A0A087WZI3_HUMAN Loading...

single-stranded DNA cytosine deaminase

AlphaFold DB , UniProt , Accession A0A087WZI3, Species HUMAN (Homo sapiens, Human), Gene APOBEC3H, Length 154 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M52.2Low82.3Confident186 Ų18699.2 Ų99.292%0.91653%0.532SS*.  0129.20-72.7-158.7128.100109.1L3 R44M1-L3 PolarHBondContact O-N 3.33Å; M1-R44 WeakPolarHBondContact CE-O 3.46Å
2A72.3Confident82.9Confident75 Ų7592.8 Ų92.862%0.6250%0.497SS*.PPolyproline II helixtrans-76.1119.6173.800000108.7Y46A2-Y46 HydrophobicContact CB-CE1 4.03Å; A2-Y46 WeakPolarHBondContact O-CE1 3.34Å
3L83.6Confident83.3Confident152 Ų15287.4 Ų87.480%0.79647%0.466SS*.PPolyproline II helixtrans-94.5144.5171.4-67.1173000108.8M1M1-L3 PolarHBondContact O-N 3.33Å
4L85.3Confident83.6Confident44 Ų4483.5 Ų83.523%0.2345%0.445CS..PPolyproline II helixtrans-66139.2168.7-68.1170.1000109.5T8 L29 C31 Y46L4-T8 HydrophobicContact CD2-CG2 4.05Å; L4-L29 HydrophobicContact CD1-CD2 3.84Å; L4-L29 HydrophobicContact CD2-CD1 4.27Å; L4-L29 HydrophobicContact CD2-CD2 4.26Å; L4-C31 WeakPolarHBondContact CD1-SG 3.44Å; L4-Y46 HydrophobicContact CD2-CD1 4.14Å; L4-Y46 HydrophobicContact CD2-CD2 3.81Å; L4-Y46 HydrophobicContact CD2-CE1 4.03Å; L4-Y46 HydrophobicContact CD2-CE2 3.69Å; L4-Y46 HydrophobicContact CD2-CG 4.04Å; L4-Y46 HydrophobicContact CG-CD1 4.05Å; L4-Y46 HydrophobicContact CG-CD2 4.47Å; L4-Y46 HydrophobicContact CG-CE1 4.21Å; L4-Y46 HydrophobicContact CG-CG 4.19Å
5T88.3Confident83.8Confident81 Ų8184.5 Ų84.550%0.49745%0.45SS..PPolyproline II helixtrans-68.1148.8170.668.70000109.9E7 T8 F9T5-E7 PolarHBondContact O-N 2.8Å; T5-T8 PolarHBondContact O-N 3.21Å; T5-T8 WeakPolarHBondContact OG1-CB 3.29Å; T5-T8 PolarHBondContact OG1-N 3.36Å; T5-T8 VanDerWaalsContact OG1-N 3.16Å; T5-T8 PolarHBondContact OG1-OG1 3.35Å; T5-F9 PolarHBondContact O-N 3.33Å
6A86.6Confident83.9Confident85 Ų8586 Ų8670%0.70245%0.452SS*.Hα-helixtrans-56.4-35.2177.600000112.2R10A6-R10 WeakPolarHBondContact O-CB 3.32Å; A6-R10 PolarHBondContact O-N 3.17Å
7E86.9Confident83.7Confident122 Ų12293.1 Ų93.157%0.5747%0.471SS*.Hα-helixtrans-65.7-46.5174.6-176.3174-158.900112.3T5 F9 R10 L11T5-E7 PolarHBondContact O-N 2.8Å; E7-F9 VanDerWaalsContact C-N 3.31Å; E7-F9 PolarHBondContact O-N 2.94Å; E7-R10 PolarHBondContact O-N 3.38Å; E7-L11 HydrophobicContact CG-CD1 3.78Å; E7-L11 HydrophobicContact CG-CG 4.24Å; E7-L11 WeakPolarHBondContact O-CB 3.16Å; E7-L11 VanDerWaalsContact O-CG 3.3Å; E7-L11 WeakPolarHBondContact O-CG 2.9Å; E7-L11 PolarHBondContact O-N 3Å
8T87.9Confident83.6Confident42 Ų42100.2 Ų100.226%0.25849%0.491SS..Hα-helixtrans-59.1-46177.2-590000110.3L4 T5 R10 L11 Q12L4-T8 HydrophobicContact CD2-CG2 4.05Å; T5-T8 PolarHBondContact O-N 3.21Å; T5-T8 WeakPolarHBondContact OG1-CB 3.29Å; T5-T8 PolarHBondContact OG1-N 3.36Å; T5-T8 VanDerWaalsContact OG1-N 3.16Å; T5-T8 PolarHBondContact OG1-OG1 3.35Å; T8-R10 PolarHBondContact O-N 2.97Å; T8-L11 PolarHBondContact O-N 3.31Å; T8-Q12 HydrophobicContact CG2-CG 3.95Å; T8-Q12 VanDerWaalsContact O-CB 3.28Å; T8-Q12 WeakPolarHBondContact O-CB 3.48Å; T8-Q12 VanDerWaalsContact O-CG 3.24Å; T8-Q12 WeakPolarHBondContact O-CG 3.2Å; T8-Q12 PolarHBondContact O-N 3.38Å
9F87.6Confident83.5Confident108 Ų10897.1 Ų97.147%0.47448%0.477SS..Hα-helixtrans-57.2-52.7175.7-179.3-95.4000111.2T5 E7 L11 Q12 F13T5-F9 PolarHBondContact O-N 3.33Å; E7-F9 VanDerWaalsContact C-N 3.31Å; E7-F9 PolarHBondContact O-N 2.94Å; F9-L11 VanDerWaalsContact C-N 3.33Å; F9-L11 PolarHBondContact O-N 3.47Å; F9-Q12 PolarHBondContact O-N 2.9Å; F9-F13 AromaticContact CD2-CD2 3.43Å; F9-F13 HydrophobicContact CD2-CD2 3.43Å; F9-F13 VanDerWaalsContact CD2-CD2 3.43Å; F9-F13 AromaticContact CD2-CE2 3.74Å; F9-F13 HydrophobicContact CD2-CE2 3.74Å; F9-F13 HydrophobicContact CD2-CG 4.1Å; F9-F13 HydrophobicContact CE2-CB 4.35Å; F9-F13 HydrophobicContact CE2-CD1 4.37Å; F9-F13 AromaticContact CE2-CD2 3.61Å; F9-F13 HydrophobicContact CE2-CD2 3.61Å; F9-F13 AromaticContact CE2-CE2 3.93Å; F9-F13 HydrophobicContact CE2-CE2 3.93Å; F9-F13 AromaticContact CE2-CG 3.86Å; F9-F13 HydrophobicContact CE2-CG 3.86Å; F9-F13 HydrophobicContact CE2-CZ 4.45Å; F9-F13 HydrophobicContact CG-CD2 4.14Å; F9-F13 HydrophobicContact CZ-CB 4.39Å; F9-F13 HydrophobicContact CZ-CD2 4.45Å; F9-F13 HydrophobicContact CZ-CG 4.33Å; F9-F13 WeakPolarHBondContact O-CB 3.34Å; F9-F13 PolarHBondContact O-N 2.82Å
10R85.3Confident83.3Confident163 Ų163102.1 Ų102.162%0.61549%0.49SS*.Hα-helixtrans-58-42.2-178.9-172.9-172.770.8102-0.6112.7A6 E7 T8 N14A6-R10 WeakPolarHBondContact O-CB 3.32Å; A6-R10 PolarHBondContact O-N 3.17Å; E7-R10 PolarHBondContact O-N 3.38Å; T8-R10 PolarHBondContact O-N 2.97Å; R10-N14 WeakPolarHBondContact O-CB 3.48Å
11L88.9Confident83.1Confident33 Ų33107 Ų10717%0.17350%0.504CS..Hα-helixtrans-74.3-47.9-179-66.1174.7000111.2E7 T8 F9 N14 Y24E7-L11 HydrophobicContact CG-CD1 3.78Å; E7-L11 HydrophobicContact CG-CG 4.24Å; E7-L11 WeakPolarHBondContact O-CB 3.16Å; E7-L11 VanDerWaalsContact O-CG 3.3Å; E7-L11 WeakPolarHBondContact O-CG 2.9Å; E7-L11 PolarHBondContact O-N 3Å; T8-L11 PolarHBondContact O-N 3.31Å; F9-L11 VanDerWaalsContact C-N 3.33Å; F9-L11 PolarHBondContact O-N 3.47Å; L11-N14 WeakPolarHBondContact O-CB 3.26Å; L11-Y24 HydrophobicContact CB-CD2 4.23Å; L11-Y24 HydrophobicContact CB-CE2 3.81Å; L11-Y24 HydrophobicContact CD2-CD1 4Å; L11-Y24 HydrophobicContact CD2-CD2 4.29Å; L11-Y24 HydrophobicContact CD2-CE1 3.55Å; L11-Y24 HydrophobicContact CD2-CE2 3.89Å; L11-Y24 HydrophobicContact CD2-CG 4.34Å; L11-Y24 VanDerWaalsContact CD2-CZ 3.47Å; L11-Y24 HydrophobicContact CG-CE2 4.42Å; L11-Y24 WeakPolarHBondContact O-CE2 3.39Å
12Q89.9Confident84.6Confident23 Ų23103.5 Ų103.511%0.10750%0.495CS..Hα-helixtrans-76.3-35.6-172.4-59.9-55.6-27.700112.8T8 F9 N14 L29 T81 R110T8-Q12 HydrophobicContact CG2-CG 3.95Å; T8-Q12 VanDerWaalsContact O-CB 3.28Å; T8-Q12 WeakPolarHBondContact O-CB 3.48Å; T8-Q12 VanDerWaalsContact O-CG 3.24Å; T8-Q12 WeakPolarHBondContact O-CG 3.2Å; T8-Q12 PolarHBondContact O-N 3.38Å; F9-Q12 PolarHBondContact O-N 2.9Å; Q12-N14 VanDerWaalsContact C-N 3.34Å; Q12-L29 HydrophobicContact CB-CD2 4.05Å; Q12-L29 HydrophobicContact CG-CD2 4.44Å; Q12-T81 HydrophobicContact CB-CG2 4Å; Q12-T81 WeakPolarHBondContact O-CB 3.46Å; Q12-T81 WeakPolarHBondContact O-CG2 3.1Å; Q12-R110 VanDerWaalsContact O-CZ 3.3Å; Q12-R110 PolarHBondContact O-NH1 3.04Å; Q12-R110 PolarHBondContact O-NH2 2.73Å
13F88.4Confident85.2Confident22 Ų22107.7 Ų107.710%0.09650%0.496CS..THydrogen-bonded Turntrans-88.15.9177.4-74-91.9000114.3F9 N15 L29 T81 S109 M136F9-F13 AromaticContact CD2-CD2 3.43Å; F9-F13 HydrophobicContact CD2-CD2 3.43Å; F9-F13 VanDerWaalsContact CD2-CD2 3.43Å; F9-F13 AromaticContact CD2-CE2 3.74Å; F9-F13 HydrophobicContact CD2-CE2 3.74Å; F9-F13 HydrophobicContact CD2-CG 4.1Å; F9-F13 HydrophobicContact CE2-CB 4.35Å; F9-F13 HydrophobicContact CE2-CD1 4.37Å; F9-F13 AromaticContact CE2-CD2 3.61Å; F9-F13 HydrophobicContact CE2-CD2 3.61Å; F9-F13 AromaticContact CE2-CE2 3.93Å; F9-F13 HydrophobicContact CE2-CE2 3.93Å; F9-F13 AromaticContact CE2-CG 3.86Å; F9-F13 HydrophobicContact CE2-CG 3.86Å; F9-F13 HydrophobicContact CE2-CZ 4.45Å; F9-F13 HydrophobicContact CG-CD2 4.14Å; F9-F13 HydrophobicContact CZ-CB 4.39Å; F9-F13 HydrophobicContact CZ-CD2 4.45Å; F9-F13 HydrophobicContact CZ-CG 4.33Å; F9-F13 WeakPolarHBondContact O-CB 3.34Å; F9-F13 PolarHBondContact O-N 2.82Å; F13-N15 PolarHBondContact O-N 2.94Å; F13-L29 HydrophobicContact CD2-CD2 4.39Å; F13-L29 HydrophobicContact CE2-CD2 3.64Å; F13-L29 HydrophobicContact CE2-CG 4.48Å; F13-L29 HydrophobicContact CZ-CD2 4.36Å; F13-T81 HydrophobicContact CD1-CG2 3.94Å; F13-T81 HydrophobicContact CD2-CG2 3.85Å; F13-T81 HydrophobicContact CE1-CG2 3.87Å; F13-T81 HydrophobicContact CE2-CG2 3.8Å; F13-T81 HydrophobicContact CG-CG2 3.93Å; F13-T81 HydrophobicContact CZ-CG2 3.8Å; F13-S109 PolarHBondContact O-OG 2.81Å; F13-M136 HydrophobicContact CD1-CE 3.98Å; F13-M136 HydrophobicContact CD1-SD 3.8Å; F13-M136 HydrophobicContact CE1-CE 4.07Å; F13-M136 HydrophobicContact CE1-SD 3.84Å
14N87Confident85.3Confident33 Ų33103 Ų10318%0.17647%0.468CS..  trans-64.5104.8176.9-178.62.7000112.4R10 L11 Q12 K16 Y24 R26 R110R10-N14 WeakPolarHBondContact O-CB 3.48Å; L11-N14 WeakPolarHBondContact O-CB 3.26Å; Q12-N14 VanDerWaalsContact C-N 3.34Å; N14-K16 VanDerWaalsContact C-N 3.28Å; N14-K16 PolarHBondContact O-N 2.77Å; N14-K16 VanDerWaalsContact OD1-CB 3.26Å; N14-K16 WeakPolarHBondContact OD1-CB 3.3Å; N14-K16 VanDerWaalsContact OD1-CG 3.23Å; N14-K16 WeakPolarHBondContact OD1-CG 3.35Å; N14-K16 PolarHBondContact OD1-N 2.88Å; N14-Y24 PolarHBondContact ND2-OH 3.32Å; N14-R26 PolarHBondContact O-NH1 3.47Å; N14-R110 VanDerWaalsContact C-NH1 3.3Å; N14-R110 PolarHBondContact O-NH1 3.36Å
15N86.4Confident85.3Confident98 Ų98105.6 Ų105.652%0.52449%0.487SS..  trans-825.9-178.466-3.2000114.6F13 R17 S109 R110F13-N15 PolarHBondContact O-N 2.94Å; N15-R17 PolarHBondContact O-N 3.07Å; N15-S109 WeakPolarHBondContact CB-O 3.39Å; N15-R110 HydrophobicContact CB-CG 4.18Å
16K86.2Confident85.2Confident109 Ų109104.3 Ų104.347%0.47447%0.473SS..  trans-58.8130.6175.8-72.1179.4-179.7-179.70110.9N14 R18 R26N14-K16 VanDerWaalsContact C-N 3.28Å; N14-K16 PolarHBondContact O-N 2.77Å; N14-K16 VanDerWaalsContact OD1-CB 3.26Å; N14-K16 WeakPolarHBondContact OD1-CB 3.3Å; N14-K16 VanDerWaalsContact OD1-CG 3.23Å; N14-K16 WeakPolarHBondContact OD1-CG 3.35Å; N14-K16 PolarHBondContact OD1-N 2.88Å; K16-R18 VanDerWaalsContact C-N 3.33Å; K16-R18 PolarHBondContact O-N 3.16Å; K16-R26 PolarHBondContact O-NH1 2.92Å
17R80.1Confident85.3Confident206 Ų206105.5 Ų105.578%0.77746%0.463SS*.SBendtrans-57.4-45.6178.4-73.5-171.1174.8-167.5-2111.9N15 Y152N15-R17 PolarHBondContact O-N 3.07Å; R17-Y152 PolarHBondContact NH2-OH 2.77Å; R17-Y152 VanDerWaalsContact NH2-OH 3.12Å
18R81.1Confident85.4Confident222 Ų222100.9 Ų100.984%0.83845%0.446SS*.SBendtrans-112.3130.9176.8-65.8-177.7-179.1173.50.7110.1K16K16-R18 VanDerWaalsContact C-N 3.33Å; K16-R18 PolarHBondContact O-N 3.16Å
19L82.6Confident85.6Confident41 Ų4199.1 Ų99.122%0.21543%0.434CS..PPolyproline II helixtrans-74.2140.4173.4-69.8174.9000109.8Y23 Y24 R26L19-Y23 HydrophobicContact CB-CD1 4.32Å; L19-Y24 WeakPolarHBondContact CD1-O 3.39Å; L19-Y24 HydrophobicContact CD2-CE1 4.2Å; L19-Y24 HydrophobicContact CD2-CE2 4.2Å; L19-R26 HydrophobicContact CD1-CG 4.37Å; L19-R26 HydrophobicContact CD2-CG 4.48Å
20R79.7Confident85.9Confident197 Ų19794.1 Ų94.174%0.74341%0.413SS*.PPolyproline II helixtrans-87.8149.8167.6-66.1-171.5176.6-173.2-2.3108.4
21R79.5Confident86.4Confident205 Ų20587.4 Ų87.477%0.77439%0.391SS*.SBendtrans-59.8145.9173.5-66.7-177.2179.9-170.9-0.4110.1Y23R21-Y23 HydrophobicContact CG-CD2 4.48Å; R21-Y23 HydrophobicContact CG-CE1 4.34Å; R21-Y23 HydrophobicContact CG-CE2 3.99Å
22P83.2Confident86.6Confident112 Ų11286.5 Ų86.573%0.72739%0.385SS*.SBendcis-73145.5-2.931-34.7000112.4Y24P22-Y24 WeakPolarHBondContact O-CD1 3.31Å
23Y84.2Confident86.8Confident164 Ų16487.9 Ų87.964%0.64339%0.391SS*.PPolyproline II helixtrans-73.3140.3178.5-59.9-62.5000110.9L19 R21L19-Y23 HydrophobicContact CB-CD1 4.32Å; R21-Y23 HydrophobicContact CG-CD2 4.48Å; R21-Y23 HydrophobicContact CG-CE1 4.34Å; R21-Y23 HydrophobicContact CG-CE2 3.99Å
24Y85.6Confident87.1Confident53 Ų5387 Ų8721%0.20839%0.388CS..  trans-141.6149.9173.956.8-90.5000110L11 N14 L19 P22 R26L11-Y24 HydrophobicContact CB-CD2 4.23Å; L11-Y24 HydrophobicContact CB-CE2 3.81Å; L11-Y24 HydrophobicContact CD2-CD1 4Å; L11-Y24 HydrophobicContact CD2-CD2 4.29Å; L11-Y24 HydrophobicContact CD2-CE1 3.55Å; L11-Y24 HydrophobicContact CD2-CE2 3.89Å; L11-Y24 HydrophobicContact CD2-CG 4.34Å; L11-Y24 VanDerWaalsContact CD2-CZ 3.47Å; L11-Y24 HydrophobicContact CG-CE2 4.42Å; L11-Y24 WeakPolarHBondContact O-CE2 3.39Å; N14-Y24 PolarHBondContact ND2-OH 3.32Å; L19-Y24 WeakPolarHBondContact CD1-O 3.39Å; L19-Y24 HydrophobicContact CD2-CE1 4.2Å; L19-Y24 HydrophobicContact CD2-CE2 4.2Å; P22-Y24 WeakPolarHBondContact O-CD1 3.31Å; Y24-R26 HydrophobicContact CD2-CG 4.39Å; Y24-R26 HydrophobicContact CE2-CG 3.96Å; Y24-R26 PolarHBondContact O-N 3.38Å
25P85.2Confident87.4Confident99 Ų9987.2 Ų87.264%0.64339%0.39SS*.  trans-71.6130.8176.528.9-33.3000110.7
26R87.1Confident87.7Confident53 Ų5383.1 Ų83.120%0.237%0.369CS..  trans-91.2101.2170.1-70.8-175.2-66.7-173.1-2.5109.3N14 K16 L19 Y24 W82 R110N14-R26 PolarHBondContact O-NH1 3.47Å; K16-R26 PolarHBondContact O-NH1 2.92Å; L19-R26 HydrophobicContact CD1-CG 4.37Å; L19-R26 HydrophobicContact CD2-CG 4.48Å; Y24-R26 HydrophobicContact CD2-CG 4.39Å; Y24-R26 HydrophobicContact CE2-CG 3.96Å; Y24-R26 PolarHBondContact O-N 3.38Å; R26-W82 HydrophobicContact CB-CZ2 4.45Å; R26-W82 PolarHBondContact O-NE1 3.03Å; R26-R110 VanDerWaalsContact NH1-CD 3.25Å
27K88.7Confident87.9Confident110 Ų11083.5 Ų83.548%0.47837%0.373SS..  trans-76156.2179.6-61.3-178180178.80111.1L29 E48 T81K27-L29 PolarHBondContact O-N 2.83Å; K27-E48 IonicContact NZ-OE2 3.64Å; K27-T81 PolarHBondContact O-OG1 3.37Å
28A88.9Confident88.3Confident26 Ų2677.9 Ų77.922%0.21536%0.358CS..  trans-76.7115.7166.100000108.6N49 T81A28-N49 HydrophobicContact CB-CB 4.02Å; A28-N49 PolarHBondContact O-N 3Å; A28-T81 WeakPolarHBondContact CA-OG1 3.27Å
29L92.8Very high88.5Confident4 Ų470.6 Ų70.62%0.02135%0.352CS..EExtended strand (participates in β ladder)trans-129.4132.5179.8171.375.9000106.8L4 Q12 F13 K27 Y46 F47 E48 L80 T81L4-L29 HydrophobicContact CD1-CD2 3.84Å; L4-L29 HydrophobicContact CD2-CD1 4.27Å; L4-L29 HydrophobicContact CD2-CD2 4.26Å; Q12-L29 HydrophobicContact CB-CD2 4.05Å; Q12-L29 HydrophobicContact CG-CD2 4.44Å; F13-L29 HydrophobicContact CD2-CD2 4.39Å; F13-L29 HydrophobicContact CE2-CD2 3.64Å; F13-L29 HydrophobicContact CE2-CG 4.48Å; F13-L29 HydrophobicContact CZ-CD2 4.36Å; K27-L29 PolarHBondContact O-N 2.83Å; L29-Y46 HydrophobicContact CD1-CD2 3.62Å; L29-Y46 HydrophobicContact CD1-CE2 4.4Å; L29-Y46 HydrophobicContact CD1-CG 4.35Å; L29-F47 WeakPolarHBondContact CA-O 3.49Å; L29-E48 HydrophobicContact CD1-CG 3.56Å; L29-L80 WeakPolarHBondContact O-CA 3.41Å; L29-T81 HydrophobicContact CB-CG2 3.72Å; L29-T81 HydrophobicContact CD2-CG2 4.19Å; L29-T81 HydrophobicContact CG-CG2 4.36Å; L29-T81 PolarHBondContact N-OG1 3.41Å; L29-T81 PolarHBondContact O-N 2.98Å; L29-T81 PolarHBondContact O-OG1 2.94Å
30L94.1Very high88.8Confident4 Ų471.4 Ų71.42%0.02136%0.361CS..EExtended strand (participates in β ladder)trans-120119.7178.7-178.3159.7000107.3Y32 Y46 F47 A55 E56 F59 Y79 L80L30-Y32 HydrophobicContact CD2-CD1 4.19Å; L30-Y46 CarbonylContact O-C 3.42Å; L30-Y46 WeakPolarHBondContact O-CA 3.49Å; L30-Y46 WeakPolarHBondContact O-CB 3.24Å; L30-F47 HydrophobicContact CD2-CD2 4.45Å; L30-F47 PolarHBondContact N-O 2.66Å; L30-F47 PolarHBondContact O-N 2.76Å; L30-A55 HydrophobicContact CB-CB 3.78Å; L30-E56 HydrophobicContact CD1-CG 4.17Å; L30-F59 HydrophobicContact CD1-CB 4.01Å; L30-F59 HydrophobicContact CD1-CG 4.31Å; L30-F59 HydrophobicContact CD2-CB 4.06Å; L30-F59 HydrophobicContact CD2-CD2 4.09Å; L30-F59 HydrophobicContact CD2-CG 4.14Å; L30-Y79 WeakPolarHBondContact CA-O 3.41Å; L30-L80 HydrophobicContact CB-CG 4.29Å; L30-L80 HydrophobicContact CD1-CD2 4.19Å; L30-L80 HydrophobicContact CD1-CG 4.17Å; L30-L80 HydrophobicContact CG-CD1 4.43Å; L30-L80 HydrophobicContact CG-CG 4.06Å
31C93.8Very high89.3Confident22 Ų2268 Ų6815%0.14936%0.362CS..EExtended strand (participates in β ladder)trans-104.1134.1168.1-55.30000107.7L4 G45 C78 Y79L4-C31 WeakPolarHBondContact CD1-SG 3.44Å; C31-G45 CarbonylContact C-O 3.46Å; C31-G45 WeakPolarHBondContact CA-O 3.18Å; C31-C78 CarbonylContact O-C 3.6Å; C31-C78 WeakPolarHBondContact O-CA 3.3Å; C31-Y79 PolarHBondContact N-O 3.24Å; C31-Y79 PolarHBondContact O-N 3.11Å
32Y93.9Very high89.8Confident13 Ų1360.8 Ų60.85%0.05134%0.342CS..EExtended strand (participates in β ladder)trans-123.4150.9177.372-82.5000110.9L30 R44 G45 F47 F59 I63 M66 T77L30-Y32 HydrophobicContact CD2-CD1 4.19Å; Y32-R44 WeakPolarHBondContact O-CA 3.35Å; Y32-G45 WeakPolarHBondContact CD1-O 3.35Å; Y32-G45 VanDerWaalsContact CE1-C 3.41Å; Y32-G45 PolarHBondContact N-O 3.09Å; Y32-G45 PolarHBondContact O-N 2.62Å; Y32-G45 VanDerWaalsContact O-N 3.14Å; Y32-F47 HydrophobicContact CD1-CD2 4.16Å; Y32-F47 AromaticContact CD1-CE2 3.95Å; Y32-F47 HydrophobicContact CD1-CE2 3.95Å; Y32-F47 HydrophobicContact CE1-CD2 4.01Å; Y32-F47 AromaticContact CE1-CE2 3.41Å; Y32-F47 HydrophobicContact CE1-CE2 3.41Å; Y32-F47 VanDerWaalsContact CE1-CE2 3.41Å; Y32-F47 HydrophobicContact CE1-CZ 4.22Å; Y32-F59 AromaticContact CD1-CD2 3.92Å; Y32-F59 HydrophobicContact CD1-CD2 3.92Å; Y32-F59 HydrophobicContact CD1-CE2 4.37Å; Y32-F59 HydrophobicContact CD2-CD2 4.32Å; Y32-F59 AromaticContact CD2-CE2 3.97Å; Y32-F59 HydrophobicContact CD2-CE2 3.97Å; Y32-F59 AromaticContact CG-CD2 3.79Å; Y32-F59 HydrophobicContact CG-CD2 3.79Å; Y32-F59 AromaticContact CG-CE2 3.78Å; Y32-F59 HydrophobicContact CG-CE2 3.78Å; Y32-I63 HydrophobicContact CE2-CD1 4.34Å; Y32-M66 HydrophobicContact CE2-CE 4.17Å; Y32-M66 VanDerWaalsContact OH-CE 3.27Å; Y32-M66 WeakPolarHBondContact OH-CE 3.22Å; Y32-T77 CarbonylContact C-O 3.2Å; Y32-T77 VanDerWaalsContact CA-O 3.3Å; Y32-T77 WeakPolarHBondContact CA-O 3.38Å
33Q93.8Very high90.3Very high52 Ų5258 Ų5824%0.24332%0.323CS..EExtended strand (participates in β ladder)trans-127.4120.4167.4-178.8175.7-77.400108.2T35 P42 T43 R44 V76 T77Q33-T35 PolarHBondContact NE2-OG1 3.05Å; Q33-P42 HydrophobicContact CG-CB 4.19Å; Q33-T43 WeakPolarHBondContact CA-O 3.31Å; Q33-R44 HydrophobicContact CB-CG 4.32Å; Q33-R44 HydrophobicContact CG-CG 4.04Å; Q33-V76 CarbonylContact O-C 3.54Å; Q33-V76 WeakPolarHBondContact O-CA 3.43Å; Q33-T77 PolarHBondContact N-O 2.81Å; Q33-T77 PolarHBondContact O-N 3.34Å
34L94.3Very high90.7Very high4 Ų457.1 Ų57.12%0.02132%0.318CS..EExtended strand (participates in β ladder)trans-98.9115.7171.4179.575.6000107.9P42 T43 M66 L68 Y74 V76L34-P42 CarbonylContact O-C 3.19Å; L34-P42 WeakPolarHBondContact O-CA 3.46Å; L34-T43 PolarHBondContact N-O 3.05Å; L34-T43 PolarHBondContact O-N 2.79Å; L34-M66 HydrophobicContact CD2-SD 4.24Å; L34-L68 HydrophobicContact CD1-CD1 4.07Å; L34-L68 HydrophobicContact CD2-CD1 3.99Å; L34-L68 HydrophobicContact CD2-CD2 3.68Å; L34-Y74 HydrophobicContact CD1-CD1 4.04Å; L34-Y74 HydrophobicContact CD1-CG 4.09Å; L34-Y74 HydrophobicContact CD2-CD1 4.36Å; L34-Y74 HydrophobicContact CG-CD1 4.15Å; L34-V76 HydrophobicContact CD1-CG2 3.55Å
35T94.1Very high91Very high38 Ų3855.7 Ų55.723%0.23332%0.32CS..EExtended strand (participates in β ladder)trans-116.3108.9-179.6-61.30000109.2Q33 P42 Q75Q33-T35 PolarHBondContact NE2-OG1 3.05Å; T35-P42 HydrophobicContact CG2-CG 4.36Å; T35-Q75 PolarHBondContact N-O 2.99Å; T35-Q75 PolarHBondContact O-N 3.33Å
36P93.7Very high91.3Very high12 Ų1254.7 Ų54.78%0.07830%0.304CS..EExtended strand (participates in β ladder)trans-63.5136.3171.5-21.334.5000110.9N38 G39 Y74P36-N38 VanDerWaalsContact CB-OD1 3.24Å; P36-N38 WeakPolarHBondContact CB-OD1 3.34Å; P36-N38 PolarHBondContact O-N 3.21Å; P36-G39 PolarHBondContact O-N 2.99Å; P36-Y74 HydrophobicContact CB-CD1 3.94Å; P36-Y74 HydrophobicContact CB-CE1 3.93Å; P36-Y74 HydrophobicContact CG-CD1 3.9Å; P36-Y74 HydrophobicContact CG-CE1 3.87Å
37Q90.1Very high91.6Very high117 Ų11754 Ų5455%0.54730%0.302SS..THydrogen-bonded Turntrans-72.1-16.8-179.3-71.3-68.5-15.100113.6G39 C73Q37-G39 PolarHBondContact O-N 3.42Å; Q37-C73 HydrophobicContact CB-CB 4.29Å; Q37-C73 WeakPolarHBondContact CB-O 3.42Å; Q37-C73 HydrophobicContact CG-CB 3.93Å; Q37-C73 VanDerWaalsContact CG-O 3.29Å; Q37-C73 WeakPolarHBondContact CG-O 3.37Å; Q37-C73 PolarHBondContact N-O 2.85Å
38N87.4Confident91.6Very high88 Ų8852 Ų5247%0.47130%0.295SS..THydrogen-bonded Turntrans-74.83.1175.264.58.5000113.9P36 S40 Q72P36-N38 VanDerWaalsContact CB-OD1 3.24Å; P36-N38 WeakPolarHBondContact CB-OD1 3.34Å; P36-N38 PolarHBondContact O-N 3.21Å; N38-S40 VanDerWaalsContact C-N 3.35Å; N38-S40 PolarHBondContact ND2-OG 2.76Å; N38-S40 WeakPolarHBondContact OD1-CB 3.47Å; N38-S40 PolarHBondContact OD1-N 2.79Å; N38-S40 PolarHBondContact OD1-OG 2.74Å; N38-Q72 PolarHBondContact ND2-OE1 3.22Å
39G85.1Confident91.5Very high69 Ų6954.3 Ų54.371%0.71130%0.304SS*.SBendtrans83.27.7-179.900000114.5P36 Q37P36-G39 PolarHBondContact O-N 2.99Å; Q37-G39 PolarHBondContact O-N 3.42Å
40S89.1Confident90.9Very high57 Ų5761 Ų6140%0.39933%0.333SS..PPolyproline II helixtrans-62.9163.2173.7-61.90000112.2N38 P42N38-S40 VanDerWaalsContact C-N 3.35Å; N38-S40 PolarHBondContact ND2-OG 2.76Å; N38-S40 WeakPolarHBondContact OD1-CB 3.47Å; N38-S40 PolarHBondContact OD1-N 2.79Å; N38-S40 PolarHBondContact OD1-OG 2.74Å; S40-P42 WeakPolarHBondContact O-CD 3.39Å
41T89.8Confident89.9Confident125 Ų12571.4 Ų71.477%0.76738%0.378SS*.PPolyproline II helixtrans-59.6126.4-176.944.70000111.7
42P91.9Very high89.1Confident55 Ų5580.4 Ų80.436%0.35741%0.414SS..PPolyproline II helixtrans-66136.4177.7-22.332.7000111.9Q33 L34 T35 S40Q33-P42 HydrophobicContact CG-CB 4.19Å; L34-P42 CarbonylContact O-C 3.19Å; L34-P42 WeakPolarHBondContact O-CA 3.46Å; T35-P42 HydrophobicContact CG2-CG 4.36Å; S40-P42 WeakPolarHBondContact O-CD 3.39Å
43T91.9Very high88.6Confident53 Ų5381.1 Ų81.133%0.32542%0.421SS..EExtended strand (participates in β ladder)trans-93.2134.3172.9-60.80000109.4Q33 L34 M66Q33-T43 WeakPolarHBondContact CA-O 3.31Å; L34-T43 PolarHBondContact N-O 3.05Å; L34-T43 PolarHBondContact O-N 2.79Å; T43-M66 HydrophobicContact CG2-CE 4.25Å
44R93.1Very high88.4Confident145 Ų14582.1 Ų82.155%0.54743%0.425SS..EExtended strand (participates in β ladder)trans-128.1145.6-178-62.9178.6-177126.40.6110.2M1 Y32 Q33M1-R44 WeakPolarHBondContact CE-O 3.46Å; Y32-R44 WeakPolarHBondContact O-CA 3.35Å; Q33-R44 HydrophobicContact CB-CG 4.32Å; Q33-R44 HydrophobicContact CG-CG 4.04Å
45G91.7Very high88.4Confident24 Ų2482 Ų8225%0.24743%0.425CS..EExtended strand (participates in β ladder)trans-162.7175.7174.900000111.6C31 Y32C31-G45 CarbonylContact C-O 3.46Å; C31-G45 WeakPolarHBondContact CA-O 3.18Å; Y32-G45 WeakPolarHBondContact CD1-O 3.35Å; Y32-G45 VanDerWaalsContact CE1-C 3.41Å; Y32-G45 PolarHBondContact N-O 3.09Å; Y32-G45 PolarHBondContact O-N 2.62Å; Y32-G45 VanDerWaalsContact O-N 3.14Å
46Y92.7Very high88.3Confident78 Ų7880.9 Ų80.931%0.30642%0.417SS..EExtended strand (participates in β ladder)trans-144151.6173.372.5-90.1000111.4A2 L4 L29 L30A2-Y46 HydrophobicContact CB-CE1 4.03Å; A2-Y46 WeakPolarHBondContact O-CE1 3.34Å; L4-Y46 HydrophobicContact CD2-CD1 4.14Å; L4-Y46 HydrophobicContact CD2-CD2 3.81Å; L4-Y46 HydrophobicContact CD2-CE1 4.03Å; L4-Y46 HydrophobicContact CD2-CE2 3.69Å; L4-Y46 HydrophobicContact CD2-CG 4.04Å; L4-Y46 HydrophobicContact CG-CD1 4.05Å; L4-Y46 HydrophobicContact CG-CD2 4.47Å; L4-Y46 HydrophobicContact CG-CE1 4.21Å; L4-Y46 HydrophobicContact CG-CG 4.19Å; L29-Y46 HydrophobicContact CD1-CD2 3.62Å; L29-Y46 HydrophobicContact CD1-CE2 4.4Å; L29-Y46 HydrophobicContact CD1-CG 4.35Å; L30-Y46 CarbonylContact O-C 3.42Å; L30-Y46 WeakPolarHBondContact O-CA 3.49Å; L30-Y46 WeakPolarHBondContact O-CB 3.24Å
47F92.3Very high88.3Confident37 Ų3782.5 Ų82.516%0.16243%0.425CS..EExtended strand (participates in β ladder)trans-128136.3176.5-66.6-70.6000110.3L29 L30 Y32 A55 C58 F59 E62L29-F47 WeakPolarHBondContact CA-O 3.49Å; L30-F47 HydrophobicContact CD2-CD2 4.45Å; L30-F47 PolarHBondContact N-O 2.66Å; L30-F47 PolarHBondContact O-N 2.76Å; Y32-F47 HydrophobicContact CD1-CD2 4.16Å; Y32-F47 AromaticContact CD1-CE2 3.95Å; Y32-F47 HydrophobicContact CD1-CE2 3.95Å; Y32-F47 HydrophobicContact CE1-CD2 4.01Å; Y32-F47 AromaticContact CE1-CE2 3.41Å; Y32-F47 HydrophobicContact CE1-CE2 3.41Å; Y32-F47 VanDerWaalsContact CE1-CE2 3.41Å; Y32-F47 HydrophobicContact CE1-CZ 4.22Å; F47-A55 HydrophobicContact CB-CB 4.12Å; F47-C58 HydrophobicContact CD1-CB 4.13Å; F47-C58 HydrophobicContact CG-CB 4.29Å; F47-F59 HydrophobicContact CD2-CB 3.91Å; F47-F59 HydrophobicContact CE2-CB 4.18Å; F47-E62 HydrophobicContact CE2-CB 3.88Å; F47-E62 HydrophobicContact CE2-CG 4.13Å; F47-E62 HydrophobicContact CZ-CB 3.51Å; F47-E62 HydrophobicContact CZ-CG 3.62Å
48E89.4Confident88.5Confident68 Ų6877.9 Ų77.932%0.31841%0.405SS..EExtended strand (participates in β ladder)trans-101.9149.2167-70.2-174.8-158.200109.6K27 L29 K50K27-E48 IonicContact NZ-OE2 3.64Å; L29-E48 HydrophobicContact CD1-CG 3.56Å; E48-K50 PolarHBondContact O-N 3.05Å
49N86.5Confident88.8Confident76 Ų7673.7 Ų73.741%0.40638%0.383SS..PPolyproline II helixtrans-60.9121.4172.1-1661.7000110.1A28 C53 H54A28-N49 HydrophobicContact CB-CB 4.02Å; A28-N49 PolarHBondContact O-N 3Å; N49-C53 PolarHBondContact OD1-O 3.25Å; N49-H54 WeakPolarHBondContact OD1-CA 3.39Å
50K80.9Confident89.2Confident145 Ų14570.7 Ų70.763%0.6335%0.35SS*.BIsolated β-bridgetrans-98.1158.4174.6-67.5179.3-178.3174.20108.6E48 K52 C53E48-K50 PolarHBondContact O-N 3.05Å; K50-K52 PolarHBondContact O-N 2.89Å; K50-C53 HydrophobicContact CB-CB 4.47Å; K50-C53 PolarHBondContact N-O 3.47Å; K50-C53 PolarHBondContact O-N 3.29Å
51K73.1Confident89.4Confident221 Ų22172.2 Ų72.296%0.96135%0.354SS*.THydrogen-bonded Turntrans-45.7-26.6-173.8-69.3-174.7178.3-179.90115.9
52K76.1Confident89.6Confident211 Ų21169.6 Ų69.692%0.91733%0.333SS*.THydrogen-bonded Turntrans-129.25.5178.8-61.5-172.5177.3-175.50114.6K50K50-K52 PolarHBondContact O-N 2.89Å
53C83.7Confident89.6Confident28 Ų2867.2 Ų67.219%0.18932%0.317CS..BIsolated β-bridgetrans-137115.3-177.5-1770000110.3N49 K50 C58N49-C53 PolarHBondContact OD1-O 3.25Å; K50-C53 HydrophobicContact CB-CB 4.47Å; K50-C53 PolarHBondContact N-O 3.47Å; K50-C53 PolarHBondContact O-N 3.29Å; C53-C58 WeakPolarHBondContact CB-SG 3.34Å; C53-C58 VanDerWaalsContact SG-CA 3.59Å; C53-C58 WeakPolarHBondContact SG-CB 3.27Å; C53-C58 PolarHBondContact SG-N 3.18Å; C53-C58 VanDerWaalsContact SG-N 3.35Å; C53-C58 CovalentContact SG-SG 2.07Å; C53-C58 PolarHBondContact SG-SG 2.78Å
54H90.5Very high89.6Confident73 Ų7370.3 Ų70.334%0.33833%0.326SS..  trans-63.1146.7169.2-67-172.8000109.9N49 E56 I57 C58 C85 C88N49-H54 WeakPolarHBondContact OD1-CA 3.39Å; H54-E56 WeakPolarHBondContact CB-OE2 3.44Å; H54-E56 PolarHBondContact O-N 2.86Å; H54-I57 HydrophobicContact CB-CG1 4.16Å; H54-I57 PolarHBondContact O-N 3.38Å; H54-I57 VanDerWaalsContact O-N 3.11Å; H54-C58 PolarHBondContact O-N 3.34Å; H54-C85 PolarHBondContact ND1-SG 3.12Å; H54-C88 VanDerWaalsContact CB-SG 3.59Å; H54-C88 PolarHBondContact ND1-SG 2.91Å
55A92.4Very high89.6Confident2 Ų267.6 Ų67.62%0.01733%0.329CS..Hα-helixtrans-60.8-32.4-174.400000111.8L30 F47 F59L30-A55 HydrophobicContact CB-CB 3.78Å; F47-A55 HydrophobicContact CB-CB 4.12Å; A55-F59 VanDerWaalsContact O-CB 3.29Å; A55-F59 WeakPolarHBondContact O-CB 3.47Å; A55-F59 PolarHBondContact O-N 3.35Å
56E93.3Very high89.6Confident14 Ų1469.2 Ų69.27%0.06533%0.331CS..Hα-helixtrans-64.9-43.3176.7-56.490.6145.700112.2L30 H54 F59 I60 L80 P84 C88 L92L30-E56 HydrophobicContact CD1-CG 4.17Å; H54-E56 WeakPolarHBondContact CB-OE2 3.44Å; H54-E56 PolarHBondContact O-N 2.86Å; E56-F59 WeakPolarHBondContact O-CB 3.43Å; E56-F59 PolarHBondContact O-N 3.02Å; E56-I60 WeakPolarHBondContact O-CG1 3.21Å; E56-I60 PolarHBondContact O-N 3.15Å; E56-L80 HydrophobicContact CG-CD2 4.09Å; E56-P84 HydrophobicContact CG-CB 4.09Å; E56-P84 WeakPolarHBondContact OE1-CA 3.34Å; E56-C88 HydrophobicContact CB-CB 3.96Å; E56-C88 HydrophobicContact CG-CB 4.06Å; E56-L92 HydrophobicContact CB-CD1 4.35Å; E56-L92 HydrophobicContact CG-CD1 4.34Å
57I93.8Very high89.3Confident46 Ų4668.7 Ų68.724%0.23635%0.349CS..Hα-helixtrans-70.8-42178.8-55.7-56.5000110.2H54 F59 I60 N61 E91H54-I57 HydrophobicContact CB-CG1 4.16Å; H54-I57 PolarHBondContact O-N 3.38Å; H54-I57 VanDerWaalsContact O-N 3.11Å; I57-F59 VanDerWaalsContact C-N 3.26Å; I57-F59 PolarHBondContact O-N 3.09Å; I57-I60 HydrophobicContact CD1-CD1 4.34Å; I57-I60 PolarHBondContact O-N 3.25Å; I57-N61 PolarHBondContact O-N 2.96Å; I57-N61 PolarHBondContact O-ND2 3.46Å; I57-E91 HydrophobicContact CD1-CB 3.75Å; I57-E91 HydrophobicContact CD1-CG 3.78Å
58C92.9Very high89.2Confident21 Ų2168.5 Ų68.514%0.14235%0.35CS..Hα-helixtrans-60.3-39.3173.7-81.40000110.8F47 C53 H54 E62F47-C58 HydrophobicContact CD1-CB 4.13Å; F47-C58 HydrophobicContact CG-CB 4.29Å; C53-C58 WeakPolarHBondContact CB-SG 3.34Å; C53-C58 VanDerWaalsContact SG-CA 3.59Å; C53-C58 WeakPolarHBondContact SG-CB 3.27Å; C53-C58 PolarHBondContact SG-N 3.18Å; C53-C58 VanDerWaalsContact SG-N 3.35Å; C53-C58 CovalentContact SG-SG 2.07Å; C53-C58 PolarHBondContact SG-SG 2.78Å; H54-C58 PolarHBondContact O-N 3.34Å; C58-E62 PolarHBondContact O-N 3.38Å
59F94.3Very high89.3Confident0 Ų068.4 Ų68.40%035%0.351CS..Hα-helixtrans-62.5-47.3172.3162.2-97.8000113L30 Y32 F47 A55 E56 I57 N61 E62 I63 V76 L92L30-F59 HydrophobicContact CD1-CB 4.01Å; L30-F59 HydrophobicContact CD1-CG 4.31Å; L30-F59 HydrophobicContact CD2-CB 4.06Å; L30-F59 HydrophobicContact CD2-CD2 4.09Å; L30-F59 HydrophobicContact CD2-CG 4.14Å; Y32-F59 AromaticContact CD1-CD2 3.92Å; Y32-F59 HydrophobicContact CD1-CD2 3.92Å; Y32-F59 HydrophobicContact CD1-CE2 4.37Å; Y32-F59 HydrophobicContact CD2-CD2 4.32Å; Y32-F59 AromaticContact CD2-CE2 3.97Å; Y32-F59 HydrophobicContact CD2-CE2 3.97Å; Y32-F59 AromaticContact CG-CD2 3.79Å; Y32-F59 HydrophobicContact CG-CD2 3.79Å; Y32-F59 AromaticContact CG-CE2 3.78Å; Y32-F59 HydrophobicContact CG-CE2 3.78Å; F47-F59 HydrophobicContact CD2-CB 3.91Å; F47-F59 HydrophobicContact CE2-CB 4.18Å; A55-F59 VanDerWaalsContact O-CB 3.29Å; A55-F59 WeakPolarHBondContact O-CB 3.47Å; A55-F59 PolarHBondContact O-N 3.35Å; E56-F59 WeakPolarHBondContact O-CB 3.43Å; E56-F59 PolarHBondContact O-N 3.02Å; I57-F59 VanDerWaalsContact C-N 3.26Å; I57-F59 PolarHBondContact O-N 3.09Å; F59-N61 VanDerWaalsContact C-N 3.32Å; F59-N61 PolarHBondContact O-N 3.28Å; F59-E62 WeakPolarHBondContact O-CB 3.42Å; F59-E62 PolarHBondContact O-N 3.41Å; F59-I63 HydrophobicContact CD2-CG1 4.11Å; F59-I63 HydrophobicContact CE1-CG1 4.31Å; F59-I63 HydrophobicContact CE2-CD1 3.77Å; F59-I63 HydrophobicContact CE2-CG1 3.46Å; F59-I63 VanDerWaalsContact CE2-CG1 3.46Å; F59-I63 HydrophobicContact CZ-CD1 4.17Å; F59-I63 HydrophobicContact CZ-CG1 3.54Å; F59-I63 PolarHBondContact O-N 2.96Å; F59-V76 HydrophobicContact CE2-CG1 4.04Å; F59-V76 HydrophobicContact CZ-CG1 3.62Å; F59-L92 HydrophobicContact CD1-CD2 4.36Å; F59-L92 HydrophobicContact CE1-CD2 4.39Å
60I94.1Very high89.4Confident5 Ų571.7 Ų71.73%0.02636%0.364CS..Hα-helixtrans-57.6-46.8177.6-71.4165.8000110.7E56 I57 E62 I63 K64 E91 L92 F95E56-I60 WeakPolarHBondContact O-CG1 3.21Å; E56-I60 PolarHBondContact O-N 3.15Å; I57-I60 HydrophobicContact CD1-CD1 4.34Å; I57-I60 PolarHBondContact O-N 3.25Å; I60-E62 VanDerWaalsContact C-N 3.32Å; I60-E62 PolarHBondContact O-N 3.31Å; I60-I63 PolarHBondContact O-N 3.21Å; I60-K64 HydrophobicContact CG2-CD 4.11Å; I60-K64 WeakPolarHBondContact O-CG 3.42Å; I60-K64 PolarHBondContact O-N 2.9Å; I60-E91 HydrophobicContact CD1-CB 4.11Å; I60-L92 HydrophobicContact CD1-CD2 3.9Å; I60-L92 HydrophobicContact CD1-CG 4.2Å; I60-L92 HydrophobicContact CG1-CD2 3.97Å; I60-F95 HydrophobicContact CD1-CB 4.2Å; I60-F95 HydrophobicContact CG1-CB 4.24Å; I60-F95 HydrophobicContact CG1-CD1 4.22Å; I60-F95 HydrophobicContact CG1-CG 4.07Å; I60-F95 HydrophobicContact CG2-CB 4.32Å; I60-F95 HydrophobicContact CG2-CD2 3.7Å; I60-F95 HydrophobicContact CG2-CE2 4.23Å; I60-F95 HydrophobicContact CG2-CG 4.01Å
61N93.3Very high89.9Confident89 Ų8970.7 Ų70.748%0.47637%0.371SS..Hα-helixtrans-64.7-38.1-179.8-69.9-21.9000112.1I57 F59 K64 S65I57-N61 PolarHBondContact O-N 2.96Å; I57-N61 PolarHBondContact O-ND2 3.46Å; F59-N61 VanDerWaalsContact C-N 3.32Å; F59-N61 PolarHBondContact O-N 3.28Å; N61-K64 PolarHBondContact O-N 3Å; N61-S65 WeakPolarHBondContact O-CB 3.43Å; N61-S65 PolarHBondContact O-N 3.24Å; N61-S65 PolarHBondContact O-OG 2.86Å
62E92.8Very high90.8Very high71 Ų7162.8 Ų62.833%0.33234%0.337SS..Hα-helixtrans-60.1-52.1174.7-173.976.1-171.600110.8F47 C58 F59 I60 K64 S65 M66F47-E62 HydrophobicContact CE2-CB 3.88Å; F47-E62 HydrophobicContact CE2-CG 4.13Å; F47-E62 HydrophobicContact CZ-CB 3.51Å; F47-E62 HydrophobicContact CZ-CG 3.62Å; C58-E62 PolarHBondContact O-N 3.38Å; F59-E62 WeakPolarHBondContact O-CB 3.42Å; F59-E62 PolarHBondContact O-N 3.41Å; I60-E62 VanDerWaalsContact C-N 3.32Å; I60-E62 PolarHBondContact O-N 3.31Å; E62-K64 VanDerWaalsContact C-N 3.3Å; E62-K64 PolarHBondContact O-N 2.99Å; E62-S65 WeakPolarHBondContact O-CA 3.39Å; E62-S65 PolarHBondContact O-N 2.88Å; E62-S65 PolarHBondContact O-OG 2.95Å; E62-M66 HydrophobicContact CG-CE 3.5Å; E62-M66 VanDerWaalsContact CG-CE 3.5Å; E62-M66 WeakPolarHBondContact O-CG 3.49Å; E62-M66 PolarHBondContact O-N 3.41Å
63I93.3Very high91.6Very high5 Ų556.2 Ų56.23%0.02632%0.317CS..Hα-helixtrans-60-42.3-179.2-63.1-61.5000111.4Y32 F59 I60 S65 M66 L68 F95 L102Y32-I63 HydrophobicContact CE2-CD1 4.34Å; F59-I63 HydrophobicContact CD2-CG1 4.11Å; F59-I63 HydrophobicContact CE1-CG1 4.31Å; F59-I63 HydrophobicContact CE2-CD1 3.77Å; F59-I63 HydrophobicContact CE2-CG1 3.46Å; F59-I63 VanDerWaalsContact CE2-CG1 3.46Å; F59-I63 HydrophobicContact CZ-CD1 4.17Å; F59-I63 HydrophobicContact CZ-CG1 3.54Å; F59-I63 PolarHBondContact O-N 2.96Å; I60-I63 PolarHBondContact O-N 3.21Å; I63-S65 VanDerWaalsContact C-N 3.28Å; I63-S65 PolarHBondContact O-N 3Å; I63-M66 HydrophobicContact CD1-SD 4.05Å; I63-M66 PolarHBondContact O-N 2.77Å; I63-L68 HydrophobicContact CG2-CD1 3.76Å; I63-F95 HydrophobicContact CB-CZ 4Å; I63-F95 HydrophobicContact CG2-CE2 4.44Å; I63-F95 HydrophobicContact CG2-CZ 3.65Å; I63-L102 HydrophobicContact CG2-CD1 3.99Å
64K92Very high92.1Very high118 Ų11855.5 Ų55.551%0.51331%0.31SS..Hα-helixtrans-59.8-38.5174.3-71.9178.1179-179.60112.3I60 N61 E62 M66 F95I60-K64 HydrophobicContact CG2-CD 4.11Å; I60-K64 WeakPolarHBondContact O-CG 3.42Å; I60-K64 PolarHBondContact O-N 2.9Å; N61-K64 PolarHBondContact O-N 3Å; E62-K64 VanDerWaalsContact C-N 3.3Å; E62-K64 PolarHBondContact O-N 2.99Å; K64-M66 VanDerWaalsContact C-N 3.31Å; K64-M66 PolarHBondContact O-N 3.25Å; K64-F95 HydrophobicContact CG-CE2 3.99Å
65S93.1Very high92.3Very high87 Ų8755.1 Ų55.161%0.60831%0.309SS*.Hα-helixtrans-73.6-20.4179.975.10000114.1N61 E62 I63 G67N61-S65 WeakPolarHBondContact O-CB 3.43Å; N61-S65 PolarHBondContact O-N 3.24Å; N61-S65 PolarHBondContact O-OG 2.86Å; E62-S65 WeakPolarHBondContact O-CA 3.39Å; E62-S65 PolarHBondContact O-N 2.88Å; E62-S65 PolarHBondContact O-OG 2.95Å; I63-S65 VanDerWaalsContact C-N 3.28Å; I63-S65 PolarHBondContact O-N 3Å; S65-G67 PolarHBondContact O-N 3.1Å
66M90.4Very high92.5Very high59 Ų5955.1 Ų55.129%0.29131%0.308SS..THydrogen-bonded Turntrans-70.2-17.8179.6-71.5-179-177.900113.2Y32 L34 T43 E62 I63 K64 L68Y32-M66 HydrophobicContact CE2-CE 4.17Å; Y32-M66 VanDerWaalsContact OH-CE 3.27Å; Y32-M66 WeakPolarHBondContact OH-CE 3.22Å; L34-M66 HydrophobicContact CD2-SD 4.24Å; T43-M66 HydrophobicContact CG2-CE 4.25Å; E62-M66 HydrophobicContact CG-CE 3.5Å; E62-M66 VanDerWaalsContact CG-CE 3.5Å; E62-M66 WeakPolarHBondContact O-CG 3.49Å; E62-M66 PolarHBondContact O-N 3.41Å; I63-M66 HydrophobicContact CD1-SD 4.05Å; I63-M66 PolarHBondContact O-N 2.77Å; K64-M66 VanDerWaalsContact C-N 3.31Å; K64-M66 PolarHBondContact O-N 3.25Å; M66-L68 HydrophobicContact CB-CD2 3.94Å; M66-L68 HydrophobicContact CB-CG 4.23Å
67G88Confident92.5Very high66 Ų6655.4 Ų55.468%0.6831%0.311SS*.THydrogen-bonded Turntrans58.350.2-179.300000112S65S65-G67 PolarHBondContact O-N 3.1Å
68L90.2Very high92.6Very high34 Ų3453.3 Ų53.318%0.17830%0.301CS..  trans-59.7147.6-179.1-60.2-177.9000111.1L34 I63 M66 E70 Y74 L102L34-L68 HydrophobicContact CD1-CD1 4.07Å; L34-L68 HydrophobicContact CD2-CD1 3.99Å; L34-L68 HydrophobicContact CD2-CD2 3.68Å; I63-L68 HydrophobicContact CG2-CD1 3.76Å; M66-L68 HydrophobicContact CB-CD2 3.94Å; M66-L68 HydrophobicContact CB-CG 4.23Å; L68-E70 PolarHBondContact O-N 2.9Å; L68-Y74 HydrophobicContact CB-CE2 3.96Å; L68-Y74 HydrophobicContact CD1-CD2 4.39Å; L68-Y74 HydrophobicContact CD1-CE2 4.47Å; L68-Y74 HydrophobicContact CD1-CG 4.48Å; L68-Y74 HydrophobicContact CD2-CE1 4.29Å; L68-L102 HydrophobicContact CD1-CD2 3.93Å
69D90.5Very high92.6Very high65 Ų6555.4 Ų55.435%0.34831%0.306SS..  trans-75.7106.1178176.14.8000109.5T71 Q72 Y74D69-T71 PolarHBondContact O-N 2.78Å; D69-T71 WeakPolarHBondContact OD1-CB 3.42Å; D69-T71 WeakPolarHBondContact OD1-CG2 3.4Å; D69-T71 PolarHBondContact OD1-N 2.82Å; D69-T71 PolarHBondContact OD1-OG1 2.83Å; D69-T71 PolarHBondContact OD2-OG1 2.84Å; D69-T71 VanDerWaalsContact OD2-OG1 3.09Å; D69-Q72 HydrophobicContact CB-CG 4.29Å; D69-Q72 PolarHBondContact O-N 2.8Å; D69-Q72 PolarHBondContact OD2-NE2 3.14Å; D69-Y74 PolarHBondContact N-OH 2.8Å; D69-Y74 VanDerWaalsContact N-OH 3.14Å; D69-Y74 WeakPolarHBondContact O-CE2 3.39Å
70E89.4Confident92.6Very high145 Ų14555.7 Ų55.768%0.67831%0.308SS*.THydrogen-bonded Turntrans-62.3-15.1-176.7-58.6-17617800113.7L68 Q72L68-E70 PolarHBondContact O-N 2.9Å; E70-Q72 VanDerWaalsContact C-N 3.25Å
71T90.5Very high92.6Very high124 Ų12455.5 Ų55.576%0.76131%0.306SS*.THydrogen-bonded Turntrans-76.2-16.3174.471.50000112.7D69D69-T71 PolarHBondContact O-N 2.78Å; D69-T71 WeakPolarHBondContact OD1-CB 3.42Å; D69-T71 WeakPolarHBondContact OD1-CG2 3.4Å; D69-T71 PolarHBondContact OD1-N 2.82Å; D69-T71 PolarHBondContact OD1-OG1 2.83Å; D69-T71 PolarHBondContact OD2-OG1 2.84Å; D69-T71 VanDerWaalsContact OD2-OG1 3.09Å
72Q91.5Very high92.5Very high56 Ų5654 Ų5426%0.26229%0.294SS..SBendtrans-101.2143-179.8-63.5177.933.100111.3N38 D69 E70 Y74 H101N38-Q72 PolarHBondContact ND2-OE1 3.22Å; D69-Q72 HydrophobicContact CB-CG 4.29Å; D69-Q72 PolarHBondContact O-N 2.8Å; D69-Q72 PolarHBondContact OD2-NE2 3.14Å; E70-Q72 VanDerWaalsContact C-N 3.25Å; Q72-Y74 HydrophobicContact CB-CE2 3.79Å; Q72-Y74 VanDerWaalsContact O-CD2 3.31Å; Q72-Y74 WeakPolarHBondContact O-CD2 3.36Å; Q72-Y74 VanDerWaalsContact O-CE2 3.3Å; Q72-Y74 WeakPolarHBondContact O-CE2 3.38Å; Q72-H101 WeakPolarHBondContact O-CB 3.26Å
73C94Very high92.5Very high72 Ų7250.8 Ų50.849%0.48628%0.279SS..  trans-84.6136.8169.6-65.50000110.7Q37 H101Q37-C73 HydrophobicContact CB-CB 4.29Å; Q37-C73 WeakPolarHBondContact CB-O 3.42Å; Q37-C73 HydrophobicContact CG-CB 3.93Å; Q37-C73 VanDerWaalsContact CG-O 3.29Å; Q37-C73 WeakPolarHBondContact CG-O 3.37Å; Q37-C73 PolarHBondContact N-O 2.85Å; C73-H101 WeakPolarHBondContact CA-O 3.44Å
74Y94.8Very high92.5Very high14 Ų1450.5 Ų50.56%0.05528%0.278CS..EExtended strand (participates in β ladder)trans-122.9136.9175.6-56.4-98.4000111.2L34 P36 L68 D69 Q72 H101 L102 N103L34-Y74 HydrophobicContact CD1-CD1 4.04Å; L34-Y74 HydrophobicContact CD1-CG 4.09Å; L34-Y74 HydrophobicContact CD2-CD1 4.36Å; L34-Y74 HydrophobicContact CG-CD1 4.15Å; P36-Y74 HydrophobicContact CB-CD1 3.94Å; P36-Y74 HydrophobicContact CB-CE1 3.93Å; P36-Y74 HydrophobicContact CG-CD1 3.9Å; P36-Y74 HydrophobicContact CG-CE1 3.87Å; L68-Y74 HydrophobicContact CB-CE2 3.96Å; L68-Y74 HydrophobicContact CD1-CD2 4.39Å; L68-Y74 HydrophobicContact CD1-CE2 4.47Å; L68-Y74 HydrophobicContact CD1-CG 4.48Å; L68-Y74 HydrophobicContact CD2-CE1 4.29Å; D69-Y74 PolarHBondContact N-OH 2.8Å; D69-Y74 VanDerWaalsContact N-OH 3.14Å; D69-Y74 WeakPolarHBondContact O-CE2 3.39Å; Q72-Y74 HydrophobicContact CB-CE2 3.79Å; Q72-Y74 VanDerWaalsContact O-CD2 3.31Å; Q72-Y74 WeakPolarHBondContact O-CD2 3.36Å; Q72-Y74 VanDerWaalsContact O-CE2 3.3Å; Q72-Y74 WeakPolarHBondContact O-CE2 3.38Å; Y74-H101 AromaticContact CD2-CD2 3.96Å; Y74-H101 PolarHBondContact N-O 2.69Å; Y74-L102 HydrophobicContact CD2-CD2 3.8Å; Y74-L102 HydrophobicContact CG-CD2 4.07Å; Y74-N103 PolarHBondContact O-N 3.4Å
75Q94.8Very high92.5Very high65 Ų6545.8 Ų45.830%0.30426%0.26SS..EExtended strand (participates in β ladder)trans-92.5115.8167.8-170.569.413.400109.4T35T35-Q75 PolarHBondContact N-O 2.99Å; T35-Q75 PolarHBondContact O-N 3.33Å
76V95.3Very high92.4Very high1 Ų143.6 Ų43.61%0.00624%0.244CC..EExtended strand (participates in β ladder)trans-101.4123.3172.4-175.70000108.9Q33 L34 F59 N103 L104 G105Q33-V76 CarbonylContact O-C 3.54Å; Q33-V76 WeakPolarHBondContact O-CA 3.43Å; L34-V76 HydrophobicContact CD1-CG2 3.55Å; F59-V76 HydrophobicContact CE2-CG1 4.04Å; F59-V76 HydrophobicContact CZ-CG1 3.62Å; V76-N103 PolarHBondContact N-O 2.88Å; V76-L104 HydrophobicContact CB-CD1 3.86Å; V76-L104 HydrophobicContact CG1-CD1 3.52Å; V76-L104 CarbonylContact O-C 3.53Å; V76-L104 WeakPolarHBondContact O-CA 3.4Å; V76-G105 PolarHBondContact O-N 3.35Å
77T94.4Very high92.5Very high20 Ų2044 Ų4412%0.12325%0.253CS..EExtended strand (participates in β ladder)trans-116.4121.3171.5-55.80000110.1Y32 Q33 Y79 F107Y32-T77 CarbonylContact C-O 3.2Å; Y32-T77 VanDerWaalsContact CA-O 3.3Å; Y32-T77 WeakPolarHBondContact CA-O 3.38Å; Q33-T77 PolarHBondContact N-O 2.81Å; Q33-T77 PolarHBondContact O-N 3.34Å; T77-Y79 HydrophobicContact CG2-CD2 4.48Å; T77-Y79 HydrophobicContact CG2-CE1 4.11Å; T77-Y79 HydrophobicContact CG2-CE2 3.77Å; T77-F107 HydrophobicContact CG2-CD2 3.69Å; T77-F107 HydrophobicContact CG2-CE2 3.63Å
78C95.1Very high92.7Very high3 Ų340.9 Ų40.92%0.0222%0.221CC..EExtended strand (participates in β ladder)trans-109.9127.2179.8-72.30000110.8C31 L80 L104 G105 F107C31-C78 CarbonylContact O-C 3.6Å; C31-C78 WeakPolarHBondContact O-CA 3.3Å; C78-L80 HydrophobicContact CB-CD1 3.83Å; C78-L104 HydrophobicContact CB-CD1 4.4Å; C78-G105 PolarHBondContact N-O 3.12Å; C78-F107 PolarHBondContact O-N 3.47Å
79Y93.9Very high92.9Very high65 Ų6539.3 Ų39.326%0.25521%0.212SC..EExtended strand (participates in β ladder)trans-109109.5173.2-55.8-80.2000109.4L30 C31 T77 F107 M136L30-Y79 WeakPolarHBondContact CA-O 3.41Å; C31-Y79 PolarHBondContact N-O 3.24Å; C31-Y79 PolarHBondContact O-N 3.11Å; T77-Y79 HydrophobicContact CG2-CD2 4.48Å; T77-Y79 HydrophobicContact CG2-CE1 4.11Å; T77-Y79 HydrophobicContact CG2-CE2 3.77Å; Y79-F107 CarbonylContact C-O 3.58Å; Y79-F107 WeakPolarHBondContact CA-O 3.29Å; Y79-F107 HydrophobicContact CD1-CB 3.82Å; Y79-F107 HydrophobicContact CD1-CD2 4.35Å; Y79-F107 HydrophobicContact CD1-CG 4.28Å; Y79-F107 HydrophobicContact CE1-CB 4.27Å; Y79-F107 HydrophobicContact CE1-CD2 4.1Å; Y79-F107 HydrophobicContact CE1-CG 4.24Å; Y79-M136 HydrophobicContact CD1-CE 3.83Å; Y79-M136 HydrophobicContact CD1-SD 4.34Å; Y79-M136 HydrophobicContact CG-CE 4.44Å
80L93.8Very high93.1Very high6 Ų643 Ų433%0.03122%0.222CC..EExtended strand (participates in β ladder)trans-107.2142.3-179.4-63.181.6000111.1L29 L30 E56 C78 W82 I106 F107 A108 S109L29-L80 WeakPolarHBondContact O-CA 3.41Å; L30-L80 HydrophobicContact CB-CG 4.29Å; L30-L80 HydrophobicContact CD1-CD2 4.19Å; L30-L80 HydrophobicContact CD1-CG 4.17Å; L30-L80 HydrophobicContact CG-CD1 4.43Å; L30-L80 HydrophobicContact CG-CG 4.06Å; E56-L80 HydrophobicContact CG-CD2 4.09Å; C78-L80 HydrophobicContact CB-CD1 3.83Å; L80-W82 VanDerWaalsContact C-N 3.29Å; L80-W82 WeakPolarHBondContact CB-O 3.46Å; L80-W82 WeakPolarHBondContact CD2-O 3.45Å; L80-I106 HydrophobicContact CD1-CG2 3.7Å; L80-F107 PolarHBondContact N-O 3.22Å; L80-A108 CarbonylContact O-C 3.54Å; L80-A108 WeakPolarHBondContact O-CA 3.44Å; L80-S109 PolarHBondContact O-N 2.85Å
81T92.9Very high93.3Very high0 Ų041 Ų410%021%0.212CC..SBendtrans-73.2-25.817262.30000112.7Q12 F13 K27 A28 L29 R110Q12-T81 HydrophobicContact CB-CG2 4Å; Q12-T81 WeakPolarHBondContact O-CB 3.46Å; Q12-T81 WeakPolarHBondContact O-CG2 3.1Å; F13-T81 HydrophobicContact CD1-CG2 3.94Å; F13-T81 HydrophobicContact CD2-CG2 3.85Å; F13-T81 HydrophobicContact CE1-CG2 3.87Å; F13-T81 HydrophobicContact CE2-CG2 3.8Å; F13-T81 HydrophobicContact CG-CG2 3.93Å; F13-T81 HydrophobicContact CZ-CG2 3.8Å; K27-T81 PolarHBondContact O-OG1 3.37Å; A28-T81 WeakPolarHBondContact CA-OG1 3.27Å; L29-T81 HydrophobicContact CB-CG2 3.72Å; L29-T81 HydrophobicContact CD2-CG2 4.19Å; L29-T81 HydrophobicContact CG-CG2 4.36Å; L29-T81 PolarHBondContact N-OG1 3.41Å; L29-T81 PolarHBondContact O-N 2.98Å; L29-T81 PolarHBondContact O-OG1 2.94Å; T81-R110 PolarHBondContact O-N 3.11Å; T81-R110 PolarHBondContact O-NE 3.31Å; T81-R110 PolarHBondContact O-NH2 3.42Å; T81-R110 VanDerWaalsContact O-NH2 3.09Å
82W92.6Very high93.6Very high58 Ų5835.4 Ų35.422%0.2218%0.177CC..SBendtrans-135.6139.5174.9-72.4106.9000109.2R26 L80 R110 Y112R26-W82 HydrophobicContact CB-CZ2 4.45Å; R26-W82 PolarHBondContact O-NE1 3.03Å; L80-W82 VanDerWaalsContact C-N 3.29Å; L80-W82 WeakPolarHBondContact CB-O 3.46Å; L80-W82 WeakPolarHBondContact CD2-O 3.45Å; W82-R110 CarbonylContact C-O 3.57Å; W82-R110 WeakPolarHBondContact CA-O 3.41Å; W82-R110 HydrophobicContact CD2-CB 4.1Å; W82-R110 VanDerWaalsContact CE2-NE 3.28Å; W82-R110 HydrophobicContact CE3-CB 3.5Å; W82-R110 VanDerWaalsContact CE3-CB 3.5Å; W82-R110 HydrophobicContact CH2-CB 4.22Å; W82-R110 VanDerWaalsContact CZ2-NE 3.33Å; W82-R110 HydrophobicContact CZ3-CB 3.57Å; W82-R110 HydrophobicContact CZ3-CG 4.44Å; W82-Y112 HydrophobicContact CD2-CD2 4.49Å; W82-Y112 HydrophobicContact CE3-CD2 4.29Å
83S92.7Very high93.7Very high3 Ų332.8 Ų32.82%0.02117%0.165CC..PPolyproline II helixtrans-57.6148.2175.268.90000111.3R110 Y112 Q119S83-R110 PolarHBondContact N-O 3.11Å; S83-Y112 WeakPolarHBondContact O-CB 3.23Å; S83-Y112 PolarHBondContact OG-N 2.78Å; S83-Q119 PolarHBondContact OG-NE2 2.87Å
84P92.4Very high93.8Very high0 Ų033.5 Ų33.50%017%0.165CC..PPolyproline II helixtrans-62.6144-175.427.3-35.9000112.1E56 C88 L92 Q119 L123 L126E56-P84 HydrophobicContact CG-CB 4.09Å; E56-P84 WeakPolarHBondContact OE1-CA 3.34Å; P84-C88 HydrophobicContact CB-CB 4.26Å; P84-L92 HydrophobicContact CB-CD1 4.25Å; P84-Q119 PolarHBondContact O-NE2 3.26Å; P84-L123 HydrophobicContact CG-CD2 4.1Å; P84-L126 HydrophobicContact CG-CD1 3.61Å
85C91.9Very high93.8Very high19 Ų1933.1 Ų33.113%0.12816%0.163CC..PPolyproline II helixtrans-68.4162.4176.272.60000111.6H54 S87 C88 A89 Y112H54-C85 PolarHBondContact ND1-SG 3.12Å; C85-S87 VanDerWaalsContact C-N 3.31Å; C85-S87 PolarHBondContact O-N 2.9Å; C85-S87 PolarHBondContact SG-OG 3.04Å; C85-C88 PolarHBondContact O-N 3.29Å; C85-C88 VanDerWaalsContact O-N 3.12Å; C85-C88 PolarHBondContact SG-N 2.93Å; C85-C88 PolarHBondContact SG-SG 3.22Å; C85-A89 PolarHBondContact O-N 3.14Å; C85-Y112 HydrophobicContact CB-CD1 4.46Å; C85-Y112 HydrophobicContact CB-CE1 4.39Å
86S90.8Very high93.8Very high40 Ų4030.9 Ų30.928%0.2815%0.153SC..Hα-helixtrans-52.9-42.2-178.760.30000114.3A89 W90 P118S86-A89 WeakPolarHBondContact O-CB 3.49Å; S86-A89 PolarHBondContact O-N 3.05Å; S86-W90 PolarHBondContact O-N 3.46Å; S86-P118 WeakPolarHBondContact CB-O 3.5Å
87S92.5Very high93.6Very high67 Ų6736.9 Ų36.947%0.46918%0.179SC..Hα-helixtrans-67.9-43.1177.353.90000112.4C85 A89 W90 E91C85-S87 VanDerWaalsContact C-N 3.31Å; C85-S87 PolarHBondContact O-N 2.9Å; C85-S87 PolarHBondContact SG-OG 3.04Å; S87-A89 PolarHBondContact O-N 3.48Å; S87-W90 PolarHBondContact O-N 2.79Å; S87-E91 WeakPolarHBondContact O-CG 3.25Å; S87-E91 PolarHBondContact O-N 2.77Å; S87-E91 VanDerWaalsContact O-N 3.14Å
88C93.2Very high93.6Very high2 Ų239.4 Ų39.41%0.01420%0.202CC..Hα-helixtrans-63.9-31.1175-71.90000112.7H54 E56 P84 C85 E91 L92H54-C88 VanDerWaalsContact CB-SG 3.59Å; H54-C88 PolarHBondContact ND1-SG 2.91Å; E56-C88 HydrophobicContact CB-CB 3.96Å; E56-C88 HydrophobicContact CG-CB 4.06Å; P84-C88 HydrophobicContact CB-CB 4.26Å; C85-C88 PolarHBondContact O-N 3.29Å; C85-C88 VanDerWaalsContact O-N 3.12Å; C85-C88 PolarHBondContact SG-N 2.93Å; C85-C88 PolarHBondContact SG-SG 3.22Å; C88-E91 PolarHBondContact O-N 2.77Å; C88-L92 WeakPolarHBondContact O-CB 3.44Å; C88-L92 VanDerWaalsContact O-CG 3.25Å; C88-L92 WeakPolarHBondContact O-CG 3.44Å; C88-L92 PolarHBondContact O-N 3.04Å
89A93.9Very high93.5Very high0 Ų041.1 Ų41.10%021%0.209CC..Hα-helixtrans-63.3-42.7174.900000111.7C85 S86 S87 L92 V93 G122 L126C85-A89 PolarHBondContact O-N 3.14Å; S86-A89 WeakPolarHBondContact O-CB 3.49Å; S86-A89 PolarHBondContact O-N 3.05Å; S87-A89 PolarHBondContact O-N 3.48Å; A89-L92 PolarHBondContact O-N 3.48Å; A89-V93 WeakPolarHBondContact O-CG2 3.37Å; A89-V93 PolarHBondContact O-N 2.91Å; A89-G122 WeakPolarHBondContact CB-O 3.43Å; A89-L126 HydrophobicContact CB-CD1 3.75Å; A89-L126 HydrophobicContact CB-CD2 4.44Å; A89-L126 HydrophobicContact CB-CG 3.89Å
90W93.9Very high93.3Very high144 Ų14444.6 Ų44.655%0.54523%0.233SC..Hα-helixtrans-62.3-49.6174.1-75.8100.4000111.8S86 S87 L92 V93 D94 L125S86-W90 PolarHBondContact O-N 3.46Å; S87-W90 PolarHBondContact O-N 2.79Å; W90-L92 VanDerWaalsContact C-N 3.28Å; W90-L92 PolarHBondContact O-N 3.34Å; W90-V93 WeakPolarHBondContact O-CB 3.35Å; W90-V93 PolarHBondContact O-N 3.48Å; W90-D94 PolarHBondContact O-N 3.37Å; W90-L125 HydrophobicContact CD2-CD2 3.31Å; W90-L125 VanDerWaalsContact CE2-CD2 3.46Å; W90-L125 HydrophobicContact CE3-CD2 3.41Å; W90-L125 VanDerWaalsContact CE3-CD2 3.41Å; W90-L125 HydrophobicContact CG-CD2 3.95Å; W90-L125 HydrophobicContact CH2-CD1 4.39Å; W90-L125 HydrophobicContact CH2-CD2 3.77Å; W90-L125 HydrophobicContact CZ2-CD2 3.7Å; W90-L125 HydrophobicContact CZ3-CD1 4.43Å; W90-L125 HydrophobicContact CZ3-CD2 3.64Å
91E95.4Very high93.2Very high102 Ų10245.6 Ų45.648%0.47724%0.237SC..Hα-helixtrans-58.9-38.3178.5-67.3-72.8155.200112.5I57 I60 S87 C88 F95I57-E91 HydrophobicContact CD1-CB 3.75Å; I57-E91 HydrophobicContact CD1-CG 3.78Å; I60-E91 HydrophobicContact CD1-CB 4.11Å; S87-E91 WeakPolarHBondContact O-CG 3.25Å; S87-E91 PolarHBondContact O-N 2.77Å; S87-E91 VanDerWaalsContact O-N 3.14Å; C88-E91 PolarHBondContact O-N 2.77Å; E91-F95 VanDerWaalsContact O-CB 3.22Å; E91-F95 WeakPolarHBondContact O-CB 3.06Å; E91-F95 PolarHBondContact O-N 3.47Å
92L95.3Very high93.3Very high6 Ų645.7 Ų45.73%0.03124%0.238CC..Hα-helixtrans-67.5-38.2175-77.8167.8000112.3E56 F59 I60 P84 C88 A89 W90 F95 I96 L104 I106 L126E56-L92 HydrophobicContact CB-CD1 4.35Å; E56-L92 HydrophobicContact CG-CD1 4.34Å; F59-L92 HydrophobicContact CD1-CD2 4.36Å; F59-L92 HydrophobicContact CE1-CD2 4.39Å; I60-L92 HydrophobicContact CD1-CD2 3.9Å; I60-L92 HydrophobicContact CD1-CG 4.2Å; I60-L92 HydrophobicContact CG1-CD2 3.97Å; P84-L92 HydrophobicContact CB-CD1 4.25Å; C88-L92 WeakPolarHBondContact O-CB 3.44Å; C88-L92 VanDerWaalsContact O-CG 3.25Å; C88-L92 WeakPolarHBondContact O-CG 3.44Å; C88-L92 PolarHBondContact O-N 3.04Å; A89-L92 PolarHBondContact O-N 3.48Å; W90-L92 VanDerWaalsContact C-N 3.28Å; W90-L92 PolarHBondContact O-N 3.34Å; L92-F95 PolarHBondContact O-N 3.22Å; L92-I96 WeakPolarHBondContact O-CG1 3.22Å; L92-I96 PolarHBondContact O-N 3.34Å; L92-L104 HydrophobicContact CD2-CD2 4.04Å; L92-I106 HydrophobicContact CD1-CD1 3.98Å; L92-L126 HydrophobicContact CB-CD2 3.84Å; L92-L126 HydrophobicContact CD1-CD2 4.42Å
93V95.1Very high93.4Very high1 Ų147 Ų471%0.00625%0.249CC..Hα-helixtrans-65.4-46.9175.1166.50000111.1A89 W90 F95 I96 K97 L125 L126 S129A89-V93 WeakPolarHBondContact O-CG2 3.37Å; A89-V93 PolarHBondContact O-N 2.91Å; W90-V93 WeakPolarHBondContact O-CB 3.35Å; W90-V93 PolarHBondContact O-N 3.48Å; V93-F95 VanDerWaalsContact C-N 3.26Å; V93-F95 PolarHBondContact O-N 2.74Å; V93-I96 PolarHBondContact O-N 2.85Å; V93-K97 HydrophobicContact CG1-CD 3.88Å; V93-K97 VanDerWaalsContact CG1-CE 3.5Å; V93-K97 HydrophobicContact CG1-CG 4.39Å; V93-K97 WeakPolarHBondContact O-CB 3.46Å; V93-K97 WeakPolarHBondContact O-CG 3.46Å; V93-K97 PolarHBondContact O-N 2.88Å; V93-L125 HydrophobicContact CG2-CD2 4.27Å; V93-L125 HydrophobicContact CG2-CG 3.99Å; V93-L126 HydrophobicContact CG2-CD2 3.85Å; V93-L126 HydrophobicContact CG2-CG 4.43Å; V93-S129 WeakPolarHBondContact CG1-OG 3.24Å
94D95.3Very high93.5Very high88 Ų8847.1 Ų47.147%0.47125%0.249SC..Hα-helixtrans-64-37178.8-68-18.4000111W90 A98W90-D94 PolarHBondContact O-N 3.37Å; D94-A98 WeakPolarHBondContact O-CB 3.32Å; D94-A98 PolarHBondContact O-N 3.07Å; D94-A98 VanDerWaalsContact O-N 3.15Å
95F94.5Very high93.6Very high6 Ų647.3 Ų47.33%0.02625%0.251CS..Hα-helixtrans-60.9-50.3173.2173.7-109.8000112.4I60 I63 K64 E91 L92 V93 A98 H99 L102I60-F95 HydrophobicContact CD1-CB 4.2Å; I60-F95 HydrophobicContact CG1-CB 4.24Å; I60-F95 HydrophobicContact CG1-CD1 4.22Å; I60-F95 HydrophobicContact CG1-CG 4.07Å; I60-F95 HydrophobicContact CG2-CB 4.32Å; I60-F95 HydrophobicContact CG2-CD2 3.7Å; I60-F95 HydrophobicContact CG2-CE2 4.23Å; I60-F95 HydrophobicContact CG2-CG 4.01Å; I63-F95 HydrophobicContact CB-CZ 4Å; I63-F95 HydrophobicContact CG2-CE2 4.44Å; I63-F95 HydrophobicContact CG2-CZ 3.65Å; K64-F95 HydrophobicContact CG-CE2 3.99Å; E91-F95 VanDerWaalsContact O-CB 3.22Å; E91-F95 WeakPolarHBondContact O-CB 3.06Å; E91-F95 PolarHBondContact O-N 3.47Å; L92-F95 PolarHBondContact O-N 3.22Å; V93-F95 VanDerWaalsContact C-N 3.26Å; V93-F95 PolarHBondContact O-N 2.74Å; F95-A98 PolarHBondContact O-N 3.14Å; F95-H99 AromaticContact CD2-CE1 3.55Å; F95-H99 AromaticContact CD2-ND1 3.51Å; F95-H99 AromaticContact CE2-CE1 3.42Å; F95-H99 VanDerWaalsContact CE2-CE1 3.42Å; F95-H99 WeakPolarHBondContact CE2-CE1 3.35Å; F95-H99 AromaticContact CE2-CG 3.99Å; F95-H99 AromaticContact CE2-ND1 3.47Å; F95-H99 WeakPolarHBondContact CE2-ND1 3.43Å; F95-H99 AromaticContact CE2-NE2 3.84Å; F95-H99 PolarHBondContact O-N 3.26Å; F95-H99 PolarHBondContact O-ND1 2.88Å; F95-L102 HydrophobicContact CE1-CD1 3.83Å; F95-L102 HydrophobicContact CE2-CD1 4.49Å; F95-L102 HydrophobicContact CZ-CD1 3.52Å
96I94Very high93.7Very high17 Ų1746.6 Ų46.69%0.08725%0.246CC..Hα-helixtrans-68.4-39-177.8-67.9-63000112L92 V93 A98 H99 L102 L104 V131L92-I96 WeakPolarHBondContact O-CG1 3.22Å; L92-I96 PolarHBondContact O-N 3.34Å; V93-I96 PolarHBondContact O-N 2.85Å; I96-A98 PolarHBondContact O-N 3.02Å; I96-H99 CarbonylContact O-C 3.48Å; I96-H99 PolarHBondContact O-N 2.87Å; I96-L102 HydrophobicContact CD1-CB 4.15Å; I96-L104 HydrophobicContact CD1-CB 3.44Å; I96-L104 VanDerWaalsContact CD1-CB 3.44Å; I96-L104 HydrophobicContact CD1-CD2 3.93Å; I96-L104 HydrophobicContact CD1-CG 4.3Å; I96-L104 HydrophobicContact CG1-CB 3.94Å; I96-L104 HydrophobicContact CG1-CD2 3.82Å; I96-V131 HydrophobicContact CB-CG2 4.28Å; I96-V131 HydrophobicContact CG1-CG2 3.96Å; I96-V131 HydrophobicContact CG2-CG2 4.22Å
97K93.1Very high93.8Very high128 Ų12846.3 Ų46.356%0.55724%0.24SC*.Hα-helixtrans-63.9-23.7174.2-73.1177.2177.8173.70114V93V93-K97 HydrophobicContact CG1-CD 3.88Å; V93-K97 VanDerWaalsContact CG1-CE 3.5Å; V93-K97 HydrophobicContact CG1-CG 4.39Å; V93-K97 WeakPolarHBondContact O-CB 3.46Å; V93-K97 WeakPolarHBondContact O-CG 3.46Å; V93-K97 PolarHBondContact O-N 2.88Å
98A92.6Very high93.8Very high73 Ų7343.1 Ų43.160%0.60322%0.218SC*.Hα-helixtrans-85.8-13174.400000112.5D94 F95 I96D94-A98 WeakPolarHBondContact O-CB 3.32Å; D94-A98 PolarHBondContact O-N 3.07Å; D94-A98 VanDerWaalsContact O-N 3.15Å; F95-A98 PolarHBondContact O-N 3.14Å; I96-A98 PolarHBondContact O-N 3.02Å
99H93.1Very high93.7Very high38 Ų3843.3 Ų43.318%0.17622%0.219CC..  trans-13469.5-174.9-56.477.3000110F95 I96 H101 L102F95-H99 AromaticContact CD2-CE1 3.55Å; F95-H99 AromaticContact CD2-ND1 3.51Å; F95-H99 AromaticContact CE2-CE1 3.42Å; F95-H99 VanDerWaalsContact CE2-CE1 3.42Å; F95-H99 WeakPolarHBondContact CE2-CE1 3.35Å; F95-H99 AromaticContact CE2-CG 3.99Å; F95-H99 AromaticContact CE2-ND1 3.47Å; F95-H99 WeakPolarHBondContact CE2-ND1 3.43Å; F95-H99 AromaticContact CE2-NE2 3.84Å; F95-H99 PolarHBondContact O-N 3.26Å; F95-H99 PolarHBondContact O-ND1 2.88Å; I96-H99 CarbonylContact O-C 3.48Å; I96-H99 PolarHBondContact O-N 2.87Å; H99-H101 AromaticContact CD2-CE1 3.85Å; H99-H101 PolarHBondContact O-N 3.37Å; H99-L102 HydrophobicContact CB-CB 4.37Å; H99-L102 HydrophobicContact CB-CD1 3.67Å; H99-L102 HydrophobicContact CB-CG 3.88Å; H99-L102 WeakPolarHBondContact O-CB 3.19Å; H99-L102 PolarHBondContact O-N 3.33Å
100D90.4Very high93.6Very high139 Ų13944 Ų4474%0.74322%0.222SC*.THydrogen-bonded Turntrans-60.7-16.2-176.5-63.7-20.6000114L102D100-L102 PolarHBondContact O-N 3.4Å
101H92.7Very high93.4Very high27 Ų2739 Ų3913%0.12521%0.205CC..THydrogen-bonded Turntrans-78.2-5.8174.463.5-88.3000113.3Q72 C73 Y74 H99Q72-H101 WeakPolarHBondContact O-CB 3.26Å; C73-H101 WeakPolarHBondContact CA-O 3.44Å; Y74-H101 AromaticContact CD2-CD2 3.96Å; Y74-H101 PolarHBondContact N-O 2.69Å; H99-H101 AromaticContact CD2-CE1 3.85Å; H99-H101 PolarHBondContact O-N 3.37Å
102L94.1Very high93Very high2 Ų238.4 Ų38.41%0.0120%0.199CC..EExtended strand (participates in β ladder)trans-106.2120.2179.3-57.9-177.4000111.6I63 L68 Y74 F95 I96 H99 D100I63-L102 HydrophobicContact CG2-CD1 3.99Å; L68-L102 HydrophobicContact CD1-CD2 3.93Å; Y74-L102 HydrophobicContact CD2-CD2 3.8Å; Y74-L102 HydrophobicContact CG-CD2 4.07Å; F95-L102 HydrophobicContact CE1-CD1 3.83Å; F95-L102 HydrophobicContact CE2-CD1 4.49Å; F95-L102 HydrophobicContact CZ-CD1 3.52Å; I96-L102 HydrophobicContact CD1-CB 4.15Å; H99-L102 HydrophobicContact CB-CB 4.37Å; H99-L102 HydrophobicContact CB-CD1 3.67Å; H99-L102 HydrophobicContact CB-CG 3.88Å; H99-L102 WeakPolarHBondContact O-CB 3.19Å; H99-L102 PolarHBondContact O-N 3.33Å; D100-L102 PolarHBondContact O-N 3.4Å
103N94.3Very high92.6Very high85 Ų8543.6 Ų43.646%0.45522%0.219SC..EExtended strand (participates in β ladder)trans-98108.1171.2-73.3-26.9000109.9Y74 V76Y74-N103 PolarHBondContact O-N 3.4Å; V76-N103 PolarHBondContact N-O 2.88Å
104L95.3Very high92.1Very high5 Ų546.6 Ų46.63%0.02623%0.233CC..EExtended strand (participates in β ladder)trans-100123.1-177.1176.866.1000112.5V76 C78 L92 I96 I106 V131 P132V76-L104 HydrophobicContact CB-CD1 3.86Å; V76-L104 HydrophobicContact CG1-CD1 3.52Å; V76-L104 CarbonylContact O-C 3.53Å; V76-L104 WeakPolarHBondContact O-CA 3.4Å; C78-L104 HydrophobicContact CB-CD1 4.4Å; L92-L104 HydrophobicContact CD2-CD2 4.04Å; I96-L104 HydrophobicContact CD1-CB 3.44Å; I96-L104 VanDerWaalsContact CD1-CB 3.44Å; I96-L104 HydrophobicContact CD1-CD2 3.93Å; I96-L104 HydrophobicContact CD1-CG 4.3Å; I96-L104 HydrophobicContact CG1-CB 3.94Å; I96-L104 HydrophobicContact CG1-CD2 3.82Å; L104-I106 HydrophobicContact CD1-CG1 4.44Å; L104-I106 HydrophobicContact CD2-CD1 4.2Å; L104-I106 HydrophobicContact CD2-CG1 4.31Å; L104-I106 HydrophobicContact CG-CG1 4.14Å; L104-V131 HydrophobicContact CB-CG1 4.3Å; L104-V131 HydrophobicContact CB-CG2 4.39Å; L104-V131 HydrophobicContact CD2-CG1 3.78Å; L104-V131 HydrophobicContact CD2-CG2 4.31Å; L104-V131 HydrophobicContact CG-CG1 3.84Å; L104-P132 WeakPolarHBondContact O-CD 3.28Å
105G94.4Very high91.7Very high5 Ų550.4 Ų50.45%0.05224%0.241CC..EExtended strand (participates in β ladder)trans-111.3134.7167.500000112.1V76 C78V76-G105 PolarHBondContact O-N 3.35Å; C78-G105 PolarHBondContact N-O 3.12Å
106I94.2Very high91.6Very high3 Ų352.3 Ų52.32%0.01526%0.255CS..EExtended strand (participates in β ladder)trans-116.5124.3-177.8-63.1-178.3000109.8L80 L92 L104 L126 V131 P132 V133 E134L80-I106 HydrophobicContact CD1-CG2 3.7Å; L92-I106 HydrophobicContact CD1-CD1 3.98Å; L104-I106 HydrophobicContact CD1-CG1 4.44Å; L104-I106 HydrophobicContact CD2-CD1 4.2Å; L104-I106 HydrophobicContact CD2-CG1 4.31Å; L104-I106 HydrophobicContact CG-CG1 4.14Å; I106-L126 HydrophobicContact CD1-CD1 4.2Å; I106-L126 HydrophobicContact CD1-CD2 4.31Å; I106-V131 HydrophobicContact CD1-CG1 3.5Å; I106-V131 HydrophobicContact CG1-CG1 3.73Å; I106-P132 PolarHBondContact N-O 3.05Å; I106-V133 HydrophobicContact CB-CG2 4.21Å; I106-V133 HydrophobicContact CD1-CG2 4.48Å; I106-V133 HydrophobicContact CG2-CG1 4.11Å; I106-V133 HydrophobicContact CG2-CG2 4.4Å; I106-V133 CarbonylContact O-C 3.6Å; I106-V133 WeakPolarHBondContact O-CA 3.3Å; I106-E134 PolarHBondContact O-N 3.2Å
107F93.3Very high91.4Very high34 Ų3458.5 Ų58.515%0.14928%0.281CS..EExtended strand (participates in β ladder)trans-117.9116.4175-64.9-89.3000109.6T77 C78 Y79 L80 E134 M136T77-F107 HydrophobicContact CG2-CD2 3.69Å; T77-F107 HydrophobicContact CG2-CE2 3.63Å; C78-F107 PolarHBondContact O-N 3.47Å; Y79-F107 CarbonylContact C-O 3.58Å; Y79-F107 WeakPolarHBondContact CA-O 3.29Å; Y79-F107 HydrophobicContact CD1-CB 3.82Å; Y79-F107 HydrophobicContact CD1-CD2 4.35Å; Y79-F107 HydrophobicContact CD1-CG 4.28Å; Y79-F107 HydrophobicContact CE1-CB 4.27Å; Y79-F107 HydrophobicContact CE1-CD2 4.1Å; Y79-F107 HydrophobicContact CE1-CG 4.24Å; L80-F107 PolarHBondContact N-O 3.22Å; F107-E134 CarbonylContact C-O 3.46Å; F107-E134 WeakPolarHBondContact CA-O 3.48Å; F107-E134 HydrophobicContact CD1-CB 3.94Å; F107-E134 HydrophobicContact CE1-CB 4.05Å; F107-E134 WeakPolarHBondContact CE1-OE2 3.34Å; F107-M136 HydrophobicContact CB-CG 3.75Å
108A92.8Very high91.3Very high0 Ų056.1 Ų56.10%028%0.279CS..EExtended strand (participates in β ladder)trans-105.7128.418000000111.5L80 R110 E134 V135 M136L80-A108 CarbonylContact O-C 3.54Å; L80-A108 WeakPolarHBondContact O-CA 3.44Å; A108-R110 VanDerWaalsContact C-N 3.32Å; A108-E134 PolarHBondContact N-O 2.07Å; A108-V135 CarbonylContact O-C 3.54Å; A108-V135 VanDerWaalsContact O-CA 3.27Å; A108-V135 WeakPolarHBondContact O-CA 3.39Å; A108-M136 PolarHBondContact O-N 3.06Å
109S90.9Very high91.2Very high7 Ų753.1 Ų53.15%0.04925%0.252CS..SBendtrans-65.5-37.1171.6172.90000111.9F13 N15 L80F13-S109 PolarHBondContact O-OG 2.81Å; N15-S109 WeakPolarHBondContact CB-O 3.39Å; L80-S109 PolarHBondContact O-N 2.85Å
110R90.9Very high91.1Very high15 Ų1553.5 Ų53.56%0.05725%0.254CS..SBendtrans-141.7146-178-60.6176.1-65.8-90.9-1.7110.3Q12 N14 N15 R26 T81 W82 S83 A108Q12-R110 VanDerWaalsContact O-CZ 3.3Å; Q12-R110 PolarHBondContact O-NH1 3.04Å; Q12-R110 PolarHBondContact O-NH2 2.73Å; N14-R110 VanDerWaalsContact C-NH1 3.3Å; N14-R110 PolarHBondContact O-NH1 3.36Å; N15-R110 HydrophobicContact CB-CG 4.18Å; R26-R110 VanDerWaalsContact NH1-CD 3.25Å; T81-R110 PolarHBondContact O-N 3.11Å; T81-R110 PolarHBondContact O-NE 3.31Å; T81-R110 PolarHBondContact O-NH2 3.42Å; T81-R110 VanDerWaalsContact O-NH2 3.09Å; W82-R110 CarbonylContact C-O 3.57Å; W82-R110 WeakPolarHBondContact CA-O 3.41Å; W82-R110 HydrophobicContact CD2-CB 4.1Å; W82-R110 VanDerWaalsContact CE2-NE 3.28Å; W82-R110 HydrophobicContact CE3-CB 3.5Å; W82-R110 VanDerWaalsContact CE3-CB 3.5Å; W82-R110 HydrophobicContact CH2-CB 4.22Å; W82-R110 VanDerWaalsContact CZ2-NE 3.33Å; W82-R110 HydrophobicContact CZ3-CB 3.57Å; W82-R110 HydrophobicContact CZ3-CG 4.44Å; S83-R110 PolarHBondContact N-O 3.11Å; A108-R110 VanDerWaalsContact C-N 3.32Å
111L90.3Very high91.1Very high38 Ų3854 Ų5420%0.19925%0.25CC..  trans-86.7118.4173.8-55.5177.2000110.1H114 L123 V135L111-H114 HydrophobicContact CB-CB 3.65Å; L111-H114 HydrophobicContact CD1-CB 4.14Å; L111-L123 HydrophobicContact CD2-CD1 4.37Å; L111-V135 HydrophobicContact CD2-CG2 4.08Å; L111-V135 HydrophobicContact CG-CG2 4.34Å
112Y85.6Confident91.1Very high89 Ų8952.8 Ų52.835%0.34924%0.244SC..THydrogen-bonded Turntrans-71.7132.6173-172.8-114.7000109.1W82 S83 C85 H114 Q119W82-Y112 HydrophobicContact CD2-CD2 4.49Å; W82-Y112 HydrophobicContact CE3-CD2 4.29Å; S83-Y112 WeakPolarHBondContact O-CB 3.23Å; S83-Y112 PolarHBondContact OG-N 2.78Å; C85-Y112 HydrophobicContact CB-CD1 4.46Å; C85-Y112 HydrophobicContact CB-CE1 4.39Å; Y112-H114 PolarHBondContact O-N 2.88Å; Y112-Q119 WeakPolarHBondContact O-CG 3.43Å; Y112-Q119 PolarHBondContact O-NE2 3.21Å
113Y87.2Confident91Very high115 Ų11553.7 Ų53.745%0.45125%0.249SC..THydrogen-bonded Turntrans34.844.5177.6-67.8-46.9000115.8W115 C116 Q119Y113-W115 AromaticContact CD1-CE2 3.79Å; Y113-W115 AromaticContact CD1-CH2 3.88Å; Y113-W115 HydrophobicContact CD1-CH2 3.88Å; Y113-W115 AromaticContact CD1-CZ2 3.34Å; Y113-W115 HydrophobicContact CD1-CZ2 3.34Å; Y113-W115 HydrophobicContact CE1-CH2 4.29Å; Y113-W115 AromaticContact CE1-CZ2 3.74Å; Y113-W115 HydrophobicContact CE1-CZ2 3.74Å; Y113-W115 PolarHBondContact O-N 3Å; Y113-C116 WeakPolarHBondContact O-CB 3.35Å; Y113-C116 PolarHBondContact O-N 3.26Å; Y113-Q119 WeakPolarHBondContact O-CB 3.49Å; Y113-Q119 WeakPolarHBondContact O-CG 3.34Å
114H85.8Confident90.9Very high64 Ų6455 Ų5530%0.29625%0.247SC..THydrogen-bonded Turntrans-64.4-15.9-172.868.881.7000113.9L111 Y112 C116 Q120L111-H114 HydrophobicContact CB-CB 3.65Å; L111-H114 HydrophobicContact CD1-CB 4.14Å; Y112-H114 PolarHBondContact O-N 2.88Å; H114-C116 VanDerWaalsContact C-N 3.34Å; H114-Q120 WeakPolarHBondContact O-CG 3.4Å; H114-Q120 PolarHBondContact O-NE2 3.22Å
115W87.3Confident90.8Very high168 Ų16856.7 Ų56.764%0.63626%0.257SS*.THydrogen-bonded Turntrans-78.9-16.3173.356.985000113.2Y113Y113-W115 AromaticContact CD1-CE2 3.79Å; Y113-W115 AromaticContact CD1-CH2 3.88Å; Y113-W115 HydrophobicContact CD1-CH2 3.88Å; Y113-W115 AromaticContact CD1-CZ2 3.34Å; Y113-W115 HydrophobicContact CD1-CZ2 3.34Å; Y113-W115 HydrophobicContact CE1-CH2 4.29Å; Y113-W115 AromaticContact CE1-CZ2 3.74Å; Y113-W115 HydrophobicContact CE1-CZ2 3.74Å; Y113-W115 PolarHBondContact O-N 3Å
116C91.4Very high90.8Very high47 Ų4756.5 Ų56.532%0.31825%0.254SS..SBendtrans-84.4132.5-178.9-66.90000111.5Y113 H114 Q119 Q120Y113-C116 WeakPolarHBondContact O-CB 3.35Å; Y113-C116 PolarHBondContact O-N 3.26Å; H114-C116 VanDerWaalsContact C-N 3.34Å; C116-Q119 HydrophobicContact CB-CB 4.23Å; C116-Q119 WeakPolarHBondContact O-CB 3.1Å; C116-Q119 PolarHBondContact O-N 3.38Å; C116-Q120 PolarHBondContact O-N 2.92Å; C116-Q120 VanDerWaalsContact O-N 3.11Å
117K90.7Very high90.7Very high146 Ų14659.6 Ų59.664%0.63528%0.275SS*.Hα-helixtrans-58.4-43.9179.2-69.5-69.7-174.4-1790114.4Q119 Q120 K121K117-Q119 VanDerWaalsContact C-N 3.25Å; K117-Q119 PolarHBondContact O-N 3.09Å; K117-Q120 PolarHBondContact O-N 2.93Å; K117-K121 WeakPolarHBondContact O-CG 3.5Å; K117-K121 PolarHBondContact O-N 3.47Å
118P90.8Very high90.6Very high79 Ų7961.2 Ų61.251%0.51330%0.302SS..Hα-helixtrans-60.2-37.9178.8-24.835.2000112.7S86 K121 G122S86-P118 WeakPolarHBondContact CB-O 3.5Å; P118-K121 PolarHBondContact O-N 3.4Å; P118-G122 PolarHBondContact O-N 3.32Å
119Q90Very high90.5Very high9 Ų962.1 Ų62.14%0.04231%0.308CS..Hα-helixtrans-69-44.7-180-172.960.122.300111.6S83 P84 Y112 Y113 C116 K117 K121 G122 L123S83-Q119 PolarHBondContact OG-NE2 2.87Å; P84-Q119 PolarHBondContact O-NE2 3.26Å; Y112-Q119 WeakPolarHBondContact O-CG 3.43Å; Y112-Q119 PolarHBondContact O-NE2 3.21Å; Y113-Q119 WeakPolarHBondContact O-CB 3.49Å; Y113-Q119 WeakPolarHBondContact O-CG 3.34Å; C116-Q119 HydrophobicContact CB-CB 4.23Å; C116-Q119 WeakPolarHBondContact O-CB 3.1Å; C116-Q119 PolarHBondContact O-N 3.38Å; K117-Q119 VanDerWaalsContact C-N 3.25Å; K117-Q119 PolarHBondContact O-N 3.09Å; Q119-K121 VanDerWaalsContact C-N 3.31Å; Q119-K121 PolarHBondContact O-N 3.41Å; Q119-G122 PolarHBondContact O-N 3.03Å; Q119-L123 WeakPolarHBondContact O-CG 3.33Å; Q119-L123 PolarHBondContact O-N 3.2Å
120Q90.4Very high90.5Very high46 Ų4670.3 Ų70.322%0.21535%0.346CS..Hα-helixtrans-58.8-42.4172.4-68.9175.24.300112H114 C116 K117 L123 R124 V154H114-Q120 WeakPolarHBondContact O-CG 3.4Å; H114-Q120 PolarHBondContact O-NE2 3.22Å; C116-Q120 PolarHBondContact O-N 2.92Å; C116-Q120 VanDerWaalsContact O-N 3.11Å; K117-Q120 PolarHBondContact O-N 2.93Å; Q120-L123 PolarHBondContact O-N 3.04Å; Q120-R124 WeakPolarHBondContact O-CG 3.49Å; Q120-R124 PolarHBondContact O-N 3.01Å; Q120-V154 HydrophobicContact CB-CG1 4Å; Q120-V154 HydrophobicContact CG-CG1 4.27Å
121K91.9Very high90.6Very high151 Ų15169.6 Ų69.666%0.65734%0.343SS*.Hα-helixtrans-61.5-44.2176.2-74-177.9177.3-172.90111.7K117 P118 Q119 R124 L125K117-K121 WeakPolarHBondContact O-CG 3.5Å; K117-K121 PolarHBondContact O-N 3.47Å; P118-K121 PolarHBondContact O-N 3.4Å; Q119-K121 VanDerWaalsContact C-N 3.31Å; Q119-K121 PolarHBondContact O-N 3.41Å; K121-R124 PolarHBondContact O-N 3.46Å; K121-L125 VanDerWaalsContact O-CB 3.31Å; K121-L125 WeakPolarHBondContact O-CB 3.13Å; K121-L125 PolarHBondContact O-N 2.85Å
122G92Very high90.7Very high1 Ų170.8 Ų70.81%0.0135%0.353CS..Hα-helixtrans-60.5-45176.500000112.7A89 P118 Q119 L125 L126A89-G122 WeakPolarHBondContact CB-O 3.43Å; P118-G122 PolarHBondContact O-N 3.32Å; Q119-G122 PolarHBondContact O-N 3.03Å; G122-L125 WeakPolarHBondContact O-CB 3.24Å; G122-L125 PolarHBondContact O-N 2.77Å; G122-L126 PolarHBondContact O-N 3Å; G122-L126 VanDerWaalsContact O-N 3.09Å
123L91.8Very high90.9Very high20 Ų2067.2 Ų67.211%0.10534%0.341CS..Hα-helixtrans-66.6-40.5177.4-60.6-178.1000112.5P84 L111 Q119 Q120 L125 L126 C127 V133P84-L123 HydrophobicContact CG-CD2 4.1Å; L111-L123 HydrophobicContact CD2-CD1 4.37Å; Q119-L123 WeakPolarHBondContact O-CG 3.33Å; Q119-L123 PolarHBondContact O-N 3.2Å; Q120-L123 PolarHBondContact O-N 3.04Å; L123-L125 VanDerWaalsContact C-N 3.31Å; L123-L125 PolarHBondContact O-N 2.68Å; L123-L126 HydrophobicContact CD2-CD1 4.32Å; L123-L126 PolarHBondContact O-N 3.42Å; L123-C127 PolarHBondContact O-N 3.44Å; L123-C127 PolarHBondContact O-SG 3.48Å; L123-V133 HydrophobicContact CD2-CG1 4.34Å
124R91.9Very high91.1Very high112 Ų11264.9 Ų64.942%0.42333%0.334SS..Hα-helixtrans-62.3-39.6173.4-73-176.7-156.5-120.73.2112.1Q120 K121 L126 C127 G128 V154Q120-R124 WeakPolarHBondContact O-CG 3.49Å; Q120-R124 PolarHBondContact O-N 3.01Å; K121-R124 PolarHBondContact O-N 3.46Å; R124-L126 VanDerWaalsContact C-N 3.34Å; R124-C127 PolarHBondContact O-N 3.47Å; R124-G128 PolarHBondContact O-N 2.97Å; R124-V154 HydrophobicContact CG-CB 3.57Å; R124-V154 HydrophobicContact CG-CG1 3.75Å; R124-V154 HydrophobicContact CG-CG2 3.87Å; R124-V154 VanDerWaalsContact NE-CB 3.3Å; R124-V154 PolarHBondContact NH1-O 3.35Å; R124-V154 PolarHBondContact NH1-OXT 2.91Å; R124-V154 VanDerWaalsContact NH2-CG1 3.28Å; R124-V154 PolarHBondContact NH2-OXT 2.84Å
125L93.8Very high91.3Very high42 Ų4263.7 Ų63.722%0.2233%0.331CS..Hα-helixtrans-62.5-42.5179.2179.169.5000111.2W90 V93 K121 G122 L123 G128 S129W90-L125 HydrophobicContact CD2-CD2 3.31Å; W90-L125 VanDerWaalsContact CE2-CD2 3.46Å; W90-L125 HydrophobicContact CE3-CD2 3.41Å; W90-L125 VanDerWaalsContact CE3-CD2 3.41Å; W90-L125 HydrophobicContact CG-CD2 3.95Å; W90-L125 HydrophobicContact CH2-CD1 4.39Å; W90-L125 HydrophobicContact CH2-CD2 3.77Å; W90-L125 HydrophobicContact CZ2-CD2 3.7Å; W90-L125 HydrophobicContact CZ3-CD1 4.43Å; W90-L125 HydrophobicContact CZ3-CD2 3.64Å; V93-L125 HydrophobicContact CG2-CD2 4.27Å; V93-L125 HydrophobicContact CG2-CG 3.99Å; K121-L125 VanDerWaalsContact O-CB 3.31Å; K121-L125 WeakPolarHBondContact O-CB 3.13Å; K121-L125 PolarHBondContact O-N 2.85Å; G122-L125 WeakPolarHBondContact O-CB 3.24Å; G122-L125 PolarHBondContact O-N 2.77Å; L123-L125 VanDerWaalsContact C-N 3.31Å; L123-L125 PolarHBondContact O-N 2.68Å; L125-G128 PolarHBondContact O-N 3.47Å; L125-S129 WeakPolarHBondContact O-CB 3.35Å; L125-S129 PolarHBondContact O-N 2.82Å; L125-S129 PolarHBondContact O-OG 2.98Å
126L93.6Very high91.2Very high0 Ų057.7 Ų57.70%031%0.311CS..Hα-helixtrans-57.2-54.3173.3-74.5167.7000110.9P84 A89 L92 V93 I106 G122 L123 R124 G128 S129 V131 V133P84-L126 HydrophobicContact CG-CD1 3.61Å; A89-L126 HydrophobicContact CB-CD1 3.75Å; A89-L126 HydrophobicContact CB-CD2 4.44Å; A89-L126 HydrophobicContact CB-CG 3.89Å; L92-L126 HydrophobicContact CB-CD2 3.84Å; L92-L126 HydrophobicContact CD1-CD2 4.42Å; V93-L126 HydrophobicContact CG2-CD2 3.85Å; V93-L126 HydrophobicContact CG2-CG 4.43Å; I106-L126 HydrophobicContact CD1-CD1 4.2Å; I106-L126 HydrophobicContact CD1-CD2 4.31Å; G122-L126 PolarHBondContact O-N 3Å; G122-L126 VanDerWaalsContact O-N 3.09Å; L123-L126 HydrophobicContact CD2-CD1 4.32Å; L123-L126 PolarHBondContact O-N 3.42Å; R124-L126 VanDerWaalsContact C-N 3.34Å; L126-G128 VanDerWaalsContact C-N 3.29Å; L126-G128 PolarHBondContact O-N 3.41Å; L126-S129 CarbonylContact O-C 3.51Å; L126-S129 PolarHBondContact O-N 2.88Å; L126-V131 CarbonylContact C-O 3.58Å; L126-V131 HydrophobicContact CB-CB 4.29Å; L126-V131 HydrophobicContact CD2-CB 4.19Å; L126-V131 HydrophobicContact CD2-CG1 4.07Å; L126-V131 WeakPolarHBondContact O-CB 3.47Å; L126-V131 PolarHBondContact O-N 3.32Å; L126-V133 HydrophobicContact CB-CG2 3.66Å; L126-V133 HydrophobicContact CD1-CG2 3.77Å; L126-V133 HydrophobicContact CG-CG2 4.35Å
127C91.4Very high90.6Very high68 Ų6857 Ų5746%0.45931%0.312SS..Hα-helixtrans-59.9-39.5179.6-64.30000112.6L123 R124 S129 Q130 V131L123-C127 PolarHBondContact O-N 3.44Å; L123-C127 PolarHBondContact O-SG 3.48Å; R124-C127 PolarHBondContact O-N 3.47Å; C127-S129 PolarHBondContact O-N 3.24Å; C127-Q130 PolarHBondContact O-N 3.44Å; C127-V131 WeakPolarHBondContact CA-O 3.42Å; C127-V131 PolarHBondContact N-O 3.22Å
128G91.5Very high89.3Confident69 Ų6959.4 Ų59.471%0.71132%0.322SS*.Hα-helixtrans-70.7-16.4176.500000114.2R124 L125 L126R124-G128 PolarHBondContact O-N 2.97Å; L125-G128 PolarHBondContact O-N 3.47Å; L126-G128 VanDerWaalsContact C-N 3.29Å; L126-G128 PolarHBondContact O-N 3.41Å
129S92.4Very high87.8Confident19 Ų1959.2 Ų59.213%0.13332%0.321CS..THydrogen-bonded Turntrans-10530.9178.2-50.50000111.8V93 L125 L126 C127 V131V93-S129 WeakPolarHBondContact CG1-OG 3.24Å; L125-S129 WeakPolarHBondContact O-CB 3.35Å; L125-S129 PolarHBondContact O-N 2.82Å; L125-S129 PolarHBondContact O-OG 2.98Å; L126-S129 CarbonylContact O-C 3.51Å; L126-S129 PolarHBondContact O-N 2.88Å; C127-S129 PolarHBondContact O-N 3.24Å; S129-V131 PolarHBondContact O-N 2.76Å; S129-V131 VanDerWaalsContact O-N 3.17Å
130Q90.2Very high86Confident179 Ų17962.5 Ų62.584%0.83634%0.339SS*.THydrogen-bonded Turntrans63.317.4177.8-55.1174.1-62.900115C127 P132C127-Q130 PolarHBondContact O-N 3.44Å; Q130-P132 WeakPolarHBondContact O-CD 3.43Å
131V93.1Very high83.5Confident0 Ų066 Ų660%037%0.368CS..  trans-104.591.8173.5-177.50000108.6I96 L104 I106 L126 C127 S129 V133I96-V131 HydrophobicContact CB-CG2 4.28Å; I96-V131 HydrophobicContact CG1-CG2 3.96Å; I96-V131 HydrophobicContact CG2-CG2 4.22Å; L104-V131 HydrophobicContact CB-CG1 4.3Å; L104-V131 HydrophobicContact CB-CG2 4.39Å; L104-V131 HydrophobicContact CD2-CG1 3.78Å; L104-V131 HydrophobicContact CD2-CG2 4.31Å; L104-V131 HydrophobicContact CG-CG1 3.84Å; I106-V131 HydrophobicContact CD1-CG1 3.5Å; I106-V131 HydrophobicContact CG1-CG1 3.73Å; L126-V131 CarbonylContact C-O 3.58Å; L126-V131 HydrophobicContact CB-CB 4.29Å; L126-V131 HydrophobicContact CD2-CB 4.19Å; L126-V131 HydrophobicContact CD2-CG1 4.07Å; L126-V131 WeakPolarHBondContact O-CB 3.47Å; L126-V131 PolarHBondContact O-N 3.32Å; C127-V131 WeakPolarHBondContact CA-O 3.42Å; C127-V131 PolarHBondContact N-O 3.22Å; S129-V131 PolarHBondContact O-N 2.76Å; S129-V131 VanDerWaalsContact O-N 3.17Å; V131-V133 PolarHBondContact O-N 2.94Å
132P91.3Very high81.3Confident62 Ų6268.3 Ų68.340%0.40337%0.373SS..  trans-61.2130.2178.724-33.9000110.5L104 I106 Q130L104-P132 WeakPolarHBondContact O-CD 3.28Å; I106-P132 PolarHBondContact N-O 3.05Å; Q130-P132 WeakPolarHBondContact O-CD 3.43Å
133V90.9Very high79.1Confident15 Ų1571 Ų719%0.09140%0.4CS..EExtended strand (participates in β ladder)trans-113.2114173.2-173.70000109.2I106 L123 L126 V131I106-V133 HydrophobicContact CB-CG2 4.21Å; I106-V133 HydrophobicContact CD1-CG2 4.48Å; I106-V133 HydrophobicContact CG2-CG1 4.11Å; I106-V133 HydrophobicContact CG2-CG2 4.4Å; I106-V133 CarbonylContact O-C 3.6Å; I106-V133 WeakPolarHBondContact O-CA 3.3Å; L123-V133 HydrophobicContact CD2-CG1 4.34Å; L126-V133 HydrophobicContact CB-CG2 3.66Å; L126-V133 HydrophobicContact CD1-CG2 3.77Å; L126-V133 HydrophobicContact CG-CG2 4.35Å; V131-V133 PolarHBondContact O-N 2.94Å
134E91.1Very high76.9Confident66 Ų6673.2 Ų73.231%0.30842%0.415SS..EExtended strand (participates in β ladder)trans-123.5156.7-176.9-63.9-176.2176.800111.5I106 F107 A108 A146I106-E134 PolarHBondContact O-N 3.2Å; F107-E134 CarbonylContact C-O 3.46Å; F107-E134 WeakPolarHBondContact CA-O 3.48Å; F107-E134 HydrophobicContact CD1-CB 3.94Å; F107-E134 HydrophobicContact CE1-CB 4.05Å; F107-E134 WeakPolarHBondContact CE1-OE2 3.34Å; A108-E134 PolarHBondContact N-O 2.07Å; E134-A146 WeakPolarHBondContact OE2-CA 3.4Å; E134-A146 WeakPolarHBondContact OE2-CB 3.49Å
135V89.1Confident74.7Confident38 Ų3869.6 Ų69.623%0.2341%0.406CS..EExtended strand (participates in β ladder)trans-89132.6174.41770000109A108 L111 G137 G147 L149A108-V135 CarbonylContact O-C 3.54Å; A108-V135 VanDerWaalsContact O-CA 3.27Å; A108-V135 WeakPolarHBondContact O-CA 3.39Å; L111-V135 HydrophobicContact CD2-CG2 4.08Å; L111-V135 HydrophobicContact CG-CG2 4.34Å; V135-G137 PolarHBondContact O-N 3.35Å; V135-G137 VanDerWaalsContact O-N 3.1Å; V135-G147 PolarHBondContact O-N 3.42Å; V135-L149 HydrophobicContact CG2-CD2 3.83Å; V135-L149 HydrophobicContact CG2-CG 4.28Å
136M86.4Confident72.4Confident43 Ų4369.1 Ų69.121%0.21241%0.408CS..EExtended strand (participates in β ladder)trans-62115.2176.9-66.2177.375.500110.1F13 Y79 F107 A108F13-M136 HydrophobicContact CD1-CE 3.98Å; F13-M136 HydrophobicContact CD1-SD 3.8Å; F13-M136 HydrophobicContact CE1-CE 4.07Å; F13-M136 HydrophobicContact CE1-SD 3.84Å; Y79-M136 HydrophobicContact CD1-CE 3.83Å; Y79-M136 HydrophobicContact CD1-SD 4.34Å; Y79-M136 HydrophobicContact CG-CE 4.44Å; F107-M136 HydrophobicContact CB-CG 3.75Å; A108-M136 PolarHBondContact O-N 3.06Å
137G78.8Confident70Confident33 Ų3370.4 Ų70.434%0.3442%0.422SS..  trans-111.3178.7172.300000111.7V135 C145V135-G137 PolarHBondContact O-N 3.35Å; V135-G137 VanDerWaalsContact O-N 3.1Å; G137-C145 PolarHBondContact N-O 2.93Å
138F63.9Low67.5Low196 Ų19671.5 Ų71.586%0.8643%0.43SS*.PPolyproline II helixtrans-63139.2161.1-101.4-88.6000108.6D140F138-D140 PolarHBondContact O-N 2.88Å; F138-D140 VanDerWaalsContact O-N 3.16Å
139P58.5Low65.2Low74 Ų7471 Ų7148%0.48141%0.411SS..PPolyproline II helixtrans-54.8124172.1-19.429.7000109.1T144P139-T144 VanDerWaalsContact CA-O 3.26Å; P139-T144 WeakPolarHBondContact CA-O 3.41Å
140D51.6Low62.3Low79 Ų7978.4 Ų78.442%0.42244%0.443SS..PPolyproline II helixtrans-63.2164.2166-172.211.3000108.3F138 R142 G143 T144F138-D140 PolarHBondContact O-N 2.88Å; F138-D140 VanDerWaalsContact O-N 3.16Å; D140-R142 PolarHBondContact O-N 3.41Å; D140-R142 IonicContact OD2-NE 3.79Å; D140-R142 IonicContact OD2-NH2 3.33Å; D140-R142 PolarHBondContact OD2-NH2 2.91Å; D140-G143 PolarHBondContact O-N 3.4Å; D140-T144 PolarHBondContact N-O 3.49Å
141S38.3Very low59.5Low118 Ų11872.9 Ų72.983%0.82543%0.434SS*.THydrogen-bonded Turntrans-46.5-16.6176.950.90000115.6
142R46Very low56.7Low200 Ų20078.3 Ų78.376%0.75546%0.456SS*.THydrogen-bonded Turntrans-92.18173.9-67175.9-73.3-175.7-2.8114.6D140 T144D140-R142 PolarHBondContact O-N 3.41Å; D140-R142 IonicContact OD2-NE 3.79Å; D140-R142 IonicContact OD2-NH2 3.33Å; D140-R142 PolarHBondContact OD2-NH2 2.91Å; R142-T144 VanDerWaalsContact C-N 3.27Å; R142-T144 PolarHBondContact O-N 2.96Å
143G45.2Very low53.7Low57 Ų5782.4 Ų82.459%0.58847%0.473SS*.SBendtrans74.511.5-179.800000114.7D140D140-G143 PolarHBondContact O-N 3.4Å
144T46.5Very low51.2Low67 Ų6786.1 Ų86.141%0.41150%0.495SS..  trans-89.6114.3-178.4-7.50000110P139 D140 R142 A146P139-T144 VanDerWaalsContact CA-O 3.26Å; P139-T144 WeakPolarHBondContact CA-O 3.41Å; D140-T144 PolarHBondContact N-O 3.49Å; R142-T144 VanDerWaalsContact C-N 3.27Å; R142-T144 PolarHBondContact O-N 2.96Å; T144-A146 HydrophobicContact CG2-CB 4.19Å; T144-A146 PolarHBondContact O-N 3.23Å
145C45.6Very low49.2Very low36 Ų3687.1 Ų87.124%0.24350%0.504CS..  trans-69.112.2177.5-500000114.1G137 G147G137-C145 PolarHBondContact N-O 2.93Å; C145-G147 PolarHBondContact O-N 2.96Å
146A44.6Very low47.1Very low32 Ų3289.7 Ų89.726%0.26452%0.519SS..EExtended strand (participates in β ladder)trans-83.5102.4-170.200000110.7E134 T144 S148E134-A146 WeakPolarHBondContact OE2-CA 3.4Å; E134-A146 WeakPolarHBondContact OE2-CB 3.49Å; T144-A146 HydrophobicContact CG2-CB 4.19Å; T144-A146 PolarHBondContact O-N 3.23Å; A146-S148 PolarHBondContact O-N 2.75Å
147G44.7Very low44.9Very low27 Ų2792.3 Ų92.328%0.27854%0.536SS..EExtended strand (participates in β ladder)trans-74110.2160.700000108.8V135 C145 L149V135-G147 PolarHBondContact O-N 3.42Å; C145-G147 PolarHBondContact O-N 2.96Å; G147-L149 PolarHBondContact O-N 3.16Å
148S38.2Very low42.9Very low91 Ų9195.8 Ų95.864%0.63655%0.547SS*.  trans-58.9124.4175.6-164.80000110A146 H150A146-S148 PolarHBondContact O-N 2.75Å; S148-H150 PolarHBondContact O-N 2.84Å; S148-H150 PolarHBondContact OG-ND1 2.96Å
149L43.1Very low41.6Very low60 Ų6089.5 Ų89.531%0.31453%0.528SS..  trans-7152.3172.2-76.1156.3000110.8V135 G147 G151 Y152V135-L149 HydrophobicContact CG2-CD2 3.83Å; V135-L149 HydrophobicContact CG2-CG 4.28Å; G147-L149 PolarHBondContact O-N 3.16Å; L149-G151 PolarHBondContact O-N 3.04Å; L149-Y152 HydrophobicContact CD2-CD2 4.42Å; L149-Y152 HydrophobicContact CD2-CG 4.43Å; L149-Y152 PolarHBondContact O-N 3.2Å
150H31.6Very low40.5Very low173 Ų17390.5 Ų90.580%0.80153%0.531SS*.THydrogen-bonded Turntrans-66.53.1176.8-102.677.6000113.9S148S148-H150 PolarHBondContact O-N 2.84Å; S148-H150 PolarHBondContact OG-ND1 2.96Å
151G31.8Very low39.7Very low64 Ų6491.4 Ų91.466%0.6654%0.539SS*.THydrogen-bonded Turntrans-1386.8176.400000115.4L149L149-G151 PolarHBondContact O-N 3.04Å
152Y34Very low39.8Very low114 Ų11489.3 Ų89.345%0.44752%0.516SS..  trans-140.852.6175.3-71-80.6000108.4R17 L149 V154R17-Y152 PolarHBondContact NH2-OH 2.77Å; R17-Y152 VanDerWaalsContact NH2-OH 3.12Å; L149-Y152 HydrophobicContact CD2-CD2 4.42Å; L149-Y152 HydrophobicContact CD2-CG 4.43Å; L149-Y152 PolarHBondContact O-N 3.2Å; Y152-V154 PolarHBondContact O-N 3.5Å
153I27.5Very low39.3Very low148 Ų14880.1 Ų80.176%0.75950%0.497SS*.  trans-62.4119159.7-60.1173.1000105.1
154V38.7Very low38.7Very low92 Ų9282.2 Ų82.256%0.55849%0.488SS*.  trans-72.40163.7-124.60000106.6Q120 R124 Y152Q120-V154 HydrophobicContact CB-CG1 4Å; Q120-V154 HydrophobicContact CG-CG1 4.27Å; R124-V154 HydrophobicContact CG-CB 3.57Å; R124-V154 HydrophobicContact CG-CG1 3.75Å; R124-V154 HydrophobicContact CG-CG2 3.87Å; R124-V154 VanDerWaalsContact NE-CB 3.3Å; R124-V154 PolarHBondContact NH1-O 3.35Å; R124-V154 PolarHBondContact NH1-OXT 2.91Å; R124-V154 VanDerWaalsContact NH2-CG1 3.28Å; R124-V154 PolarHBondContact NH2-OXT 2.84Å; Y152-V154 PolarHBondContact O-N 3.5Å

Retrieved 154 of 154 residues in 585.3 ms (Link to these results)

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