31Å; K332-L334 VanDerWaalsContact C-N 3.3Å; K332-L334 PolarHBondContact O-N 2.79Å; K332-H335 PolarHBondContact O-N 2.86Å; K332-M336 HydrophobicContact CG-SD 3.88Å; K332-M336 VanDerWaalsContact O-CG 3.29Å; K332-M336 WeakPolarHBondContact O-CG 3.37Å; K332-M336 PolarHBondContact O-N 2.84Å
333A97.3Very high91.8Very high0 Ų062 Ų620%031%0.312CS..Hα-helixtrans-57.9-42.6176.700000112.3I61 I325 E329 W330 S337 S351 L353I61-A333 HydrophobicContact CD1-CB 3.73Å; I325-A333 HydrophobicContact CB-CB 4.19Å; I325-A333 HydrophobicContact CD1-CB 3.67Å; I325-A333 HydrophobicContact CG2-CB 4.04Å; E329-A333 PolarHBondContact O-N 3.37Å; W330-A333 PolarHBondContact O-N 2.78Å; A333-S337 VanDerWaalsContact O-CB 3.29Å; A333-S337 WeakPolarHBondContact O-CB 3.36Å; A333-S337 PolarHBondContact O-N 3.34Å; A333-S337 VanDerWaalsContact O-N 3.13Å; A333-S337 PolarHBondContact O-OG 3.44Å; A333-S351 PolarHBondContact O-OG 3.42Å; A333-L353 HydrophobicContact CB-CD2 3.57Å
334L97.5Very high90.8Very high1 Ų161 Ų611%0.00531%0.311CS..Hα-helixtrans-61.3-52.2176.517864.4000111.2P33 E34 L37 I66 W330 R331 K332 M336 S337 L338P33-L334 HydrophobicContact CB-CD1 3.89Å; P33-L334 HydrophobicContact CB-CD2 4.01Å; P33-L334 HydrophobicContact CB-CG 4.46Å; E34-L334 HydrophobicContact CG-CD2 3.92Å; E34-L334 HydrophobicContact CG-CG 4.36Å; L37-L334 HydrophobicContact CD1-CD1 4.3Å; L37-L334 HydrophobicContact CD1-CD2 3.73Å; I66-L334 HydrophobicContact CD1-CD1 3.38Å; W330-L334 HydrophobicContact CE3-CD2 4.38Å; W330-L334 HydrophobicContact CZ3-CD2 3.93Å; W330-L334 VanDerWaalsContact O-CB 3.26Å; W330-L334 WeakPolarHBondContact O-CB 3.39Å; W330-L334 PolarHBondContact O-N 3.17Å; R331-L334 PolarHBondContact O-N 2.88Å; K332-L334 VanDerWaalsContact C-N 3.3Å; K332-L334 PolarHBondContact O-N 2.79Å; L334-M336 VanDerWaalsContact C-N 3.32Å; L334-M336 PolarHBondContact O-N 3.23Å; L334-S337 CarbonylContact O-C 3.51Å; L334-S337 WeakPolarHBondContact O-CA 3.31Å; L334-S337 WeakPolarHBondContact O-CB 3.23Å; L334-S337 PolarHBondContact O-N 3.22Å; L334-L338 PolarHBondContact O-N 3.18Å; L334-L338 VanDerWaalsContact O-N 3.1Å
335H95.3Very high90Very high122 Ų12261.5 Ų61.557%0.56532%0.321SS*.Hα-helixtrans-55.6-46-179.9-173.672.7000112E34 R331 K332 S337 L338E34-H335 IonicContact OE1-CG 3.61Å; E34-H335 IonicContact OE1-ND1 3.41Å; E34-H335 PolarHBondContact OE1-ND1 3.46Å; R331-H335 WeakPolarHBondContact O-CB 3.38Å; R331-H335 PolarHBondContact O-N 2.68Å; K332-H335 PolarHBondContact O-N 2.86Å; H335-S337 PolarHBondContact O-N 3.07Å; H335-L338 PolarHBondContact O-N 2.71Å
336M93.2Very high89.1Confident62 Ų6264.9 Ų64.931%0.30534%0.344SS..Hα-helixtrans-63.6-26.1175.5-66.616865.700113.2E323 I325 K332 L334 R348E323-M336 VanDerWaalsContact OE2-CE 3.31Å; E323-M336 WeakPolarHBondContact OE2-CE 3.32Å; I325-M336 HydrophobicContact CD1-CE 4.12Å; I325-M336 HydrophobicContact CD1-SD 3.71Å; K332-M336 HydrophobicContact CG-SD 3.88Å; K332-M336 VanDerWaalsContact O-CG 3.29Å; K332-M336 WeakPolarHBondContact O-CG 3.37Å; K332-M336 PolarHBondContact O-N 2.84Å; L334-M336 VanDerWaalsContact C-N 3.32Å; L334-M336 PolarHBondContact O-N 3.23Å; M336-R348 PolarHBondContact O-NH2 3.39Å
337S94.5Very high88.4Confident12 Ų1264.6 Ų64.68%0.08434%0.34CS..Hα-helixtrans-89.4-11.1-177.5-63.40000113.9I61 A333 L334 H335 R348 S351I61-S337 WeakPolarHBondContact CB-OG 3.28Å; A333-S337 VanDerWaalsContact O-CB 3.29Å; A333-S337 WeakPolarHBondContact O-CB 3.36Å; A333-S337 PolarHBondContact O-N 3.34Å; A333-S337 VanDerWaalsContact O-N 3.13Å; A333-S337 PolarHBondContact O-OG 3.44Å; L334-S337 CarbonylContact O-C 3.51Å; L334-S337 WeakPolarHBondContact O-CA 3.31Å; L334-S337 WeakPolarHBondContact O-CB 3.23Å; L334-S337 PolarHBondContact O-N 3.22Å; H335-S337 PolarHBondContact O-N 3.07Å; S337-R348 VanDerWaalsContact CA-NH2 3.34Å; S337-R348 PolarHBondContact O-NH2 3.42Å; S337-S351 WeakPolarHBondContact OG-CB 3.48Å; S337-S351 PolarHBondContact OG-OG 3.14Å
338L91.2Very high87.9Confident48 Ų4869.7 Ų69.725%0.25136%0.359SS..SBendtrans-66.8134.7172.3-65.2179.1000111E34 I66 L334 H335 R348E34-L338 HydrophobicContact CG-CD1 4.03Å; I66-L338 HydrophobicContact CD1-CD2 4.43Å; I66-L338 HydrophobicContact CG2-CD2 4.05Å; L334-L338 PolarHBondContact O-N 3.18Å; L334-L338 VanDerWaalsContact O-N 3.1Å; H335-L338 PolarHBondContact O-N 2.71Å; L338-R348 PolarHBondContact O-NH2 2.79Å
339F79.4Confident87.7Confident78 Ų7869.7 Ų69.734%0.34236%0.359SS..  trans-82.3136.5178.1175.7-97.8000110.4M265 D341M265-F339 HydrophobicContact CB-CE2 4.39Å; M265-F339 HydrophobicContact CB-CZ 4.35Å; M265-F339 HydrophobicContact CE-CB 4.05Å; M265-F339 HydrophobicContact CE-CD1 4.38Å; M265-F339 HydrophobicContact CE-CD2 3.42Å; M265-F339 VanDerWaalsContact CE-CD2 3.42Å; M265-F339 HydrophobicContact CE-CE2 3.91Å; M265-F339 HydrophobicContact CE-CG 3.69Å; M265-F339 VanDerWaalsContact O-CE1 3.3Å; M265-F339 WeakPolarHBondContact O-CE1 3.5Å; F339-D341 HydrophobicContact CE1-CB 4.35Å; F339-D341 VanDerWaalsContact CE1-OD1 3.26Å; F339-D341 WeakPolarHBondContact CE1-OD1 3.1Å; F339-D341 WeakPolarHBondContact CZ-OD1 3.24Å
340S78.3Confident87.6Confident73 Ų7366.8 Ų66.851%0.5135%0.345SS..  trans-123.7139.5168.2174.80000108.9S342S340-S342 PolarHBondContact O-N 3.49Å; S340-S342 WeakPolarHBondContact OG-CB 3.23Å; S340-S342 PolarHBondContact OG-N 3.15Å; S340-S342 PolarHBondContact OG-OG 2.82Å
341D71.8Confident87.6Confident88 Ų8866.6 Ų66.647%0.47134%0.344SS..  trans-78.5-2.8174.7-94.6-41.7000113.6R195 F339R195-D341 IonicContact NH1-OD1 2.77Å; R195-D341 IonicContact NH2-OD1 2.97Å; R195-D341 PolarHBondContact NH2-OD1 3.09Å; F339-D341 HydrophobicContact CE1-CB 4.35Å; F339-D341 VanDerWaalsContact CE1-OD1 3.26Å; F339-D341 WeakPolarHBondContact CE1-OD1 3.1Å; F339-D341 WeakPolarHBondContact CZ-OD1 3.24Å
342S78.1Confident87.7Confident73 Ų7360 Ų6051%0.5132%0.319SS..SBendtrans-56153.3173.657.80000112.1S340 P344S340-S342 PolarHBondContact O-N 3.49Å; S340-S342 WeakPolarHBondContact OG-CB 3.23Å; S340-S342 PolarHBondContact OG-N 3.15Å; S340-S342 PolarHBondContact OG-OG 2.82Å; S342-P344 VanDerWaalsContact O-CD 3.31Å; S342-P344 WeakPolarHBondContact O-CD 3.49Å; S342-P344 VanDerWaalsContact O-N 3.14Å
343V75.4Confident87.7Confident92 Ų9255.4 Ų55.456%0.55830%0.3SS*.PPolyproline II helixtrans-53.7121.3173.61790000108.8T345V343-T345 PolarHBondContact O-N 3.2Å
344P77Confident87.8Confident42 Ų4257.6 Ų57.627%0.27331%0.311SS..PPolyproline II helixtrans-63.4130.6177.1-20.132000109.8R197 S342R197-P344 WeakPolarHBondContact CD-O 3.5Å; S342-P344 VanDerWaalsContact O-CD 3.31Å; S342-P344 WeakPolarHBondContact O-CD 3.49Å; S342-P344 VanDerWaalsContact O-N 3.14Å
345T80.9Confident87.7Confident115 Ų11558 Ų5871%0.70631%0.312SS*.  trans-87.8-22.717851.20000112.5V343V343-T345 PolarHBondContact O-N 3.2Å
346S80Confident86.9Confident71 Ų7160.6 Ų60.650%0.49733%0.325SS..SBendtrans-151.5176.6-177.565.80000112.5R348S346-R348 PolarHBondContact O-N 3.44Å
347I83.7Confident86.6Confident39 Ų3960.6 Ų60.620%0.233%0.326CS..PPolyproline II helixtrans-66.3118.7172.3-65.3150.8000109.1E205 L209 P321E205-I347 HydrophobicContact CG-CD1 4.07Å; L209-I347 HydrophobicContact CB-CD1 4.29Å; L209-I347 HydrophobicContact CD2-CB 4.34Å; L209-I347 HydrophobicContact CD2-CD1 3.73Å; L209-I347 HydrophobicContact CD2-CG1 3.8Å; L209-I347 HydrophobicContact CD2-CG2 3.56Å; L209-I347 HydrophobicContact CG-CD1 4.5Å; P321-I347 HydrophobicContact CB-CG2 4.15Å; P321-I347 HydrophobicContact CG-CG2 3.92Å
348R86.2Confident86.2Confident112 Ų11263.1 Ų63.142%0.42334%0.339SS..PPolyproline II helixtrans-72.5130.9177.4-167.1175.1-171.3-168.11.2110.9M336 S337 L338 S346M336-R348 PolarHBondContact O-NH2 3.39Å; S337-R348 VanDerWaalsContact CA-NH2 3.34Å; S337-R348 PolarHBondContact O-NH2 3.42Å; L338-R348 PolarHBondContact O-NH2 2.79Å; S346-R348 PolarHBondContact O-N 3.44Å
349K93.5Very high85.9Confident111 Ų11163.9 Ų63.948%0.48334%0.344SS..PPolyproline II helixtrans-100.3139.3172.5-62.5180-175.2176.80110.3P321 E323P321-K349 HydrophobicContact CB-CG 4.06Å; P321-K349 CarbonylContact O-C 3.55Å; P321-K349 WeakPolarHBondContact O-CA 3.39Å; E323-K349 HydrophobicContact CB-CB 4.34Å; E323-K349 HydrophobicContact CB-CD 4.37Å
350K94.9Very high86.3Confident25 Ų2563.1 Ų63.111%0.10934%0.344CS..EExtended strand (participates in β ladder)trans-72.1128.6170.3171.7175.2-74.4-720109.9P60 I61 N62 T142 N146 P321 F322 E323 V352P60-K350 HydrophobicContact CB-CD 3.92Å; P60-K350 HydrophobicContact CB-CG 4.33Å; I61-K350 PolarHBondContact O-NZ 3.43Å; N62-K350 PolarHBondContact OD1-NZ 3.19Å; T142-K350 HydrophobicContact CG2-CD 3.9Å; N146-K350 WeakPolarHBondContact ND2-CE 3.18Å; N146-K350 PolarHBondContact ND2-NZ 3.15Å; P321-K350 PolarHBondContact O-N 3.44Å; F322-K350 CarbonylContact C-O 3.52Å; F322-K350 WeakPolarHBondContact CA-O 3.35Å; F322-K350 HydrophobicContact CB-CB 4.18Å; F322-K350 VanDerWaalsContact CB-O 3.32Å; F322-K350 WeakPolarHBondContact CB-O 3.49Å; E323-K350 PolarHBondContact N-O 2.91Å; K350-V352 HydrophobicContact CG-CG2 4.31Å
351S97.6Very high86.8Confident0 Ų062.5 Ų62.50%033%0.333CS..EExtended strand (participates in β ladder)trans-74.4128.5169.7-580000110.7P60 I61 A333 S337P60-S351 WeakPolarHBondContact CA-O 3.35Å; I61-S351 PolarHBondContact N-O 3.06Å; A333-S351 PolarHBondContact O-OG 3.42Å; S337-S351 WeakPolarHBondContact OG-CB 3.48Å; S337-S351 PolarHBondContact OG-OG 3.14Å
352V98.3Very high87.8Confident0 Ų060.8 Ų60.80%032%0.324CS..EExtended strand (participates in β ladder)trans-119.2112.8173.7-1770000108A58 P60 T142 F322 E323 E324 I325 K350 I354A58-V352 HydrophobicContact CB-CG1 3.96Å; P60-V352 HydrophobicContact CB-CG2 4.42Å; T142-V352 HydrophobicContact CG2-CG2 4.35Å; F322-V352 HydrophobicContact CB-CG2 4.07Å; F322-V352 HydrophobicContact CD2-CG2 3.99Å; F322-V352 HydrophobicContact CG-CG2 4.37Å; E323-V352 PolarHBondContact O-N 3.02Å; E324-V352 WeakPolarHBondContact CA-O 3.41Å; I325-V352 PolarHBondContact N-O 2.78Å; K350-V352 HydrophobicContact CG-CG2 4.31Å; V352-I354 HydrophobicContact CG1-CD1 4.1Å
353L98.4Very high88.5Confident0 Ų059.9 Ų59.90%031%0.311CS..EExtended strand (participates in β ladder)trans-70.5128175.7-61.3170.3000108.9A58 A59 I61 W117 I325 F327 W330 A333 M355A58-L353 CarbonylContact C-O 3.52Å; A58-L353 WeakPolarHBondContact CA-O 3.31Å; A59-L353 PolarHBondContact N-O 2.87Å; A59-L353 WeakPolarHBondContact O-CB 3.44Å; A59-L353 PolarHBondContact O-N 3.47Å; I61-L353 HydrophobicContact CD1-CD1 4.41Å; I61-L353 HydrophobicContact CD1-CG 4.43Å; I61-L353 HydrophobicContact CG1-CD1 4.34Å; I61-L353 HydrophobicContact CG1-CG 4.41Å; W117-L353 HydrophobicContact CB-CD1 4.38Å; W117-L353 HydrophobicContact CD2-CD1 4.13Å; W117-L353 HydrophobicContact CG-CD1 3.91Å; I325-L353 CarbonylContact O-C 3.54Å; I325-L353 WeakPolarHBondContact O-CA 3.41Å; F327-L353 HydrophobicContact CD2-CB 4.28Å; F327-L353 HydrophobicContact CD2-CD1 4.15Å; F327-L353 HydrophobicContact CE2-CD1 4.33Å; W330-L353 HydrophobicContact CB-CD2 3.94Å; A333-L353 HydrophobicContact CB-CD2 3.57Å; L353-M355 HydrophobicContact CB-CE 4.22Å
354I98.2Very high89.5Confident46 Ų4657.5 Ų57.524%0.23629%0.292CS..EExtended strand (participates in β ladder)trans-103.8121.2174.9-55.6-55.1000109.4A58 E324 I325 F327 V352A58-I354 HydrophobicContact CB-CD1 3.92Å; E324-I354 HydrophobicContact CB-CD1 4.13Å; E324-I354 HydrophobicContact CB-CG1 3.71Å; E324-I354 HydrophobicContact CG-CD1 3.96Å; E324-I354 HydrophobicContact CG-CG1 4.12Å; I325-I354 PolarHBondContact O-N 3.35Å; F327-I354 VanDerWaalsContact CB-O 3.28Å; F327-I354 WeakPolarHBondContact CB-O 3.39Å; F327-I354 PolarHBondContact N-O 2.92Å; V352-I354 HydrophobicContact CG1-CD1 4.1Å
355M95.2Very high90.6Very high8 Ų858.8 Ų58.84%0.03929%0.294CS..PPolyproline II helixtrans-89.8116.9-179.2-50.9-61.3176.600108.7V56 C57 A59 T119 F327 L353V56-M355 HydrophobicContact CB-CG 4.05Å; V56-M355 HydrophobicContact CG1-CE 4.33Å; V56-M355 HydrophobicContact CG1-CG 3.82Å; V56-M355 WeakPolarHBondContact O-CB 3.46Å; C57-M355 PolarHBondContact O-N 3.05Å; A59-M355 HydrophobicContact CB-CE 3.98Å; T119-M355 HydrophobicContact CG2-CB 4.44Å; T119-M355 HydrophobicContact CG2-SD 4.35Å; F327-M355 HydrophobicContact CB-SD 3.67Å; F327-M355 HydrophobicContact CD1-SD 3.79Å; F327-M355 HydrophobicContact CD2-CE 3.61Å; F327-M355 HydrophobicContact CD2-SD 3.29Å; F327-M355 WeakPolarHBondContact CD2-SD 3.36Å; F327-M355 HydrophobicContact CE1-SD 4.2Å; F327-M355 HydrophobicContact CE2-CE 3.7Å; F327-M355 HydrophobicContact CE2-SD 3.74Å; F327-M355 HydrophobicContact CG-CE 4.27Å; F327-M355 HydrophobicContact CG-SD 3.31Å; F327-M355 WeakPolarHBondContact CG-SD 3.39Å; F327-M355 HydrophobicContact CZ-CE 4.44Å; F327-M355 HydrophobicContact CZ-SD 4.17Å; L353-M355 HydrophobicContact CB-CE 4.22Å
356E80Confident91.5Very high178 Ų17853.6 Ų53.683%0.83226%0.256SS*.  trans-72.30-176.5-67178.6178.200113.9K55K55-E356 WeakPolarHBondContact CE-O 3.35Å; K55-E356 VanDerWaalsContact NZ-C 3.29Å; K55-E356 PolarHBondContact NZ-O 2.83Å; K55-E356 VanDerWaalsContact NZ-O 3.13Å; K55-E356 PolarHBondContact NZ-OXT 3.33Å

Retrieved 356 of 356 residues in 217.3 ms (Link to these results)

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