A0A087YLB6_POEFO Loading...

Zinc finger, SWIM-type containing 7

AlphaFold DB , UniProt , Accession A0A087YLB6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 132 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
1M44.5Very low83.4Confident235 Ų23594.1 Ų94.1100%1.15848%0.478SS*.  0109.70-162.5170.5174.100106.6T3M1-T3 PolarHBondContact O-N 3.2Å
2R56.6Low84.6Confident208 Ų20887 Ų8779%0.78544%0.442SS*.PPolyproline II helixtrans-75123.2175-79.6-178.7178.1170-0.5107F4R2-F4 HydrophobicContact CB-CE1 4.32Å; R2-F4 HydrophobicContact CB-CE2 3.93Å; R2-F4 HydrophobicContact CB-CZ 3.75Å; R2-F4 WeakPolarHBondContact O-CD2 3.39Å; R2-F4 WeakPolarHBondContact O-CE2 3.27Å
3T71.9Confident85.6Confident61 Ų6181.5 Ų81.537%0.37441%0.413SS..PPolyproline II helixtrans-78.4129.7168.849.20000107.7M1 S81 C82 H83M1-T3 PolarHBondContact O-N 3.2Å; T3-S81 PolarHBondContact OG1-O 2.79Å; T3-C82 VanDerWaalsContact OG1-CA 3.28Å; T3-C82 WeakPolarHBondContact OG1-CA 3.36Å; T3-H83 PolarHBondContact O-CE1 3.08Å; T3-H83 PolarHBondContact O-NE2 3.07Å; T3-H83 PolarHBondContact OG1-CE1 3.11Å; T3-H83 PolarHBondContact OG1-ND1 2.95Å
4F79.6Confident86.5Confident152 Ų15283.8 Ų83.867%0.66742%0.415SS*.PPolyproline II helixtrans-103.7147.7177-62.7-81.7000109.4R2R2-F4 HydrophobicContact CB-CE1 4.32Å; R2-F4 HydrophobicContact CB-CE2 3.93Å; R2-F4 HydrophobicContact CB-CZ 3.75Å; R2-F4 WeakPolarHBondContact O-CD2 3.39Å; R2-F4 WeakPolarHBondContact O-CE2 3.27Å
5L90.7Very high87.3Confident14 Ų1482.2 Ų82.27%0.07341%0.408CS..PPolyproline II helixtrans-78.4159.2168.7-69177.5000108.5A7 A9 E10 F13 L102 Y110L5-A7 PolarHBondContact O-N 3.32Å; L5-A9 HydrophobicContact CB-CB 4.15Å; L5-A9 HydrophobicContact CD1-CB 4.5Å; L5-E10 HydrophobicContact CB-CG 3.8Å; L5-E10 PolarHBondContact N-OE1 2.82Å; L5-F13 HydrophobicContact CD1-CD2 4.32Å; L5-F13 HydrophobicContact CD1-CE2 3.69Å; L5-L102 HydrophobicContact CD1-CD1 4.3Å; L5-L102 HydrophobicContact CD2-CD1 4.08Å; L5-L102 HydrophobicContact CD2-CD2 4.02Å; L5-L102 HydrophobicContact CD2-CG 4.1Å; L5-Y110 HydrophobicContact CD1-CD2 4.27Å; L5-Y110 HydrophobicContact CD1-CE1 4.18Å; L5-Y110 HydrophobicContact CD1-CE2 3.85Å
6P93.1Very high87.9Confident57 Ų5777.1 Ų77.137%0.3738%0.383SS..PPolyproline II helixtrans-53.7142168.8-24.934.9000110.6V8 A9 E10 L101P6-V8 HydrophobicContact CB-CG1 4.15Å; P6-V8 PolarHBondContact O-N 3.39Å; P6-A9 WeakPolarHBondContact O-CB 3.43Å; P6-A9 PolarHBondContact O-N 2.85Å; P6-E10 PolarHBondContact O-N 3.09Å; P6-L101 HydrophobicContact CG-CD1 3.96Å; P6-L101 HydrophobicContact CG-CD2 3.68Å; P6-L101 HydrophobicContact CG-CG 4.47Å
7A95.3Very high88.5Confident75 Ų7577.6 Ų77.662%0.6238%0.384SS*.Hα-helixtrans-53.9-33.5-175.100000113.5L5 E10 Q11L5-A7 PolarHBondContact O-N 3.32Å; A7-E10 PolarHBondContact O-N 3.47Å; A7-Q11 WeakPolarHBondContact O-CB 3.36Å; A7-Q11 PolarHBondContact O-N 3.22Å
8V95.9Very high89Confident90 Ų9080.8 Ų80.855%0.54540%0.395SS..Hα-helixtrans-62.8-40175.364.90000112.7P6 L12 V37P6-V8 HydrophobicContact CB-CG1 4.15Å; P6-V8 PolarHBondContact O-N 3.39Å; V8-L12 WeakPolarHBondContact O-CB 3.36Å; V8-L12 PolarHBondContact O-N 3.46Å; V8-V37 HydrophobicContact CG2-CG2 4.14Å
9A96.6Very high89.4Confident0 Ų079.3 Ų79.30%039%0.388CS..Hα-helixtrans-69.9-42.4177.800000110.8L5 P6 L12 F13 V37 F38 L101L5-A9 HydrophobicContact CB-CB 4.15Å; L5-A9 HydrophobicContact CD1-CB 4.5Å; P6-A9 WeakPolarHBondContact O-CB 3.43Å; P6-A9 PolarHBondContact O-N 2.85Å; A9-L12 PolarHBondContact O-N 2.91Å; A9-F13 WeakPolarHBondContact O-CD2 3.47Å; A9-F13 PolarHBondContact O-N 2.93Å; A9-V37 HydrophobicContact CB-CG1 4.13Å; A9-F38 HydrophobicContact CB-CE1 4.29Å; A9-F38 HydrophobicContact CB-CZ 3.74Å; A9-L101 HydrophobicContact CB-CD1 4.39Å
10E95.8Very high89.8Confident62 Ų6277.6 Ų77.629%0.2938%0.378SS..Hα-helixtrans-64.3-41.4176.7-60.7-173.3165.200112.3L5 P6 A7 L12 F13 R14L5-E10 HydrophobicContact CB-CG 3.8Å; L5-E10 PolarHBondContact N-OE1 2.82Å; P6-E10 PolarHBondContact O-N 3.09Å; A7-E10 PolarHBondContact O-N 3.47Å; E10-L12 VanDerWaalsContact C-N 3.34Å; E10-F13 PolarHBondContact O-N 2.89Å; E10-R14 PolarHBondContact O-N 3.09Å; E10-R14 VanDerWaalsContact O-N 3.17Å; E10-R14 IonicContact OE2-NH1 3.92Å
11Q97.5Very high90.1Very high81 Ų8180.1 Ų80.138%0.37939%0.389SS..Hα-helixtrans-63.6-43.1176.8-172.758.144.200111.1A7 F13 R14 D15A7-Q11 WeakPolarHBondContact O-CB 3.36Å; A7-Q11 PolarHBondContact O-N 3.22Å; Q11-F13 VanDerWaalsContact C-N 3.31Å; Q11-F13 PolarHBondContact O-N 3.22Å; Q11-R14 WeakPolarHBondContact O-CB 3.41Å; Q11-R14 PolarHBondContact O-N 2.97Å; Q11-R14 VanDerWaalsContact OE1-NE 3.12Å; Q11-D15 PolarHBondContact NE2-OD1 3.41Å; Q11-D15 VanDerWaalsContact O-CG 3.3Å; Q11-D15 PolarHBondContact O-N 3.28Å
12L98Very high92.4Very high9 Ų976 Ų765%0.04737%0.367CS..Hα-helixtrans-58.4-41.8177.9-178.455.5000112.3V8 A9 E10 D15 I16 L30 A33 L34 V37 F38V8-L12 WeakPolarHBondContact O-CB 3.36Å; V8-L12 PolarHBondContact O-N 3.46Å; A9-L12 PolarHBondContact O-N 2.91Å; E10-L12 VanDerWaalsContact C-N 3.34Å; L12-D15 PolarHBondContact O-N 3.12Å; L12-I16 HydrophobicContact CD1-CD1 4.28Å; L12-I16 HydrophobicContact CD1-CG1 4.45Å; L12-I16 HydrophobicContact CG-CD1 4.17Å; L12-I16 VanDerWaalsContact O-CG1 3.27Å; L12-I16 WeakPolarHBondContact O-CG1 3.37Å; L12-I16 PolarHBondContact O-N 3.37Å; L12-L30 HydrophobicContact CD1-CB 4.49Å; L12-L30 HydrophobicContact CD1-CD2 3.93Å; L12-A33 HydrophobicContact CD1-CB 3.83Å; L12-A33 HydrophobicContact CD2-CB 4.19Å; L12-L34 HydrophobicContact CD2-CB 4.42Å; L12-L34 HydrophobicContact CD2-CD2 3.7Å; L12-L34 HydrophobicContact CD2-CG 3.93Å; L12-L34 HydrophobicContact CG-CD2 4.16Å; L12-L34 HydrophobicContact CG-CG 4.38Å; L12-V37 HydrophobicContact CD2-CB 4.4Å; L12-V37 HydrophobicContact CD2-CG2 4.22Å; L12-F38 HydrophobicContact CD2-CE2 4.22Å
13F97.8Very high94.2Very high15 Ų1569 Ų697%0.06635%0.348CS..Hα-helixtrans-66.5-35.6175.1-64.4-51.5000113.2L5 A9 E10 Q11 I16 Q17 L34 F38 L107 Y110 L111L5-F13 HydrophobicContact CD1-CD2 4.32Å; L5-F13 HydrophobicContact CD1-CE2 3.69Å; A9-F13 WeakPolarHBondContact O-CD2 3.47Å; A9-F13 PolarHBondContact O-N 2.93Å; E10-F13 PolarHBondContact O-N 2.89Å; Q11-F13 VanDerWaalsContact C-N 3.31Å; Q11-F13 PolarHBondContact O-N 3.22Å; F13-I16 HydrophobicContact CD1-CD1 4.5Å; F13-Q17 WeakPolarHBondContact O-CB 3.09Å; F13-Q17 PolarHBondContact O-N 3.33Å; F13-L34 HydrophobicContact CE1-CD2 4.48Å; F13-F38 HydrophobicContact CE1-CE2 4.26Å; F13-F38 HydrophobicContact CE1-CZ 4.3Å; F13-F38 HydrophobicContact CE2-CE2 4.49Å; F13-F38 AromaticContact CE2-CZ 3.82Å; F13-F38 HydrophobicContact CE2-CZ 3.82Å; F13-F38 HydrophobicContact CZ-CE1 4.31Å; F13-F38 AromaticContact CZ-CE2 3.82Å; F13-F38 HydrophobicContact CZ-CE2 3.82Å; F13-F38 AromaticContact CZ-CZ 3.42Å; F13-F38 HydrophobicContact CZ-CZ 3.42Å; F13-F38 VanDerWaalsContact CZ-CZ 3.42Å; F13-L107 HydrophobicContact CE1-CD1 3.75Å; F13-L107 HydrophobicContact CZ-CD1 3.54Å; F13-Y110 HydrophobicContact CD2-CD1 4.12Å; F13-Y110 HydrophobicContact CD2-CG 4.25Å; F13-Y110 HydrophobicContact CE2-CD1 4.07Å; F13-Y110 HydrophobicContact CE2-CD2 4.29Å; F13-Y110 AromaticContact CE2-CG 3.79Å; F13-Y110 HydrophobicContact CE2-CG 3.79Å; F13-Y110 VanDerWaalsContact CZ-CB 3.46Å; F13-Y110 HydrophobicContact CZ-CD2 4.41Å; F13-Y110 AromaticContact CZ-CG 3.95Å; F13-Y110 HydrophobicContact CZ-CG 3.95Å; F13-L111 HydrophobicContact CD1-CD2 4.26Å; F13-L111 HydrophobicContact CE1-CD2 3.97Å; F13-L111 HydrophobicContact CE1-CG 4.23Å
14R97.7Very high95.3Very high114 Ų11470.9 Ų70.943%0.4336%0.359SS..Hα-helixtrans-65.2-41.4174.2-72.2-172.6-69.9-91.74.2112E10 Q11 Q17 K18E10-R14 PolarHBondContact O-N 3.09Å; E10-R14 VanDerWaalsContact O-N 3.17Å; E10-R14 IonicContact OE2-NH1 3.92Å; Q11-R14 WeakPolarHBondContact O-CB 3.41Å; Q11-R14 PolarHBondContact O-N 2.97Å; Q11-R14 VanDerWaalsContact OE1-NE 3.12Å; R14-Q17 PolarHBondContact O-N 2.92Å; R14-K18 PolarHBondContact O-N 3.19Å
15D97.9Very high96Very high60 Ų6070.3 Ų70.332%0.32136%0.359SS..Hα-helixtrans-66.3-43.3178.5-63.3-22000110.8Q11 L12 Q17 K18 I19 L30Q11-D15 PolarHBondContact NE2-OD1 3.41Å; Q11-D15 VanDerWaalsContact O-CG 3.3Å; Q11-D15 PolarHBondContact O-N 3.28Å; L12-D15 PolarHBondContact O-N 3.12Å; D15-Q17 PolarHBondContact O-N 3.34Å; D15-K18 PolarHBondContact O-N 2.9Å; D15-I19 WeakPolarHBondContact O-CG1 3.32Å; D15-I19 PolarHBondContact O-N 3.44Å; D15-L30 HydrophobicContact CB-CD1 4.29Å; D15-L30 HydrophobicContact CB-CD2 4.31Å
16I98.1Very high96.2Very high1 Ų170.9 Ų70.91%0.00536%0.361CS..Hα-helixtrans-58.2-49.2172.7-69.4166.4000110.3L12 F13 K18 I19 Y20 I26 L30 L34 L111 A114 M115L12-I16 HydrophobicContact CD1-CD1 4.28Å; L12-I16 HydrophobicContact CD1-CG1 4.45Å; L12-I16 HydrophobicContact CG-CD1 4.17Å; L12-I16 VanDerWaalsContact O-CG1 3.27Å; L12-I16 WeakPolarHBondContact O-CG1 3.37Å; L12-I16 PolarHBondContact O-N 3.37Å; F13-I16 HydrophobicContact CD1-CD1 4.5Å; I16-K18 PolarHBondContact O-N 2.86Å; I16-I19 PolarHBondContact O-N 3.06Å; I16-Y20 WeakPolarHBondContact O-CB 3.45Å; I16-Y20 PolarHBondContact O-N 2.75Å; I16-I26 HydrophobicContact CG1-CG2 4.46Å; I16-I26 HydrophobicContact CG2-CD1 4.21Å; I16-I26 HydrophobicContact CG2-CG1 4.32Å; I16-L30 HydrophobicContact CG1-CB 4.41Å; I16-L30 HydrophobicContact CG1-CD1 3.82Å; I16-L34 HydrophobicContact CD1-CD1 3.75Å; I16-L34 HydrophobicContact CD1-CD2 3.88Å; I16-L34 HydrophobicContact CD1-CG 3.92Å; I16-L111 HydrophobicContact CD1-CD2 3.88Å; I16-A114 HydrophobicContact CG2-CB 4.12Å; I16-M115 HydrophobicContact CG2-CG 4.09Å
17Q98.1Very high96.4Very high86 Ų8670.7 Ų70.740%0.40236%0.36SS..Hα-helixtrans-55.5-53.1179.7177.3-178.3-4.200111.2F13 R14 D15 I19 Y20 E21 A114F13-Q17 WeakPolarHBondContact O-CB 3.09Å; F13-Q17 PolarHBondContact O-N 3.33Å; R14-Q17 PolarHBondContact O-N 2.92Å; D15-Q17 PolarHBondContact O-N 3.34Å; Q17-I19 PolarHBondContact O-N 3.04Å; Q17-Y20 PolarHBondContact O-N 2.9Å; Q17-E21 HydrophobicContact CG-CG 4.5Å; Q17-E21 VanDerWaalsContact CG-OE1 3.28Å; Q17-E21 WeakPolarHBondContact CG-OE1 3.3Å; Q17-E21 PolarHBondContact NE2-OE1 2.9Å; Q17-E21 WeakPolarHBondContact O-CB 3.4Å; Q17-E21 VanDerWaalsContact O-CG 3.3Å; Q17-E21 WeakPolarHBondContact O-CG 3.28Å; Q17-E21 PolarHBondContact O-N 3.38Å; Q17-A114 VanDerWaalsContact CA-O 3.28Å; Q17-A114 WeakPolarHBondContact CA-O 3.27Å; Q17-A114 HydrophobicContact CB-CB 4.19Å; Q17-A114 WeakPolarHBondContact CB-O 3.49Å; Q17-A114 WeakPolarHBondContact CG-O 3.29Å
18K97.5Very high96.5Very high134 Ų13472.8 Ų72.858%0.58336%0.361SS*.Hα-helixtrans-58.3-47.9-177.6-176-175.9175.7-1720112.1R14 D15 I16R14-K18 PolarHBondContact O-N 3.19Å; D15-K18 PolarHBondContact O-N 2.9Å; I16-K18 PolarHBondContact O-N 2.86Å
19I96.8Very high96.6Very high52 Ų5274.7 Ų74.727%0.26737%0.368SS..Hα-helixtrans-71.9-37.9-177.3-63.2-179000111.2D15 I16 Q17 E21 E22 T23 P27 L30D15-I19 WeakPolarHBondContact O-CG1 3.32Å; D15-I19 PolarHBondContact O-N 3.44Å; I16-I19 PolarHBondContact O-N 3.06Å; Q17-I19 PolarHBondContact O-N 3.04Å; I19-E21 VanDerWaalsContact C-N 3.34Å; I19-E22 PolarHBondContact O-N 3.03Å; I19-T23 HydrophobicContact CG2-CG2 4.14Å; I19-T23 WeakPolarHBondContact O-CB 3.49Å; I19-T23 PolarHBondContact O-N 3.37Å; I19-T23 PolarHBondContact O-OG1 3.05Å; I19-P27 HydrophobicContact CD1-CG 4.11Å; I19-P27 HydrophobicContact CG2-CG 3.69Å; I19-L30 HydrophobicContact CD1-CD1 3.75Å; I19-L30 HydrophobicContact CD1-CG 4.49Å
20Y96.6Very high96.6Very high45 Ų4575.8 Ų75.818%0.17637%0.374CS..Hα-helixtrans-70.1-32.7-177.9-162.6-89.1000112.1I16 Q17 E22 T24 I26 M115 V117I16-Y20 WeakPolarHBondContact O-CB 3.45Å; I16-Y20 PolarHBondContact O-N 2.75Å; Q17-Y20 PolarHBondContact O-N 2.9Å; Y20-E22 PolarHBondContact O-N 2.86Å; Y20-T24 WeakPolarHBondContact CE2-O 3.28Å; Y20-T24 WeakPolarHBondContact O-CA 3.37Å; Y20-T24 PolarHBondContact O-N 3.41Å; Y20-I26 HydrophobicContact CD2-CG1 4Å; Y20-I26 HydrophobicContact CE2-CG1 4.41Å; Y20-M115 HydrophobicContact CD1-CB 3.73Å; Y20-M115 HydrophobicContact CD1-CG 4.08Å; Y20-M115 WeakPolarHBondContact CD1-O 3.43Å; Y20-M115 HydrophobicContact CD2-CB 4.44Å; Y20-M115 HydrophobicContact CD2-CE 4.11Å; Y20-M115 HydrophobicContact CD2-CG 3.94Å; Y20-M115 HydrophobicContact CE1-CB 3.72Å; Y20-M115 HydrophobicContact CE1-CE 4.36Å; Y20-M115 HydrophobicContact CE1-CG 4.26Å; Y20-M115 WeakPolarHBondContact CE1-O 3.44Å; Y20-M115 HydrophobicContact CE2-CB 4.44Å; Y20-M115 HydrophobicContact CE2-CE 3.4Å; Y20-M115 VanDerWaalsContact CE2-CE 3.4Å; Y20-M115 HydrophobicContact CE2-CG 4.12Å; Y20-M115 HydrophobicContact CG-CB 4.1Å; Y20-M115 HydrophobicContact CG-CG 3.91Å; Y20-V117 HydrophobicContact CE1-CG1 4.44Å
21E95.2Very high96.7Very high132 Ų13275.7 Ų75.762%0.61738%0.375SS*.Hα-helixtrans-57.6-34.2171.2-78.3172.7-170.500112.1Q17 I19Q17-E21 HydrophobicContact CG-CG 4.5Å; Q17-E21 VanDerWaalsContact CG-OE1 3.28Å; Q17-E21 WeakPolarHBondContact CG-OE1 3.3Å; Q17-E21 PolarHBondContact NE2-OE1 2.9Å; Q17-E21 WeakPolarHBondContact O-CB 3.4Å; Q17-E21 VanDerWaalsContact O-CG 3.3Å; Q17-E21 WeakPolarHBondContact O-CG 3.28Å; Q17-E21 PolarHBondContact O-N 3.38Å; I19-E21 VanDerWaalsContact C-N 3.34Å
22E94.3Very high96.7Very high148 Ų14877 Ų7769%0.69238%0.383SS*.Hα-helixtrans-90.6-39.5-178.2-65.7175.1-17400113.1I19 Y20I19-E22 PolarHBondContact O-N 3.03Å; Y20-E22 PolarHBondContact O-N 2.86Å
23T94.6Very high96.7Very high62 Ų6278.1 Ų78.138%0.3839%0.393SS..Hα-helixtrans-112.8-16.2-165.764.60000114I19 Q25I19-T23 HydrophobicContact CG2-CG2 4.14Å; I19-T23 WeakPolarHBondContact O-CB 3.49Å; I19-T23 PolarHBondContact O-N 3.37Å; I19-T23 PolarHBondContact O-OG1 3.05Å; T23-Q25 PolarHBondContact O-N 3.17Å; T23-Q25 VanDerWaalsContact O-N 3.12Å; T23-Q25 PolarHBondContact OG1-N 3.34Å; T23-Q25 PolarHBondContact OG1-O 3.4Å; T23-Q25 VanDerWaalsContact OG1-O 3.06Å
24T93.9Very high96.7Very high99 Ų9977.5 Ų77.561%0.60739%0.391SS*.SBendtrans54.420.9-169.664.90000114.3Y20Y20-T24 WeakPolarHBondContact CE2-O 3.28Å; Y20-T24 WeakPolarHBondContact O-CA 3.37Å; Y20-T24 PolarHBondContact O-N 3.41Å
25Q94.4Very high96.7Very high141 Ų14176.9 Ų76.966%0.65939%0.391SS*.SBendtrans-136.2151.6179.9-66.6-174.5-15.900110.1T23T23-Q25 PolarHBondContact O-N 3.17Å; T23-Q25 VanDerWaalsContact O-N 3.12Å; T23-Q25 PolarHBondContact OG1-N 3.34Å; T23-Q25 PolarHBondContact OG1-O 3.4Å; T23-Q25 VanDerWaalsContact OG1-O 3.06Å
26I95.8Very high96.6Very high26 Ų2682.8 Ų82.813%0.13341%0.414CS..  trans-98.3118.1170.6-54.1179.9000107.2I16 Y20 L30 L31 L46 M115I16-I26 HydrophobicContact CG1-CG2 4.46Å; I16-I26 HydrophobicContact CG2-CD1 4.21Å; I16-I26 HydrophobicContact CG2-CG1 4.32Å; Y20-I26 HydrophobicContact CD2-CG1 4Å; Y20-I26 HydrophobicContact CE2-CG1 4.41Å; I26-L30 HydrophobicContact CG2-CB 3.74Å; I26-L31 HydrophobicContact CB-CD2 4.04Å; I26-L31 HydrophobicContact CB-CG 4.31Å; I26-L31 HydrophobicContact CD1-CD2 4.44Å; I26-L31 HydrophobicContact CG2-CD2 3.76Å; I26-L31 HydrophobicContact CG2-CG 3.89Å; I26-L46 HydrophobicContact CD1-CD2 4.04Å; I26-M115 HydrophobicContact CD1-CE 4.22Å; I26-M115 HydrophobicContact CD1-SD 3.88Å
27P96.4Very high96.6Very high52 Ų5284.1 Ų84.134%0.33842%0.423SS..  trans-61.9151.5176.1-21.832.2000112.6I19 D29 L30 L31I19-P27 HydrophobicContact CD1-CG 4.11Å; I19-P27 HydrophobicContact CG2-CG 3.69Å; P27-D29 VanDerWaalsContact C-N 3.26Å; P27-D29 PolarHBondContact O-N 3.42Å; P27-L30 PolarHBondContact O-N 2.99Å; P27-L31 PolarHBondContact O-N 3.5Å; P27-L31 VanDerWaalsContact O-N 3.09Å
28D97.4Very high96.5Very high120 Ų12080.7 Ų80.764%0.64241%0.406SS*.Hα-helixtrans-54.9-39.2-178.5-71.6-15.1000113.1L30 L31 I32D28-L30 VanDerWaalsContact C-N 3.28Å; D28-L30 PolarHBondContact O-N 3.18Å; D28-L31 WeakPolarHBondContact O-CB 3.49Å; D28-L31 PolarHBondContact O-N 2.98Å; D28-L31 VanDerWaalsContact O-N 3.09Å; D28-I32 VanDerWaalsContact O-CG1 3.27Å; D28-I32 WeakPolarHBondContact O-CG1 3.13Å; D28-I32 PolarHBondContact O-N 3.35Å
29D97.6Very high96.4Very high130 Ų13075.6 Ų75.670%0.69539%0.392SS*.Hα-helixtrans-60.8-37.1177.9-65.9-26.1000112.2P27 A33P27-D29 VanDerWaalsContact C-N 3.26Å; P27-D29 PolarHBondContact O-N 3.42Å; D29-A33 WeakPolarHBondContact O-CB 3.48Å; D29-A33 PolarHBondContact O-N 2.99Å
30L97.6Very high96.2Very high23 Ų2378.4 Ų78.412%0.1241%0.412CS..Hα-helixtrans-74.8-32.9175.3-65.4-166.8000111.9L12 D15 I16 I19 I26 P27 D28 A33 L34L12-L30 HydrophobicContact CD1-CB 4.49Å; L12-L30 HydrophobicContact CD1-CD2 3.93Å; D15-L30 HydrophobicContact CB-CD1 4.29Å; D15-L30 HydrophobicContact CB-CD2 4.31Å; I16-L30 HydrophobicContact CG1-CB 4.41Å; I16-L30 HydrophobicContact CG1-CD1 3.82Å; I19-L30 HydrophobicContact CD1-CD1 3.75Å; I19-L30 HydrophobicContact CD1-CG 4.49Å; I26-L30 HydrophobicContact CG2-CB 3.74Å; P27-L30 PolarHBondContact O-N 2.99Å; D28-L30 VanDerWaalsContact C-N 3.28Å; D28-L30 PolarHBondContact O-N 3.18Å; L30-A33 PolarHBondContact O-N 3.41Å; L30-L34 WeakPolarHBondContact O-CB 3.33Å; L30-L34 WeakPolarHBondContact O-CG 3.46Å; L30-L34 PolarHBondContact O-N 2.92Å
31L97.8Very high96.2Very high59 Ų5977.1 Ų77.131%0.30941%0.409SS..Hα-helixtrans-64.8-41.1171.8-65.9175.5000111.5I26 P27 D28 L34 K35 L46I26-L31 HydrophobicContact CB-CD2 4.04Å; I26-L31 HydrophobicContact CB-CG 4.31Å; I26-L31 HydrophobicContact CD1-CD2 4.44Å; I26-L31 HydrophobicContact CG2-CD2 3.76Å; I26-L31 HydrophobicContact CG2-CG 3.89Å; P27-L31 PolarHBondContact O-N 3.5Å; P27-L31 VanDerWaalsContact O-N 3.09Å; D28-L31 WeakPolarHBondContact O-CB 3.49Å; D28-L31 PolarHBondContact O-N 2.98Å; D28-L31 VanDerWaalsContact O-N 3.09Å; L31-L34 HydrophobicContact CD2-CD1 4.35Å; L31-L34 WeakPolarHBondContact O-CB 3.2Å; L31-L34 PolarHBondContact O-N 3.44Å; L31-K35 WeakPolarHBondContact O-CB 3.35Å; L31-K35 PolarHBondContact O-N 2.98Å; L31-L46 HydrophobicContact CD2-CD1 3.75Å; L31-L46 HydrophobicContact CD2-CD2 4.47Å
32I97.8Very high96.3Very high110 Ų11071 Ų7156%0.56438%0.381SS*.Hα-helixtrans-63.4-45.4173.8-67.5164.1000110D28 L34 K35 F36D28-I32 VanDerWaalsContact O-CG1 3.27Å; D28-I32 WeakPolarHBondContact O-CG1 3.13Å; D28-I32 PolarHBondContact O-N 3.35Å; I32-L34 PolarHBondContact O-N 3.44Å; I32-K35 WeakPolarHBondContact O-CB 3.33Å; I32-K35 PolarHBondContact O-N 2.92Å; I32-F36 WeakPolarHBondContact O-CB 3.1Å; I32-F36 PolarHBondContact O-N 3.05Å
33A97.9Very high96.5Very high31 Ų3169.2 Ų69.226%0.25638%0.376SS..Hα-helixtrans-61.2-42.2176.200000112.3L12 D29 L30 K35 F36 V37L12-A33 HydrophobicContact CD1-CB 3.83Å; L12-A33 HydrophobicContact CD2-CB 4.19Å; D29-A33 WeakPolarHBondContact O-CB 3.48Å; D29-A33 PolarHBondContact O-N 2.99Å; L30-A33 PolarHBondContact O-N 3.41Å; A33-K35 VanDerWaalsContact C-N 3.34Å; A33-K35 PolarHBondContact O-N 3.46Å; A33-F36 PolarHBondContact O-N 2.91Å; A33-V37 WeakPolarHBondContact O-CG2 3.49Å; A33-V37 PolarHBondContact O-N 2.91Å
34L97.8Very high96.6Very high2 Ų270.3 Ų70.31%0.0138%0.377CS..Hα-helixtrans-58.3-46.8173.7-81.3170.3000111.4L12 F13 I16 L30 L31 I32 F36 V37 F38 A42 L111L12-L34 HydrophobicContact CD2-CB 4.42Å; L12-L34 HydrophobicContact CD2-CD2 3.7Å; L12-L34 HydrophobicContact CD2-CG 3.93Å; L12-L34 HydrophobicContact CG-CD2 4.16Å; L12-L34 HydrophobicContact CG-CG 4.38Å; F13-L34 HydrophobicContact CE1-CD2 4.48Å; I16-L34 HydrophobicContact CD1-CD1 3.75Å; I16-L34 HydrophobicContact CD1-CD2 3.88Å; I16-L34 HydrophobicContact CD1-CG 3.92Å; L30-L34 WeakPolarHBondContact O-CB 3.33Å; L30-L34 WeakPolarHBondContact O-CG 3.46Å; L30-L34 PolarHBondContact O-N 2.92Å; L31-L34 HydrophobicContact CD2-CD1 4.35Å; L31-L34 WeakPolarHBondContact O-CB 3.2Å; L31-L34 PolarHBondContact O-N 3.44Å; I32-L34 PolarHBondContact O-N 3.44Å; L34-F36 VanDerWaalsContact C-N 3.3Å; L34-F36 PolarHBondContact O-N 3.18Å; L34-V37 PolarHBondContact O-N 3.37Å; L34-F38 HydrophobicContact CD2-CD2 3.87Å; L34-F38 HydrophobicContact CD2-CE2 3.87Å; L34-F38 WeakPolarHBondContact O-CB 3.28Å; L34-F38 PolarHBondContact O-N 2.88Å; L34-A42 HydrophobicContact CB-CB 4.44Å; L34-L111 HydrophobicContact CD1-CD2 4Å; L34-L111 HydrophobicContact CD2-CD2 3.94Å
35K97.1Very high96.8Very high102 Ų10265.6 Ų65.644%0.44335%0.348SS..Hα-helixtrans-61.9-39.3177.3179.159.6175.9-172.70111.9L31 I32 A33 G39L31-K35 WeakPolarHBondContact O-CB 3.35Å; L31-K35 PolarHBondContact O-N 2.98Å; I32-K35 WeakPolarHBondContact O-CB 3.33Å; I32-K35 PolarHBondContact O-N 2.92Å; A33-K35 VanDerWaalsContact C-N 3.34Å; A33-K35 PolarHBondContact O-N 3.46Å; K35-G39 WeakPolarHBondContact CD-O 3.39Å; K35-G39 WeakPolarHBondContact O-CA 3.46Å; K35-G39 PolarHBondContact O-N 3.19Å
36F96.8Very high97Very high183 Ų18360.2 Ų60.280%0.80332%0.324SS*.Hα-helixtrans-66.9-47.8177.9-179.6-98000112I32 A33 L34I32-F36 WeakPolarHBondContact O-CB 3.1Å; I32-F36 PolarHBondContact O-N 3.05Å; A33-F36 PolarHBondContact O-N 2.91Å; L34-F36 VanDerWaalsContact C-N 3.3Å; L34-F36 PolarHBondContact O-N 3.18Å
37V97.3Very high97Very high30 Ų3062.4 Ų62.418%0.18234%0.336CS..Hα-helixtrans-74.2-41.5-175.5174.40000112.5V8 A9 L12 A33 L34 L101V8-V37 HydrophobicContact CG2-CG2 4.14Å; A9-V37 HydrophobicContact CB-CG1 4.13Å; L12-V37 HydrophobicContact CD2-CB 4.4Å; L12-V37 HydrophobicContact CD2-CG2 4.22Å; A33-V37 WeakPolarHBondContact O-CG2 3.49Å; A33-V37 PolarHBondContact O-N 2.91Å; L34-V37 PolarHBondContact O-N 3.37Å; V37-L101 HydrophobicContact CG1-CD1 3.91Å
38F96.9Very high97.1Very high13 Ų1360.1 Ų60.16%0.05732%0.32CS..Hα-helixtrans-107.6-5.8-172.8-60.8-75.9000113.9A9 L12 F13 L34 C41 A42 L101 L102 L107A9-F38 HydrophobicContact CB-CE1 4.29Å; A9-F38 HydrophobicContact CB-CZ 3.74Å; L12-F38 HydrophobicContact CD2-CE2 4.22Å; F13-F38 HydrophobicContact CE1-CE2 4.26Å; F13-F38 HydrophobicContact CE1-CZ 4.3Å; F13-F38 HydrophobicContact CE2-CE2 4.49Å; F13-F38 AromaticContact CE2-CZ 3.82Å; F13-F38 HydrophobicContact CE2-CZ 3.82Å; F13-F38 HydrophobicContact CZ-CE1 4.31Å; F13-F38 AromaticContact CZ-CE2 3.82Å; F13-F38 HydrophobicContact CZ-CE2 3.82Å; F13-F38 AromaticContact CZ-CZ 3.42Å; F13-F38 HydrophobicContact CZ-CZ 3.42Å; F13-F38 VanDerWaalsContact CZ-CZ 3.42Å; L34-F38 HydrophobicContact CD2-CD2 3.87Å; L34-F38 HydrophobicContact CD2-CE2 3.87Å; L34-F38 WeakPolarHBondContact O-CB 3.28Å; L34-F38 PolarHBondContact O-N 2.88Å; F38-C41 PolarHBondContact O-SG 3.47Å; F38-A42 HydrophobicContact CB-CB 4.3Å; F38-L101 HydrophobicContact CD1-CB 4.38Å; F38-L101 HydrophobicContact CD1-CD1 4.43Å; F38-L101 HydrophobicContact CE1-CB 4.35Å; F38-L101 HydrophobicContact CE1-CD1 4.17Å; F38-L102 HydrophobicContact CE1-CD1 3.94Å; F38-L102 HydrophobicContact CE1-CG 4.41Å; F38-L107 HydrophobicContact CB-CD2 3.65Å; F38-L107 HydrophobicContact CD1-CD1 4.03Å; F38-L107 HydrophobicContact CD1-CD2 4.18Å; F38-L107 HydrophobicContact CD2-CD1 3.82Å; F38-L107 HydrophobicContact CD2-CD2 4.14Å; F38-L107 HydrophobicContact CE1-CD1 4Å; F38-L107 HydrophobicContact CE2-CD1 3.78Å; F38-L107 HydrophobicContact CG-CD1 3.94Å; F38-L107 HydrophobicContact CG-CD2 3.73Å; F38-L107 HydrophobicContact CG-CG 4.49Å; F38-L107 HydrophobicContact CZ-CD1 3.87Å
39G95.7Very high97.1Very high28 Ų2854.6 Ų54.629%0.28929%0.291SS..THydrogen-bonded Turntrans66.6-141176.100000113.2K35 C41 A42K35-G39 WeakPolarHBondContact CD-O 3.39Å; K35-G39 WeakPolarHBondContact O-CA 3.46Å; K35-G39 PolarHBondContact O-N 3.19Å; G39-C41 VanDerWaalsContact C-N 3.26Å; G39-C41 PolarHBondContact O-N 3.42Å; G39-A42 WeakPolarHBondContact O-CB 3.45Å; G39-A42 PolarHBondContact O-N 3.41Å
40T92.4Very high97.1Very high110 Ų11054.2 Ų54.268%0.67529%0.289SS*.THydrogen-bonded Turntrans-67.5-21.5-173.252.50000114.4A42T40-A42 VanDerWaalsContact C-N 3.26Å; T40-A42 PolarHBondContact O-N 3.32Å
41C95.9Very high97Very high18 Ų1858.7 Ų58.712%0.12231%0.309CS..Hα-helixtrans-75.9-14179.575.50000113.4F38 G39 Q44 A45 K104F38-C41 PolarHBondContact O-SG 3.47Å; G39-C41 VanDerWaalsContact C-N 3.26Å; G39-C41 PolarHBondContact O-N 3.42Å; C41-Q44 PolarHBondContact O-N 2.95Å; C41-A45 WeakPolarHBondContact O-CB 3.44Å; C41-A45 PolarHBondContact O-N 3.28Å; C41-K104 HydrophobicContact CB-CB 4.08Å
42A97.8Very high97Very high4 Ų462 Ų623%0.03332%0.318CS..Hα-helixtrans-59.7-53.4-179.300000112.9L34 F38 G39 T40 Q44 A45 L46 L107L34-A42 HydrophobicContact CB-CB 4.44Å; F38-A42 HydrophobicContact CB-CB 4.3Å; G39-A42 WeakPolarHBondContact O-CB 3.45Å; G39-A42 PolarHBondContact O-N 3.41Å; T40-A42 VanDerWaalsContact C-N 3.26Å; T40-A42 PolarHBondContact O-N 3.32Å; A42-Q44 VanDerWaalsContact C-N 3.32Å; A42-Q44 PolarHBondContact O-N 3.02Å; A42-A45 WeakPolarHBondContact O-CB 3.36Å; A42-A45 PolarHBondContact O-N 3.24Å; A42-A45 VanDerWaalsContact O-N 3.11Å; A42-L46 PolarHBondContact O-N 3.11Å; A42-L107 HydrophobicContact CB-CD2 4.4Å
43L96.7Very high97Very high110 Ų11057.4 Ų57.458%0.57630%0.295SS*.Hα-helixtrans-59.8-45.5179.3-17962.8000111.2A45 L46 D47L43-A45 PolarHBondContact O-N 3.13Å; L43-L46 WeakPolarHBondContact O-CB 3.34Å; L43-L46 PolarHBondContact O-N 2.92Å; L43-L46 VanDerWaalsContact O-N 3.13Å; L43-D47 VanDerWaalsContact O-CG 3.3Å; L43-D47 PolarHBondContact O-N 3.13Å
44Q97.6Very high97Very high86 Ų8656 Ų5640%0.40228%0.283SS..Hα-helixtrans-66.1-24.9179.6-56.2174.7-31.600113C41 A42 L48 K104C41-Q44 PolarHBondContact O-N 2.95Å; A42-Q44 VanDerWaalsContact C-N 3.32Å; A42-Q44 PolarHBondContact O-N 3.02Å; Q44-L48 WeakPolarHBondContact O-CG 3.37Å; Q44-K104 HydrophobicContact CB-CB 4.06Å; Q44-K104 HydrophobicContact CB-CD 3.56Å; Q44-K104 HydrophobicContact CB-CG 4.49Å; Q44-K104 HydrophobicContact CG-CD 4.46Å
45A98.4Very high97.1Very high0 Ų057.1 Ų57.10%029%0.29CS..Hα-helixtrans-76.6-42.8173.800000110.6C41 A42 L43 D47 L48 V49 K104 L107 A108 L111C41-A45 WeakPolarHBondContact O-CB 3.44Å; C41-A45 PolarHBondContact O-N 3.28Å; A42-A45 WeakPolarHBondContact O-CB 3.36Å; A42-A45 PolarHBondContact O-N 3.24Å; A42-A45 VanDerWaalsContact O-N 3.11Å; L43-A45 PolarHBondContact O-N 3.13Å; A45-D47 VanDerWaalsContact C-N 3.31Å; A45-D47 PolarHBondContact O-N 2.9Å; A45-L48 WeakPolarHBondContact O-CB 3.34Å; A45-L48 PolarHBondContact O-N 3.38Å; A45-L48 VanDerWaalsContact O-N 3.09Å; A45-V49 WeakPolarHBondContact O-CG2 3.47Å; A45-V49 PolarHBondContact O-N 3.43Å; A45-V49 VanDerWaalsContact O-N 3.08Å; A45-K104 HydrophobicContact CB-CB 4.28Å; A45-K104 WeakPolarHBondContact CB-O 3.45Å; A45-L107 HydrophobicContact CB-CB 3.85Å; A45-L107 HydrophobicContact CB-CD2 3.71Å; A45-L107 HydrophobicContact CB-CG 3.6Å; A45-A108 HydrophobicContact CB-CB 4.17Å; A45-L111 HydrophobicContact CB-CD1 4.04Å
46L97.9Very high97.1Very high28 Ų2852.4 Ų52.415%0.14727%0.27CS..Hα-helixtrans-58.8-42.4173.3-69.3164.8000111.3I26 L31 A42 L43 L48 V49 D50 L111I26-L46 HydrophobicContact CD1-CD2 4.04Å; L31-L46 HydrophobicContact CD2-CD1 3.75Å; L31-L46 HydrophobicContact CD2-CD2 4.47Å; A42-L46 PolarHBondContact O-N 3.11Å; L43-L46 WeakPolarHBondContact O-CB 3.34Å; L43-L46 PolarHBondContact O-N 2.92Å; L43-L46 VanDerWaalsContact O-N 3.13Å; L46-L48 PolarHBondContact O-N 2.98Å; L46-V49 WeakPolarHBondContact O-CA 3.38Å; L46-V49 WeakPolarHBondContact O-CB 3.43Å; L46-V49 PolarHBondContact O-N 3.2Å; L46-D50 PolarHBondContact O-N 2.93Å; L46-L111 HydrophobicContact CD2-CD1 3.95Å; L46-L111 HydrophobicContact CG-CD1 4.22Å
47D97.3Very high97.2Very high72 Ų7244 Ų4439%0.38523%0.234SC..Hα-helixtrans-55.4-38.7174.2-64-27.5000112.3L43 A45 Q51L43-D47 VanDerWaalsContact O-CG 3.3Å; L43-D47 PolarHBondContact O-N 3.13Å; A45-D47 VanDerWaalsContact C-N 3.31Å; A45-D47 PolarHBondContact O-N 2.9Å; D47-Q51 WeakPolarHBondContact O-CB 3.36Å; D47-Q51 WeakPolarHBondContact O-CG 3.46Å; D47-Q51 PolarHBondContact O-N 3.25Å; D47-Q51 VanDerWaalsContact O-N 3.07Å
48L98.2Very high97.2Very high4 Ų444 Ų442%0.02124%0.235CC..Hα-helixtrans-71.8-33.3177.5-66.5171.5000112.3Q44 A45 L46 R52 S53 V68 I69 K104 A108Q44-L48 WeakPolarHBondContact O-CG 3.37Å; A45-L48 WeakPolarHBondContact O-CB 3.34Å; A45-L48 PolarHBondContact O-N 3.38Å; A45-L48 VanDerWaalsContact O-N 3.09Å; L46-L48 PolarHBondContact O-N 2.98Å; L48-R52 PolarHBondContact O-N 2.95Å; L48-S53 WeakPolarHBondContact O-CB 3.49Å; L48-S53 PolarHBondContact O-N 3.19Å; L48-V68 HydrophobicContact CD1-CG1 4.1Å; L48-I69 VanDerWaalsContact CD2-O 3.3Å; L48-I69 WeakPolarHBondContact CD2-O 3.42Å; L48-K104 HydrophobicContact CD1-CD 4.3Å; L48-K104 HydrophobicContact CD1-CG 4.24Å; L48-A108 HydrophobicContact CB-CB 3.87Å; L48-A108 HydrophobicContact CD1-CB 4.05Å
49V97.6Very high97.2Very high4 Ų443.9 Ų43.92%0.02424%0.235CC..Hα-helixtrans-64.5-48.4173.9178.20000109.7A45 L46 Q51 R52 A108 L111 M115 V117A45-V49 WeakPolarHBondContact O-CG2 3.47Å; A45-V49 PolarHBondContact O-N 3.43Å; A45-V49 VanDerWaalsContact O-N 3.08Å; L46-V49 WeakPolarHBondContact O-CA 3.38Å; L46-V49 WeakPolarHBondContact O-CB 3.43Å; L46-V49 PolarHBondContact O-N 3.2Å; V49-Q51 VanDerWaalsContact C-N 3.28Å; V49-Q51 PolarHBondContact O-N 3.1Å; V49-R52 WeakPolarHBondContact O-CA 3.46Å; V49-R52 PolarHBondContact O-N 2.88Å; V49-A108 HydrophobicContact CG2-CB 4.47Å; V49-L111 HydrophobicContact CG2-CB 3.71Å; V49-L111 HydrophobicContact CG2-CD1 4.34Å; V49-M115 HydrophobicContact CG1-CE 3.81Å; V49-M115 HydrophobicContact CG1-SD 3.82Å; V49-V117 HydrophobicContact CG1-CG2 3.85Å
50D96.2Very high97.3Very high121 Ų12147.7 Ų47.765%0.64726%0.255SS*.Hα-helixtrans-61.5-39.1-180-69.7-18.4000111.6L46 R52L46-D50 PolarHBondContact O-N 2.93Å; D50-R52 PolarHBondContact O-N 3.12Å
51Q96.8Very high97.4Very high117 Ų11745.6 Ų45.655%0.54725%0.245SC..THydrogen-bonded Turntrans-74.43.1174.4-68.716927.500113.8D47 V49 S53D47-Q51 WeakPolarHBondContact O-CB 3.36Å; D47-Q51 WeakPolarHBondContact O-CG 3.46Å; D47-Q51 PolarHBondContact O-N 3.25Å; D47-Q51 VanDerWaalsContact O-N 3.07Å; V49-Q51 VanDerWaalsContact C-N 3.28Å; V49-Q51 PolarHBondContact O-N 3.1Å; Q51-S53 WeakPolarHBondContact CB-OG 3.35Å; Q51-S53 PolarHBondContact O-N 3.23Å; Q51-S53 VanDerWaalsContact O-N 3.11Å; Q51-S53 PolarHBondContact O-OG 3.28Å
52R97.1Very high97.3Very high130 Ų13047.5 Ų47.549%0.49127%0.268SS..THydrogen-bonded Turntrans50.836.1-176.6-60.5-63.7-174.4134.4-1.3112.8L48 V49 D50 V54 V117 Q119L48-R52 PolarHBondContact O-N 2.95Å; V49-R52 WeakPolarHBondContact O-CA 3.46Å; V49-R52 PolarHBondContact O-N 2.88Å; D50-R52 PolarHBondContact O-N 3.12Å; R52-V54 PolarHBondContact O-N 2.94Å; R52-V117 VanDerWaalsContact NH1-CB 3.35Å; R52-V117 PolarHBondContact NH1-O 3.28Å; R52-Q119 PolarHBondContact O-NE2 3.06Å
53S97.9Very high97.1Very high13 Ų1353.7 Ų53.79%0.09129%0.29CS..  trans-80.75.2-168.9-67.40000114.9L48 Q51 V68 I69L48-S53 WeakPolarHBondContact O-CB 3.49Å; L48-S53 PolarHBondContact O-N 3.19Å; Q51-S53 WeakPolarHBondContact CB-OG 3.35Å; Q51-S53 PolarHBondContact O-N 3.23Å; Q51-S53 VanDerWaalsContact O-N 3.11Å; Q51-S53 PolarHBondContact O-OG 3.28Å; S53-V68 VanDerWaalsContact O-CA 3.29Å; S53-V68 WeakPolarHBondContact O-CA 3.4Å; S53-I69 WeakPolarHBondContact CB-O 3.43Å; S53-I69 PolarHBondContact O-N 3.46Å
54V98.5Very high97.1Very high1 Ų154.4 Ų54.41%0.00629%0.289CS..EExtended strand (participates in β ladder)trans-111.6123.7-175.1-175.90000111.5R52 F66 Q67 V68 A108 V109 C112 T118 Q119R52-V54 PolarHBondContact O-N 2.94Å; V54-F66 HydrophobicContact CG1-CD1 4.49Å; V54-Q67 WeakPolarHBondContact CA-O 3.35Å; V54-V68 HydrophobicContact CG1-CG2 4.43Å; V54-V68 HydrophobicContact CG2-CG1 4.25Å; V54-V68 HydrophobicContact CG2-CG2 4.18Å; V54-A108 HydrophobicContact CG2-CB 4.15Å; V54-V109 HydrophobicContact CG1-CB 4.39Å; V54-V109 HydrophobicContact CG1-CG1 4.47Å; V54-V109 HydrophobicContact CG1-CG2 3.85Å; V54-C112 HydrophobicContact CB-CB 4.25Å; V54-C112 HydrophobicContact CG1-CB 4.4Å; V54-C112 HydrophobicContact CG2-CB 4.41Å; V54-C112 VanDerWaalsContact CG2-SG 3.59Å; V54-T118 HydrophobicContact CG1-CG2 4.18Å; V54-Q119 PolarHBondContact O-N 2.84Å; V54-Q119 VanDerWaalsContact O-N 3.16Å
55T98.5Very high97.1Very high26 Ų2650.3 Ų50.316%0.1627%0.27CS..EExtended strand (participates in β ladder)trans-119.9127.3173.4-53.80000110.6L57 F66 Q67 Q119 E121T55-L57 HydrophobicContact CG2-CD2 4.18Å; T55-F66 CarbonylContact O-C 3.59Å; T55-F66 WeakPolarHBondContact O-CA 3.35Å; T55-Q67 PolarHBondContact N-O 2.89Å; T55-Q67 PolarHBondContact O-N 3.23Å; T55-Q119 CarbonylContact C-O 3.6Å; T55-Q119 WeakPolarHBondContact CA-O 3.06Å; T55-Q119 HydrophobicContact CG2-CB 4.3Å; T55-E121 HydrophobicContact CG2-CB 3.93Å
56C98.2Very high97.1Very high3 Ų350.8 Ų50.82%0.0227%0.272CS..EExtended strand (participates in β ladder)trans-90.4113170.8176.80000109.3F66 T118 Q119 E121C56-F66 HydrophobicContact CB-CD1 3.86Å; C56-F66 HydrophobicContact CB-CE1 3.67Å; C56-T118 HydrophobicContact CB-CG2 3.66Å; C56-Q119 PolarHBondContact N-O 2.78Å; C56-E121 PolarHBondContact O-N 2.83Å
57L98.1Very high97.1Very high6 Ų651.5 Ų51.53%0.03127%0.274CS..EExtended strand (participates in β ladder)trans-83.7127.5169.2-54.9-176.4000108.6T55 K64 A65 Q67 E121 I123 M128 V131T55-L57 HydrophobicContact CG2-CD2 4.18Å; L57-K64 VanDerWaalsContact O-CA 3.25Å; L57-K64 WeakPolarHBondContact O-CA 3.41Å; L57-A65 PolarHBondContact N-O 3.08Å; L57-A65 PolarHBondContact O-N 3.42Å; L57-Q67 HydrophobicContact CD1-CG 3.92Å; L57-Q67 HydrophobicContact CG-CG 4.35Å; L57-E121 WeakPolarHBondContact CA-O 3.39Å; L57-E121 HydrophobicContact CD2-CB 3.85Å; L57-E121 HydrophobicContact CD2-CG 4.22Å; L57-E121 WeakPolarHBondContact CD2-OE2 3.47Å; L57-I123 HydrophobicContact CB-CD1 4.09Å; L57-I123 HydrophobicContact CD1-CD1 4.2Å; L57-I123 HydrophobicContact CD2-CG2 4.45Å; L57-M128 HydrophobicContact CB-CE 4.24Å; L57-V131 HydrophobicContact CD1-CG1 4.14Å; L57-V131 HydrophobicContact CD1-CG2 4.1Å
58S97.3Very high97.1Very high30 Ų3048 Ų4821%0.2126%0.256CS..EExtended strand (participates in β ladder)trans-128.2143.9177.359.90000110.6E121 S122 I123S58-E121 PolarHBondContact N-O 3.13Å; S58-E121 PolarHBondContact OG-O 3.03Å; S58-S122 CarbonylContact O-C 3.55Å; S58-S122 WeakPolarHBondContact O-CA 3.17Å; S58-I123 PolarHBondContact O-N 3.28Å
59S97.4Very high97.1Very high10 Ų1051.8 Ų51.87%0.0728%0.275CS..  trans-124.8160.6175.779.50000112.4S61 G62 R63 I123 D125S59-S61 PolarHBondContact O-N 3.32Å; S59-S61 VanDerWaalsContact O-N 3.16Å; S59-S61 PolarHBondContact OG-OG 2.95Å; S59-S61 VanDerWaalsContact OG-OG 3.08Å; S59-G62 PolarHBondContact O-N 3.24Å; S59-R63 PolarHBondContact N-O 2.93Å; S59-R63 VanDerWaalsContact N-O 3.11Å; S59-I123 VanDerWaalsContact CA-O 3.29Å; S59-I123 WeakPolarHBondContact CA-O 3.17Å; S59-I123 VanDerWaalsContact CB-O 3.3Å; S59-I123 WeakPolarHBondContact CB-O 3.49Å; S59-D125 WeakPolarHBondContact CB-OD1 3.3Å; S59-D125 PolarHBondContact OG-OD1 2.58Å
60P96.9Very high97Very high108 Ų10851.8 Ų51.870%0.70128%0.276SS*.THydrogen-bonded Turntrans-57.7-28.1-178.1-27.436.1000114.5G62 I123P60-G62 PolarHBondContact O-N 3.31Å; P60-I123 WeakPolarHBondContact CD-O 3.2Å
61S95.3Very high96.6Very high67 Ų6749 Ų4947%0.46928%0.276SS..THydrogen-bonded Turntrans-70-1.6172.962.30000114.7S59 R63 D125S59-S61 PolarHBondContact O-N 3.32Å; S59-S61 VanDerWaalsContact O-N 3.16Å; S59-S61 PolarHBondContact OG-OG 2.95Å; S59-S61 VanDerWaalsContact OG-OG 3.08Å; S61-R63 VanDerWaalsContact C-N 3.32Å; S61-D125 WeakPolarHBondContact CB-OD1 3.36Å; S61-D125 PolarHBondContact N-OD1 2.63Å; S61-D125 PolarHBondContact OG-OD1 3.21Å
62G93.5Very high96.4Very high58 Ų5848.1 Ų48.160%0.59828%0.283SS*.SBendtrans83.64.2-179.700000114.2S59 P60S59-G62 PolarHBondContact O-N 3.24Å; P60-G62 PolarHBondContact O-N 3.31Å
63R94.6Very high96.3Very high133 Ų13344.7 Ų44.750%0.50229%0.288SS..  trans-68.8144.4173.8-74.2172.5153176-4.8110.5S59 S61 M128 L132S59-R63 PolarHBondContact N-O 2.93Å; S59-R63 VanDerWaalsContact N-O 3.11Å; S61-R63 VanDerWaalsContact C-N 3.32Å; R63-M128 HydrophobicContact CB-CE 4.28Å; R63-M128 HydrophobicContact CB-CG 3.87Å; R63-M128 HydrophobicContact CB-SD 4.33Å; R63-M128 WeakPolarHBondContact O-CE 3.35Å; R63-L132 HydrophobicContact CB-CD1 4.4Å; R63-L132 HydrophobicContact CG-CD1 4.29Å
64K95.4Very high96.2Very high125 Ų12551.5 Ų51.554%0.54331%0.311SS..EExtended strand (participates in β ladder)trans-136.4140.2177.6-64.1-173.4179.8-1730111.5L57L57-K64 VanDerWaalsContact O-CA 3.25Å; L57-K64 WeakPolarHBondContact O-CA 3.41Å
65A97.3Very high96.2Very high0 Ų055.6 Ų55.60%033%0.333CS..EExtended strand (participates in β ladder)trans-136.9154.4170.100000109L57 T77 F79 M128 V131L57-A65 PolarHBondContact N-O 3.08Å; L57-A65 PolarHBondContact O-N 3.42Å; A65-T77 HydrophobicContact CB-CG2 4.25Å; A65-F79 HydrophobicContact CB-CD1 4.24Å; A65-F79 HydrophobicContact CB-CE1 3.94Å; A65-M128 HydrophobicContact CB-SD 4.3Å; A65-V131 HydrophobicContact CB-CG1 3.76Å
66F98.2Very high96.2Very high10 Ų1055.5 Ų55.54%0.04433%0.33CS..EExtended strand (participates in β ladder)trans-119.6122.1-177.9-64.7-94.3000110V54 T55 C56 T77 C78 L80 V109 Q113V54-F66 HydrophobicContact CG1-CD1 4.49Å; T55-F66 CarbonylContact O-C 3.59Å; T55-F66 WeakPolarHBondContact O-CA 3.35Å; C56-F66 HydrophobicContact CB-CD1 3.86Å; C56-F66 HydrophobicContact CB-CE1 3.67Å; F66-T77 CarbonylContact O-C 3.54Å; F66-T77 WeakPolarHBondContact O-CA 3.4Å; F66-C78 HydrophobicContact CB-CB 4.38Å; F66-C78 PolarHBondContact N-O 3.09Å; F66-C78 PolarHBondContact O-N 3.34Å; F66-L80 HydrophobicContact CD2-CD1 3.66Å; F66-L80 HydrophobicContact CD2-CD2 4.5Å; F66-L80 HydrophobicContact CD2-CG 4.43Å; F66-L80 HydrophobicContact CE2-CB 4.18Å; F66-L80 HydrophobicContact CE2-CD1 3.99Å; F66-L80 HydrophobicContact CE2-CD2 4.02Å; F66-L80 HydrophobicContact CE2-CG 4.28Å; F66-L80 HydrophobicContact CG-CD1 4.18Å; F66-L80 HydrophobicContact CZ-CD2 4.22Å; F66-V109 HydrophobicContact CB-CG1 4.09Å; F66-V109 HydrophobicContact CB-CG2 3.77Å; F66-V109 HydrophobicContact CD1-CB 4.48Å; F66-V109 HydrophobicContact CD1-CG1 3.29Å; F66-V109 HydrophobicContact CD1-CG2 4.35Å; F66-V109 HydrophobicContact CD2-CG1 4.13Å; F66-V109 HydrophobicContact CE1-CG1 3.59Å; F66-V109 HydrophobicContact CE2-CG1 4.39Å; F66-V109 HydrophobicContact CG-CG1 3.57Å; F66-V109 HydrophobicContact CG-CG2 4.2Å; F66-V109 HydrophobicContact CZ-CG1 4.13Å; F66-Q113 HydrophobicContact CE1-CG 4.46Å
67Q98.2Very high96.2Very high43 Ų4357 Ų5720%0.20134%0.339CS..EExtended strand (participates in β ladder)trans-98.3129.7174.8-76.5-173.4-24.800109.6V54 T55 L57 L75 Y76V54-Q67 WeakPolarHBondContact CA-O 3.35Å; T55-Q67 PolarHBondContact N-O 2.89Å; T55-Q67 PolarHBondContact O-N 3.23Å; L57-Q67 HydrophobicContact CD1-CG 3.92Å; L57-Q67 HydrophobicContact CG-CG 4.35Å; Q67-L75 HydrophobicContact CB-CD1 3.95Å; Q67-L75 HydrophobicContact CG-CD1 4.45Å; Q67-Y76 WeakPolarHBondContact CA-O 3.17Å
68V98.5Very high96.2Very high0 Ų056.7 Ų56.70%034%0.337CS..EExtended strand (participates in β ladder)trans-125.6119.8-179.8-171.30000109.3L48 S53 V54 G70 Y76 H105 V109L48-V68 HydrophobicContact CD1-CG1 4.1Å; S53-V68 VanDerWaalsContact O-CA 3.29Å; S53-V68 WeakPolarHBondContact O-CA 3.4Å; V54-V68 HydrophobicContact CG1-CG2 4.43Å; V54-V68 HydrophobicContact CG2-CG1 4.25Å; V54-V68 HydrophobicContact CG2-CG2 4.18Å; V68-G70 PolarHBondContact O-N 3.14Å; V68-Y76 PolarHBondContact N-O 3.1Å; V68-Y76 PolarHBondContact O-N 2.95Å; V68-H105 HydrophobicContact CB-CB 4.23Å; V68-H105 HydrophobicContact CG1-CB 4.17Å; V68-H105 HydrophobicContact CG2-CB 4.33Å; V68-V109 HydrophobicContact CG2-CG2 3.7Å
69I98Very high96.1Very high83 Ų8357 Ų5743%0.42634%0.335SS..EExtended strand (participates in β ladder)trans-80109.7171.3-58.4174.3000107.3L48 S53 L75L48-I69 VanDerWaalsContact CD2-O 3.3Å; L48-I69 WeakPolarHBondContact CD2-O 3.42Å; S53-I69 WeakPolarHBondContact CB-O 3.43Å; S53-I69 PolarHBondContact O-N 3.46Å; I69-L75 HydrophobicContact CG1-CD1 3.8Å
70G94.9Very high95.9Very high4 Ų457.7 Ų57.74%0.04134%0.338CS..  trans-72.1164.1176.800000111.7V68 S72 G73 R74V68-G70 PolarHBondContact O-N 3.14Å; G70-S72 PolarHBondContact O-N 3.4Å; G70-G73 WeakPolarHBondContact O-CA 3.3Å; G70-G73 PolarHBondContact O-N 3.31Å; G70-R74 PolarHBondContact N-O 3.49Å
71G89.1Confident95.6Very high63 Ų6356.9 Ų56.965%0.64934%0.335SS*.THydrogen-bonded Turntrans-58.9-10.4-178.800000116.4G73G71-G73 VanDerWaalsContact C-N 3.34Å
72S91.8Very high95.4Very high98 Ų9856.8 Ų56.869%0.68533%0.333SS*.THydrogen-bonded Turntrans-90.16.6170.5750000113.7G70 R74G70-S72 PolarHBondContact O-N 3.4Å; S72-R74 PolarHBondContact O-N 3.44Å; S72-R74 WeakPolarHBondContact OG-CB 3.37Å; S72-R74 PolarHBondContact OG-N 3.08Å
73G94.3Very high95.4Very high58 Ų5855 Ų5560%0.59831%0.309SS*.SBendtrans75.4-1.2-170.200000114.8G70 G71G70-G73 WeakPolarHBondContact O-CA 3.3Å; G70-G73 PolarHBondContact O-N 3.31Å; G71-G73 VanDerWaalsContact C-N 3.34Å
74R97.1Very high95.5Very high155 Ų15553.2 Ų53.259%0.58530%0.303SS*.  trans-77.2132-179.2-177.6170.4178173.12.6110.8G70 S72 Y76G70-R74 PolarHBondContact N-O 3.49Å; S72-R74 PolarHBondContact O-N 3.44Å; S72-R74 WeakPolarHBondContact OG-CB 3.37Å; S72-R74 PolarHBondContact OG-N 3.08Å; R74-Y76 HydrophobicContact CB-CE2 4.03Å; R74-Y76 HydrophobicContact CG-CE1 4.4Å; R74-Y76 HydrophobicContact CG-CE2 4.12Å; R74-Y76 VanDerWaalsContact O-CD2 3.29Å; R74-Y76 WeakPolarHBondContact O-CD2 3.25Å; R74-Y76 WeakPolarHBondContact O-CE2 3.4Å
75L97.6Very high95.6Very high87 Ų8747.2 Ų47.246%0.45528%0.277SS..EExtended strand (participates in β ladder)trans-79.2132.7175.3-166.766.8000111.6Q67 I69Q67-L75 HydrophobicContact CB-CD1 3.95Å; Q67-L75 HydrophobicContact CG-CD1 4.45Å; I69-L75 HydrophobicContact CG1-CD1 3.8Å
76Y98.3Very high95.6Very high24 Ų2450 Ų509%0.09430%0.295CS..EExtended strand (participates in β ladder)trans-122.9120.4174.6-62.8-83.4000110.6Q67 V68 R74 P86 C87 H105Q67-Y76 WeakPolarHBondContact CA-O 3.17Å; V68-Y76 PolarHBondContact N-O 3.1Å; V68-Y76 PolarHBondContact O-N 2.95Å; R74-Y76 HydrophobicContact CB-CE2 4.03Å; R74-Y76 HydrophobicContact CG-CE1 4.4Å; R74-Y76 HydrophobicContact CG-CE2 4.12Å; R74-Y76 VanDerWaalsContact O-CD2 3.29Å; R74-Y76 WeakPolarHBondContact O-CD2 3.25Å; R74-Y76 WeakPolarHBondContact O-CE2 3.4Å; Y76-P86 HydrophobicContact CD1-CG 4.36Å; Y76-C87 HydrophobicContact CD1-CB 3.73Å; Y76-C87 HydrophobicContact CE1-CB 3.52Å; Y76-C87 HydrophobicContact CG-CB 4.47Å; Y76-H105 AromaticContact CD2-CE1 3.67Å; Y76-H105 AromaticContact CD2-NE2 3.62Å; Y76-H105 AromaticContact CE2-CE1 3.61Å; Y76-H105 AromaticContact CE2-NE2 3.62Å
77T98.1Very high95.6Very high34 Ų3449.5 Ų49.521%0.20929%0.293CS..EExtended strand (participates in β ladder)trans-85.3119.1170.1-52.20000109.6A65 F66 F79 P86 V131A65-T77 HydrophobicContact CB-CG2 4.25Å; F66-T77 CarbonylContact O-C 3.54Å; F66-T77 WeakPolarHBondContact O-CA 3.4Å; T77-F79 HydrophobicContact CG2-CE1 3.72Å; T77-F79 HydrophobicContact CG2-CE2 4.48Å; T77-F79 HydrophobicContact CG2-CZ 3.65Å; T77-P86 WeakPolarHBondContact O-CD 3.26Å; T77-V131 HydrophobicContact CG2-CG1 3.57Å
78C97.9Very high95.5Very high0 Ų051.8 Ų51.80%031%0.311CS..EExtended strand (participates in β ladder)trans-113144.7-176.7-55.40000110.6F66 Y84 C85F66-C78 HydrophobicContact CB-CB 4.38Å; F66-C78 PolarHBondContact N-O 3.09Å; F66-C78 PolarHBondContact O-N 3.34Å; C78-Y84 WeakPolarHBondContact CA-O 3.46Å; C78-C85 VanDerWaalsContact SG-SG 3.61Å
79F95.7Very high95.4Very high38 Ų3854 Ų5417%0.16733%0.33CS..BIsolated β-bridgetrans-122.8106.8-179.3-54.3-62.5000110.4A65 T77 S81 H83 Y84 L132A65-F79 HydrophobicContact CB-CD1 4.24Å; A65-F79 HydrophobicContact CB-CE1 3.94Å; T77-F79 HydrophobicContact CG2-CE1 3.72Å; T77-F79 HydrophobicContact CG2-CE2 4.48Å; T77-F79 HydrophobicContact CG2-CZ 3.65Å; F79-S81 VanDerWaalsContact C-N 3.34Å; F79-S81 PolarHBondContact O-N 3.07Å; F79-H83 WeakPolarHBondContact O-CA 2.99Å; F79-H83 PolarHBondContact O-N 3.38Å; F79-Y84 AromaticContact CD2-CD1 3.73Å; F79-Y84 HydrophobicContact CD2-CD1 3.73Å; F79-Y84 HydrophobicContact CE2-CD1 4.2Å; F79-Y84 PolarHBondContact N-O 3.3Å; F79-Y84 PolarHBondContact O-N 3.46Å; F79-L132 HydrophobicContact CD1-CD2 4.04Å; F79-L132 HydrophobicContact CE1-CD2 3.57Å; F79-L132 HydrophobicContact CZ-CD2 4.37Å
80L92.9Very high95.3Very high23 Ų2350.6 Ų50.612%0.1231%0.312CS..G310 helixtrans-71.9-25.9-176.4-95.764.8000113.4F66 C82 H83 I106 V109 Y110F66-L80 HydrophobicContact CD2-CD1 3.66Å; F66-L80 HydrophobicContact CD2-CD2 4.5Å; F66-L80 HydrophobicContact CD2-CG 4.43Å; F66-L80 HydrophobicContact CE2-CB 4.18Å; F66-L80 HydrophobicContact CE2-CD1 3.99Å; F66-L80 HydrophobicContact CE2-CD2 4.02Å; F66-L80 HydrophobicContact CE2-CG 4.28Å; F66-L80 HydrophobicContact CG-CD1 4.18Å; F66-L80 HydrophobicContact CZ-CD2 4.22Å; L80-C82 PolarHBondContact O-N 3.19Å; L80-C82 VanDerWaalsContact O-N 3.11Å; L80-H83 PolarHBondContact O-CD2 3.23Å; L80-H83 PolarHBondContact O-N 3.33Å; L80-I106 HydrophobicContact CD1-CG2 4.39Å; L80-V109 HydrophobicContact CD1-CB 3.95Å; L80-V109 HydrophobicContact CD1-CG1 3.54Å; L80-V109 HydrophobicContact CD1-CG2 4.3Å; L80-V109 HydrophobicContact CD2-CG1 3.66Å; L80-V109 HydrophobicContact CG-CG1 4.24Å; L80-Y110 HydrophobicContact CD2-CD1 4.48Å; L80-Y110 HydrophobicContact CD2-CE1 4.11Å; L80-Y110 HydrophobicContact CD2-CE2 4.27Å; L80-Y110 HydrophobicContact CG-CE2 4.17Å
81S90.6Very high95.4Very high92 Ų9253 Ų5364%0.64333%0.326SS*.G310 helixtrans-59.3-25.4179.154.30000113.8T3 F79T3-S81 PolarHBondContact OG1-O 2.79Å; F79-S81 VanDerWaalsContact C-N 3.34Å; F79-S81 PolarHBondContact O-N 3.07Å
82C91.6Very high95.8Very high64 Ų6455.5 Ų55.543%0.43232%0.316SS..G310 helixtrans-129.111.117958.70000113.2T3 L80 Y84T3-C82 VanDerWaalsContact OG1-CA 3.28Å; T3-C82 WeakPolarHBondContact OG1-CA 3.36Å; L80-C82 PolarHBondContact O-N 3.19Å; L80-C82 VanDerWaalsContact O-N 3.11Å; C82-Y84 VanDerWaalsContact C-N 3.27Å; C82-Y84 PolarHBondContact O-N 2.91Å
83H94.1Very high95.9Very high22 Ų2253.2 Ų53.210%0.10230%0.298CS..THydrogen-bonded Turntrans47.345.1-174.3-50.7142.5000113.7T3 F79 L80 F90 L102 I106 Y110T3-H83 PolarHBondContact O-CE1 3.08Å; T3-H83 PolarHBondContact O-NE2 3.07Å; T3-H83 PolarHBondContact OG1-CE1 3.11Å; T3-H83 PolarHBondContact OG1-ND1 2.95Å; F79-H83 WeakPolarHBondContact O-CA 2.99Å; F79-H83 PolarHBondContact O-N 3.38Å; L80-H83 PolarHBondContact O-CD2 3.23Å; L80-H83 PolarHBondContact O-N 3.33Å; H83-F90 WeakPolarHBondContact O-CE2 3.34Å; H83-F90 WeakPolarHBondContact O-CZ 3.07Å; H83-L102 HydrophobicContact CB-CD2 4.05Å; H83-I106 WeakPolarHBondContact O-CD1 3.14Å; H83-Y110 PolarHBondContact CD2-OH 3.18Å; H83-Y110 PolarHBondContact NE2-OH 2.75Å
84Y95.6Very high95.9Very high94 Ų9451.3 Ų51.337%0.36928%0.275SS..BIsolated β-bridgetrans-99.7139.6-178.2178.1-96.2000112.7C78 F79 C82 P86 F90C78-Y84 WeakPolarHBondContact CA-O 3.46Å; F79-Y84 AromaticContact CD2-CD1 3.73Å; F79-Y84 HydrophobicContact CD2-CD1 3.73Å; F79-Y84 HydrophobicContact CE2-CD1 4.2Å; F79-Y84 PolarHBondContact N-O 3.3Å; F79-Y84 PolarHBondContact O-N 3.46Å; C82-Y84 VanDerWaalsContact C-N 3.27Å; C82-Y84 PolarHBondContact O-N 2.91Å; Y84-P86 HydrophobicContact CE1-CB 4.07Å; Y84-P86 HydrophobicContact CE1-CG 4.42Å; Y84-F90 HydrophobicContact CD2-CD1 4.35Å; Y84-F90 AromaticContact CD2-CE1 3.69Å; Y84-F90 HydrophobicContact CD2-CE1 3.69Å; Y84-F90 HydrophobicContact CD2-CZ 4.42Å; Y84-F90 HydrophobicContact CE2-CE1 4.2Å
85C97.8Very high95.7Very high0 Ų049.2 Ų49.20%028%0.275CS..  trans-142.5133.2167.3176.60000109.4C78 C87 F90 C103 I106C78-C85 VanDerWaalsContact SG-SG 3.61Å; C85-C87 PolarHBondContact O-N 3.14Å; C85-F90 HydrophobicContact CB-CB 4.27Å; C85-F90 HydrophobicContact CB-CD2 4.49Å; C85-F90 HydrophobicContact CB-CG 4.28Å; C85-F90 VanDerWaalsContact O-CB 3.29Å; C85-F90 WeakPolarHBondContact O-CB 3.28Å; C85-F90 WeakPolarHBondContact O-CD1 3.3Å; C85-F90 VanDerWaalsContact O-CG 3.28Å; C85-F90 WeakPolarHBondContact O-CG 3.47Å; C85-C103 VanDerWaalsContact CB-SG 3.56Å; C85-C103 VanDerWaalsContact SG-SG 3.69Å; C85-I106 HydrophobicContact CB-CD1 3.69Å; C85-I106 HydrophobicContact CB-CG1 3.69Å
86P97.1Very high95.6Very high57 Ų5754.5 Ų54.537%0.3729%0.289SS..  trans-75.36.5-178.630.4-35000113.7Y76 T77 Y84Y76-P86 HydrophobicContact CD1-CG 4.36Å; T77-P86 WeakPolarHBondContact O-CD 3.26Å; Y84-P86 HydrophobicContact CE1-CB 4.07Å; Y84-P86 HydrophobicContact CE1-CG 4.42Å
87C97.8Very high95.4Very high1 Ų159.9 Ų59.91%0.00731%0.309CS..SBendtrans-70.4151.5-177.277.50000112.6Y76 C85 A89 F90 T91 C103 H105Y76-C87 HydrophobicContact CD1-CB 3.73Å; Y76-C87 HydrophobicContact CE1-CB 3.52Å; Y76-C87 HydrophobicContact CG-CB 4.47Å; C85-C87 PolarHBondContact O-N 3.14Å; C87-A89 VanDerWaalsContact C-N 3.27Å; C87-A89 PolarHBondContact O-N 3.08Å; C87-F90 WeakPolarHBondContact O-CB 3.42Å; C87-F90 PolarHBondContact O-N 3.38Å; C87-F90 VanDerWaalsContact O-N 3.14Å; C87-F90 PolarHBondContact SG-N 2.85Å; C87-F90 VanDerWaalsContact SG-N 3.37Å; C87-T91 PolarHBondContact O-N 3.41Å; C87-C103 VanDerWaalsContact SG-SG 3.6Å; C87-H105 PolarHBondContact SG-ND1 3.3Å
88P96.7Very high95.1Very high90 Ų9065 Ų6558%0.58434%0.335SS*.Hα-helixtrans-57.3-38179.7-26.835.1000113.7F90 T91 Y92P88-F90 VanDerWaalsContact C-N 3.34Å; P88-F90 PolarHBondContact O-N 3.3Å; P88-T91 PolarHBondContact O-N 2.84Å; P88-Y92 WeakPolarHBondContact O-CB 3.36Å; P88-Y92 PolarHBondContact O-N 3.46Å
89A96.1Very high94.8Very high47 Ų4771.7 Ų71.739%0.38837%0.367SS..Hα-helixtrans-64.5-36.8179.700000112.5C87 T93C87-A89 VanDerWaalsContact C-N 3.27Å; C87-A89 PolarHBondContact O-N 3.08Å; A89-T93 WeakPolarHBondContact O-CA 3.37Å; A89-T93 WeakPolarHBondContact O-CB 3.48Å; A89-T93 PolarHBondContact O-N 3.5Å; A89-T93 PolarHBondContact O-OG1 3.16Å
90F97.1Very high94.6Very high11 Ų1171 Ų715%0.04837%0.37CS..Iπ-helixtrans-64.2-49.5174.4-178.5-100.4000110.8H83 Y84 C85 C87 P88 Y92 V94 L95 C103 I106H83-F90 WeakPolarHBondContact O-CE2 3.34Å; H83-F90 WeakPolarHBondContact O-CZ 3.07Å; Y84-F90 HydrophobicContact CD2-CD1 4.35Å; Y84-F90 AromaticContact CD2-CE1 3.69Å; Y84-F90 HydrophobicContact CD2-CE1 3.69Å; Y84-F90 HydrophobicContact CD2-CZ 4.42Å; Y84-F90 HydrophobicContact CE2-CE1 4.2Å; C85-F90 HydrophobicContact CB-CB 4.27Å; C85-F90 HydrophobicContact CB-CD2 4.49Å; C85-F90 HydrophobicContact CB-CG 4.28Å; C85-F90 VanDerWaalsContact O-CB 3.29Å; C85-F90 WeakPolarHBondContact O-CB 3.28Å; C85-F90 WeakPolarHBondContact O-CD1 3.3Å; C85-F90 VanDerWaalsContact O-CG 3.28Å; C85-F90 WeakPolarHBondContact O-CG 3.47Å; C87-F90 WeakPolarHBondContact O-CB 3.42Å; C87-F90 PolarHBondContact O-N 3.38Å; C87-F90 VanDerWaalsContact O-N 3.14Å; C87-F90 PolarHBondContact SG-N 2.85Å; C87-F90 VanDerWaalsContact SG-N 3.37Å; P88-F90 VanDerWaalsContact C-N 3.34Å; P88-F90 PolarHBondContact O-N 3.3Å; F90-Y92 VanDerWaalsContact C-N 3.32Å; F90-Y92 PolarHBondContact O-N 3.37Å; F90-V94 HydrophobicContact CD2-CB 3.91Å; F90-V94 HydrophobicContact CD2-CG1 4.21Å; F90-V94 HydrophobicContact CD2-CG2 3.8Å; F90-V94 HydrophobicContact CE2-CB 4.03Å; F90-V94 HydrophobicContact CE2-CG1 3.83Å; F90-V94 HydrophobicContact CE2-CG2 4.24Å; F90-V94 HydrophobicContact CG-CB 4.5Å; F90-V94 HydrophobicContact CZ-CG1 4.44Å; F90-V94 VanDerWaalsContact O-CB 3.3Å; F90-V94 WeakPolarHBondContact O-CB 3.5Å; F90-V94 PolarHBondContact O-N 3.32Å; F90-V94 VanDerWaalsContact O-N 3.11Å; F90-L95 HydrophobicContact CD1-CD1 4.09Å; F90-L95 HydrophobicContact CD1-CG 4.13Å; F90-L95 HydrophobicContact CE1-CD1 3.7Å; F90-L95 HydrophobicContact CE1-CD2 3.92Å; F90-L95 HydrophobicContact CE1-CG 3.72Å; F90-L95 HydrophobicContact CZ-CD2 3.98Å; F90-L95 HydrophobicContact CZ-CG 4.21Å; F90-L95 PolarHBondContact O-N 3.25Å; F90-L95 VanDerWaalsContact O-N 3.08Å; F90-C103 HydrophobicContact CB-CB 3.94Å; F90-C103 HydrophobicContact CD2-CB 4.44Å; F90-I106 HydrophobicContact CD2-CD1 3.8Å; F90-I106 HydrophobicContact CE2-CD1 3.78Å
91T96.8Very high94.7Very high54 Ų5473.1 Ų73.133%0.33138%0.381SS..Iπ-helixtrans-58.5-44.6179.5-60.40000111.9C87 P88 R96C87-T91 PolarHBondContact O-N 3.41Å; P88-T91 PolarHBondContact O-N 2.84Å; T91-R96 WeakPolarHBondContact O-CG 3.29Å; T91-R96 PolarHBondContact O-N 3.36Å; T91-R96 VanDerWaalsContact O-N 3.14Å
92Y96.4Very high95Very high116 Ų11669 Ų6946%0.45535%0.351SS..Iπ-helixtrans-82.6-54.6-175.3-175.2-98.8000112.8P88 F90 R96 R97P88-Y92 WeakPolarHBondContact O-CB 3.36Å; P88-Y92 PolarHBondContact O-N 3.46Å; F90-Y92 VanDerWaalsContact C-N 3.32Å; F90-Y92 PolarHBondContact O-N 3.37Å; Y92-R96 WeakPolarHBondContact O-CB 3.29Å; Y92-R96 PolarHBondContact O-N 3.28Å; Y92-R97 HydrophobicContact CD1-CG 4.21Å; Y92-R97 HydrophobicContact CE1-CG 3.87Å; Y92-R97 HydrophobicContact CE2-CG 4.33Å; Y92-R97 WeakPolarHBondContact O-CB 3.47Å; Y92-R97 WeakPolarHBondContact O-CG 3.01Å; Y92-R97 PolarHBondContact O-N 3.05Å; Y92-R97 PolarHBondContact OH-NE 3.17Å; Y92-R97 PolarHBondContact OH-NH2 3.11Å
93T93.7Very high95.2Very high50 Ų5066.1 Ų66.131%0.30733%0.332SS..Iπ-helixtrans-77.5-43.9-171.1-54.40000112.2A89 N98 Q99A89-T93 WeakPolarHBondContact O-CA 3.37Å; A89-T93 WeakPolarHBondContact O-CB 3.48Å; A89-T93 PolarHBondContact O-N 3.5Å; A89-T93 PolarHBondContact O-OG1 3.16Å; T93-N98 PolarHBondContact O-N 2.92Å; T93-Q99 HydrophobicContact CG2-CB 4.16Å; T93-Q99 PolarHBondContact O-N 2.89Å
94V94.2Very high95.4Very high19 Ų1967.7 Ų67.712%0.11534%0.339CS..Iπ-helixtrans-83.4-58.9-176.3-174.50000109.9F90 N98F90-V94 HydrophobicContact CD2-CB 3.91Å; F90-V94 HydrophobicContact CD2-CG1 4.21Å; F90-V94 HydrophobicContact CD2-CG2 3.8Å; F90-V94 HydrophobicContact CE2-CB 4.03Å; F90-V94 HydrophobicContact CE2-CG1 3.83Å; F90-V94 HydrophobicContact CE2-CG2 4.24Å; F90-V94 HydrophobicContact CG-CB 4.5Å; F90-V94 HydrophobicContact CZ-CG1 4.44Å; F90-V94 VanDerWaalsContact O-CB 3.3Å; F90-V94 WeakPolarHBondContact O-CB 3.5Å; F90-V94 PolarHBondContact O-N 3.32Å; F90-V94 VanDerWaalsContact O-N 3.11Å; V94-N98 WeakPolarHBondContact O-CA 3.28Å; V94-N98 PolarHBondContact O-N 3.46Å
95L94.3Very high95.6Very high110 Ų11063.6 Ų63.658%0.57632%0.323SS*.Iπ-helixtrans-76.4-47.3-172.1-60.7-176.7000114.1F90F90-L95 HydrophobicContact CD1-CD1 4.09Å; F90-L95 HydrophobicContact CD1-CG 4.13Å; F90-L95 HydrophobicContact CE1-CD1 3.7Å; F90-L95 HydrophobicContact CE1-CD2 3.92Å; F90-L95 HydrophobicContact CE1-CG 3.72Å; F90-L95 HydrophobicContact CZ-CD2 3.98Å; F90-L95 HydrophobicContact CZ-CG 4.21Å; F90-L95 PolarHBondContact O-N 3.25Å; F90-L95 VanDerWaalsContact O-N 3.08Å
96R95.1Very high95.6Very high199 Ų19963.6 Ų63.675%0.75132%0.323SS*.Iπ-helixtrans-85.1-43-173.4-72.8-179.1-176.9-1263.1113.8T91 Y92T91-R96 WeakPolarHBondContact O-CG 3.29Å; T91-R96 PolarHBondContact O-N 3.36Å; T91-R96 VanDerWaalsContact O-N 3.14Å; Y92-R96 WeakPolarHBondContact O-CB 3.29Å; Y92-R96 PolarHBondContact O-N 3.28Å
97R94.8Very high95.7Very high137 Ų13760.9 Ų60.952%0.51731%0.305SS..THydrogen-bonded Turntrans-94.3-19.4-175-67.8-70.2-172.8175.41.3113.3Y92 Q99Y92-R97 HydrophobicContact CD1-CG 4.21Å; Y92-R97 HydrophobicContact CE1-CG 3.87Å; Y92-R97 HydrophobicContact CE2-CG 4.33Å; Y92-R97 WeakPolarHBondContact O-CB 3.47Å; Y92-R97 WeakPolarHBondContact O-CG 3.01Å; Y92-R97 PolarHBondContact O-N 3.05Å; Y92-R97 PolarHBondContact OH-NE 3.17Å; Y92-R97 PolarHBondContact OH-NH2 3.11Å; R97-Q99 HydrophobicContact CB-CB 4.04Å; R97-Q99 HydrophobicContact CB-CG 3.89Å; R97-Q99 PolarHBondContact O-N 3Å
98N90.6Very high95.7Very high142 Ų14260.8 Ų60.876%0.75931%0.305SS*.  trans49.940.2-172.3-16436.2000112.5T93 V94T93-N98 PolarHBondContact O-N 2.92Å; V94-N98 WeakPolarHBondContact O-CA 3.28Å; V94-N98 PolarHBondContact O-N 3.46Å
99Q91.9Very high95.8Very high140 Ų14056.5 Ų56.565%0.65428%0.277SS*.  trans-106.83.8-174.1-82.5178.1-19.700113.1T93 R97T93-Q99 HydrophobicContact CG2-CB 4.16Å; T93-Q99 PolarHBondContact O-N 2.89Å; R97-Q99 HydrophobicContact CB-CB 4.04Å; R97-Q99 HydrophobicContact CB-CG 3.89Å; R97-Q99 PolarHBondContact O-N 3Å
100G91.6Very high95.9Very high23 Ų2356.2 Ų56.224%0.23727%0.266CS..  trans-159.9148.9176.500000110.9
101L94.1Very high95.9Very high67 Ų6755.8 Ų55.835%0.35126%0.264SS..SBendtrans-71.1-41.3-179.7-60.8177.8000111.7P6 A9 V37 F38P6-L101 HydrophobicContact CG-CD1 3.96Å; P6-L101 HydrophobicContact CG-CD2 3.68Å; P6-L101 HydrophobicContact CG-CG 4.47Å; A9-L101 HydrophobicContact CB-CD1 4.39Å; V37-L101 HydrophobicContact CG1-CD1 3.91Å; F38-L101 HydrophobicContact CD1-CB 4.38Å; F38-L101 HydrophobicContact CD1-CD1 4.43Å; F38-L101 HydrophobicContact CE1-CB 4.35Å; F38-L101 HydrophobicContact CE1-CD1 4.17Å
102L96.8Very high96Very high5 Ų553.2 Ų53.23%0.02625%0.249CC..  trans-143.7157.6-172.5-66178.4000110.5L5 F38 H83 I106 L107 Y110L5-L102 HydrophobicContact CD1-CD1 4.3Å; L5-L102 HydrophobicContact CD2-CD1 4.08Å; L5-L102 HydrophobicContact CD2-CD2 4.02Å; L5-L102 HydrophobicContact CD2-CG 4.1Å; F38-L102 HydrophobicContact CE1-CD1 3.94Å; F38-L102 HydrophobicContact CE1-CG 4.41Å; H83-L102 HydrophobicContact CB-CD2 4.05Å; L102-I106 HydrophobicContact CB-CB 4.46Å; L102-I106 HydrophobicContact CD1-CG2 4.06Å; L102-I106 HydrophobicContact CD2-CB 4.06Å; L102-I106 HydrophobicContact CD2-CD1 4.16Å; L102-I106 HydrophobicContact CD2-CG2 3.64Å; L102-I106 HydrophobicContact CG-CG2 4.37Å; L102-L107 HydrophobicContact CD1-CB 4.5Å; L102-Y110 HydrophobicContact CD1-CD2 3.87Å; L102-Y110 HydrophobicContact CD1-CE2 4.08Å
103C97.8Very high96Very high4 Ų451.7 Ų51.73%0.02725%0.246CC..  trans-80.9164.5161.374.50000110.3C85 C87 F90 H105 I106 L107C85-C103 VanDerWaalsContact CB-SG 3.56Å; C85-C103 VanDerWaalsContact SG-SG 3.69Å; C87-C103 VanDerWaalsContact SG-SG 3.6Å; F90-C103 HydrophobicContact CB-CB 3.94Å; F90-C103 HydrophobicContact CD2-CB 4.44Å; C103-H105 PolarHBondContact O-N 2.85Å; C103-H105 VanDerWaalsContact O-N 3.14Å; C103-I106 PolarHBondContact O-N 3.44Å; C103-L107 WeakPolarHBondContact O-CB 3.45Å; C103-L107 PolarHBondContact O-N 2.94Å
104K98.1Very high96.2Very high55 Ų5549.7 Ų49.724%0.23923%0.234CC..Hα-helixtrans-55.3-32.3177.864176.8179.2-179.40114C41 Q44 A45 L48 A108C41-K104 HydrophobicContact CB-CB 4.08Å; Q44-K104 HydrophobicContact CB-CB 4.06Å; Q44-K104 HydrophobicContact CB-CD 3.56Å; Q44-K104 HydrophobicContact CB-CG 4.49Å; Q44-K104 HydrophobicContact CG-CD 4.46Å; A45-K104 HydrophobicContact CB-CB 4.28Å; A45-K104 WeakPolarHBondContact CB-O 3.45Å; L48-K104 HydrophobicContact CD1-CD 4.3Å; L48-K104 HydrophobicContact CD1-CG 4.24Å; K104-A108 VanDerWaalsContact O-CB 3.25Å; K104-A108 WeakPolarHBondContact O-CB 3.46Å; K104-A108 PolarHBondContact O-N 3.14Å
105H98.6Very high96.4Very high8 Ų849.5 Ų49.54%0.03723%0.232CC..Hα-helixtrans-70.9-46.6-177.5-51.8115.8000111.6V68 Y76 C87 C103 L107 A108 V109V68-H105 HydrophobicContact CB-CB 4.23Å; V68-H105 HydrophobicContact CG1-CB 4.17Å; V68-H105 HydrophobicContact CG2-CB 4.33Å; Y76-H105 AromaticContact CD2-CE1 3.67Å; Y76-H105 AromaticContact CD2-NE2 3.62Å; Y76-H105 AromaticContact CE2-CE1 3.61Å; Y76-H105 AromaticContact CE2-NE2 3.62Å; C87-H105 PolarHBondContact SG-ND1 3.3Å; C103-H105 PolarHBondContact O-N 2.85Å; C103-H105 VanDerWaalsContact O-N 3.14Å; H105-L107 VanDerWaalsContact C-N 3.32Å; H105-A108 PolarHBondContact O-N 3.35Å; H105-V109 WeakPolarHBondContact O-CG2 3.33Å; H105-V109 PolarHBondContact O-N 3.24Å; H105-V109 VanDerWaalsContact O-N 3.08Å
106I98.1Very high96.5Very high0 Ų048.5 Ų48.50%024%0.24CC..Hα-helixtrans-66.8-39.9177.1-57.4162.7000109.8L80 H83 C85 F90 L102 C103 A108 V109 Y110L80-I106 HydrophobicContact CD1-CG2 4.39Å; H83-I106 WeakPolarHBondContact O-CD1 3.14Å; C85-I106 HydrophobicContact CB-CD1 3.69Å; C85-I106 HydrophobicContact CB-CG1 3.69Å; F90-I106 HydrophobicContact CD2-CD1 3.8Å; F90-I106 HydrophobicContact CE2-CD1 3.78Å; L102-I106 HydrophobicContact CB-CB 4.46Å; L102-I106 HydrophobicContact CD1-CG2 4.06Å; L102-I106 HydrophobicContact CD2-CB 4.06Å; L102-I106 HydrophobicContact CD2-CD1 4.16Å; L102-I106 HydrophobicContact CD2-CG2 3.64Å; L102-I106 HydrophobicContact CG-CG2 4.37Å; C103-I106 PolarHBondContact O-N 3.44Å; I106-A108 VanDerWaalsContact C-N 3.33Å; I106-A108 PolarHBondContact O-N 3.27Å; I106-V109 WeakPolarHBondContact O-CB 3.49Å; I106-V109 PolarHBondContact O-N 3.47Å; I106-Y110 HydrophobicContact CG2-CD2 3.93Å; I106-Y110 HydrophobicContact CG2-CE2 3.71Å; I106-Y110 WeakPolarHBondContact O-CD2 3.25Å; I106-Y110 PolarHBondContact O-N 2.99Å; I106-Y110 VanDerWaalsContact O-N 3.1Å
107L98.4Very high96.5Very high0 Ų039.9 Ų39.90%021%0.209CC..Hα-helixtrans-59.8-43.5174.9179.856.5000111.8F13 F38 A42 A45 L102 C103 H105 V109 Y110 L111F13-L107 HydrophobicContact CE1-CD1 3.75Å; F13-L107 HydrophobicContact CZ-CD1 3.54Å; F38-L107 HydrophobicContact CB-CD2 3.65Å; F38-L107 HydrophobicContact CD1-CD1 4.03Å; F38-L107 HydrophobicContact CD1-CD2 4.18Å; F38-L107 HydrophobicContact CD2-CD1 3.82Å; F38-L107 HydrophobicContact CD2-CD2 4.14Å; F38-L107 HydrophobicContact CE1-CD1 4Å; F38-L107 HydrophobicContact CE2-CD1 3.78Å; F38-L107 HydrophobicContact CG-CD1 3.94Å; F38-L107 HydrophobicContact CG-CD2 3.73Å; F38-L107 HydrophobicContact CG-CG 4.49Å; F38-L107 HydrophobicContact CZ-CD1 3.87Å; A42-L107 HydrophobicContact CB-CD2 4.4Å; A45-L107 HydrophobicContact CB-CB 3.85Å; A45-L107 HydrophobicContact CB-CD2 3.71Å; A45-L107 HydrophobicContact CB-CG 3.6Å; L102-L107 HydrophobicContact CD1-CB 4.5Å; C103-L107 WeakPolarHBondContact O-CB 3.45Å; C103-L107 PolarHBondContact O-N 2.94Å; H105-L107 VanDerWaalsContact C-N 3.32Å; L107-V109 VanDerWaalsContact C-N 3.28Å; L107-V109 PolarHBondContact O-N 3.46Å; L107-Y110 PolarHBondContact O-N 3.11Å; L107-L111 HydrophobicContact CD1-CD1 4.26Å; L107-L111 HydrophobicContact CD1-CG 4.25Å; L107-L111 HydrophobicContact CG-CD1 4.03Å; L107-L111 HydrophobicContact CG-CG 4.48Å; L107-L111 WeakPolarHBondContact O-CG 3.45Å; L107-L111 PolarHBondContact O-N 3.48Å
108A98.6Very high96.6Very high0 Ų034.2 Ų34.20%019%0.19CC..Hα-helixtrans-60.7-38175.700000111.8A45 L48 V49 V54 K104 H105 I106 L111 C112A45-A108 HydrophobicContact CB-CB 4.17Å; L48-A108 HydrophobicContact CB-CB 3.87Å; L48-A108 HydrophobicContact CD1-CB 4.05Å; V49-A108 HydrophobicContact CG2-CB 4.47Å; V54-A108 HydrophobicContact CG2-CB 4.15Å; K104-A108 VanDerWaalsContact O-CB 3.25Å; K104-A108 WeakPolarHBondContact O-CB 3.46Å; K104-A108 PolarHBondContact O-N 3.14Å; H105-A108 PolarHBondContact O-N 3.35Å; I106-A108 VanDerWaalsContact C-N 3.33Å; I106-A108 PolarHBondContact O-N 3.27Å; A108-L111 PolarHBondContact O-N 3.14Å; A108-C112 WeakPolarHBondContact O-CB 3.39Å; A108-C112 PolarHBondContact O-N 3.37Å; A108-C112 PolarHBondContact O-SG 2.81Å; A108-C112 VanDerWaalsContact O-SG 3.38Å
109V98.4Very high96.9Very high0 Ų032 Ų320%018%0.175CC..Hα-helixtrans-60.8-48.8173.9-179.90000111.2V54 F66 V68 L80 H105 I106 L107 L111 C112 Q113V54-V109 HydrophobicContact CG1-CB 4.39Å; V54-V109 HydrophobicContact CG1-CG1 4.47Å; V54-V109 HydrophobicContact CG1-CG2 3.85Å; F66-V109 HydrophobicContact CB-CG1 4.09Å; F66-V109 HydrophobicContact CB-CG2 3.77Å; F66-V109 HydrophobicContact CD1-CB 4.48Å; F66-V109 HydrophobicContact CD1-CG1 3.29Å; F66-V109 HydrophobicContact CD1-CG2 4.35Å; F66-V109 HydrophobicContact CD2-CG1 4.13Å; F66-V109 HydrophobicContact CE1-CG1 3.59Å; F66-V109 HydrophobicContact CE2-CG1 4.39Å; F66-V109 HydrophobicContact CG-CG1 3.57Å; F66-V109 HydrophobicContact CG-CG2 4.2Å; F66-V109 HydrophobicContact CZ-CG1 4.13Å; V68-V109 HydrophobicContact CG2-CG2 3.7Å; L80-V109 HydrophobicContact CD1-CB 3.95Å; L80-V109 HydrophobicContact CD1-CG1 3.54Å; L80-V109 HydrophobicContact CD1-CG2 4.3Å; L80-V109 HydrophobicContact CD2-CG1 3.66Å; L80-V109 HydrophobicContact CG-CG1 4.24Å; H105-V109 WeakPolarHBondContact O-CG2 3.33Å; H105-V109 PolarHBondContact O-N 3.24Å; H105-V109 VanDerWaalsContact O-N 3.08Å; I106-V109 WeakPolarHBondContact O-CB 3.49Å; I106-V109 PolarHBondContact O-N 3.47Å; L107-V109 VanDerWaalsContact C-N 3.28Å; L107-V109 PolarHBondContact O-N 3.46Å; V109-L111 VanDerWaalsContact C-N 3.34Å; V109-L111 PolarHBondContact O-N 2.93Å; V109-C112 PolarHBondContact O-N 2.71Å; V109-Q113 HydrophobicContact CG1-CG 4.44Å; V109-Q113 WeakPolarHBondContact O-CG 3.48Å; V109-Q113 PolarHBondContact O-N 2.76Å
110Y98.3Very high97.2Very high41 Ų4131.4 Ų31.416%0.16117%0.172CC..Hα-helixtrans-60.4-42.9178.2-83-71.6000112.6L5 F13 L80 H83 L102 I106 L107 Q113 A114L5-Y110 HydrophobicContact CD1-CD2 4.27Å; L5-Y110 HydrophobicContact CD1-CE1 4.18Å; L5-Y110 HydrophobicContact CD1-CE2 3.85Å; F13-Y110 HydrophobicContact CD2-CD1 4.12Å; F13-Y110 HydrophobicContact CD2-CG 4.25Å; F13-Y110 HydrophobicContact CE2-CD1 4.07Å; F13-Y110 HydrophobicContact CE2-CD2 4.29Å; F13-Y110 AromaticContact CE2-CG 3.79Å; F13-Y110 HydrophobicContact CE2-CG 3.79Å; F13-Y110 VanDerWaalsContact CZ-CB 3.46Å; F13-Y110 HydrophobicContact CZ-CD2 4.41Å; F13-Y110 AromaticContact CZ-CG 3.95Å; F13-Y110 HydrophobicContact CZ-CG 3.95Å; L80-Y110 HydrophobicContact CD2-CD1 4.48Å; L80-Y110 HydrophobicContact CD2-CE1 4.11Å; L80-Y110 HydrophobicContact CD2-CE2 4.27Å; L80-Y110 HydrophobicContact CG-CE2 4.17Å; H83-Y110 PolarHBondContact CD2-OH 3.18Å; H83-Y110 PolarHBondContact NE2-OH 2.75Å; L102-Y110 HydrophobicContact CD1-CD2 3.87Å; L102-Y110 HydrophobicContact CD1-CE2 4.08Å; I106-Y110 HydrophobicContact CG2-CD2 3.93Å; I106-Y110 HydrophobicContact CG2-CE2 3.71Å; I106-Y110 WeakPolarHBondContact O-CD2 3.25Å; I106-Y110 PolarHBondContact O-N 2.99Å; I106-Y110 VanDerWaalsContact O-N 3.1Å; L107-Y110 PolarHBondContact O-N 3.11Å; Y110-Q113 PolarHBondContact O-N 3.01Å; Y110-A114 WeakPolarHBondContact O-CB 3.42Å; Y110-A114 PolarHBondContact O-N 3.11Å
111L98.3Very high97.5Very high1 Ų134.8 Ų34.81%0.00518%0.182CC..Hα-helixtrans-63.8-46.7177-69.1170.2000111.3F13 I16 L34 A45 L46 V49 L107 A108 V109 Q113 A114 M115F13-L111 HydrophobicContact CD1-CD2 4.26Å; F13-L111 HydrophobicContact CE1-CD2 3.97Å; F13-L111 HydrophobicContact CE1-CG 4.23Å; I16-L111 HydrophobicContact CD1-CD2 3.88Å; L34-L111 HydrophobicContact CD1-CD2 4Å; L34-L111 HydrophobicContact CD2-CD2 3.94Å; A45-L111 HydrophobicContact CB-CD1 4.04Å; L46-L111 HydrophobicContact CD2-CD1 3.95Å; L46-L111 HydrophobicContact CG-CD1 4.22Å; V49-L111 HydrophobicContact CG2-CB 3.71Å; V49-L111 HydrophobicContact CG2-CD1 4.34Å; L107-L111 HydrophobicContact CD1-CD1 4.26Å; L107-L111 HydrophobicContact CD1-CG 4.25Å; L107-L111 HydrophobicContact CG-CD1 4.03Å; L107-L111 HydrophobicContact CG-CG 4.48Å; L107-L111 WeakPolarHBondContact O-CG 3.45Å; L107-L111 PolarHBondContact O-N 3.48Å; A108-L111 PolarHBondContact O-N 3.14Å; V109-L111 VanDerWaalsContact C-N 3.34Å; V109-L111 PolarHBondContact O-N 2.93Å; L111-Q113 PolarHBondContact O-N 2.81Å; L111-A114 PolarHBondContact O-N 3.25Å; L111-M115 HydrophobicContact CB-SD 4.38Å; L111-M115 WeakPolarHBondContact O-CB 3.45Å; L111-M115 VanDerWaalsContact O-CG 3.28Å; L111-M115 WeakPolarHBondContact O-CG 3.45Å; L111-M115 PolarHBondContact O-N 2.84Å
112C98.1Very high97.6Very high1 Ų136.3 Ų36.31%0.00720%0.198CC..Hα-helixtrans-60.5-33.3175.8-76.30000112.7V54 A108 V109 A116 V117 T118V54-C112 HydrophobicContact CB-CB 4.25Å; V54-C112 HydrophobicContact CG1-CB 4.4Å; V54-C112 HydrophobicContact CG2-CB 4.41Å; V54-C112 VanDerWaalsContact CG2-SG 3.59Å; A108-C112 WeakPolarHBondContact O-CB 3.39Å; A108-C112 PolarHBondContact O-N 3.37Å; A108-C112 PolarHBondContact O-SG 2.81Å; A108-C112 VanDerWaalsContact O-SG 3.38Å; V109-C112 PolarHBondContact O-N 2.71Å; C112-A116 PolarHBondContact O-N 3.16Å; C112-V117 HydrophobicContact CB-CG2 4.08Å; C112-V117 PolarHBondContact O-N 2.88Å; C112-T118 VanDerWaalsContact CB-OG1 3.26Å; C112-T118 WeakPolarHBondContact CB-OG1 3.29Å; C112-T118 PolarHBondContact O-N 2.86Å; C112-T118 PolarHBondContact O-OG1 2.88Å
113Q97.1Very high97.6Very high84 Ų8436.8 Ų36.839%0.39320%0.2SC..Hα-helixtrans-71.2-48.6175-74.1-173.3-5600111.4F66 V109 Y110 L111 M115 A116 T118F66-Q113 HydrophobicContact CE1-CG 4.46Å; V109-Q113 HydrophobicContact CG1-CG 4.44Å; V109-Q113 WeakPolarHBondContact O-CG 3.48Å; V109-Q113 PolarHBondContact O-N 2.76Å; Y110-Q113 PolarHBondContact O-N 3.01Å; L111-Q113 PolarHBondContact O-N 2.81Å; Q113-M115 VanDerWaalsContact C-N 3.28Å; Q113-M115 PolarHBondContact O-N 2.88Å; Q113-A116 PolarHBondContact O-N 3.05Å; Q113-A116 VanDerWaalsContact O-N 3.12Å; Q113-T118 PolarHBondContact N-OG1 2.91Å
114A97.5Very high97.6Very high8 Ų839 Ų397%0.06622%0.216CC..Hα-helixtrans-60-39.2178.500000111.8I16 Q17 Y110 L111 A116I16-A114 HydrophobicContact CG2-CB 4.12Å; Q17-A114 VanDerWaalsContact CA-O 3.28Å; Q17-A114 WeakPolarHBondContact CA-O 3.27Å; Q17-A114 HydrophobicContact CB-CB 4.19Å; Q17-A114 WeakPolarHBondContact CB-O 3.49Å; Q17-A114 WeakPolarHBondContact CG-O 3.29Å; Y110-A114 WeakPolarHBondContact O-CB 3.42Å; Y110-A114 PolarHBondContact O-N 3.11Å; L111-A114 PolarHBondContact O-N 3.25Å; A114-A116 VanDerWaalsContact C-N 3.31Å; A114-A116 PolarHBondContact O-N 2.88Å
115M97.4Very high97.6Very high15 Ų1539.6 Ų39.67%0.07422%0.222CC..THydrogen-bonded Turntrans-85.30.1180-63.2161.871.800113.5I16 Y20 I26 V49 L111 Q113 V117I16-M115 HydrophobicContact CG2-CG 4.09Å; Y20-M115 HydrophobicContact CD1-CB 3.73Å; Y20-M115 HydrophobicContact CD1-CG 4.08Å; Y20-M115 WeakPolarHBondContact CD1-O 3.43Å; Y20-M115 HydrophobicContact CD2-CB 4.44Å; Y20-M115 HydrophobicContact CD2-CE 4.11Å; Y20-M115 HydrophobicContact CD2-CG 3.94Å; Y20-M115 HydrophobicContact CE1-CB 3.72Å; Y20-M115 HydrophobicContact CE1-CE 4.36Å; Y20-M115 HydrophobicContact CE1-CG 4.26Å; Y20-M115 WeakPolarHBondContact CE1-O 3.44Å; Y20-M115 HydrophobicContact CE2-CB 4.44Å; Y20-M115 HydrophobicContact CE2-CE 3.4Å; Y20-M115 VanDerWaalsContact CE2-CE 3.4Å; Y20-M115 HydrophobicContact CE2-CG 4.12Å; Y20-M115 HydrophobicContact CG-CB 4.1Å; Y20-M115 HydrophobicContact CG-CG 3.91Å; I26-M115 HydrophobicContact CD1-CE 4.22Å; I26-M115 HydrophobicContact CD1-SD 3.88Å; V49-M115 HydrophobicContact CG1-CE 3.81Å; V49-M115 HydrophobicContact CG1-SD 3.82Å; L111-M115 HydrophobicContact CB-SD 4.38Å; L111-M115 WeakPolarHBondContact O-CB 3.45Å; L111-M115 VanDerWaalsContact O-CG 3.28Å; L111-M115 WeakPolarHBondContact O-CG 3.45Å; L111-M115 PolarHBondContact O-N 2.84Å; Q113-M115 VanDerWaalsContact C-N 3.28Å; Q113-M115 PolarHBondContact O-N 2.88Å; M115-V117 HydrophobicContact CB-CG1 4.28Å; M115-V117 HydrophobicContact CB-CG2 3.85Å; M115-V117 WeakPolarHBondContact O-CG1 3.37Å; M115-V117 PolarHBondContact O-N 3.17Å
116A96.3Very high97.5Very high89 Ų8947.1 Ų47.174%0.73626%0.257SS*.THydrogen-bonded Turntrans53.433.1-175.600000114.7C112 Q113 A114C112-A116 PolarHBondContact O-N 3.16Å; Q113-A116 PolarHBondContact O-N 3.05Å; Q113-A116 VanDerWaalsContact O-N 3.12Å; A114-A116 VanDerWaalsContact C-N 3.31Å; A114-A116 PolarHBondContact O-N 2.88Å
117V96.4Very high97.4Very high17 Ų1752.4 Ų52.410%0.10328%0.282CS..  trans-107.96.5-178.3-66.90000113.9Y20 V49 R52 C112 M115 Q119Y20-V117 HydrophobicContact CE1-CG1 4.44Å; V49-V117 HydrophobicContact CG1-CG2 3.85Å; R52-V117 VanDerWaalsContact NH1-CB 3.35Å; R52-V117 PolarHBondContact NH1-O 3.28Å; C112-V117 HydrophobicContact CB-CG2 4.08Å; C112-V117 PolarHBondContact O-N 2.88Å; M115-V117 HydrophobicContact CB-CG1 4.28Å; M115-V117 HydrophobicContact CB-CG2 3.85Å; M115-V117 WeakPolarHBondContact O-CG1 3.37Å; M115-V117 PolarHBondContact O-N 3.17Å; V117-Q119 PolarHBondContact O-N 3.37Å
118T96.4Very high97.3Very high19 Ų1952.4 Ų52.412%0.11728%0.282CS..  trans-68.7126-179.7-53.60000111.3V54 C56 C112 Q113 Q120V54-T118 HydrophobicContact CG1-CG2 4.18Å; C56-T118 HydrophobicContact CB-CG2 3.66Å; C112-T118 VanDerWaalsContact CB-OG1 3.26Å; C112-T118 WeakPolarHBondContact CB-OG1 3.29Å; C112-T118 PolarHBondContact O-N 2.86Å; C112-T118 PolarHBondContact O-OG1 2.88Å; Q113-T118 PolarHBondContact N-OG1 2.91Å; T118-Q120 PolarHBondContact O-NE2 3.47Å
119Q97.1Very high97.1Very high94 Ų9455.8 Ų55.844%0.43931%0.305SS..EExtended strand (participates in β ladder)trans-67139.6172.9-53.4-171.427.900110R52 V54 T55 C56 V117R52-Q119 PolarHBondContact O-NE2 3.06Å; V54-Q119 PolarHBondContact O-N 2.84Å; V54-Q119 VanDerWaalsContact O-N 3.16Å; T55-Q119 CarbonylContact C-O 3.6Å; T55-Q119 WeakPolarHBondContact CA-O 3.06Å; T55-Q119 HydrophobicContact CG2-CB 4.3Å; C56-Q119 PolarHBondContact N-O 2.78Å; V117-Q119 PolarHBondContact O-N 3.37Å
120Q97.3Very high96.9Very high128 Ų12860.1 Ų60.160%0.59834%0.341SS*.EExtended strand (participates in β ladder)trans-111.6133.4-179.9-59.6-60.1-4700110.1T118T118-Q120 PolarHBondContact O-NE2 3.47Å
121E97.6Very high96.6Very high95 Ų9559.8 Ų59.844%0.44434%0.343SS..EExtended strand (participates in β ladder)trans-132.2129.4173.1-170178.7166.300109.5T55 C56 L57 S58 I123T55-E121 HydrophobicContact CG2-CB 3.93Å; C56-E121 PolarHBondContact O-N 2.83Å; L57-E121 WeakPolarHBondContact CA-O 3.39Å; L57-E121 HydrophobicContact CD2-CB 3.85Å; L57-E121 HydrophobicContact CD2-CG 4.22Å; L57-E121 WeakPolarHBondContact CD2-OE2 3.47Å; S58-E121 PolarHBondContact N-O 3.13Å; S58-E121 PolarHBondContact OG-O 3.03Å; E121-I123 HydrophobicContact CG-CG2 4.17Å
122S97.3Very high96Very high99 Ų9964.9 Ų64.969%0.69237%0.37SS*.EExtended strand (participates in β ladder)trans-96.6122.7175.9-178.90000109.2S58S58-S122 CarbonylContact O-C 3.55Å; S58-S122 WeakPolarHBondContact O-CA 3.17Å
123I97.5Very high95.9Very high14 Ų1468.1 Ų68.17%0.07239%0.388CS..  trans-122.8156.3178.466.3171.1000110.9L57 S58 S59 P60 E121 Q127 M128 V131L57-I123 HydrophobicContact CB-CD1 4.09Å; L57-I123 HydrophobicContact CD1-CD1 4.2Å; L57-I123 HydrophobicContact CD2-CG2 4.45Å; S58-I123 PolarHBondContact O-N 3.28Å; S59-I123 VanDerWaalsContact CA-O 3.29Å; S59-I123 WeakPolarHBondContact CA-O 3.17Å; S59-I123 VanDerWaalsContact CB-O 3.3Å; S59-I123 WeakPolarHBondContact CB-O 3.49Å; P60-I123 WeakPolarHBondContact CD-O 3.2Å; E121-I123 HydrophobicContact CG-CG2 4.17Å; I123-Q127 HydrophobicContact CB-CB 4.08Å; I123-Q127 HydrophobicContact CD1-CB 4.15Å; I123-Q127 HydrophobicContact CG1-CB 4.46Å; I123-M128 HydrophobicContact CD1-CB 3.98Å; I123-M128 HydrophobicContact CD1-CE 3.81Å; I123-M128 HydrophobicContact CD1-SD 4.21Å; I123-M128 HydrophobicContact CG1-CB 4.37Å; I123-M128 HydrophobicContact CG1-CE 3.99Å; I123-V131 HydrophobicContact CD1-CG2 4.49Å
124S97.6Very high95.8Very high50 Ų5067.2 Ų67.235%0.3539%0.388SS..  trans-66.5158.3173.364.50000111.9Q126 Q127 M128S124-Q126 PolarHBondContact O-N 3.24Å; S124-Q127 PolarHBondContact O-N 3.29Å; S124-Q127 VanDerWaalsContact O-N 3.17Å; S124-Q127 VanDerWaalsContact OG-CG 3.29Å; S124-Q127 WeakPolarHBondContact OG-CG 3.49Å; S124-Q127 PolarHBondContact OG-N 3.08Å; S124-Q127 PolarHBondContact OG-OE1 3.3Å; S124-M128 PolarHBondContact O-N 3.05Å
125D97.1Very high95.7Very high69 Ų6970.5 Ų70.537%0.36941%0.406SS..Hα-helixtrans-62.1-30.4175-71.8-36.4000112.6S59 S61 M128 S129S59-D125 WeakPolarHBondContact CB-OD1 3.3Å; S59-D125 PolarHBondContact OG-OD1 2.58Å; S61-D125 WeakPolarHBondContact CB-OD1 3.36Å; S61-D125 PolarHBondContact N-OD1 2.63Å; S61-D125 PolarHBondContact OG-OD1 3.21Å; D125-M128 PolarHBondContact O-N 3.31Å; D125-S129 PolarHBondContact O-N 3.4Å
126Q96.6Very high95.6Very high165 Ų16573.8 Ų73.877%0.77143%0.425SS*.Hα-helixtrans-67.3-43.7174.5-172.6176.60.800111.3S124 M128 S129S124-Q126 PolarHBondContact O-N 3.24Å; Q126-M128 VanDerWaalsContact C-N 3.34Å; Q126-S129 PolarHBondContact O-N 2.92Å; Q126-S129 PolarHBondContact O-OG 3.18Å
127Q96.4Very high95.6Very high112 Ų11272.8 Ų72.852%0.52341%0.406SS..Hα-helixtrans-63.4-41.8173.1-72.6164.3-56.500111.1I123 S124 S129 A130I123-Q127 HydrophobicContact CB-CB 4.08Å; I123-Q127 HydrophobicContact CD1-CB 4.15Å; I123-Q127 HydrophobicContact CG1-CB 4.46Å; S124-Q127 PolarHBondContact O-N 3.29Å; S124-Q127 VanDerWaalsContact O-N 3.17Å; S124-Q127 VanDerWaalsContact OG-CG 3.29Å; S124-Q127 WeakPolarHBondContact OG-CG 3.49Å; S124-Q127 PolarHBondContact OG-N 3.08Å; S124-Q127 PolarHBondContact OG-OE1 3.3Å; Q127-S129 VanDerWaalsContact C-N 3.26Å; Q127-S129 PolarHBondContact O-N 3.17Å; Q127-A130 WeakPolarHBondContact O-CB 3.29Å; Q127-A130 PolarHBondContact O-N 2.81Å
128M96.8Very high95.5Very high0 Ų076.5 Ų76.50%043%0.426CS..Hα-helixtrans-59.8-36177.3-175.963.675.200112.3L57 R63 A65 I123 S124 D125 Q126 A130 V131 L132L57-M128 HydrophobicContact CB-CE 4.24Å; R63-M128 HydrophobicContact CB-CE 4.28Å; R63-M128 HydrophobicContact CB-CG 3.87Å; R63-M128 HydrophobicContact CB-SD 4.33Å; R63-M128 WeakPolarHBondContact O-CE 3.35Å; A65-M128 HydrophobicContact CB-SD 4.3Å; I123-M128 HydrophobicContact CD1-CB 3.98Å; I123-M128 HydrophobicContact CD1-CE 3.81Å; I123-M128 HydrophobicContact CD1-SD 4.21Å; I123-M128 HydrophobicContact CG1-CB 4.37Å; I123-M128 HydrophobicContact CG1-CE 3.99Å; S124-M128 PolarHBondContact O-N 3.05Å; D125-M128 PolarHBondContact O-N 3.31Å; Q126-M128 VanDerWaalsContact C-N 3.34Å; M128-A130 PolarHBondContact O-N 3Å; M128-V131 PolarHBondContact O-N 3.31Å; M128-L132 HydrophobicContact CG-CD1 3.75Å; M128-L132 HydrophobicContact CG-CG 4.12Å; M128-L132 PolarHBondContact O-N 2.65Å; M128-L132 VanDerWaalsContact O-N 3.13Å; M128-L132 HydrophobicContact SD-CD1 4.14Å; M128-L132 HydrophobicContact SD-CD2 4.43Å; M128-L132 HydrophobicContact SD-CG 4.02Å
129S94.6Very high95.5Very high71 Ų7180.6 Ų80.650%0.49745%0.448SS..Hα-helixtrans-65.1-1917670.90000115D125 Q126 Q127D125-S129 PolarHBondContact O-N 3.4Å; Q126-S129 PolarHBondContact O-N 2.92Å; Q126-S129 PolarHBondContact O-OG 3.18Å; Q127-S129 VanDerWaalsContact C-N 3.26Å; Q127-S129 PolarHBondContact O-N 3.17Å
130A93.9Very high95.4Very high90 Ų9079.6 Ų79.674%0.74445%0.449SS*.Hα-helixtrans-86.3-13.8173.400000112.6Q127 M128Q127-A130 WeakPolarHBondContact O-CB 3.29Å; Q127-A130 PolarHBondContact O-N 2.81Å; M128-A130 PolarHBondContact O-N 3Å
131V91.9Very high95.2Very high34 Ų3475.6 Ų75.621%0.20644%0.436CS..Hα-helixtrans-93.7-36.6-179.4177.30000111.8L57 A65 T77 I123 M128L57-V131 HydrophobicContact CD1-CG1 4.14Å; L57-V131 HydrophobicContact CD1-CG2 4.1Å; A65-V131 HydrophobicContact CB-CG1 3.76Å; T77-V131 HydrophobicContact CG2-CG1 3.57Å; I123-V131 HydrophobicContact CD1-CG2 4.49Å; M128-V131 PolarHBondContact O-N 3.31Å
132L85.2Confident95Very high108 Ų10873.8 Ų73.857%0.56544%0.435SS*.  trans-84.50-179-64.1176.1000112.1R63 F79 M128R63-L132 HydrophobicContact CB-CD1 4.4Å; R63-L132 HydrophobicContact CG-CD1 4.29Å; F79-L132 HydrophobicContact CD1-CD2 4.04Å; F79-L132 HydrophobicContact CE1-CD2 3.57Å; F79-L132 HydrophobicContact CZ-CD2 4.37Å; M128-L132 HydrophobicContact CG-CD1 3.75Å; M128-L132 HydrophobicContact CG-CG 4.12Å; M128-L132 PolarHBondContact O-N 2.65Å; M128-L132 VanDerWaalsContact O-N 3.13Å; M128-L132 HydrophobicContact SD-CD1 4.14Å; M128-L132 HydrophobicContact SD-CD2 4.43Å; M128-L132 HydrophobicContact SD-CG 4.02Å

Retrieved 132 of 132 residues in 130.1 ms (Link to these results)

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