A0A087YNM4_POEFO Loading...

DnaJ heat shock protein family (Hsp40) member B13

AlphaFold DB , UniProt , Accession A0A087YNM4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 340 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
1I32.6Very low48.5Very low222 Ų222102.5 Ų102.5100%1.13856%0.56SS**  088.90-57.9165.4000106.3
2G38.2Very low49.2Very low78 Ų78100.7 Ų100.780%0.80455%0.549SS*.PPolyproline II helixtrans-80.5121.9-177.500000109.6S4G2-S4 PolarHBondContact O-N 2.85Å
3L44.8Very low50.3Low105 Ų10596.1 Ų96.155%0.5553%0.528SS..PPolyproline II helixtrans-64.5127.5167.3-71.1161.4000107.4T7 L8L3-T7 HydrophobicContact CD2-CG2 4.04Å; L3-L8 HydrophobicContact CB-CG 4.37Å
4S52Low51.5Low59 Ų5991.9 Ų91.941%0.41350%0.501SS..PPolyproline II helixtrans-60.9153.1-179.673.10000110.7G2 E6 T7 L8G2-S4 PolarHBondContact O-N 2.85Å; S4-E6 PolarHBondContact O-N 2.81Å; S4-E6 VanDerWaalsContact O-N 3.15Å; S4-T7 WeakPolarHBondContact O-CA 3.41Å; S4-T7 WeakPolarHBondContact O-CB 3.41Å; S4-T7 PolarHBondContact O-N 3.07Å; S4-T7 PolarHBondContact OG-N 2.63Å; S4-T7 PolarHBondContact OG-OG1 3.43Å; S4-L8 PolarHBondContact O-N 2.82Å; S4-L8 VanDerWaalsContact O-N 3.14Å
5L46Very low52.7Low125 Ų12589.9 Ų89.965%0.65449%0.489SS*.Hα-helixtrans-53.7-36179.5-159.590.4000112L8 Q9L5-L8 PolarHBondContact O-N 3.27Å; L5-Q9 PolarHBondContact O-N 3.41Å
6E49.1Very low53.6Low156 Ų15695.8 Ų95.873%0.72950%0.502SS*.Hα-helixtrans-65.2-39.8175.2-63.2-179.4163.900112.1S4 L8 Q9 F10S4-E6 PolarHBondContact O-N 2.81Å; S4-E6 VanDerWaalsContact O-N 3.15Å; E6-L8 VanDerWaalsContact C-N 3.3Å; E6-L8 PolarHBondContact O-N 2.88Å; E6-Q9 PolarHBondContact O-N 3.22Å; E6-F10 VanDerWaalsContact O-CB 3.29Å; E6-F10 WeakPolarHBondContact O-CB 3.32Å; E6-F10 PolarHBondContact O-N 2.97Å
7T51.6Low54.7Low44 Ų44100.2 Ų100.227%0.2751%0.51SS..Hα-helixtrans-65-36.9177.3-40.40000111.1L3 S4 L11L3-T7 HydrophobicContact CD2-CG2 4.04Å; S4-T7 WeakPolarHBondContact O-CA 3.41Å; S4-T7 WeakPolarHBondContact O-CB 3.41Å; S4-T7 PolarHBondContact O-N 3.07Å; S4-T7 PolarHBondContact OG-N 2.63Å; S4-T7 PolarHBondContact OG-OG1 3.43Å; T7-L11 HydrophobicContact CG2-CD1 4.42Å; T7-L11 WeakPolarHBondContact O-CB 3.48Å; T7-L11 WeakPolarHBondContact O-CD1 3.34Å; T7-L11 VanDerWaalsContact O-CG 3.27Å; T7-L11 WeakPolarHBondContact O-CG 3.48Å; T7-L11 PolarHBondContact O-N 3.37Å
8L51.1Low56Low52 Ų5294.8 Ų94.827%0.27248%0.483SS..Hα-helixtrans-71.9-42.3177.3-73.3171.1000112.7L3 S4 L5 E6 F10 L11 L12 F127L3-L8 HydrophobicContact CB-CG 4.37Å; S4-L8 PolarHBondContact O-N 2.82Å; S4-L8 VanDerWaalsContact O-N 3.14Å; L5-L8 PolarHBondContact O-N 3.27Å; E6-L8 VanDerWaalsContact C-N 3.3Å; E6-L8 PolarHBondContact O-N 2.88Å; L8-F10 VanDerWaalsContact C-N 3.32Å; L8-L11 PolarHBondContact O-N 2.95Å; L8-L12 WeakPolarHBondContact O-CB 3.41Å; L8-L12 WeakPolarHBondContact O-CG 3.23Å; L8-L12 PolarHBondContact O-N 3.25Å; L8-F127 HydrophobicContact CD1-CD2 4.41Å; L8-F127 HydrophobicContact CD1-CE2 4.26Å
9Q52.3Low57.1Low127 Ų12795.8 Ų95.859%0.59348%0.48SS*.Hα-helixtrans-63.4-40.6174.1-74.7-176.2-1.200111.6L5 E6 L12 S13L5-Q9 PolarHBondContact O-N 3.41Å; E6-Q9 PolarHBondContact O-N 3.22Å; Q9-L12 PolarHBondContact O-N 2.81Å; Q9-S13 PolarHBondContact O-N 2.94Å
10F58.9Low58Low114 Ų114100.7 Ų100.750%0.549%0.493SS..Hα-helixtrans-61.8-48.2175.9-173.5-93.9000111.6E6 L8 L12 S13 Y14E6-F10 VanDerWaalsContact O-CB 3.29Å; E6-F10 WeakPolarHBondContact O-CB 3.32Å; E6-F10 PolarHBondContact O-N 2.97Å; L8-F10 VanDerWaalsContact C-N 3.32Å; F10-L12 PolarHBondContact O-N 3.45Å; F10-S13 PolarHBondContact O-N 3.49Å; F10-S13 PolarHBondContact O-OG 3.49Å; F10-Y14 WeakPolarHBondContact O-CB 3.48Å; F10-Y14 PolarHBondContact O-N 2.98Å
11L57.4Low58.9Low46 Ų4699.3 Ų99.324%0.24149%0.487CS..Hα-helixtrans-61.2-42.2177.2-77.3166.7000112.4T7 L8 S13 Y14 L15T7-L11 HydrophobicContact CG2-CD1 4.42Å; T7-L11 WeakPolarHBondContact O-CB 3.48Å; T7-L11 WeakPolarHBondContact O-CD1 3.34Å; T7-L11 VanDerWaalsContact O-CG 3.27Å; T7-L11 WeakPolarHBondContact O-CG 3.48Å; T7-L11 PolarHBondContact O-N 3.37Å; L8-L11 PolarHBondContact O-N 2.95Å; L11-S13 PolarHBondContact O-N 2.92Å; L11-Y14 WeakPolarHBondContact O-CB 3.48Å; L11-Y14 PolarHBondContact O-N 3.12Å; L11-L15 VanDerWaalsContact O-CG 3.27Å; L11-L15 WeakPolarHBondContact O-CG 3.47Å; L11-L15 PolarHBondContact O-N 3.29Å
12L56.5Low61.1Low80 Ų8088.7 Ų88.742%0.41943%0.433SS..Hα-helixtrans-63.4-40.7175.8-76.7169.3000112.4L8 Q9 F10 Y14 R16L8-L12 WeakPolarHBondContact O-CB 3.41Å; L8-L12 WeakPolarHBondContact O-CG 3.23Å; L8-L12 PolarHBondContact O-N 3.25Å; Q9-L12 PolarHBondContact O-N 2.81Å; F10-L12 PolarHBondContact O-N 3.45Å; L12-Y14 VanDerWaalsContact C-N 3.31Å; L12-R16 WeakPolarHBondContact O-CB 3.39Å; L12-R16 VanDerWaalsContact O-CG 3.24Å; L12-R16 WeakPolarHBondContact O-CG 3.5Å; L12-R16 PolarHBondContact O-N 3.22Å; L12-R16 VanDerWaalsContact O-N 3.15Å
13S63.2Low63Low41 Ų4187 Ų8729%0.28741%0.405SS..Hα-helixtrans-64.4-38.7175.983.40000111.8Q9 F10 L11 R17Q9-S13 PolarHBondContact O-N 2.94Å; F10-S13 PolarHBondContact O-N 3.49Å; F10-S13 PolarHBondContact O-OG 3.49Å; L11-S13 PolarHBondContact O-N 2.92Å; S13-R17 WeakPolarHBondContact O-CG 3.45Å; S13-R17 PolarHBondContact O-N 3.38Å; S13-R17 VanDerWaalsContact O-N 3.07Å
14Y67.9Low64.5Low38 Ų3888 Ų8815%0.14941%0.405CS..Hα-helixtrans-66.3-50179.1174.7-104.1000111.9F10 L11 L12 R16 R17 Y18 A45 Y46 L49F10-Y14 WeakPolarHBondContact O-CB 3.48Å; F10-Y14 PolarHBondContact O-N 2.98Å; L11-Y14 WeakPolarHBondContact O-CB 3.48Å; L11-Y14 PolarHBondContact O-N 3.12Å; L12-Y14 VanDerWaalsContact C-N 3.31Å; Y14-R16 VanDerWaalsContact C-N 3.28Å; Y14-R16 PolarHBondContact O-N 3.02Å; Y14-R17 WeakPolarHBondContact O-CB 3.47Å; Y14-R17 PolarHBondContact O-N 3.36Å; Y14-Y18 PolarHBondContact O-N 2.89Å; Y14-A45 PolarHBondContact OH-O 3.13Å; Y14-Y46 HydrophobicContact CE1-CD2 4.32Å; Y14-Y46 VanDerWaalsContact OH-CA 3.29Å; Y14-Y46 WeakPolarHBondContact OH-CA 3.26Å; Y14-Y46 PolarHBondContact OH-N 3.32Å; Y14-L49 HydrophobicContact CD1-CB 4.4Å; Y14-L49 HydrophobicContact CD2-CD1 4.1Å; Y14-L49 HydrophobicContact CE1-CB 3.56Å; Y14-L49 HydrophobicContact CE1-CD1 4.2Å; Y14-L49 HydrophobicContact CE2-CB 4.24Å; Y14-L49 HydrophobicContact CE2-CD1 3.25Å; Y14-L49 HydrophobicContact CE2-CG 4.35Å; Y14-L49 VanDerWaalsContact CZ-CB 3.49Å; Y14-L49 WeakPolarHBondContact OH-CB 3.44Å; Y14-L49 VanDerWaalsContact OH-CD1 3.27Å; Y14-L49 WeakPolarHBondContact OH-CD1 3.31Å
15L69.2Low65.7Low61 Ų6186.9 Ų86.932%0.31939%0.392SS..Hα-helixtrans-61.8-36.4178.3-64.7171.4000112L11 R19 Y46 F97L11-L15 VanDerWaalsContact O-CG 3.27Å; L11-L15 WeakPolarHBondContact O-CG 3.47Å; L11-L15 PolarHBondContact O-N 3.29Å; L15-R19 WeakPolarHBondContact O-CB 3.18Å; L15-R19 PolarHBondContact O-N 2.96Å; L15-Y46 HydrophobicContact CD2-CE2 3.7Å; L15-F97 HydrophobicContact CD2-CE2 4.02Å
16R67.4Low67.3Low184 Ų18481.5 Ų81.569%0.69436%0.364SS*.Hα-helixtrans-64.9-40173.5-74.6174.8-176.1-179.32.2112.3L12 Y14 R20L12-R16 WeakPolarHBondContact O-CB 3.39Å; L12-R16 VanDerWaalsContact O-CG 3.24Å; L12-R16 WeakPolarHBondContact O-CG 3.5Å; L12-R16 PolarHBondContact O-N 3.22Å; L12-R16 VanDerWaalsContact O-N 3.15Å; Y14-R16 VanDerWaalsContact C-N 3.28Å; Y14-R16 PolarHBondContact O-N 3.02Å; R16-R20 PolarHBondContact O-N 2.9Å
17R72.4Confident68.7Low171 Ų17176.6 Ų76.665%0.64535%0.346SS*.Hα-helixtrans-68.1-46.4177-74.6174.9-178.8178.71.7111.5S13 Y14 R19 R20 L21S13-R17 WeakPolarHBondContact O-CG 3.45Å; S13-R17 PolarHBondContact O-N 3.38Å; S13-R17 VanDerWaalsContact O-N 3.07Å; Y14-R17 WeakPolarHBondContact O-CB 3.47Å; Y14-R17 PolarHBondContact O-N 3.36Å; R17-R19 PolarHBondContact O-N 3.06Å; R17-R20 PolarHBondContact O-N 2.96Å; R17-L21 WeakPolarHBondContact O-CG 3.45Å; R17-L21 PolarHBondContact O-N 3.1Å
18Y76.8Confident69.7Low3 Ų379.1 Ų79.11%0.01236%0.364CS..Hα-helixtrans-56.7-50.6175.4176.3-105.1000111.4Y14 R20 L21 A22 L42 Y46 F97Y14-Y18 PolarHBondContact O-N 2.89Å; Y18-R20 VanDerWaalsContact C-N 3.28Å; Y18-R20 PolarHBondContact O-N 3.21Å; Y18-L21 PolarHBondContact O-N 3.28Å; Y18-A22 HydrophobicContact CE1-CB 4.47Å; Y18-A22 HydrophobicContact CE2-CB 4.43Å; Y18-A22 WeakPolarHBondContact O-CB 3.33Å; Y18-A22 PolarHBondContact O-N 3.06Å; Y18-L42 HydrophobicContact CD2-CD1 3.94Å; Y18-L42 HydrophobicContact CD2-CD2 4.1Å; Y18-L42 HydrophobicContact CD2-CG 3.66Å; Y18-L42 HydrophobicContact CE2-CD1 4.48Å; Y18-L42 HydrophobicContact CE2-CD2 4.14Å; Y18-L42 HydrophobicContact CE2-CG 3.72Å; Y18-L42 WeakPolarHBondContact CE2-O 3.45Å; Y18-Y46 AromaticContact CD1-CD2 3.44Å; Y18-Y46 HydrophobicContact CD1-CD2 3.44Å; Y18-Y46 VanDerWaalsContact CD1-CD2 3.44Å; Y18-Y46 AromaticContact CD1-CE2 3.92Å; Y18-Y46 HydrophobicContact CD1-CE2 3.92Å; Y18-Y46 HydrophobicContact CD1-CG 4.05Å; Y18-Y46 AromaticContact CD2-CD2 3.98Å; Y18-Y46 HydrophobicContact CD2-CD2 3.98Å; Y18-Y46 HydrophobicContact CD2-CG 4.1Å; Y18-Y46 HydrophobicContact CE1-CD1 4.32Å; Y18-Y46 AromaticContact CE1-CD2 3.57Å; Y18-Y46 HydrophobicContact CE1-CD2 3.57Å; Y18-Y46 HydrophobicContact CE1-CE2 4.05Å; Y18-Y46 AromaticContact CE1-CG 3.74Å; Y18-Y46 HydrophobicContact CE1-CG 3.74Å; Y18-Y46 HydrophobicContact CE2-CD2 4.12Å; Y18-Y46 AromaticContact CE2-CG 3.82Å; Y18-Y46 HydrophobicContact CE2-CG 3.82Å; Y18-Y46 AromaticContact CG-CD2 3.65Å; Y18-Y46 HydrophobicContact CG-CD2 3.65Å; Y18-Y46 HydrophobicContact CG-CE2 4.48Å; Y18-Y46 HydrophobicContact CG-CG 4.21Å; Y18-Y46 AromaticContact CZ-CD2 3.91Å; Y18-Y46 AromaticContact CZ-CG 3.61Å; Y18-F97 HydrophobicContact CD1-CD1 4.22Å; Y18-F97 HydrophobicContact CD1-CD2 4.19Å; Y18-F97 HydrophobicContact CD1-CE1 4.14Å; Y18-F97 HydrophobicContact CD1-CE2 4.11Å; Y18-F97 HydrophobicContact CD1-CG 4.22Å; Y18-F97 HydrophobicContact CD1-CZ 4.07Å; Y18-F97 HydrophobicContact CE1-CB 4.2Å; Y18-F97 AromaticContact CE1-CD1 3.97Å; Y18-F97 HydrophobicContact CE1-CD1 3.97Å; Y18-F97 HydrophobicContact CE1-CD2 4.11Å; Y18-F97 HydrophobicContact CE1-CE1 4.36Å; Y18-F97 HydrophobicContact CE1-CE2 4.48Å; Y18-F97 AromaticContact CE1-CG 3.81Å; Y18-F97 HydrophobicContact CE1-CG 3.81Å
19R76.8Confident70.7Confident115 Ų11583.7 Ų83.743%0.43438%0.382SS..Hα-helixtrans-54.2-43.1177.4-177.2174.2178.3174.10.8112.5L15 R17 L23 F97 F98L15-R19 WeakPolarHBondContact O-CB 3.18Å; L15-R19 PolarHBondContact O-N 2.96Å; R17-R19 PolarHBondContact O-N 3.06Å; R19-L23 HydrophobicContact CG-CD1 4.3Å; R19-L23 WeakPolarHBondContact O-CG 3.31Å; R19-L23 PolarHBondContact O-N 3.44Å; R19-F97 HydrophobicContact CB-CE1 3.93Å; R19-F97 HydrophobicContact CB-CZ 4.12Å; R19-F97 HydrophobicContact CG-CE1 4.2Å; R19-F98 HydrophobicContact CG-CE1 3.98Å; R19-F98 HydrophobicContact CG-CZ 3.96Å
20R75.7Confident71.7Confident193 Ų19379.1 Ų79.173%0.72836%0.361SS*.Hα-helixtrans-68.3-44.9-179-172.1-176.9-67.2175.5-2.7112R16 R17 Y18 K24R16-R20 PolarHBondContact O-N 2.9Å; R17-R20 PolarHBondContact O-N 2.96Å; Y18-R20 VanDerWaalsContact C-N 3.28Å; Y18-R20 PolarHBondContact O-N 3.21Å; R20-K24 WeakPolarHBondContact O-CB 3.33Å; R20-K24 PolarHBondContact O-N 3.43Å
21L77.9Confident72.4Confident71 Ų7183 Ų8337%0.37238%0.378SS..Hα-helixtrans-72.7-39.7-178.3-68.4172.3000111.8R17 Y18 L23 K24 F25 L42R17-L21 WeakPolarHBondContact O-CG 3.45Å; R17-L21 PolarHBondContact O-N 3.1Å; Y18-L21 PolarHBondContact O-N 3.28Å; L21-L23 VanDerWaalsContact C-N 3.29Å; L21-L23 PolarHBondContact O-N 2.99Å; L21-K24 PolarHBondContact O-N 3.42Å; L21-F25 HydrophobicContact CD2-CD2 4.4Å; L21-F25 HydrophobicContact CD2-CE2 3.98Å; L21-F25 PolarHBondContact O-N 2.88Å; L21-L42 HydrophobicContact CB-CD1 4.04Å; L21-L42 HydrophobicContact CB-CD2 3.56Å; L21-L42 HydrophobicContact CB-CG 4.48Å; L21-L42 HydrophobicContact CD1-CD1 4.05Å
22A78.6Confident73.3Confident0 Ų087.1 Ų87.10%040%0.396CS..Hα-helixtrans-62.5-38.2179.600000111.5Y18 H26 F39 L42 F94Y18-A22 HydrophobicContact CE1-CB 4.47Å; Y18-A22 HydrophobicContact CE2-CB 4.43Å; Y18-A22 WeakPolarHBondContact O-CB 3.33Å; Y18-A22 PolarHBondContact O-N 3.06Å; A22-H26 WeakPolarHBondContact O-CB 3.36Å; A22-H26 PolarHBondContact O-N 3.16Å; A22-F39 HydrophobicContact CB-CE2 4.28Å; A22-L42 HydrophobicContact CB-CD2 3.88Å; A22-L42 VanDerWaalsContact N-CD2 3.25Å; A22-F94 HydrophobicContact CB-CD2 4.17Å; A22-F94 HydrophobicContact CB-CE2 4.06Å
23L78.1Confident73.9Confident43 Ų4388.8 Ų88.823%0.22542%0.421CS..Hα-helixtrans-74.3-27.9173.9-68.4172.8000113.2R19 L21 K29 F94 F98 P103 F104R19-L23 HydrophobicContact CG-CD1 4.3Å; R19-L23 WeakPolarHBondContact O-CG 3.31Å; R19-L23 PolarHBondContact O-N 3.44Å; L21-L23 VanDerWaalsContact C-N 3.29Å; L21-L23 PolarHBondContact O-N 2.99Å; L23-K29 VanDerWaalsContact O-CD 3.32Å; L23-K29 WeakPolarHBondContact O-CD 3.12Å; L23-F94 HydrophobicContact CD2-CZ 4.24Å; L23-F98 HydrophobicContact CD1-CZ 4.49Å; L23-F98 HydrophobicContact CD2-CE1 4.49Å; L23-F98 HydrophobicContact CD2-CZ 4.2Å; L23-F98 HydrophobicContact CG-CZ 4.12Å; L23-P103 HydrophobicContact CD2-CB 4.35Å; L23-F104 HydrophobicContact CD2-CE1 3.76Å; L23-F104 HydrophobicContact CD2-CZ 3.76Å
24K76.6Confident74.3Confident126 Ų12688.8 Ų88.855%0.54843%0.428SS..Hα-helixtrans-74.8-42.9-179.7-176.5178177.2-176.60111.9R20 L21R20-K24 WeakPolarHBondContact O-CB 3.33Å; R20-K24 PolarHBondContact O-N 3.43Å; L21-K24 PolarHBondContact O-N 3.42Å
25F76.1Confident74.8Confident34 Ų3487.1 Ų87.115%0.14942%0.422CS..SBendtrans-101.810.6-174.4-67-74000113.7L21 I38L21-F25 HydrophobicContact CD2-CD2 4.4Å; L21-F25 HydrophobicContact CD2-CE2 3.98Å; L21-F25 PolarHBondContact O-N 2.88Å; F25-I38 HydrophobicContact CB-CG2 4.39Å; F25-I38 HydrophobicContact CD1-CB 4.49Å; F25-I38 HydrophobicContact CD1-CD1 4.29Å; F25-I38 HydrophobicContact CD1-CG2 4.25Å; F25-I38 HydrophobicContact CD2-CG2 3.9Å; F25-I38 HydrophobicContact CE1-CD1 4.01Å; F25-I38 HydrophobicContact CE2-CG2 4.2Å; F25-I38 HydrophobicContact CG-CB 4.48Å; F25-I38 HydrophobicContact CG-CG2 3.93Å; F25-I38 HydrophobicContact CZ-CD1 4.46Å; F25-I38 HydrophobicContact CZ-CG2 4.49Å
26H80.4Confident75.3Confident13 Ų1394 Ų946%0.0644%0.444CS..  trans-61136179.2-164.6-93.4000111.5A22 C28 K29 N30 F39 F94 F104A22-H26 WeakPolarHBondContact O-CB 3.36Å; A22-H26 PolarHBondContact O-N 3.16Å; H26-C28 PolarHBondContact CE1-SG 3.23Å; H26-C28 WeakPolarHBondContact ND1-CB 3.39Å; H26-C28 PolarHBondContact ND1-N 3.03Å; H26-C28 VanDerWaalsContact ND1-N 3.2Å; H26-C28 PolarHBondContact O-N 3.42Å; H26-K29 PolarHBondContact O-N 3.26Å; H26-N30 PolarHBondContact O-N 3.31Å; H26-F39 AromaticContact CD2-CE2 3.83Å; H26-F39 AromaticContact CD2-CZ 3.6Å; H26-F94 AromaticContact CD2-CE2 3.8Å; H26-F94 AromaticContact CD2-CZ 3.76Å; H26-F94 AromaticContact NE2-CE1 3.91Å; H26-F104 HydrophobicContact CB-CE1 4.03Å; H26-F104 HydrophobicContact CB-CE2 4.15Å; H26-F104 HydrophobicContact CB-CZ 3.41Å; H26-F104 VanDerWaalsContact CB-CZ 3.41Å; H26-F104 AromaticContact CD2-CE2 3.55Å; H26-F104 AromaticContact CD2-CZ 3.59Å; H26-F104 AromaticContact CE1-CE2 3.39Å; H26-F104 WeakPolarHBondContact CE1-CE2 3.29Å; H26-F104 AromaticContact CG-CE2 3.41Å; H26-F104 VanDerWaalsContact CG-CE2 3.41Å; H26-F104 AromaticContact CG-CZ 3.19Å; H26-F104 AromaticContact ND1-CE2 3.3Å; H26-F104 VanDerWaalsContact ND1-CE2 3.3Å; H26-F104 WeakPolarHBondContact ND1-CE2 3.37Å; H26-F104 AromaticContact ND1-CZ 3.49Å; H26-F104 WeakPolarHBondContact ND1-CZ 3.17Å; H26-F104 AromaticContact NE2-CE2 3.52Å
27P77.8Confident75.9Confident53 Ų5390.3 Ų90.334%0.34443%0.434SS..THydrogen-bonded Turntrans-55.5-29.6-177.9-2733.9000114.6F39P27-F39 HydrophobicContact CG-CD1 4.23Å
28C71.8Confident76.4Confident96 Ų9685.6 Ų85.665%0.64942%0.421SS*.THydrogen-bonded Turntrans-74.3-24.5176.9-56.90000113.9H26H26-C28 PolarHBondContact CE1-SG 3.23Å; H26-C28 WeakPolarHBondContact ND1-CB 3.39Å; H26-C28 PolarHBondContact ND1-N 3.03Å; H26-C28 VanDerWaalsContact ND1-N 3.2Å; H26-C28 PolarHBondContact O-N 3.42Å
29K72.8Confident76.7Confident148 Ų14885.6 Ų85.664%0.64342%0.421SS*.THydrogen-bonded Turntrans-104.6-36.4-174.6-167177.9-175.4175.40112.8L23 H26 F104L23-K29 VanDerWaalsContact O-CD 3.32Å; L23-K29 WeakPolarHBondContact O-CD 3.12Å; H26-K29 PolarHBondContact O-N 3.26Å; K29-F104 HydrophobicContact CB-CE1 4.42Å
30N73.8Confident77.1Confident32 Ų3284 Ų8417%0.17142%0.415CS..  trans-121.1121.5177.2-166.8-6.8000110.4H26 E32 S35H26-N30 PolarHBondContact O-N 3.31Å; N30-E32 PolarHBondContact ND2-OE2 3.12Å; N30-E32 WeakPolarHBondContact OD1-CB 3.36Å; N30-E32 WeakPolarHBondContact OD1-CG 3.37Å; N30-E32 PolarHBondContact OD1-N 2.86Å; N30-E32 PolarHBondContact OD1-OE2 2.92Å; N30-S35 VanDerWaalsContact CG-OG 3.26Å; N30-S35 PolarHBondContact ND2-OG 2.8Å
31K73.4Confident77.5Confident195 Ų19579.8 Ų79.885%0.84840%0.404SS*.  trans-102.98.4179.4-64.8-177.9-179.5178.50113.2
32E77.2Confident77.8Confident132 Ų13277.7 Ų77.762%0.61739%0.393SS*.SBendtrans-61.7141.5176.9-73.7170.4164.600112.2N30 G34 S35N30-E32 PolarHBondContact ND2-OE2 3.12Å; N30-E32 WeakPolarHBondContact OD1-CB 3.36Å; N30-E32 WeakPolarHBondContact OD1-CG 3.37Å; N30-E32 PolarHBondContact OD1-N 2.86Å; N30-E32 PolarHBondContact OD1-OE2 2.92Å; E32-G34 PolarHBondContact O-N 2.78Å; E32-G34 VanDerWaalsContact O-N 3.13Å; E32-S35 PolarHBondContact O-N 2.82Å; E32-S35 VanDerWaalsContact O-N 3.12Å
33A67.5Low78.1Confident115 Ų11577.7 Ų77.795%0.9539%0.393SS*.THydrogen-bonded Turntrans-64.2113.3176.600000109.4
34G72.8Confident78.4Confident41 Ų4177.3 Ų77.342%0.42339%0.39SS..THydrogen-bonded Turntrans112.8-19.5-176.100000115E32 R36 E37 I38E32-G34 PolarHBondContact O-N 2.78Å; E32-G34 VanDerWaalsContact O-N 3.13Å; G34-R36 VanDerWaalsContact C-N 3.26Å; G34-R36 PolarHBondContact O-N 2.87Å; G34-E37 WeakPolarHBondContact O-CB 3.33Å; G34-E37 PolarHBondContact O-N 3.11Å; G34-I38 WeakPolarHBondContact O-CG1 3.48Å; G34-I38 PolarHBondContact O-N 2.81Å; G34-I38 VanDerWaalsContact O-N 3.14Å
35S77.7Confident78.8Confident4 Ų473.2 Ų73.23%0.02838%0.38CS..Hα-helixtrans-62.3-34.7177.2-72.50000112.9N30 E32 I38 F39N30-S35 VanDerWaalsContact CG-OG 3.26Å; N30-S35 PolarHBondContact ND2-OG 2.8Å; E32-S35 PolarHBondContact O-N 2.82Å; E32-S35 VanDerWaalsContact O-N 3.12Å; S35-I38 PolarHBondContact O-N 2.83Å; S35-F39 WeakPolarHBondContact O-CB 3.33Å; S35-F39 PolarHBondContact O-N 2.92Å
36R78.8Confident79.1Confident205 Ų20573.2 Ų73.277%0.77438%0.379SS*.Hα-helixtrans-65.1-38.2177-173.2176.5-178.4170.90.6112.6G34 F39 Y40G34-R36 VanDerWaalsContact C-N 3.26Å; G34-R36 PolarHBondContact O-N 2.87Å; R36-F39 PolarHBondContact O-N 3.46Å; R36-Y40 PolarHBondContact O-N 3.4Å
37E82Confident79.3Confident106 Ų10673.6 Ų73.650%0.49538%0.382SS..Hα-helixtrans-68.7-44.3178.2-174.858.3-147.300110.5G34 F39 Y40 Q41G34-E37 WeakPolarHBondContact O-CB 3.33Å; G34-E37 PolarHBondContact O-N 3.11Å; E37-F39 VanDerWaalsContact C-N 3.3Å; E37-F39 PolarHBondContact O-N 2.84Å; E37-Y40 WeakPolarHBondContact O-CB 3.22Å; E37-Y40 PolarHBondContact O-N 3.47Å; E37-Q41 WeakPolarHBondContact O-CG 3.43Å; E37-Q41 PolarHBondContact O-N 3.16Å; E37-Q41 PolarHBondContact OE1-NE2 2.89Å
38I81.4Confident79.5Confident72 Ų7271.6 Ų71.637%0.36937%0.369SS..Hα-helixtrans-61.7-40.3175.3-63.8167.9000110.8F25 G34 S35 Q41 L42F25-I38 HydrophobicContact CB-CG2 4.39Å; F25-I38 HydrophobicContact CD1-CB 4.49Å; F25-I38 HydrophobicContact CD1-CD1 4.29Å; F25-I38 HydrophobicContact CD1-CG2 4.25Å; F25-I38 HydrophobicContact CD2-CG2 3.9Å; F25-I38 HydrophobicContact CE1-CD1 4.01Å; F25-I38 HydrophobicContact CE2-CG2 4.2Å; F25-I38 HydrophobicContact CG-CB 4.48Å; F25-I38 HydrophobicContact CG-CG2 3.93Å; F25-I38 HydrophobicContact CZ-CD1 4.46Å; F25-I38 HydrophobicContact CZ-CG2 4.49Å; G34-I38 WeakPolarHBondContact O-CG1 3.48Å; G34-I38 PolarHBondContact O-N 2.81Å; G34-I38 VanDerWaalsContact O-N 3.14Å; S35-I38 PolarHBondContact O-N 2.83Å; I38-Q41 PolarHBondContact O-N 3.22Å; I38-L42 WeakPolarHBondContact O-CB 3.39Å; I38-L42 PolarHBondContact O-N 2.94Å
39F84.4Confident80Confident4 Ų469 Ų692%0.01835%0.348CS..Hα-helixtrans-64.8-39.9176.6-175.1-110.9000112.3A22 H26 P27 S35 R36 E37 L42 S43 P90 F94A22-F39 HydrophobicContact CB-CE2 4.28Å; H26-F39 AromaticContact CD2-CE2 3.83Å; H26-F39 AromaticContact CD2-CZ 3.6Å; P27-F39 HydrophobicContact CG-CD1 4.23Å; S35-F39 WeakPolarHBondContact O-CB 3.33Å; S35-F39 PolarHBondContact O-N 2.92Å; R36-F39 PolarHBondContact O-N 3.46Å; E37-F39 VanDerWaalsContact C-N 3.3Å; E37-F39 PolarHBondContact O-N 2.84Å; F39-L42 PolarHBondContact O-N 2.77Å; F39-S43 WeakPolarHBondContact O-CB 3.47Å; F39-S43 PolarHBondContact O-N 2.92Å; F39-S43 PolarHBondContact O-OG 3.26Å; F39-P90 HydrophobicContact CD1-CB 3.71Å; F39-P90 HydrophobicContact CE1-CB 3.51Å; F39-P90 HydrophobicContact CZ-CB 4.47Å; F39-F94 AromaticContact CE2-CD2 3.88Å; F39-F94 HydrophobicContact CE2-CD2 3.88Å; F39-F94 HydrophobicContact CE2-CE2 4.32Å; F39-F94 HydrophobicContact CZ-CB 4.1Å; F39-F94 AromaticContact CZ-CD2 3.78Å; F39-F94 HydrophobicContact CZ-CD2 3.78Å; F39-F94 HydrophobicContact CZ-CE2 4.47Å; F39-F94 HydrophobicContact CZ-CG 4.1Å
40Y85.3Confident80.2Confident80 Ų8064.5 Ų64.531%0.31434%0.335SS..Hα-helixtrans-60.3-53.5174.3-178.2-87.2000111.2R36 E37 L42 S43 E44 Y86 P90R36-Y40 PolarHBondContact O-N 3.4Å; E37-Y40 WeakPolarHBondContact O-CB 3.22Å; E37-Y40 PolarHBondContact O-N 3.47Å; Y40-L42 VanDerWaalsContact C-N 3.27Å; Y40-L42 PolarHBondContact O-N 2.83Å; Y40-S43 PolarHBondContact O-N 3.27Å; Y40-S43 VanDerWaalsContact O-N 3.1Å; Y40-S43 PolarHBondContact O-OG 2.85Å; Y40-E44 PolarHBondContact O-N 2.86Å; Y40-Y86 HydrophobicContact CE2-CD1 4.17Å; Y40-Y86 HydrophobicContact CE2-CE1 4.04Å; Y40-Y86 AromaticContact CZ-CD1 3.91Å; Y40-P90 HydrophobicContact CD2-CG 3.52Å; Y40-P90 HydrophobicContact CE2-CG 4.31Å; Y40-P90 HydrophobicContact CG-CG 4.24Å
41Q83.6Confident80.4Confident106 Ų10666.5 Ų66.550%0.49535%0.346SS..Hα-helixtrans-59.7-38.3178.8-67.9175.57.500112.3E37 I38 E44 A45E37-Q41 WeakPolarHBondContact O-CG 3.43Å; E37-Q41 PolarHBondContact O-N 3.16Å; E37-Q41 PolarHBondContact OE1-NE2 2.89Å; I38-Q41 PolarHBondContact O-N 3.22Å; Q41-E44 PolarHBondContact O-N 2.82Å; Q41-A45 WeakPolarHBondContact O-CB 3.44Å; Q41-A45 PolarHBondContact O-N 2.78Å
42L83.9Confident80.4Confident27 Ų2760.8 Ų60.814%0.14134%0.335CS..Hα-helixtrans-64.9-40.9177.2-173.371.4000111.9Y18 L21 A22 I38 F39 Y40 A45 Y46Y18-L42 HydrophobicContact CD2-CD1 3.94Å; Y18-L42 HydrophobicContact CD2-CD2 4.1Å; Y18-L42 HydrophobicContact CD2-CG 3.66Å; Y18-L42 HydrophobicContact CE2-CD1 4.48Å; Y18-L42 HydrophobicContact CE2-CD2 4.14Å; Y18-L42 HydrophobicContact CE2-CG 3.72Å; Y18-L42 WeakPolarHBondContact CE2-O 3.45Å; L21-L42 HydrophobicContact CB-CD1 4.04Å; L21-L42 HydrophobicContact CB-CD2 3.56Å; L21-L42 HydrophobicContact CB-CG 4.48Å; L21-L42 HydrophobicContact CD1-CD1 4.05Å; A22-L42 HydrophobicContact CB-CD2 3.88Å; A22-L42 VanDerWaalsContact N-CD2 3.25Å; I38-L42 WeakPolarHBondContact O-CB 3.39Å; I38-L42 PolarHBondContact O-N 2.94Å; F39-L42 PolarHBondContact O-N 2.77Å; Y40-L42 VanDerWaalsContact C-N 3.27Å; Y40-L42 PolarHBondContact O-N 2.83Å; L42-A45 PolarHBondContact O-N 2.88Å; L42-Y46 PolarHBondContact O-N 3.34Å
43S84.7Confident80.3Confident0 Ų064.4 Ų64.40%034%0.343CS..Hα-helixtrans-69-37.5177.865.80000112.8F39 Y40 Y46 D47 Y86 P90F39-S43 WeakPolarHBondContact O-CB 3.47Å; F39-S43 PolarHBondContact O-N 2.92Å; F39-S43 PolarHBondContact O-OG 3.26Å; Y40-S43 PolarHBondContact O-N 3.27Å; Y40-S43 VanDerWaalsContact O-N 3.1Å; Y40-S43 PolarHBondContact O-OG 2.85Å; S43-Y46 PolarHBondContact O-N 3.14Å; S43-D47 PolarHBondContact O-N 3.08Å; S43-D47 VanDerWaalsContact O-N 3.12Å; S43-Y86 VanDerWaalsContact CB-OH 3.32Å; S43-Y86 WeakPolarHBondContact CB-OH 3.47Å; S43-Y86 PolarHBondContact OG-OH 2.96Å; S43-P90 WeakPolarHBondContact OG-CA 3.36Å; S43-P90 VanDerWaalsContact OG-CB 3.32Å; S43-P90 WeakPolarHBondContact OG-CB 3.4Å
44E84.4Confident80.9Confident35 Ų3561.3 Ų61.316%0.16431%0.308CS..Hα-helixtrans-63-47.7172.4-176.2175.4-177.300110.8Y40 Q41 Y46 D47 V48 K67 Y86Y40-E44 PolarHBondContact O-N 2.86Å; Q41-E44 PolarHBondContact O-N 2.82Å; E44-Y46 VanDerWaalsContact C-N 3.27Å; E44-Y46 PolarHBondContact O-N 3.16Å; E44-D47 PolarHBondContact O-N 2.66Å; E44-D47 VanDerWaalsContact O-N 3.15Å; E44-V48 WeakPolarHBondContact O-CG2 3.46Å; E44-V48 PolarHBondContact O-N 3.15Å; E44-V48 VanDerWaalsContact O-N 3.13Å; E44-K67 VanDerWaalsContact OE1-CE 3.23Å; E44-K67 WeakPolarHBondContact OE1-CE 3.4Å; E44-K67 IonicContact OE1-NZ 3.06Å; E44-K67 PolarHBondContact OE1-NZ 3.2Å; E44-Y86 HydrophobicContact CB-CD1 4.29Å; E44-Y86 HydrophobicContact CB-CD2 4.34Å; E44-Y86 HydrophobicContact CB-CG 4.22Å; E44-Y86 HydrophobicContact CG-CD2 4.39Å; E44-Y86 HydrophobicContact CG-CG 4.12Å
45A85.2Confident81.3Confident39 Ų3961.1 Ų61.132%0.32230%0.295SS..Hα-helixtrans-59.1-38.1177.400000112.5Y14 Q41 L42 V48 L49Y14-A45 PolarHBondContact OH-O 3.13Å; Q41-A45 WeakPolarHBondContact O-CB 3.44Å; Q41-A45 PolarHBondContact O-N 2.78Å; L42-A45 PolarHBondContact O-N 2.88Å; A45-V48 PolarHBondContact O-N 2.73Å; A45-L49 VanDerWaalsContact O-CB 3.29Å; A45-L49 WeakPolarHBondContact O-CB 3.44Å; A45-L49 VanDerWaalsContact O-CG 3.28Å; A45-L49 WeakPolarHBondContact O-CG 3.4Å; A45-L49 PolarHBondContact O-N 2.82Å
46Y82.6Confident81.3Confident34 Ų3462.5 Ų62.513%0.13331%0.307CS..Hα-helixtrans-65.1-43.8175177.7-89.7000113.1Y14 L15 Y18 L42 S43 E44 V48 L49 S50 T93 F97Y14-Y46 HydrophobicContact CE1-CD2 4.32Å; Y14-Y46 VanDerWaalsContact OH-CA 3.29Å; Y14-Y46 WeakPolarHBondContact OH-CA 3.26Å; Y14-Y46 PolarHBondContact OH-N 3.32Å; L15-Y46 HydrophobicContact CD2-CE2 3.7Å; Y18-Y46 AromaticContact CD1-CD2 3.44Å; Y18-Y46 HydrophobicContact CD1-CD2 3.44Å; Y18-Y46 VanDerWaalsContact CD1-CD2 3.44Å; Y18-Y46 AromaticContact CD1-CE2 3.92Å; Y18-Y46 HydrophobicContact CD1-CE2 3.92Å; Y18-Y46 HydrophobicContact CD1-CG 4.05Å; Y18-Y46 AromaticContact CD2-CD2 3.98Å; Y18-Y46 HydrophobicContact CD2-CD2 3.98Å; Y18-Y46 HydrophobicContact CD2-CG 4.1Å; Y18-Y46 HydrophobicContact CE1-CD1 4.32Å; Y18-Y46 AromaticContact CE1-CD2 3.57Å; Y18-Y46 HydrophobicContact CE1-CD2 3.57Å; Y18-Y46 HydrophobicContact CE1-CE2 4.05Å; Y18-Y46 AromaticContact CE1-CG 3.74Å; Y18-Y46 HydrophobicContact CE1-CG 3.74Å; Y18-Y46 HydrophobicContact CE2-CD2 4.12Å; Y18-Y46 AromaticContact CE2-CG 3.82Å; Y18-Y46 HydrophobicContact CE2-CG 3.82Å; Y18-Y46 AromaticContact CG-CD2 3.65Å; Y18-Y46 HydrophobicContact CG-CD2 3.65Å; Y18-Y46 HydrophobicContact CG-CE2 4.48Å; Y18-Y46 HydrophobicContact CG-CG 4.21Å; Y18-Y46 AromaticContact CZ-CD2 3.91Å; Y18-Y46 AromaticContact CZ-CG 3.61Å; L42-Y46 PolarHBondContact O-N 3.34Å; S43-Y46 PolarHBondContact O-N 3.14Å; E44-Y46 VanDerWaalsContact C-N 3.27Å; E44-Y46 PolarHBondContact O-N 3.16Å; Y46-V48 VanDerWaalsContact C-N 3.27Å; Y46-V48 PolarHBondContact O-N 3.1Å; Y46-L49 PolarHBondContact O-N 2.92Å; Y46-S50 WeakPolarHBondContact O-CB 3.36Å; Y46-S50 PolarHBondContact O-N 3.19Å; Y46-S50 PolarHBondContact O-OG 2.71Å; Y46-T93 HydrophobicContact CD1-CG2 3.35Å; Y46-T93 HydrophobicContact CE1-CG2 4.02Å; Y46-T93 HydrophobicContact CG-CG2 4.26Å; Y46-F97 HydrophobicContact CE1-CD2 4.42Å; Y46-F97 AromaticContact CE2-CD2 3.59Å; Y46-F97 HydrophobicContact CE2-CD2 3.59Å; Y46-F97 AromaticContact CE2-CE2 3.87Å; Y46-F97 HydrophobicContact CE2-CE2 3.87Å; Y46-F97 AromaticContact CZ-CD2 3.53Å; Y46-F97 WeakPolarHBondContact OH-CD2 3.28Å
47D83.6Confident81.2Confident22 Ų2253.3 Ų53.312%0.11827%0.274CS..Hα-helixtrans-63.4-34.6179.3-171.979.2000112.1S43 E44 S50 K54 Y84 Y86 H87S43-D47 PolarHBondContact O-N 3.08Å; S43-D47 VanDerWaalsContact O-N 3.12Å; E44-D47 PolarHBondContact O-N 2.66Å; E44-D47 VanDerWaalsContact O-N 3.15Å; D47-S50 PolarHBondContact O-OG 3.14Å; D47-S50 VanDerWaalsContact O-OG 3.11Å; D47-K54 PolarHBondContact O-NZ 3.22Å; D47-K54 IonicContact OD1-NZ 2.62Å; D47-K54 IonicContact OD2-NZ 3.02Å; D47-K54 PolarHBondContact OD2-NZ 3.36Å; D47-Y84 WeakPolarHBondContact CB-OH 3.44Å; D47-Y84 WeakPolarHBondContact OD2-CE2 3.49Å; D47-Y84 PolarHBondContact OD2-OH 3.41Å; D47-Y86 HydrophobicContact CB-CD2 4Å; D47-Y86 HydrophobicContact CB-CE2 3.84Å; D47-H87 IonicContact OD1-CE1 3.9Å
48V83.1Confident81Confident11 Ų1153.3 Ų53.37%0.06727%0.27CS..Hα-helixtrans-72.5-43.9174.3178.80000112.3E44 A45 Y46 K54 K55 Y58 L66 Y84E44-V48 WeakPolarHBondContact O-CG2 3.46Å; E44-V48 PolarHBondContact O-N 3.15Å; E44-V48 VanDerWaalsContact O-N 3.13Å; A45-V48 PolarHBondContact O-N 2.73Å; Y46-V48 VanDerWaalsContact C-N 3.27Å; Y46-V48 PolarHBondContact O-N 3.1Å; V48-K54 HydrophobicContact CG1-CB 4.22Å; V48-K54 WeakPolarHBondContact O-CB 3.33Å; V48-K55 PolarHBondContact O-N 2.85Å; V48-Y58 HydrophobicContact CG1-CG 4.44Å; V48-L66 HydrophobicContact CB-CD2 4.28Å; V48-L66 HydrophobicContact CG1-CD2 3.64Å; V48-L66 HydrophobicContact CG2-CD2 3.57Å; V48-Y84 HydrophobicContact CG2-CD1 4.31Å; V48-Y84 HydrophobicContact CG2-CE1 3.55Å; V48-Y84 HydrophobicContact CG2-CE2 4.41Å
49L81.2Confident80.8Confident41 Ų4154.9 Ų54.922%0.21528%0.279CS..Hα-helixtrans-84.8-16.7-173.1-67.6174.5000114.1Y14 A45 Y46 K55Y14-L49 HydrophobicContact CD1-CB 4.4Å; Y14-L49 HydrophobicContact CD2-CD1 4.1Å; Y14-L49 HydrophobicContact CE1-CB 3.56Å; Y14-L49 HydrophobicContact CE1-CD1 4.2Å; Y14-L49 HydrophobicContact CE2-CB 4.24Å; Y14-L49 HydrophobicContact CE2-CD1 3.25Å; Y14-L49 HydrophobicContact CE2-CG 4.35Å; Y14-L49 VanDerWaalsContact CZ-CB 3.49Å; Y14-L49 WeakPolarHBondContact OH-CB 3.44Å; Y14-L49 VanDerWaalsContact OH-CD1 3.27Å; Y14-L49 WeakPolarHBondContact OH-CD1 3.31Å; A45-L49 VanDerWaalsContact O-CB 3.29Å; A45-L49 WeakPolarHBondContact O-CB 3.44Å; A45-L49 VanDerWaalsContact O-CG 3.28Å; A45-L49 WeakPolarHBondContact O-CG 3.4Å; A45-L49 PolarHBondContact O-N 2.82Å; Y46-L49 PolarHBondContact O-N 2.92Å; L49-K55 HydrophobicContact CD2-CB 4.28Å; L49-K55 HydrophobicContact CD2-CD 4.15Å; L49-K55 HydrophobicContact CD2-CG 3.87Å
50S77.8Confident80.4Confident53 Ų5361.8 Ų61.837%0.37131%0.309SS..Hα-helixtrans-69.5-36.8173.661.20000112.1Y46 D47Y46-S50 WeakPolarHBondContact O-CB 3.36Å; Y46-S50 PolarHBondContact O-N 3.19Å; Y46-S50 PolarHBondContact O-OG 2.71Å; D47-S50 PolarHBondContact O-OG 3.14Å; D47-S50 VanDerWaalsContact O-OG 3.11Å
51D77.3Confident79.9Confident75 Ų7563.4 Ų63.440%0.40132%0.318SS..SBendtrans-91.1116.2177.9-77.9-42.7000111.6R53 K54 K55D51-R53 PolarHBondContact O-N 2.79Å; D51-K54 HydrophobicContact CB-CB 4.03Å; D51-K54 HydrophobicContact CB-CD 3.9Å; D51-K54 HydrophobicContact CB-CG 3.88Å; D51-K54 PolarHBondContact O-N 2.83Å; D51-K54 VanDerWaalsContact O-N 3.09Å; D51-K54 WeakPolarHBondContact OD2-CE 3.41Å; D51-K54 IonicContact OD2-NZ 2.76Å; D51-K54 PolarHBondContact OD2-NZ 2.94Å; D51-K55 PolarHBondContact O-N 3.05Å
52A74.9Confident79.6Confident75 Ų7559.7 Ų59.762%0.6231%0.309SS*.Hα-helixtrans-55.8-30.5-179.800000113.6A56A52-A56 VanDerWaalsContact O-CB 3.29Å; A52-A56 WeakPolarHBondContact O-CB 3.27Å; A52-A56 PolarHBondContact O-N 3.33Å
53R75.1Confident79.1Confident208 Ų20863.6 Ų63.679%0.78533%0.326SS*.Hα-helixtrans-73.7-43.7178-62-178.6-174.6-179.91.8112.4D51 A56 T57D51-R53 PolarHBondContact O-N 2.79Å; R53-A56 PolarHBondContact O-N 3.5Å; R53-T57 PolarHBondContact O-N 2.91Å; R53-T57 VanDerWaalsContact O-N 3.09Å; R53-T57 PolarHBondContact O-OG1 2.96Å
54K78.9Confident78.5Confident49 Ų4971.8 Ų71.821%0.21336%0.364CS..Hα-helixtrans-66.4-44.6177.6-67.1-178.6-170.5153.50110.2D47 V48 D51 A56 T57 Y58 L66 Y84D47-K54 PolarHBondContact O-NZ 3.22Å; D47-K54 IonicContact OD1-NZ 2.62Å; D47-K54 IonicContact OD2-NZ 3.02Å; D47-K54 PolarHBondContact OD2-NZ 3.36Å; V48-K54 HydrophobicContact CG1-CB 4.22Å; V48-K54 WeakPolarHBondContact O-CB 3.33Å; D51-K54 HydrophobicContact CB-CB 4.03Å; D51-K54 HydrophobicContact CB-CD 3.9Å; D51-K54 HydrophobicContact CB-CG 3.88Å; D51-K54 PolarHBondContact O-N 2.83Å; D51-K54 VanDerWaalsContact O-N 3.09Å; D51-K54 WeakPolarHBondContact OD2-CE 3.41Å; D51-K54 IonicContact OD2-NZ 2.76Å; D51-K54 PolarHBondContact OD2-NZ 2.94Å; K54-A56 PolarHBondContact O-N 2.89Å; K54-T57 WeakPolarHBondContact O-CB 3.35Å; K54-T57 PolarHBondContact O-N 2.49Å; K54-T57 VanDerWaalsContact O-N 3.15Å; K54-Y58 PolarHBondContact O-N 3.31Å; K54-L66 HydrophobicContact CB-CD1 4.29Å; K54-Y84 HydrophobicContact CD-CD2 3.95Å; K54-Y84 HydrophobicContact CD-CE2 3.84Å
55K81.9Confident77.8Confident37 Ų3770.8 Ų70.816%0.16136%0.363CS..Hα-helixtrans-54.9-51.4171.8-179.7-179.4176.3-169.50112.1V48 L49 D51 T57 Y58 D59V48-K55 PolarHBondContact O-N 2.85Å; L49-K55 HydrophobicContact CD2-CB 4.28Å; L49-K55 HydrophobicContact CD2-CD 4.15Å; L49-K55 HydrophobicContact CD2-CG 3.87Å; D51-K55 PolarHBondContact O-N 3.05Å; K55-T57 PolarHBondContact O-N 2.94Å; K55-Y58 PolarHBondContact O-N 2.83Å; K55-Y58 VanDerWaalsContact O-N 3.16Å; K55-D59 WeakPolarHBondContact CE-OD2 3.17Å; K55-D59 WeakPolarHBondContact CG-OD2 3.42Å; K55-D59 WeakPolarHBondContact O-CB 3.06Å; K55-D59 VanDerWaalsContact O-CG 3.24Å; K55-D59 PolarHBondContact O-N 2.94Å
56A77.8Confident77.2Confident34 Ų3469.6 Ų69.628%0.28135%0.351SS..Hα-helixtrans-62.5-27.8-179.700000113.3A52 R53 K54 K60A52-A56 VanDerWaalsContact O-CB 3.29Å; A52-A56 WeakPolarHBondContact O-CB 3.27Å; A52-A56 PolarHBondContact O-N 3.33Å; R53-A56 PolarHBondContact O-N 3.5Å; K54-A56 PolarHBondContact O-N 2.89Å; A56-K60 WeakPolarHBondContact O-CG 3.38Å
57T75.6Confident76.7Confident11 Ų1171.5 Ų71.57%0.06736%0.361CS..Hα-helixtrans-74.3-46174.5-500000110.9R53 K54 K55 K60 F61 L66 W80R53-T57 PolarHBondContact O-N 2.91Å; R53-T57 VanDerWaalsContact O-N 3.09Å; R53-T57 PolarHBondContact O-OG1 2.96Å; K54-T57 WeakPolarHBondContact O-CB 3.35Å; K54-T57 PolarHBondContact O-N 2.49Å; K54-T57 VanDerWaalsContact O-N 3.15Å; K55-T57 PolarHBondContact O-N 2.94Å; T57-K60 PolarHBondContact O-N 3.13Å; T57-F61 HydrophobicContact CG2-CD2 4.24Å; T57-F61 PolarHBondContact O-N 3.49Å; T57-L66 HydrophobicContact CG2-CD1 4.34Å; T57-W80 WeakPolarHBondContact OG1-CZ2 3.4Å; T57-W80 PolarHBondContact OG1-NE1 2.98Å
58Y77.5Confident75.7Confident106 Ų10673.2 Ų73.242%0.41638%0.384SS..Hα-helixtrans-61.4-44176.4-177-91.8000112V48 K54 K55 K60 G62 E63 L66V48-Y58 HydrophobicContact CG1-CG 4.44Å; K54-Y58 PolarHBondContact O-N 3.31Å; K55-Y58 PolarHBondContact O-N 2.83Å; K55-Y58 VanDerWaalsContact O-N 3.16Å; Y58-K60 PolarHBondContact O-N 2.72Å; Y58-G62 VanDerWaalsContact O-CA 3.24Å; Y58-G62 WeakPolarHBondContact O-CA 3.37Å; Y58-G62 PolarHBondContact O-N 2.73Å; Y58-E63 HydrophobicContact CE2-CB 4.28Å; Y58-L66 HydrophobicContact CD2-CD2 4.43Å
59D79.1Confident74.7Confident105 Ų10573.7 Ų73.756%0.56139%0.39SS*.Hα-helixtrans-62.8-24.6178.8-69.7-13.9000112.2K55K55-D59 WeakPolarHBondContact CE-OD2 3.17Å; K55-D59 WeakPolarHBondContact CG-OD2 3.42Å; K55-D59 WeakPolarHBondContact O-CB 3.06Å; K55-D59 VanDerWaalsContact O-CG 3.24Å; K55-D59 PolarHBondContact O-N 2.94Å
60K75.9Confident73.5Confident150 Ų15073 Ų7365%0.65239%0.387SS*.Hα-helixtrans-98.4-38.3-178.5-73.5-178179.5-173.60114.5A56 T57 Y58A56-K60 WeakPolarHBondContact O-CG 3.38Å; T57-K60 PolarHBondContact O-N 3.13Å; Y58-K60 PolarHBondContact O-N 2.72Å
61F73.9Confident72.3Confident113 Ų11375.3 Ų75.350%0.49640%0.4SS..Hα-helixtrans-125.22.8-169.3-58.8-77.3000113.5T57 G65 I70T57-F61 HydrophobicContact CG2-CD2 4.24Å; T57-F61 PolarHBondContact O-N 3.49Å; F61-G65 PolarHBondContact O-N 3.36Å; F61-I70 HydrophobicContact CD2-CD1 4.39Å; F61-I70 HydrophobicContact CE2-CD1 4.07Å
62G77.4Confident71.1Confident29 Ų2977.8 Ų77.830%0.29942%0.418SS..Hα-helixtrans65.3-162.3-178.800000113.7Y58 E64Y58-G62 VanDerWaalsContact O-CA 3.24Å; Y58-G62 WeakPolarHBondContact O-CA 3.37Å; Y58-G62 PolarHBondContact O-N 2.73Å; G62-E64 VanDerWaalsContact C-N 3.33Å; G62-E64 PolarHBondContact O-N 2.71Å
63E73.6Confident70.1Confident108 Ų10883.2 Ų83.251%0.50543%0.43SS..Hα-helixtrans-65.9-34.6-179.8-171.4177.7173.800112.5Y58 L66 K67Y58-E63 HydrophobicContact CE2-CB 4.28Å; E63-L66 PolarHBondContact O-N 2.78Å; E63-K67 HydrophobicContact CG-CD 3.99Å; E63-K67 HydrophobicContact CG-CG 4.49Å; E63-K67 PolarHBondContact O-N 3.25Å; E63-K67 WeakPolarHBondContact OE1-CE 3.2Å; E63-K67 IonicContact OE1-NZ 3.91Å; E63-K67 PolarHBondContact OE1-NZ 3.36Å
64E71.6Confident69Low172 Ų17278.2 Ų78.280%0.80443%0.426SS*.Hα-helixtrans-66.2-40.4-178.7-62.7-168.2163.900112.4G62 L66 G68G62-E64 VanDerWaalsContact C-N 3.33Å; G62-E64 PolarHBondContact O-N 2.71Å; E64-L66 VanDerWaalsContact C-N 3.27Å; E64-L66 PolarHBondContact O-N 3.33Å; E64-G68 VanDerWaalsContact O-CA 3.31Å; E64-G68 WeakPolarHBondContact O-CA 3.04Å; E64-G68 PolarHBondContact O-N 3.42Å
65G70.1Confident67.4Low14 Ų1479.5 Ų79.514%0.14444%0.438CS..Hα-helixtrans-69.1-26.4175.600000113.6F61F61-G65 PolarHBondContact O-N 3.36Å
66L72.3Confident65.8Low14 Ų1484.3 Ų84.37%0.07348%0.476CS..Hα-helixtrans-78.3-46.7178.1-161.971.4000111.1V48 K54 T57 Y58 E63 E64 Y84V48-L66 HydrophobicContact CB-CD2 4.28Å; V48-L66 HydrophobicContact CG1-CD2 3.64Å; V48-L66 HydrophobicContact CG2-CD2 3.57Å; K54-L66 HydrophobicContact CB-CD1 4.29Å; T57-L66 HydrophobicContact CG2-CD1 4.34Å; Y58-L66 HydrophobicContact CD2-CD2 4.43Å; E63-L66 PolarHBondContact O-N 2.78Å; E64-L66 VanDerWaalsContact C-N 3.27Å; E64-L66 PolarHBondContact O-N 3.33Å; L66-Y84 HydrophobicContact CD1-CG 4.38Å; L66-Y84 HydrophobicContact CD2-CD1 3.61Å; L66-Y84 HydrophobicContact CD2-CE1 4.09Å; L66-Y84 HydrophobicContact CD2-CG 4.08Å; L66-Y84 HydrophobicContact CG-CD1 3.8Å; L66-Y84 HydrophobicContact CG-CG 3.87Å; L66-Y84 WeakPolarHBondContact O-CB 3.45Å; L66-Y84 PolarHBondContact O-N 3.14Å
67K72.9Confident64.2Low75 Ų7586.6 Ų86.633%0.32649%0.49SS..Hα-helixtrans-87.6-25.5-177-69.3-177.6177.5173.60114.4E44 E63 K83E44-K67 VanDerWaalsContact OE1-CE 3.23Å; E44-K67 WeakPolarHBondContact OE1-CE 3.4Å; E44-K67 IonicContact OE1-NZ 3.06Å; E44-K67 PolarHBondContact OE1-NZ 3.2Å; E63-K67 HydrophobicContact CG-CD 3.99Å; E63-K67 HydrophobicContact CG-CG 4.49Å; E63-K67 PolarHBondContact O-N 3.25Å; E63-K67 WeakPolarHBondContact OE1-CE 3.2Å; E63-K67 IonicContact OE1-NZ 3.91Å; E63-K67 PolarHBondContact OE1-NZ 3.36Å; K67-K83 VanDerWaalsContact O-CD 3.32Å; K67-K83 WeakPolarHBondContact O-CD 3.28Å; K67-K83 WeakPolarHBondContact O-CE 3.32Å; K67-K83 VanDerWaalsContact O-CG 3.28Å; K67-K83 WeakPolarHBondContact O-CG 3.44Å
68G63Low62.8Low58 Ų5889.5 Ų89.560%0.59852%0.523SS*.Hα-helixtrans-86.8-22.5-179.500000114.2E64E64-G68 VanDerWaalsContact O-CA 3.31Å; E64-G68 WeakPolarHBondContact O-CA 3.04Å; E64-G68 PolarHBondContact O-N 3.42Å
69G60.2Low61.3Low20 Ų2088.4 Ų88.421%0.20654%0.536CS..  trans72.2152.8-165.600000111.3
70I57.5Low59.8Low28 Ų2888.9 Ų88.914%0.14453%0.53CS..  trans-83.3127.9178.1-54.1174.2000108.2F61 W80F61-I70 HydrophobicContact CD2-CD1 4.39Å; F61-I70 HydrophobicContact CE2-CD1 4.07Å; I70-W80 HydrophobicContact CD1-CG 4Å
71P51.7Low58.5Low100 Ų10084.8 Ų84.865%0.64952%0.52SS*.  trans-57.6139174.5-20.730.9000111.3E73P71-E73 PolarHBondContact O-N 2.84Å
72V52.8Low57.7Low127 Ų12784.4 Ų84.477%0.7753%0.531SS*.G310 helixtrans-67.9-2-169-178.90000113.8C74V72-C74 VanDerWaalsContact C-N 3.29Å; V72-C74 PolarHBondContact O-N 3.49Å
73E53.7Low57.4Low189 Ų18989.7 Ų89.788%0.88355%0.546SS*.G310 helixtrans-78.2-5.7-179.6-66.4-172.8164.700114.7P71P71-E73 PolarHBondContact O-N 2.84Å
74C50.8Low57.3Low103 Ų10385.5 Ų85.570%0.69653%0.526SS*.G310 helixtrans-118.3-3.6-171.7-610000116.8V72V72-C74 VanDerWaalsContact C-N 3.29Å; V72-C74 PolarHBondContact O-N 3.49Å
75T46.2Very low57.5Low77 Ų7782.5 Ų82.547%0.47252%0.519SS..  trans-148.6127.2178.562.20000113.4S77T75-S77 PolarHBondContact O-N 2.79Å
76S47.5Very low57.9Low137 Ų13782.7 Ų82.796%0.95852%0.516SS*.SBendtrans-82.825.1-176.9470000114.8
77S44.7Very low58Low82 Ų8285.3 Ų85.357%0.57353%0.527SS*.SBendtrans-146.6112.9176.4-171.70000110.3T75 A79T75-S77 PolarHBondContact O-N 2.79Å; S77-A79 PolarHBondContact O-N 3.19Å
78G46.4Very low57.9Low73 Ų7383.5 Ų83.575%0.75353%0.53SS*.THydrogen-bonded Turntrans-66.828.4-174.600000116.2S81G78-S81 PolarHBondContact O-OG 3.25Å
79A46.2Very low58.7Low83 Ų8385.2 Ų85.269%0.68653%0.525SS*.THydrogen-bonded Turntrans-98.2-10.9179.600000113.9S77S77-A79 PolarHBondContact O-N 3.19Å
80W46.9Very low59.6Low115 Ų11585.2 Ų85.244%0.43652%0.521SS..SBendtrans-106.14.1179.3-140.8-58.4000113.5T57 I70T57-W80 WeakPolarHBondContact OG1-CZ2 3.4Å; T57-W80 PolarHBondContact OG1-NE1 2.98Å; I70-W80 HydrophobicContact CD1-CG 4Å
81S50.2Low60.5Low64 Ų6487.5 Ų87.545%0.44853%0.534SS..  trans-902.1-170.156.70000115.4G78 K83G78-S81 PolarHBondContact O-OG 3.25Å; S81-K83 PolarHBondContact O-N 3.2Å
82S56.5Low61.7Low104 Ų10488.7 Ų88.773%0.72753%0.528SS*.  trans-84109.5-174.1-62.60000111.3Y84S82-Y84 PolarHBondContact O-N 3.07Å
83K69.8Low62.9Low140 Ų14082.6 Ų82.661%0.60949%0.492SS*.  trans-50.7119.1171.7171.3164.6176.91700110.5K67 S81 T85K67-K83 VanDerWaalsContact O-CD 3.32Å; K67-K83 WeakPolarHBondContact O-CD 3.28Å; K67-K83 WeakPolarHBondContact O-CE 3.32Å; K67-K83 VanDerWaalsContact O-CG 3.28Å; K67-K83 WeakPolarHBondContact O-CG 3.44Å; S81-K83 PolarHBondContact O-N 3.2Å; K83-T85 PolarHBondContact O-N 3.22Å
84Y73.5Confident64Low21 Ų2174 Ų748%0.08245%0.452CS..  trans-71.6125.7175.4176.5-109.4000110D47 V48 K54 L66 S82 Y86D47-Y84 WeakPolarHBondContact CB-OH 3.44Å; D47-Y84 WeakPolarHBondContact OD2-CE2 3.49Å; D47-Y84 PolarHBondContact OD2-OH 3.41Å; V48-Y84 HydrophobicContact CG2-CD1 4.31Å; V48-Y84 HydrophobicContact CG2-CE1 3.55Å; V48-Y84 HydrophobicContact CG2-CE2 4.41Å; K54-Y84 HydrophobicContact CD-CD2 3.95Å; K54-Y84 HydrophobicContact CD-CE2 3.84Å; L66-Y84 HydrophobicContact CD1-CG 4.38Å; L66-Y84 HydrophobicContact CD2-CD1 3.61Å; L66-Y84 HydrophobicContact CD2-CE1 4.09Å; L66-Y84 HydrophobicContact CD2-CG 4.08Å; L66-Y84 HydrophobicContact CG-CD1 3.8Å; L66-Y84 HydrophobicContact CG-CG 3.87Å; L66-Y84 WeakPolarHBondContact O-CB 3.45Å; L66-Y84 PolarHBondContact O-N 3.14Å; S82-Y84 PolarHBondContact O-N 3.07Å; Y84-Y86 WeakPolarHBondContact OH-CD2 3.2Å
85T75.6Confident65Low109 Ų10975.8 Ų75.867%0.66945%0.447SS*.  trans-127.9118.1169.6-55.70000107.5K83K83-T85 PolarHBondContact O-N 3.22Å
86Y77.7Confident66.1Low18 Ų1879 Ų797%0.07146%0.457CS..  trans-62.3138.7174.3-177.3-117.9000109.3Y40 S43 E44 D47 Y84 G88 P90 T93Y40-Y86 HydrophobicContact CE2-CD1 4.17Å; Y40-Y86 HydrophobicContact CE2-CE1 4.04Å; Y40-Y86 AromaticContact CZ-CD1 3.91Å; S43-Y86 VanDerWaalsContact CB-OH 3.32Å; S43-Y86 WeakPolarHBondContact CB-OH 3.47Å; S43-Y86 PolarHBondContact OG-OH 2.96Å; E44-Y86 HydrophobicContact CB-CD1 4.29Å; E44-Y86 HydrophobicContact CB-CD2 4.34Å; E44-Y86 HydrophobicContact CB-CG 4.22Å; E44-Y86 HydrophobicContact CG-CD2 4.39Å; E44-Y86 HydrophobicContact CG-CG 4.12Å; D47-Y86 HydrophobicContact CB-CD2 4Å; D47-Y86 HydrophobicContact CB-CE2 3.84Å; Y84-Y86 WeakPolarHBondContact OH-CD2 3.2Å; Y86-G88 VanDerWaalsContact CD1-N 3.29Å; Y86-G88 PolarHBondContact O-N 2.94Å; Y86-P90 WeakPolarHBondContact OH-CA 3.49Å; Y86-T93 PolarHBondContact OH-OG1 3.04Å
87H73.3Confident67.3Low68 Ų6875 Ų7532%0.31542%0.422SS..  trans-69.6-0.4-176.255.1-89.2000113.7D47 I89 T93D47-H87 IonicContact OD1-CE1 3.9Å; H87-I89 PolarHBondContact NE2-O 2.76Å; H87-I89 PolarHBondContact O-N 2.95Å; H87-I89 VanDerWaalsContact O-N 3.12Å; H87-T93 PolarHBondContact CE1-OG1 2.89Å; H87-T93 PolarHBondContact NE2-OG1 3.33Å
88G72.6Confident68.6Low38 Ų3873.4 Ų73.439%0.39241%0.405SS..SBendtrans72.93.2167.700000115.4Y86 P90Y86-G88 VanDerWaalsContact CD1-N 3.29Å; Y86-G88 PolarHBondContact O-N 2.94Å; G88-P90 WeakPolarHBondContact O-CD 3.24Å
89I79.3Confident69.3Low93 Ų9373.3 Ų73.348%0.47740%0.404SS..  trans-121.191.2-177-53.5172000109.3H87 D91 K92H87-I89 PolarHBondContact NE2-O 2.76Å; H87-I89 PolarHBondContact O-N 2.95Å; H87-I89 VanDerWaalsContact O-N 3.12Å; I89-D91 HydrophobicContact CG2-CB 4.37Å; I89-D91 PolarHBondContact O-N 3.15Å; I89-K92 HydrophobicContact CB-CB 4.16Å; I89-K92 HydrophobicContact CG2-CB 4.02Å; I89-K92 WeakPolarHBondContact O-CB 3.49Å; I89-K92 PolarHBondContact O-N 2.95Å
90P78.4Confident69.2Low20 Ų2071.7 Ų71.713%0.1340%0.396CS..Hα-helixtrans-52.5-38.4178.3-30.336.9000113.9F39 Y40 S43 Y86 G88 K92 T93 F94F39-P90 HydrophobicContact CD1-CB 3.71Å; F39-P90 HydrophobicContact CE1-CB 3.51Å; F39-P90 HydrophobicContact CZ-CB 4.47Å; Y40-P90 HydrophobicContact CD2-CG 3.52Å; Y40-P90 HydrophobicContact CE2-CG 4.31Å; Y40-P90 HydrophobicContact CG-CG 4.24Å; S43-P90 WeakPolarHBondContact OG-CA 3.36Å; S43-P90 VanDerWaalsContact OG-CB 3.32Å; S43-P90 WeakPolarHBondContact OG-CB 3.4Å; Y86-P90 WeakPolarHBondContact OH-CA 3.49Å; G88-P90 WeakPolarHBondContact O-CD 3.24Å; P90-K92 PolarHBondContact O-N 2.94Å; P90-T93 PolarHBondContact O-N 2.97Å; P90-F94 WeakPolarHBondContact O-CB 3.31Å; P90-F94 PolarHBondContact O-N 2.82Å
91D76.4Confident69Low77 Ų7774.1 Ų74.141%0.41242%0.417SS..Hα-helixtrans-64.3-28.3-178.7-60.7-36.2000112.6I89 K95I89-D91 HydrophobicContact CG2-CB 4.37Å; I89-D91 PolarHBondContact O-N 3.15Å; D91-K95 WeakPolarHBondContact O-CB 3.32Å; D91-K95 VanDerWaalsContact O-CG 3.24Å; D91-K95 WeakPolarHBondContact O-CG 3.48Å; D91-K95 PolarHBondContact O-N 2.85Å
92K78.1Confident69Low124 Ų12476.6 Ų76.654%0.53943%0.426SS..Hα-helixtrans-70.7-45.4177-172.4-178.4180-177.10110.6I89 P90 F94 K95 Q96I89-K92 HydrophobicContact CB-CB 4.16Å; I89-K92 HydrophobicContact CG2-CB 4.02Å; I89-K92 WeakPolarHBondContact O-CB 3.49Å; I89-K92 PolarHBondContact O-N 2.95Å; P90-K92 PolarHBondContact O-N 2.94Å; K92-F94 VanDerWaalsContact C-N 3.3Å; K92-F94 PolarHBondContact O-N 3.24Å; K92-K95 PolarHBondContact O-N 3.3Å; K92-Q96 WeakPolarHBondContact O-CB 3.39Å; K92-Q96 PolarHBondContact O-N 3.46Å
93T76.3Confident68.9Low0 Ų074.6 Ų74.60%041%0.41CS..Hα-helixtrans-61.8-41.9174.7-54.20000110.9Y46 Y86 H87 P90 Q96 F97Y46-T93 HydrophobicContact CD1-CG2 3.35Å; Y46-T93 HydrophobicContact CE1-CG2 4.02Å; Y46-T93 HydrophobicContact CG-CG2 4.26Å; Y86-T93 PolarHBondContact OH-OG1 3.04Å; H87-T93 PolarHBondContact CE1-OG1 2.89Å; H87-T93 PolarHBondContact NE2-OG1 3.33Å; P90-T93 PolarHBondContact O-N 2.97Å; T93-Q96 PolarHBondContact O-N 2.82Å; T93-F97 PolarHBondContact O-N 3.33Å
94F77.4Confident68Low9 Ų971.2 Ų71.24%0.03940%0.395CS..Hα-helixtrans-63.5-48177.5-174.3-93000111.9A22 L23 H26 F39 P90 K92 Q96 F97 F98 P103 F104A22-F94 HydrophobicContact CB-CD2 4.17Å; A22-F94 HydrophobicContact CB-CE2 4.06Å; L23-F94 HydrophobicContact CD2-CZ 4.24Å; H26-F94 AromaticContact CD2-CE2 3.8Å; H26-F94 AromaticContact CD2-CZ 3.76Å; H26-F94 AromaticContact NE2-CE1 3.91Å; F39-F94 AromaticContact CE2-CD2 3.88Å; F39-F94 HydrophobicContact CE2-CD2 3.88Å; F39-F94 HydrophobicContact CE2-CE2 4.32Å; F39-F94 HydrophobicContact CZ-CB 4.1Å; F39-F94 AromaticContact CZ-CD2 3.78Å; F39-F94 HydrophobicContact CZ-CD2 3.78Å; F39-F94 HydrophobicContact CZ-CE2 4.47Å; F39-F94 HydrophobicContact CZ-CG 4.1Å; P90-F94 WeakPolarHBondContact O-CB 3.31Å; P90-F94 PolarHBondContact O-N 2.82Å; K92-F94 VanDerWaalsContact C-N 3.3Å; K92-F94 PolarHBondContact O-N 3.24Å; F94-Q96 VanDerWaalsContact C-N 3.35Å; F94-Q96 PolarHBondContact O-N 3.35Å; F94-F97 PolarHBondContact O-N 3.03Å; F94-F98 AromaticContact CD1-CD2 3.91Å; F94-F98 HydrophobicContact CD1-CD2 3.91Å; F94-F98 AromaticContact CD2-CD2 3.66Å; F94-F98 HydrophobicContact CD2-CD2 3.66Å; F94-F98 AromaticContact CD2-CE2 3.49Å; F94-F98 HydrophobicContact CD2-CE2 3.49Å; F94-F98 VanDerWaalsContact CD2-CE2 3.49Å; F94-F98 AromaticContact CE1-CD2 3.76Å; F94-F98 HydrophobicContact CE1-CD2 3.76Å; F94-F98 HydrophobicContact CE1-CE2 4.23Å; F94-F98 HydrophobicContact CE1-CG 4.44Å; F94-F98 AromaticContact CE2-CD2 3.5Å; F94-F98 HydrophobicContact CE2-CD2 3.5Å; F94-F98 AromaticContact CE2-CE2 3.12Å; F94-F98 HydrophobicContact CE2-CE2 3.12Å; F94-F98 HydrophobicContact CE2-CZ 4.04Å; F94-F98 AromaticContact CG-CD2 3.87Å; F94-F98 HydrophobicContact CG-CD2 3.87Å; F94-F98 HydrophobicContact CG-CE2 4.18Å; F94-F98 AromaticContact CZ-CD2 3.53Å; F94-F98 HydrophobicContact CZ-CD2 3.53Å; F94-F98 AromaticContact CZ-CE2 3.53Å; F94-F98 HydrophobicContact CZ-CE2 3.53Å; F94-F98 HydrophobicContact CZ-CG 4.36Å; F94-F98 HydrophobicContact CZ-CZ 4.32Å; F94-F98 VanDerWaalsContact O-CD2 3.29Å; F94-F98 WeakPolarHBondContact O-CD2 3.49Å; F94-F98 PolarHBondContact O-N 3.41Å; F94-P103 HydrophobicContact CE1-CG 3.35Å; F94-P103 HydrophobicContact CZ-CG 3.48Å; F94-P103 VanDerWaalsContact CZ-CG 3.48Å; F94-F104 AromaticContact CE1-CE2 3.93Å; F94-F104 HydrophobicContact CE1-CE2 3.93Å; F94-F104 AromaticContact CZ-CE2 3.64Å; F94-F104 HydrophobicContact CZ-CE2 3.64Å; F94-F104 AromaticContact CZ-CZ 3.78Å; F94-F104 HydrophobicContact CZ-CZ 3.78Å
95K71.7Confident66.6Low140 Ų14073.3 Ų73.361%0.60942%0.417SS*.Hα-helixtrans-61.4-41.6176.1-77.1176.4-178.6-175.10112.5D91 K92 F97 F98 G99D91-K95 WeakPolarHBondContact O-CB 3.32Å; D91-K95 VanDerWaalsContact O-CG 3.24Å; D91-K95 WeakPolarHBondContact O-CG 3.48Å; D91-K95 PolarHBondContact O-N 2.85Å; K92-K95 PolarHBondContact O-N 3.3Å; K95-F97 VanDerWaalsContact C-N 3.29Å; K95-F97 PolarHBondContact O-N 3.14Å; K95-F98 PolarHBondContact O-N 3.13Å; K95-G99 PolarHBondContact O-N 3.32Å
96Q70.4Confident64.6Low143 Ų14371.4 Ų71.467%0.66842%0.419SS*.Hα-helixtrans-62.3-36.8176.7-175.6177.2-6.200112.1K92 T93 F94K92-Q96 WeakPolarHBondContact O-CB 3.39Å; K92-Q96 PolarHBondContact O-N 3.46Å; T93-Q96 PolarHBondContact O-N 2.82Å; F94-Q96 VanDerWaalsContact C-N 3.35Å; F94-Q96 PolarHBondContact O-N 3.35Å
97F72.4Confident62.5Low54 Ų5479.5 Ų79.524%0.23746%0.458CS..Hα-helixtrans-74.2-39.2176.7-178-98.4000113.4L15 Y18 R19 Y46 T93 F94 K95L15-F97 HydrophobicContact CD2-CE2 4.02Å; Y18-F97 HydrophobicContact CD1-CD1 4.22Å; Y18-F97 HydrophobicContact CD1-CD2 4.19Å; Y18-F97 HydrophobicContact CD1-CE1 4.14Å; Y18-F97 HydrophobicContact CD1-CE2 4.11Å; Y18-F97 HydrophobicContact CD1-CG 4.22Å; Y18-F97 HydrophobicContact CD1-CZ 4.07Å; Y18-F97 HydrophobicContact CE1-CB 4.2Å; Y18-F97 AromaticContact CE1-CD1 3.97Å; Y18-F97 HydrophobicContact CE1-CD1 3.97Å; Y18-F97 HydrophobicContact CE1-CD2 4.11Å; Y18-F97 HydrophobicContact CE1-CE1 4.36Å; Y18-F97 HydrophobicContact CE1-CE2 4.48Å; Y18-F97 AromaticContact CE1-CG 3.81Å; Y18-F97 HydrophobicContact CE1-CG 3.81Å; R19-F97 HydrophobicContact CB-CE1 3.93Å; R19-F97 HydrophobicContact CB-CZ 4.12Å; R19-F97 HydrophobicContact CG-CE1 4.2Å; Y46-F97 HydrophobicContact CE1-CD2 4.42Å; Y46-F97 AromaticContact CE2-CD2 3.59Å; Y46-F97 HydrophobicContact CE2-CD2 3.59Å; Y46-F97 AromaticContact CE2-CE2 3.87Å; Y46-F97 HydrophobicContact CE2-CE2 3.87Å; Y46-F97 AromaticContact CZ-CD2 3.53Å; Y46-F97 WeakPolarHBondContact OH-CD2 3.28Å; T93-F97 PolarHBondContact O-N 3.33Å; F94-F97 PolarHBondContact O-N 3.03Å; K95-F97 VanDerWaalsContact C-N 3.29Å; K95-F97 PolarHBondContact O-N 3.14Å
98F72.3Confident60.9Low48 Ų4884 Ų8421%0.21148%0.476CS..Hα-helixtrans-94.4-9.2-174.9-73.3-77.3000114.7R19 L23 F94 K95 P103R19-F98 HydrophobicContact CG-CE1 3.98Å; R19-F98 HydrophobicContact CG-CZ 3.96Å; L23-F98 HydrophobicContact CD1-CZ 4.49Å; L23-F98 HydrophobicContact CD2-CE1 4.49Å; L23-F98 HydrophobicContact CD2-CZ 4.2Å; L23-F98 HydrophobicContact CG-CZ 4.12Å; F94-F98 AromaticContact CD1-CD2 3.91Å; F94-F98 HydrophobicContact CD1-CD2 3.91Å; F94-F98 AromaticContact CD2-CD2 3.66Å; F94-F98 HydrophobicContact CD2-CD2 3.66Å; F94-F98 AromaticContact CD2-CE2 3.49Å; F94-F98 HydrophobicContact CD2-CE2 3.49Å; F94-F98 VanDerWaalsContact CD2-CE2 3.49Å; F94-F98 AromaticContact CE1-CD2 3.76Å; F94-F98 HydrophobicContact CE1-CD2 3.76Å; F94-F98 HydrophobicContact CE1-CE2 4.23Å; F94-F98 HydrophobicContact CE1-CG 4.44Å; F94-F98 AromaticContact CE2-CD2 3.5Å; F94-F98 HydrophobicContact CE2-CD2 3.5Å; F94-F98 AromaticContact CE2-CE2 3.12Å; F94-F98 HydrophobicContact CE2-CE2 3.12Å; F94-F98 HydrophobicContact CE2-CZ 4.04Å; F94-F98 AromaticContact CG-CD2 3.87Å; F94-F98 HydrophobicContact CG-CD2 3.87Å; F94-F98 HydrophobicContact CG-CE2 4.18Å; F94-F98 AromaticContact CZ-CD2 3.53Å; F94-F98 HydrophobicContact CZ-CD2 3.53Å; F94-F98 AromaticContact CZ-CE2 3.53Å; F94-F98 HydrophobicContact CZ-CE2 3.53Å; F94-F98 HydrophobicContact CZ-CG 4.36Å; F94-F98 HydrophobicContact CZ-CZ 4.32Å; F94-F98 VanDerWaalsContact O-CD2 3.29Å; F94-F98 WeakPolarHBondContact O-CD2 3.49Å; F94-F98 PolarHBondContact O-N 3.41Å; K95-F98 PolarHBondContact O-N 3.13Å; F98-P103 HydrophobicContact CD1-CB 4.37Å; F98-P103 HydrophobicContact CG-CG 4.44Å
99G59.6Low58.9Low71 Ų7187 Ų8773%0.73249%0.492SS*.  trans85.46.5168.700000117.2K95K95-G99 PolarHBondContact O-N 3.32Å
100G45.8Very low56.9Low50 Ų5086.8 Ų86.852%0.51550%0.503SS..SBendtrans99.6146.1178.100000114.8
101D42.3Very low54.8Low165 Ų16593 Ų9388%0.88253%0.528SS*.SBendtrans53.297-178.6-60.9-21.6000119.4
102N50.2Low52.7Low117 Ų11796.5 Ų96.563%0.62654%0.54SS*.  trans42.887.4162.7-88.5-18.3000117.7F104 A105N102-F104 PolarHBondContact O-N 3.45Å; N102-A105 HydrophobicContact CB-CB 3.59Å; N102-A105 PolarHBondContact O-N 3.43Å
103P53.7Low50.6Low61 Ų6195.9 Ų95.940%0.39655%0.546SS..THydrogen-bonded Turntrans-68.33.9164.228.6-31.7000113.6L23 F94 F98L23-P103 HydrophobicContact CD2-CB 4.35Å; F94-P103 HydrophobicContact CE1-CG 3.35Å; F94-P103 HydrophobicContact CZ-CG 3.48Å; F94-P103 VanDerWaalsContact CZ-CG 3.48Å; F98-P103 HydrophobicContact CD1-CB 4.37Å; F98-P103 HydrophobicContact CG-CG 4.44Å
104F51.7Low48.6Very low69 Ų69104 Ų10430%0.30358%0.578SS.*THydrogen-bonded Turntrans-115.9-4.7179.6-55.3-73.8000113.5L23 H26 K29 F94 N102L23-F104 HydrophobicContact CD2-CE1 3.76Å; L23-F104 HydrophobicContact CD2-CZ 3.76Å; H26-F104 HydrophobicContact CB-CE1 4.03Å; H26-F104 HydrophobicContact CB-CE2 4.15Å; H26-F104 HydrophobicContact CB-CZ 3.41Å; H26-F104 VanDerWaalsContact CB-CZ 3.41Å; H26-F104 AromaticContact CD2-CE2 3.55Å; H26-F104 AromaticContact CD2-CZ 3.59Å; H26-F104 AromaticContact CE1-CE2 3.39Å; H26-F104 WeakPolarHBondContact CE1-CE2 3.29Å; H26-F104 AromaticContact CG-CE2 3.41Å; H26-F104 VanDerWaalsContact CG-CE2 3.41Å; H26-F104 AromaticContact CG-CZ 3.19Å; H26-F104 AromaticContact ND1-CE2 3.3Å; H26-F104 VanDerWaalsContact ND1-CE2 3.3Å; H26-F104 WeakPolarHBondContact ND1-CE2 3.37Å; H26-F104 AromaticContact ND1-CZ 3.49Å; H26-F104 WeakPolarHBondContact ND1-CZ 3.17Å; H26-F104 AromaticContact NE2-CE2 3.52Å; K29-F104 HydrophobicContact CB-CE1 4.42Å; F94-F104 AromaticContact CE1-CE2 3.93Å; F94-F104 HydrophobicContact CE1-CE2 3.93Å; F94-F104 AromaticContact CZ-CE2 3.64Å; F94-F104 HydrophobicContact CZ-CE2 3.64Å; F94-F104 AromaticContact CZ-CZ 3.78Å; F94-F104 HydrophobicContact CZ-CZ 3.78Å; N102-F104 PolarHBondContact O-N 3.45Å
105A43.2Very low46.6Very low66 Ų66110.8 Ų110.855%0.54561%0.613SS.*SBendtrans-85.7114.617600000109.9N102N102-A105 HydrophobicContact CB-CB 3.59Å; N102-A105 PolarHBondContact O-N 3.43Å
106G34.1Very low44.7Very low68 Ų68109.9 Ų109.970%0.70162%0.619SS**SBendtrans52.5109.1153.100000118.8
107E32.6Very low42.9Very low189 Ų189109 Ų10988%0.88363%0.626SS**SBendtrans63.1109.6159.6-69.4-175.914600118.1S109E107-S109 VanDerWaalsContact C-N 3.29Å; E107-S109 PolarHBondContact O-N 3.41Å
108K39.5Very low41Very low162 Ų162114.9 Ų114.970%0.70465%0.652SS**  trans14.460.1154.7-61.2-175-178178.60116.7A110K108-A110 VanDerWaalsContact C-N 3.3Å; K108-A110 PolarHBondContact O-N 3.16Å
109S31.1Very low39.1Very low102 Ų102118.5 Ų118.571%0.71368%0.678SS**  trans-80.487171-161.70000108.8E107 F111E107-S109 VanDerWaalsContact C-N 3.29Å; E107-S109 PolarHBondContact O-N 3.41Å; S109-F111 PolarHBondContact O-N 2.81Å
110A37.3Very low37.7Very low87 Ų87123 Ų12372%0.71968%0.677SS**  trans-67.495.5169.800000108.6K108 K112K108-A110 VanDerWaalsContact C-N 3.3Å; K108-A110 PolarHBondContact O-N 3.16Å; A110-K112 PolarHBondContact O-N 3.5Å
111F34.1Very low36.9Very low150 Ų150127.1 Ų127.166%0.65869%0.687SS**  trans-61.4101.5161.4-106.5-93.7000108.4S109S109-F111 PolarHBondContact O-N 2.81Å
112K33.2Very low36.8Very low152 Ų152124.5 Ų124.566%0.66168%0.682SS**  trans-77.9119.6168.3-107179.7178.6171.70108.5A110 Y114A110-K112 PolarHBondContact O-N 3.5Å; K112-Y114 HydrophobicContact CB-CD2 4.09Å; K112-Y114 HydrophobicContact CB-CE2 3.56Å; K112-Y114 HydrophobicContact CD-CE1 4.4Å; K112-Y114 HydrophobicContact CD-CE2 4.09Å; K112-Y114 WeakPolarHBondContact CD-OH 3.35Å; K112-Y114 HydrophobicContact CG-CE2 4.42Å; K112-Y114 PolarHBondContact O-N 3.17Å
113V33.3Very low36Very low110 Ų110127.2 Ų127.267%0.66769%0.689SS**  trans-80.3112.4165.8178.40000106.9
114Y34.3Very low35.2Very low170 Ų170131.7 Ų131.767%0.66771%0.708SS**  trans-91.6122.2171.3-70.1-91.1000109.2K112K112-Y114 HydrophobicContact CB-CD2 4.09Å; K112-Y114 HydrophobicContact CB-CE2 3.56Å; K112-Y114 HydrophobicContact CD-CE1 4.4Å; K112-Y114 HydrophobicContact CD-CE2 4.09Å; K112-Y114 WeakPolarHBondContact CD-OH 3.35Å; K112-Y114 HydrophobicContact CG-CE2 4.42Å; K112-Y114 PolarHBondContact O-N 3.17Å
115I35.8Very low34.4Very low152 Ų152136 Ų13678%0.77973%0.733SS**  trans-97.8107.7167-60.1173000105.8
116V32.6Very low34.3Very low121 Ų121138.1 Ų138.173%0.73374%0.736SS**  trans-104.4136.5169.7-82.10000109.6F118V116-F118 PolarHBondContact O-N 3.48Å
117P31.5Very low34.5Very low126 Ų126141.7 Ų141.782%0.81873%0.732SS**  trans-74.7125.7178.128.1-30.5000110.8
118F32.3Very low34.5Very low177 Ų177139.6 Ų139.678%0.77673%0.726SS**  trans-108.8125169.6-171.5-100.2000108.8V116 F120V116-F118 PolarHBondContact O-N 3.48Å; F118-F120 HydrophobicContact CE1-CB 4.23Å
119V33.9Very low34.3Very low124 Ų124136.6 Ų136.675%0.75272%0.724SS**  trans-105117.4-177177.90000109
120F30.1Very low34.3Very low164 Ų164138.6 Ų138.672%0.71972%0.721SS**  trans-129.3118.9167.8-157.1-99.9000110.6F118F118-F120 HydrophobicContact CE1-CB 4.23Å
121N28.5Very low34Very low137 Ų137140.1 Ų140.173%0.73372%0.721SS**THydrogen-bonded Turntrans49.259.5171.5-140.5-11.3000116.1K123N121-K123 VanDerWaalsContact C-N 3.32Å; N121-K123 PolarHBondContact O-N 3.4Å
122S40.1Very low33.7Very low111 Ų111141.2 Ų141.278%0.77673%0.725SS**THydrogen-bonded Turntrans59.117161.272.80000119.3
123K33.7Very low33.5Very low174 Ų174139.7 Ų139.776%0.75773%0.731SS**  trans-128.6127.7164-67.2-173.2-178.9179.90111.5N121 L125N121-K123 VanDerWaalsContact C-N 3.32Å; N121-K123 PolarHBondContact O-N 3.4Å; K123-L125 PolarHBondContact O-N 2.95Å
124L35.5Very low33.5Very low155 Ų155138.9 Ų138.981%0.81274%0.736SS**  trans-73.895.4-179.8-160.1149.1000109.4
125L36.5Very low33.3Very low158 Ų158137.7 Ų137.783%0.82774%0.741SS**  trans-95.2110.4169.4-103.2153.7000108K123K123-L125 PolarHBondContact O-N 2.95Å
126N40.7Very low33.1Very low111 Ų111140.5 Ų140.559%0.59475%0.748SS**  trans-72.2146.1167.9-79.3-35.2000109.7
127F38.2Very low32.8Very low144 Ų144144 Ų14463%0.63275%0.75SS**  trans96.296.1168.6-58.8-79.2000117.4L8L8-F127 HydrophobicContact CD1-CD2 4.41Å; L8-F127 HydrophobicContact CD1-CE2 4.26Å
128L32Very low32.5Very low145 Ų145143.1 Ų143.176%0.75974%0.742SS**  trans-142123.6133-105157.8000108.3F130L128-F130 HydrophobicContact CB-CD2 4.39Å; L128-F130 HydrophobicContact CB-CE2 4.05Å
129C34.9Very low32.2Very low98 Ų98142.4 Ų142.466%0.66275%0.745SS**  trans-87.3110.5176.6-162.10000107.3
130F31.1Very low32Very low145 Ų145144.3 Ų144.364%0.63675%0.745SS**  trans-99.3128169.6-79.7-83000109.5L128 F132L128-F130 HydrophobicContact CB-CD2 4.39Å; L128-F130 HydrophobicContact CB-CE2 4.05Å; F130-F132 HydrophobicContact CB-CD2 4.34Å; F130-F132 HydrophobicContact CB-CE2 3.93Å
131V32.8Very low31.8Very low119 Ų119142.4 Ų142.472%0.72175%0.752SS**  trans-94.5115171.2179.60000106.6
132F26.8Very low32.1Very low172 Ų172139.6 Ų139.675%0.75476%0.755SS**  trans-104.1139.2168.2-75.5-80.2000109.7F130F130-F132 HydrophobicContact CB-CD2 4.34Å; F130-F132 HydrophobicContact CB-CE2 3.93Å
133P28.2Very low31.5Very low120 Ų120142.3 Ų142.378%0.77976%0.76SS**  trans-71.5148.4169.928.6-29.9000110.9D135P133-D135 PolarHBondContact O-N 3.26Å
134A33.7Very low31.1Very low93 Ų93143 Ų14377%0.76977%0.766SS**  trans-71.9113.2-169.800000112
135D31.7Very low30.7Very low145 Ų145143.8 Ų143.878%0.77576%0.763SS**  trans-156.981.7152.1-84.3-37.8000108.8P133P133-D135 PolarHBondContact O-N 3.26Å
136F29.9Very low30.3Very low212 Ų212141.6 Ų141.693%0.9376%0.761SS**  trans-150114.1154-151.8-101.3000110
137Y26.3Very low29.8Very low195 Ų195141.7 Ų141.777%0.76577%0.771SS**  trans-66.6143.3-166-94-102.1000114.5
138T26.1Very low29.5Very low106 Ų106143 Ų14365%0.6578%0.784SS**  trans28.6143.2140.827.10000120.1
139I26.6Very low29.4Very low163 Ų163142 Ų14284%0.83678%0.783SS**  -145.8147.368.8-76.2172.3000112.6
140E29.2Very low29.6Very low164 Ų164144.7 Ų144.777%0.76680%0.796SS**  trans-55.8148.1-177.7-57.8175.7133.200116.1
141S25.5Very low29.8Very low124 Ų124140.4 Ų140.487%0.86779%0.793SS**  trans-166.7112.5132.5-73.40000107.4
142G34.6Very low30.5Very low77 Ų77139.5 Ų139.579%0.79479%0.788SS**  trans-70.5164.2-164.800000115.9
143L27.3Very low31.7Very low169 Ų169140.4 Ų140.489%0.88579%0.794SS**  trans-146.3128.5160.8-97.5167.5000111.6
144Q26.5Very low33.4Very low188 Ų188141 Ų14188%0.87978%0.784SS**  trans-55.4143171.6-76.2167.2-17.800111.9
145F27.5Very low35.1Very low171 Ų171144.3 Ų144.375%0.7578%0.781SS**  trans-94.5115.9171.8-108.5-101.9000109.6
146S27.8Very low37.4Very low112 Ų112141.2 Ų141.278%0.78376%0.762SS**  trans-114.7146.5160.763.30000110.2
147S29.4Very low39.8Very low114 Ų114135.5 Ų135.580%0.79774%0.742SS**  trans7.5132.5169.1-152.90000120.9V149S147-V149 PolarHBondContact O-N 3.03Å; S147-V149 VanDerWaalsContact O-N 3.14Å
148L32.1Very low42.7Very low172 Ų172131 Ų13190%0.90174%0.738SS**  trans-67.5104.1177.2-68.9166.6000112.2
149V28.8Very low45.8Very low124 Ų124129.1 Ų129.175%0.75273%0.728SS**  trans-105133.8158.5-178.90000107S147 G151S147-V149 PolarHBondContact O-N 3.03Å; S147-V149 VanDerWaalsContact O-N 3.14Å; V149-G151 PolarHBondContact O-N 3.44Å
150V39.4Very low48.9Very low153 Ų153124 Ų12493%0.92770%0.701SS**  trans-69.183.3168.9179.40000107.4
151G36.7Very low52.1Low55 Ų55121 Ų12157%0.56769%0.688SS**  trans-88.9122.7174.400000109.7V149 E153V149-G151 PolarHBondContact O-N 3.44Å; G151-E153 PolarHBondContact O-N 3.44Å; G151-E153 VanDerWaalsContact O-N 3.09Å
152V46.8Very low55.4Low101 Ų101122 Ų12261%0.61267%0.673SS**  trans-61.7107.5156.6176.30000105.8K154 N225V152-K154 PolarHBondContact O-N 2.82Å; V152-N225 HydrophobicContact CG1-CB 4.22Å
153E52.5Low58.4Low190 Ų190123.1 Ų123.189%0.88866%0.66SS**  trans-63.1103.5172.1-82.3-172164.600107.8G151 K155G151-E153 PolarHBondContact O-N 3.44Å; G151-E153 VanDerWaalsContact O-N 3.09Å; E153-K155 PolarHBondContact O-N 2.89Å
154K62.2Low61.8Low133 Ų133115.4 Ų115.458%0.57862%0.62SS**PPolyproline II helixtrans-67.5117.6175.1-59.3-178.6178.5-179.90107.6V152 I227V152-K154 PolarHBondContact O-N 2.82Å; K154-I227 HydrophobicContact CB-CD1 3.91Å; K154-I227 HydrophobicContact CB-CG1 3.73Å; K154-I227 HydrophobicContact CD-CG1 4.32Å
155K71.1Confident65.1Low163 Ų163109.6 Ų109.671%0.70960%0.598SS**EExtended strand (participates in β ladder)trans-82.7136.6175.2-168.5178176.4-1720108.7E153 C226 I227E153-K155 PolarHBondContact O-N 2.89Å; K155-C226 PolarHBondContact O-SG 3.38Å; K155-C226 VanDerWaalsContact O-SG 3.35Å; K155-I227 PolarHBondContact O-N 2.93Å
156Q79.6Confident68.5Low79 Ų79101.4 Ų101.437%0.36956%0.563SS.*EExtended strand (participates in β ladder)trans-96.8132.5170.5-172172.7-13.700108.6I227 D230Q156-I227 HydrophobicContact CB-CB 3.95Å; Q156-I227 HydrophobicContact CB-CG2 4.24Å; Q156-I227 HydrophobicContact CG-CB 4.13Å; Q156-I227 HydrophobicContact CG-CG2 3.97Å; Q156-D230 PolarHBondContact NE2-OD1 3.19Å; Q156-D230 PolarHBondContact NE2-OD2 3.02Å
157D80.1Confident71.7Confident93 Ų9397.5 Ų97.550%0.49754%0.535SS..PPolyproline II helixtrans-73.5161.1175.6-68.2-34.9000111.4C226 A229D157-C226 PolarHBondContact OD2-SG 3.35Å; D157-A229 HydrophobicContact CB-CB 4.31Å
158S86.3Confident74.9Confident99 Ų9992.2 Ų92.269%0.69250%0.498SS*.PPolyproline II helixtrans-59.5147.2178.652.80000111.8
159P91.5Very high78Confident67 Ų6786.7 Ų86.744%0.43547%0.469SS..PPolyproline II helixtrans-57.7140.3178.7-22.732.7000112.8E161 D230 V232P159-E161 PolarHBondContact O-N 3.42Å; P159-D230 CarbonylContact C-O 3.6Å; P159-D230 WeakPolarHBondContact CA-O 3.15Å; P159-D230 HydrophobicContact CB-CB 4.39Å; P159-V232 HydrophobicContact CB-CG2 3.75Å
160I92.6Very high81.2Confident55 Ų5582.2 Ų82.228%0.28244%0.441SS..EExtended strand (participates in β ladder)trans-86.8107.8176.6-58.7169.9000107.8A229 D230 I231 V232I160-A229 HydrophobicContact CD1-CB 4.18Å; I160-A229 HydrophobicContact CG1-CB 4.13Å; I160-D230 PolarHBondContact N-O 3.2Å; I160-I231 HydrophobicContact CB-CG1 4.4Å; I160-I231 WeakPolarHBondContact O-CA 3.44Å; I160-V232 PolarHBondContact O-N 3.3Å
161E95.6Very high83.9Confident103 Ų10375 Ų7548%0.48140%0.397SS..EExtended strand (participates in β ladder)trans-85.9139.4178.3-55.8-164.6147.900111.5P159 R213 V232 I234P159-E161 PolarHBondContact O-N 3.42Å; E161-R213 IonicContact OE1-CZ 2.68Å; E161-R213 IonicContact OE1-NH2 2.78Å; E161-R213 PolarHBondContact OE1-NH2 2.76Å; E161-V232 CarbonylContact C-O 3.6Å; E161-V232 WeakPolarHBondContact CA-O 3.47Å; E161-V232 HydrophobicContact CG-CB 4.38Å; E161-I234 HydrophobicContact CB-CD1 4.1Å; E161-I234 HydrophobicContact CG-CD1 4.36Å
162R95.6Very high86.7Confident145 Ų14573.3 Ų73.355%0.54737%0.374SS..EExtended strand (participates in β ladder)trans-139136.2177.7-65-64.4170.5100.8-0.5110V232 F233 I234R162-V232 PolarHBondContact N-O 3.29Å; R162-F233 HydrophobicContact CB-CD1 3.74Å; R162-F233 HydrophobicContact CB-CE1 3.75Å; R162-F233 HydrophobicContact CG-CE1 4.34Å; R162-F233 CarbonylContact O-C 3.53Å; R162-F233 VanDerWaalsContact O-CA 3.24Å; R162-F233 WeakPolarHBondContact O-CA 3.21Å; R162-I234 PolarHBondContact O-N 2.92Å
163D97.4Very high89Confident100 Ų10073.5 Ų73.554%0.53537%0.368SS..EExtended strand (participates in β ladder)trans-74.9136.2173.9-68.1-41.2000110.8P165 R236D163-P165 WeakPolarHBondContact O-CD 3.37Å; D163-R236 HydrophobicContact CB-CG 3.75Å; D163-R236 WeakPolarHBondContact OD1-CG 3.42Å; D163-R236 IonicContact OD1-CZ 2.76Å; D163-R236 IonicContact OD1-NE 3.15Å; D163-R236 PolarHBondContact OD1-NE 3.49Å; D163-R236 IonicContact OD1-NH2 3.84Å
164L97.5Very high91Very high6 Ų665.4 Ų65.43%0.03134%0.336CS..EExtended strand (participates in β ladder)trans-111.193.4171.6172.965.8000108.1L166 K177 I179 I202 I214 F233 I234 V235 R236L164-L166 HydrophobicContact CD1-CD2 4.17Å; L164-L166 HydrophobicContact CD2-CD1 4.13Å; L164-L166 HydrophobicContact CD2-CD2 4.5Å; L164-L166 HydrophobicContact CD2-CG 4.45Å; L164-L166 HydrophobicContact CG-CD1 4.26Å; L164-L166 HydrophobicContact CG-CD2 4.1Å; L164-L166 HydrophobicContact CG-CG 4.05Å; L164-L166 PolarHBondContact O-N 3.04Å; L164-K177 HydrophobicContact CD1-CB 4.19Å; L164-K177 HydrophobicContact CD1-CG 4.16Å; L164-I179 HydrophobicContact CD1-CD1 3.82Å; L164-I202 HydrophobicContact CD1-CD1 4.47Å; L164-I202 HydrophobicContact CD2-CD1 3.95Å; L164-I202 HydrophobicContact CD2-CG2 4.05Å; L164-I214 HydrophobicContact CD2-CD1 4.4Å; L164-F233 HydrophobicContact CB-CB 4.24Å; L164-F233 HydrophobicContact CB-CD1 4.5Å; L164-I234 PolarHBondContact N-O 3.48Å; L164-V235 HydrophobicContact CD2-CG2 4.28Å; L164-R236 PolarHBondContact O-N 3Å
165P97.3Very high92.6Very high66 Ų6660.5 Ų60.543%0.42932%0.318SS..EExtended strand (participates in β ladder)trans-79.3120.7-177.532.2-35.4000111.4D163 R236 K238D163-P165 WeakPolarHBondContact O-CD 3.37Å; P165-R236 CarbonylContact C-O 3.51Å; P165-R236 VanDerWaalsContact CA-O 3.31Å; P165-R236 WeakPolarHBondContact CA-O 3.15Å; P165-K238 HydrophobicContact CB-CG 4.17Å; P165-K238 WeakPolarHBondContact O-CE 3.5Å
166L97.3Very high93.8Very high0 Ų057.8 Ų57.80%031%0.31CS..EExtended strand (participates in β ladder)trans-122.7142.3-177-61.3177.3000110.8L164 D170 L171 K177 V204 V235 R236 K238L164-L166 HydrophobicContact CD1-CD2 4.17Å; L164-L166 HydrophobicContact CD2-CD1 4.13Å; L164-L166 HydrophobicContact CD2-CD2 4.5Å; L164-L166 HydrophobicContact CD2-CG 4.45Å; L164-L166 HydrophobicContact CG-CD1 4.26Å; L164-L166 HydrophobicContact CG-CD2 4.1Å; L164-L166 HydrophobicContact CG-CG 4.05Å; L164-L166 PolarHBondContact O-N 3.04Å; L166-D170 HydrophobicContact CB-CB 4.16Å; L166-D170 HydrophobicContact CD2-CB 4.32Å; L166-L171 HydrophobicContact CB-CD1 4.27Å; L166-L171 HydrophobicContact CB-CD2 4.13Å; L166-L171 HydrophobicContact CB-CG 3.98Å; L166-L171 HydrophobicContact CD1-CD2 3.63Å; L166-L171 HydrophobicContact CD1-CG 4.38Å; L166-K177 HydrophobicContact CD2-CD 4.24Å; L166-K177 HydrophobicContact CD2-CG 3.85Å; L166-V204 HydrophobicContact CD1-CB 4.44Å; L166-V204 HydrophobicContact CD1-CG1 3.76Å; L166-V204 HydrophobicContact CD1-CG2 3.77Å; L166-V204 HydrophobicContact CD2-CG2 4.19Å; L166-V235 HydrophobicContact CD1-CG1 3.99Å; L166-V235 HydrophobicContact CD1-CG2 4.2Å; L166-R236 PolarHBondContact N-O 3.43Å; L166-K238 PolarHBondContact O-N 3.45Å
167S96.8Very high94.6Very high29 Ų2956.8 Ų56.820%0.20331%0.305CS..  trans-76.1166.7170.163.80000111.4D169 D170 L171S167-D169 PolarHBondContact O-N 3.2Å; S167-D170 PolarHBondContact N-OD2 3.06Å; S167-D170 WeakPolarHBondContact O-CB 3.34Å; S167-D170 PolarHBondContact O-N 2.88Å; S167-D170 PolarHBondContact OG-N 3.49Å; S167-D170 VanDerWaalsContact OG-N 3.13Å; S167-D170 PolarHBondContact OG-OD2 3.5Å; S167-L171 WeakPolarHBondContact O-CG 3.39Å; S167-L171 PolarHBondContact O-N 2.78Å; S167-L171 VanDerWaalsContact O-N 3.14Å
168L96.4Very high95.4Very high4 Ų459.7 Ų59.72%0.02131%0.313CS..Hα-helixtrans-61.4-36.1171.3-66.4-177.2000111.3L171 F172 H240 F243 R245 L250 L272L168-L171 CarbonylContact O-C 3.6Å; L168-L171 PolarHBondContact O-N 2.95Å; L168-F172 WeakPolarHBondContact O-CB 3.37Å; L168-F172 PolarHBondContact O-N 2.78Å; L168-H240 HydrophobicContact CD1-CB 3.56Å; L168-H240 HydrophobicContact CG-CB 4.04Å; L168-F243 HydrophobicContact CD1-CB 3.79Å; L168-R245 HydrophobicContact CD2-CB 3.87Å; L168-R245 HydrophobicContact CD2-CG 4.48Å; L168-L250 HydrophobicContact CD1-CD2 4.19Å; L168-L272 HydrophobicContact CB-CD1 4Å; L168-L272 HydrophobicContact CB-CD2 4.28Å
169D95.8Very high95.8Very high56 Ų5657 Ų5730%0.29929%0.29SS..Hα-helixtrans-62.4-43.1175.5-47.6-90.5000112.6S167 L171 F172 H173S167-D169 PolarHBondContact O-N 3.2Å; D169-L171 VanDerWaalsContact C-N 3.26Å; D169-L171 PolarHBondContact O-N 2.83Å; D169-F172 PolarHBondContact O-N 2.84Å; D169-H173 PolarHBondContact O-N 3.48Å; D169-H173 PolarHBondContact O-ND1 2.76Å
170D96.4Very high96Very high30 Ų3060.1 Ų60.116%0.1630%0.297CS..Hα-helixtrans-59.8-39.6175.1-80.4-40.6000110.7L166 S167 G174 C175 K177L166-D170 HydrophobicContact CB-CB 4.16Å; L166-D170 HydrophobicContact CD2-CB 4.32Å; S167-D170 PolarHBondContact N-OD2 3.06Å; S167-D170 WeakPolarHBondContact O-CB 3.34Å; S167-D170 PolarHBondContact O-N 2.88Å; S167-D170 PolarHBondContact OG-N 3.49Å; S167-D170 VanDerWaalsContact OG-N 3.13Å; S167-D170 PolarHBondContact OG-OD2 3.5Å; D170-G174 CarbonylContact O-C 3.59Å; D170-G174 WeakPolarHBondContact O-CA 3.44Å; D170-G174 PolarHBondContact O-N 3.44Å; D170-C175 PolarHBondContact OD1-SG 2.83Å; D170-K177 IonicContact OD1-NZ 3.76Å; D170-K177 PolarHBondContact OD1-NZ 2.93Å; D170-K177 WeakPolarHBondContact OD2-CE 3.42Å; D170-K177 IonicContact OD2-NZ 2.95Å; D170-K177 PolarHBondContact OD2-NZ 3.22Å
171L95.9Very high96.1Very high0 Ų058.3 Ų58.30%029%0.288CS..Hα-helixtrans-80.2-22.8-179.8-66.7168.5000112.8L166 S167 L168 D169 V204 P206 G207 W208 V235 E237 M298L166-L171 HydrophobicContact CB-CD1 4.27Å; L166-L171 HydrophobicContact CB-CD2 4.13Å; L166-L171 HydrophobicContact CB-CG 3.98Å; L166-L171 HydrophobicContact CD1-CD2 3.63Å; L166-L171 HydrophobicContact CD1-CG 4.38Å; S167-L171 WeakPolarHBondContact O-CG 3.39Å; S167-L171 PolarHBondContact O-N 2.78Å; S167-L171 VanDerWaalsContact O-N 3.14Å; L168-L171 CarbonylContact O-C 3.6Å; L168-L171 PolarHBondContact O-N 2.95Å; D169-L171 VanDerWaalsContact C-N 3.26Å; D169-L171 PolarHBondContact O-N 2.83Å; L171-V204 HydrophobicContact CD2-CG1 4.14Å; L171-P206 CarbonylContact O-C 3.59Å; L171-P206 WeakPolarHBondContact O-CA 3.29Å; L171-G207 PolarHBondContact O-N 2.78Å; L171-W208 HydrophobicContact CD2-CB 3.91Å; L171-V235 HydrophobicContact CD2-CG1 4.18Å; L171-E237 HydrophobicContact CD1-CG 3.76Å; L171-M298 HydrophobicContact CB-CE 3.64Å
172F96.1Very high95.9Very high20 Ų2057.1 Ų57.19%0.08829%0.291CS..Hα-helixtrans-80.4-52.5179.2-176.9-88.4000110.9L168 D169 L272 D273 M298 P299 R307L168-F172 WeakPolarHBondContact O-CB 3.37Å; L168-F172 PolarHBondContact O-N 2.78Å; D169-F172 PolarHBondContact O-N 2.84Å; F172-L272 HydrophobicContact CB-CB 4.44Å; F172-L272 HydrophobicContact CB-CD1 4.12Å; F172-L272 HydrophobicContact CD1-CB 4.26Å; F172-L272 HydrophobicContact CD2-CB 3.99Å; F172-L272 HydrophobicContact CD2-CD1 3.91Å; F172-L272 HydrophobicContact CE2-CB 4.34Å; F172-L272 HydrophobicContact CG-CB 3.97Å; F172-L272 HydrophobicContact CG-CD1 4.19Å; F172-D273 HydrophobicContact CE1-CB 3.96Å; F172-D273 HydrophobicContact CZ-CB 4.09Å; F172-M298 HydrophobicContact CB-CE 4.21Å; F172-M298 HydrophobicContact CB-SD 4.35Å; F172-M298 HydrophobicContact CD2-SD 4.12Å; F172-P299 HydrophobicContact CD2-CG 4.13Å; F172-P299 HydrophobicContact CE2-CG 4.24Å; F172-R307 VanDerWaalsContact CE2-CZ 3.49Å; F172-R307 VanDerWaalsContact CE2-NH2 3.3Å; F172-R307 VanDerWaalsContact CZ-CZ 3.41Å
173H94.7Very high95.7Very high105 Ų10552.4 Ų52.449%0.48627%0.273SS..Hα-helixtrans-85.8-20.7-178.6-60104.7000113.3D169 L272D169-H173 PolarHBondContact O-N 3.48Å; D169-H173 PolarHBondContact O-ND1 2.76Å; H173-L272 PolarHBondContact CE1-O 3.3Å
174G94.8Very high95.3Very high20 Ų2053.7 Ų53.721%0.20627%0.27CS..  trans75.6152.2-16300000111.2D170 V204D170-G174 CarbonylContact O-C 3.59Å; D170-G174 WeakPolarHBondContact O-CA 3.44Å; D170-G174 PolarHBondContact O-N 3.44Å; G174-V204 WeakPolarHBondContact CA-O 3.42Å
175C95.9Very high94.9Very high30 Ų3054.2 Ų54.220%0.20327%0.273CS..EExtended strand (participates in β ladder)trans-155.9165.6178.170.80000112D170 K177 V204D170-C175 PolarHBondContact OD1-SG 2.83Å; C175-K177 WeakPolarHBondContact SG-CE 3.49Å; C175-V204 PolarHBondContact N-O 3.33Å; C175-V204 VanDerWaalsContact N-O 3.16Å; C175-V204 WeakPolarHBondContact O-CA 3.48Å; C175-V204 VanDerWaalsContact O-CB 3.28Å; C175-V204 WeakPolarHBondContact O-CB 3.36Å; C175-V204 PolarHBondContact O-N 3.03Å
176I96.8Very high94.4Very high107 Ų10753.1 Ų53.155%0.54926%0.263SS..EExtended strand (participates in β ladder)trans-103.7116.1174.2-58.1177.6000108.2T201 I202 E203I176-T201 HydrophobicContact CG2-CG2 3.4Å; I176-I202 CarbonylContact C-O 3.22Å; I176-I202 WeakPolarHBondContact CA-O 3.32Å; I176-E203 HydrophobicContact CG1-CG 4.4Å
177K96.2Very high93.8Very high58 Ų5855.6 Ų55.625%0.25228%0.276SS..EExtended strand (participates in β ladder)trans-101.6123.5174-64.2-60.1-167.4-158.20109.9L164 L166 D170 C175 I202 V204L164-K177 HydrophobicContact CD1-CB 4.19Å; L164-K177 HydrophobicContact CD1-CG 4.16Å; L166-K177 HydrophobicContact CD2-CD 4.24Å; L166-K177 HydrophobicContact CD2-CG 3.85Å; D170-K177 IonicContact OD1-NZ 3.76Å; D170-K177 PolarHBondContact OD1-NZ 2.93Å; D170-K177 WeakPolarHBondContact OD2-CE 3.42Å; D170-K177 IonicContact OD2-NZ 2.95Å; D170-K177 PolarHBondContact OD2-NZ 3.22Å; C175-K177 WeakPolarHBondContact SG-CE 3.49Å; K177-I202 HydrophobicContact CB-CB 4.5Å; K177-I202 PolarHBondContact N-O 3.2Å; K177-I202 PolarHBondContact O-N 2.96Å; K177-V204 HydrophobicContact CG-CG2 4.27Å
178K96.3Very high93.1Very high154 Ų15464 Ų6467%0.6731%0.313SS*.EExtended strand (participates in β ladder)trans-103.4116.5174.8-67.1-178.8-177.5178.30108.8I199 L200 T201K178-I199 HydrophobicContact CB-CG2 3.84Å; K178-I199 HydrophobicContact CG-CG2 4.34Å; K178-L200 CarbonylContact C-O 3.59Å; K178-L200 WeakPolarHBondContact CA-O 3.32Å; K178-T201 HydrophobicContact CG-CG2 4.39Å
179I95.4Very high92.2Very high41 Ų4169.6 Ų69.621%0.2134%0.342CS..EExtended strand (participates in β ladder)trans-114.6124-177.6-58.4178.8000108.7L164 I181 I199 L200 I202 F233L164-I179 HydrophobicContact CD1-CD1 3.82Å; I179-I181 HydrophobicContact CG2-CG2 4.46Å; I179-I199 CarbonylContact O-C 3.55Å; I179-I199 WeakPolarHBondContact O-CA 3.39Å; I179-L200 PolarHBondContact N-O 2.93Å; I179-L200 PolarHBondContact O-N 3Å; I179-I202 HydrophobicContact CD1-CD1 3.79Å; I179-F233 HydrophobicContact CB-CE1 4.43Å; I179-F233 HydrophobicContact CB-CZ 4.23Å; I179-F233 HydrophobicContact CD1-CD1 3.68Å; I179-F233 HydrophobicContact CD1-CE1 3.36Å; I179-F233 HydrophobicContact CD1-CG 4.41Å; I179-F233 HydrophobicContact CD1-CZ 3.84Å; I179-F233 HydrophobicContact CG1-CE1 4.48Å; I179-F233 HydrophobicContact CG2-CE1 3.95Å; I179-F233 HydrophobicContact CG2-CZ 3.88Å
180K95.5Very high90.9Very high134 Ų13469.1 Ų69.158%0.58335%0.351SS*.EExtended strand (participates in β ladder)trans-82.8124.5173.4-171.1-179.3178.8-171.40109.3D197K180-D197 WeakPolarHBondContact CE-OD2 3.3Å; K180-D197 HydrophobicContact CG-CB 4.42Å; K180-D197 IonicContact NZ-OD2 2.67Å; K180-D197 PolarHBondContact NZ-OD2 2.99Å
181I93.9Very high89.7Confident17 Ų1776.4 Ų76.49%0.08738%0.384CS..EExtended strand (participates in β ladder)trans-112148.1169.163.9163.4000109.2I179 D197 K198 L200 E219 I231 F233I179-I181 HydrophobicContact CG2-CG2 4.46Å; I181-D197 CarbonylContact O-C 3.57Å; I181-D197 VanDerWaalsContact O-CA 3.32Å; I181-D197 WeakPolarHBondContact O-CA 3.38Å; I181-K198 HydrophobicContact CD1-CB 4.5Å; I181-K198 HydrophobicContact CG1-CB 4.08Å; I181-K198 WeakPolarHBondContact CG1-O 3.35Å; I181-K198 PolarHBondContact N-O 2.85Å; I181-K198 PolarHBondContact O-N 3Å; I181-L200 HydrophobicContact CD1-CD1 3.76Å; I181-L200 HydrophobicContact CD1-CD2 4.33Å; I181-L200 HydrophobicContact CD1-CG 4.01Å; I181-L200 HydrophobicContact CG1-CD1 4.24Å; I181-L200 HydrophobicContact CG1-CG 4.15Å; I181-L200 HydrophobicContact CG2-CD1 4.04Å; I181-L200 HydrophobicContact CG2-CG 4.45Å; I181-E219 HydrophobicContact CD1-CB 4.08Å; I181-I231 HydrophobicContact CD1-CD1 3.52Å; I181-I231 HydrophobicContact CG2-CD1 4.34Å; I181-F233 HydrophobicContact CG2-CZ 4.42Å
182S91.9Very high89Confident78 Ų7879.6 Ų79.655%0.54540%0.403SS..EExtended strand (participates in β ladder)trans-111.7128.1169.8-55.30000107.3D197S182-D197 WeakPolarHBondContact CB-OD1 3.24Å; S182-D197 PolarHBondContact OG-OD1 3.12Å
183R90.4Very high88.6Confident45 Ų4581 Ų8117%0.1742%0.415CS..EExtended strand (participates in β ladder)trans-134150.918067.7175.4-175.4-175.7-6.2111.2V185 I195 K196 E219 D221R183-V185 HydrophobicContact CG-CG2 3.89Å; R183-I195 WeakPolarHBondContact O-CA 3.38Å; R183-K196 PolarHBondContact N-O 3.12Å; R183-K196 PolarHBondContact O-N 3.19Å; R183-E219 WeakPolarHBondContact CD-O 3.32Å; R183-E219 IonicContact CZ-OE2 3.9Å; R183-E219 IonicContact NH1-OE2 2.93Å; R183-E219 PolarHBondContact NH1-OE2 3.29Å; R183-E219 IonicContact NH2-OE2 2.69Å; R183-D221 WeakPolarHBondContact CA-OD1 3.33Å
184R89.2Confident88.3Confident127 Ų12777.6 Ų77.648%0.47940%0.404SS..EExtended strand (participates in β ladder)trans-75.4127.6169.1-173-178.1-61.3-139.76110S193 S194 D221 Q222R184-S193 WeakPolarHBondContact CD-OG 3.48Å; R184-S193 VanDerWaalsContact CG-CB 3.49Å; R184-S194 WeakPolarHBondContact CA-O 3.41Å; R184-D221 HydrophobicContact CB-CB 4.11Å; R184-D221 PolarHBondContact N-OD1 3.38Å; R184-Q222 WeakPolarHBondContact O-CB 3.22Å; R184-Q222 WeakPolarHBondContact O-CG 3.45Å; R184-Q222 PolarHBondContact O-N 3.11Å
185V89.4Confident88.1Confident17 Ų1783 Ų8310%0.10343%0.427CS..EExtended strand (participates in β ladder)trans-122.4134.5176.8-176.60000108.6R183 S193 S194 K196R183-V185 HydrophobicContact CG-CG2 3.89Å; V185-S193 CarbonylContact O-C 3.59Å; V185-S193 WeakPolarHBondContact O-CA 3.43Å; V185-S194 PolarHBondContact N-O 2.83Å; V185-S194 PolarHBondContact O-N 3Å; V185-K196 HydrophobicContact CB-CD 4.03Å; V185-K196 HydrophobicContact CB-CG 4.33Å; V185-K196 HydrophobicContact CG1-CD 4.32Å; V185-K196 HydrophobicContact CG2-CB 3.99Å; V185-K196 HydrophobicContact CG2-CD 4.06Å; V185-K196 HydrophobicContact CG2-CG 4.2Å
186M87Confident87.8Confident44 Ų4486.6 Ų86.622%0.21744%0.439CS..EExtended strand (participates in β ladder)trans-70.5137.4175.5-67.5-63-66.100110.1G190 Q222M186-G190 WeakPolarHBondContact CE-O 3.34Å; M186-Q222 HydrophobicContact CG-CB 4.39Å
187N85.3Confident87.7Confident51 Ų5185.6 Ų85.627%0.27343%0.434SS..  trans-79.1167.6174-63-30.1000110.4D189 G190 T192 S194N187-D189 PolarHBondContact O-N 2.91Å; N187-D189 VanDerWaalsContact O-N 3.12Å; N187-G190 PolarHBondContact O-N 2.99Å; N187-T192 PolarHBondContact N-O 3.3Å; N187-T192 PolarHBondContact ND2-OG1 3.27Å; N187-S194 PolarHBondContact OD1-OG 2.8Å
188E81.6Confident87.6Confident206 Ų20686.4 Ų86.496%0.96344%0.438SS*.THydrogen-bonded Turntrans-58-26.6-178.2-63.6-178.7176.100112.7G190E188-G190 PolarHBondContact O-N 3.21Å
189D77.1Confident87.6Confident121 Ų12184.1 Ų84.165%0.64743%0.432SS*.THydrogen-bonded Turntrans-68.1-12.9178-48.1-41.8000113.7N187 E191N187-D189 PolarHBondContact O-N 2.91Å; N187-D189 VanDerWaalsContact O-N 3.12Å; D189-E191 PolarHBondContact O-N 2.94Å
190G69.8Low87.6Confident46 Ų4682.4 Ų82.447%0.47442%0.423SS..SBendtrans68.9-9.3179.100000115.8M186 N187 E188M186-G190 WeakPolarHBondContact CE-O 3.34Å; N187-G190 PolarHBondContact O-N 2.99Å; E188-G190 PolarHBondContact O-N 3.21Å
191E70.4Confident87.6Confident183 Ų18379.3 Ų79.386%0.85542%0.416SS*.SBendtrans-105.6-30.9-178.8-64.3-173168.100113.3D189D189-E191 PolarHBondContact O-N 2.94Å
192T80.8Confident87.8Confident67 Ų6778.7 Ų78.741%0.41141%0.412SS..  trans-106.9154-176.864.30000112.4N187N187-T192 PolarHBondContact N-O 3.3Å; N187-T192 PolarHBondContact ND2-OG1 3.27Å
193S87.4Confident88Confident49 Ų4981.4 Ų81.434%0.34342%0.417SS..EExtended strand (participates in β ladder)trans-128.5138.8179.369.60000111.5R184 V185R184-S193 WeakPolarHBondContact CD-OG 3.48Å; R184-S193 VanDerWaalsContact CG-CB 3.49Å; V185-S193 CarbonylContact O-C 3.59Å; V185-S193 WeakPolarHBondContact O-CA 3.43Å
194S88.2Confident88.3Confident34 Ų3479.6 Ų79.624%0.23841%0.411CS..EExtended strand (participates in β ladder)trans-117148175.755.20000111.7R184 V185 N187 K196R184-S194 WeakPolarHBondContact CA-O 3.41Å; V185-S194 PolarHBondContact N-O 2.83Å; V185-S194 PolarHBondContact O-N 3Å; N187-S194 PolarHBondContact OD1-OG 2.8Å; S194-K196 WeakPolarHBondContact OG-CE 3.41Å
195I91.3Very high88.5Confident134 Ų13480 Ų8069%0.68742%0.416SS*.EExtended strand (participates in β ladder)trans-81.6123.5171.9-61.4171.3000107.6R183R183-I195 WeakPolarHBondContact O-CA 3.38Å
196K90.8Very high88.9Confident105 Ų10581.4 Ų81.446%0.45743%0.425SS..EExtended strand (participates in β ladder)trans-123.3137.7176.4-64.2-173.1-177.61760110.1R183 V185 S194R183-K196 PolarHBondContact N-O 3.12Å; R183-K196 PolarHBondContact O-N 3.19Å; V185-K196 HydrophobicContact CB-CD 4.03Å; V185-K196 HydrophobicContact CB-CG 4.33Å; V185-K196 HydrophobicContact CG1-CD 4.32Å; V185-K196 HydrophobicContact CG2-CB 3.99Å; V185-K196 HydrophobicContact CG2-CD 4.06Å; V185-K196 HydrophobicContact CG2-CG 4.2Å; S194-K196 WeakPolarHBondContact OG-CE 3.41Å
197D93.6Very high89.2Confident86 Ų8679.3 Ų79.346%0.4642%0.415SS..EExtended strand (participates in β ladder)trans-86.5140174.2-66.4-29.8000110.7K180 I181 S182K180-D197 WeakPolarHBondContact CE-OD2 3.3Å; K180-D197 HydrophobicContact CG-CB 4.42Å; K180-D197 IonicContact NZ-OD2 2.67Å; K180-D197 PolarHBondContact NZ-OD2 2.99Å; I181-D197 CarbonylContact O-C 3.57Å; I181-D197 VanDerWaalsContact O-CA 3.32Å; I181-D197 WeakPolarHBondContact O-CA 3.38Å; S182-D197 WeakPolarHBondContact CB-OD1 3.24Å; S182-D197 PolarHBondContact OG-OD1 3.12Å
198K93.9Very high89.6Confident76 Ų7679 Ų7933%0.3341%0.41SS..EExtended strand (participates in β ladder)trans-135139.8172.7-172.6176.5177.5177.90109.4I181 L200 E219I181-K198 HydrophobicContact CD1-CB 4.5Å; I181-K198 HydrophobicContact CG1-CB 4.08Å; I181-K198 WeakPolarHBondContact CG1-O 3.35Å; I181-K198 PolarHBondContact N-O 2.85Å; I181-K198 PolarHBondContact O-N 3Å; K198-L200 HydrophobicContact CD-CD2 4.19Å; K198-L200 HydrophobicContact CG-CD2 4.37Å; K198-E219 VanDerWaalsContact CD-OE2 3.28Å; K198-E219 WeakPolarHBondContact CD-OE2 3.33Å; K198-E219 IonicContact NZ-OE1 3.42Å; K198-E219 PolarHBondContact NZ-OE1 3.45Å; K198-E219 IonicContact NZ-OE2 2.93Å; K198-E219 PolarHBondContact NZ-OE2 3.01Å
199I95.8Very high90.2Very high106 Ų10671.7 Ų71.754%0.54438%0.379SS..EExtended strand (participates in β ladder)trans-95.5121.2173.5-59.8172.1000107.8K178 I179K178-I199 HydrophobicContact CB-CG2 3.84Å; K178-I199 HydrophobicContact CG-CG2 4.34Å; I179-I199 CarbonylContact O-C 3.55Å; I179-I199 WeakPolarHBondContact O-CA 3.39Å
200L95.7Very high91Very high5 Ų570.8 Ų70.83%0.02637%0.371CS..EExtended strand (participates in β ladder)trans-95.3130.7170.3-59.3-175.8000108.7K178 I179 I181 K198 F216 E219 F233K178-L200 CarbonylContact C-O 3.59Å; K178-L200 WeakPolarHBondContact CA-O 3.32Å; I179-L200 PolarHBondContact N-O 2.93Å; I179-L200 PolarHBondContact O-N 3Å; I181-L200 HydrophobicContact CD1-CD1 3.76Å; I181-L200 HydrophobicContact CD1-CD2 4.33Å; I181-L200 HydrophobicContact CD1-CG 4.01Å; I181-L200 HydrophobicContact CG1-CD1 4.24Å; I181-L200 HydrophobicContact CG1-CG 4.15Å; I181-L200 HydrophobicContact CG2-CD1 4.04Å; I181-L200 HydrophobicContact CG2-CG 4.45Å; K198-L200 HydrophobicContact CD-CD2 4.19Å; K198-L200 HydrophobicContact CG-CD2 4.37Å; L200-F216 HydrophobicContact CB-CD1 4.36Å; L200-F216 HydrophobicContact CB-CE1 3.96Å; L200-F216 HydrophobicContact CB-CE2 4.37Å; L200-F216 HydrophobicContact CB-CZ 3.97Å; L200-F216 HydrophobicContact CD1-CB 4.12Å; L200-F216 HydrophobicContact CD1-CD1 4.01Å; L200-F216 HydrophobicContact CD1-CD2 3.93Å; L200-F216 HydrophobicContact CD1-CE1 4.4Å; L200-F216 HydrophobicContact CD1-CE2 4.32Å; L200-F216 HydrophobicContact CD1-CG 3.75Å; L200-F216 HydrophobicContact CD2-CD1 3.87Å; L200-F216 HydrophobicContact CD2-CE1 4.16Å; L200-F216 HydrophobicContact CD2-CG 4.42Å; L200-F216 HydrophobicContact CG-CD1 4.3Å; L200-F216 HydrophobicContact CG-CE1 4.39Å; L200-E219 HydrophobicContact CD2-CG 4.16Å; L200-F233 HydrophobicContact CD1-CE2 3.8Å; L200-F233 HydrophobicContact CD1-CZ 4.33Å
201T96.8Very high92.2Very high68 Ų6870.4 Ų70.442%0.41737%0.367SS..EExtended strand (participates in β ladder)trans-105123.8179.2-55.60000108.7I176 K178I176-T201 HydrophobicContact CG2-CG2 3.4Å; K178-T201 HydrophobicContact CG-CG2 4.39Å
202I97.1Very high93.3Very high4 Ų463.4 Ų63.42%0.02134%0.337CS..EExtended strand (participates in β ladder)trans-112.5119.4176.8-58.7173.1000107.6L164 I176 K177 I179 V204 W208 I214 F216 F233L164-I202 HydrophobicContact CD1-CD1 4.47Å; L164-I202 HydrophobicContact CD2-CD1 3.95Å; L164-I202 HydrophobicContact CD2-CG2 4.05Å; I176-I202 CarbonylContact C-O 3.22Å; I176-I202 WeakPolarHBondContact CA-O 3.32Å; K177-I202 HydrophobicContact CB-CB 4.5Å; K177-I202 PolarHBondContact N-O 3.2Å; K177-I202 PolarHBondContact O-N 2.96Å; I179-I202 HydrophobicContact CD1-CD1 3.79Å; I202-V204 HydrophobicContact CG2-CG2 4.24Å; I202-V204 PolarHBondContact O-N 3.36Å; I202-W208 HydrophobicContact CG2-CH2 4.09Å; I202-W208 HydrophobicContact CG2-CZ3 4.06Å; I202-I214 HydrophobicContact CG1-CG2 4.5Å; I202-I214 HydrophobicContact CG2-CG1 4.24Å; I202-I214 HydrophobicContact CG2-CG2 4.46Å; I202-F216 HydrophobicContact CD1-CE2 4.03Å; I202-F216 HydrophobicContact CD1-CZ 4.47Å; I202-F216 HydrophobicContact CG1-CE2 3.7Å; I202-F216 HydrophobicContact CG1-CZ 3.66Å; I202-F233 HydrophobicContact CD1-CB 3.92Å; I202-F233 HydrophobicContact CD1-CD1 4.24Å; I202-F233 HydrophobicContact CD1-CD2 3.66Å; I202-F233 HydrophobicContact CD1-CE2 4.2Å; I202-F233 HydrophobicContact CD1-CG 3.66Å
203E96.4Very high94.1Very high136 Ų13667.3 Ų67.364%0.63634%0.344SS*.EExtended strand (participates in β ladder)trans-90.998.7172.4-65.1177.9-173.800108.7I176 K205 W208I176-E203 HydrophobicContact CG1-CG 4.4Å; E203-K205 PolarHBondContact O-N 3.48Å; E203-W208 VanDerWaalsContact O-CH2 3.32Å; E203-W208 WeakPolarHBondContact O-CH2 3.22Å; E203-W208 WeakPolarHBondContact O-CZ2 3.4Å
204V96.1Very high94.5Very high7 Ų766.4 Ų66.44%0.04234%0.335CS..EExtended strand (participates in β ladder)trans-74.1118.6176.8179.40000108L166 L171 G174 C175 K177 I202 W208L166-V204 HydrophobicContact CD1-CB 4.44Å; L166-V204 HydrophobicContact CD1-CG1 3.76Å; L166-V204 HydrophobicContact CD1-CG2 3.77Å; L166-V204 HydrophobicContact CD2-CG2 4.19Å; L171-V204 HydrophobicContact CD2-CG1 4.14Å; G174-V204 WeakPolarHBondContact CA-O 3.42Å; C175-V204 PolarHBondContact N-O 3.33Å; C175-V204 VanDerWaalsContact N-O 3.16Å; C175-V204 WeakPolarHBondContact O-CA 3.48Å; C175-V204 VanDerWaalsContact O-CB 3.28Å; C175-V204 WeakPolarHBondContact O-CB 3.36Å; C175-V204 PolarHBondContact O-N 3.03Å; K177-V204 HydrophobicContact CG-CG2 4.27Å; I202-V204 HydrophobicContact CG2-CG2 4.24Å; I202-V204 PolarHBondContact O-N 3.36Å; V204-W208 HydrophobicContact CB-CE3 4.18Å; V204-W208 HydrophobicContact CB-CZ3 4.15Å; V204-W208 HydrophobicContact CG1-CD2 4.24Å; V204-W208 HydrophobicContact CG1-CE3 3.74Å; V204-W208 HydrophobicContact CG1-CZ3 4.22Å; V204-W208 HydrophobicContact CG2-CE3 4.28Å; V204-W208 HydrophobicContact CG2-CZ3 3.96Å
205K95Very high94.9Very high136 Ų13668.6 Ų68.659%0.59135%0.347SS*.PPolyproline II helixtrans-85.2146.4176.1-57.1-174.7177.2-177.70110.8E203 G207 W208E203-K205 PolarHBondContact O-N 3.48Å; K205-G207 PolarHBondContact O-N 3.48Å; K205-W208 HydrophobicContact CG-CZ2 4.34Å; K205-W208 PolarHBondContact O-N 3.27Å
206P95.8Very high95.1Very high45 Ų4564 Ų6429%0.29232%0.322SS..THydrogen-bonded Turntrans-50.6139171.3-27.935.4000112.2L171 W208 P299 P304L171-P206 CarbonylContact O-C 3.59Å; L171-P206 WeakPolarHBondContact O-CA 3.29Å; P206-W208 VanDerWaalsContact C-N 3.32Å; P206-W208 PolarHBondContact O-N 2.79Å; P206-P299 HydrophobicContact CB-CB 4.26Å; P206-P299 HydrophobicContact CB-CG 4.33Å; P206-P304 HydrophobicContact CB-CB 4.29Å
207G93.4Very high95.2Very high0 Ų063.6 Ų63.60%033%0.328CS..THydrogen-bonded Turntrans82.9-3.5175.400000115.5L171 K205 T209 R245 P299 P301L171-G207 PolarHBondContact O-N 2.78Å; K205-G207 PolarHBondContact O-N 3.48Å; G207-T209 PolarHBondContact O-N 2.91Å; G207-R245 PolarHBondContact O-NH2 3.22Å; G207-P299 WeakPolarHBondContact CA-O 3.29Å; G207-P301 WeakPolarHBondContact O-CG 3.27Å
208W94.9Very high95.1Very high44 Ų4465.1 Ų65.117%0.16733%0.331CS..PPolyproline II helixtrans-47.5135.6174.4-87.612.6000112L171 I202 E203 V204 K205 P206 T212 I214 V235 R245L171-W208 HydrophobicContact CD2-CB 3.91Å; I202-W208 HydrophobicContact CG2-CH2 4.09Å; I202-W208 HydrophobicContact CG2-CZ3 4.06Å; E203-W208 VanDerWaalsContact O-CH2 3.32Å; E203-W208 WeakPolarHBondContact O-CH2 3.22Å; E203-W208 WeakPolarHBondContact O-CZ2 3.4Å; V204-W208 HydrophobicContact CB-CE3 4.18Å; V204-W208 HydrophobicContact CB-CZ3 4.15Å; V204-W208 HydrophobicContact CG1-CD2 4.24Å; V204-W208 HydrophobicContact CG1-CE3 3.74Å; V204-W208 HydrophobicContact CG1-CZ3 4.22Å; V204-W208 HydrophobicContact CG2-CE3 4.28Å; V204-W208 HydrophobicContact CG2-CZ3 3.96Å; K205-W208 HydrophobicContact CG-CZ2 4.34Å; K205-W208 PolarHBondContact O-N 3.27Å; P206-W208 VanDerWaalsContact C-N 3.32Å; P206-W208 PolarHBondContact O-N 2.79Å; W208-T212 HydrophobicContact CD2-CG2 4.05Å; W208-T212 HydrophobicContact CE3-CG2 4.29Å; W208-T212 HydrophobicContact CG-CG2 4.38Å; W208-I214 HydrophobicContact CE3-CD1 4.43Å; W208-I214 HydrophobicContact CH2-CD1 4Å; W208-I214 HydrophobicContact CH2-CG1 3.69Å; W208-I214 HydrophobicContact CZ3-CD1 3.65Å; W208-I214 HydrophobicContact CZ3-CG1 3.89Å; W208-V235 HydrophobicContact CE3-CG2 3.71Å; W208-V235 HydrophobicContact CZ3-CG2 4.12Å; W208-R245 PolarHBondContact O-NH1 3.01Å; W208-R245 PolarHBondContact O-NH2 2.89Å; W208-R245 VanDerWaalsContact O-NH2 3.14Å
209T93.4Very high95Very high54 Ų5462.8 Ų62.833%0.33132%0.321SS..PPolyproline II helixtrans-97.5157.6-179.157.60000110.9G207 G211 T212 P301G207-T209 PolarHBondContact O-N 2.91Å; T209-G211 PolarHBondContact O-N 3.19Å; T209-T212 WeakPolarHBondContact O-CB 3.32Å; T209-T212 PolarHBondContact O-N 2.66Å; T209-T212 PolarHBondContact O-OG1 3.06Å; T209-P301 HydrophobicContact CG2-CG 4.34Å
210E94.3Very high94.6Very high102 Ų10257.9 Ų57.948%0.47730%0.297SS..THydrogen-bonded Turntrans-50.1140.3168.2-162.5-18017200111.5T212 V235 R236 E237E210-T212 VanDerWaalsContact C-N 3.33Å; E210-T212 PolarHBondContact O-N 2.84Å; E210-V235 WeakPolarHBondContact CG-O 3.17Å; E210-R236 IonicContact OE1-NH1 3.81Å; E210-R236 PolarHBondContact OE1-NH1 3.06Å; E210-R236 VanDerWaalsContact OE1-NH1 3.15Å; E210-E237 HydrophobicContact CB-CG 3.97Å; E210-E237 HydrophobicContact CG-CG 4.35Å; E210-E237 PolarHBondContact N-OE1 3.13Å
211G94Very high94.3Very high37 Ų3761.9 Ų61.938%0.38132%0.318SS..THydrogen-bonded Turntrans86.2-3.2179.300000114.7T209 R213 V235T209-G211 PolarHBondContact O-N 3.19Å; G211-R213 WeakPolarHBondContact O-CG 3.32Å; G211-R213 PolarHBondContact O-N 2.82Å; G211-V235 PolarHBondContact N-O 2.81Å
212T95.1Very high93.7Very high37 Ų3761.4 Ų61.423%0.22731%0.311CS..  trans-56128171.4-59.60000110W208 T209 E210 I214 V235W208-T212 HydrophobicContact CD2-CG2 4.05Å; W208-T212 HydrophobicContact CE3-CG2 4.29Å; W208-T212 HydrophobicContact CG-CG2 4.38Å; T209-T212 WeakPolarHBondContact O-CB 3.32Å; T209-T212 PolarHBondContact O-N 2.66Å; T209-T212 PolarHBondContact O-OG1 3.06Å; E210-T212 VanDerWaalsContact C-N 3.33Å; E210-T212 PolarHBondContact O-N 2.84Å; T212-I214 HydrophobicContact CG2-CD1 4.43Å; T212-V235 HydrophobicContact CG2-CG2 4.48Å; T212-V235 PolarHBondContact O-N 3.1Å
213R96.8Very high92.9Very high149 Ų14962.4 Ų62.456%0.56232%0.322SS*.EExtended strand (participates in β ladder)trans-105.9127.4-175.4-57.9177.580.8-170.36.9110.8E161 G211 V232 F233 I234E161-R213 IonicContact OE1-CZ 2.68Å; E161-R213 IonicContact OE1-NH2 2.78Å; E161-R213 PolarHBondContact OE1-NH2 2.76Å; G211-R213 WeakPolarHBondContact O-CG 3.32Å; G211-R213 PolarHBondContact O-N 2.82Å; R213-V232 HydrophobicContact CB-CG1 3.97Å; R213-V232 HydrophobicContact CG-CG1 4.4Å; R213-F233 CarbonylContact C-O 3.52Å; R213-F233 WeakPolarHBondContact CA-O 3.43Å; R213-I234 HydrophobicContact CG-CG1 4.48Å
214I96.8Very high91.7Very high30 Ų3060.6 Ų60.615%0.15432%0.323CS..EExtended strand (participates in β ladder)trans-114.1114177.4-5688.1000108L164 I202 W208 T212 F216 V232 F233 V235L164-I214 HydrophobicContact CD2-CD1 4.4Å; I202-I214 HydrophobicContact CG1-CG2 4.5Å; I202-I214 HydrophobicContact CG2-CG1 4.24Å; I202-I214 HydrophobicContact CG2-CG2 4.46Å; W208-I214 HydrophobicContact CE3-CD1 4.43Å; W208-I214 HydrophobicContact CH2-CD1 4Å; W208-I214 HydrophobicContact CH2-CG1 3.69Å; W208-I214 HydrophobicContact CZ3-CD1 3.65Å; W208-I214 HydrophobicContact CZ3-CG1 3.89Å; T212-I214 HydrophobicContact CG2-CD1 4.43Å; I214-F216 HydrophobicContact CG2-CD2 4.31Å; I214-F216 HydrophobicContact CG2-CE2 3.69Å; I214-F216 HydrophobicContact CG2-CZ 4.24Å; I214-V232 CarbonylContact O-C 3.59Å; I214-V232 WeakPolarHBondContact O-CA 3.12Å; I214-F233 HydrophobicContact CB-CB 4.32Å; I214-F233 HydrophobicContact CD1-CB 4.5Å; I214-F233 PolarHBondContact N-O 3.48Å; I214-F233 PolarHBondContact O-N 3.43Å; I214-V235 HydrophobicContact CD1-CG2 3.86Å
215V95.8Very high90.7Very high79 Ų7965.4 Ų65.448%0.47935%0.348SS..EExtended strand (participates in β ladder)trans-101.3124.1-173.9-174.10000110.5T217 D230 V232V215-T217 HydrophobicContact CG1-CG2 4.4Å; V215-D230 HydrophobicContact CG1-CB 4.11Å; V215-V232 HydrophobicContact CG1-CG2 4.38Å; V215-V232 HydrophobicContact CG2-CG1 4.35Å; V215-V232 HydrophobicContact CG2-CG2 4.17Å
216F95.1Very high89.9Confident39 Ų3960.8 Ų60.817%0.17133%0.332CS..EExtended strand (participates in β ladder)trans-107.5104.8169.3-70.1-89.5000109.3L200 I202 I214 E219 D230 I231 F233L200-F216 HydrophobicContact CB-CD1 4.36Å; L200-F216 HydrophobicContact CB-CE1 3.96Å; L200-F216 HydrophobicContact CB-CE2 4.37Å; L200-F216 HydrophobicContact CB-CZ 3.97Å; L200-F216 HydrophobicContact CD1-CB 4.12Å; L200-F216 HydrophobicContact CD1-CD1 4.01Å; L200-F216 HydrophobicContact CD1-CD2 3.93Å; L200-F216 HydrophobicContact CD1-CE1 4.4Å; L200-F216 HydrophobicContact CD1-CE2 4.32Å; L200-F216 HydrophobicContact CD1-CG 3.75Å; L200-F216 HydrophobicContact CD2-CD1 3.87Å; L200-F216 HydrophobicContact CD2-CE1 4.16Å; L200-F216 HydrophobicContact CD2-CG 4.42Å; L200-F216 HydrophobicContact CG-CD1 4.3Å; L200-F216 HydrophobicContact CG-CE1 4.39Å; I202-F216 HydrophobicContact CD1-CE2 4.03Å; I202-F216 HydrophobicContact CD1-CZ 4.47Å; I202-F216 HydrophobicContact CG1-CE2 3.7Å; I202-F216 HydrophobicContact CG1-CZ 3.66Å; I214-F216 HydrophobicContact CG2-CD2 4.31Å; I214-F216 HydrophobicContact CG2-CE2 3.69Å; I214-F216 HydrophobicContact CG2-CZ 4.24Å; F216-E219 HydrophobicContact CB-CB 4.18Å; F216-E219 HydrophobicContact CB-CG 3.7Å; F216-D230 WeakPolarHBondContact O-CA 3.43Å; F216-I231 HydrophobicContact CB-CB 4.4Å; F216-I231 PolarHBondContact N-O 3.12Å; F216-I231 PolarHBondContact O-N 2.67Å; F216-F233 AromaticContact CD2-CD2 3.64Å; F216-F233 HydrophobicContact CD2-CD2 3.64Å; F216-F233 AromaticContact CD2-CE2 3.76Å; F216-F233 HydrophobicContact CD2-CE2 3.76Å; F216-F233 AromaticContact CE2-CD2 3.58Å; F216-F233 HydrophobicContact CE2-CD2 3.58Å; F216-F233 AromaticContact CE2-CE2 3.81Å; F216-F233 HydrophobicContact CE2-CE2 3.81Å
217T94.1Very high89.3Confident95 Ų9560.7 Ų60.758%0.58333%0.329SS*.THydrogen-bonded Turntrans-70133.6-172.257.90000112V215 E219 D230V215-T217 HydrophobicContact CG1-CG2 4.4Å; T217-E219 PolarHBondContact O-N 3.15Å; T217-D230 WeakPolarHBondContact CA-OD1 3.46Å
218K90.8Very high89.1Confident118 Ų11861.7 Ų61.751%0.51334%0.335SS..THydrogen-bonded Turntrans55.829.4174.7-54.6176.6-177.7174.10114.5I227 P228 A229 D230K218-I227 HydrophobicContact CD-CG2 4.3Å; K218-I227 HydrophobicContact CG-CG2 4.25Å; K218-P228 HydrophobicContact CB-CB 4.14Å; K218-P228 HydrophobicContact CB-CG 4.49Å; K218-A229 CarbonylContact C-O 3.53Å; K218-A229 WeakPolarHBondContact CA-O 3.44Å; K218-D230 PolarHBondContact N-OD1 3.44Å
219E91.5Very high88.8Confident28 Ų2859.9 Ų59.913%0.13133%0.33CS..  trans-89.9-2.2177.3-67.4-58.716500114I181 R183 K198 L200 F216 T217 A229 I231I181-E219 HydrophobicContact CD1-CB 4.08Å; R183-E219 WeakPolarHBondContact CD-O 3.32Å; R183-E219 IonicContact CZ-OE2 3.9Å; R183-E219 IonicContact NH1-OE2 2.93Å; R183-E219 PolarHBondContact NH1-OE2 3.29Å; R183-E219 IonicContact NH2-OE2 2.69Å; K198-E219 VanDerWaalsContact CD-OE2 3.28Å; K198-E219 WeakPolarHBondContact CD-OE2 3.33Å; K198-E219 IonicContact NZ-OE1 3.42Å; K198-E219 PolarHBondContact NZ-OE1 3.45Å; K198-E219 IonicContact NZ-OE2 2.93Å; K198-E219 PolarHBondContact NZ-OE2 3.01Å; L200-E219 HydrophobicContact CD2-CG 4.16Å; F216-E219 HydrophobicContact CB-CB 4.18Å; F216-E219 HydrophobicContact CB-CG 3.7Å; T217-E219 PolarHBondContact O-N 3.15Å; E219-A229 PolarHBondContact N-O 3.39Å; E219-I231 HydrophobicContact CB-CB 4.48Å; E219-I231 HydrophobicContact CB-CD1 3.76Å; E219-I231 HydrophobicContact CB-CG1 4.1Å; E219-I231 WeakPolarHBondContact O-CD1 3.21Å
220G88.4Confident88.9Confident3 Ų358.9 Ų58.93%0.03132%0.322CS..SBendtrans-72.6-168173.900000114.5A229G220-A229 WeakPolarHBondContact CA-O 3.39Å; G220-A229 PolarHBondContact N-O 2.98Å
221D88.2Confident88.9Confident89 Ų8954.6 Ų54.648%0.47630%0.303SS..  trans-68.7136.9-179.3-75.3-21.7000112.2R183 R184R183-D221 WeakPolarHBondContact CA-OD1 3.33Å; R184-D221 HydrophobicContact CB-CB 4.11Å; R184-D221 PolarHBondContact N-OD1 3.38Å
222Q85.1Confident89Confident57 Ų5753 Ų5327%0.26629%0.286SS..  trans-95.1135.8175.4-49.2-169.5-6.800110.2R184 M186 P228R184-Q222 WeakPolarHBondContact O-CB 3.22Å; R184-Q222 WeakPolarHBondContact O-CG 3.45Å; R184-Q222 PolarHBondContact O-N 3.11Å; M186-Q222 HydrophobicContact CG-CB 4.39Å; Q222-P228 HydrophobicContact CB-CG 4.29Å; Q222-P228 HydrophobicContact CG-CB 4.4Å; Q222-P228 HydrophobicContact CG-CG 3.72Å
223G79.5Confident89.2Confident25 Ų2551.5 Ų51.526%0.25828%0.276SS..BIsolated β-bridgetrans-143164.3176.400000112.4N225 C226G223-N225 PolarHBondContact O-N 2.99Å; G223-C226 PolarHBondContact O-N 2.82Å
224P71.9Confident89.2Confident99 Ų9945.2 Ų45.264%0.64325%0.253SS*.THydrogen-bonded Turntrans-63.1122.5177.426.4-32.6000109.3C226P224-C226 VanDerWaalsContact C-N 3.29Å; P224-C226 PolarHBondContact O-N 3.29Å
225N74.8Confident89.3Confident108 Ų10843.8 Ų43.858%0.57825%0.246SC*.THydrogen-bonded Turntrans66.713.3-179.7-52.3-45.1000117V152 G223V152-N225 HydrophobicContact CG1-CB 4.22Å; G223-N225 PolarHBondContact O-N 2.99Å
226C79.3Confident89.3Confident38 Ų3844.8 Ų44.826%0.25724%0.241SC..EExtended strand (participates in β ladder)trans-109.7141171.9-171.30000110.9K155 D157 G223 P224K155-C226 PolarHBondContact O-SG 3.38Å; K155-C226 VanDerWaalsContact O-SG 3.35Å; D157-C226 PolarHBondContact OD2-SG 3.35Å; G223-C226 PolarHBondContact O-N 2.82Å; P224-C226 VanDerWaalsContact C-N 3.29Å; P224-C226 PolarHBondContact O-N 3.29Å
227I83.1Confident89.3Confident44 Ų4445.2 Ų45.223%0.22624%0.244CC..EExtended strand (participates in β ladder)trans-83.3127.9167.8-63.4165000107K154 K155 Q156 K218 A229K154-I227 HydrophobicContact CB-CD1 3.91Å; K154-I227 HydrophobicContact CB-CG1 3.73Å; K154-I227 HydrophobicContact CD-CG1 4.32Å; K155-I227 PolarHBondContact O-N 2.93Å; Q156-I227 HydrophobicContact CB-CB 3.95Å; Q156-I227 HydrophobicContact CB-CG2 4.24Å; Q156-I227 HydrophobicContact CG-CB 4.13Å; Q156-I227 HydrophobicContact CG-CG2 3.97Å; K218-I227 HydrophobicContact CD-CG2 4.3Å; K218-I227 HydrophobicContact CG-CG2 4.25Å; I227-A229 PolarHBondContact O-N 3.07Å
228P87.9Confident89.5Confident20 Ų2045.7 Ų45.713%0.1324%0.238CC..PPolyproline II helixtrans-57139.2-179.7-23.834.5000111.4K218 Q222K218-P228 HydrophobicContact CB-CB 4.14Å; K218-P228 HydrophobicContact CB-CG 4.49Å; Q222-P228 HydrophobicContact CB-CG 4.29Å; Q222-P228 HydrophobicContact CG-CB 4.4Å; Q222-P228 HydrophobicContact CG-CG 3.72Å
229A89.6Confident89.7Confident7 Ų746.4 Ų46.46%0.05826%0.255CS..PPolyproline II helixtrans-63.6156.2177.200000111.6D157 I160 K218 E219 G220 I227D157-A229 HydrophobicContact CB-CB 4.31Å; I160-A229 HydrophobicContact CD1-CB 4.18Å; I160-A229 HydrophobicContact CG1-CB 4.13Å; K218-A229 CarbonylContact C-O 3.53Å; K218-A229 WeakPolarHBondContact CA-O 3.44Å; E219-A229 PolarHBondContact N-O 3.39Å; G220-A229 WeakPolarHBondContact CA-O 3.39Å; G220-A229 PolarHBondContact N-O 2.98Å; I227-A229 PolarHBondContact O-N 3.07Å
230D94.1Very high89.9Confident32 Ų3247 Ų4717%0.17126%0.257CS..PPolyproline II helixtrans-80.8145.9170.6-61.1-23.5000109.4Q156 P159 I160 V215 F216 T217 K218Q156-D230 PolarHBondContact NE2-OD1 3.19Å; Q156-D230 PolarHBondContact NE2-OD2 3.02Å; P159-D230 CarbonylContact C-O 3.6Å; P159-D230 WeakPolarHBondContact CA-O 3.15Å; P159-D230 HydrophobicContact CB-CB 4.39Å; I160-D230 PolarHBondContact N-O 3.2Å; V215-D230 HydrophobicContact CG1-CB 4.11Å; F216-D230 WeakPolarHBondContact O-CA 3.43Å; T217-D230 WeakPolarHBondContact CA-OD1 3.46Å; K218-D230 PolarHBondContact N-OD1 3.44Å
231I94.9Very high90.1Very high12 Ų1254.4 Ų54.46%0.06229%0.291CS..EExtended strand (participates in β ladder)trans-102.1124.7171.4-62.6177.2000107.9I160 I181 F216 E219 F233I160-I231 HydrophobicContact CB-CG1 4.4Å; I160-I231 WeakPolarHBondContact O-CA 3.44Å; I181-I231 HydrophobicContact CD1-CD1 3.52Å; I181-I231 HydrophobicContact CG2-CD1 4.34Å; F216-I231 HydrophobicContact CB-CB 4.4Å; F216-I231 PolarHBondContact N-O 3.12Å; F216-I231 PolarHBondContact O-N 2.67Å; E219-I231 HydrophobicContact CB-CB 4.48Å; E219-I231 HydrophobicContact CB-CD1 3.76Å; E219-I231 HydrophobicContact CB-CG1 4.1Å; E219-I231 WeakPolarHBondContact O-CD1 3.21Å; I231-F233 HydrophobicContact CG2-CD2 4.14Å; I231-F233 HydrophobicContact CG2-CE2 3.6Å; I231-F233 HydrophobicContact CG2-CZ 3.93Å
232V97Very high90.4Very high4 Ų452.9 Ų52.92%0.02428%0.282CS..EExtended strand (participates in β ladder)trans-114.5115.8-179-174.60000108.9P159 I160 E161 R162 R213 I214 V215 I234P159-V232 HydrophobicContact CB-CG2 3.75Å; I160-V232 PolarHBondContact O-N 3.3Å; E161-V232 CarbonylContact C-O 3.6Å; E161-V232 WeakPolarHBondContact CA-O 3.47Å; E161-V232 HydrophobicContact CG-CB 4.38Å; R162-V232 PolarHBondContact N-O 3.29Å; R213-V232 HydrophobicContact CB-CG1 3.97Å; R213-V232 HydrophobicContact CG-CG1 4.4Å; I214-V232 CarbonylContact O-C 3.59Å; I214-V232 WeakPolarHBondContact O-CA 3.12Å; V215-V232 HydrophobicContact CG1-CG2 4.38Å; V215-V232 HydrophobicContact CG2-CG1 4.35Å; V215-V232 HydrophobicContact CG2-CG2 4.17Å; V232-I234 HydrophobicContact CG1-CG1 4.35Å
233F97.9Very high91Very high6 Ų650.4 Ų50.43%0.02627%0.271CS..EExtended strand (participates in β ladder)trans-89130.4169.6-68.4-83.8000110.1R162 L164 I179 I181 L200 I202 R213 I214 F216 I231R162-F233 HydrophobicContact CB-CD1 3.74Å; R162-F233 HydrophobicContact CB-CE1 3.75Å; R162-F233 HydrophobicContact CG-CE1 4.34Å; R162-F233 CarbonylContact O-C 3.53Å; R162-F233 VanDerWaalsContact O-CA 3.24Å; R162-F233 WeakPolarHBondContact O-CA 3.21Å; L164-F233 HydrophobicContact CB-CB 4.24Å; L164-F233 HydrophobicContact CB-CD1 4.5Å; I179-F233 HydrophobicContact CB-CE1 4.43Å; I179-F233 HydrophobicContact CB-CZ 4.23Å; I179-F233 HydrophobicContact CD1-CD1 3.68Å; I179-F233 HydrophobicContact CD1-CE1 3.36Å; I179-F233 HydrophobicContact CD1-CG 4.41Å; I179-F233 HydrophobicContact CD1-CZ 3.84Å; I179-F233 HydrophobicContact CG1-CE1 4.48Å; I179-F233 HydrophobicContact CG2-CE1 3.95Å; I179-F233 HydrophobicContact CG2-CZ 3.88Å; I181-F233 HydrophobicContact CG2-CZ 4.42Å; L200-F233 HydrophobicContact CD1-CE2 3.8Å; L200-F233 HydrophobicContact CD1-CZ 4.33Å; I202-F233 HydrophobicContact CD1-CB 3.92Å; I202-F233 HydrophobicContact CD1-CD1 4.24Å; I202-F233 HydrophobicContact CD1-CD2 3.66Å; I202-F233 HydrophobicContact CD1-CE2 4.2Å; I202-F233 HydrophobicContact CD1-CG 3.66Å; R213-F233 CarbonylContact C-O 3.52Å; R213-F233 WeakPolarHBondContact CA-O 3.43Å; I214-F233 HydrophobicContact CB-CB 4.32Å; I214-F233 HydrophobicContact CD1-CB 4.5Å; I214-F233 PolarHBondContact N-O 3.48Å; I214-F233 PolarHBondContact O-N 3.43Å; F216-F233 AromaticContact CD2-CD2 3.64Å; F216-F233 HydrophobicContact CD2-CD2 3.64Å; F216-F233 AromaticContact CD2-CE2 3.76Å; F216-F233 HydrophobicContact CD2-CE2 3.76Å; F216-F233 AromaticContact CE2-CD2 3.58Å; F216-F233 HydrophobicContact CE2-CD2 3.58Å; F216-F233 AromaticContact CE2-CE2 3.81Å; F216-F233 HydrophobicContact CE2-CE2 3.81Å; I231-F233 HydrophobicContact CG2-CD2 4.14Å; I231-F233 HydrophobicContact CG2-CE2 3.6Å; I231-F233 HydrophobicContact CG2-CZ 3.93Å
234I97.8Very high91.8Very high17 Ų1753.4 Ų53.49%0.08728%0.284CS..EExtended strand (participates in β ladder)trans-110.7120.7179.2-55.9176.5000107.8E161 R162 L164 R213 V232 R236E161-I234 HydrophobicContact CB-CD1 4.1Å; E161-I234 HydrophobicContact CG-CD1 4.36Å; R162-I234 PolarHBondContact O-N 2.92Å; L164-I234 PolarHBondContact N-O 3.48Å; R213-I234 HydrophobicContact CG-CG1 4.48Å; V232-I234 HydrophobicContact CG1-CG1 4.35Å; I234-R236 PolarHBondContact O-N 3.05Å
235V97.6Very high92.9Very high0 Ų049.8 Ų49.80%026%0.258CS..EExtended strand (participates in β ladder)trans-63126.8177.31720000110.2L164 L166 L171 W208 E210 G211 T212 I214L164-V235 HydrophobicContact CD2-CG2 4.28Å; L166-V235 HydrophobicContact CD1-CG1 3.99Å; L166-V235 HydrophobicContact CD1-CG2 4.2Å; L171-V235 HydrophobicContact CD2-CG1 4.18Å; W208-V235 HydrophobicContact CE3-CG2 3.71Å; W208-V235 HydrophobicContact CZ3-CG2 4.12Å; E210-V235 WeakPolarHBondContact CG-O 3.17Å; G211-V235 PolarHBondContact N-O 2.81Å; T212-V235 HydrophobicContact CG2-CG2 4.48Å; T212-V235 PolarHBondContact O-N 3.1Å; I214-V235 HydrophobicContact CD1-CG2 3.86Å
236R96.8Very high93.8Very high100 Ų10049.3 Ų49.338%0.37725%0.252SS..EExtended strand (participates in β ladder)trans-121.8130.4173.4-64.2-58.3-174.2176.8-1.8110D163 L164 P165 L166 E210 I234D163-R236 HydrophobicContact CB-CG 3.75Å; D163-R236 WeakPolarHBondContact OD1-CG 3.42Å; D163-R236 IonicContact OD1-CZ 2.76Å; D163-R236 IonicContact OD1-NE 3.15Å; D163-R236 PolarHBondContact OD1-NE 3.49Å; D163-R236 IonicContact OD1-NH2 3.84Å; L164-R236 PolarHBondContact O-N 3Å; P165-R236 CarbonylContact C-O 3.51Å; P165-R236 VanDerWaalsContact CA-O 3.31Å; P165-R236 WeakPolarHBondContact CA-O 3.15Å; L166-R236 PolarHBondContact N-O 3.43Å; E210-R236 IonicContact OE1-NH1 3.81Å; E210-R236 PolarHBondContact OE1-NH1 3.06Å; E210-R236 VanDerWaalsContact OE1-NH1 3.15Å; I234-R236 PolarHBondContact O-N 3.05Å
237E95.9Very high94.4Very high48 Ų4854.5 Ų54.522%0.22428%0.276CS..EExtended strand (participates in β ladder)trans-83.5130.5179.1-60.2-170.717600110.3L171 E210 R245L171-E237 HydrophobicContact CD1-CG 3.76Å; E210-E237 HydrophobicContact CB-CG 3.97Å; E210-E237 HydrophobicContact CG-CG 4.35Å; E210-E237 PolarHBondContact N-OE1 3.13Å; E237-R245 VanDerWaalsContact OE1-CD 3.28Å; E237-R245 WeakPolarHBondContact OE1-CD 3.4Å; E237-R245 IonicContact OE1-CZ 2.91Å; E237-R245 IonicContact OE1-NE 2.73Å; E237-R245 IonicContact OE1-NH1 3.45Å; E237-R245 PolarHBondContact OE1-NH1 3.24Å; E237-R245 VanDerWaalsContact OE2-CD 3.32Å; E237-R245 WeakPolarHBondContact OE2-CD 3.46Å
238K96.5Very high94.9Very high104 Ų10453.5 Ų53.545%0.45227%0.273SS..PPolyproline II helixtrans-79.1140.7172.5-68.3179.2-178.4175.20109.6P165 L166 H240P165-K238 HydrophobicContact CB-CG 4.17Å; P165-K238 WeakPolarHBondContact O-CE 3.5Å; L166-K238 PolarHBondContact O-N 3.45Å; K238-H240 PolarHBondContact O-N 3.14Å
239P96.5Very high95.3Very high134 Ų13454.6 Ų54.687%0.8728%0.278SS*.PPolyproline II helixtrans-55131.1170.1-24.534000111.1
240H95.4Very high95.6Very high41 Ų4154.4 Ų54.419%0.1928%0.276CS..  trans-104.7149.7176.2-172.3-94.2000110.5L168 K238 L242 F243L168-H240 HydrophobicContact CD1-CB 3.56Å; L168-H240 HydrophobicContact CG-CB 4.04Å; K238-H240 PolarHBondContact O-N 3.14Å; H240-L242 PolarHBondContact ND1-N 3.18Å; H240-F243 WeakPolarHBondContact CB-O 3.29Å; H240-F243 AromaticContact CE1-CD2 3.49Å; H240-F243 VanDerWaalsContact CE1-CD2 3.49Å; H240-F243 WeakPolarHBondContact CE1-CD2 3.27Å; H240-F243 AromaticContact ND1-CD2 3.49Å; H240-F243 WeakPolarHBondContact ND1-CD2 3.38Å; H240-F243 AromaticContact ND1-CG 3.99Å; H240-F243 PolarHBondContact ND1-N 2.94Å
241H93.1Very high95.8Very high158 Ų15854.5 Ų54.573%0.73128%0.276SS*.SBendtrans-75.2-30.3-172.161.5104.3000113.7
242L93.9Very high95.9Very high57 Ų5755.8 Ų55.830%0.29828%0.28SS..SBendtrans-105.9-26.8179.7-60.4177.1000114.4H240 Y252H240-L242 PolarHBondContact ND1-N 3.18Å; L242-Y252 HydrophobicContact CB-CD2 4.16Å; L242-Y252 HydrophobicContact CB-CE2 4.06Å; L242-Y252 HydrophobicContact CD2-CE2 4.21Å; L242-Y252 HydrophobicContact CG-CE2 4.5Å; L242-Y252 WeakPolarHBondContact O-CD2 3.48Å
243F96.8Very high95.9Very high5 Ų561.5 Ų61.52%0.02231%0.305CS..EExtended strand (participates in β ladder)trans-126.1140.4-162.7-61.2-61.2000110.6L168 H240 L250 L251 Y252 V269 E270 L272 L310L168-F243 HydrophobicContact CD1-CB 3.79Å; H240-F243 WeakPolarHBondContact CB-O 3.29Å; H240-F243 AromaticContact CE1-CD2 3.49Å; H240-F243 VanDerWaalsContact CE1-CD2 3.49Å; H240-F243 WeakPolarHBondContact CE1-CD2 3.27Å; H240-F243 AromaticContact ND1-CD2 3.49Å; H240-F243 WeakPolarHBondContact ND1-CD2 3.38Å; H240-F243 AromaticContact ND1-CG 3.99Å; H240-F243 PolarHBondContact ND1-N 2.94Å; F243-L250 HydrophobicContact CB-CD2 4.35Å; F243-L250 HydrophobicContact CD1-CB 4.41Å; F243-L251 CarbonylContact C-O 3.35Å; F243-L251 WeakPolarHBondContact CA-O 3.49Å; F243-Y252 HydrophobicContact CD1-CD2 4.03Å; F243-Y252 AromaticContact CE1-CD2 3.64Å; F243-Y252 HydrophobicContact CE1-CD2 3.64Å; F243-Y252 HydrophobicContact CE1-CG 4.24Å; F243-Y252 HydrophobicContact CZ-CD2 4.36Å; F243-V269 HydrophobicContact CE1-CG1 3.94Å; F243-V269 HydrophobicContact CZ-CG1 3.82Å; F243-E270 WeakPolarHBondContact CE2-O 3.28Å; F243-E270 WeakPolarHBondContact CZ-O 3.49Å; F243-L272 HydrophobicContact CD2-CD2 3.81Å; F243-L272 HydrophobicContact CD2-CG 4.21Å; F243-L272 HydrophobicContact CE2-CD2 4.03Å; F243-L272 HydrophobicContact CE2-CG 4.26Å; F243-L310 HydrophobicContact CD1-CD1 4.17Å; F243-L310 HydrophobicContact CE1-CD1 3.81Å
244T96Very high95.8Very high87 Ų8761.4 Ų61.453%0.53431%0.306SS..EExtended strand (participates in β ladder)trans-117.8121.8166.5-59.20000107.8L251T244-L251 PolarHBondContact N-O 3.49Å; T244-L251 VanDerWaalsContact O-CB 3.27Å; T244-L251 WeakPolarHBondContact O-CB 3.39Å; T244-L251 PolarHBondContact O-N 2.8Å
245R95.6Very high95.7Very high24 Ų2469.5 Ų69.59%0.09134%0.335CS..EExtended strand (participates in β ladder)trans-76.4139.2-179.8-172.3-178.6178.8177.62.8110.9L168 G207 W208 E237 L247 L250 M298L168-R245 HydrophobicContact CD2-CB 3.87Å; L168-R245 HydrophobicContact CD2-CG 4.48Å; G207-R245 PolarHBondContact O-NH2 3.22Å; W208-R245 PolarHBondContact O-NH1 3.01Å; W208-R245 PolarHBondContact O-NH2 2.89Å; W208-R245 VanDerWaalsContact O-NH2 3.14Å; E237-R245 VanDerWaalsContact OE1-CD 3.28Å; E237-R245 WeakPolarHBondContact OE1-CD 3.4Å; E237-R245 IonicContact OE1-CZ 2.91Å; E237-R245 IonicContact OE1-NE 2.73Å; E237-R245 IonicContact OE1-NH1 3.45Å; E237-R245 PolarHBondContact OE1-NH1 3.24Å; E237-R245 VanDerWaalsContact OE2-CD 3.32Å; E237-R245 WeakPolarHBondContact OE2-CD 3.46Å; R245-L247 PolarHBondContact NE-O 3.15Å; R245-L247 PolarHBondContact NH2-O 2.95Å; R245-L250 HydrophobicContact CB-CD2 4.27Å; R245-L250 HydrophobicContact CG-CD2 4.41Å; R245-M298 HydrophobicContact CG-CG 4.13Å
246Q93.7Very high95.6Very high97 Ų9769.9 Ų69.945%0.45334%0.337SS..EExtended strand (participates in β ladder)trans-129.193.9169.6-66.4-173.1-8.700108.2S248 D249Q246-S248 PolarHBondContact O-N 3.33Å; Q246-D249 PolarHBondContact N-O 3.07Å; Q246-D249 PolarHBondContact O-N 3.01Å
247L91.4Very high95.6Very high148 Ų14866.9 Ų66.978%0.77533%0.331SS*.THydrogen-bonded Turntrans59.4-95.5-174.2-58.4171.2000112.8R245R245-L247 PolarHBondContact NE-O 3.15Å; R245-L247 PolarHBondContact NH2-O 2.95Å
248S93.8Very high95.6Very high22 Ų2266.7 Ų66.715%0.15433%0.332CS..THydrogen-bonded Turntrans-111.2-9.3175.4-64.60000112.5Q246 M298 L300 G308Q246-S248 PolarHBondContact O-N 3.33Å; S248-M298 WeakPolarHBondContact O-CB 3.39Å; S248-M298 PolarHBondContact O-N 3.43Å; S248-L300 WeakPolarHBondContact OG-CD2 3.2Å; S248-G308 WeakPolarHBondContact O-CA 3.42Å
249D96.8Very high95.5Very high44 Ų4468.1 Ų68.124%0.23534%0.34CS..EExtended strand (participates in β ladder)trans-89.3151.6178.4-63.1-20.9000110.4Q246 N309 I311Q246-D249 PolarHBondContact N-O 3.07Å; Q246-D249 PolarHBondContact O-N 3.01Å; D249-N309 CarbonylContact C-O 3.52Å; D249-N309 WeakPolarHBondContact CA-O 3.5Å; D249-N309 WeakPolarHBondContact CB-O 3.24Å; D249-N309 PolarHBondContact OD1-N 3.22Å; D249-N309 PolarHBondContact OD1-ND2 2.78Å; D249-I311 HydrophobicContact CB-CD1 4.02Å
250L96.9Very high95.5Very high3 Ų365.5 Ų65.52%0.01632%0.317CS..EExtended strand (participates in β ladder)trans-111127.5173.5-68.3176.9000109.1L168 F243 R245 L272 M298 N309 L310 I311L168-L250 HydrophobicContact CD1-CD2 4.19Å; F243-L250 HydrophobicContact CB-CD2 4.35Å; F243-L250 HydrophobicContact CD1-CB 4.41Å; R245-L250 HydrophobicContact CB-CD2 4.27Å; R245-L250 HydrophobicContact CG-CD2 4.41Å; L250-L272 HydrophobicContact CD1-CD1 3.67Å; L250-L272 HydrophobicContact CD1-CG 4.2Å; L250-L272 HydrophobicContact CD2-CD1 4.48Å; L250-M298 HydrophobicContact CD1-CG 4.43Å; L250-M298 HydrophobicContact CD1-SD 4.31Å; L250-M298 HydrophobicContact CD2-CG 3.66Å; L250-M298 HydrophobicContact CD2-SD 3.87Å; L250-M298 HydrophobicContact CG-CG 3.98Å; L250-M298 HydrophobicContact CG-SD 4.38Å; L250-N309 PolarHBondContact N-O 3.22Å; L250-L310 HydrophobicContact CB-CD1 3.99Å; L250-L310 CarbonylContact O-C 3.57Å; L250-L310 WeakPolarHBondContact O-CA 3.46Å; L250-I311 PolarHBondContact O-N 2.98Å
251L97.6Very high95.5Very high34 Ų3463.6 Ų63.618%0.17831%0.308CS..EExtended strand (participates in β ladder)trans-96.1124.2173.4-174.571.2000109.2F243 T244 I311 T313F243-L251 CarbonylContact C-O 3.35Å; F243-L251 WeakPolarHBondContact CA-O 3.49Å; T244-L251 PolarHBondContact N-O 3.49Å; T244-L251 VanDerWaalsContact O-CB 3.27Å; T244-L251 WeakPolarHBondContact O-CB 3.39Å; T244-L251 PolarHBondContact O-N 2.8Å; L251-I311 WeakPolarHBondContact CA-O 3.37Å; L251-I311 HydrophobicContact CD1-CB 4.17Å; L251-I311 HydrophobicContact CD1-CG2 4.04Å; L251-T313 HydrophobicContact CD1-CG2 3.56Å
252Y97.4Very high95.6Very high38 Ų3859.9 Ų59.915%0.14929%0.293CS..EExtended strand (participates in β ladder)trans-112.3129171.5-179.5-95.4000109.3L242 F243 A254 V267 V269 I311 L312 T313L242-Y252 HydrophobicContact CB-CD2 4.16Å; L242-Y252 HydrophobicContact CB-CE2 4.06Å; L242-Y252 HydrophobicContact CD2-CE2 4.21Å; L242-Y252 HydrophobicContact CG-CE2 4.5Å; L242-Y252 WeakPolarHBondContact O-CD2 3.48Å; F243-Y252 HydrophobicContact CD1-CD2 4.03Å; F243-Y252 AromaticContact CE1-CD2 3.64Å; F243-Y252 HydrophobicContact CE1-CD2 3.64Å; F243-Y252 HydrophobicContact CE1-CG 4.24Å; F243-Y252 HydrophobicContact CZ-CD2 4.36Å; Y252-A254 HydrophobicContact CD1-CB 4.18Å; Y252-A254 HydrophobicContact CE1-CB 3.76Å; Y252-V267 HydrophobicContact CE1-CG1 4.07Å; Y252-V269 HydrophobicContact CD1-CG2 4.02Å; Y252-V269 HydrophobicContact CD2-CG1 4.02Å; Y252-V269 HydrophobicContact CE1-CG2 3.81Å; Y252-V269 HydrophobicContact CE2-CG1 4.07Å; Y252-V269 HydrophobicContact CE2-CG2 4.39Å; Y252-V269 HydrophobicContact CG-CG1 4.39Å; Y252-V269 HydrophobicContact CG-CG2 4.4Å; Y252-I311 PolarHBondContact N-O 3.23Å; Y252-L312 HydrophobicContact CD1-CD2 4.49Å; Y252-L312 HydrophobicContact CD1-CG 4.32Å; Y252-L312 WeakPolarHBondContact O-CA 3.38Å; Y252-T313 PolarHBondContact O-N 3.16Å; Y252-T313 PolarHBondContact O-OG1 3.15Å
253K96.2Very high95.6Very high124 Ų12462 Ų6254%0.53931%0.308SS..EExtended strand (participates in β ladder)trans-106.798.9179.3-169.9177.3174.5-172.20109.8T313 D315K253-T313 CarbonylContact C-O 3.55Å; K253-T313 WeakPolarHBondContact CA-O 3.4Å; K253-D315 WeakPolarHBondContact CE-OD2 3.46Å; K253-D315 IonicContact NZ-OD2 3.1Å; K253-D315 PolarHBondContact NZ-OD2 3.14Å
254A95.9Very high95.4Very high5 Ų562.8 Ų62.84%0.04132%0.318CS..EExtended strand (participates in β ladder)trans-79.9136.3176.200000110.2Y252 I256 T313 F314 D315Y252-A254 HydrophobicContact CD1-CB 4.18Å; Y252-A254 HydrophobicContact CE1-CB 3.76Å; A254-I256 HydrophobicContact CB-CG2 4.35Å; A254-T313 PolarHBondContact N-O 2.81Å; A254-F314 HydrophobicContact CB-CD1 3.75Å; A254-F314 HydrophobicContact CB-CE1 3.96Å; A254-F314 CarbonylContact O-C 3.55Å; A254-F314 WeakPolarHBondContact O-CA 3.33Å; A254-D315 PolarHBondContact O-N 3.21Å
255R95.8Very high95.4Very high187 Ų18760 Ų6071%0.70630%0.299SS*.EExtended strand (participates in β ladder)trans-97.9127.9169.1-62.5-171.3-178.7-175.51.4109.1D315R255-D315 HydrophobicContact CG-CB 4.13Å
256I96.6Very high95.5Very high7 Ų762.3 Ų62.34%0.03632%0.319CS..EExtended strand (participates in β ladder)trans-136.7150.7-174.166.8171.7000110.2A254 M260 A261 F265 V285 F314 D315 I316 E317A254-I256 HydrophobicContact CB-CG2 4.35Å; I256-M260 HydrophobicContact CB-CB 4.42Å; I256-A261 HydrophobicContact CD1-CB 3.77Å; I256-A261 HydrophobicContact CG1-CB 4.49Å; I256-F265 HydrophobicContact CB-CE2 4.39Å; I256-F265 HydrophobicContact CB-CZ 4.3Å; I256-F265 HydrophobicContact CD1-CE1 3.85Å; I256-F265 HydrophobicContact CD1-CZ 3.64Å; I256-F265 HydrophobicContact CG2-CD2 4.31Å; I256-F265 HydrophobicContact CG2-CE2 3.44Å; I256-F265 VanDerWaalsContact CG2-CE2 3.44Å; I256-F265 HydrophobicContact CG2-CZ 3.62Å; I256-V285 HydrophobicContact CD1-CB 4.09Å; I256-V285 HydrophobicContact CD1-CG1 3.82Å; I256-V285 HydrophobicContact CD1-CG2 4.48Å; I256-F314 HydrophobicContact CD1-CB 3.95Å; I256-F314 HydrophobicContact CD1-CD1 3.89Å; I256-F314 HydrophobicContact CD1-CG 4.16Å; I256-F314 HydrophobicContact CG1-CB 4.32Å; I256-F314 HydrophobicContact CG1-CD1 4.48Å; I256-F314 HydrophobicContact CG2-CD1 4.02Å; I256-D315 PolarHBondContact N-O 3.09Å; I256-I316 HydrophobicContact CD1-CG1 4.25Å; I256-I316 HydrophobicContact CG1-CG1 4.18Å; I256-I316 WeakPolarHBondContact O-CA 3.32Å; I256-E317 PolarHBondContact O-N 3.27Å
257S96.8Very high95.6Very high38 Ų3858.3 Ų58.327%0.26630%0.301SS..EExtended strand (participates in β ladder)trans-76.7157.5172.269.90000111E259 M260 A261S257-E259 PolarHBondContact O-N 3.22Å; S257-M260 PolarHBondContact O-N 3.09Å; S257-M260 WeakPolarHBondContact OG-CG 3.44Å; S257-M260 PolarHBondContact OG-N 2.94Å; S257-A261 PolarHBondContact O-N 3.35Å
258L95.1Very high95.8Very high44 Ų4455.2 Ų55.223%0.2329%0.288CS..Hα-helixtrans-55.7-35171.8-179.864.1000112.7A261 L262 I316 E317 F318L258-A261 PolarHBondContact O-N 3.49Å; L258-L262 HydrophobicContact CD1-CD1 4.06Å; L258-L262 HydrophobicContact CD1-CG 4.22Å; L258-L262 HydrophobicContact CG-CD1 4.06Å; L258-L262 WeakPolarHBondContact O-CG 3.41Å; L258-L262 PolarHBondContact O-N 2.84Å; L258-I316 HydrophobicContact CB-CG2 4.36Å; L258-I316 HydrophobicContact CD1-CG2 4.21Å; L258-E317 PolarHBondContact N-O 3.47Å; L258-E317 VanDerWaalsContact N-O 3.11Å; L258-F318 HydrophobicContact CD1-CE1 3.95Å; L258-F318 HydrophobicContact CD1-CE2 4.32Å; L258-F318 HydrophobicContact CD1-CZ 3.82Å; L258-F318 HydrophobicContact CD2-CD1 3.75Å; L258-F318 HydrophobicContact CD2-CE1 3.68Å; L258-F318 HydrophobicContact CD2-CZ 4.39Å; L258-F318 HydrophobicContact CG-CE1 4.38Å
259E94.3Very high95.9Very high133 Ų13354.1 Ų54.162%0.62128%0.28SS*.Hα-helixtrans-59.3-56.9175.4179.7-147.7172.200110.4S257 A261 L262 T263S257-E259 PolarHBondContact O-N 3.22Å; E259-A261 PolarHBondContact O-N 3.44Å; E259-L262 PolarHBondContact O-N 3.25Å; E259-T263 HydrophobicContact CG-CG2 4.38Å; E259-T263 PolarHBondContact O-N 2.83Å; E259-T263 PolarHBondContact O-OG1 3.18Å
260M95.8Very high95.8Very high80 Ų8056.9 Ų56.939%0.39429%0.292SS..Hα-helixtrans-55.3-41.1179-69.3176.1-171.100111.3I256 S257 L262 G264 F265I256-M260 HydrophobicContact CB-CB 4.42Å; S257-M260 PolarHBondContact O-N 3.09Å; S257-M260 WeakPolarHBondContact OG-CG 3.44Å; S257-M260 PolarHBondContact OG-N 2.94Å; M260-L262 PolarHBondContact O-N 2.68Å; M260-G264 PolarHBondContact O-N 3.02Å; M260-F265 HydrophobicContact CB-CB 4.05Å; M260-F265 HydrophobicContact CB-CD1 3.87Å; M260-F265 HydrophobicContact CB-CE1 4.47Å; M260-F265 HydrophobicContact CB-CG 3.91Å; M260-F265 HydrophobicContact CG-CB 4.2Å; M260-F265 HydrophobicContact CG-CG 4.46Å; M260-F265 WeakPolarHBondContact O-CD1 3.35Å
261A96.3Very high95.7Very high0 Ų057.1 Ų57.10%029%0.293CS..Hα-helixtrans-61.6-29.5178.500000113.7I256 S257 L258 E259 I284 V285 I316I256-A261 HydrophobicContact CD1-CB 3.77Å; I256-A261 HydrophobicContact CG1-CB 4.49Å; S257-A261 PolarHBondContact O-N 3.35Å; L258-A261 PolarHBondContact O-N 3.49Å; E259-A261 PolarHBondContact O-N 3.44Å; A261-I284 WeakPolarHBondContact O-CA 3.2Å; A261-V285 HydrophobicContact CB-CB 4.13Å; A261-V285 PolarHBondContact O-N 2.97Å; A261-I316 HydrophobicContact CB-CD1 4.32Å; A261-I316 HydrophobicContact CB-CG1 4.43Å; A261-I316 HydrophobicContact CB-CG2 4.21Å
262L94.7Very high95.4Very high81 Ų8155.7 Ų55.742%0.42429%0.286SS..Hα-helixtrans-98.6-29.8-177.3-66.1176.6000113.8L258 E259 M260 I284L258-L262 HydrophobicContact CD1-CD1 4.06Å; L258-L262 HydrophobicContact CD1-CG 4.22Å; L258-L262 HydrophobicContact CG-CD1 4.06Å; L258-L262 WeakPolarHBondContact O-CG 3.41Å; L258-L262 PolarHBondContact O-N 2.84Å; E259-L262 PolarHBondContact O-N 3.25Å; M260-L262 PolarHBondContact O-N 2.68Å; L262-I284 HydrophobicContact CD2-CG2 3.97Å
263T93.4Very high95.2Very high100 Ų10056.5 Ų56.561%0.61329%0.293SS*.Hα-helixtrans-101.7-14.8-17459.50000113.9E259E259-T263 HydrophobicContact CG-CG2 4.38Å; E259-T263 PolarHBondContact O-N 2.83Å; E259-T263 PolarHBondContact O-OG1 3.18Å
264G93.7Very high94.9Very high22 Ų2256.7 Ų56.723%0.22730%0.299CS..  trans90.7151.3-175.600000112.8M260 I281M260-G264 PolarHBondContact O-N 3.02Å; G264-I281 CarbonylContact C-O 3.52Å; G264-I281 WeakPolarHBondContact CA-O 3.4Å
265F96.3Very high94.7Very high30 Ų3061 Ų6113%0.13232%0.317CS..EExtended strand (participates in β ladder)trans-161.5173.9-173.464.4-70.5000110.5I256 M260 V267 I281 V285 F314I256-F265 HydrophobicContact CB-CE2 4.39Å; I256-F265 HydrophobicContact CB-CZ 4.3Å; I256-F265 HydrophobicContact CD1-CE1 3.85Å; I256-F265 HydrophobicContact CD1-CZ 3.64Å; I256-F265 HydrophobicContact CG2-CD2 4.31Å; I256-F265 HydrophobicContact CG2-CE2 3.44Å; I256-F265 VanDerWaalsContact CG2-CE2 3.44Å; I256-F265 HydrophobicContact CG2-CZ 3.62Å; M260-F265 HydrophobicContact CB-CB 4.05Å; M260-F265 HydrophobicContact CB-CD1 3.87Å; M260-F265 HydrophobicContact CB-CE1 4.47Å; M260-F265 HydrophobicContact CB-CG 3.91Å; M260-F265 HydrophobicContact CG-CB 4.2Å; M260-F265 HydrophobicContact CG-CG 4.46Å; M260-F265 WeakPolarHBondContact O-CD1 3.35Å; F265-V267 HydrophobicContact CD2-CG2 3.95Å; F265-V267 HydrophobicContact CE2-CG2 3.32Å; F265-V267 HydrophobicContact CZ-CG2 4.15Å; F265-I281 HydrophobicContact CD1-CB 4.19Å; F265-I281 HydrophobicContact CE1-CB 3.91Å; F265-I281 HydrophobicContact CE1-CG1 4.38Å; F265-I281 HydrophobicContact CE1-CG2 3.94Å; F265-I281 HydrophobicContact CZ-CB 4.23Å; F265-I281 HydrophobicContact CZ-CG1 4.18Å; F265-I281 HydrophobicContact CZ-CG2 4.41Å; F265-I281 PolarHBondContact N-O 3.13Å; F265-I281 PolarHBondContact O-N 3.29Å; F265-V285 HydrophobicContact CE1-CG2 3.91Å; F265-V285 HydrophobicContact CZ-CG2 4.41Å; F265-F314 HydrophobicContact CE2-CD1 4.49Å; F265-F314 HydrophobicContact CE2-CE1 4.08Å; F265-F314 AromaticContact CZ-CD1 3.87Å; F265-F314 HydrophobicContact CZ-CD1 3.87Å; F265-F314 AromaticContact CZ-CE1 3.58Å; F265-F314 HydrophobicContact CZ-CE1 3.58Å; F265-F314 HydrophobicContact CZ-CZ 4.43Å
266S96.5Very high94.7Very high72 Ų7257.7 Ų57.750%0.50331%0.313SS..EExtended strand (participates in β ladder)trans-118.7129.1171.9-65.10000110.2I279S266-I279 WeakPolarHBondContact CA-O 3.28Å
267V96.1Very high94.6Very high12 Ų1258.3 Ų58.37%0.07332%0.317CS..EExtended strand (participates in β ladder)trans-90.3131.1173-173.60000108.5Y252 F265 V269 I279 I281 L312 F314Y252-V267 HydrophobicContact CE1-CG1 4.07Å; F265-V267 HydrophobicContact CD2-CG2 3.95Å; F265-V267 HydrophobicContact CE2-CG2 3.32Å; F265-V267 HydrophobicContact CZ-CG2 4.15Å; V267-V269 HydrophobicContact CG1-CG2 3.58Å; V267-I279 PolarHBondContact N-O 2.69Å; V267-I279 PolarHBondContact O-N 2.62Å; V267-I281 HydrophobicContact CG2-CG1 4.35Å; V267-L312 HydrophobicContact CB-CD2 4.12Å; V267-L312 HydrophobicContact CG1-CD2 4.05Å; V267-L312 HydrophobicContact CG2-CD2 4.18Å; V267-F314 HydrophobicContact CG2-CE1 3.97Å
268V96.3Very high94.6Very high83 Ų8361.1 Ų61.150%0.50333%0.332SS..EExtended strand (participates in β ladder)trans-101.8120.7168.3-176.10000108.1L276 L277V268-L276 HydrophobicContact CG1-CD2 4.33Å; V268-L277 CarbonylContact C-O 3.56Å; V268-L277 WeakPolarHBondContact CA-O 3.32Å
269V95.8Very high94.7Very high0 Ų059.5 Ų59.50%032%0.324CS..EExtended strand (participates in β ladder)trans-121127.1178.4-1760000109F243 Y252 V267 L277 I279 L310 L312F243-V269 HydrophobicContact CE1-CG1 3.94Å; F243-V269 HydrophobicContact CZ-CG1 3.82Å; Y252-V269 HydrophobicContact CD1-CG2 4.02Å; Y252-V269 HydrophobicContact CD2-CG1 4.02Å; Y252-V269 HydrophobicContact CE1-CG2 3.81Å; Y252-V269 HydrophobicContact CE2-CG1 4.07Å; Y252-V269 HydrophobicContact CE2-CG2 4.39Å; Y252-V269 HydrophobicContact CG-CG1 4.39Å; Y252-V269 HydrophobicContact CG-CG2 4.4Å; V267-V269 HydrophobicContact CG1-CG2 3.58Å; V269-L277 PolarHBondContact N-O 2.93Å; V269-L277 PolarHBondContact O-N 2.97Å; V269-I279 HydrophobicContact CB-CD1 4.4Å; V269-I279 HydrophobicContact CG2-CD1 3.94Å; V269-L310 HydrophobicContact CG1-CD2 4.27Å; V269-L312 HydrophobicContact CG2-CD2 4.42Å
270E94.9Very high94.8Very high102 Ų10256.6 Ų56.648%0.47732%0.316SS..EExtended strand (participates in β ladder)trans-84.5114.8167-174.4173.8-155.100108.6F243 L276F243-E270 WeakPolarHBondContact CE2-O 3.28Å; F243-E270 WeakPolarHBondContact CZ-O 3.49Å; E270-L276 HydrophobicContact CB-CD2 3.85Å; E270-L276 HydrophobicContact CG-CD2 4.18Å
271T93.6Very high94.8Very high7 Ų752.9 Ų52.94%0.04330%0.298CS..  trans-81.3169.4-179.553.90000111.8D273 D274 K275 L277T271-D273 WeakPolarHBondContact CB-OD1 3.1Å; T271-D273 PolarHBondContact O-N 3.42Å; T271-D273 PolarHBondContact OG1-OD1 3.22Å; T271-D274 PolarHBondContact O-N 2.8Å; T271-D274 VanDerWaalsContact O-N 3.07Å; T271-K275 PolarHBondContact N-O 3.09Å; T271-K275 WeakPolarHBondContact OG1-CB 3.46Å; T271-K275 PolarHBondContact OG1-N 3.41Å; T271-K275 PolarHBondContact OG1-O 3.06Å; T271-L277 HydrophobicContact CG2-CD1 3.37Å; T271-L277 HydrophobicContact CG2-CG 3.72Å
272L93.1Very high94.8Very high5 Ų559.2 Ų59.23%0.02633%0.332CS..THydrogen-bonded Turntrans-66.6-14.5179.9-64.4178.4000114.1L168 F172 H173 F243 L250 D274 M298L168-L272 HydrophobicContact CB-CD1 4Å; L168-L272 HydrophobicContact CB-CD2 4.28Å; F172-L272 HydrophobicContact CB-CB 4.44Å; F172-L272 HydrophobicContact CB-CD1 4.12Å; F172-L272 HydrophobicContact CD1-CB 4.26Å; F172-L272 HydrophobicContact CD2-CB 3.99Å; F172-L272 HydrophobicContact CD2-CD1 3.91Å; F172-L272 HydrophobicContact CE2-CB 4.34Å; F172-L272 HydrophobicContact CG-CB 3.97Å; F172-L272 HydrophobicContact CG-CD1 4.19Å; H173-L272 PolarHBondContact CE1-O 3.3Å; F243-L272 HydrophobicContact CD2-CD2 3.81Å; F243-L272 HydrophobicContact CD2-CG 4.21Å; F243-L272 HydrophobicContact CE2-CD2 4.03Å; F243-L272 HydrophobicContact CE2-CG 4.26Å; L250-L272 HydrophobicContact CD1-CD1 3.67Å; L250-L272 HydrophobicContact CD1-CG 4.2Å; L250-L272 HydrophobicContact CD2-CD1 4.48Å; L272-D274 VanDerWaalsContact C-N 3.33Å; L272-M298 HydrophobicContact CD1-SD 3.67Å
273D91.4Very high94.7Very high55 Ų5560.1 Ų60.129%0.29434%0.337SS..THydrogen-bonded Turntrans-95.721.9172.852.6-22000112.6F172 T271 K275 R307F172-D273 HydrophobicContact CE1-CB 3.96Å; F172-D273 HydrophobicContact CZ-CB 4.09Å; T271-D273 WeakPolarHBondContact CB-OD1 3.1Å; T271-D273 PolarHBondContact O-N 3.42Å; T271-D273 PolarHBondContact OG1-OD1 3.22Å; D273-K275 PolarHBondContact O-N 2.99Å; D273-K275 VanDerWaalsContact O-N 3.13Å; D273-R307 IonicContact OD1-NH1 3.97Å; D273-R307 IonicContact OD1-NH2 3.91Å; D273-R307 IonicContact OD2-CZ 3.61Å; D273-R307 IonicContact OD2-NH1 3.98Å; D273-R307 PolarHBondContact OD2-NH1 2.95Å; D273-R307 IonicContact OD2-NH2 3.79Å
274D90Very high94.8Very high127 Ų12760.7 Ų60.768%0.67934%0.335SS*.SBendtrans58.623.3177.4-56.3-42000114.3T271 L272T271-D274 PolarHBondContact O-N 2.8Å; T271-D274 VanDerWaalsContact O-N 3.07Å; L272-D274 VanDerWaalsContact C-N 3.33Å
275K93Very high94.9Very high95 Ų9559.9 Ų59.941%0.41333%0.326SS..  trans-96.2134.5178.9178.1-170.7174.8-160.90109.9T271 D273 L277 E296T271-K275 PolarHBondContact N-O 3.09Å; T271-K275 WeakPolarHBondContact OG1-CB 3.46Å; T271-K275 PolarHBondContact OG1-N 3.41Å; T271-K275 PolarHBondContact OG1-O 3.06Å; D273-K275 PolarHBondContact O-N 2.99Å; D273-K275 VanDerWaalsContact O-N 3.13Å; K275-L277 HydrophobicContact CD-CD2 3.94Å; K275-L277 VanDerWaalsContact CE-CD2 3.43Å; K275-L277 HydrophobicContact CG-CD2 4.26Å; K275-E296 IonicContact NZ-OE1 2.76Å; K275-E296 PolarHBondContact NZ-OE1 3.24Å; K275-E296 VanDerWaalsContact NZ-OE1 3.1Å
276L95.3Very high94.7Very high118 Ų11863.1 Ų63.162%0.61834%0.341SS*.EExtended strand (participates in β ladder)trans-87.6114.3172.9-65.1175.7000110.2V268 E270V268-L276 HydrophobicContact CG1-CD2 4.33Å; E270-L276 HydrophobicContact CB-CD2 3.85Å; E270-L276 HydrophobicContact CG-CD2 4.18Å
277L95.3Very high94.5Very high21 Ų2167.7 Ų67.711%0.1135%0.354CS..EExtended strand (participates in β ladder)trans-98120.9173.8-64.4-177.6000110.5V268 V269 T271 K275 I279 E296 L310V268-L277 CarbonylContact C-O 3.56Å; V268-L277 WeakPolarHBondContact CA-O 3.32Å; V269-L277 PolarHBondContact N-O 2.93Å; V269-L277 PolarHBondContact O-N 2.97Å; T271-L277 HydrophobicContact CG2-CD1 3.37Å; T271-L277 HydrophobicContact CG2-CG 3.72Å; K275-L277 HydrophobicContact CD-CD2 3.94Å; K275-L277 VanDerWaalsContact CE-CD2 3.43Å; K275-L277 HydrophobicContact CG-CD2 4.26Å; L277-I279 HydrophobicContact CB-CD1 4.11Å; L277-I279 HydrophobicContact CB-CG1 4.27Å; L277-E296 HydrophobicContact CD1-CB 4.26Å; L277-E296 HydrophobicContact CD1-CG 3.82Å; L277-L310 HydrophobicContact CD1-CD2 4.34Å
278T96.6Very high94.3Very high96 Ų9671.2 Ų71.259%0.58938%0.38SS*.EExtended strand (participates in β ladder)trans-99.1113.1170.8-56.40000109.6
279I96.4Very high94.3Very high11 Ų1169 Ų696%0.05636%0.363CS..EExtended strand (participates in β ladder)trans-115.7106.8-170.6-56.4140.9000108.8S266 V267 V269 L277 I281 K291 L293 L312S266-I279 WeakPolarHBondContact CA-O 3.28Å; V267-I279 PolarHBondContact N-O 2.69Å; V267-I279 PolarHBondContact O-N 2.62Å; V269-I279 HydrophobicContact CB-CD1 4.4Å; V269-I279 HydrophobicContact CG2-CD1 3.94Å; L277-I279 HydrophobicContact CB-CD1 4.11Å; L277-I279 HydrophobicContact CB-CG1 4.27Å; I279-I281 HydrophobicContact CG2-CD1 4.04Å; I279-K291 HydrophobicContact CG2-CG 4.35Å; I279-L293 HydrophobicContact CD1-CD1 3.3Å; I279-L293 HydrophobicContact CG1-CD1 3.55Å; I279-L293 HydrophobicContact CG2-CD1 4.27Å; I279-L293 HydrophobicContact CG2-CD2 4.17Å; I279-L312 HydrophobicContact CD1-CD1 4.27Å; I279-L312 HydrophobicContact CD1-CD2 4.03Å
280P96.5Very high94.4Very high72 Ų7275.1 Ų75.147%0.46839%0.389SS..EExtended strand (participates in β ladder)trans-74.2132.8176.729.6-33.3000110.9
281I96.6Very high94.4Very high1 Ų173.4 Ų73.41%0.00538%0.38CS..EExtended strand (participates in β ladder)trans-118.5101.7175.1-52.1-62.9000107.3G264 F265 V267 I279 V285 Y289 K291 F314G264-I281 CarbonylContact C-O 3.52Å; G264-I281 WeakPolarHBondContact CA-O 3.4Å; F265-I281 HydrophobicContact CD1-CB 4.19Å; F265-I281 HydrophobicContact CE1-CB 3.91Å; F265-I281 HydrophobicContact CE1-CG1 4.38Å; F265-I281 HydrophobicContact CE1-CG2 3.94Å; F265-I281 HydrophobicContact CZ-CB 4.23Å; F265-I281 HydrophobicContact CZ-CG1 4.18Å; F265-I281 HydrophobicContact CZ-CG2 4.41Å; F265-I281 PolarHBondContact N-O 3.13Å; F265-I281 PolarHBondContact O-N 3.29Å; V267-I281 HydrophobicContact CG2-CG1 4.35Å; I279-I281 HydrophobicContact CG2-CD1 4.04Å; I281-V285 HydrophobicContact CG2-CG2 3.47Å; I281-V285 VanDerWaalsContact CG2-CG2 3.47Å; I281-Y289 HydrophobicContact CG2-CE1 4.19Å; I281-K291 HydrophobicContact CD1-CB 4.02Å; I281-K291 HydrophobicContact CD1-CD 4.16Å; I281-K291 HydrophobicContact CD1-CG 3.78Å; I281-F314 HydrophobicContact CD1-CZ 4.18Å; I281-F314 HydrophobicContact CG1-CZ 4.23Å
282N94.8Very high94.6Very high134 Ų13476.7 Ų76.772%0.71740%0.4SS*.  trans-97.6-19.7-179.7-59.6-29.2000112.4
283D93.4Very high94.8Very high100 Ų10078 Ų7854%0.53541%0.407SS..SBendtrans-80.4153.8179.7-58.7-48.9000111V285 Y289D283-V285 PolarHBondContact O-N 3.5Å; D283-Y289 HydrophobicContact CB-CE2 4.37Å
284I94.3Very high95Very high112 Ų11280.1 Ų80.157%0.57443%0.426SS*.PPolyproline II helixtrans-65.4120.4175.3-64.1172.2000109.7A261 L262A261-I284 WeakPolarHBondContact O-CA 3.2Å; L262-I284 HydrophobicContact CD2-CG2 3.97Å
285V95.9Very high95.2Very high5 Ų575.7 Ų75.73%0.0341%0.41CS..PPolyproline II helixtrans-87.7119.9179.1-179.20000109.6I256 A261 F265 I281 D283 Y289 F314 I316I256-V285 HydrophobicContact CD1-CB 4.09Å; I256-V285 HydrophobicContact CD1-CG1 3.82Å; I256-V285 HydrophobicContact CD1-CG2 4.48Å; A261-V285 HydrophobicContact CB-CB 4.13Å; A261-V285 PolarHBondContact O-N 2.97Å; F265-V285 HydrophobicContact CE1-CG2 3.91Å; F265-V285 HydrophobicContact CZ-CG2 4.41Å; I281-V285 HydrophobicContact CG2-CG2 3.47Å; I281-V285 VanDerWaalsContact CG2-CG2 3.47Å; D283-V285 PolarHBondContact O-N 3.5Å; V285-Y289 HydrophobicContact CB-CD1 4.29Å; V285-Y289 HydrophobicContact CG1-CD1 3.95Å; V285-Y289 HydrophobicContact CG1-CG 4.42Å; V285-Y289 HydrophobicContact CG2-CD1 3.88Å; V285-Y289 HydrophobicContact CG2-CE1 4.03Å; V285-F314 HydrophobicContact CG1-CB 3.61Å; V285-F314 HydrophobicContact CG1-CD1 4.35Å; V285-F314 HydrophobicContact CG1-CD2 3.6Å; V285-F314 HydrophobicContact CG1-CE2 4.38Å; V285-F314 HydrophobicContact CG1-CG 3.58Å; V285-I316 HydrophobicContact CG1-CD1 4.38Å; V285-I316 WeakPolarHBondContact O-CD1 2.85Å
286H93Very high95.3Very high97 Ų9772.8 Ų72.845%0.44940%0.398SS..  trans-115.5170.8170.865.3-78.6000109.7S288 Y289H286-S288 VanDerWaalsContact C-N 3.25Å; H286-S288 PolarHBondContact CD2-OG 3.2Å; H286-S288 PolarHBondContact NE2-OG 3.43Å; H286-S288 PolarHBondContact O-N 2.95Å; H286-S288 VanDerWaalsContact O-N 3.1Å; H286-Y289 PolarHBondContact NE2-N 3.19Å; H286-Y289 WeakPolarHBondContact O-CB 3.39Å; H286-Y289 PolarHBondContact O-N 3.14Å
287Q91.2Very high95.3Very high168 Ų16867.1 Ų67.179%0.78537%0.369SS*.THydrogen-bonded Turntrans-56.9-31.6-170.8-68.3173.5-7.400115
288S93.8Very high95.4Very high87 Ų8766.1 Ų66.161%0.60836%0.364SS*.THydrogen-bonded Turntrans-93.2-2.1176.547.70000114.3H286 K290H286-S288 VanDerWaalsContact C-N 3.25Å; H286-S288 PolarHBondContact CD2-OG 3.2Å; H286-S288 PolarHBondContact NE2-OG 3.43Å; H286-S288 PolarHBondContact O-N 2.95Å; H286-S288 VanDerWaalsContact O-N 3.1Å; S288-K290 PolarHBondContact O-N 3.36Å
289Y95.9Very high95.4Very high35 Ų3561.9 Ų61.914%0.13734%0.338CS..  trans-64.8132.4177.2-177.9-99000110.2I281 D283 V285 H286 K291 F314I281-Y289 HydrophobicContact CG2-CE1 4.19Å; D283-Y289 HydrophobicContact CB-CE2 4.37Å; V285-Y289 HydrophobicContact CB-CD1 4.29Å; V285-Y289 HydrophobicContact CG1-CD1 3.95Å; V285-Y289 HydrophobicContact CG1-CG 4.42Å; V285-Y289 HydrophobicContact CG2-CD1 3.88Å; V285-Y289 HydrophobicContact CG2-CE1 4.03Å; H286-Y289 PolarHBondContact NE2-N 3.19Å; H286-Y289 WeakPolarHBondContact O-CB 3.39Å; H286-Y289 PolarHBondContact O-N 3.14Å; Y289-K291 HydrophobicContact CE1-CB 4.21Å; Y289-F314 AromaticContact CD1-CD2 3.86Å; Y289-F314 HydrophobicContact CD1-CD2 3.86Å; Y289-F314 AromaticContact CD1-CE2 3.63Å; Y289-F314 HydrophobicContact CD1-CE2 3.63Å; Y289-F314 HydrophobicContact CE1-CD2 4.49Å; Y289-F314 AromaticContact CE1-CE2 3.82Å; Y289-F314 HydrophobicContact CE1-CE2 3.82Å
290K96.4Very high95.3Very high130 Ų13063.8 Ų63.857%0.56535%0.348SS*.EExtended strand (participates in β ladder)trans-129.8133.8175.5-63.6-176.6-178.5-179.60108.7S288 I311 L312 T313S288-K290 PolarHBondContact O-N 3.36Å; K290-I311 HydrophobicContact CB-CG2 4.33Å; K290-I311 HydrophobicContact CD-CG2 4.21Å; K290-L312 WeakPolarHBondContact CA-O 3.23Å; K290-T313 HydrophobicContact CD-CG2 4.44Å; K290-T313 HydrophobicContact CG-CG2 4.11Å
291K96.6Very high94.9Very high65 Ų6564 Ų6428%0.28335%0.349SS..EExtended strand (participates in β ladder)trans-103.6122.4169.4-175.669167-172.30108.3I279 I281 Y289 L312 F314I279-K291 HydrophobicContact CG2-CG 4.35Å; I281-K291 HydrophobicContact CD1-CB 4.02Å; I281-K291 HydrophobicContact CD1-CD 4.16Å; I281-K291 HydrophobicContact CD1-CG 3.78Å; Y289-K291 HydrophobicContact CE1-CB 4.21Å; K291-L312 HydrophobicContact CB-CB 4.19Å; K291-L312 PolarHBondContact N-O 2.93Å; K291-L312 VanDerWaalsContact N-O 3.12Å; K291-L312 PolarHBondContact O-N 3.01Å; K291-F314 HydrophobicContact CB-CE2 4.42Å
292V97.2Very high94.5Very high76 Ų7673.2 Ų73.246%0.46139%0.392SS..EExtended strand (participates in β ladder)trans-103.5131.4178.8-175.40000109N309 I311V292-N309 HydrophobicContact CG1-CB 3.82Å; V292-I311 HydrophobicContact CG2-CG1 4.5Å
293L96.7Very high94.4Very high34 Ų3469.3 Ų69.318%0.17837%0.371CS..EExtended strand (participates in β ladder)trans-117.7112.1174.1-58.9173000108.2I279 E296 N309 L310 L312I279-L293 HydrophobicContact CD1-CD1 3.3Å; I279-L293 HydrophobicContact CG1-CD1 3.55Å; I279-L293 HydrophobicContact CG2-CD1 4.27Å; I279-L293 HydrophobicContact CG2-CD2 4.17Å; L293-E296 HydrophobicContact CB-CB 4.5Å; L293-E296 HydrophobicContact CB-CG 4.45Å; L293-N309 CarbonylContact O-C 3.59Å; L293-N309 WeakPolarHBondContact O-CA 3.33Å; L293-L310 HydrophobicContact CB-CB 4.25Å; L293-L310 HydrophobicContact CD1-CD2 4.11Å; L293-L310 PolarHBondContact N-O 3.26Å; L293-L310 PolarHBondContact O-N 2.97Å; L293-L312 HydrophobicContact CD1-CD1 3.58Å; L293-L312 HydrophobicContact CG-CD1 4.02Å
294S96.1Very high94.2Very high98 Ų9868.1 Ų68.169%0.68537%0.369SS*.THydrogen-bonded Turntrans-74.7138.2-175.9-58.30000112E296 N309S294-E296 VanDerWaalsContact C-N 3.31Å; S294-E296 PolarHBondContact O-N 2.76Å; S294-N309 VanDerWaalsContact CA-OD1 3.29Å; S294-N309 WeakPolarHBondContact CA-OD1 3.35Å
295G94.2Very high94Very high34 Ų3468.5 Ų68.535%0.35138%0.376SS..THydrogen-bonded Turntrans80.93.7175.500000115.4R307 G308G295-R307 VanDerWaalsContact O-CB 3.31Å; G295-R307 WeakPolarHBondContact O-CB 3.27Å; G295-R307 WeakPolarHBondContact O-CD 3.47Å; G295-R307 PolarHBondContact O-NE 3.07Å; G295-G308 CarbonylContact C-O 3.57Å; G295-G308 VanDerWaalsContact CA-O 3.26Å; G295-G308 WeakPolarHBondContact CA-O 3.48Å; G295-G308 PolarHBondContact N-O 2.59Å; G295-G308 VanDerWaalsContact N-O 3.14Å
296E95.6Very high94Very high34 Ų3473.4 Ų73.416%0.15940%0.399CS..  trans-103.510.6-179.4-62.6-69.6-178.600112.6K275 L277 L293 S294 R307 G308 L310K275-E296 IonicContact NZ-OE1 2.76Å; K275-E296 PolarHBondContact NZ-OE1 3.24Å; K275-E296 VanDerWaalsContact NZ-OE1 3.1Å; L277-E296 HydrophobicContact CD1-CB 4.26Å; L277-E296 HydrophobicContact CD1-CG 3.82Å; L293-E296 HydrophobicContact CB-CB 4.5Å; L293-E296 HydrophobicContact CB-CG 4.45Å; S294-E296 VanDerWaalsContact C-N 3.31Å; S294-E296 PolarHBondContact O-N 2.76Å; E296-R307 PolarHBondContact O-NH2 3.48Å; E296-G308 PolarHBondContact N-O 2.78Å; E296-L310 HydrophobicContact CB-CB 3.73Å; E296-L310 HydrophobicContact CB-CD2 4.4Å
297G95.9Very high94.1Very high0 Ų071.6 Ų71.60%039%0.388CS..SBendtrans-90.3-156.7176.800000114.6R307 G308G297-R307 PolarHBondContact O-NE 2.99Å; G297-R307 PolarHBondContact O-NH2 3.46Å; G297-G308 WeakPolarHBondContact CA-O 3.44Å; G297-G308 PolarHBondContact N-O 2.79Å
298M96.7Very high94.3Very high0 Ų064 Ų640%035%0.354CS..PPolyproline II helixtrans-76.5150.1177.1-64.5-66.8-72.600111.7L171 F172 R245 S248 L250 L272 R307 G308L171-M298 HydrophobicContact CB-CE 3.64Å; F172-M298 HydrophobicContact CB-CE 4.21Å; F172-M298 HydrophobicContact CB-SD 4.35Å; F172-M298 HydrophobicContact CD2-SD 4.12Å; R245-M298 HydrophobicContact CG-CG 4.13Å; S248-M298 WeakPolarHBondContact O-CB 3.39Å; S248-M298 PolarHBondContact O-N 3.43Å; L250-M298 HydrophobicContact CD1-CG 4.43Å; L250-M298 HydrophobicContact CD1-SD 4.31Å; L250-M298 HydrophobicContact CD2-CG 3.66Å; L250-M298 HydrophobicContact CD2-SD 3.87Å; L250-M298 HydrophobicContact CG-CG 3.98Å; L250-M298 HydrophobicContact CG-SD 4.38Å; L272-M298 HydrophobicContact CD1-SD 3.67Å; M298-R307 CarbonylContact O-C 3.43Å; M298-R307 WeakPolarHBondContact O-CA 3.28Å; M298-G308 PolarHBondContact O-N 2.84Å
299P96.7Very high94.5Very high7 Ų762 Ų625%0.04534%0.337CS..BIsolated β-bridgetrans-59145.3171.8-22.933.6000112.3F172 P206 G207 P304 Q306F172-P299 HydrophobicContact CD2-CG 4.13Å; F172-P299 HydrophobicContact CE2-CG 4.24Å; P206-P299 HydrophobicContact CB-CB 4.26Å; P206-P299 HydrophobicContact CB-CG 4.33Å; G207-P299 WeakPolarHBondContact CA-O 3.29Å; P299-P304 HydrophobicContact CB-CB 4.45Å; P299-Q306 WeakPolarHBondContact CA-O 3.49Å
300L93.1Very high94.6Very high51 Ų5160.4 Ų60.427%0.26733%0.331SS..PPolyproline II helixtrans-76.8137.4175-60.5-179.3000110.6S248 Q302 D303 Q306S248-L300 WeakPolarHBondContact OG-CD2 3.2Å; L300-Q302 PolarHBondContact O-N 3.41Å; L300-D303 CarbonylContact O-C 3.5Å; L300-D303 PolarHBondContact O-N 3.42Å; L300-Q306 HydrophobicContact CD1-CB 3.77Å; L300-Q306 HydrophobicContact CG-CB 4.25Å; L300-Q306 PolarHBondContact N-O 2.97Å
301P88.6Confident94.6Very high75 Ų7555.3 Ų55.349%0.48731%0.31SS..SBendtrans-60.6-29.9179.1-19.324.7000114.6G207 T209G207-P301 WeakPolarHBondContact O-CG 3.27Å; T209-P301 HydrophobicContact CG2-CG 4.34Å
302Q89.1Confident94.7Very high196 Ų19652.2 Ų52.292%0.91630%0.296SS*.SBendtrans-81-38.2-178.6-65177.15.900111.8L300L300-Q302 PolarHBondContact O-N 3.41Å
303D91.3Very high94.6Very high51 Ų5149.9 Ų49.927%0.27328%0.282SS..  trans-141.698.5-178.2-178.54.9000109.5L300 T305 Q306L300-D303 CarbonylContact O-C 3.5Å; L300-D303 PolarHBondContact O-N 3.42Å; D303-T305 PolarHBondContact O-N 3.01Å; D303-T305 VanDerWaalsContact O-N 3.15Å; D303-T305 WeakPolarHBondContact OD1-CB 3.45Å; D303-T305 PolarHBondContact OD1-N 3.29Å; D303-T305 VanDerWaalsContact OD1-N 3.08Å; D303-T305 PolarHBondContact OD1-OG1 3.22Å; D303-T305 PolarHBondContact OD2-OG1 2.85Å; D303-Q306 PolarHBondContact O-N 3.32Å; D303-Q306 VanDerWaalsContact O-N 3.13Å; D303-Q306 PolarHBondContact OD2-NE2 2.81Å
304P89.8Confident94.6Very high76 Ų7648.9 Ų48.949%0.49428%0.276SS..THydrogen-bonded Turntrans-70.3-8.3-176.728.8-34.2000113.2P206 P299 Q306P206-P304 HydrophobicContact CB-CB 4.29Å; P299-P304 HydrophobicContact CB-CB 4.45Å; P304-Q306 VanDerWaalsContact C-N 3.27Å
305T91.4Very high94.6Very high119 Ų11947 Ų4773%0.7326%0.259SS*.THydrogen-bonded Turntrans-75-22.7173.570.30000112.2D303D303-T305 PolarHBondContact O-N 3.01Å; D303-T305 VanDerWaalsContact O-N 3.15Å; D303-T305 WeakPolarHBondContact OD1-CB 3.45Å; D303-T305 PolarHBondContact OD1-N 3.29Å; D303-T305 VanDerWaalsContact OD1-N 3.08Å; D303-T305 PolarHBondContact OD1-OG1 3.22Å; D303-T305 PolarHBondContact OD2-OG1 2.85Å
306Q94.7Very high94.7Very high109 Ų10946.6 Ų46.651%0.50925%0.248SC..SBendtrans-97.7145175.8-67.8-1795100110.3P299 L300 D303 P304P299-Q306 WeakPolarHBondContact CA-O 3.49Å; L300-Q306 HydrophobicContact CD1-CB 3.77Å; L300-Q306 HydrophobicContact CG-CB 4.25Å; L300-Q306 PolarHBondContact N-O 2.97Å; D303-Q306 PolarHBondContact O-N 3.32Å; D303-Q306 VanDerWaalsContact O-N 3.13Å; D303-Q306 PolarHBondContact OD2-NE2 2.81Å; P304-Q306 VanDerWaalsContact C-N 3.27Å
307R95.6Very high94.8Very high59 Ų5950 Ų5022%0.22326%0.264CS..BIsolated β-bridgetrans-124.3150.5-178.6-68.4173.268.4175.8-3.1110.1F172 D273 G295 E296 G297 M298F172-R307 VanDerWaalsContact CE2-CZ 3.49Å; F172-R307 VanDerWaalsContact CE2-NH2 3.3Å; F172-R307 VanDerWaalsContact CZ-CZ 3.41Å; D273-R307 IonicContact OD1-NH1 3.97Å; D273-R307 IonicContact OD1-NH2 3.91Å; D273-R307 IonicContact OD2-CZ 3.61Å; D273-R307 IonicContact OD2-NH1 3.98Å; D273-R307 PolarHBondContact OD2-NH1 2.95Å; D273-R307 IonicContact OD2-NH2 3.79Å; G295-R307 VanDerWaalsContact O-CB 3.31Å; G295-R307 WeakPolarHBondContact O-CB 3.27Å; G295-R307 WeakPolarHBondContact O-CD 3.47Å; G295-R307 PolarHBondContact O-NE 3.07Å; E296-R307 PolarHBondContact O-NH2 3.48Å; G297-R307 PolarHBondContact O-NE 2.99Å; G297-R307 PolarHBondContact O-NH2 3.46Å; M298-R307 CarbonylContact O-C 3.43Å; M298-R307 WeakPolarHBondContact O-CA 3.28Å
308G95.9Very high94.7Very high7 Ų756.5 Ų56.57%0.07229%0.293CS..  trans-69.2-163.716800000112.3S248 G295 E296 G297 M298S248-G308 WeakPolarHBondContact O-CA 3.42Å; G295-G308 CarbonylContact C-O 3.57Å; G295-G308 VanDerWaalsContact CA-O 3.26Å; G295-G308 WeakPolarHBondContact CA-O 3.48Å; G295-G308 PolarHBondContact N-O 2.59Å; G295-G308 VanDerWaalsContact N-O 3.14Å; E296-G308 PolarHBondContact N-O 2.78Å; G297-G308 WeakPolarHBondContact CA-O 3.44Å; G297-G308 PolarHBondContact N-O 2.79Å; M298-G308 PolarHBondContact O-N 2.84Å
309N97.2Very high94.7Very high47 Ų4759.6 Ų59.625%0.25131%0.313SS..  trans-102.5151.4-175.9-51.7-63.2000111.9D249 L250 V292 L293 S294 I311D249-N309 CarbonylContact C-O 3.52Å; D249-N309 WeakPolarHBondContact CA-O 3.5Å; D249-N309 WeakPolarHBondContact CB-O 3.24Å; D249-N309 PolarHBondContact OD1-N 3.22Å; D249-N309 PolarHBondContact OD1-ND2 2.78Å; L250-N309 PolarHBondContact N-O 3.22Å; V292-N309 HydrophobicContact CG1-CB 3.82Å; L293-N309 CarbonylContact O-C 3.59Å; L293-N309 WeakPolarHBondContact O-CA 3.33Å; S294-N309 VanDerWaalsContact CA-OD1 3.29Å; S294-N309 WeakPolarHBondContact CA-OD1 3.35Å; N309-I311 HydrophobicContact CB-CG1 4.44Å
310L97.4Very high94.6Very high1 Ų168.4 Ų68.41%0.00535%0.353CS..EExtended strand (participates in β ladder)trans-95119.7162175.162.6000108.5F243 L250 V269 L277 L293 E296 L312F243-L310 HydrophobicContact CD1-CD1 4.17Å; F243-L310 HydrophobicContact CE1-CD1 3.81Å; L250-L310 HydrophobicContact CB-CD1 3.99Å; L250-L310 CarbonylContact O-C 3.57Å; L250-L310 WeakPolarHBondContact O-CA 3.46Å; V269-L310 HydrophobicContact CG1-CD2 4.27Å; L277-L310 HydrophobicContact CD1-CD2 4.34Å; L293-L310 HydrophobicContact CB-CB 4.25Å; L293-L310 HydrophobicContact CD1-CD2 4.11Å; L293-L310 PolarHBondContact N-O 3.26Å; L293-L310 PolarHBondContact O-N 2.97Å; E296-L310 HydrophobicContact CB-CB 3.73Å; E296-L310 HydrophobicContact CB-CD2 4.4Å; L310-L312 HydrophobicContact CD2-CD1 4.39Å; L310-L312 HydrophobicContact CG-CD1 4.1Å
311I97.8Very high94.6Very high22 Ų2274.6 Ų74.611%0.11338%0.378CS..EExtended strand (participates in β ladder)trans-108.4114-178.2-54.8174000107.9D249 L250 L251 Y252 K290 V292 N309D249-I311 HydrophobicContact CB-CD1 4.02Å; L250-I311 PolarHBondContact O-N 2.98Å; L251-I311 WeakPolarHBondContact CA-O 3.37Å; L251-I311 HydrophobicContact CD1-CB 4.17Å; L251-I311 HydrophobicContact CD1-CG2 4.04Å; Y252-I311 PolarHBondContact N-O 3.23Å; K290-I311 HydrophobicContact CB-CG2 4.33Å; K290-I311 HydrophobicContact CD-CG2 4.21Å; V292-I311 HydrophobicContact CG2-CG1 4.5Å; N309-I311 HydrophobicContact CB-CG1 4.44Å
312L97.3Very high94.9Very high0 Ų074.3 Ų74.30%037%0.372CS..EExtended strand (participates in β ladder)trans-87.8129173.4-68.280.4000109.5Y252 V267 V269 I279 K290 K291 L293 L310 F314Y252-L312 HydrophobicContact CD1-CD2 4.49Å; Y252-L312 HydrophobicContact CD1-CG 4.32Å; Y252-L312 WeakPolarHBondContact O-CA 3.38Å; V267-L312 HydrophobicContact CB-CD2 4.12Å; V267-L312 HydrophobicContact CG1-CD2 4.05Å; V267-L312 HydrophobicContact CG2-CD2 4.18Å; V269-L312 HydrophobicContact CG2-CD2 4.42Å; I279-L312 HydrophobicContact CD1-CD1 4.27Å; I279-L312 HydrophobicContact CD1-CD2 4.03Å; K290-L312 WeakPolarHBondContact CA-O 3.23Å; K291-L312 HydrophobicContact CB-CB 4.19Å; K291-L312 PolarHBondContact N-O 2.93Å; K291-L312 VanDerWaalsContact N-O 3.12Å; K291-L312 PolarHBondContact O-N 3.01Å; L293-L312 HydrophobicContact CD1-CD1 3.58Å; L293-L312 HydrophobicContact CG-CD1 4.02Å; L310-L312 HydrophobicContact CD2-CD1 4.39Å; L310-L312 HydrophobicContact CG-CD1 4.1Å; L312-F314 HydrophobicContact CB-CE2 4.13Å; L312-F314 HydrophobicContact CB-CZ 3.89Å; L312-F314 HydrophobicContact CD2-CZ 4.26Å
313T96.6Very high95.2Very high27 Ų2767.9 Ų67.917%0.16635%0.349CS..EExtended strand (participates in β ladder)trans-118.3154.4167.950.30000109.3L251 Y252 K253 A254 K290L251-T313 HydrophobicContact CD1-CG2 3.56Å; Y252-T313 PolarHBondContact O-N 3.16Å; Y252-T313 PolarHBondContact O-OG1 3.15Å; K253-T313 CarbonylContact C-O 3.55Å; K253-T313 WeakPolarHBondContact CA-O 3.4Å; A254-T313 PolarHBondContact N-O 2.81Å; K290-T313 HydrophobicContact CD-CG2 4.44Å; K290-T313 HydrophobicContact CG-CG2 4.11Å
314F96.4Very high95.5Very high13 Ų1368.8 Ų68.86%0.05736%0.363CS..EExtended strand (participates in β ladder)trans-124.3128-170.7-58.1-85.1000110.6A254 I256 F265 V267 I281 V285 Y289 K291 L312A254-F314 HydrophobicContact CB-CD1 3.75Å; A254-F314 HydrophobicContact CB-CE1 3.96Å; A254-F314 CarbonylContact O-C 3.55Å; A254-F314 WeakPolarHBondContact O-CA 3.33Å; I256-F314 HydrophobicContact CD1-CB 3.95Å; I256-F314 HydrophobicContact CD1-CD1 3.89Å; I256-F314 HydrophobicContact CD1-CG 4.16Å; I256-F314 HydrophobicContact CG1-CB 4.32Å; I256-F314 HydrophobicContact CG1-CD1 4.48Å; I256-F314 HydrophobicContact CG2-CD1 4.02Å; F265-F314 HydrophobicContact CE2-CD1 4.49Å; F265-F314 HydrophobicContact CE2-CE1 4.08Å; F265-F314 AromaticContact CZ-CD1 3.87Å; F265-F314 HydrophobicContact CZ-CD1 3.87Å; F265-F314 AromaticContact CZ-CE1 3.58Å; F265-F314 HydrophobicContact CZ-CE1 3.58Å; F265-F314 HydrophobicContact CZ-CZ 4.43Å; V267-F314 HydrophobicContact CG2-CE1 3.97Å; I281-F314 HydrophobicContact CD1-CZ 4.18Å; I281-F314 HydrophobicContact CG1-CZ 4.23Å; V285-F314 HydrophobicContact CG1-CB 3.61Å; V285-F314 HydrophobicContact CG1-CD1 4.35Å; V285-F314 HydrophobicContact CG1-CD2 3.6Å; V285-F314 HydrophobicContact CG1-CE2 4.38Å; V285-F314 HydrophobicContact CG1-CG 3.58Å; Y289-F314 AromaticContact CD1-CD2 3.86Å; Y289-F314 HydrophobicContact CD1-CD2 3.86Å; Y289-F314 AromaticContact CD1-CE2 3.63Å; Y289-F314 HydrophobicContact CD1-CE2 3.63Å; Y289-F314 HydrophobicContact CE1-CD2 4.49Å; Y289-F314 AromaticContact CE1-CE2 3.82Å; Y289-F314 HydrophobicContact CE1-CE2 3.82Å; K291-F314 HydrophobicContact CB-CE2 4.42Å; L312-F314 HydrophobicContact CB-CE2 4.13Å; L312-F314 HydrophobicContact CB-CZ 3.89Å; L312-F314 HydrophobicContact CD2-CZ 4.26Å
315D95.8Very high95.8Very high59 Ų5970.5 Ų70.532%0.31637%0.368SS..EExtended strand (participates in β ladder)trans-94.4115.8164.6-144-16.8000107.8K253 A254 R255 I256K253-D315 WeakPolarHBondContact CE-OD2 3.46Å; K253-D315 IonicContact NZ-OD2 3.1Å; K253-D315 PolarHBondContact NZ-OD2 3.14Å; A254-D315 PolarHBondContact O-N 3.21Å; R255-D315 HydrophobicContact CG-CB 4.13Å; I256-D315 PolarHBondContact N-O 3.09Å
316I96.9Very high95.9Very high26 Ų2667.1 Ų67.113%0.13335%0.35CS..EExtended strand (participates in β ladder)trans-95.7111.4-176.1-54.8170.9000108.4I256 L258 A261 V285 F318I256-I316 HydrophobicContact CD1-CG1 4.25Å; I256-I316 HydrophobicContact CG1-CG1 4.18Å; I256-I316 WeakPolarHBondContact O-CA 3.32Å; L258-I316 HydrophobicContact CB-CG2 4.36Å; L258-I316 HydrophobicContact CD1-CG2 4.21Å; A261-I316 HydrophobicContact CB-CD1 4.32Å; A261-I316 HydrophobicContact CB-CG1 4.43Å; A261-I316 HydrophobicContact CB-CG2 4.21Å; V285-I316 HydrophobicContact CG1-CD1 4.38Å; V285-I316 WeakPolarHBondContact O-CD1 2.85Å; I316-F318 HydrophobicContact CG2-CD2 4.27Å; I316-F318 HydrophobicContact CG2-CE2 3.99Å
317E96.3Very high95.8Very high106 Ų10667.7 Ų67.750%0.49535%0.35SS..EExtended strand (participates in β ladder)trans-85.7115.7176.6-65.3-176.2178.600109.8I256 L258I256-E317 PolarHBondContact O-N 3.27Å; L258-E317 PolarHBondContact N-O 3.47Å; L258-E317 VanDerWaalsContact N-O 3.11Å
318F95.2Very high95.7Very high136 Ų13670.8 Ų70.860%0.59637%0.367SS*.  trans-82.4140.5175.2-82.8-108.1000110.4L258 I316 E320L258-F318 HydrophobicContact CD1-CE1 3.95Å; L258-F318 HydrophobicContact CD1-CE2 4.32Å; L258-F318 HydrophobicContact CD1-CZ 3.82Å; L258-F318 HydrophobicContact CD2-CD1 3.75Å; L258-F318 HydrophobicContact CD2-CE1 3.68Å; L258-F318 HydrophobicContact CD2-CZ 4.39Å; L258-F318 HydrophobicContact CG-CE1 4.38Å; I316-F318 HydrophobicContact CG2-CD2 4.27Å; I316-F318 HydrophobicContact CG2-CE2 3.99Å; F318-E320 PolarHBondContact O-N 3.41Å
319P94.8Very high95.5Very high64 Ų6475.8 Ų75.842%0.41639%0.392SS..  trans-65.9134.2175.527.6-33.7000110.7K321 L322P319-K321 VanDerWaalsContact C-N 3.29Å; P319-K321 PolarHBondContact O-N 3.04Å; P319-L322 HydrophobicContact CB-CD2 4.19Å; P319-L322 HydrophobicContact CB-CG 4.48Å; P319-L322 HydrophobicContact CG-CD1 4.22Å; P319-L322 HydrophobicContact CG-CD2 3.9Å; P319-L322 HydrophobicContact CG-CG 4.07Å
320E95.5Very high95.3Very high192 Ų19277 Ų7790%0.89740%0.397SS*.SBendtrans-67.3-30.3179.5-64.2-174.1172.200113F318F318-E320 PolarHBondContact O-N 3.41Å
321K94.1Very high94.9Very high181 Ų18184.9 Ų84.979%0.78743%0.432SS*.  trans-142.3146.6-176.9-62.8-179.8-174.3172.40110.5P319P319-K321 VanDerWaalsContact C-N 3.29Å; P319-K321 PolarHBondContact O-N 3.04Å
322L93.7Very high94.6Very high70 Ų7090.4 Ų90.437%0.36646%0.457SS..  trans-137.3142.1175.1-69.4171.7000109.3P319 K327 I330P319-L322 HydrophobicContact CB-CD2 4.19Å; P319-L322 HydrophobicContact CB-CG 4.48Å; P319-L322 HydrophobicContact CG-CD1 4.22Å; P319-L322 HydrophobicContact CG-CD2 3.9Å; P319-L322 HydrophobicContact CG-CG 4.07Å; L322-K327 HydrophobicContact CB-CD 4.45Å; L322-K327 HydrophobicContact CB-CG 3.88Å; L322-K327 HydrophobicContact CD1-CG 4.48Å; L322-K327 VanDerWaalsContact O-CE 3.31Å; L322-K327 WeakPolarHBondContact O-CE 3.35Å; L322-I330 HydrophobicContact CD1-CD1 3.93Å
323S96.7Very high94.2Very high61 Ų6194.4 Ų94.443%0.42749%0.49SS..  trans-67.5160.5174.371.90000111.2D325 S326 K327S323-D325 VanDerWaalsContact C-N 3.29Å; S323-D325 PolarHBondContact O-N 2.83Å; S323-S326 PolarHBondContact O-N 2.89Å; S323-S326 WeakPolarHBondContact OG-CB 3.45Å; S323-S326 PolarHBondContact OG-N 3.15Å; S323-S326 VanDerWaalsContact OG-N 3.16Å; S323-S326 PolarHBondContact OG-OG 3.42Å; S323-K327 WeakPolarHBondContact O-CG 3.42Å; S323-K327 PolarHBondContact O-N 2.81Å
324A95.8Very high93.8Very high69 Ų6997.5 Ų97.557%0.5751%0.505SS*.Hα-helixtrans-59.5-42.5177.400000111.5K327 Q328A324-K327 WeakPolarHBondContact O-CB 3.29Å; A324-K327 PolarHBondContact O-N 2.69Å; A324-Q328 WeakPolarHBondContact O-CG 3.33Å; A324-Q328 PolarHBondContact O-N 2.84Å
325D96.1Very high93.1Very high113 Ų113103 Ų10360%0.60454%0.535SS*.Hα-helixtrans-64.5-46.3-179.9-55.7-19.4000111.4S323 K327 Q328 L329S323-D325 VanDerWaalsContact C-N 3.29Å; S323-D325 PolarHBondContact O-N 2.83Å; D325-K327 VanDerWaalsContact C-N 3.3Å; D325-K327 PolarHBondContact O-N 3.35Å; D325-Q328 WeakPolarHBondContact O-CB 3.47Å; D325-Q328 PolarHBondContact O-N 2.67Å; D325-Q328 VanDerWaalsContact O-N 3.12Å; D325-L329 WeakPolarHBondContact O-CG 3.31Å; D325-L329 PolarHBondContact O-N 2.97Å
326S93.4Very high91.7Very high48 Ų48106.4 Ų106.434%0.33655%0.553SS.*Hα-helixtrans-61.9-38.4176.6-61.50000111.9S323 Q328 L329 I330S323-S326 PolarHBondContact O-N 2.89Å; S323-S326 WeakPolarHBondContact OG-CB 3.45Å; S323-S326 PolarHBondContact OG-N 3.15Å; S323-S326 VanDerWaalsContact OG-N 3.16Å; S323-S326 PolarHBondContact OG-OG 3.42Å; S326-Q328 VanDerWaalsContact C-N 3.34Å; S326-Q328 PolarHBondContact O-N 2.93Å; S326-L329 PolarHBondContact O-N 2.88Å; S326-I330 WeakPolarHBondContact O-CB 3.29Å; S326-I330 WeakPolarHBondContact O-CD1 3.44Å; S326-I330 VanDerWaalsContact O-CG1 3.23Å; S326-I330 WeakPolarHBondContact O-CG1 2.99Å; S326-I330 PolarHBondContact O-N 3.18Å
327K92.6Very high89.7Confident121 Ų121113.9 Ų113.953%0.52659%0.587SS.*Hα-helixtrans-63.7-39.2174.8-72.1174.2-178178.20112L322 S323 A324 D325 K331L322-K327 HydrophobicContact CB-CD 4.45Å; L322-K327 HydrophobicContact CB-CG 3.88Å; L322-K327 HydrophobicContact CD1-CG 4.48Å; L322-K327 VanDerWaalsContact O-CE 3.31Å; L322-K327 WeakPolarHBondContact O-CE 3.35Å; S323-K327 WeakPolarHBondContact O-CG 3.42Å; S323-K327 PolarHBondContact O-N 2.81Å; A324-K327 WeakPolarHBondContact O-CB 3.29Å; A324-K327 PolarHBondContact O-N 2.69Å; D325-K327 VanDerWaalsContact C-N 3.3Å; D325-K327 PolarHBondContact O-N 3.35Å; K327-K331 WeakPolarHBondContact O-CB 3.37Å; K327-K331 PolarHBondContact O-N 3.33Å
328Q93.3Very high87.6Confident123 Ų123119 Ų11958%0.57560%0.603SS**Hα-helixtrans-64.6-45.4175.7-73-178.4-12.400111.5A324 D325 S326 K331 Q332A324-Q328 WeakPolarHBondContact O-CG 3.33Å; A324-Q328 PolarHBondContact O-N 2.84Å; D325-Q328 WeakPolarHBondContact O-CB 3.47Å; D325-Q328 PolarHBondContact O-N 2.67Å; D325-Q328 VanDerWaalsContact O-N 3.12Å; S326-Q328 VanDerWaalsContact C-N 3.34Å; S326-Q328 PolarHBondContact O-N 2.93Å; Q328-K331 PolarHBondContact O-N 3.41Å; Q328-Q332 WeakPolarHBondContact O-CG 3.49Å; Q328-Q332 PolarHBondContact O-N 3.31Å
329L93.2Very high85.3Confident112 Ų112117.7 Ų117.759%0.58661%0.611SS**Hα-helixtrans-61.6-44.8176.8-68.7173.9000112D325 S326 K331 Q332 A333D325-L329 WeakPolarHBondContact O-CG 3.31Å; D325-L329 PolarHBondContact O-N 2.97Å; S326-L329 PolarHBondContact O-N 2.88Å; L329-K331 VanDerWaalsContact C-N 3.33Å; L329-K331 PolarHBondContact O-N 3.49Å; L329-Q332 PolarHBondContact O-N 2.87Å; L329-A333 WeakPolarHBondContact O-CB 3.44Å; L329-A333 PolarHBondContact O-N 3.21Å
330I92Very high83.4Confident72 Ų72123.8 Ų123.837%0.36965%0.651SS.*Hα-helixtrans-62.7-41.4176.4-68.6164.9000110.6L322 S326 Q332 A333 L334L322-I330 HydrophobicContact CD1-CD1 3.93Å; S326-I330 WeakPolarHBondContact O-CB 3.29Å; S326-I330 WeakPolarHBondContact O-CD1 3.44Å; S326-I330 VanDerWaalsContact O-CG1 3.23Å; S326-I330 WeakPolarHBondContact O-CG1 2.99Å; S326-I330 PolarHBondContact O-N 3.18Å; I330-Q332 VanDerWaalsContact C-N 3.3Å; I330-Q332 PolarHBondContact O-N 2.87Å; I330-A333 PolarHBondContact O-N 3.18Å; I330-L334 HydrophobicContact CG2-CD1 3.58Å; I330-L334 HydrophobicContact CG2-CG 4.11Å; I330-L334 WeakPolarHBondContact O-CB 3.48Å; I330-L334 WeakPolarHBondContact O-CG 3.33Å; I330-L334 PolarHBondContact O-N 2.91Å
331K89.8Confident82.8Confident167 Ų167120.4 Ų120.473%0.72664%0.639SS**Hα-helixtrans-62.7-36.9176.8-172.5178-178.6-178.70112.2K327 Q328 L329 N335K327-K331 WeakPolarHBondContact O-CB 3.37Å; K327-K331 PolarHBondContact O-N 3.33Å; Q328-K331 PolarHBondContact O-N 3.41Å; L329-K331 VanDerWaalsContact C-N 3.33Å; L329-K331 PolarHBondContact O-N 3.49Å; K331-N335 PolarHBondContact O-N 2.92Å
332Q90.9Very high82.2Confident138 Ų138117.2 Ų117.265%0.64563%0.631SS**Hα-helixtrans-70.1-42.4174.7-72174.2-13.700111.8Q328 L329 I330 N335Q328-Q332 WeakPolarHBondContact O-CG 3.49Å; Q328-Q332 PolarHBondContact O-N 3.31Å; L329-Q332 PolarHBondContact O-N 2.87Å; I330-Q332 VanDerWaalsContact C-N 3.3Å; I330-Q332 PolarHBondContact O-N 2.87Å; Q332-N335 WeakPolarHBondContact O-CB 3.24Å
333A89.3Confident81.6Confident85 Ų85119.8 Ų119.870%0.70265%0.646SS**Hα-helixtrans-68.5-42.7-179.800000112.4L329 I330 N335L329-A333 WeakPolarHBondContact O-CB 3.44Å; L329-A333 PolarHBondContact O-N 3.21Å; I330-A333 PolarHBondContact O-N 3.18Å; A333-N335 VanDerWaalsContact C-N 3.27Å; A333-N335 PolarHBondContact O-N 3.21Å
334L87.8Confident80.7Confident92 Ų92123.3 Ų123.348%0.48266%0.659SS.*THydrogen-bonded Turntrans-92.233.1178.3-58.9179.6000111.9I330 L336I330-L334 HydrophobicContact CG2-CD1 3.58Å; I330-L334 HydrophobicContact CG2-CG 4.11Å; I330-L334 WeakPolarHBondContact O-CB 3.48Å; I330-L334 WeakPolarHBondContact O-CG 3.33Å; I330-L334 PolarHBondContact O-N 2.91Å; L334-L336 WeakPolarHBondContact O-CG 3.39Å; L334-L336 PolarHBondContact O-N 3.03Å
335N81.5Confident79.8Confident128 Ų128126.7 Ų126.768%0.68466%0.664SS**  trans-68.969.6177.9-162.721.2000110K331 Q332 A333 Q337K331-N335 PolarHBondContact O-N 2.92Å; Q332-N335 WeakPolarHBondContact O-CB 3.24Å; A333-N335 VanDerWaalsContact C-N 3.27Å; A333-N335 PolarHBondContact O-N 3.21Å; N335-Q337 PolarHBondContact O-N 3.12Å; N335-Q337 VanDerWaalsContact O-N 3.07Å
336L66.1Low78.7Confident131 Ų131127.6 Ų127.669%0.68667%0.668SS**  trans-66104.6174.7-67.4168.6000104.7L334 Y338L334-L336 WeakPolarHBondContact O-CG 3.39Å; L334-L336 PolarHBondContact O-N 3.03Å; L336-Y338 PolarHBondContact O-N 2.91Å
337Q56.1Low77.6Confident183 Ų183133.3 Ų133.386%0.85569%0.692SS**  trans-59.499.6161.8-69.8-164.7-4.100106.1N335 S339N335-Q337 PolarHBondContact O-N 3.12Å; N335-Q337 VanDerWaalsContact O-N 3.07Å; Q337-S339 PolarHBondContact O-N 2.82Å
338Y51.2Low76.5Confident212 Ų212134.2 Ų134.283%0.83170%0.704SS**  trans-61.194.7162.2-101.9-93.6000105.6L336 P340L336-Y338 PolarHBondContact O-N 2.91Å; Y338-P340 WeakPolarHBondContact O-CD 3.37Å
339S47.1Very low75.1Confident110 Ų110135.2 Ų135.277%0.76972%0.715SS**  trans-75.7114.5160.9-148.70000105.3Q337Q337-S339 PolarHBondContact O-N 2.82Å
340P56.3Low73.4Confident192 Ų192137.3 Ų137.3100%1.24773%0.727SS**  trans-63.10-17526.2-34.4000113.5Y338Y338-P340 WeakPolarHBondContact O-CD 3.37Å

Retrieved 340 of 340 residues in 196.7 ms (Link to these results)

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