A0A077YY60_TRITR Loading...

Dynein light chain

AlphaFold DB , UniProt , Accession A0A077YY60, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 103 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
1M36.4Very low66.3Low232 Ų232136.4 Ų136.4100%1.14370%0.7SS**  0126.40-59.9-175.8-166.600106.5Q3M1-Q3 PolarHBondContact O-N 3.14Å; M1-Q3 VanDerWaalsContact O-N 3.14Å
2P44.1Very low67.5Low137 Ų137128.5 Ų128.589%0.8967%0.671SS**  trans-62.7119.5174.9-13.528.1000108Y4P2-Y4 PolarHBondContact O-N 3.1Å
3Q56.6Low68.4Low186 Ų186127.2 Ų127.287%0.86966%0.664SS**  trans-63.2128.4176.3-165.2167.32.800107.7M1 A5M1-Q3 PolarHBondContact O-N 3.14Å; M1-Q3 VanDerWaalsContact O-N 3.14Å; Q3-A5 PolarHBondContact O-N 3.49Å; Q3-A5 VanDerWaalsContact O-N 3.1Å
4Y51Low69.2Low228 Ų228123.9 Ų123.989%0.89465%0.652SS**  trans-38.8112.9-170.6-60.7-88.1000112.8P2 N6P2-Y4 PolarHBondContact O-N 3.1Å; Y4-N6 PolarHBondContact O-N 3.32Å
5A65.9Low69.9Low61 Ų61123 Ų12350%0.50464%0.641SS.*  trans-55.2128.9164.800000107.4Q3 D9 V10Q3-A5 PolarHBondContact O-N 3.49Å; Q3-A5 VanDerWaalsContact O-N 3.1Å; A5-D9 HydrophobicContact CB-CB 4.06Å; A5-V10 HydrophobicContact CB-CG2 4.07Å
6N76.9Confident70.3Confident79 Ų79122 Ų12242%0.42263%0.626SS.*  trans-66.4160.4-177.967.255.5000109.6Y4 H8 D9 V10Y4-N6 PolarHBondContact O-N 3.32Å; N6-H8 PolarHBondContact O-N 3.12Å; N6-H8 VanDerWaalsContact O-N 3.12Å; N6-H8 WeakPolarHBondContact OD1-CA 3.25Å; N6-H8 VanDerWaalsContact OD1-CB 3.25Å; N6-H8 WeakPolarHBondContact OD1-CB 3.36Å; N6-H8 PolarHBondContact OD1-N 3.47Å; N6-D9 PolarHBondContact N-OD2 2.99Å; N6-D9 VanDerWaalsContact N-OD2 3.1Å; N6-D9 PolarHBondContact ND2-OD1 3.04Å; N6-D9 PolarHBondContact ND2-OD2 2.94Å; N6-D9 WeakPolarHBondContact O-CB 3.42Å; N6-D9 PolarHBondContact O-N 3.1Å; N6-D9 PolarHBondContact OD1-N 3.27Å; N6-D9 PolarHBondContact OD1-OD1 3.38Å; N6-D9 PolarHBondContact OD1-OD2 3.35Å; N6-V10 PolarHBondContact O-N 3.1Å; N6-V10 VanDerWaalsContact O-N 3.1Å
7E74.9Confident70.5Confident168 Ų168119.5 Ų119.579%0.78562%0.618SS**Hα-helixtrans-55.8-33-178.2-69.6-177.5167.400112.4V10 V11E7-V10 PolarHBondContact O-N 2.83Å; E7-V11 WeakPolarHBondContact O-CB 3.2Å; E7-V11 VanDerWaalsContact O-CG2 3.25Å; E7-V11 WeakPolarHBondContact O-CG2 3.22Å; E7-V11 PolarHBondContact O-N 3.5Å
8H76.9Confident70.8Confident158 Ų158118 Ų11873%0.73162%0.615SS**Hα-helixtrans-67.1-39.9175.6-68.5-85.4000112.6N6 V10 V11 A12N6-H8 PolarHBondContact O-N 3.12Å; N6-H8 VanDerWaalsContact O-N 3.12Å; N6-H8 WeakPolarHBondContact OD1-CA 3.25Å; N6-H8 VanDerWaalsContact OD1-CB 3.25Å; N6-H8 WeakPolarHBondContact OD1-CB 3.36Å; N6-H8 PolarHBondContact OD1-N 3.47Å; H8-V10 VanDerWaalsContact C-N 3.32Å; H8-V11 PolarHBondContact O-N 2.84Å; H8-A12 VanDerWaalsContact O-CB 3.28Å; H8-A12 WeakPolarHBondContact O-CB 3.25Å; H8-A12 PolarHBondContact O-N 2.83Å
9D81.5Confident71.2Confident80 Ų80115.4 Ų115.443%0.42860%0.601SS.*Hα-helixtrans-63.8-41.6176.6-60.7-24000110.2A5 N6 A12 L13A5-D9 HydrophobicContact CB-CB 4.06Å; N6-D9 PolarHBondContact N-OD2 2.99Å; N6-D9 VanDerWaalsContact N-OD2 3.1Å; N6-D9 PolarHBondContact ND2-OD1 3.04Å; N6-D9 PolarHBondContact ND2-OD2 2.94Å; N6-D9 WeakPolarHBondContact O-CB 3.42Å; N6-D9 PolarHBondContact O-N 3.1Å; N6-D9 PolarHBondContact OD1-N 3.27Å; N6-D9 PolarHBondContact OD1-OD1 3.38Å; N6-D9 PolarHBondContact OD1-OD2 3.35Å; D9-A12 PolarHBondContact O-N 3.06Å; D9-L13 WeakPolarHBondContact O-CB 3.5Å; D9-L13 PolarHBondContact O-N 2.77Å
10V82.5Confident71.9Confident69 Ų69112.4 Ų112.442%0.41858%0.582SS.*Hα-helixtrans-66.2-45.1177.5179.50000110.4A5 N6 E7 H8 L13 V14A5-V10 HydrophobicContact CB-CG2 4.07Å; N6-V10 PolarHBondContact O-N 3.1Å; N6-V10 VanDerWaalsContact O-N 3.1Å; E7-V10 PolarHBondContact O-N 2.83Å; H8-V10 VanDerWaalsContact C-N 3.32Å; V10-L13 PolarHBondContact O-N 3.44Å; V10-V14 HydrophobicContact CG1-CG2 4.32Å; V10-V14 WeakPolarHBondContact O-CB 3.4Å; V10-V14 VanDerWaalsContact O-CG2 3.23Å; V10-V14 WeakPolarHBondContact O-CG2 3.23Å; V10-V14 PolarHBondContact O-N 2.83Å
11V82.1Confident72.8Confident102 Ų102113.4 Ų113.462%0.61858%0.582SS**Hα-helixtrans-63.1-43.9177.1170.10000111.1E7 H8 V14 F15E7-V11 WeakPolarHBondContact O-CB 3.2Å; E7-V11 VanDerWaalsContact O-CG2 3.25Å; E7-V11 WeakPolarHBondContact O-CG2 3.22Å; E7-V11 PolarHBondContact O-N 3.5Å; H8-V11 PolarHBondContact O-N 2.84Å; V11-V14 PolarHBondContact O-N 3.17Å; V11-F15 VanDerWaalsContact O-CB 3.29Å; V11-F15 WeakPolarHBondContact O-CB 3.28Å; V11-F15 PolarHBondContact O-N 3.46Å
12A80.7Confident75.6Confident42 Ų42104.4 Ų104.435%0.34754%0.541SS..Hα-helixtrans-61.4-48.2175.800000110.7H8 D9 V14 F15 W16H8-A12 VanDerWaalsContact O-CB 3.28Å; H8-A12 WeakPolarHBondContact O-CB 3.25Å; H8-A12 PolarHBondContact O-N 2.83Å; D9-A12 PolarHBondContact O-N 3.06Å; A12-V14 PolarHBondContact O-N 2.85Å; A12-F15 WeakPolarHBondContact O-CB 3.36Å; A12-F15 PolarHBondContact O-N 3.44Å; A12-F15 VanDerWaalsContact O-N 3.17Å; A12-W16 PolarHBondContact O-N 2.83Å
13L79.5Confident78.1Confident111 Ų111101 Ų10158%0.58152%0.518SS*.Hα-helixtrans-59.7-46.3177.8-178.565000111.7D9 V10 F15 W16 V17D9-L13 WeakPolarHBondContact O-CB 3.5Å; D9-L13 PolarHBondContact O-N 2.77Å; V10-L13 PolarHBondContact O-N 3.44Å; L13-F15 VanDerWaalsContact C-N 3.31Å; L13-F15 PolarHBondContact O-N 3.3Å; L13-W16 PolarHBondContact O-N 3.45Å; L13-V17 HydrophobicContact CD1-CG2 4.11Å; L13-V17 HydrophobicContact CG-CG2 4.34Å; L13-V17 WeakPolarHBondContact O-CB 3.46Å; L13-V17 WeakPolarHBondContact O-CG2 3.29Å; L13-V17 PolarHBondContact O-N 2.83Å
14V80Confident80Confident81 Ų8194.6 Ų94.649%0.49149%0.491SS..Hα-helixtrans-61.4-42.4175.8170.60000110.4V10 V11 A12 V17 T18V10-V14 HydrophobicContact CG1-CG2 4.32Å; V10-V14 WeakPolarHBondContact O-CB 3.4Å; V10-V14 VanDerWaalsContact O-CG2 3.23Å; V10-V14 WeakPolarHBondContact O-CG2 3.23Å; V10-V14 PolarHBondContact O-N 2.83Å; V11-V14 PolarHBondContact O-N 3.17Å; A12-V14 PolarHBondContact O-N 2.85Å; V14-V17 PolarHBondContact O-N 2.65Å; V14-T18 HydrophobicContact CG1-CG2 4.23Å; V14-T18 VanDerWaalsContact O-CB 3.29Å; V14-T18 WeakPolarHBondContact O-CB 3.44Å; V14-T18 WeakPolarHBondContact O-CG2 3.29Å; V14-T18 PolarHBondContact O-N 2.89Å; V14-T18 PolarHBondContact O-OG1 3.46Å
15F79.7Confident82.2Confident111 Ų11189.1 Ų89.149%0.48747%0.474SS..Hα-helixtrans-62.3-44.4176.3-178.1-91.4000112V11 A12 L13 T18 N19 Y20V11-F15 VanDerWaalsContact O-CB 3.29Å; V11-F15 WeakPolarHBondContact O-CB 3.28Å; V11-F15 PolarHBondContact O-N 3.46Å; A12-F15 WeakPolarHBondContact O-CB 3.36Å; A12-F15 PolarHBondContact O-N 3.44Å; A12-F15 VanDerWaalsContact O-N 3.17Å; L13-F15 VanDerWaalsContact C-N 3.31Å; L13-F15 PolarHBondContact O-N 3.3Å; F15-T18 WeakPolarHBondContact CA-OG1 3.21Å; F15-T18 PolarHBondContact O-N 2.8Å; F15-T18 PolarHBondContact O-OG1 2.9Å; F15-T18 VanDerWaalsContact O-OG1 3.09Å; F15-N19 WeakPolarHBondContact CD2-ND2 3.23Å; F15-N19 HydrophobicContact CE1-CB 4.46Å; F15-N19 VanDerWaalsContact CE2-ND2 3.28Å; F15-N19 WeakPolarHBondContact CE2-ND2 3.3Å; F15-N19 HydrophobicContact CZ-CB 4.47Å; F15-N19 VanDerWaalsContact O-CB 3.3Å; F15-N19 WeakPolarHBondContact O-CB 3.37Å; F15-N19 PolarHBondContact O-N 2.89Å; F15-N19 PolarHBondContact O-ND2 3.09Å; F15-Y20 HydrophobicContact CE1-CE2 4.11Å
16W76.8Confident83.7Confident107 Ų10791.1 Ų91.141%0.40548%0.475SS..Hα-helixtrans-62.5-49.8175.3-78.6110.7000112A12 L13 T18 N19 Y20 K21 N46A12-W16 PolarHBondContact O-N 2.83Å; L13-W16 PolarHBondContact O-N 3.45Å; W16-T18 PolarHBondContact O-N 3.36Å; W16-N19 PolarHBondContact O-N 3.32Å; W16-Y20 HydrophobicContact CD2-CD2 4.4Å; W16-Y20 AromaticContact CE3-CD2 3.55Å; W16-Y20 HydrophobicContact CE3-CD2 3.55Å; W16-Y20 HydrophobicContact CE3-CE2 4.38Å; W16-Y20 AromaticContact CE3-CG 3.75Å; W16-Y20 HydrophobicContact CE3-CG 3.75Å; W16-Y20 HydrophobicContact CZ3-CD1 4.34Å; W16-Y20 AromaticContact CZ3-CD2 3.63Å; W16-Y20 HydrophobicContact CZ3-CD2 3.63Å; W16-Y20 HydrophobicContact CZ3-CE2 4.12Å; W16-Y20 AromaticContact CZ3-CG 3.76Å; W16-Y20 HydrophobicContact CZ3-CG 3.76Å; W16-Y20 CarbonylContact O-C 3.51Å; W16-Y20 WeakPolarHBondContact O-CA 3.13Å; W16-Y20 WeakPolarHBondContact O-CB 3.37Å; W16-Y20 PolarHBondContact O-N 3.44Å; W16-K21 PolarHBondContact O-N 3.35Å; W16-N46 WeakPolarHBondContact CH2-ND2 3.42Å; W16-N46 WeakPolarHBondContact CH2-OD1 3.49Å; W16-N46 WeakPolarHBondContact CZ3-OD1 3.26Å
17V73.7Confident84.7Confident80 Ų8089.1 Ų89.149%0.48547%0.468SS..Hα-helixtrans-63.1-33.5-180171.80000111.4L13 V14 K21L13-V17 HydrophobicContact CD1-CG2 4.11Å; L13-V17 HydrophobicContact CG-CG2 4.34Å; L13-V17 WeakPolarHBondContact O-CB 3.46Å; L13-V17 WeakPolarHBondContact O-CG2 3.29Å; L13-V17 PolarHBondContact O-N 2.83Å; V14-V17 PolarHBondContact O-N 2.65Å; V17-K21 WeakPolarHBondContact O-CB 3.4Å
18T74.5Confident85.7Confident92 Ų9285 Ų8556%0.56445%0.449SS*.Hα-helixtrans-82.7-33.1179.152.70000113.4V14 F15 W16V14-T18 HydrophobicContact CG1-CG2 4.23Å; V14-T18 VanDerWaalsContact O-CB 3.29Å; V14-T18 WeakPolarHBondContact O-CB 3.44Å; V14-T18 WeakPolarHBondContact O-CG2 3.29Å; V14-T18 PolarHBondContact O-N 2.89Å; V14-T18 PolarHBondContact O-OG1 3.46Å; F15-T18 WeakPolarHBondContact CA-OG1 3.21Å; F15-T18 PolarHBondContact O-N 2.8Å; F15-T18 PolarHBondContact O-OG1 2.9Å; F15-T18 VanDerWaalsContact O-OG1 3.09Å; W16-T18 PolarHBondContact O-N 3.36Å
19N79.3Confident86.6Confident68 Ų6878.3 Ų78.336%0.36442%0.418SS..Hα-helixtrans-106.4-18.4-172.9-66.2-76.3000115.3F15 W16 G95F15-N19 WeakPolarHBondContact CD2-ND2 3.23Å; F15-N19 HydrophobicContact CE1-CB 4.46Å; F15-N19 VanDerWaalsContact CE2-ND2 3.28Å; F15-N19 WeakPolarHBondContact CE2-ND2 3.3Å; F15-N19 HydrophobicContact CZ-CB 4.47Å; F15-N19 VanDerWaalsContact O-CB 3.3Å; F15-N19 WeakPolarHBondContact O-CB 3.37Å; F15-N19 PolarHBondContact O-N 2.89Å; F15-N19 PolarHBondContact O-ND2 3.09Å; W16-N19 PolarHBondContact O-N 3.32Å; N19-G95 WeakPolarHBondContact O-CA 3.28Å; N19-G95 PolarHBondContact O-N 2.84Å
20Y84.5Confident87.4Confident55 Ų5579.3 Ų79.322%0.21642%0.423CS..SBendtrans-135.410-171.5-70.3-77.9000113.5F15 W16 P22 L45 I94F15-Y20 HydrophobicContact CE1-CE2 4.11Å; W16-Y20 HydrophobicContact CD2-CD2 4.4Å; W16-Y20 AromaticContact CE3-CD2 3.55Å; W16-Y20 HydrophobicContact CE3-CD2 3.55Å; W16-Y20 HydrophobicContact CE3-CE2 4.38Å; W16-Y20 AromaticContact CE3-CG 3.75Å; W16-Y20 HydrophobicContact CE3-CG 3.75Å; W16-Y20 HydrophobicContact CZ3-CD1 4.34Å; W16-Y20 AromaticContact CZ3-CD2 3.63Å; W16-Y20 HydrophobicContact CZ3-CD2 3.63Å; W16-Y20 HydrophobicContact CZ3-CE2 4.12Å; W16-Y20 AromaticContact CZ3-CG 3.76Å; W16-Y20 HydrophobicContact CZ3-CG 3.76Å; W16-Y20 CarbonylContact O-C 3.51Å; W16-Y20 WeakPolarHBondContact O-CA 3.13Å; W16-Y20 WeakPolarHBondContact O-CB 3.37Å; W16-Y20 PolarHBondContact O-N 3.44Å; Y20-P22 WeakPolarHBondContact O-CD 3.35Å; Y20-L45 HydrophobicContact CD1-CD1 4.47Å; Y20-L45 HydrophobicContact CE1-CB 3.86Å; Y20-L45 HydrophobicContact CE1-CD1 4.33Å; Y20-I94 HydrophobicContact CD1-CG2 3.73Å; Y20-I94 HydrophobicContact CG-CG2 4.46Å
21K91Very high88.1Confident135 Ų13581.7 Ų81.759%0.58743%0.434SS*.  trans-63.2120.6170.9179.2178.9177.6-173.40109.4W16 V17W16-K21 PolarHBondContact O-N 3.35Å; V17-K21 WeakPolarHBondContact O-CB 3.4Å
22P95.5Very high88.8Confident42 Ų4283.8 Ų83.827%0.27344%0.437SS..EExtended strand (participates in β ladder)trans-73.3140.4175.3-15.732.3000111Y20 I38 I42 F93 I94Y20-P22 WeakPolarHBondContact O-CD 3.35Å; P22-I38 HydrophobicContact CB-CD1 3.9Å; P22-I38 HydrophobicContact CB-CG1 4Å; P22-I38 HydrophobicContact CB-CG2 3.88Å; P22-I38 HydrophobicContact CG-CG1 4.49Å; P22-I38 HydrophobicContact CG-CG2 3.41Å; P22-I38 VanDerWaalsContact CG-CG2 3.41Å; P22-I42 HydrophobicContact CG-CD1 4.01Å; P22-F93 CarbonylContact C-O 3.55Å; P22-F93 VanDerWaalsContact CA-O 3.27Å; P22-F93 WeakPolarHBondContact CA-O 3.28Å; P22-I94 HydrophobicContact CB-CG1 4.12Å; P22-I94 HydrophobicContact CG-CG1 4.33Å
23T96Very high89.6Confident66 Ų6681.9 Ų81.941%0.40542%0.421SS..EExtended strand (participates in β ladder)trans-130.1115171-56.70000108.2Y92 F93T23-Y92 CarbonylContact O-C 3.55Å; T23-Y92 VanDerWaalsContact O-CA 3.27Å; T23-Y92 WeakPolarHBondContact O-CA 3.48Å; T23-Y92 WeakPolarHBondContact O-CB 3.4Å; T23-F93 PolarHBondContact N-O 3.3Å; T23-F93 PolarHBondContact O-N 3.36Å
24V97.6Very high90.5Very high52 Ų5278.6 Ų78.632%0.31540%0.403SS..EExtended strand (participates in β ladder)trans-84.9120.7175.5-178.90000108.2I38 I90V24-I38 HydrophobicContact CG2-CD1 4.07Å; V24-I90 HydrophobicContact CG1-CD1 4.41Å; V24-I90 HydrophobicContact CG1-CG1 4.24Å; V24-I90 HydrophobicContact CG2-CD1 4.43Å
25E96.5Very high91.3Very high112 Ų11279 Ų7952%0.52340%0.402SS..EExtended strand (participates in β ladder)trans-91.2-46178.5-70.9-65.4140.400110.9Y91 F93E25-Y91 HydrophobicContact CB-CD1 3.83Å; E25-Y91 HydrophobicContact CB-CE1 4.21Å; E25-Y91 HydrophobicContact CG-CD1 4.48Å; E25-Y91 HydrophobicContact CG-CE1 4.42Å; E25-Y91 PolarHBondContact N-O 3.29Å; E25-F93 HydrophobicContact CG-CD2 3.63Å; E25-F93 HydrophobicContact CG-CE2 3.64Å
26L97.1Very high92.2Very high103 Ų10375.3 Ų75.354%0.53939%0.387SS..EExtended strand (participates in β ladder)trans-140.7137.6177.7-61.3169.9000109.4F89 I90 Y91L26-F89 HydrophobicContact CB-CE1 3.69Å; L26-F89 HydrophobicContact CB-CZ 3.92Å; L26-F89 HydrophobicContact CD1-CZ 4.37Å; L26-I90 WeakPolarHBondContact O-CA 3.5Å; L26-Y91 PolarHBondContact N-O 2.88Å; L26-Y91 VanDerWaalsContact N-O 3.07Å; L26-Y91 PolarHBondContact O-N 3.46Å
27S97.7Very high93.2Very high38 Ų3870.2 Ų70.227%0.26637%0.368SS..EExtended strand (participates in β ladder)trans-155.1142.9172.3-165.80000110.9M29 Q34 F89S27-M29 PolarHBondContact OG-N 2.63Å; S27-M29 VanDerWaalsContact OG-N 3.08Å; S27-Q34 WeakPolarHBondContact OG-CG 3.13Å; S27-F89 WeakPolarHBondContact CA-O 3.07Å; S27-F89 PolarHBondContact OG-O 2.82Å
28E97.2Very high94.3Very high82 Ų8267.3 Ų67.338%0.38335%0.35SS..  trans-107.21.1163.6-63.3178.1-168.500111.8H84 N87 F89E28-H84 IonicContact OE1-CD2 2.95Å; E28-H84 IonicContact OE1-CE1 3.3Å; E28-H84 IonicContact OE1-NE2 3.32Å; E28-H84 PolarHBondContact OE1-NE2 3.47Å; E28-H84 IonicContact OE2-CD2 3.76Å; E28-H84 IonicContact OE2-NE2 2.77Å; E28-H84 PolarHBondContact OE2-NE2 3.44Å; E28-N87 WeakPolarHBondContact O-CA 3.49Å; E28-N87 PolarHBondContact OE2-N 3.15Å; E28-F89 HydrophobicContact CG-CD1 4.22Å; E28-F89 PolarHBondContact N-O 2.85Å
29M96.2Very high95.4Very high17 Ų1767.7 Ų67.78%0.08435%0.348CS..SBendtrans-80.3153.4177.6-63.1178.9-178.800110.7S27 Q34 F62 W70 I90 L101S27-M29 PolarHBondContact OG-N 2.63Å; S27-M29 VanDerWaalsContact OG-N 3.08Å; M29-Q34 HydrophobicContact CB-CG 4.04Å; M29-Q34 PolarHBondContact O-NE2 3.45Å; M29-F62 HydrophobicContact CE-CD1 4.35Å; M29-F62 HydrophobicContact CE-CE1 3.66Å; M29-F62 HydrophobicContact CE-CZ 4.37Å; M29-F62 HydrophobicContact SD-CE1 3.85Å; M29-F62 HydrophobicContact SD-CZ 4.19Å; M29-W70 HydrophobicContact CE-CE3 4.46Å; M29-W70 HydrophobicContact CE-CH2 3.51Å; M29-W70 HydrophobicContact CE-CZ3 3.31Å; M29-I90 HydrophobicContact CE-CB 4.19Å; M29-I90 HydrophobicContact CE-CG2 3.73Å; M29-I90 HydrophobicContact SD-CB 3.89Å; M29-I90 HydrophobicContact SD-CG2 3.73Å; M29-L101 HydrophobicContact CE-CD2 4.15Å; M29-L101 HydrophobicContact CE-CG 4.44Å
30D96.6Very high96.3Very high100 Ų10065.9 Ų65.954%0.53534%0.338SS..  trans-70.5173166.761.714000111.8E32 G33 Q34D30-E32 PolarHBondContact O-N 2.89Å; D30-E32 PolarHBondContact OD1-N 3.5Å; D30-G33 PolarHBondContact O-N 3.37Å; D30-G33 PolarHBondContact OD1-N 3.42Å; D30-Q34 WeakPolarHBondContact O-CG 2.99Å; D30-Q34 PolarHBondContact O-N 3.28Å
31D97.2Very high96.9Very high120 Ų12063.3 Ų63.364%0.64233%0.328SS*.Hα-helixtrans-58.5-33.7-179.1-67.5-14000111.9N35D31-N35 VanDerWaalsContact O-CB 3.26Å; D31-N35 WeakPolarHBondContact O-CB 3.36Å; D31-N35 PolarHBondContact O-N 3.24Å; D31-N35 PolarHBondContact O-ND2 3.23Å
32E97.1Very high97.1Very high146 Ų14658.8 Ų58.868%0.68231%0.31SS*.Hα-helixtrans-66.2-47.8178.6-172.6174-179.100111.3D30 N35 L36D30-E32 PolarHBondContact O-N 2.89Å; D30-E32 PolarHBondContact OD1-N 3.5Å; E32-N35 PolarHBondContact O-N 3.07Å; E32-L36 WeakPolarHBondContact O-CB 3.16Å; E32-L36 PolarHBondContact O-N 3.39Å
33G97.6Very high97Very high1 Ų161.4 Ų61.41%0.0132%0.319CS..Hα-helixtrans-63.9-41.6175.800000112.8D30 L36 A37 F62 Y66D30-G33 PolarHBondContact O-N 3.37Å; D30-G33 PolarHBondContact OD1-N 3.42Å; G33-L36 PolarHBondContact O-N 3.25Å; G33-A37 PolarHBondContact O-N 3.35Å; G33-F62 WeakPolarHBondContact O-CZ 3.27Å; G33-Y66 VanDerWaalsContact CA-OH 3.29Å; G33-Y66 WeakPolarHBondContact CA-OH 3.47Å
34Q98.2Very high97Very high43 Ų4358.3 Ų58.320%0.20130%0.3CS..Hα-helixtrans-62.3-46.4176-67.6-177.24300111.8S27 M29 D30 L36 A37 I38 I90S27-Q34 WeakPolarHBondContact OG-CG 3.13Å; M29-Q34 HydrophobicContact CB-CG 4.04Å; M29-Q34 PolarHBondContact O-NE2 3.45Å; D30-Q34 WeakPolarHBondContact O-CG 2.99Å; D30-Q34 PolarHBondContact O-N 3.28Å; Q34-L36 PolarHBondContact O-N 3.34Å; Q34-A37 PolarHBondContact O-N 2.99Å; Q34-I38 VanDerWaalsContact O-CG1 3.32Å; Q34-I38 WeakPolarHBondContact O-CG1 3.35Å; Q34-I38 PolarHBondContact O-N 2.93Å; Q34-I90 HydrophobicContact CB-CD1 4.09Å; Q34-I90 HydrophobicContact CG-CD1 3.82Å
35N97.6Very high96.8Very high89 Ų8956.2 Ų56.248%0.47629%0.287SS..Hα-helixtrans-63.1-42.2178.5-72.8-39.4000111.6D31 E32 A37 I38 D39D31-N35 VanDerWaalsContact O-CB 3.26Å; D31-N35 WeakPolarHBondContact O-CB 3.36Å; D31-N35 PolarHBondContact O-N 3.24Å; D31-N35 PolarHBondContact O-ND2 3.23Å; E32-N35 PolarHBondContact O-N 3.07Å; N35-A37 PolarHBondContact O-N 2.88Å; N35-I38 PolarHBondContact O-N 3.35Å; N35-D39 WeakPolarHBondContact O-CB 3.37Å; N35-D39 PolarHBondContact O-N 3.31Å
36L97.9Very high96.5Very high33 Ų3354.1 Ų54.117%0.17328%0.279CS..Hα-helixtrans-60.9-43.9176.2-17964.5000112.1E32 G33 Q34 I38 D39 L40 F62 F65 Y66E32-L36 WeakPolarHBondContact O-CB 3.16Å; E32-L36 PolarHBondContact O-N 3.39Å; G33-L36 PolarHBondContact O-N 3.25Å; Q34-L36 PolarHBondContact O-N 3.34Å; L36-I38 VanDerWaalsContact C-N 3.34Å; L36-I38 PolarHBondContact O-N 3.31Å; L36-D39 PolarHBondContact O-N 2.86Å; L36-L40 HydrophobicContact CD1-CD1 3.99Å; L36-L40 HydrophobicContact CD1-CG 4.1Å; L36-L40 HydrophobicContact CG-CD1 3.93Å; L36-L40 HydrophobicContact CG-CG 4.45Å; L36-L40 WeakPolarHBondContact O-CB 3.26Å; L36-L40 VanDerWaalsContact O-CG 3.26Å; L36-L40 WeakPolarHBondContact O-CG 3.39Å; L36-L40 PolarHBondContact O-N 3.46Å; L36-L40 VanDerWaalsContact O-N 3.07Å; L36-F62 HydrophobicContact CB-CE2 4.4Å; L36-F62 HydrophobicContact CB-CZ 4.39Å; L36-F62 HydrophobicContact CD2-CD2 4.45Å; L36-F62 HydrophobicContact CD2-CE2 4.07Å; L36-F62 HydrophobicContact CD2-CZ 4.27Å; L36-F62 HydrophobicContact CG-CE2 3.98Å; L36-F62 HydrophobicContact CG-CZ 4.36Å; L36-F65 HydrophobicContact CD1-CD2 4.27Å; L36-F65 HydrophobicContact CD1-CE2 4.11Å; L36-F65 HydrophobicContact CD2-CB 4.02Å; L36-F65 HydrophobicContact CD2-CD2 3.81Å; L36-F65 HydrophobicContact CD2-CE2 4.44Å; L36-F65 HydrophobicContact CD2-CG 3.9Å; L36-Y66 HydrophobicContact CD2-CE2 3.81Å
37A98.3Very high96.3Very high0 Ų054.3 Ų54.30%028%0.276CS..Hα-helixtrans-58.9-47.8176.600000111.4G33 Q34 N35 A41 F62 I90 Y92 L101G33-A37 PolarHBondContact O-N 3.35Å; Q34-A37 PolarHBondContact O-N 2.99Å; N35-A37 PolarHBondContact O-N 2.88Å; A37-A41 WeakPolarHBondContact O-CB 3.37Å; A37-A41 PolarHBondContact O-N 2.95Å; A37-A41 VanDerWaalsContact O-N 3.11Å; A37-F62 HydrophobicContact CB-CE2 3.84Å; A37-F62 HydrophobicContact CB-CZ 3.76Å; A37-I90 HydrophobicContact CB-CD1 4.2Å; A37-I90 HydrophobicContact CB-CG2 4.23Å; A37-Y92 HydrophobicContact CB-CE1 4.04Å; A37-Y92 PolarHBondContact O-OH 3Å; A37-L101 HydrophobicContact CB-CD2 4.16Å
38I97.6Very high95.6Very high20 Ų2061 Ų6110%0.10330%0.303CS..Hα-helixtrans-62.2-48.3179.5-72.2168000111.2P22 V24 Q34 N35 L36 L40 A41 I42 Y92P22-I38 HydrophobicContact CB-CD1 3.9Å; P22-I38 HydrophobicContact CB-CG1 4Å; P22-I38 HydrophobicContact CB-CG2 3.88Å; P22-I38 HydrophobicContact CG-CG1 4.49Å; P22-I38 HydrophobicContact CG-CG2 3.41Å; P22-I38 VanDerWaalsContact CG-CG2 3.41Å; V24-I38 HydrophobicContact CG2-CD1 4.07Å; Q34-I38 VanDerWaalsContact O-CG1 3.32Å; Q34-I38 WeakPolarHBondContact O-CG1 3.35Å; Q34-I38 PolarHBondContact O-N 2.93Å; N35-I38 PolarHBondContact O-N 3.35Å; L36-I38 VanDerWaalsContact C-N 3.34Å; L36-I38 PolarHBondContact O-N 3.31Å; I38-L40 PolarHBondContact O-N 2.91Å; I38-A41 PolarHBondContact O-N 3.04Å; I38-I42 HydrophobicContact CG2-CD1 3.68Å; I38-I42 HydrophobicContact CG2-CG1 4.31Å; I38-I42 WeakPolarHBondContact O-CG1 3.49Å; I38-I42 PolarHBondContact O-N 3.05Å; I38-Y92 HydrophobicContact CG1-CD2 4.17Å; I38-Y92 HydrophobicContact CG1-CE2 4.15Å
39D96.9Very high95.2Very high100 Ų10059.6 Ų59.654%0.53530%0.297SS..Hα-helixtrans-63.5-45.3-176.7-76.3-16.2000111.7N35 L36 A41 I42 E43N35-D39 WeakPolarHBondContact O-CB 3.37Å; N35-D39 PolarHBondContact O-N 3.31Å; L36-D39 PolarHBondContact O-N 2.86Å; D39-A41 VanDerWaalsContact C-N 3.29Å; D39-A41 PolarHBondContact O-N 3.22Å; D39-I42 PolarHBondContact O-N 2.86Å; D39-E43 WeakPolarHBondContact O-CB 3.18Å; D39-E43 PolarHBondContact O-N 3.39Å
40L97.7Very high95.1Very high30 Ų3062.7 Ų62.716%0.15732%0.316CS..Hα-helixtrans-59.9-41.3175.6-71.1170.9000111.6L36 I38 A44 I58 F62L36-L40 HydrophobicContact CD1-CD1 3.99Å; L36-L40 HydrophobicContact CD1-CG 4.1Å; L36-L40 HydrophobicContact CG-CD1 3.93Å; L36-L40 HydrophobicContact CG-CG 4.45Å; L36-L40 WeakPolarHBondContact O-CB 3.26Å; L36-L40 VanDerWaalsContact O-CG 3.26Å; L36-L40 WeakPolarHBondContact O-CG 3.39Å; L36-L40 PolarHBondContact O-N 3.46Å; L36-L40 VanDerWaalsContact O-N 3.07Å; I38-L40 PolarHBondContact O-N 2.91Å; L40-A44 VanDerWaalsContact O-CB 3.29Å; L40-A44 WeakPolarHBondContact O-CB 3.32Å; L40-A44 PolarHBondContact O-N 3.41Å; L40-I58 HydrophobicContact CB-CG1 4.16Å; L40-F62 HydrophobicContact CD1-CD2 3.96Å; L40-F62 HydrophobicContact CD1-CE2 4.06Å
41A97.3Very high95.1Very high0 Ų061.4 Ų61.40%031%0.307CS..Hα-helixtrans-68.5-45.1178.600000112.4A37 I38 D39 E43 A44 L45 I58 Y92 I94 I99A37-A41 WeakPolarHBondContact O-CB 3.37Å; A37-A41 PolarHBondContact O-N 2.95Å; A37-A41 VanDerWaalsContact O-N 3.11Å; I38-A41 PolarHBondContact O-N 3.04Å; D39-A41 VanDerWaalsContact C-N 3.29Å; D39-A41 PolarHBondContact O-N 3.22Å; A41-E43 VanDerWaalsContact C-N 3.35Å; A41-A44 PolarHBondContact O-N 2.96Å; A41-L45 VanDerWaalsContact O-CB 3.3Å; A41-L45 WeakPolarHBondContact O-CB 3.44Å; A41-L45 WeakPolarHBondContact O-CD1 3.27Å; A41-L45 WeakPolarHBondContact O-CG 3.36Å; A41-L45 PolarHBondContact O-N 3.49Å; A41-I58 HydrophobicContact CB-CD1 3.72Å; A41-I58 HydrophobicContact CB-CG1 4.25Å; A41-Y92 HydrophobicContact CB-CE2 4.15Å; A41-Y92 WeakPolarHBondContact CB-OH 3.39Å; A41-I94 HydrophobicContact CB-CD1 3.57Å; A41-I99 HydrophobicContact CB-CD1 3.65Å
42I94.6Very high95.1Very high40 Ų4065.7 Ų65.721%0.20532%0.315CS..Hα-helixtrans-59.4-48.2175.4-70.6174.6000109.7P22 I38 D39 A44 L45 N46 I94P22-I42 HydrophobicContact CG-CD1 4.01Å; I38-I42 HydrophobicContact CG2-CD1 3.68Å; I38-I42 HydrophobicContact CG2-CG1 4.31Å; I38-I42 WeakPolarHBondContact O-CG1 3.49Å; I38-I42 PolarHBondContact O-N 3.05Å; D39-I42 PolarHBondContact O-N 2.86Å; I42-A44 VanDerWaalsContact C-N 3.35Å; I42-A44 PolarHBondContact O-N 3.49Å; I42-L45 PolarHBondContact O-N 3.14Å; I42-N46 WeakPolarHBondContact CG2-ND2 3.12Å; I42-N46 VanDerWaalsContact O-CB 3.28Å; I42-N46 WeakPolarHBondContact O-CB 3.29Å; I42-N46 PolarHBondContact O-N 2.97Å; I42-N46 PolarHBondContact O-ND2 2.95Å; I42-N46 PolarHBondContact O-OD1 2.8Å; I42-I94 HydrophobicContact CG1-CD1 3.89Å
43E94.1Very high95.1Very high98 Ų9862.5 Ų62.546%0.45830%0.302SS..Hα-helixtrans-59.4-45.8179.2-171.3-173.3163.100111.6D39 A41 N46 K47D39-E43 WeakPolarHBondContact O-CB 3.18Å; D39-E43 PolarHBondContact O-N 3.39Å; A41-E43 VanDerWaalsContact C-N 3.35Å; E43-N46 PolarHBondContact O-N 3.23Å; E43-K47 WeakPolarHBondContact O-CG 3.3Å; E43-K47 PolarHBondContact O-N 2.85Å; E43-K47 WeakPolarHBondContact OE1-CE 3.43Å; E43-K47 IonicContact OE1-NZ 3.97Å; E43-K47 PolarHBondContact OE1-NZ 3.23Å
44A96Very high95.1Very high1 Ų162.5 Ų62.51%0.00830%0.302CS..Hα-helixtrans-67.1-41.1179.400000112.6L40 A41 I42 K47 M49 V54 E57L40-A44 VanDerWaalsContact O-CB 3.29Å; L40-A44 WeakPolarHBondContact O-CB 3.32Å; L40-A44 PolarHBondContact O-N 3.41Å; A41-A44 PolarHBondContact O-N 2.96Å; I42-A44 VanDerWaalsContact C-N 3.35Å; I42-A44 PolarHBondContact O-N 3.49Å; A44-K47 PolarHBondContact O-N 3.04Å; A44-M49 HydrophobicContact CB-SD 3.99Å; A44-M49 WeakPolarHBondContact O-CB 3.4Å; A44-M49 WeakPolarHBondContact O-CG 3.35Å; A44-M49 PolarHBondContact O-N 2.92Å; A44-V54 HydrophobicContact CB-CB 4.27Å; A44-V54 HydrophobicContact CB-CG1 4.06Å; A44-V54 HydrophobicContact CB-CG2 4.05Å; A44-E57 HydrophobicContact CB-CB 4.12Å; A44-E57 HydrophobicContact CB-CG 4.21Å
45L93.7Very high95.1Very high8 Ų861 Ų614%0.04230%0.297CS..Hα-helixtrans-67.5-36.3177-71.1167.6000111.9Y20 A41 I42 K47 Q48 V54 I94 Y97Y20-L45 HydrophobicContact CD1-CD1 4.47Å; Y20-L45 HydrophobicContact CE1-CB 3.86Å; Y20-L45 HydrophobicContact CE1-CD1 4.33Å; A41-L45 VanDerWaalsContact O-CB 3.3Å; A41-L45 WeakPolarHBondContact O-CB 3.44Å; A41-L45 WeakPolarHBondContact O-CD1 3.27Å; A41-L45 WeakPolarHBondContact O-CG 3.36Å; A41-L45 PolarHBondContact O-N 3.49Å; I42-L45 PolarHBondContact O-N 3.14Å; L45-K47 PolarHBondContact O-N 2.96Å; L45-Q48 WeakPolarHBondContact O-CA 3.29Å; L45-Q48 PolarHBondContact O-N 3.34Å; L45-V54 HydrophobicContact CD2-CG1 4.48Å; L45-V54 HydrophobicContact CD2-CG2 3.97Å; L45-V54 HydrophobicContact CG-CG1 4.36Å; L45-V54 HydrophobicContact CG-CG2 4.34Å; L45-I94 HydrophobicContact CD1-CB 3.99Å; L45-I94 HydrophobicContact CD1-CD1 4.33Å; L45-I94 HydrophobicContact CD1-CG2 3.65Å; L45-Y97 HydrophobicContact CD1-CD2 4.32Å; L45-Y97 HydrophobicContact CD2-CD2 3.68Å; L45-Y97 HydrophobicContact CD2-CE2 3.7Å; L45-Y97 HydrophobicContact CD2-CG 4.2Å
46N90.6Very high95.1Very high68 Ų6858.9 Ų58.936%0.36429%0.292SS..Hα-helixtrans-64.4-30176-70-8.6000112.6W16 I42 E43 Q48W16-N46 WeakPolarHBondContact CH2-ND2 3.42Å; W16-N46 WeakPolarHBondContact CH2-OD1 3.49Å; W16-N46 WeakPolarHBondContact CZ3-OD1 3.26Å; I42-N46 WeakPolarHBondContact CG2-ND2 3.12Å; I42-N46 VanDerWaalsContact O-CB 3.28Å; I42-N46 WeakPolarHBondContact O-CB 3.29Å; I42-N46 PolarHBondContact O-N 2.97Å; I42-N46 PolarHBondContact O-ND2 2.95Å; I42-N46 PolarHBondContact O-OD1 2.8Å; E43-N46 PolarHBondContact O-N 3.23Å; N46-Q48 PolarHBondContact O-N 3.42Å
47K92.1Very high95.1Very high107 Ų10759.5 Ų59.547%0.46529%0.294SS..THydrogen-bonded Turntrans-76.65171.7-66.6170-171.5169.60113.2E43 A44 L45 M49E43-K47 WeakPolarHBondContact O-CG 3.3Å; E43-K47 PolarHBondContact O-N 2.85Å; E43-K47 WeakPolarHBondContact OE1-CE 3.43Å; E43-K47 IonicContact OE1-NZ 3.97Å; E43-K47 PolarHBondContact OE1-NZ 3.23Å; A44-K47 PolarHBondContact O-N 3.04Å; L45-K47 PolarHBondContact O-N 2.96Å; K47-M49 HydrophobicContact CB-CE 4.1Å; K47-M49 HydrophobicContact CB-CG 4.01Å; K47-M49 HydrophobicContact CD-CE 3.67Å; K47-M49 PolarHBondContact O-N 3.11Å
48Q83.6Confident95.1Very high179 Ų17959.5 Ų59.584%0.83629%0.294SS*.THydrogen-bonded Turntrans5338.9-178.8-57.9-176.61300113L45 N46L45-Q48 WeakPolarHBondContact O-CA 3.29Å; L45-Q48 PolarHBondContact O-N 3.34Å; N46-Q48 PolarHBondContact O-N 3.42Å
49M87.3Confident95.2Very high51 Ų5161.2 Ų61.225%0.25130%0.301SS..  trans-69.3154.1178.6-71.8-174.5174.700111.9A44 K47 N53 V54 E57A44-M49 HydrophobicContact CB-SD 3.99Å; A44-M49 WeakPolarHBondContact O-CB 3.4Å; A44-M49 WeakPolarHBondContact O-CG 3.35Å; A44-M49 PolarHBondContact O-N 2.92Å; K47-M49 HydrophobicContact CB-CE 4.1Å; K47-M49 HydrophobicContact CB-CG 4.01Å; K47-M49 HydrophobicContact CD-CE 3.67Å; K47-M49 PolarHBondContact O-N 3.11Å; M49-N53 HydrophobicContact CB-CB 3.86Å; M49-N53 HydrophobicContact CG-CB 4.26Å; M49-N53 HydrophobicContact SD-CB 4.16Å; M49-V54 HydrophobicContact CB-CG2 3.81Å; M49-E57 HydrophobicContact CE-CG 4.11Å; M49-E57 HydrophobicContact SD-CG 3.61Å
50T94.7Very high95.2Very high82 Ų8262.1 Ų62.150%0.50330%0.297SS..  trans-64.2154.8167.963.10000110R52 N53 V54T50-R52 PolarHBondContact O-N 2.87Å; T50-R52 VanDerWaalsContact O-N 3.16Å; T50-N53 WeakPolarHBondContact O-CA 3.44Å; T50-N53 PolarHBondContact O-N 3.16Å; T50-N53 VanDerWaalsContact OG1-CG 3.32Å; T50-N53 PolarHBondContact OG1-N 2.92Å; T50-V54 WeakPolarHBondContact O-CG2 3.36Å; T50-V54 PolarHBondContact O-N 3.08Å
51E96.6Very high95.2Very high74 Ų7461.1 Ų61.135%0.34629%0.294SS..Hα-helixtrans-51.5-41.7177.7-67.9165.7153.800111.7N53 V54 A55 V74 Y97E51-N53 VanDerWaalsContact C-N 3.35Å; E51-N53 PolarHBondContact O-N 3.33Å; E51-V54 PolarHBondContact O-N 2.98Å; E51-A55 PolarHBondContact O-N 2.77Å; E51-V74 HydrophobicContact CB-CB 4.38Å; E51-V74 HydrophobicContact CB-CG1 4.16Å; E51-V74 HydrophobicContact CG-CG1 4.28Å; E51-Y97 HydrophobicContact CG-CD1 4.13Å; E51-Y97 HydrophobicContact CG-CE1 3.77Å
52R97.1Very high95.3Very high210 Ų21061.1 Ų61.179%0.79229%0.294SS*.Hα-helixtrans-57.8-44.3174179.1179.8175170.20.3112.8T50 A56T50-R52 PolarHBondContact O-N 2.87Å; T50-R52 VanDerWaalsContact O-N 3.16Å; R52-A56 WeakPolarHBondContact O-CB 3.48Å; R52-A56 PolarHBondContact O-N 2.79Å
53N97.5Very high95.4Very high78 Ų7861.3 Ų61.342%0.41730%0.295SS..Hα-helixtrans-72-39.6-179.1-74.6-0.2000110.9M49 T50 E51 A55 A56 E57M49-N53 HydrophobicContact CB-CB 3.86Å; M49-N53 HydrophobicContact CG-CB 4.26Å; M49-N53 HydrophobicContact SD-CB 4.16Å; T50-N53 WeakPolarHBondContact O-CA 3.44Å; T50-N53 PolarHBondContact O-N 3.16Å; T50-N53 VanDerWaalsContact OG1-CG 3.32Å; T50-N53 PolarHBondContact OG1-N 2.92Å; E51-N53 VanDerWaalsContact C-N 3.35Å; E51-N53 PolarHBondContact O-N 3.33Å; N53-A55 VanDerWaalsContact C-N 3.34Å; N53-A55 PolarHBondContact O-N 3.07Å; N53-A56 PolarHBondContact O-N 3.06Å; N53-A56 VanDerWaalsContact O-N 3.16Å; N53-E57 WeakPolarHBondContact O-CG 3.42Å; N53-E57 PolarHBondContact O-N 3.42Å
54V97.8Very high95.5Very high1 Ų162.6 Ų62.61%0.00631%0.305CS..Hα-helixtrans-56.9-48.9172.9178.70000110.5A44 L45 M49 T50 E51 A56 E57 I58 V74A44-V54 HydrophobicContact CB-CB 4.27Å; A44-V54 HydrophobicContact CB-CG1 4.06Å; A44-V54 HydrophobicContact CB-CG2 4.05Å; L45-V54 HydrophobicContact CD2-CG1 4.48Å; L45-V54 HydrophobicContact CD2-CG2 3.97Å; L45-V54 HydrophobicContact CG-CG1 4.36Å; L45-V54 HydrophobicContact CG-CG2 4.34Å; M49-V54 HydrophobicContact CB-CG2 3.81Å; T50-V54 WeakPolarHBondContact O-CG2 3.36Å; T50-V54 PolarHBondContact O-N 3.08Å; E51-V54 PolarHBondContact O-N 2.98Å; V54-A56 VanDerWaalsContact C-N 3.3Å; V54-A56 PolarHBondContact O-N 2.8Å; V54-E57 PolarHBondContact O-N 2.94Å; V54-I58 HydrophobicContact CG1-CD1 3.85Å; V54-I58 WeakPolarHBondContact O-CG1 3.36Å; V54-I58 PolarHBondContact O-N 3.2Å; V54-I58 VanDerWaalsContact O-N 3.09Å; V54-V74 HydrophobicContact CB-CG1 4.45Å; V54-V74 HydrophobicContact CB-CG2 4.31Å; V54-V74 HydrophobicContact CG1-CG1 4.33Å; V54-V74 HydrophobicContact CG1-CG2 3.99Å
55A98.5Very high95.5Very high13 Ų1369.6 Ų69.611%0.10734%0.336CS..Hα-helixtrans-58.6-42.1176.800000112.2E51 N53 K59 C72 V74E51-A55 PolarHBondContact O-N 2.77Å; N53-A55 VanDerWaalsContact C-N 3.34Å; N53-A55 PolarHBondContact O-N 3.07Å; A55-K59 VanDerWaalsContact O-CB 3.22Å; A55-K59 WeakPolarHBondContact O-CB 3.45Å; A55-K59 PolarHBondContact O-N 2.73Å; A55-C72 HydrophobicContact CB-CB 4.24Å; A55-V74 HydrophobicContact CB-CB 4.27Å; A55-V74 HydrophobicContact CB-CG2 3.73Å
56A98Very high95.6Very high44 Ų4473.5 Ų73.536%0.36435%0.35SS..Hα-helixtrans-67.1-37.6178.900000113R52 N53 V54 R60R52-A56 WeakPolarHBondContact O-CB 3.48Å; R52-A56 PolarHBondContact O-N 2.79Å; N53-A56 PolarHBondContact O-N 3.06Å; N53-A56 VanDerWaalsContact O-N 3.16Å; V54-A56 VanDerWaalsContact C-N 3.3Å; V54-A56 PolarHBondContact O-N 2.8Å; A56-R60 WeakPolarHBondContact O-CB 3.48Å; A56-R60 PolarHBondContact O-N 2.68Å
57E97.7Very high95.8Very high45 Ų4571.7 Ų71.721%0.2135%0.348CS..Hα-helixtrans-64.6-49.7176-70.1-61118.600111.3A44 M49 N53 V54 R60 G61A44-E57 HydrophobicContact CB-CB 4.12Å; A44-E57 HydrophobicContact CB-CG 4.21Å; M49-E57 HydrophobicContact CE-CG 4.11Å; M49-E57 HydrophobicContact SD-CG 3.61Å; N53-E57 WeakPolarHBondContact O-CG 3.42Å; N53-E57 PolarHBondContact O-N 3.42Å; V54-E57 PolarHBondContact O-N 2.94Å; E57-R60 PolarHBondContact O-N 3.27Å; E57-R60 IonicContact OE1-CZ 2.63Å; E57-R60 IonicContact OE1-NH1 2.73Å; E57-R60 PolarHBondContact OE1-NH1 3.17Å; E57-R60 IonicContact OE1-NH2 3.14Å; E57-R60 PolarHBondContact OE1-NH2 2.91Å; E57-R60 IonicContact OE2-CZ 4Å; E57-R60 IonicContact OE2-NH1 2.62Å; E57-R60 IonicContact OE2-NH2 3.64Å; E57-R60 PolarHBondContact OE2-NH2 3.47Å; E57-G61 PolarHBondContact O-N 3.35Å
58I98.4Very high95.8Very high0 Ų069.1 Ų69.10%035%0.351CS..Hα-helixtrans-60.7-50.9179.5-62164.5000109.9L40 A41 V54 R60 G61 F62 V74 I99 L101L40-I58 HydrophobicContact CB-CG1 4.16Å; A41-I58 HydrophobicContact CB-CD1 3.72Å; A41-I58 HydrophobicContact CB-CG1 4.25Å; V54-I58 HydrophobicContact CG1-CD1 3.85Å; V54-I58 WeakPolarHBondContact O-CG1 3.36Å; V54-I58 PolarHBondContact O-N 3.2Å; V54-I58 VanDerWaalsContact O-N 3.09Å; I58-R60 VanDerWaalsContact C-N 3.31Å; I58-R60 PolarHBondContact O-N 2.99Å; I58-G61 PolarHBondContact O-N 3.28Å; I58-F62 HydrophobicContact CG2-CD2 4.23Å; I58-F62 HydrophobicContact CG2-CE2 4.47Å; I58-F62 WeakPolarHBondContact O-CD2 3.46Å; I58-F62 PolarHBondContact O-N 3.09Å; I58-V74 HydrophobicContact CD1-CG2 4.39Å; I58-I99 HydrophobicContact CD1-CD1 4.43Å; I58-I99 HydrophobicContact CD1-CG2 3.89Å; I58-L101 HydrophobicContact CG2-CD1 4.04Å; I58-L101 HydrophobicContact CG2-CD2 3.79Å; I58-L101 HydrophobicContact CG2-CG 4.4Å
59K98.4Very high96.3Very high57 Ų5768.5 Ų68.525%0.24835%0.346CS..Hα-helixtrans-53.7-48.9176.7-178.7-167.1179.9-23.80111.2A55 G61 F62 D63 W70 C72A55-K59 VanDerWaalsContact O-CB 3.22Å; A55-K59 WeakPolarHBondContact O-CB 3.45Å; A55-K59 PolarHBondContact O-N 2.73Å; K59-G61 VanDerWaalsContact C-N 3.34Å; K59-G61 PolarHBondContact O-N 2.97Å; K59-F62 PolarHBondContact O-N 2.74Å; K59-D63 IonicContact NZ-OD1 3.7Å; K59-D63 PolarHBondContact NZ-OD1 2.99Å; K59-D63 IonicContact NZ-OD2 3.28Å; K59-D63 PolarHBondContact NZ-OD2 3.16Å; K59-D63 WeakPolarHBondContact O-CB 3.45Å; K59-D63 VanDerWaalsContact O-CG 3.28Å; K59-D63 PolarHBondContact O-N 3.24Å; K59-W70 WeakPolarHBondContact CD-O 3.48Å; K59-W70 WeakPolarHBondContact CE-O 3.22Å; K59-W70 HydrophobicContact CG-CB 4.22Å; K59-W70 VanDerWaalsContact CG-O 3.29Å; K59-W70 WeakPolarHBondContact CG-O 3.29Å; K59-W70 PolarHBondContact NZ-O 2.86Å; K59-C72 HydrophobicContact CB-CB 4.18Å
60R97.6Very high96.8Very high119 Ų11966.3 Ų66.345%0.44934%0.335SS..Hα-helixtrans-64.4-39.1-178.8-173.2175.170.7-124.53.6111.8A56 E57 I58 N64A56-R60 WeakPolarHBondContact O-CB 3.48Å; A56-R60 PolarHBondContact O-N 2.68Å; E57-R60 PolarHBondContact O-N 3.27Å; E57-R60 IonicContact OE1-CZ 2.63Å; E57-R60 IonicContact OE1-NH1 2.73Å; E57-R60 PolarHBondContact OE1-NH1 3.17Å; E57-R60 IonicContact OE1-NH2 3.14Å; E57-R60 PolarHBondContact OE1-NH2 2.91Å; E57-R60 IonicContact OE2-CZ 4Å; E57-R60 IonicContact OE2-NH1 2.62Å; E57-R60 IonicContact OE2-NH2 3.64Å; E57-R60 PolarHBondContact OE2-NH2 3.47Å; I58-R60 VanDerWaalsContact C-N 3.31Å; I58-R60 PolarHBondContact O-N 2.99Å; R60-N64 WeakPolarHBondContact O-CB 3.45Å; R60-N64 PolarHBondContact O-N 3.06Å; R60-N64 PolarHBondContact O-ND2 3.32Å
61G97.7Very high96.9Very high9 Ų966.4 Ų66.49%0.09333%0.329CS..Hα-helixtrans-57.4-51.5172.800000111.1E57 I58 K59 N64 F65E57-G61 PolarHBondContact O-N 3.35Å; I58-G61 PolarHBondContact O-N 3.28Å; K59-G61 VanDerWaalsContact C-N 3.34Å; K59-G61 PolarHBondContact O-N 2.97Å; G61-N64 WeakPolarHBondContact O-CB 3.45Å; G61-N64 PolarHBondContact O-N 3.45Å; G61-N64 VanDerWaalsContact O-N 3.15Å; G61-F65 VanDerWaalsContact O-CD2 3.28Å; G61-F65 WeakPolarHBondContact O-CD2 3.45Å; G61-F65 PolarHBondContact O-N 3.42Å
62F98.3Very high97Very high0 Ų063.9 Ų63.90%032%0.32CS..Hα-helixtrans-67.2-39.9-179.3-88.9-105000114M29 G33 L36 A37 L40 I58 K59 N64 F65 Y66 W70 L101M29-F62 HydrophobicContact CE-CD1 4.35Å; M29-F62 HydrophobicContact CE-CE1 3.66Å; M29-F62 HydrophobicContact CE-CZ 4.37Å; M29-F62 HydrophobicContact SD-CE1 3.85Å; M29-F62 HydrophobicContact SD-CZ 4.19Å; G33-F62 WeakPolarHBondContact O-CZ 3.27Å; L36-F62 HydrophobicContact CB-CE2 4.4Å; L36-F62 HydrophobicContact CB-CZ 4.39Å; L36-F62 HydrophobicContact CD2-CD2 4.45Å; L36-F62 HydrophobicContact CD2-CE2 4.07Å; L36-F62 HydrophobicContact CD2-CZ 4.27Å; L36-F62 HydrophobicContact CG-CE2 3.98Å; L36-F62 HydrophobicContact CG-CZ 4.36Å; A37-F62 HydrophobicContact CB-CE2 3.84Å; A37-F62 HydrophobicContact CB-CZ 3.76Å; L40-F62 HydrophobicContact CD1-CD2 3.96Å; L40-F62 HydrophobicContact CD1-CE2 4.06Å; I58-F62 HydrophobicContact CG2-CD2 4.23Å; I58-F62 HydrophobicContact CG2-CE2 4.47Å; I58-F62 WeakPolarHBondContact O-CD2 3.46Å; I58-F62 PolarHBondContact O-N 3.09Å; K59-F62 PolarHBondContact O-N 2.74Å; F62-N64 PolarHBondContact O-N 2.95Å; F62-F65 PolarHBondContact O-N 2.92Å; F62-Y66 AromaticContact CD1-CD2 3.5Å; F62-Y66 HydrophobicContact CD1-CD2 3.5Å; F62-Y66 AromaticContact CD1-CE2 3.8Å; F62-Y66 HydrophobicContact CD1-CE2 3.8Å; F62-Y66 AromaticContact CE1-CD2 3.8Å; F62-Y66 HydrophobicContact CE1-CD2 3.8Å; F62-Y66 AromaticContact CE1-CE2 3.57Å; F62-Y66 HydrophobicContact CE1-CE2 3.57Å; F62-Y66 HydrophobicContact CG-CD2 4.22Å; F62-Y66 HydrophobicContact CZ-CE2 4.2Å; F62-Y66 PolarHBondContact O-N 2.94Å; F62-W70 VanDerWaalsContact C-CD1 3.48Å; F62-W70 HydrophobicContact CB-CB 4.18Å; F62-W70 HydrophobicContact CB-CD2 3.7Å; F62-W70 HydrophobicContact CB-CE3 4.32Å; F62-W70 HydrophobicContact CB-CG 3.6Å; F62-W70 AromaticContact CD1-CD2 3.85Å; F62-W70 HydrophobicContact CD1-CD2 3.85Å; F62-W70 AromaticContact CD1-CE2 3.73Å; F62-W70 AromaticContact CD1-CE3 3.88Å; F62-W70 HydrophobicContact CD1-CE3 3.88Å; F62-W70 AromaticContact CD1-CH2 3.71Å; F62-W70 HydrophobicContact CD1-CH2 3.71Å; F62-W70 AromaticContact CD1-CZ2 3.67Å; F62-W70 HydrophobicContact CD1-CZ2 3.67Å; F62-W70 AromaticContact CD1-CZ3 3.82Å; F62-W70 HydrophobicContact CD1-CZ3 3.82Å; F62-W70 HydrophobicContact CE1-CH2 4.12Å; F62-W70 HydrophobicContact CE1-CZ2 4.4Å; F62-W70 HydrophobicContact CE1-CZ3 4.28Å; F62-W70 HydrophobicContact CG-CD2 4.18Å; F62-W70 HydrophobicContact CG-CE3 4.39Å; F62-W70 PolarHBondContact O-NE1 3.46Å; F62-L101 HydrophobicContact CD1-CD2 3.76Å; F62-L101 HydrophobicContact CD2-CD2 3.59Å; F62-L101 HydrophobicContact CE1-CD2 3.65Å; F62-L101 HydrophobicContact CE2-CD2 3.49Å; F62-L101 VanDerWaalsContact CE2-CD2 3.49Å; F62-L101 HydrophobicContact CG-CD1 4.4Å; F62-L101 HydrophobicContact CG-CD2 3.73Å; F62-L101 HydrophobicContact CZ-CD2 3.52Å
63D97.8Very high97.1Very high44 Ų4457.1 Ų57.124%0.23530%0.299CS..Hα-helixtrans-57.7-37.5172-73.1-19.3000111.1K59 G67 W70K59-D63 IonicContact NZ-OD1 3.7Å; K59-D63 PolarHBondContact NZ-OD1 2.99Å; K59-D63 IonicContact NZ-OD2 3.28Å; K59-D63 PolarHBondContact NZ-OD2 3.16Å; K59-D63 WeakPolarHBondContact O-CB 3.45Å; K59-D63 VanDerWaalsContact O-CG 3.28Å; K59-D63 PolarHBondContact O-N 3.24Å; D63-G67 WeakPolarHBondContact O-CA 3.41Å; D63-G67 PolarHBondContact O-N 2.9Å; D63-G67 VanDerWaalsContact O-N 3.14Å; D63-W70 WeakPolarHBondContact OD1-CB 3.42Å; D63-W70 PolarHBondContact OD1-N 3.35Å
64N96.7Very high97.1Very high125 Ų12554.1 Ų54.167%0.66828%0.283SS*.Hα-helixtrans-76.4-42.4179.9-71-20.7000113.1R60 G61 F62R60-N64 WeakPolarHBondContact O-CB 3.45Å; R60-N64 PolarHBondContact O-N 3.06Å; R60-N64 PolarHBondContact O-ND2 3.32Å; G61-N64 WeakPolarHBondContact O-CB 3.45Å; G61-N64 PolarHBondContact O-N 3.45Å; G61-N64 VanDerWaalsContact O-N 3.15Å; F62-N64 PolarHBondContact O-N 2.95Å
65F96.2Very high97.1Very high148 Ų14854.5 Ų54.565%0.64929%0.287SS*.Hα-helixtrans-79.9-44.8-176-84.2-79.7000112.8L36 G61 F62L36-F65 HydrophobicContact CD1-CD2 4.27Å; L36-F65 HydrophobicContact CD1-CE2 4.11Å; L36-F65 HydrophobicContact CD2-CB 4.02Å; L36-F65 HydrophobicContact CD2-CD2 3.81Å; L36-F65 HydrophobicContact CD2-CE2 4.44Å; L36-F65 HydrophobicContact CD2-CG 3.9Å; G61-F65 VanDerWaalsContact O-CD2 3.28Å; G61-F65 WeakPolarHBondContact O-CD2 3.45Å; G61-F65 PolarHBondContact O-N 3.42Å; F62-F65 PolarHBondContact O-N 2.92Å
66Y96Very high96.9Very high90 Ų9060.7 Ų60.735%0.35331%0.308SS..Hα-helixtrans-107.6-3.1-173.9-64.2-72.9000113.7G33 L36 F62 W70 R103G33-Y66 VanDerWaalsContact CA-OH 3.29Å; G33-Y66 WeakPolarHBondContact CA-OH 3.47Å; L36-Y66 HydrophobicContact CD2-CE2 3.81Å; F62-Y66 AromaticContact CD1-CD2 3.5Å; F62-Y66 HydrophobicContact CD1-CD2 3.5Å; F62-Y66 AromaticContact CD1-CE2 3.8Å; F62-Y66 HydrophobicContact CD1-CE2 3.8Å; F62-Y66 AromaticContact CE1-CD2 3.8Å; F62-Y66 HydrophobicContact CE1-CD2 3.8Å; F62-Y66 AromaticContact CE1-CE2 3.57Å; F62-Y66 HydrophobicContact CE1-CE2 3.57Å; F62-Y66 HydrophobicContact CG-CD2 4.22Å; F62-Y66 HydrophobicContact CZ-CE2 4.2Å; F62-Y66 PolarHBondContact O-N 2.94Å; Y66-W70 HydrophobicContact CD2-CZ2 4.25Å; Y66-W70 HydrophobicContact CG-CZ2 4.27Å; Y66-R103 PolarHBondContact O-NH1 2.77Å; Y66-R103 VanDerWaalsContact O-NH1 3.1Å
67G94.4Very high96.7Very high30 Ų3067.4 Ų67.431%0.30933%0.331SS..  trans66.2-172.6-173.500000113.1D63 W70 R103D63-G67 WeakPolarHBondContact O-CA 3.41Å; D63-G67 PolarHBondContact O-N 2.9Å; D63-G67 VanDerWaalsContact O-N 3.14Å; G67-W70 VanDerWaalsContact O-CD1 3.27Å; G67-W70 PolarHBondContact O-NE1 2.89Å; G67-R103 PolarHBondContact O-NH1 3.01Å
68G90.8Very high96.6Very high52 Ų5267.7 Ų67.754%0.53633%0.332SS..SBendtrans80.6-157.917600000113.8
69K94Very high96.4Very high167 Ų16773.6 Ų73.673%0.72637%0.373SS*.  trans-127.272.7-175.9-65.5-177.5-178.1176.20110.7Q71K69-Q71 PolarHBondContact O-NE2 2.94Å
70W98.1Very high96.2Very high5 Ų573.9 Ų73.92%0.01938%0.382CS..  trans-61.1151.8177.5-68.784.6000111.4M29 K59 F62 D63 Y66 G67 C88 L101 W102 R103M29-W70 HydrophobicContact CE-CE3 4.46Å; M29-W70 HydrophobicContact CE-CH2 3.51Å; M29-W70 HydrophobicContact CE-CZ3 3.31Å; K59-W70 WeakPolarHBondContact CD-O 3.48Å; K59-W70 WeakPolarHBondContact CE-O 3.22Å; K59-W70 HydrophobicContact CG-CB 4.22Å; K59-W70 VanDerWaalsContact CG-O 3.29Å; K59-W70 WeakPolarHBondContact CG-O 3.29Å; K59-W70 PolarHBondContact NZ-O 2.86Å; F62-W70 VanDerWaalsContact C-CD1 3.48Å; F62-W70 HydrophobicContact CB-CB 4.18Å; F62-W70 HydrophobicContact CB-CD2 3.7Å; F62-W70 HydrophobicContact CB-CE3 4.32Å; F62-W70 HydrophobicContact CB-CG 3.6Å; F62-W70 AromaticContact CD1-CD2 3.85Å; F62-W70 HydrophobicContact CD1-CD2 3.85Å; F62-W70 AromaticContact CD1-CE2 3.73Å; F62-W70 AromaticContact CD1-CE3 3.88Å; F62-W70 HydrophobicContact CD1-CE3 3.88Å; F62-W70 AromaticContact CD1-CH2 3.71Å; F62-W70 HydrophobicContact CD1-CH2 3.71Å; F62-W70 AromaticContact CD1-CZ2 3.67Å; F62-W70 HydrophobicContact CD1-CZ2 3.67Å; F62-W70 AromaticContact CD1-CZ3 3.82Å; F62-W70 HydrophobicContact CD1-CZ3 3.82Å; F62-W70 HydrophobicContact CE1-CH2 4.12Å; F62-W70 HydrophobicContact CE1-CZ2 4.4Å; F62-W70 HydrophobicContact CE1-CZ3 4.28Å; F62-W70 HydrophobicContact CG-CD2 4.18Å; F62-W70 HydrophobicContact CG-CE3 4.39Å; F62-W70 PolarHBondContact O-NE1 3.46Å; D63-W70 WeakPolarHBondContact OD1-CB 3.42Å; D63-W70 PolarHBondContact OD1-N 3.35Å; Y66-W70 HydrophobicContact CD2-CZ2 4.25Å; Y66-W70 HydrophobicContact CG-CZ2 4.27Å; G67-W70 VanDerWaalsContact O-CD1 3.27Å; G67-W70 PolarHBondContact O-NE1 2.89Å; W70-C88 HydrophobicContact CH2-CB 3.67Å; W70-C88 HydrophobicContact CZ2-CB 4.34Å; W70-C88 HydrophobicContact CZ3-CB 4.09Å; W70-C88 WeakPolarHBondContact CZ3-O 3.43Å; W70-L101 HydrophobicContact CB-CD1 4.27Å; W70-L101 HydrophobicContact CD2-CD1 4.48Å; W70-L101 HydrophobicContact CE3-CD1 3.79Å; W70-L101 HydrophobicContact CE3-CD2 4.45Å; W70-L101 HydrophobicContact CE3-CG 3.84Å; W70-L101 HydrophobicContact CZ3-CG 4.15Å; W70-W102 CarbonylContact C-O 3.51Å; W70-W102 WeakPolarHBondContact CA-O 3.28Å; W70-W102 VanDerWaalsContact CE3-C 3.49Å; W70-R103 HydrophobicContact CD2-CB 3.94Å; W70-R103 HydrophobicContact CE3-CB 3.99Å; W70-R103 HydrophobicContact CG-CB 4.41Å; W70-R103 HydrophobicContact CZ2-CB 4.47Å; W70-R103 HydrophobicContact CZ3-CB 4.26Å
71Q98.1Very high96Very high83 Ų8377.6 Ų77.639%0.38840%0.404SS..EExtended strand (participates in β ladder)trans-122142.1173.4-53.5-54-44.600108.2K69 L101 W102K69-Q71 PolarHBondContact O-NE2 2.94Å; Q71-L101 WeakPolarHBondContact O-CA 3.4Å; Q71-L101 WeakPolarHBondContact O-CD1 3.49Å; Q71-W102 HydrophobicContact CB-CD2 3.83Å; Q71-W102 VanDerWaalsContact CB-CE2 3.49Å; Q71-W102 HydrophobicContact CB-CE3 4.1Å; Q71-W102 HydrophobicContact CB-CG 4.49Å; Q71-W102 HydrophobicContact CB-CH2 3.81Å; Q71-W102 HydrophobicContact CB-CZ2 3.5Å; Q71-W102 VanDerWaalsContact CB-CZ2 3.5Å; Q71-W102 HydrophobicContact CB-CZ3 4.1Å; Q71-W102 HydrophobicContact CG-CZ2 4.16Å; Q71-W102 PolarHBondContact N-O 2.85Å; Q71-W102 PolarHBondContact O-N 3.12Å
72C98.4Very high95.7Very high21 Ų2180 Ų8014%0.14241%0.412CS..EExtended strand (participates in β ladder)trans-140135.3178.7-172.40000110.5A55 K59 L100 L101A55-C72 HydrophobicContact CB-CB 4.24Å; K59-C72 HydrophobicContact CB-CB 4.18Å; C72-L100 CarbonylContact C-O 3.54Å; C72-L100 VanDerWaalsContact CA-O 3.25Å; C72-L100 WeakPolarHBondContact CA-O 3.19Å; C72-L100 PolarHBondContact SG-O 3.46Å; C72-L101 HydrophobicContact CB-CD1 4.01Å
73I98Very high95.5Very high68 Ų6887.4 Ų87.435%0.34945%0.452SS..EExtended strand (participates in β ladder)trans-119.1133.8170.3-66.1172.9000107.6F78 I99 L100 W102I73-F78 HydrophobicContact CG2-CD1 3.91Å; I73-F78 HydrophobicContact CG2-CD2 4.32Å; I73-F78 HydrophobicContact CG2-CE1 3.93Å; I73-F78 HydrophobicContact CG2-CE2 4.38Å; I73-F78 HydrophobicContact CG2-CG 4.1Å; I73-F78 HydrophobicContact CG2-CZ 4.17Å; I73-I99 WeakPolarHBondContact O-CA 2.9Å; I73-L100 HydrophobicContact CB-CB 4.34Å; I73-L100 HydrophobicContact CD1-CD2 4.42Å; I73-L100 PolarHBondContact N-O 3.17Å; I73-L100 PolarHBondContact O-N 2.96Å; I73-W102 HydrophobicContact CB-CZ3 4.36Å; I73-W102 HydrophobicContact CD1-CH2 3.55Å; I73-W102 HydrophobicContact CD1-CZ3 4.01Å; I73-W102 HydrophobicContact CG1-CH2 3.72Å; I73-W102 HydrophobicContact CG1-CZ3 3.89Å
74V98.2Very high95.4Very high16 Ų1688 Ų8810%0.09745%0.454CS..EExtended strand (participates in β ladder)trans-126.8130.8171.51790000107.1E51 V54 A55 I58 Y97 A98 I99E51-V74 HydrophobicContact CB-CB 4.38Å; E51-V74 HydrophobicContact CB-CG1 4.16Å; E51-V74 HydrophobicContact CG-CG1 4.28Å; V54-V74 HydrophobicContact CB-CG1 4.45Å; V54-V74 HydrophobicContact CB-CG2 4.31Å; V54-V74 HydrophobicContact CG1-CG1 4.33Å; V54-V74 HydrophobicContact CG1-CG2 3.99Å; A55-V74 HydrophobicContact CB-CB 4.27Å; A55-V74 HydrophobicContact CB-CG2 3.73Å; I58-V74 HydrophobicContact CD1-CG2 4.39Å; V74-Y97 HydrophobicContact CG1-CD1 4.19Å; V74-A98 WeakPolarHBondContact CA-O 3.45Å; V74-I99 HydrophobicContact CG1-CG1 4.31Å; V74-I99 HydrophobicContact CG2-CG1 4.19Å; V74-I99 HydrophobicContact CG2-CG2 4.09Å
75G97.2Very high95.4Very high8 Ų886.3 Ų86.38%0.08244%0.441CS..EExtended strand (participates in β ladder)trans-171.9169.317800000112.1A98G75-A98 PolarHBondContact N-O 3.44Å; G75-A98 WeakPolarHBondContact O-CB 3.36Å; G75-A98 PolarHBondContact O-N 2.95Å
76R95.1Very high95.4Very high144 Ų14484 Ų8454%0.54344%0.441SS..SBendtrans-82.9-33.6175.2-59.3-178.4-169.8176.64.1112.4
77E93Very high95.4Very high184 Ų18485.2 Ų85.286%0.8645%0.454SS*.SBendtrans-143.4121.9-178.6-66.2177.8-167.400108.1
78F96.7Very high95.5Very high52 Ų5284.5 Ų84.523%0.22844%0.444CS..  trans-155.9166.9167.360-95.6000109.4I73 Y91 A98 L100I73-F78 HydrophobicContact CG2-CD1 3.91Å; I73-F78 HydrophobicContact CG2-CD2 4.32Å; I73-F78 HydrophobicContact CG2-CE1 3.93Å; I73-F78 HydrophobicContact CG2-CE2 4.38Å; I73-F78 HydrophobicContact CG2-CG 4.1Å; I73-F78 HydrophobicContact CG2-CZ 4.17Å; F78-Y91 AromaticContact CE2-CE2 3.99Å; F78-Y91 HydrophobicContact CE2-CE2 3.99Å; F78-Y91 HydrophobicContact CZ-CD2 4.38Å; F78-Y91 AromaticContact CZ-CE2 3.71Å; F78-Y91 HydrophobicContact CZ-CE2 3.71Å; F78-A98 HydrophobicContact CD1-CB 4.27Å; F78-A98 HydrophobicContact CE1-CB 3.43Å; F78-A98 VanDerWaalsContact CE1-CB 3.43Å; F78-A98 WeakPolarHBondContact CE1-O 3.44Å; F78-A98 HydrophobicContact CZ-CB 3.82Å; F78-L100 HydrophobicContact CE2-CB 3.85Å; F78-L100 HydrophobicContact CE2-CD2 4.05Å; F78-L100 HydrophobicContact CZ-CB 3.75Å
79S94.1Very high95.8Very high124 Ų12483 Ų8387%0.86742%0.423SS*.  trans-132.9145.8168.5-58.40000108
80S93.4Very high96Very high62 Ų6275 Ų7543%0.43439%0.388SS..  trans-137.4144.2-173.156.60000110.9
81H93.7Very high96Very high197 Ų19777.2 Ų77.291%0.91240%0.397SS*.  trans-141.5117.9168.8-169.279.9000107.1
82F91.3Very high96Very high59 Ų5973.3 Ų73.326%0.25938%0.378SS..  trans-158.4163.3-172.361.8-84.3000110.1H84 F89 L100 W102F82-H84 HydrophobicContact CD2-CB 4.19Å; F82-H84 HydrophobicContact CE2-CB 4Å; F82-H84 AromaticContact CE2-ND1 3.49Å; F82-H84 WeakPolarHBondContact CE2-ND1 3.44Å; F82-F89 HydrophobicContact CE2-CD2 4Å; F82-F89 HydrophobicContact CE2-CE2 4.29Å; F82-F89 AromaticContact CZ-CD2 3.73Å; F82-F89 HydrophobicContact CZ-CD2 3.73Å; F82-F89 AromaticContact CZ-CE2 3.57Å; F82-F89 HydrophobicContact CZ-CE2 3.57Å; F82-L100 HydrophobicContact CD1-CD2 4.35Å; F82-L100 HydrophobicContact CE1-CD1 3.95Å; F82-L100 HydrophobicContact CE1-CD2 3.71Å; F82-L100 HydrophobicContact CE1-CG 4.33Å; F82-L100 HydrophobicContact CZ-CD1 3.85Å; F82-L100 HydrophobicContact CZ-CD2 4.28Å; F82-L100 HydrophobicContact CZ-CG 4.44Å; F82-W102 HydrophobicContact CD2-CB 4.48Å; F82-W102 AromaticContact CD2-CD1 3.69Å; F82-W102 HydrophobicContact CD2-CD2 4.32Å; F82-W102 AromaticContact CD2-CG 3.94Å; F82-W102 HydrophobicContact CD2-CG 3.94Å; F82-W102 AromaticContact CD2-NE1 3.9Å; F82-W102 HydrophobicContact CE2-CB 3.87Å; F82-W102 AromaticContact CE2-CD1 3.95Å; F82-W102 HydrophobicContact CE2-CD2 4.23Å; F82-W102 AromaticContact CE2-CG 3.75Å; F82-W102 HydrophobicContact CE2-CG 3.75Å; F82-W102 HydrophobicContact CZ-CG 4.46Å
83D95Very high96Very high157 Ų15775.2 Ų75.284%0.8438%0.384SS*.  trans-102.3151.7164.6-61.9-60.1000109.2
84H95.9Very high95.8Very high57 Ų5772 Ų7226%0.26437%0.368SS..  trans-141.3159177.958.1-86.5000111.6E28 F82 F89 W102 R103E28-H84 IonicContact OE1-CD2 2.95Å; E28-H84 IonicContact OE1-CE1 3.3Å; E28-H84 IonicContact OE1-NE2 3.32Å; E28-H84 PolarHBondContact OE1-NE2 3.47Å; E28-H84 IonicContact OE2-CD2 3.76Å; E28-H84 IonicContact OE2-NE2 2.77Å; E28-H84 PolarHBondContact OE2-NE2 3.44Å; F82-H84 HydrophobicContact CD2-CB 4.19Å; F82-H84 HydrophobicContact CE2-CB 4Å; F82-H84 AromaticContact CE2-ND1 3.49Å; F82-H84 WeakPolarHBondContact CE2-ND1 3.44Å; H84-F89 WeakPolarHBondContact CD2-CB 3.43Å; H84-F89 AromaticContact CE1-CG 3.94Å; H84-F89 WeakPolarHBondContact NE2-CB 3.25Å; H84-F89 AromaticContact NE2-CG 3.87Å; H84-W102 HydrophobicContact CB-CB 4.12Å; H84-R103 CarbonylContact C-O 3.54Å; H84-R103 VanDerWaalsContact CA-O 3.31Å; H84-R103 WeakPolarHBondContact CA-O 3.31Å; H84-R103 WeakPolarHBondContact CB-O 3.22Å
85E96.5Very high95.5Very high88 Ų8873.1 Ų73.141%0.41138%0.382SS..  trans-65.1141.3171.1-67.8178.7-172.400110.7N87 C88 R103E85-N87 PolarHBondContact O-N 3.07Å; E85-C88 HydrophobicContact CB-CB 4.07Å; E85-C88 WeakPolarHBondContact O-CB 3.49Å; E85-C88 PolarHBondContact O-N 3.14Å; E85-C88 VanDerWaalsContact O-N 3.13Å; E85-R103 PolarHBondContact N-O 3.13Å; E85-R103 IonicContact OE1-NE 3.61Å; E85-R103 IonicContact OE2-CZ 2.68Å; E85-R103 VanDerWaalsContact OE2-CZ 3.3Å; E85-R103 IonicContact OE2-NE 2.85Å; E85-R103 PolarHBondContact OE2-NE 3.01Å; E85-R103 IonicContact OE2-NH2 2.74Å; E85-R103 PolarHBondContact OE2-NH2 2.76Å
86P95.4Very high95.3Very high100 Ų10078.1 Ų78.165%0.64940%0.402SS*.THydrogen-bonded Turntrans-54139.4179-26.134000113.4C88P86-C88 PolarHBondContact O-N 3.32Å; P86-C88 VanDerWaalsContact O-N 3.17Å; P86-C88 PolarHBondContact O-SG 2.81Å
87N95.7Very high95.4Very high115 Ų11573.2 Ų73.262%0.61538%0.384SS*.THydrogen-bonded Turntrans65.46.2-179.8-44.9-60000114.9E28 E85E28-N87 WeakPolarHBondContact O-CA 3.49Å; E28-N87 PolarHBondContact OE2-N 3.15Å; E85-N87 PolarHBondContact O-N 3.07Å
88C97.4Very high95.6Very high15 Ų1564.6 Ų64.610%0.10134%0.344CS..  trans-11040.3-176.2-59.60000111.8W70 E85 P86 W102 R103W70-C88 HydrophobicContact CH2-CB 3.67Å; W70-C88 HydrophobicContact CZ2-CB 4.34Å; W70-C88 HydrophobicContact CZ3-CB 4.09Å; W70-C88 WeakPolarHBondContact CZ3-O 3.43Å; E85-C88 HydrophobicContact CB-CB 4.07Å; E85-C88 WeakPolarHBondContact O-CB 3.49Å; E85-C88 PolarHBondContact O-N 3.14Å; E85-C88 VanDerWaalsContact O-N 3.13Å; P86-C88 PolarHBondContact O-N 3.32Å; P86-C88 VanDerWaalsContact O-N 3.17Å; P86-C88 PolarHBondContact O-SG 2.81Å; C88-W102 CarbonylContact O-C 3.51Å; C88-W102 WeakPolarHBondContact O-CA 3.35Å; C88-R103 HydrophobicContact CB-CB 4Å; C88-R103 PolarHBondContact O-N 3.1Å; C88-R103 VanDerWaalsContact O-N 3.12Å
89F97.7Very high95.7Very high20 Ų2062.1 Ų62.19%0.08833%0.333CS..EExtended strand (participates in β ladder)trans-141.2135-174.7163.9-108.8000113.1L26 S27 E28 F82 H84 L100 W102L26-F89 HydrophobicContact CB-CE1 3.69Å; L26-F89 HydrophobicContact CB-CZ 3.92Å; L26-F89 HydrophobicContact CD1-CZ 4.37Å; S27-F89 WeakPolarHBondContact CA-O 3.07Å; S27-F89 PolarHBondContact OG-O 2.82Å; E28-F89 HydrophobicContact CG-CD1 4.22Å; E28-F89 PolarHBondContact N-O 2.85Å; F82-F89 HydrophobicContact CE2-CD2 4Å; F82-F89 HydrophobicContact CE2-CE2 4.29Å; F82-F89 AromaticContact CZ-CD2 3.73Å; F82-F89 HydrophobicContact CZ-CD2 3.73Å; F82-F89 AromaticContact CZ-CE2 3.57Å; F82-F89 HydrophobicContact CZ-CE2 3.57Å; H84-F89 WeakPolarHBondContact CD2-CB 3.43Å; H84-F89 AromaticContact CE1-CG 3.94Å; H84-F89 WeakPolarHBondContact NE2-CB 3.25Å; H84-F89 AromaticContact NE2-CG 3.87Å; F89-L100 HydrophobicContact CD2-CD1 4.29Å; F89-L100 HydrophobicContact CE2-CD1 3.54Å; F89-L100 HydrophobicContact CZ-CD1 4.48Å; F89-W102 HydrophobicContact CD2-CB 4.34Å
90I98.5Very high95.9Very high0 Ų056.3 Ų56.30%029%0.292CS..EExtended strand (participates in β ladder)trans-147.2138.4168.8-169.5179.9000111.1V24 L26 M29 Q34 A37 Y92 L101V24-I90 HydrophobicContact CG1-CD1 4.41Å; V24-I90 HydrophobicContact CG1-CG1 4.24Å; V24-I90 HydrophobicContact CG2-CD1 4.43Å; L26-I90 WeakPolarHBondContact O-CA 3.5Å; M29-I90 HydrophobicContact CE-CB 4.19Å; M29-I90 HydrophobicContact CE-CG2 3.73Å; M29-I90 HydrophobicContact SD-CB 3.89Å; M29-I90 HydrophobicContact SD-CG2 3.73Å; Q34-I90 HydrophobicContact CB-CD1 4.09Å; Q34-I90 HydrophobicContact CG-CD1 3.82Å; A37-I90 HydrophobicContact CB-CD1 4.2Å; A37-I90 HydrophobicContact CB-CG2 4.23Å; I90-Y92 HydrophobicContact CD1-CD1 3.79Å; I90-Y92 HydrophobicContact CD1-CE1 4.24Å; I90-Y92 HydrophobicContact CD1-CG 4.34Å; I90-Y92 HydrophobicContact CG1-CD1 3.78Å; I90-Y92 HydrophobicContact CG1-CE1 4.46Å; I90-Y92 HydrophobicContact CG2-CD1 4.16Å; I90-Y92 HydrophobicContact CG2-CE1 4.08Å; I90-L101 HydrophobicContact CG2-CB 3.78Å; I90-L101 HydrophobicContact CG2-CD2 3.97Å; I90-L101 HydrophobicContact CG2-CG 4.28Å; I90-L101 PolarHBondContact N-O 2.89Å; I90-L101 PolarHBondContact O-N 3.28Å
91Y98.1Very high96.1Very high52 Ų5253.3 Ų53.320%0.20427%0.271CS..EExtended strand (participates in β ladder)trans-128.7119.9170.7178.2-123.4000109.6E25 L26 F78 F93 A98 I99 L100E25-Y91 HydrophobicContact CB-CD1 3.83Å; E25-Y91 HydrophobicContact CB-CE1 4.21Å; E25-Y91 HydrophobicContact CG-CD1 4.48Å; E25-Y91 HydrophobicContact CG-CE1 4.42Å; E25-Y91 PolarHBondContact N-O 3.29Å; L26-Y91 PolarHBondContact N-O 2.88Å; L26-Y91 VanDerWaalsContact N-O 3.07Å; L26-Y91 PolarHBondContact O-N 3.46Å; F78-Y91 AromaticContact CE2-CE2 3.99Å; F78-Y91 HydrophobicContact CE2-CE2 3.99Å; F78-Y91 HydrophobicContact CZ-CD2 4.38Å; F78-Y91 AromaticContact CZ-CE2 3.71Å; F78-Y91 HydrophobicContact CZ-CE2 3.71Å; Y91-F93 AromaticContact CE1-CE2 3.71Å; Y91-F93 HydrophobicContact CE1-CE2 3.71Å; Y91-F93 HydrophobicContact CE1-CZ 4.27Å; Y91-F93 HydrophobicContact CE2-CE2 4.29Å; Y91-F93 AromaticContact CZ-CE2 3.54Å; Y91-F93 AromaticContact CZ-CZ 3.75Å; Y91-F93 WeakPolarHBondContact OH-CE2 3.41Å; Y91-F93 WeakPolarHBondContact OH-CZ 3.45Å; Y91-A98 HydrophobicContact CE2-CB 4.04Å; Y91-I99 WeakPolarHBondContact CA-O 3.41Å; Y91-I99 WeakPolarHBondContact CD2-O 3.29Å; Y91-L100 HydrophobicContact CD2-CB 4.13Å; Y91-L100 HydrophobicContact CD2-CD1 3.99Å; Y91-L100 HydrophobicContact CG-CD1 4.31Å
92Y97.9Very high96.3Very high0 Ų045.7 Ų45.70%024%0.235CC..EExtended strand (participates in β ladder)trans-150.1165.7-172.466.9-76.7000111.5T23 A37 I38 A41 I90 I94 I99T23-Y92 CarbonylContact O-C 3.55Å; T23-Y92 VanDerWaalsContact O-CA 3.27Å; T23-Y92 WeakPolarHBondContact O-CA 3.48Å; T23-Y92 WeakPolarHBondContact O-CB 3.4Å; A37-Y92 HydrophobicContact CB-CE1 4.04Å; A37-Y92 PolarHBondContact O-OH 3Å; I38-Y92 HydrophobicContact CG1-CD2 4.17Å; I38-Y92 HydrophobicContact CG1-CE2 4.15Å; A41-Y92 HydrophobicContact CB-CE2 4.15Å; A41-Y92 WeakPolarHBondContact CB-OH 3.39Å; I90-Y92 HydrophobicContact CD1-CD1 3.79Å; I90-Y92 HydrophobicContact CD1-CE1 4.24Å; I90-Y92 HydrophobicContact CD1-CG 4.34Å; I90-Y92 HydrophobicContact CG1-CD1 3.78Å; I90-Y92 HydrophobicContact CG1-CE1 4.46Å; I90-Y92 HydrophobicContact CG2-CD1 4.16Å; I90-Y92 HydrophobicContact CG2-CE1 4.08Å; Y92-I94 HydrophobicContact CD2-CD1 4.35Å; Y92-I94 HydrophobicContact CD2-CG1 4.14Å; Y92-I94 HydrophobicContact CE2-CD1 3.82Å; Y92-I94 HydrophobicContact CE2-CG1 4.09Å; Y92-I99 HydrophobicContact CD1-CB 4.13Å; Y92-I99 HydrophobicContact CD1-CG2 4.35Å; Y92-I99 HydrophobicContact CD2-CB 4.41Å; Y92-I99 HydrophobicContact CD2-CD1 4.4Å; Y92-I99 HydrophobicContact CE1-CB 3.74Å; Y92-I99 HydrophobicContact CE1-CG2 3.53Å; Y92-I99 HydrophobicContact CE2-CB 4.03Å; Y92-I99 HydrophobicContact CE2-CD1 3.62Å; Y92-I99 HydrophobicContact CE2-CG1 4.34Å; Y92-I99 HydrophobicContact CE2-CG2 4.34Å; Y92-I99 HydrophobicContact CG-CB 4.46Å; Y92-I99 PolarHBondContact N-O 2.76Å; Y92-I99 PolarHBondContact O-N 2.76Å; Y92-I99 WeakPolarHBondContact OH-CG2 3.11Å
93F96.9Very high96.5Very high61 Ų6146.2 Ų46.227%0.26824%0.235SC..EExtended strand (participates in β ladder)trans-119.4141.7-179.9-73.2-99.9000110.8P22 T23 E25 Y91 Y97 A98P22-F93 CarbonylContact C-O 3.55Å; P22-F93 VanDerWaalsContact CA-O 3.27Å; P22-F93 WeakPolarHBondContact CA-O 3.28Å; T23-F93 PolarHBondContact N-O 3.3Å; T23-F93 PolarHBondContact O-N 3.36Å; E25-F93 HydrophobicContact CG-CD2 3.63Å; E25-F93 HydrophobicContact CG-CE2 3.64Å; Y91-F93 AromaticContact CE1-CE2 3.71Å; Y91-F93 HydrophobicContact CE1-CE2 3.71Å; Y91-F93 HydrophobicContact CE1-CZ 4.27Å; Y91-F93 HydrophobicContact CE2-CE2 4.29Å; Y91-F93 AromaticContact CZ-CE2 3.54Å; Y91-F93 AromaticContact CZ-CZ 3.75Å; Y91-F93 WeakPolarHBondContact OH-CE2 3.41Å; Y91-F93 WeakPolarHBondContact OH-CZ 3.45Å; F93-Y97 VanDerWaalsContact CA-O 3.29Å; F93-Y97 WeakPolarHBondContact CA-O 3.38Å; F93-A98 HydrophobicContact CD1-CB 3.96Å; F93-A98 HydrophobicContact CE1-CB 3.51Å; F93-A98 HydrophobicContact CZ-CB 3.85Å
94I95.4Very high96.6Very high1 Ų140.7 Ų40.71%0.00521%0.205CC..EExtended strand (participates in β ladder)trans-129.2107.4164.2-63.9176.9000107.5Y20 P22 A41 I42 L45 Y92 K96 Y97 I99Y20-I94 HydrophobicContact CD1-CG2 3.73Å; Y20-I94 HydrophobicContact CG-CG2 4.46Å; P22-I94 HydrophobicContact CB-CG1 4.12Å; P22-I94 HydrophobicContact CG-CG1 4.33Å; A41-I94 HydrophobicContact CB-CD1 3.57Å; I42-I94 HydrophobicContact CG1-CD1 3.89Å; L45-I94 HydrophobicContact CD1-CB 3.99Å; L45-I94 HydrophobicContact CD1-CD1 4.33Å; L45-I94 HydrophobicContact CD1-CG2 3.65Å; Y92-I94 HydrophobicContact CD2-CD1 4.35Å; Y92-I94 HydrophobicContact CD2-CG1 4.14Å; Y92-I94 HydrophobicContact CE2-CD1 3.82Å; Y92-I94 HydrophobicContact CE2-CG1 4.09Å; I94-K96 PolarHBondContact O-N 2.62Å; I94-K96 VanDerWaalsContact O-N 3.14Å; I94-Y97 PolarHBondContact N-O 2.84Å; I94-Y97 PolarHBondContact O-N 3.32Å; I94-I99 HydrophobicContact CD1-CD1 4.19Å; I94-I99 HydrophobicContact CG1-CD1 4.43Å
95G91.8Very high96.7Very high39 Ų3939.8 Ų39.840%0.40220%0.201SC..THydrogen-bonded Turntrans58.9-116.2-173.300000111.6N19N19-G95 WeakPolarHBondContact O-CA 3.28Å; N19-G95 PolarHBondContact O-N 2.84Å
96K92.5Very high96.7Very high114 Ų11437.1 Ų37.150%0.49619%0.19SC..THydrogen-bonded Turntrans-91.6-1.3179.768.9-175.2175.9-170.30114.4I94I94-K96 PolarHBondContact O-N 2.62Å; I94-K96 VanDerWaalsContact O-N 3.14Å
97Y96.1Very high96.8Very high41 Ų4133.4 Ų33.416%0.16116%0.163CC..EExtended strand (participates in β ladder)trans-100.5118.3-175.7-61.5-77.5000109.3L45 E51 V74 F93 I94L45-Y97 HydrophobicContact CD1-CD2 4.32Å; L45-Y97 HydrophobicContact CD2-CD2 3.68Å; L45-Y97 HydrophobicContact CD2-CE2 3.7Å; L45-Y97 HydrophobicContact CD2-CG 4.2Å; E51-Y97 HydrophobicContact CG-CD1 4.13Å; E51-Y97 HydrophobicContact CG-CE1 3.77Å; V74-Y97 HydrophobicContact CG1-CD1 4.19Å; F93-Y97 VanDerWaalsContact CA-O 3.29Å; F93-Y97 WeakPolarHBondContact CA-O 3.38Å; I94-Y97 PolarHBondContact N-O 2.84Å; I94-Y97 PolarHBondContact O-N 3.32Å
98A97.5Very high96.8Very high2 Ų228.3 Ų28.32%0.01713%0.134CC..EExtended strand (participates in β ladder)trans-79.7135.5161.600000108.4V74 G75 F78 Y91 F93V74-A98 WeakPolarHBondContact CA-O 3.45Å; G75-A98 PolarHBondContact N-O 3.44Å; G75-A98 WeakPolarHBondContact O-CB 3.36Å; G75-A98 PolarHBondContact O-N 2.95Å; F78-A98 HydrophobicContact CD1-CB 4.27Å; F78-A98 HydrophobicContact CE1-CB 3.43Å; F78-A98 VanDerWaalsContact CE1-CB 3.43Å; F78-A98 WeakPolarHBondContact CE1-O 3.44Å; F78-A98 HydrophobicContact CZ-CB 3.82Å; Y91-A98 HydrophobicContact CE2-CB 4.04Å; F93-A98 HydrophobicContact CD1-CB 3.96Å; F93-A98 HydrophobicContact CE1-CB 3.51Å; F93-A98 HydrophobicContact CZ-CB 3.85Å
99I98.4Very high96.8Very high0 Ų029.2 Ų29.20%014%0.137CC..EExtended strand (participates in β ladder)trans-130.1121.5-178-54.2174.1000108A41 I58 I73 V74 Y91 Y92 I94A41-I99 HydrophobicContact CB-CD1 3.65Å; I58-I99 HydrophobicContact CD1-CD1 4.43Å; I58-I99 HydrophobicContact CD1-CG2 3.89Å; I73-I99 WeakPolarHBondContact O-CA 2.9Å; V74-I99 HydrophobicContact CG1-CG1 4.31Å; V74-I99 HydrophobicContact CG2-CG1 4.19Å; V74-I99 HydrophobicContact CG2-CG2 4.09Å; Y91-I99 WeakPolarHBondContact CA-O 3.41Å; Y91-I99 WeakPolarHBondContact CD2-O 3.29Å; Y92-I99 HydrophobicContact CD1-CB 4.13Å; Y92-I99 HydrophobicContact CD1-CG2 4.35Å; Y92-I99 HydrophobicContact CD2-CB 4.41Å; Y92-I99 HydrophobicContact CD2-CD1 4.4Å; Y92-I99 HydrophobicContact CE1-CB 3.74Å; Y92-I99 HydrophobicContact CE1-CG2 3.53Å; Y92-I99 HydrophobicContact CE2-CB 4.03Å; Y92-I99 HydrophobicContact CE2-CD1 3.62Å; Y92-I99 HydrophobicContact CE2-CG1 4.34Å; Y92-I99 HydrophobicContact CE2-CG2 4.34Å; Y92-I99 HydrophobicContact CG-CB 4.46Å; Y92-I99 PolarHBondContact N-O 2.76Å; Y92-I99 PolarHBondContact O-N 2.76Å; Y92-I99 WeakPolarHBondContact OH-CG2 3.11Å; I94-I99 HydrophobicContact CD1-CD1 4.19Å; I94-I99 HydrophobicContact CG1-CD1 4.43Å
100L98.5Very high96.7Very high2 Ų229.9 Ų29.91%0.0114%0.14CC..EExtended strand (participates in β ladder)trans-116.5123.6178179.769.9000108C72 I73 F78 F82 F89 Y91 W102C72-L100 CarbonylContact C-O 3.54Å; C72-L100 VanDerWaalsContact CA-O 3.25Å; C72-L100 WeakPolarHBondContact CA-O 3.19Å; C72-L100 PolarHBondContact SG-O 3.46Å; I73-L100 HydrophobicContact CB-CB 4.34Å; I73-L100 HydrophobicContact CD1-CD2 4.42Å; I73-L100 PolarHBondContact N-O 3.17Å; I73-L100 PolarHBondContact O-N 2.96Å; F78-L100 HydrophobicContact CE2-CB 3.85Å; F78-L100 HydrophobicContact CE2-CD2 4.05Å; F78-L100 HydrophobicContact CZ-CB 3.75Å; F82-L100 HydrophobicContact CD1-CD2 4.35Å; F82-L100 HydrophobicContact CE1-CD1 3.95Å; F82-L100 HydrophobicContact CE1-CD2 3.71Å; F82-L100 HydrophobicContact CE1-CG 4.33Å; F82-L100 HydrophobicContact CZ-CD1 3.85Å; F82-L100 HydrophobicContact CZ-CD2 4.28Å; F82-L100 HydrophobicContact CZ-CG 4.44Å; F89-L100 HydrophobicContact CD2-CD1 4.29Å; F89-L100 HydrophobicContact CE2-CD1 3.54Å; F89-L100 HydrophobicContact CZ-CD1 4.48Å; Y91-L100 HydrophobicContact CD2-CB 4.13Å; Y91-L100 HydrophobicContact CD2-CD1 3.99Å; Y91-L100 HydrophobicContact CG-CD1 4.31Å; L100-W102 HydrophobicContact CB-CE3 4.49Å; L100-W102 HydrophobicContact CB-CZ3 4.26Å; L100-W102 HydrophobicContact CD2-CE3 3.89Å; L100-W102 HydrophobicContact CD2-CH2 4.22Å; L100-W102 HydrophobicContact CD2-CZ3 3.58Å; L100-W102 HydrophobicContact CG-CE3 3.6Å; L100-W102 HydrophobicContact CG-CZ3 3.63Å
101L98.6Very high96.6Very high0 Ų032.2 Ų32.20%015%0.151CC..EExtended strand (participates in β ladder)trans-132.6126.4179.917271.7000108.9M29 A37 I58 F62 W70 Q71 C72 I90M29-L101 HydrophobicContact CE-CD2 4.15Å; M29-L101 HydrophobicContact CE-CG 4.44Å; A37-L101 HydrophobicContact CB-CD2 4.16Å; I58-L101 HydrophobicContact CG2-CD1 4.04Å; I58-L101 HydrophobicContact CG2-CD2 3.79Å; I58-L101 HydrophobicContact CG2-CG 4.4Å; F62-L101 HydrophobicContact CD1-CD2 3.76Å; F62-L101 HydrophobicContact CD2-CD2 3.59Å; F62-L101 HydrophobicContact CE1-CD2 3.65Å; F62-L101 HydrophobicContact CE2-CD2 3.49Å; F62-L101 VanDerWaalsContact CE2-CD2 3.49Å; F62-L101 HydrophobicContact CG-CD1 4.4Å; F62-L101 HydrophobicContact CG-CD2 3.73Å; F62-L101 HydrophobicContact CZ-CD2 3.52Å; W70-L101 HydrophobicContact CB-CD1 4.27Å; W70-L101 HydrophobicContact CD2-CD1 4.48Å; W70-L101 HydrophobicContact CE3-CD1 3.79Å; W70-L101 HydrophobicContact CE3-CD2 4.45Å; W70-L101 HydrophobicContact CE3-CG 3.84Å; W70-L101 HydrophobicContact CZ3-CG 4.15Å; Q71-L101 WeakPolarHBondContact O-CA 3.4Å; Q71-L101 WeakPolarHBondContact O-CD1 3.49Å; C72-L101 HydrophobicContact CB-CD1 4.01Å; I90-L101 HydrophobicContact CG2-CB 3.78Å; I90-L101 HydrophobicContact CG2-CD2 3.97Å; I90-L101 HydrophobicContact CG2-CG 4.28Å; I90-L101 PolarHBondContact N-O 2.89Å; I90-L101 PolarHBondContact O-N 3.28Å
102W98.1Very high96.5Very high37 Ų3730.5 Ų30.514%0.1415%0.147CC..EExtended strand (participates in β ladder)trans-150.6165-179.472.5103.4000112.1W70 Q71 I73 F82 H84 C88 F89 L100W70-W102 CarbonylContact C-O 3.51Å; W70-W102 WeakPolarHBondContact CA-O 3.28Å; W70-W102 VanDerWaalsContact CE3-C 3.49Å; Q71-W102 HydrophobicContact CB-CD2 3.83Å; Q71-W102 VanDerWaalsContact CB-CE2 3.49Å; Q71-W102 HydrophobicContact CB-CE3 4.1Å; Q71-W102 HydrophobicContact CB-CG 4.49Å; Q71-W102 HydrophobicContact CB-CH2 3.81Å; Q71-W102 HydrophobicContact CB-CZ2 3.5Å; Q71-W102 VanDerWaalsContact CB-CZ2 3.5Å; Q71-W102 HydrophobicContact CB-CZ3 4.1Å; Q71-W102 HydrophobicContact CG-CZ2 4.16Å; Q71-W102 PolarHBondContact N-O 2.85Å; Q71-W102 PolarHBondContact O-N 3.12Å; I73-W102 HydrophobicContact CB-CZ3 4.36Å; I73-W102 HydrophobicContact CD1-CH2 3.55Å; I73-W102 HydrophobicContact CD1-CZ3 4.01Å; I73-W102 HydrophobicContact CG1-CH2 3.72Å; I73-W102 HydrophobicContact CG1-CZ3 3.89Å; F82-W102 HydrophobicContact CD2-CB 4.48Å; F82-W102 AromaticContact CD2-CD1 3.69Å; F82-W102 HydrophobicContact CD2-CD2 4.32Å; F82-W102 AromaticContact CD2-CG 3.94Å; F82-W102 HydrophobicContact CD2-CG 3.94Å; F82-W102 AromaticContact CD2-NE1 3.9Å; F82-W102 HydrophobicContact CE2-CB 3.87Å; F82-W102 AromaticContact CE2-CD1 3.95Å; F82-W102 HydrophobicContact CE2-CD2 4.23Å; F82-W102 AromaticContact CE2-CG 3.75Å; F82-W102 HydrophobicContact CE2-CG 3.75Å; F82-W102 HydrophobicContact CZ-CG 4.46Å; H84-W102 HydrophobicContact CB-CB 4.12Å; C88-W102 CarbonylContact O-C 3.51Å; C88-W102 WeakPolarHBondContact O-CA 3.35Å; F89-W102 HydrophobicContact CD2-CB 4.34Å; L100-W102 HydrophobicContact CB-CE3 4.49Å; L100-W102 HydrophobicContact CB-CZ3 4.26Å; L100-W102 HydrophobicContact CD2-CE3 3.89Å; L100-W102 HydrophobicContact CD2-CH2 4.22Å; L100-W102 HydrophobicContact CD2-CZ3 3.58Å; L100-W102 HydrophobicContact CG-CE3 3.6Å; L100-W102 HydrophobicContact CG-CZ3 3.63Å
103R96Very high96.3Very high69 Ų6933.3 Ų33.326%0.2616%0.16SC..  trans-124.50166-171167.468.6-158.7-3.9110.5Y66 G67 W70 H84 E85 C88Y66-R103 PolarHBondContact O-NH1 2.77Å; Y66-R103 VanDerWaalsContact O-NH1 3.1Å; G67-R103 PolarHBondContact O-NH1 3.01Å; W70-R103 HydrophobicContact CD2-CB 3.94Å; W70-R103 HydrophobicContact CE3-CB 3.99Å; W70-R103 HydrophobicContact CG-CB 4.41Å; W70-R103 HydrophobicContact CZ2-CB 4.47Å; W70-R103 HydrophobicContact CZ3-CB 4.26Å; H84-R103 CarbonylContact C-O 3.54Å; H84-R103 VanDerWaalsContact CA-O 3.31Å; H84-R103 WeakPolarHBondContact CA-O 3.31Å; H84-R103 WeakPolarHBondContact CB-O 3.22Å; E85-R103 PolarHBondContact N-O 3.13Å; E85-R103 IonicContact OE1-NE 3.61Å; E85-R103 IonicContact OE2-CZ 2.68Å; E85-R103 VanDerWaalsContact OE2-CZ 3.3Å; E85-R103 IonicContact OE2-NE 2.85Å; E85-R103 PolarHBondContact OE2-NE 3.01Å; E85-R103 IonicContact OE2-NH2 2.74Å; E85-R103 PolarHBondContact OE2-NH2 2.76Å; C88-R103 HydrophobicContact CB-CB 4Å; C88-R103 PolarHBondContact O-N 3.1Å; C88-R103 VanDerWaalsContact O-N 3.12Å

Retrieved 103 of 103 residues in 34.6 ms (Link to these results)

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