A0A087XT71_POEFO Loading...

Chromosome 15 open reading frame 61

AlphaFold DB , UniProt , Accession A0A087XT71, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 156 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
1M69Low80.6Confident191 Ų191104.5 Ų104.594%0.94150%0.498SS*.  0-55.10-160.8-176-68.300113E3 F4 L5M1-E3 PolarHBondContact O-N 2.95Å; M1-F4 PolarHBondContact O-N 2.6Å; M1-L5 HydrophobicContact CG-CD1 4.19Å; M1-L5 PolarHBondContact O-N 3.21Å
2K76.6Confident81Confident95 Ų95105.7 Ų105.741%0.41350%0.5SS..Hα-helixtrans-58.2-41.7-178.8-166.8171.2-177170.20114L5 R6 F62 G63K2-L5 PolarHBondContact O-N 2.78Å; K2-R6 WeakPolarHBondContact O-CB 3.27Å; K2-R6 PolarHBondContact O-N 2.8Å; K2-F62 WeakPolarHBondContact CE-O 3.43Å; K2-G63 PolarHBondContact NZ-O 3.3Å; K2-G63 VanDerWaalsContact NZ-O 3.12Å
3E79.8Confident80.9Confident134 Ų13498.9 Ų98.963%0.62647%0.469SS*.Hα-helixtrans-66.9-38.6176-67.3-167.2138.300113.4M1 R6 K7M1-E3 PolarHBondContact O-N 2.95Å; E3-R6 WeakPolarHBondContact O-CB 3.49Å; E3-R6 PolarHBondContact O-N 3.5Å; E3-K7 WeakPolarHBondContact O-CG 3.11Å; E3-K7 PolarHBondContact O-N 3.08Å
4F82.4Confident80.6Confident135 Ų13598.2 Ų98.259%0.59247%0.465SS*.Hα-helixtrans-63.9-46.1176179.1-106.9000111M1 R6 K7 I8M1-F4 PolarHBondContact O-N 2.6Å; F4-R6 VanDerWaalsContact C-N 3.33Å; F4-R6 PolarHBondContact O-N 3.11Å; F4-K7 WeakPolarHBondContact O-CB 3.48Å; F4-K7 PolarHBondContact O-N 3.44Å; F4-I8 HydrophobicContact CD1-CD1 3.77Å; F4-I8 HydrophobicContact CE1-CD1 3.28Å; F4-I8 HydrophobicContact CE1-CG1 4.32Å; F4-I8 HydrophobicContact CE2-CD1 4.3Å; F4-I8 HydrophobicContact CG-CD1 4.48Å; F4-I8 HydrophobicContact CZ-CD1 3.59Å; F4-I8 HydrophobicContact CZ-CG1 4.31Å; F4-I8 WeakPolarHBondContact O-CG1 3.12Å; F4-I8 PolarHBondContact O-N 2.59Å
5L81.4Confident80.5Confident87 Ų8799.8 Ų99.846%0.45548%0.475SS..Hα-helixtrans-62.4-39.1173.5-69.6170.9000112.2M1 K2 K7 I8 H9 F62M1-L5 HydrophobicContact CG-CD1 4.19Å; M1-L5 PolarHBondContact O-N 3.21Å; K2-L5 PolarHBondContact O-N 2.78Å; L5-K7 VanDerWaalsContact C-N 3.34Å; L5-K7 PolarHBondContact O-N 3.03Å; L5-I8 PolarHBondContact O-N 2.76Å; L5-H9 VanDerWaalsContact O-CB 3.25Å; L5-H9 WeakPolarHBondContact O-CB 3.43Å; L5-H9 PolarHBondContact O-N 3.37Å; L5-F62 HydrophobicContact CB-CE1 4.32Å
6R84.3Confident80.4Confident80 Ų8096.4 Ų96.430%0.30247%0.47SS..Hα-helixtrans-60.3-43.9173.6-171.4-170.6-62.6152.4-4.4111K2 E3 F4 H9 S10 F62K2-R6 WeakPolarHBondContact O-CB 3.27Å; K2-R6 PolarHBondContact O-N 2.8Å; E3-R6 WeakPolarHBondContact O-CB 3.49Å; E3-R6 PolarHBondContact O-N 3.5Å; F4-R6 VanDerWaalsContact C-N 3.33Å; F4-R6 PolarHBondContact O-N 3.11Å; R6-H9 PolarHBondContact O-N 2.88Å; R6-S10 WeakPolarHBondContact O-CB 3.44Å; R6-S10 PolarHBondContact O-N 3.43Å; R6-F62 HydrophobicContact CB-CD1 3.62Å; R6-F62 HydrophobicContact CB-CE1 3.97Å; R6-F62 HydrophobicContact CB-CG 4.19Å; R6-F62 HydrophobicContact CG-CB 3.93Å; R6-F62 HydrophobicContact CG-CD1 3.85Å; R6-F62 HydrophobicContact CG-CG 3.91Å
7K82.9Confident80.1Confident144 Ų14493.4 Ų93.463%0.62646%0.456SS*.Hα-helixtrans-63.1-49176-76-178.7-179.7-1780111.6E3 F4 L5 H9 S10 I11E3-K7 WeakPolarHBondContact O-CG 3.11Å; E3-K7 PolarHBondContact O-N 3.08Å; F4-K7 WeakPolarHBondContact O-CB 3.48Å; F4-K7 PolarHBondContact O-N 3.44Å; L5-K7 VanDerWaalsContact C-N 3.34Å; L5-K7 PolarHBondContact O-N 3.03Å; K7-H9 VanDerWaalsContact C-N 3.31Å; K7-H9 PolarHBondContact O-N 3.2Å; K7-S10 PolarHBondContact O-N 3.47Å; K7-I11 VanDerWaalsContact O-CG1 3.29Å; K7-I11 WeakPolarHBondContact O-CG1 3.32Å; K7-I11 PolarHBondContact O-N 2.85Å
8I84.9Confident79.5Confident83 Ų8390.1 Ų90.143%0.42644%0.439SS..Hα-helixtrans-56.9-48.1176.2-69.6172.4000110.4F4 L5 S10 I11 F12F4-I8 HydrophobicContact CD1-CD1 3.77Å; F4-I8 HydrophobicContact CE1-CD1 3.28Å; F4-I8 HydrophobicContact CE1-CG1 4.32Å; F4-I8 HydrophobicContact CE2-CD1 4.3Å; F4-I8 HydrophobicContact CG-CD1 4.48Å; F4-I8 HydrophobicContact CZ-CD1 3.59Å; F4-I8 HydrophobicContact CZ-CG1 4.31Å; F4-I8 WeakPolarHBondContact O-CG1 3.12Å; F4-I8 PolarHBondContact O-N 2.59Å; L5-I8 PolarHBondContact O-N 2.76Å; I8-S10 VanDerWaalsContact C-N 3.35Å; I8-S10 PolarHBondContact O-N 3.36Å; I8-I11 PolarHBondContact O-N 3.09Å; I8-F12 WeakPolarHBondContact O-CB 3.44Å; I8-F12 PolarHBondContact O-N 3.33Å
9H82Confident78.5Confident48 Ų4890.9 Ų90.922%0.22245%0.452CS..Hα-helixtrans-60.8-43.3178.4179.567.9000112L5 R6 K7 I11 F12 L13 Y54 F62L5-H9 VanDerWaalsContact O-CB 3.25Å; L5-H9 WeakPolarHBondContact O-CB 3.43Å; L5-H9 PolarHBondContact O-N 3.37Å; R6-H9 PolarHBondContact O-N 2.88Å; K7-H9 VanDerWaalsContact C-N 3.31Å; K7-H9 PolarHBondContact O-N 3.2Å; H9-I11 PolarHBondContact O-N 3.3Å; H9-F12 PolarHBondContact O-N 3.21Å; H9-L13 WeakPolarHBondContact NE2-CD1 3.39Å; H9-L13 WeakPolarHBondContact O-CB 3.42Å; H9-L13 VanDerWaalsContact O-CG 3.31Å; H9-L13 WeakPolarHBondContact O-CG 3.42Å; H9-L13 PolarHBondContact O-N 3.38Å; H9-Y54 AromaticContact NE2-CE1 3.92Å; H9-Y54 AromaticContact NE2-CZ 3.92Å; H9-F62 HydrophobicContact CB-CE2 3.77Å; H9-F62 HydrophobicContact CB-CZ 4Å; H9-F62 AromaticContact CD2-CD2 3.52Å; H9-F62 AromaticContact CD2-CE2 3.3Å; H9-F62 WeakPolarHBondContact CD2-CE2 3.33Å; H9-F62 AromaticContact CG-CE2 3.5Å; H9-F62 VanDerWaalsContact CG-CE2 3.5Å; H9-F62 AromaticContact NE2-CE2 3.89Å
10S79.8Confident77.3Confident51 Ų5192.1 Ų92.136%0.35747%0.469SS..Hα-helixtrans-62.5-40.6176-166.30000112.3R6 K7 I8 L13 H14R6-S10 WeakPolarHBondContact O-CB 3.44Å; R6-S10 PolarHBondContact O-N 3.43Å; K7-S10 PolarHBondContact O-N 3.47Å; I8-S10 VanDerWaalsContact C-N 3.35Å; I8-S10 PolarHBondContact O-N 3.36Å; S10-L13 PolarHBondContact O-N 3.32Å; S10-H14 WeakPolarHBondContact O-CB 3.41Å; S10-H14 PolarHBondContact O-CD2 2.99Å; S10-H14 PolarHBondContact O-N 3.04Å
11I83.3Confident76.1Confident101 Ų10195.6 Ų95.652%0.51848%0.476SS..Hα-helixtrans-64.9-47.1176.2-68.6164.5000110K7 I8 H9 L13 H14 I15K7-I11 VanDerWaalsContact O-CG1 3.29Å; K7-I11 WeakPolarHBondContact O-CG1 3.32Å; K7-I11 PolarHBondContact O-N 2.85Å; I8-I11 PolarHBondContact O-N 3.09Å; H9-I11 PolarHBondContact O-N 3.3Å; I11-L13 PolarHBondContact O-N 3.34Å; I11-H14 WeakPolarHBondContact O-CB 3.4Å; I11-H14 PolarHBondContact O-N 3.36Å; I11-H14 VanDerWaalsContact O-N 3.15Å; I11-I15 HydrophobicContact CG2-CD1 3.79Å; I11-I15 HydrophobicContact CG2-CG1 4.45Å; I11-I15 WeakPolarHBondContact O-CG1 3.29Å; I11-I15 PolarHBondContact O-N 3.33Å
12F85.3Confident75.1Confident119 Ų11997.4 Ų97.452%0.52248%0.479SS..Hα-helixtrans-57.3-48.8175.7171.9-95.3000111.6I8 H9 H14 I15 A16I8-F12 WeakPolarHBondContact O-CB 3.44Å; I8-F12 PolarHBondContact O-N 3.33Å; H9-F12 PolarHBondContact O-N 3.21Å; F12-H14 VanDerWaalsContact C-N 3.29Å; F12-H14 PolarHBondContact O-N 2.82Å; F12-I15 PolarHBondContact O-N 3.11Å; F12-A16 HydrophobicContact CE1-CB 4.44Å; F12-A16 HydrophobicContact CZ-CB 4.4Å; F12-A16 VanDerWaalsContact O-CB 3.26Å; F12-A16 WeakPolarHBondContact O-CB 3.17Å; F12-A16 PolarHBondContact O-N 2.86Å
13L80.7Confident73.7Confident18 Ų1895.3 Ų95.39%0.09449%0.485CS..Hα-helixtrans-59.5-40.4176-71.7178.2000111.7H9 S10 I11 A16 L17 Y54 F84H9-L13 WeakPolarHBondContact NE2-CD1 3.39Å; H9-L13 WeakPolarHBondContact O-CB 3.42Å; H9-L13 VanDerWaalsContact O-CG 3.31Å; H9-L13 WeakPolarHBondContact O-CG 3.42Å; H9-L13 PolarHBondContact O-N 3.38Å; S10-L13 PolarHBondContact O-N 3.32Å; I11-L13 PolarHBondContact O-N 3.34Å; L13-A16 PolarHBondContact O-N 3.43Å; L13-L17 HydrophobicContact CB-CD1 4.4Å; L13-L17 HydrophobicContact CD2-CD1 4.07Å; L13-L17 WeakPolarHBondContact O-CB 3.24Å; L13-L17 WeakPolarHBondContact O-CG 3.37Å; L13-L17 PolarHBondContact O-N 2.68Å; L13-Y54 HydrophobicContact CD1-CD1 3.57Å; L13-Y54 HydrophobicContact CD1-CD2 4.28Å; L13-Y54 HydrophobicContact CD1-CE1 3.99Å; L13-Y54 HydrophobicContact CD1-CG 3.74Å; L13-Y54 HydrophobicContact CD2-CD2 3.81Å; L13-Y54 HydrophobicContact CD2-CE2 4.24Å; L13-Y54 HydrophobicContact CD2-CG 4Å; L13-F84 HydrophobicContact CD2-CD2 3.61Å; L13-F84 HydrophobicContact CD2-CE2 3.77Å
14H76.4Confident72.2Confident89 Ų8998.4 Ų98.441%0.41250%0.496SS..Hα-helixtrans-62-48.6176.3-93.9-53000112.4S10 I11 F12 F18S10-H14 WeakPolarHBondContact O-CB 3.41Å; S10-H14 PolarHBondContact O-CD2 2.99Å; S10-H14 PolarHBondContact O-N 3.04Å; I11-H14 WeakPolarHBondContact O-CB 3.4Å; I11-H14 PolarHBondContact O-N 3.36Å; I11-H14 VanDerWaalsContact O-N 3.15Å; F12-H14 VanDerWaalsContact C-N 3.29Å; F12-H14 PolarHBondContact O-N 2.82Å; H14-F18 AromaticContact ND1-CD2 3.63Å; H14-F18 CarbonylContact O-C 3.54Å; H14-F18 WeakPolarHBondContact O-CA 3.45Å; H14-F18 WeakPolarHBondContact O-CB 3.44Å; H14-F18 PolarHBondContact O-N 2.78Å
15I78.5Confident71.2Confident122 Ų12297.7 Ų97.763%0.62650%0.503SS*.Hα-helixtrans-63-44.3178.8-65.7168.6000110.5I11 F12I11-I15 HydrophobicContact CG2-CD1 3.79Å; I11-I15 HydrophobicContact CG2-CG1 4.45Å; I11-I15 WeakPolarHBondContact O-CG1 3.29Å; I11-I15 PolarHBondContact O-N 3.33Å; F12-I15 PolarHBondContact O-N 3.11Å
16A78.8Confident70.8Confident46 Ų4697 Ų9738%0.3851%0.51SS..Hα-helixtrans-75.7-40.5-174.400000113.9F12 L13 F84F12-A16 HydrophobicContact CE1-CB 4.44Å; F12-A16 HydrophobicContact CZ-CB 4.4Å; F12-A16 VanDerWaalsContact O-CB 3.26Å; F12-A16 WeakPolarHBondContact O-CB 3.17Å; F12-A16 PolarHBondContact O-N 2.86Å; L13-A16 PolarHBondContact O-N 3.43Å; A16-F84 HydrophobicContact CB-CE2 4.27Å; A16-F84 HydrophobicContact CB-CZ 4.09Å
17L76.4Confident70.9Confident45 Ų4597.9 Ų97.924%0.23653%0.526CS..Hα-helixtrans-95.1-19.2-174.8-63.2173.4000113.4L13 P19 F84 P85L13-L17 HydrophobicContact CB-CD1 4.4Å; L13-L17 HydrophobicContact CD2-CD1 4.07Å; L13-L17 WeakPolarHBondContact O-CB 3.24Å; L13-L17 WeakPolarHBondContact O-CG 3.37Å; L13-L17 PolarHBondContact O-N 2.68Å; L17-P19 VanDerWaalsContact C-CD 3.45Å; L17-F84 HydrophobicContact CD1-CE2 3.97Å; L17-F84 HydrophobicContact CD2-CE1 4.41Å; L17-F84 HydrophobicContact CD2-CE2 3.49Å; L17-F84 VanDerWaalsContact CD2-CE2 3.49Å; L17-F84 HydrophobicContact CD2-CZ 3.4Å; L17-F84 HydrophobicContact CG-CE2 3.62Å; L17-F84 HydrophobicContact CG-CZ 3.95Å; L17-P85 HydrophobicContact CD2-CB 3.89Å
18F68.1Low71.3Confident34 Ų3494.3 Ų94.315%0.14951%0.512CS..  trans-134.550.9-174.4-56.3-67.4000113.2H14 S20 R21 S55H14-F18 AromaticContact ND1-CD2 3.63Å; H14-F18 CarbonylContact O-C 3.54Å; H14-F18 WeakPolarHBondContact O-CA 3.45Å; H14-F18 WeakPolarHBondContact O-CB 3.44Å; H14-F18 PolarHBondContact O-N 2.78Å; F18-S20 PolarHBondContact O-N 3.18Å; F18-R21 HydrophobicContact CB-CB 4.15Å; F18-R21 HydrophobicContact CB-CG 4.41Å; F18-R21 HydrophobicContact CD1-CB 4.47Å; F18-R21 VanDerWaalsContact CD1-CD 3.49Å; F18-R21 HydrophobicContact CD1-CG 4.04Å; F18-R21 PolarHBondContact O-N 2.99Å; F18-S55 VanDerWaalsContact CZ-CA 3.47Å
19P60.3Low71.9Confident105 Ų10590.7 Ų90.768%0.68249%0.494SS*.THydrogen-bonded Turntrans-59.5-19.4-178.425-34000113.2L17L17-P19 VanDerWaalsContact C-CD 3.45Å
20S55.7Low72.6Confident114 Ų11489.7 Ų89.780%0.79749%0.493SS*.THydrogen-bonded Turntrans-120.85.1-175.5-41.10000115.2F18 F22F18-S20 PolarHBondContact O-N 3.18Å; S20-F22 PolarHBondContact O-N 2.99Å
21R51.3Low73.5Confident167 Ų16787.2 Ų87.263%0.6348%0.476SS*.  trans-94.958179.5-63.2-166.1-177.4174.1-4.3112.7F18 G23F18-R21 HydrophobicContact CB-CB 4.15Å; F18-R21 HydrophobicContact CB-CG 4.41Å; F18-R21 HydrophobicContact CD1-CB 4.47Å; F18-R21 VanDerWaalsContact CD1-CD 3.49Å; F18-R21 HydrophobicContact CD1-CG 4.04Å; F18-R21 PolarHBondContact O-N 2.99Å; R21-G23 PolarHBondContact O-N 2.93Å
22F49Very low74.2Confident228 Ų22883.3 Ų83.3100%146%0.458SS*.  trans-76.169.8152.3-108.8-93.3000107.9S20S20-F22 PolarHBondContact O-N 2.99Å
23G47.2Very low74.8Confident52 Ų5279.7 Ų79.754%0.53644%0.443SS..SBendtrans165100.6-176.500000113.2R21R21-G23 PolarHBondContact O-N 2.93Å
24K47.8Very low75.6Confident198 Ų19878.9 Ų78.986%0.86144%0.439SS*.  trans67.688.4170.5-56.1-176.8-179.1179.30115.3A26K24-A26 PolarHBondContact O-N 3.24Å
25T62.3Low76.7Confident120 Ų12074.7 Ų74.774%0.73642%0.419SS*.  trans-70.9101.5154.845.80000108.2
26A72.1Confident77.6Confident73 Ų7370.4 Ų70.460%0.60340%0.398SS*.  trans-56.6143.4161.300000108.4K24 Q28K24-A26 PolarHBondContact O-N 3.24Å; A26-Q28 PolarHBondContact O-N 2.92Å
27P85.8Confident78.6Confident98 Ų9869.2 Ų69.264%0.63639%0.387SS*.  trans-56.4130.317622.3-30.7000109.4V139P27-V139 HydrophobicContact CB-CB 4.21Å; P27-V139 HydrophobicContact CB-CG1 4.27Å; P27-V139 HydrophobicContact CG-CB 4.35Å
28Q91.8Very high79.6Confident70 Ų7067.1 Ų67.133%0.32738%0.376SS..  trans-106134.2179.1-71.5171.4-29.900108.9A26 S55A26-Q28 PolarHBondContact O-N 2.92Å; Q28-S55 VanDerWaalsContact NE2-C 3.33Å; Q28-S55 PolarHBondContact NE2-O 3.12Å
29P96.8Very high81Confident7 Ų765.5 Ų65.55%0.04537%0.369CS..  trans-68.9161.2175.927.1-30.5000110.6E33 V34 S56 I57 H58 T137 V139 V142P29-E33 HydrophobicContact CB-CB 4.48Å; P29-E33 HydrophobicContact CB-CG 4.49Å; P29-E33 WeakPolarHBondContact CB-OE2 3.47Å; P29-V34 HydrophobicContact CB-CG2 4.28Å; P29-V34 HydrophobicContact CG-CG2 3.82Å; P29-S56 WeakPolarHBondContact CD-O 3.43Å; P29-I57 HydrophobicContact CG-CG2 4.47Å; P29-I57 CarbonylContact O-C 3.5Å; P29-I57 WeakPolarHBondContact O-CA 3.39Å; P29-H58 PolarHBondContact O-N 3.23Å; P29-T137 HydrophobicContact CB-CG2 3.99Å; P29-T137 HydrophobicContact CG-CG2 3.89Å; P29-V139 HydrophobicContact CB-CG2 3.74Å; P29-V139 VanDerWaalsContact CD-CG2 3.44Å; P29-V139 HydrophobicContact CG-CG2 4Å; P29-V139 VanDerWaalsContact N-CG2 3.35Å; P29-V142 HydrophobicContact CG-CG2 3.47Å; P29-V142 VanDerWaalsContact CG-CG2 3.47Å
30A97.6Very high82.8Confident26 Ų2664 Ų6422%0.21535%0.353CS..BIsolated β-bridgetrans-67149.4171.200000110.7S32 E33 V34A30-S32 WeakPolarHBondContact CB-OG 3.36Å; A30-S32 PolarHBondContact O-N 3.28Å; A30-E33 HydrophobicContact CB-CB 4.15Å; A30-E33 WeakPolarHBondContact O-CB 3.5Å; A30-E33 PolarHBondContact O-N 2.87Å; A30-E33 VanDerWaalsContact O-N 3.09Å; A30-V34 PolarHBondContact O-N 2.91Å; A30-V34 VanDerWaalsContact O-N 3.09Å
31A97.7Very high84.7Confident0 Ų062.6 Ų62.60%033%0.334CS..Hα-helixtrans-62.5-35.8175.400000111.2E33 V34 L35 I57 H58 D60 Y89A31-E33 VanDerWaalsContact C-N 3.34Å; A31-V34 PolarHBondContact O-N 3.07Å; A31-L35 WeakPolarHBondContact O-CB 3.39Å; A31-L35 PolarHBondContact O-N 3.09Å; A31-I57 HydrophobicContact CB-CD1 3.63Å; A31-H58 PolarHBondContact N-O 3.04Å; A31-D60 WeakPolarHBondContact CB-OD1 3.29Å; A31-D60 PolarHBondContact N-OD1 2.9Å; A31-D60 VanDerWaalsContact N-OD1 3.07Å; A31-Y89 WeakPolarHBondContact CB-OH 3.08Å
32S98.1Very high86.7Confident18 Ų1857 Ų5713%0.12631%0.313CS..Hα-helixtrans-59.8-38.3170.754.80000114.2A30 T36 D60 W69A30-S32 WeakPolarHBondContact CB-OG 3.36Å; A30-S32 PolarHBondContact O-N 3.28Å; S32-T36 WeakPolarHBondContact O-CB 3.19Å; S32-T36 PolarHBondContact O-N 2.6Å; S32-T36 PolarHBondContact O-OG1 2.75Å; S32-D60 WeakPolarHBondContact CB-OD2 3.25Å; S32-D60 PolarHBondContact N-OD1 2.85Å; S32-D60 VanDerWaalsContact N-OD1 3.14Å; S32-D60 PolarHBondContact OG-OD2 3.43Å; S32-W69 VanDerWaalsContact CB-CZ2 3.5Å
33E98.3Very high88.9Confident44 Ų4456.7 Ų56.721%0.20631%0.305CS..Hα-helixtrans-67.5-49.6177.3-178.2-177.2-176.900110.1P29 A30 A31 L35 T36 C37 S138P29-E33 HydrophobicContact CB-CB 4.48Å; P29-E33 HydrophobicContact CB-CG 4.49Å; P29-E33 WeakPolarHBondContact CB-OE2 3.47Å; A30-E33 HydrophobicContact CB-CB 4.15Å; A30-E33 WeakPolarHBondContact O-CB 3.5Å; A30-E33 PolarHBondContact O-N 2.87Å; A30-E33 VanDerWaalsContact O-N 3.09Å; A31-E33 VanDerWaalsContact C-N 3.34Å; E33-L35 VanDerWaalsContact C-N 3.29Å; E33-L35 PolarHBondContact O-N 3.44Å; E33-T36 PolarHBondContact O-N 3.23Å; E33-C37 WeakPolarHBondContact O-CB 3.48Å; E33-C37 PolarHBondContact O-N 2.88Å; E33-C37 PolarHBondContact O-SG 3.47Å; E33-C37 VanDerWaalsContact O-SG 3.38Å; E33-S138 WeakPolarHBondContact OE1-CB 3.06Å; E33-S138 PolarHBondContact OE1-N 3.24Å; E33-S138 PolarHBondContact OE1-OG 3.14Å; E33-S138 PolarHBondContact OE2-OG 3.11Å
34V98.4Very high91.2Very high1 Ų155.6 Ų55.61%0.00629%0.286CS..Hα-helixtrans-56.1-45175.7175.70000111P29 A30 A31 T36 H38 F50 V52 I57 V135 T137 V142 V144P29-V34 HydrophobicContact CB-CG2 4.28Å; P29-V34 HydrophobicContact CG-CG2 3.82Å; A30-V34 PolarHBondContact O-N 2.91Å; A30-V34 VanDerWaalsContact O-N 3.09Å; A31-V34 PolarHBondContact O-N 3.07Å; V34-T36 VanDerWaalsContact C-N 3.34Å; V34-T36 PolarHBondContact O-N 3.09Å; V34-H38 WeakPolarHBondContact O-CB 3.33Å; V34-H38 PolarHBondContact O-N 2.79Å; V34-F50 HydrophobicContact CG1-CE2 4.47Å; V34-V52 HydrophobicContact CG1-CG2 4.36Å; V34-I57 HydrophobicContact CB-CG2 4.46Å; V34-I57 HydrophobicContact CG2-CG2 3.61Å; V34-V135 HydrophobicContact CG1-CG1 4.42Å; V34-T137 HydrophobicContact CG2-CG2 3.92Å; V34-V142 HydrophobicContact CG1-CG1 4.38Å; V34-V142 HydrophobicContact CG2-CB 4.27Å; V34-V142 HydrophobicContact CG2-CG1 4.17Å; V34-V142 HydrophobicContact CG2-CG2 4.17Å; V34-V144 HydrophobicContact CG1-CG1 3.96Å
35L98.6Very high93.5Very high0 Ų046.6 Ų46.60%025%0.249CC..Hα-helixtrans-57.8-45.7175172.862.3000112A31 E33 L39 F50 W69 I78 Y89 C91A31-L35 WeakPolarHBondContact O-CB 3.39Å; A31-L35 PolarHBondContact O-N 3.09Å; E33-L35 VanDerWaalsContact C-N 3.29Å; E33-L35 PolarHBondContact O-N 3.44Å; L35-L39 HydrophobicContact CD1-CD1 3.88Å; L35-L39 HydrophobicContact CD1-CG 4.23Å; L35-L39 HydrophobicContact CG-CD1 4.22Å; L35-L39 VanDerWaalsContact O-CG 3.29Å; L35-L39 WeakPolarHBondContact O-CG 3.45Å; L35-L39 PolarHBondContact O-N 3.44Å; L35-L39 VanDerWaalsContact O-N 3.11Å; L35-F50 HydrophobicContact CD1-CE1 4.09Å; L35-F50 HydrophobicContact CD1-CZ 3.97Å; L35-W69 HydrophobicContact CD2-CB 4.3Å; L35-W69 HydrophobicContact CD2-CD2 3.77Å; L35-W69 HydrophobicContact CD2-CG 3.61Å; L35-W69 HydrophobicContact CG-CG 4.35Å; L35-I78 HydrophobicContact CD1-CD1 4.06Å; L35-I78 HydrophobicContact CD2-CD1 4.1Å; L35-I78 HydrophobicContact CD2-CG1 4.14Å; L35-I78 HydrophobicContact CD2-CG2 4.49Å; L35-Y89 HydrophobicContact CB-CE1 4.46Å; L35-Y89 HydrophobicContact CD1-CD1 4.06Å; L35-Y89 HydrophobicContact CD1-CE1 4.47Å; L35-Y89 HydrophobicContact CD2-CD1 4.3Å; L35-Y89 HydrophobicContact CD2-CE1 4.06Å; L35-C91 VanDerWaalsContact CD1-SG 3.57Å
36T98.6Very high95.1Very high32 Ų3242.5 Ų42.520%0.19622%0.224CC..Hα-helixtrans-66.5-50.4-178.7-59.10000111.4S32 E33 V34 H38 L39 Q40 W69 V71S32-T36 WeakPolarHBondContact O-CB 3.19Å; S32-T36 PolarHBondContact O-N 2.6Å; S32-T36 PolarHBondContact O-OG1 2.75Å; E33-T36 PolarHBondContact O-N 3.23Å; V34-T36 VanDerWaalsContact C-N 3.34Å; V34-T36 PolarHBondContact O-N 3.09Å; T36-H38 VanDerWaalsContact C-N 3.33Å; T36-H38 PolarHBondContact O-N 2.97Å; T36-L39 PolarHBondContact O-N 2.97Å; T36-Q40 WeakPolarHBondContact O-CB 3.46Å; T36-Q40 VanDerWaalsContact O-CG 3.27Å; T36-Q40 WeakPolarHBondContact O-CG 3.29Å; T36-Q40 PolarHBondContact O-N 3.32Å; T36-W69 WeakPolarHBondContact OG1-CZ2 3.18Å; T36-W69 PolarHBondContact OG1-NE1 3.36Å; T36-V71 HydrophobicContact CG2-CG1 4.03Å; T36-V71 HydrophobicContact CG2-CG2 4.14Å
37C98.3Very high96.3Very high21 Ų2141.2 Ų41.214%0.14220%0.204CC..Hα-helixtrans-60.8-41.6178.2-67.90000111.5E33 Q40 Q41 V135 Q136E33-C37 WeakPolarHBondContact O-CB 3.48Å; E33-C37 PolarHBondContact O-N 2.88Å; E33-C37 PolarHBondContact O-SG 3.47Å; E33-C37 VanDerWaalsContact O-SG 3.38Å; C37-Q40 PolarHBondContact O-N 2.84Å; C37-Q41 VanDerWaalsContact O-CB 3.32Å; C37-Q41 WeakPolarHBondContact O-CB 3.29Å; C37-Q41 VanDerWaalsContact O-CG 3.29Å; C37-Q41 WeakPolarHBondContact O-CG 3.17Å; C37-Q41 PolarHBondContact O-N 3.01Å; C37-V135 HydrophobicContact CB-CG1 3.41Å; C37-V135 VanDerWaalsContact CB-CG1 3.41Å; C37-Q136 WeakPolarHBondContact CB-O 3.26Å; C37-Q136 PolarHBondContact SG-O 2.88Å; C37-Q136 VanDerWaalsContact SG-O 3.37Å
38H97.7Very high96.7Very high1 Ų136.6 Ų36.61%0.00517%0.173CC..Hα-helixtrans-57.8-53.1175.6-179.960000111.7V34 T36 Q40 Q41 R42 T48 F50 V135 F146V34-H38 WeakPolarHBondContact O-CB 3.33Å; V34-H38 PolarHBondContact O-N 2.79Å; T36-H38 VanDerWaalsContact C-N 3.33Å; T36-H38 PolarHBondContact O-N 2.97Å; H38-Q40 VanDerWaalsContact C-N 3.31Å; H38-Q40 PolarHBondContact O-N 3.14Å; H38-Q41 PolarHBondContact O-N 2.53Å; H38-R42 WeakPolarHBondContact O-CG 3.28Å; H38-R42 PolarHBondContact O-N 3.3Å; H38-R42 VanDerWaalsContact O-N 3.09Å; H38-T48 PolarHBondContact NE2-OG1 3.17Å; H38-F50 HydrophobicContact CB-CE1 4.47Å; H38-F50 HydrophobicContact CB-CZ 4.36Å; H38-F50 AromaticContact CD2-CD1 3.33Å; H38-F50 WeakPolarHBondContact CD2-CD1 3.27Å; H38-F50 AromaticContact CD2-CE1 3.27Å; H38-F50 WeakPolarHBondContact CD2-CE1 3.5Å; H38-F50 AromaticContact CD2-CZ 3.99Å; H38-F50 AromaticContact CG-CE1 3.99Å; H38-F50 AromaticContact NE2-CD1 3.48Å; H38-F50 WeakPolarHBondContact NE2-CD1 3.37Å; H38-F50 AromaticContact NE2-CE1 3.93Å; H38-V135 HydrophobicContact CB-CG1 4.37Å; H38-V135 HydrophobicContact CB-CG2 3.93Å; H38-F146 AromaticContact CE1-CZ 3.71Å
39L97.7Very high96.9Very high0 Ų033.6 Ų33.60%016%0.16CC..Hα-helixtrans-61.4-39.5-180-69.1171.9000112.1L35 T36 R43 L44 T48 V71 Y76 C91L35-L39 HydrophobicContact CD1-CD1 3.88Å; L35-L39 HydrophobicContact CD1-CG 4.23Å; L35-L39 HydrophobicContact CG-CD1 4.22Å; L35-L39 VanDerWaalsContact O-CG 3.29Å; L35-L39 WeakPolarHBondContact O-CG 3.45Å; L35-L39 PolarHBondContact O-N 3.44Å; L35-L39 VanDerWaalsContact O-N 3.11Å; T36-L39 PolarHBondContact O-N 2.97Å; L39-R43 PolarHBondContact O-N 2.99Å; L39-L44 WeakPolarHBondContact O-CA 3.46Å; L39-L44 PolarHBondContact O-N 3Å; L39-T48 HydrophobicContact CD2-CG2 3.73Å; L39-V71 HydrophobicContact CD1-CG2 4.03Å; L39-Y76 HydrophobicContact CD1-CD1 4.47Å; L39-Y76 HydrophobicContact CD1-CD2 3.84Å; L39-Y76 HydrophobicContact CD1-CE2 4.13Å; L39-Y76 HydrophobicContact CD1-CG 4.04Å; L39-Y76 HydrophobicContact CD2-CD1 4.08Å; L39-Y76 HydrophobicContact CD2-CE1 3.81Å; L39-Y76 HydrophobicContact CD2-CE2 4.33Å; L39-Y76 HydrophobicContact CD2-CG 4.46Å; L39-C91 HydrophobicContact CD2-CB 4.07Å
40Q97.3Very high96.9Very high73 Ų7333.2 Ų33.234%0.34116%0.158SC..Hα-helixtrans-67.6-46.9177.3-71.2176.5-20.900112.3T36 C37 H38 R42 R43 V71 Q72T36-Q40 WeakPolarHBondContact O-CB 3.46Å; T36-Q40 VanDerWaalsContact O-CG 3.27Å; T36-Q40 WeakPolarHBondContact O-CG 3.29Å; T36-Q40 PolarHBondContact O-N 3.32Å; C37-Q40 PolarHBondContact O-N 2.84Å; H38-Q40 VanDerWaalsContact C-N 3.31Å; H38-Q40 PolarHBondContact O-N 3.14Å; Q40-R42 PolarHBondContact O-N 2.84Å; Q40-R43 WeakPolarHBondContact O-CA 3.4Å; Q40-R43 PolarHBondContact O-N 2.87Å; Q40-V71 HydrophobicContact CG-CG1 3.57Å; Q40-Q72 HydrophobicContact CG-CG 4.29Å; Q40-Q72 VanDerWaalsContact NE2-NE2 3.16Å
41Q95.7Very high96.9Very high85 Ų8532.2 Ų32.240%0.39715%0.149SC..Hα-helixtrans-59.3-37179.1-81.4177.9-148.400112.3C37 H38 R43 T134C37-Q41 VanDerWaalsContact O-CB 3.32Å; C37-Q41 WeakPolarHBondContact O-CB 3.29Å; C37-Q41 VanDerWaalsContact O-CG 3.29Å; C37-Q41 WeakPolarHBondContact O-CG 3.17Å; C37-Q41 PolarHBondContact O-N 3.01Å; H38-Q41 PolarHBondContact O-N 2.53Å; Q41-R43 PolarHBondContact O-N 2.81Å; Q41-T134 PolarHBondContact NE2-O 3.06Å
42R93.8Very high96.8Very high51 Ų5132.2 Ų32.219%0.19215%0.149CC..THydrogen-bonded Turntrans-84.816.1176.6-56.1-137.6-49.6176.120.6113.7H38 Q40 L44 P45 W47 T48 E150H38-R42 WeakPolarHBondContact O-CG 3.28Å; H38-R42 PolarHBondContact O-N 3.3Å; H38-R42 VanDerWaalsContact O-N 3.09Å; Q40-R42 PolarHBondContact O-N 2.84Å; R42-L44 VanDerWaalsContact C-N 3.3Å; R42-L44 PolarHBondContact O-N 2.86Å; R42-P45 HydrophobicContact CB-CG 4Å; R42-P45 WeakPolarHBondContact O-CD 3.29Å; R42-W47 PolarHBondContact NH2-O 2.83Å; R42-T48 PolarHBondContact NH2-OG1 2.99Å; R42-E150 IonicContact CZ-OE2 3.05Å; R42-E150 IonicContact NH1-OE2 2.75Å; R42-E150 PolarHBondContact NH1-OE2 3.47Å; R42-E150 IonicContact NH2-OE2 2.6Å; R42-E150 PolarHBondContact NH2-OE2 3.05Å
43R95.6Very high96.7Very high221 Ų22136 Ų3683%0.83416%0.16SC*.THydrogen-bonded Turntrans56.241.7176.5-54.7177.9-175.2162.32.1113.1L39 Q40 Q41L39-R43 PolarHBondContact O-N 2.99Å; Q40-R43 WeakPolarHBondContact O-CA 3.4Å; Q40-R43 PolarHBondContact O-N 2.87Å; Q41-R43 PolarHBondContact O-N 2.81Å
44L96.3Very high96.4Very high28 Ų2834.8 Ų34.815%0.14715%0.154CC..SBendtrans5664177.5-50.3174.1000111.8L39 R42 V71 Q72 Y76 K93L39-L44 WeakPolarHBondContact O-CA 3.46Å; L39-L44 PolarHBondContact O-N 3Å; R42-L44 VanDerWaalsContact C-N 3.3Å; R42-L44 PolarHBondContact O-N 2.86Å; L44-V71 HydrophobicContact CD2-CB 4.37Å; L44-V71 HydrophobicContact CD2-CG1 3.86Å; L44-Q72 HydrophobicContact CD1-CB 4.07Å; L44-Y76 WeakPolarHBondContact CA-OH 3.46Å; L44-Y76 WeakPolarHBondContact CB-OH 3.41Å; L44-Y76 PolarHBondContact O-OH 3.31Å; L44-K93 PolarHBondContact O-NZ 3.38Å
45P95.7Very high96.2Very high10 Ų1036.1 Ų36.17%0.06516%0.164CC..  trans-63.5157.6-176.331-36.1000111R42 W47 T48 Y76R42-P45 HydrophobicContact CB-CG 4Å; R42-P45 WeakPolarHBondContact O-CD 3.29Å; P45-W47 PolarHBondContact O-N 2.77Å; P45-T48 HydrophobicContact CG-CG2 4.37Å; P45-Y76 VanDerWaalsContact O-CE1 3.24Å; P45-Y76 WeakPolarHBondContact O-CE1 3.22Å; P45-Y76 PolarHBondContact O-OH 3.15Å
46P95.8Very high96Very high34 Ų3437.8 Ų37.822%0.22118%0.175CC..SBendtrans-62.2-36.5174.13.82.6000111.4K93 A154P46-K93 VanDerWaalsContact O-CB 3.29Å; P46-K93 WeakPolarHBondContact O-CB 3.35Å; P46-K93 PolarHBondContact O-N 2.94Å; P46-A154 WeakPolarHBondContact CG-O 3.45Å
47W95.9Very high95.8Very high46 Ų4636.6 Ų36.617%0.17417%0.168CC..EExtended strand (participates in β ladder)trans-144.4151.7179.4-178.993000112.3R42 P45 S49 C91 E150 Y156R42-W47 PolarHBondContact NH2-O 2.83Å; P45-W47 PolarHBondContact O-N 2.77Å; W47-S49 VanDerWaalsContact CZ2-CB 3.44Å; W47-C91 CarbonylContact C-O 3.53Å; W47-C91 VanDerWaalsContact CA-O 3.29Å; W47-C91 WeakPolarHBondContact CA-O 3.43Å; W47-E150 HydrophobicContact CZ3-CG 4.27Å; W47-E150 WeakPolarHBondContact CZ3-OE1 3.49Å; W47-Y156 WeakPolarHBondContact CZ2-OXT 3.31Å
48T96.3Very high95.6Very high0 Ų040.6 Ų40.60%018%0.184CC..EExtended strand (participates in β ladder)trans-159.9150.7167.8-173.70000112.4H38 L39 R42 P45 F50 C91 E150H38-T48 PolarHBondContact NE2-OG1 3.17Å; L39-T48 HydrophobicContact CD2-CG2 3.73Å; R42-T48 PolarHBondContact NH2-OG1 2.99Å; P45-T48 HydrophobicContact CG-CG2 4.37Å; T48-F50 HydrophobicContact CG2-CD1 4.43Å; T48-C91 HydrophobicContact CG2-CB 3.65Å; T48-C91 PolarHBondContact N-O 3.18Å; T48-C91 PolarHBondContact O-N 3.12Å; T48-E150 PolarHBondContact OG1-OE2 2.76Å
49S95.3Very high95.4Very high7 Ų741.4 Ų41.45%0.04919%0.188CC..  trans-141.5100.2-179.5-174.30000113.6W47 K88 Y89 H90 F146 E150W47-S49 VanDerWaalsContact CZ2-CB 3.44Å; S49-K88 PolarHBondContact O-NZ 2.8Å; S49-K88 WeakPolarHBondContact OG-CE 3.42Å; S49-K88 PolarHBondContact OG-NZ 3.04Å; S49-Y89 CarbonylContact C-O 3.51Å; S49-Y89 VanDerWaalsContact CA-O 3.25Å; S49-Y89 WeakPolarHBondContact CA-O 3.12Å; S49-Y89 PolarHBondContact OG-O 3.38Å; S49-H90 PolarHBondContact OG-CE1 2.75Å; S49-H90 PolarHBondContact OG-ND1 2.84Å; S49-H90 PolarHBondContact OG-NE2 3.48Å; S49-F146 WeakPolarHBondContact O-CD1 3.41Å; S49-E150 WeakPolarHBondContact CA-OE1 3.41Å; S49-E150 PolarHBondContact N-OE1 2.96Å
50F96.4Very high95.3Very high0 Ų044.1 Ų44.10%020%0.203CC..  trans-126.1158.7-174.968.3-82.7000113.2V34 L35 H38 T48 Y89 V144 Y145 F146V34-F50 HydrophobicContact CG1-CE2 4.47Å; L35-F50 HydrophobicContact CD1-CE1 4.09Å; L35-F50 HydrophobicContact CD1-CZ 3.97Å; H38-F50 HydrophobicContact CB-CE1 4.47Å; H38-F50 HydrophobicContact CB-CZ 4.36Å; H38-F50 AromaticContact CD2-CD1 3.33Å; H38-F50 WeakPolarHBondContact CD2-CD1 3.27Å; H38-F50 AromaticContact CD2-CE1 3.27Å; H38-F50 WeakPolarHBondContact CD2-CE1 3.5Å; H38-F50 AromaticContact CD2-CZ 3.99Å; H38-F50 AromaticContact CG-CE1 3.99Å; H38-F50 AromaticContact NE2-CD1 3.48Å; H38-F50 WeakPolarHBondContact NE2-CD1 3.37Å; H38-F50 AromaticContact NE2-CE1 3.93Å; T48-F50 HydrophobicContact CG2-CD1 4.43Å; F50-Y89 HydrophobicContact CD2-CD2 4.3Å; F50-Y89 HydrophobicContact CE1-CD2 4.4Å; F50-Y89 HydrophobicContact CE1-CG 4.07Å; F50-Y89 AromaticContact CE2-CD2 3.62Å; F50-Y89 HydrophobicContact CE2-CD2 3.62Å; F50-Y89 HydrophobicContact CE2-CE2 4.26Å; F50-Y89 HydrophobicContact CE2-CG 4.11Å; F50-Y89 HydrophobicContact CZ-CD1 4.43Å; F50-Y89 AromaticContact CZ-CD2 3.67Å; F50-Y89 HydrophobicContact CZ-CD2 3.67Å; F50-Y89 HydrophobicContact CZ-CE2 4.41Å; F50-Y89 AromaticContact CZ-CG 3.69Å; F50-Y89 HydrophobicContact CZ-CG 3.69Å; F50-Y89 PolarHBondContact N-O 3.12Å; F50-Y89 VanDerWaalsContact N-O 3.12Å; F50-Y89 PolarHBondContact O-N 3.44Å; F50-V144 HydrophobicContact CB-CB 4.32Å; F50-V144 HydrophobicContact CD2-CB 3.86Å; F50-V144 HydrophobicContact CD2-CG1 3.72Å; F50-V144 HydrophobicContact CE2-CG1 4.09Å; F50-V144 HydrophobicContact CG-CB 4.43Å; F50-Y145 CarbonylContact C-O 3.55Å; F50-Y145 WeakPolarHBondContact CA-O 3.25Å; F50-F146 HydrophobicContact CB-CD1 4.01Å; F50-F146 HydrophobicContact CB-CE1 3.57Å; F50-F146 HydrophobicContact CB-CZ 3.88Å
51C96.8Very high95.3Very high4 Ų440.9 Ų40.93%0.02719%0.188CC..EExtended strand (participates in β ladder)trans-108.9142171.4-67.60000109.7F86 V87 K88 V144 Y145C51-F86 HydrophobicContact CB-CB 4.09Å; C51-F86 HydrophobicContact CB-CD1 4.09Å; C51-F86 HydrophobicContact CB-CG 4.16Å; C51-V87 CarbonylContact C-O 3.47Å; C51-V87 VanDerWaalsContact CA-O 3.29Å; C51-V87 WeakPolarHBondContact CA-O 3.46Å; C51-K88 WeakPolarHBondContact SG-CD 3.45Å; C51-V144 CarbonylContact O-C 3.51Å; C51-V144 VanDerWaalsContact O-CA 3.31Å; C51-V144 WeakPolarHBondContact O-CA 3.25Å; C51-Y145 PolarHBondContact N-O 3.42Å; C51-Y145 PolarHBondContact O-N 3.03Å
52V96.8Very high95.2Very high0 Ų038.8 Ų38.80%018%0.177CC..EExtended strand (participates in β ladder)trans-126.3138.1168.860.10000109.3V34 I57 F86 V87 Y89 V142 V144V34-V52 HydrophobicContact CG1-CG2 4.36Å; V52-I57 HydrophobicContact CG1-CD1 3.7Å; V52-I57 HydrophobicContact CG1-CG1 4.48Å; V52-I57 HydrophobicContact CG2-CD1 4.41Å; V52-I57 HydrophobicContact CG2-CG1 4.35Å; V52-I57 HydrophobicContact CG2-CG2 3.7Å; V52-F86 CarbonylContact O-C 3.43Å; V52-F86 VanDerWaalsContact O-CA 3.24Å; V52-F86 WeakPolarHBondContact O-CA 3.35Å; V52-V87 HydrophobicContact CG1-CB 4Å; V52-V87 PolarHBondContact N-O 2.91Å; V52-V87 PolarHBondContact O-N 2.89Å; V52-Y89 HydrophobicContact CG1-CD2 4.41Å; V52-Y89 HydrophobicContact CG1-CE2 3.86Å; V52-V142 HydrophobicContact CG2-CG1 3.75Å; V52-V144 HydrophobicContact CB-CG1 4.39Å
53R95.1Very high95Very high97 Ų9737.6 Ų37.637%0.36618%0.181SC..EExtended strand (participates in β ladder)trans-69136.6179.6-73.2-177.6-174.8-1622.3110.3S55 S56 I57 F86 Y145R53-S55 PolarHBondContact O-N 2.84Å; R53-S55 VanDerWaalsContact O-N 3.15Å; R53-S56 PolarHBondContact O-N 3Å; R53-I57 WeakPolarHBondContact O-CG1 3.38Å; R53-F86 HydrophobicContact CB-CD1 4.39Å; R53-F86 HydrophobicContact CG-CD1 3.61Å; R53-F86 HydrophobicContact CG-CE1 3.39Å; R53-F86 HydrophobicContact CG-CZ 4.43Å; R53-Y145 HydrophobicContact CG-CE2 3.84Å; R53-Y145 PolarHBondContact NE-OH 2.93Å; R53-Y145 VanDerWaalsContact NE-OH 3.15Å
54Y93.6Very high95Very high19 Ų1929.6 Ų29.68%0.07516%0.155CC..G310 helixtrans-54.7-33.7170.9-82.3-61.4000112.6H9 L13 S56 I57 G82 F84 P85 F86 V87H9-Y54 AromaticContact NE2-CE1 3.92Å; H9-Y54 AromaticContact NE2-CZ 3.92Å; L13-Y54 HydrophobicContact CD1-CD1 3.57Å; L13-Y54 HydrophobicContact CD1-CD2 4.28Å; L13-Y54 HydrophobicContact CD1-CE1 3.99Å; L13-Y54 HydrophobicContact CD1-CG 3.74Å; L13-Y54 HydrophobicContact CD2-CD2 3.81Å; L13-Y54 HydrophobicContact CD2-CE2 4.24Å; L13-Y54 HydrophobicContact CD2-CG 4Å; Y54-S56 PolarHBondContact O-N 2.73Å; Y54-S56 VanDerWaalsContact O-N 3.17Å; Y54-I57 PolarHBondContact O-N 2.93Å; Y54-G82 WeakPolarHBondContact OH-CA 3.4Å; Y54-F84 HydrophobicContact CD2-CD2 4.43Å; Y54-P85 WeakPolarHBondContact CD2-O 2.87Å; Y54-P85 PolarHBondContact N-O 2.91Å; Y54-F86 WeakPolarHBondContact CE2-O 3.44Å; Y54-V87 HydrophobicContact CD1-CG2 3.69Å; Y54-V87 HydrophobicContact CE1-CG2 3.17Å; Y54-V87 HydrophobicContact CE2-CG2 4.26Å; Y54-V87 HydrophobicContact CG-CG2 4.4Å
55S92.4Very high95Very high30 Ų3028.3 Ų28.321%0.2115%0.148CC..G310 helixtrans-70-4.717952.50000114.9F18 Q28 R53F18-S55 VanDerWaalsContact CZ-CA 3.47Å; Q28-S55 VanDerWaalsContact NE2-C 3.33Å; Q28-S55 PolarHBondContact NE2-O 3.12Å; R53-S55 PolarHBondContact O-N 2.84Å; R53-S55 VanDerWaalsContact O-N 3.15Å
56S94.2Very high95.1Very high35 Ų3528.9 Ų28.925%0.24515%0.15CC..G310 helixtrans-112.9-1.8-178.5-600000113.5P29 R53 Y54P29-S56 WeakPolarHBondContact CD-O 3.43Å; R53-S56 PolarHBondContact O-N 3Å; Y54-S56 PolarHBondContact O-N 2.73Å; Y54-S56 VanDerWaalsContact O-N 3.17Å
57I94.8Very high95.3Very high6 Ų628.3 Ų28.33%0.03115%0.145CC..SBendtrans-144.3153.7-172.352.5157.7000112.9P29 A31 V34 V52 R53 Y54 V87P29-I57 HydrophobicContact CG-CG2 4.47Å; P29-I57 CarbonylContact O-C 3.5Å; P29-I57 WeakPolarHBondContact O-CA 3.39Å; A31-I57 HydrophobicContact CB-CD1 3.63Å; V34-I57 HydrophobicContact CB-CG2 4.46Å; V34-I57 HydrophobicContact CG2-CG2 3.61Å; V52-I57 HydrophobicContact CG1-CD1 3.7Å; V52-I57 HydrophobicContact CG1-CG1 4.48Å; V52-I57 HydrophobicContact CG2-CD1 4.41Å; V52-I57 HydrophobicContact CG2-CG1 4.35Å; V52-I57 HydrophobicContact CG2-CG2 3.7Å; R53-I57 WeakPolarHBondContact O-CG1 3.38Å; Y54-I57 PolarHBondContact O-N 2.93Å; I57-V87 HydrophobicContact CD1-CG2 4.09Å
58H94.5Very high95.4Very high105 Ų10528.7 Ų28.749%0.48615%0.15SC..BIsolated β-bridgetrans-86.3119.8160.3-17574.5000110.2P29 A31 D60P29-H58 PolarHBondContact O-N 3.23Å; A31-H58 PolarHBondContact N-O 3.04Å; H58-D60 VanDerWaalsContact C-N 3.3Å; H58-D60 PolarHBondContact O-N 3.11Å
59N94.3Very high95.5Very high18 Ų1831.5 Ų31.510%0.09616%0.161CC..  trans-80.569.8-176.9-1737.6000112.8Q61 F62 R80N59-Q61 VanDerWaalsContact C-N 3.27Å; N59-Q61 PolarHBondContact O-N 3.32Å; N59-F62 WeakPolarHBondContact O-CB 3.5Å; N59-F62 PolarHBondContact O-N 2.93Å; N59-F62 PolarHBondContact OD1-N 2.63Å; N59-F62 VanDerWaalsContact OD1-N 3.15Å; N59-R80 PolarHBondContact OD1-NH1 2.81Å; N59-R80 PolarHBondContact OD1-NH2 2.85Å
60D95.9Very high95.6Very high58 Ų5840.3 Ų40.331%0.3119%0.193SC..THydrogen-bonded Turntrans-66.6-26.617666.9-37000113.2A31 S32 H58 F62A31-D60 WeakPolarHBondContact CB-OD1 3.29Å; A31-D60 PolarHBondContact N-OD1 2.9Å; A31-D60 VanDerWaalsContact N-OD1 3.07Å; S32-D60 WeakPolarHBondContact CB-OD2 3.25Å; S32-D60 PolarHBondContact N-OD1 2.85Å; S32-D60 VanDerWaalsContact N-OD1 3.14Å; S32-D60 PolarHBondContact OG-OD2 3.43Å; H58-D60 VanDerWaalsContact C-N 3.3Å; H58-D60 PolarHBondContact O-N 3.11Å; D60-F62 PolarHBondContact O-N 3.35Å
61Q96.1Very high95.7Very high5 Ų540.5 Ų40.52%0.02319%0.194CC..THydrogen-bonded Turntrans-84.616.4175.6-64.1174.1-37.200113.7N59 G63 L64 R80 Y89N59-Q61 VanDerWaalsContact C-N 3.27Å; N59-Q61 PolarHBondContact O-N 3.32Å; Q61-G63 PolarHBondContact O-N 3.31Å; Q61-L64 HydrophobicContact CB-CD1 4.3Å; Q61-L64 WeakPolarHBondContact O-CB 3.36Å; Q61-L64 PolarHBondContact O-N 3.3Å; Q61-L64 VanDerWaalsContact O-N 3.15Å; Q61-R80 VanDerWaalsContact C-NH1 3.3Å; Q61-R80 PolarHBondContact O-NH1 2.99Å; Q61-Y89 PolarHBondContact OE1-OH 2.87Å
62F93.1Very high95.6Very high40 Ų4046.4 Ų46.418%0.17522%0.221CC..THydrogen-bonded Turntrans-56.8132.9-177.1176.7-94.5000112.7K2 L5 R6 H9 N59 D60 L64K2-F62 WeakPolarHBondContact CE-O 3.43Å; L5-F62 HydrophobicContact CB-CE1 4.32Å; R6-F62 HydrophobicContact CB-CD1 3.62Å; R6-F62 HydrophobicContact CB-CE1 3.97Å; R6-F62 HydrophobicContact CB-CG 4.19Å; R6-F62 HydrophobicContact CG-CB 3.93Å; R6-F62 HydrophobicContact CG-CD1 3.85Å; R6-F62 HydrophobicContact CG-CG 3.91Å; H9-F62 HydrophobicContact CB-CE2 3.77Å; H9-F62 HydrophobicContact CB-CZ 4Å; H9-F62 AromaticContact CD2-CD2 3.52Å; H9-F62 AromaticContact CD2-CE2 3.3Å; H9-F62 WeakPolarHBondContact CD2-CE2 3.33Å; H9-F62 AromaticContact CG-CE2 3.5Å; H9-F62 VanDerWaalsContact CG-CE2 3.5Å; H9-F62 AromaticContact NE2-CE2 3.89Å; N59-F62 WeakPolarHBondContact O-CB 3.5Å; N59-F62 PolarHBondContact O-N 2.93Å; N59-F62 PolarHBondContact OD1-N 2.63Å; N59-F62 VanDerWaalsContact OD1-N 3.15Å; D60-F62 PolarHBondContact O-N 3.35Å; F62-L64 VanDerWaalsContact C-N 3.26Å; F62-L64 PolarHBondContact O-N 3.09Å
63G90.8Very high95.5Very high26 Ų2650.3 Ų50.327%0.26826%0.262SS..THydrogen-bonded Turntrans7218.5-179.700000113.9K2 Q61K2-G63 PolarHBondContact NZ-O 3.3Å; K2-G63 VanDerWaalsContact NZ-O 3.12Å; Q61-G63 PolarHBondContact O-N 3.31Å
64L95.8Very high95.7Very high53 Ų5346.9 Ų46.928%0.27725%0.252SS..  trans-100138.8160.5-61.4175.6000108.8Q61 F62 F67Q61-L64 HydrophobicContact CB-CD1 4.3Å; Q61-L64 WeakPolarHBondContact O-CB 3.36Å; Q61-L64 PolarHBondContact O-N 3.3Å; Q61-L64 VanDerWaalsContact O-N 3.15Å; F62-L64 VanDerWaalsContact C-N 3.26Å; F62-L64 PolarHBondContact O-N 3.09Å; L64-F67 HydrophobicContact CB-CD1 3.6Å; L64-F67 HydrophobicContact CB-CE1 3.7Å; L64-F67 HydrophobicContact CB-CG 4.45Å; L64-F67 HydrophobicContact CD1-CD1 4.19Å; L64-F67 HydrophobicContact CD1-CE1 4.29Å; L64-F67 HydrophobicContact CD1-CG 4.33Å; L64-F67 HydrophobicContact CG-CD1 4.43Å
65S96.3Very high95.9Very high1 Ų146.6 Ų46.61%0.00725%0.252CS..  trans-124.4-42.1-176.2-53.60000112L79 R80 D103 T107 K110S65-L79 WeakPolarHBondContact O-CA 3.41Å; S65-R80 WeakPolarHBondContact CA-O 3.26Å; S65-R80 PolarHBondContact O-N 3.44Å; S65-D103 WeakPolarHBondContact CA-OD1 3.41Å; S65-D103 WeakPolarHBondContact CB-OD1 3.47Å; S65-D103 PolarHBondContact N-OD1 3.38Å; S65-T107 PolarHBondContact OG-OG1 2.92Å; S65-K110 PolarHBondContact OG-NZ 3.49Å
66N97.9Very high96.2Very high22 Ų2245.2 Ų45.212%0.11824%0.242CC..EExtended strand (participates in β ladder)trans-139.6118.1176.2-1627.6000110.3I78 E102 D103 F106N66-I78 VanDerWaalsContact CA-O 3.27Å; N66-I78 WeakPolarHBondContact CA-O 3.28Å; N66-I78 PolarHBondContact OD1-O 3.15Å; N66-E102 HydrophobicContact CB-CB 4.1Å; N66-E102 VanDerWaalsContact ND2-CB 3.32Å; N66-E102 WeakPolarHBondContact ND2-CB 3.33Å; N66-D103 HydrophobicContact CB-CB 4.48Å; N66-D103 PolarHBondContact N-OD1 3.39Å; N66-D103 WeakPolarHBondContact O-CB 3.4Å; N66-F106 HydrophobicContact CB-CD2 4.26Å; N66-F106 HydrophobicContact CB-CE2 4.47Å
67F98.4Very high96.4Very high23 Ų2345.2 Ų45.210%0.10124%0.238CC..EExtended strand (participates in β ladder)trans-156.2160.2-174.758.8-84.1000112.8L64 W69 I78 R80L64-F67 HydrophobicContact CB-CD1 3.6Å; L64-F67 HydrophobicContact CB-CE1 3.7Å; L64-F67 HydrophobicContact CB-CG 4.45Å; L64-F67 HydrophobicContact CD1-CD1 4.19Å; L64-F67 HydrophobicContact CD1-CE1 4.29Å; L64-F67 HydrophobicContact CD1-CG 4.33Å; L64-F67 HydrophobicContact CG-CD1 4.43Å; F67-W69 HydrophobicContact CD2-CE3 4.13Å; F67-W69 HydrophobicContact CE2-CB 4.35Å; F67-W69 HydrophobicContact CE2-CD2 4.32Å; F67-W69 AromaticContact CE2-CE3 3.67Å; F67-W69 HydrophobicContact CE2-CE3 3.67Å; F67-W69 HydrophobicContact CE2-CZ3 4.39Å; F67-I78 HydrophobicContact CD1-CB 4.3Å; F67-I78 HydrophobicContact CD1-CG2 4.43Å; F67-I78 HydrophobicContact CD2-CB 4.15Å; F67-I78 HydrophobicContact CD2-CG1 4.34Å; F67-I78 HydrophobicContact CE1-CB 4.03Å; F67-I78 HydrophobicContact CE1-CG2 3.71Å; F67-I78 HydrophobicContact CE2-CB 3.84Å; F67-I78 HydrophobicContact CE2-CG1 3.95Å; F67-I78 HydrophobicContact CE2-CG2 4.01Å; F67-I78 HydrophobicContact CG-CB 4.37Å; F67-I78 HydrophobicContact CZ-CB 3.8Å; F67-I78 HydrophobicContact CZ-CG1 4.3Å; F67-I78 HydrophobicContact CZ-CG2 3.46Å; F67-I78 VanDerWaalsContact CZ-CG2 3.46Å; F67-I78 PolarHBondContact N-O 3.18Å; F67-I78 VanDerWaalsContact N-O 3.09Å; F67-I78 WeakPolarHBondContact O-CB 3.34Å; F67-I78 PolarHBondContact O-N 2.93Å; F67-R80 HydrophobicContact CE1-CB 4.04Å
68N98.4Very high96.6Very high54 Ų5444.9 Ų44.929%0.28924%0.237SC..EExtended strand (participates in β ladder)trans-80.2136.9172.2-68.3-81.2000110.7N75 Y76 H77 P96 Q97N68-N75 WeakPolarHBondContact CB-OD1 3.43Å; N68-N75 PolarHBondContact OD1-ND2 3.31Å; N68-Y76 CarbonylContact C-O 3.59Å; N68-Y76 WeakPolarHBondContact CA-O 3.39Å; N68-H77 PolarHBondContact OD1-CD2 3.09Å; N68-P96 WeakPolarHBondContact OD1-CA 3.45Å; N68-Q97 PolarHBondContact ND2-O 3.34Å; N68-Q97 PolarHBondContact OD1-N 3.09Å
69W98.5Very high96.7Very high58 Ų5843.5 Ų43.522%0.2223%0.232CC..EExtended strand (participates in β ladder)trans-128.7116.7174.1-164.2-106.9000110.4S32 L35 T36 F67 V71 Y76 I78S32-W69 VanDerWaalsContact CB-CZ2 3.5Å; L35-W69 HydrophobicContact CD2-CB 4.3Å; L35-W69 HydrophobicContact CD2-CD2 3.77Å; L35-W69 HydrophobicContact CD2-CG 3.61Å; L35-W69 HydrophobicContact CG-CG 4.35Å; T36-W69 WeakPolarHBondContact OG1-CZ2 3.18Å; T36-W69 PolarHBondContact OG1-NE1 3.36Å; F67-W69 HydrophobicContact CD2-CE3 4.13Å; F67-W69 HydrophobicContact CE2-CB 4.35Å; F67-W69 HydrophobicContact CE2-CD2 4.32Å; F67-W69 AromaticContact CE2-CE3 3.67Å; F67-W69 HydrophobicContact CE2-CE3 3.67Å; F67-W69 HydrophobicContact CE2-CZ3 4.39Å; W69-V71 HydrophobicContact CG-CG2 4.47Å; W69-Y76 PolarHBondContact N-O 3.04Å; W69-Y76 PolarHBondContact O-N 2.83Å; W69-I78 HydrophobicContact CB-CD1 3.99Å; W69-I78 HydrophobicContact CB-CG1 3.41Å; W69-I78 VanDerWaalsContact CB-CG1 3.41Å; W69-I78 HydrophobicContact CG-CG1 4.29Å
70R98.1Very high96.8Very high193 Ų19342.9 Ų42.973%0.72823%0.229SC*.EExtended strand (participates in β ladder)trans-95.4127.3-178-61.2-176.885.9-177.17110S74R70-S74 WeakPolarHBondContact CA-O 3.27Å
71V97.4Very high96.7Very high4 Ų441.4 Ų41.42%0.02422%0.222CC..EExtended strand (participates in β ladder)trans-141.3121.3179-178.50000108.7T36 L39 Q40 L44 W69 G73 S74T36-V71 HydrophobicContact CG2-CG1 4.03Å; T36-V71 HydrophobicContact CG2-CG2 4.14Å; L39-V71 HydrophobicContact CD1-CG2 4.03Å; Q40-V71 HydrophobicContact CG-CG1 3.57Å; L44-V71 HydrophobicContact CD2-CB 4.37Å; L44-V71 HydrophobicContact CD2-CG1 3.86Å; W69-V71 HydrophobicContact CG-CG2 4.47Å; V71-G73 VanDerWaalsContact C-N 3.34Å; V71-G73 PolarHBondContact O-N 3.27Å; V71-S74 PolarHBondContact N-O 3.4Å; V71-S74 WeakPolarHBondContact O-CB 3.48Å; V71-S74 PolarHBondContact O-N 2.69Å
72Q95.6Very high96.5Very high128 Ų12842.1 Ų42.160%0.59823%0.23SC*.THydrogen-bonded Turntrans4651.5176-64.2-174.9-2.300113.9Q40 L44 S74Q40-Q72 HydrophobicContact CG-CG 4.29Å; Q40-Q72 VanDerWaalsContact NE2-NE2 3.16Å; L44-Q72 HydrophobicContact CD1-CB 4.07Å; Q72-S74 PolarHBondContact O-N 3.04Å; Q72-S74 VanDerWaalsContact O-N 3.08Å
73G95.3Very high96.4Very high82 Ų8240.2 Ų40.285%0.84522%0.222SC*.THydrogen-bonded Turntrans76.1-11.8179.200000115.4V71V71-G73 VanDerWaalsContact C-N 3.34Å; V71-G73 PolarHBondContact O-N 3.27Å
74S97.4Very high96.3Very high25 Ų2541.6 Ų41.618%0.17522%0.221CC..EExtended strand (participates in β ladder)trans-89.8154.7171.1-63.60000111.4R70 V71 Q72 K93R70-S74 WeakPolarHBondContact CA-O 3.27Å; V71-S74 PolarHBondContact N-O 3.4Å; V71-S74 WeakPolarHBondContact O-CB 3.48Å; V71-S74 PolarHBondContact O-N 2.69Å; Q72-S74 PolarHBondContact O-N 3.04Å; Q72-S74 VanDerWaalsContact O-N 3.08Å; S74-K93 WeakPolarHBondContact OG-CE 3.47Å
75N98.4Very high96.2Very high13 Ų1339.7 Ų39.77%0.0721%0.212CC..EExtended strand (participates in β ladder)trans-117.3142.5170.5-17880000110.1N68 A94 P96N68-N75 WeakPolarHBondContact CB-OD1 3.43Å; N68-N75 PolarHBondContact OD1-ND2 3.31Å; N75-A94 CarbonylContact C-O 3.55Å; N75-A94 VanDerWaalsContact CB-O 3.29Å; N75-A94 WeakPolarHBondContact CB-O 3.32Å; N75-A94 PolarHBondContact ND2-O 2.99Å; N75-A94 PolarHBondContact O-N 3.3Å; N75-P96 HydrophobicContact CB-CG 3.89Å; N75-P96 WeakPolarHBondContact ND2-CA 3.43Å
76Y98.5Very high96.1Very high0 Ų039.7 Ų39.70%021%0.211CC..EExtended strand (participates in β ladder)trans-121.7135.3174.4-72.8-95.3000109.7L39 L44 P45 N68 W69 C91 T92 K93L39-Y76 HydrophobicContact CD1-CD1 4.47Å; L39-Y76 HydrophobicContact CD1-CD2 3.84Å; L39-Y76 HydrophobicContact CD1-CE2 4.13Å; L39-Y76 HydrophobicContact CD1-CG 4.04Å; L39-Y76 HydrophobicContact CD2-CD1 4.08Å; L39-Y76 HydrophobicContact CD2-CE1 3.81Å; L39-Y76 HydrophobicContact CD2-CE2 4.33Å; L39-Y76 HydrophobicContact CD2-CG 4.46Å; L44-Y76 WeakPolarHBondContact CA-OH 3.46Å; L44-Y76 WeakPolarHBondContact CB-OH 3.41Å; L44-Y76 PolarHBondContact O-OH 3.31Å; P45-Y76 VanDerWaalsContact O-CE1 3.24Å; P45-Y76 WeakPolarHBondContact O-CE1 3.22Å; P45-Y76 PolarHBondContact O-OH 3.15Å; N68-Y76 CarbonylContact C-O 3.59Å; N68-Y76 WeakPolarHBondContact CA-O 3.39Å; W69-Y76 PolarHBondContact N-O 3.04Å; W69-Y76 PolarHBondContact O-N 2.83Å; Y76-C91 HydrophobicContact CD1-CB 4Å; Y76-T92 CarbonylContact C-O 3.55Å; Y76-T92 VanDerWaalsContact CA-O 3.28Å; Y76-T92 WeakPolarHBondContact CA-O 3.45Å; Y76-K93 HydrophobicContact CD1-CB 4.09Å; Y76-K93 HydrophobicContact CE1-CB 3.62Å; Y76-K93 HydrophobicContact CE1-CG 4.03Å; Y76-K93 HydrophobicContact CE2-CG 4.31Å; Y76-K93 WeakPolarHBondContact OH-CE 3.32Å
77H98.5Very high96.1Very high35 Ų3538.6 Ų38.616%0.16221%0.206CC..EExtended strand (participates in β ladder)trans-80.2121.3160.2-63.6177.2000107.3N68 T92 P95 L99N68-H77 PolarHBondContact OD1-CD2 3.09Å; H77-T92 PolarHBondContact N-O 2.9Å; H77-T92 PolarHBondContact O-N 3.07Å; H77-P95 PolarHBondContact NE2-O 3.45Å; H77-L99 HydrophobicContact CB-CD1 4.29Å
78I98.4Very high96Very high0 Ų038.1 Ų38.10%020%0.204CC..EExtended strand (participates in β ladder)trans-107109.8-177.7-55.7-59.1000108.8L35 N66 F67 W69 R80 Y89 H90 C91L35-I78 HydrophobicContact CD1-CD1 4.06Å; L35-I78 HydrophobicContact CD2-CD1 4.1Å; L35-I78 HydrophobicContact CD2-CG1 4.14Å; L35-I78 HydrophobicContact CD2-CG2 4.49Å; N66-I78 VanDerWaalsContact CA-O 3.27Å; N66-I78 WeakPolarHBondContact CA-O 3.28Å; N66-I78 PolarHBondContact OD1-O 3.15Å; F67-I78 HydrophobicContact CD1-CB 4.3Å; F67-I78 HydrophobicContact CD1-CG2 4.43Å; F67-I78 HydrophobicContact CD2-CB 4.15Å; F67-I78 HydrophobicContact CD2-CG1 4.34Å; F67-I78 HydrophobicContact CE1-CB 4.03Å; F67-I78 HydrophobicContact CE1-CG2 3.71Å; F67-I78 HydrophobicContact CE2-CB 3.84Å; F67-I78 HydrophobicContact CE2-CG1 3.95Å; F67-I78 HydrophobicContact CE2-CG2 4.01Å; F67-I78 HydrophobicContact CG-CB 4.37Å; F67-I78 HydrophobicContact CZ-CB 3.8Å; F67-I78 HydrophobicContact CZ-CG1 4.3Å; F67-I78 HydrophobicContact CZ-CG2 3.46Å; F67-I78 VanDerWaalsContact CZ-CG2 3.46Å; F67-I78 PolarHBondContact N-O 3.18Å; F67-I78 VanDerWaalsContact N-O 3.09Å; F67-I78 WeakPolarHBondContact O-CB 3.34Å; F67-I78 PolarHBondContact O-N 2.93Å; W69-I78 HydrophobicContact CB-CD1 3.99Å; W69-I78 HydrophobicContact CB-CG1 3.41Å; W69-I78 VanDerWaalsContact CB-CG1 3.41Å; W69-I78 HydrophobicContact CG-CG1 4.29Å; I78-R80 HydrophobicContact CG2-CB 4.22Å; I78-Y89 HydrophobicContact CG2-CD1 3.79Å; I78-Y89 HydrophobicContact CG2-CE1 4.27Å; I78-H90 WeakPolarHBondContact CA-O 3.37Å; I78-C91 HydrophobicContact CD1-CB 3.79Å; I78-C91 VanDerWaalsContact CD1-SG 3.55Å
79L97.6Very high95.9Very high75 Ų7535.6 Ų35.639%0.39319%0.19SC..EExtended strand (participates in β ladder)trans-92.1116.7164.5-178.967.4000108.5S65 H90 F106S65-L79 WeakPolarHBondContact O-CA 3.41Å; L79-H90 HydrophobicContact CB-CB 4.22Å; L79-H90 PolarHBondContact N-O 3.38Å; L79-H90 PolarHBondContact O-N 2.79Å; L79-F106 HydrophobicContact CD1-CD2 4.08Å; L79-F106 HydrophobicContact CD1-CE2 3.69Å; L79-F106 HydrophobicContact CD1-CZ 4.15Å
80R95.8Very high95.9Very high6 Ų635.5 Ų35.52%0.02319%0.192CC..EExtended strand (participates in β ladder)trans-124.4138.3-172.9-174.2-174.4-166.2-114.20.8111.2N59 Q61 S65 F67 I78 V87 K88 Y89 K110N59-R80 PolarHBondContact OD1-NH1 2.81Å; N59-R80 PolarHBondContact OD1-NH2 2.85Å; Q61-R80 VanDerWaalsContact C-NH1 3.3Å; Q61-R80 PolarHBondContact O-NH1 2.99Å; S65-R80 WeakPolarHBondContact CA-O 3.26Å; S65-R80 PolarHBondContact O-N 3.44Å; F67-R80 HydrophobicContact CE1-CB 4.04Å; I78-R80 HydrophobicContact CG2-CB 4.22Å; R80-V87 HydrophobicContact CG-CG1 3.92Å; R80-V87 VanDerWaalsContact CZ-CG1 3.48Å; R80-V87 VanDerWaalsContact NE-CG1 3.31Å; R80-V87 VanDerWaalsContact NH2-CG1 3.32Å; R80-K88 WeakPolarHBondContact CA-O 3.45Å; R80-Y89 HydrophobicContact CG-CD1 4.31Å; R80-Y89 HydrophobicContact CG-CE1 4.01Å; R80-Y89 VanDerWaalsContact NE-CZ 3.34Å; R80-Y89 PolarHBondContact NE-OH 3.15Å; R80-Y89 PolarHBondContact NH2-OH 3.23Å; R80-Y89 VanDerWaalsContact NH2-OH 3.11Å; R80-K110 PolarHBondContact O-NZ 2.79Å
81T94.6Very high95.8Very high26 Ų2626.3 Ų26.316%0.1616%0.157CC..EExtended strand (participates in β ladder)trans-139.1144.5163.8-163.70000112C83 K88 K110 C118 Y121T81-C83 HydrophobicContact CG2-CB 4.33Å; T81-K88 HydrophobicContact CG2-CB 4.19Å; T81-K88 PolarHBondContact N-O 2.91Å; T81-K88 VanDerWaalsContact N-O 3.09Å; T81-K88 PolarHBondContact O-N 3.31Å; T81-K110 WeakPolarHBondContact OG1-CE 3.24Å; T81-C118 PolarHBondContact OG1-SG 2.83Å; T81-Y121 HydrophobicContact CG2-CD1 3.75Å; T81-Y121 HydrophobicContact CG2-CE1 3.82Å
82G91.9Very high95.8Very high20 Ų2029.1 Ų29.121%0.20617%0.174CC..EExtended strand (participates in β ladder)trans-67.3133.4158.800000108.6Y54 C118Y54-G82 WeakPolarHBondContact OH-CA 3.4Å; G82-C118 WeakPolarHBondContact O-CB 3.38Å
83C90.6Very high95.9Very high0 Ų027 Ų270%016%0.163CC..EExtended strand (participates in β ladder)trans-145.778.217858.60000109.4T81 F86 K88 C118 Y121 G122T81-C83 HydrophobicContact CG2-CB 4.33Å; C83-F86 CarbonylContact C-O 3.56Å; C83-F86 WeakPolarHBondContact CA-O 3.36Å; C83-F86 PolarHBondContact N-O 3.09Å; C83-F86 CarbonylContact O-C 3.13Å; C83-F86 WeakPolarHBondContact O-CA 3.42Å; C83-F86 PolarHBondContact O-N 2.68Å; C83-K88 VanDerWaalsContact SG-CB 3.57Å; C83-K88 PolarHBondContact SG-N 3.15Å; C83-C118 VanDerWaalsContact CA-O 3.29Å; C83-C118 WeakPolarHBondContact CA-O 3.29Å; C83-Y121 HydrophobicContact CB-CD1 3.69Å; C83-Y121 HydrophobicContact CB-CE1 4.39Å; C83-Y121 HydrophobicContact CB-CG 4.48Å; C83-G122 VanDerWaalsContact O-CA 3.31Å; C83-G122 WeakPolarHBondContact O-CA 3.25Å
84F89.9Confident96Very high55 Ų5524.2 Ų24.224%0.24113%0.132CC..THydrogen-bonded Turntrans-48.6129.1-169.3-179.3-89.9000112.5L13 A16 L17 Y54 L119 G122L13-F84 HydrophobicContact CD2-CD2 3.61Å; L13-F84 HydrophobicContact CD2-CE2 3.77Å; A16-F84 HydrophobicContact CB-CE2 4.27Å; A16-F84 HydrophobicContact CB-CZ 4.09Å; L17-F84 HydrophobicContact CD1-CE2 3.97Å; L17-F84 HydrophobicContact CD2-CE1 4.41Å; L17-F84 HydrophobicContact CD2-CE2 3.49Å; L17-F84 VanDerWaalsContact CD2-CE2 3.49Å; L17-F84 HydrophobicContact CD2-CZ 3.4Å; L17-F84 HydrophobicContact CG-CE2 3.62Å; L17-F84 HydrophobicContact CG-CZ 3.95Å; Y54-F84 HydrophobicContact CD2-CD2 4.43Å; F84-L119 HydrophobicContact CB-CD1 4.09Å; F84-L119 HydrophobicContact CD1-CD1 4.08Å; F84-L119 HydrophobicContact CG-CD1 4.49Å; F84-G122 CarbonylContact O-C 3.44Å; F84-G122 WeakPolarHBondContact O-CA 3.29Å
85P92.7Very high96Very high13 Ų1328.1 Ų28.18%0.08416%0.157CC..THydrogen-bonded Turncis-90.714.712.237.7-38.9000115.5L17 Y54 W126L17-P85 HydrophobicContact CD2-CB 3.89Å; Y54-P85 WeakPolarHBondContact CD2-O 2.87Å; Y54-P85 PolarHBondContact N-O 2.91Å; P85-W126 HydrophobicContact CG-CD2 4.43Å; P85-W126 HydrophobicContact CG-CE3 3.69Å; P85-W126 HydrophobicContact CG-CZ3 3.75Å
86F95.2Very high96Very high1 Ų131.7 Ų31.70%0.00418%0.181CC..EExtended strand (participates in β ladder)trans-113.5168-175.2-52.3-83.5000113.4C51 V52 R53 Y54 C83 W126 I129 Y145C51-F86 HydrophobicContact CB-CB 4.09Å; C51-F86 HydrophobicContact CB-CD1 4.09Å; C51-F86 HydrophobicContact CB-CG 4.16Å; V52-F86 CarbonylContact O-C 3.43Å; V52-F86 VanDerWaalsContact O-CA 3.24Å; V52-F86 WeakPolarHBondContact O-CA 3.35Å; R53-F86 HydrophobicContact CB-CD1 4.39Å; R53-F86 HydrophobicContact CG-CD1 3.61Å; R53-F86 HydrophobicContact CG-CE1 3.39Å; R53-F86 HydrophobicContact CG-CZ 4.43Å; Y54-F86 WeakPolarHBondContact CE2-O 3.44Å; C83-F86 CarbonylContact C-O 3.56Å; C83-F86 WeakPolarHBondContact CA-O 3.36Å; C83-F86 PolarHBondContact N-O 3.09Å; C83-F86 CarbonylContact O-C 3.13Å; C83-F86 WeakPolarHBondContact O-CA 3.42Å; C83-F86 PolarHBondContact O-N 2.68Å; F86-W126 HydrophobicContact CE2-CB 4.02Å; F86-W126 HydrophobicContact CE2-CD2 4.48Å; F86-W126 HydrophobicContact CE2-CG 4.19Å; F86-I129 HydrophobicContact CE1-CD1 3.87Å; F86-I129 HydrophobicContact CE2-CD1 3.84Å; F86-I129 HydrophobicContact CZ-CD1 3.42Å; F86-I129 VanDerWaalsContact CZ-CD1 3.42Å; F86-Y145 HydrophobicContact CD1-CD2 4.37Å; F86-Y145 AromaticContact CE1-CD2 3.96Å; F86-Y145 HydrophobicContact CE1-CD2 3.96Å; F86-Y145 HydrophobicContact CE1-CE2 4.2Å; F86-Y145 HydrophobicContact CE1-CG 4.45Å
87V96.2Very high95.9Very high0 Ų036.9 Ų36.90%021%0.205CC..EExtended strand (participates in β ladder)trans-108.6128.4154.4179.80000107.1C51 V52 Y54 I57 R80 Y89C51-V87 CarbonylContact C-O 3.47Å; C51-V87 VanDerWaalsContact CA-O 3.29Å; C51-V87 WeakPolarHBondContact CA-O 3.46Å; V52-V87 HydrophobicContact CG1-CB 4Å; V52-V87 PolarHBondContact N-O 2.91Å; V52-V87 PolarHBondContact O-N 2.89Å; Y54-V87 HydrophobicContact CD1-CG2 3.69Å; Y54-V87 HydrophobicContact CE1-CG2 3.17Å; Y54-V87 HydrophobicContact CE2-CG2 4.26Å; Y54-V87 HydrophobicContact CG-CG2 4.4Å; I57-V87 HydrophobicContact CD1-CG2 4.09Å; R80-V87 HydrophobicContact CG-CG1 3.92Å; R80-V87 VanDerWaalsContact CZ-CG1 3.48Å; R80-V87 VanDerWaalsContact NE-CG1 3.31Å; R80-V87 VanDerWaalsContact NH2-CG1 3.32Å; V87-Y89 HydrophobicContact CB-CE2 4.03Å; V87-Y89 HydrophobicContact CG1-CD2 4.01Å; V87-Y89 HydrophobicContact CG1-CE2 3.36Å
88K96.3Very high95.8Very high12 Ų1240.6 Ų40.65%0.05223%0.226CC..EExtended strand (participates in β ladder)trans-96.1137172.9-17775-173.41750110.3S49 C51 R80 T81 C83 H90 Y121S49-K88 PolarHBondContact O-NZ 2.8Å; S49-K88 WeakPolarHBondContact OG-CE 3.42Å; S49-K88 PolarHBondContact OG-NZ 3.04Å; C51-K88 WeakPolarHBondContact SG-CD 3.45Å; R80-K88 WeakPolarHBondContact CA-O 3.45Å; T81-K88 HydrophobicContact CG2-CB 4.19Å; T81-K88 PolarHBondContact N-O 2.91Å; T81-K88 VanDerWaalsContact N-O 3.09Å; T81-K88 PolarHBondContact O-N 3.31Å; C83-K88 VanDerWaalsContact SG-CB 3.57Å; C83-K88 PolarHBondContact SG-N 3.15Å; K88-H90 VanDerWaalsContact CE-NE2 3.29Å; K88-H90 WeakPolarHBondContact CE-NE2 3.46Å; K88-Y121 HydrophobicContact CB-CE1 4.03Å; K88-Y121 HydrophobicContact CG-CE1 3.97Å
89Y97.8Very high95.7Very high1 Ų141 Ų410%0.00423%0.229CC..EExtended strand (participates in β ladder)trans-117.1139.6170-69.2-92.6000109.8A31 L35 S49 F50 V52 Q61 I78 R80 V87A31-Y89 WeakPolarHBondContact CB-OH 3.08Å; L35-Y89 HydrophobicContact CB-CE1 4.46Å; L35-Y89 HydrophobicContact CD1-CD1 4.06Å; L35-Y89 HydrophobicContact CD1-CE1 4.47Å; L35-Y89 HydrophobicContact CD2-CD1 4.3Å; L35-Y89 HydrophobicContact CD2-CE1 4.06Å; S49-Y89 CarbonylContact C-O 3.51Å; S49-Y89 VanDerWaalsContact CA-O 3.25Å; S49-Y89 WeakPolarHBondContact CA-O 3.12Å; S49-Y89 PolarHBondContact OG-O 3.38Å; F50-Y89 HydrophobicContact CD2-CD2 4.3Å; F50-Y89 HydrophobicContact CE1-CD2 4.4Å; F50-Y89 HydrophobicContact CE1-CG 4.07Å; F50-Y89 AromaticContact CE2-CD2 3.62Å; F50-Y89 HydrophobicContact CE2-CD2 3.62Å; F50-Y89 HydrophobicContact CE2-CE2 4.26Å; F50-Y89 HydrophobicContact CE2-CG 4.11Å; F50-Y89 HydrophobicContact CZ-CD1 4.43Å; F50-Y89 AromaticContact CZ-CD2 3.67Å; F50-Y89 HydrophobicContact CZ-CD2 3.67Å; F50-Y89 HydrophobicContact CZ-CE2 4.41Å; F50-Y89 AromaticContact CZ-CG 3.69Å; F50-Y89 HydrophobicContact CZ-CG 3.69Å; F50-Y89 PolarHBondContact N-O 3.12Å; F50-Y89 VanDerWaalsContact N-O 3.12Å; F50-Y89 PolarHBondContact O-N 3.44Å; V52-Y89 HydrophobicContact CG1-CD2 4.41Å; V52-Y89 HydrophobicContact CG1-CE2 3.86Å; Q61-Y89 PolarHBondContact OE1-OH 2.87Å; I78-Y89 HydrophobicContact CG2-CD1 3.79Å; I78-Y89 HydrophobicContact CG2-CE1 4.27Å; R80-Y89 HydrophobicContact CG-CD1 4.31Å; R80-Y89 HydrophobicContact CG-CE1 4.01Å; R80-Y89 VanDerWaalsContact NE-CZ 3.34Å; R80-Y89 PolarHBondContact NE-OH 3.15Å; R80-Y89 PolarHBondContact NH2-OH 3.23Å; R80-Y89 VanDerWaalsContact NH2-OH 3.11Å; V87-Y89 HydrophobicContact CB-CE2 4.03Å; V87-Y89 HydrophobicContact CG1-CD2 4.01Å; V87-Y89 HydrophobicContact CG1-CE2 3.36Å
90H97Very high95.7Very high56 Ų5642 Ų4226%0.25923%0.234SC..EExtended strand (participates in β ladder)trans-122.7125.7158-70.3-103.3000106.7S49 I78 L79 K88S49-H90 PolarHBondContact OG-CE1 2.75Å; S49-H90 PolarHBondContact OG-ND1 2.84Å; S49-H90 PolarHBondContact OG-NE2 3.48Å; I78-H90 WeakPolarHBondContact CA-O 3.37Å; L79-H90 HydrophobicContact CB-CB 4.22Å; L79-H90 PolarHBondContact N-O 3.38Å; L79-H90 PolarHBondContact O-N 2.79Å; K88-H90 VanDerWaalsContact CE-NE2 3.29Å; K88-H90 WeakPolarHBondContact CE-NE2 3.46Å
91C97.8Very high95.7Very high0 Ų049 Ų490%027%0.265CS..EExtended strand (participates in β ladder)trans-123.2117.8-174.3-49.20000108.2L35 L39 W47 T48 Y76 I78L35-C91 VanDerWaalsContact CD1-SG 3.57Å; L39-C91 HydrophobicContact CD2-CB 4.07Å; W47-C91 CarbonylContact C-O 3.53Å; W47-C91 VanDerWaalsContact CA-O 3.29Å; W47-C91 WeakPolarHBondContact CA-O 3.43Å; T48-C91 HydrophobicContact CG2-CB 3.65Å; T48-C91 PolarHBondContact N-O 3.18Å; T48-C91 PolarHBondContact O-N 3.12Å; Y76-C91 HydrophobicContact CD1-CB 4Å; I78-C91 HydrophobicContact CD1-CB 3.79Å; I78-C91 VanDerWaalsContact CD1-SG 3.55Å
92T97.2Very high95.8Very high63 Ų6350.9 Ų50.939%0.38727%0.272SS..EExtended strand (participates in β ladder)trans-117.9125.2176.1-55.30000108.9Y76 H77 A94Y76-T92 CarbonylContact C-O 3.55Å; Y76-T92 VanDerWaalsContact CA-O 3.28Å; Y76-T92 WeakPolarHBondContact CA-O 3.45Å; H77-T92 PolarHBondContact N-O 2.9Å; H77-T92 PolarHBondContact O-N 3.07Å; T92-A94 PolarHBondContact O-N 2.68Å
93K97.4Very high96Very high84 Ų8451 Ų5137%0.36527%0.268SS..EExtended strand (participates in β ladder)trans-70.3118177.9-160.9177.2-147.6172.90108.9L44 P46 S74 Y76L44-K93 PolarHBondContact O-NZ 3.38Å; P46-K93 VanDerWaalsContact O-CB 3.29Å; P46-K93 WeakPolarHBondContact O-CB 3.35Å; P46-K93 PolarHBondContact O-N 2.94Å; S74-K93 WeakPolarHBondContact OG-CE 3.47Å; Y76-K93 HydrophobicContact CD1-CB 4.09Å; Y76-K93 HydrophobicContact CE1-CB 3.62Å; Y76-K93 HydrophobicContact CE1-CG 4.03Å; Y76-K93 HydrophobicContact CE2-CG 4.31Å; Y76-K93 WeakPolarHBondContact OH-CE 3.32Å
94A96.8Very high96.2Very high23 Ų2357.9 Ų57.919%0.1930%0.298CS..  trans-157.4153.8-174.900000111N75 T92N75-A94 CarbonylContact C-O 3.55Å; N75-A94 VanDerWaalsContact CB-O 3.29Å; N75-A94 WeakPolarHBondContact CB-O 3.32Å; N75-A94 PolarHBondContact ND2-O 2.99Å; N75-A94 PolarHBondContact O-N 3.3Å; T92-A94 PolarHBondContact O-N 2.68Å
95P97.6Very high96.6Very high107 Ų10759.6 Ų59.670%0.69531%0.305SS*.  trans-55.4148.4172.1-23.734.2000111.9H77 Q97H77-P95 PolarHBondContact NE2-O 3.45Å; P95-Q97 PolarHBondContact O-N 3.03Å
96P97.6Very high96.7Very high88 Ų8862.3 Ų62.357%0.57132%0.316SS*.  trans-54.7134.5175.7-2433000112.4N68 N75N68-P96 WeakPolarHBondContact OD1-CA 3.45Å; N75-P96 HydrophobicContact CB-CG 3.89Å; N75-P96 WeakPolarHBondContact ND2-CA 3.43Å
97Q96.9Very high96.5Very high110 Ų11064.4 Ų64.451%0.51433%0.329SS..  trans-135.6155.2178.6-175.8177.1-2500110.6N68 P95 L99N68-Q97 PolarHBondContact ND2-O 3.34Å; N68-Q97 PolarHBondContact OD1-N 3.09Å; P95-Q97 PolarHBondContact O-N 3.03Å; Q97-L99 HydrophobicContact CB-CD2 4.47Å; Q97-L99 PolarHBondContact O-N 3.37Å
98N97.2Very high96.4Very high113 Ų11369.1 Ų69.160%0.60435%0.352SS*.  trans-69.5116166.6-172.5-12.7000109.8D100N98-D100 VanDerWaalsContact OD1-CB 3.32Å; N98-D100 WeakPolarHBondContact OD1-CB 3.38Å; N98-D100 PolarHBondContact OD1-N 2.98Å
99L96.6Very high96.3Very high9 Ų971.5 Ų71.55%0.04737%0.365CS..  trans-115.510.9-178.8-61.7171.6000112.2H77 Q97 F101 E102 D103H77-L99 HydrophobicContact CB-CD1 4.29Å; Q97-L99 HydrophobicContact CB-CD2 4.47Å; Q97-L99 PolarHBondContact O-N 3.37Å; L99-F101 VanDerWaalsContact C-N 3.28Å; L99-F101 PolarHBondContact O-N 2.97Å; L99-E102 WeakPolarHBondContact CA-OE2 3.22Å; L99-E102 PolarHBondContact O-N 3.25Å; L99-D103 WeakPolarHBondContact O-CB 3.47Å; L99-D103 PolarHBondContact O-N 2.95Å
100D96.1Very high96Very high96 Ų9674.1 Ų74.151%0.51338%0.376SS..Hα-helixtrans-64.8-33.6-172.2-72.8-10000112.3N98 K104N98-D100 VanDerWaalsContact OD1-CB 3.32Å; N98-D100 WeakPolarHBondContact OD1-CB 3.38Å; N98-D100 PolarHBondContact OD1-N 2.98Å; D100-K104 WeakPolarHBondContact O-CB 3.45Å; D100-K104 WeakPolarHBondContact O-CD 3.37Å; D100-K104 WeakPolarHBondContact O-CG 3.21Å; D100-K104 PolarHBondContact O-N 2.85Å; D100-K104 VanDerWaalsContact O-N 3.09Å
101F96.6Very high95.7Very high153 Ų15376.3 Ų76.367%0.67139%0.394SS*.Hα-helixtrans-67.6-50.3179.1177.3-96.2000110.4L99 D103 K104 F105L99-F101 VanDerWaalsContact C-N 3.28Å; L99-F101 PolarHBondContact O-N 2.97Å; F101-D103 VanDerWaalsContact C-N 3.33Å; F101-D103 PolarHBondContact O-N 3.19Å; F101-K104 PolarHBondContact O-N 3.25Å; F101-F105 VanDerWaalsContact O-CB 3.28Å; F101-F105 WeakPolarHBondContact O-CB 3.37Å; F101-F105 PolarHBondContact O-N 3.26Å
102E96.2Very high95.6Very high64 Ų6481.6 Ų81.630%0.29942%0.421SS..Hα-helixtrans-61.1-42.9178-64.781.6176.100111N66 L99 K104 F105 F106N66-E102 HydrophobicContact CB-CB 4.1Å; N66-E102 VanDerWaalsContact ND2-CB 3.32Å; N66-E102 WeakPolarHBondContact ND2-CB 3.33Å; L99-E102 WeakPolarHBondContact CA-OE2 3.22Å; L99-E102 PolarHBondContact O-N 3.25Å; E102-K104 PolarHBondContact O-N 3.49Å; E102-F105 PolarHBondContact O-N 2.87Å; E102-F106 HydrophobicContact CB-CD2 4.44Å; E102-F106 HydrophobicContact CB-CE2 4.24Å; E102-F106 WeakPolarHBondContact O-CD2 3.47Å; E102-F106 PolarHBondContact O-N 3.4Å
103D96.2Very high95.4Very high24 Ų2482 Ų8213%0.12842%0.421CS..Hα-helixtrans-59-47.8177-16953.8000112.2S65 N66 L99 F101 T107S65-D103 WeakPolarHBondContact CA-OD1 3.41Å; S65-D103 WeakPolarHBondContact CB-OD1 3.47Å; S65-D103 PolarHBondContact N-OD1 3.38Å; N66-D103 HydrophobicContact CB-CB 4.48Å; N66-D103 PolarHBondContact N-OD1 3.39Å; N66-D103 WeakPolarHBondContact O-CB 3.4Å; L99-D103 WeakPolarHBondContact O-CB 3.47Å; L99-D103 PolarHBondContact O-N 2.95Å; F101-D103 VanDerWaalsContact C-N 3.33Å; F101-D103 PolarHBondContact O-N 3.19Å; D103-T107 VanDerWaalsContact O-CB 3.26Å; D103-T107 WeakPolarHBondContact O-CB 3.48Å; D103-T107 PolarHBondContact O-N 3.22Å; D103-T107 PolarHBondContact O-OG1 3.29Å
104K96.1Very high95Very high144 Ų14485.1 Ų85.163%0.62644%0.44SS*.Hα-helixtrans-65.3-42.7177.2-73.6170.6-173.9170.30111.3D100 F101 E102 T107 M108D100-K104 WeakPolarHBondContact O-CB 3.45Å; D100-K104 WeakPolarHBondContact O-CD 3.37Å; D100-K104 WeakPolarHBondContact O-CG 3.21Å; D100-K104 PolarHBondContact O-N 2.85Å; D100-K104 VanDerWaalsContact O-N 3.09Å; F101-K104 PolarHBondContact O-N 3.25Å; E102-K104 PolarHBondContact O-N 3.49Å; K104-T107 PolarHBondContact O-N 3.08Å; K104-M108 WeakPolarHBondContact O-CB 3.45Å; K104-M108 PolarHBondContact O-N 3.15Å
105F96.4Very high94.5Very high90 Ų9085.2 Ų85.240%0.39544%0.444SS..Hα-helixtrans-60.3-51.8178.7178.2-106000111.4F101 E102 T107 M108 L109F101-F105 VanDerWaalsContact O-CB 3.28Å; F101-F105 WeakPolarHBondContact O-CB 3.37Å; F101-F105 PolarHBondContact O-N 3.26Å; E102-F105 PolarHBondContact O-N 2.87Å; F105-T107 VanDerWaalsContact C-N 3.3Å; F105-T107 PolarHBondContact O-N 3.49Å; F105-M108 HydrophobicContact CD2-CE 4.17Å; F105-M108 HydrophobicContact CE2-CE 4.38Å; F105-M108 WeakPolarHBondContact O-CB 3.37Å; F105-M108 PolarHBondContact O-N 3.47Å; F105-L109 HydrophobicContact CD1-CD1 4Å; F105-L109 HydrophobicContact CE1-CD1 3.44Å; F105-L109 VanDerWaalsContact CE1-CD1 3.44Å; F105-L109 HydrophobicContact CE1-CG 4.21Å; F105-L109 HydrophobicContact CE2-CD1 4.43Å; F105-L109 HydrophobicContact CE2-CG 4.42Å; F105-L109 HydrophobicContact CZ-CD1 3.69Å; F105-L109 HydrophobicContact CZ-CD2 4.35Å; F105-L109 HydrophobicContact CZ-CG 4.13Å; F105-L109 WeakPolarHBondContact O-CG 3.31Å; F105-L109 PolarHBondContact O-N 3.5Å
106F94.9Very high94.3Very high70 Ų7085.5 Ų85.531%0.30744%0.438SS..Hα-helixtrans-63.7-36.7176.7-71-53.6000112.5N66 L79 E102 L109 K110N66-F106 HydrophobicContact CB-CD2 4.26Å; N66-F106 HydrophobicContact CB-CE2 4.47Å; L79-F106 HydrophobicContact CD1-CD2 4.08Å; L79-F106 HydrophobicContact CD1-CE2 3.69Å; L79-F106 HydrophobicContact CD1-CZ 4.15Å; E102-F106 HydrophobicContact CB-CD2 4.44Å; E102-F106 HydrophobicContact CB-CE2 4.24Å; E102-F106 WeakPolarHBondContact O-CD2 3.47Å; E102-F106 PolarHBondContact O-N 3.4Å; F106-L109 HydrophobicContact CD1-CD1 4.39Å; F106-L109 PolarHBondContact O-N 2.87Å; F106-K110 VanDerWaalsContact O-CG 3.25Å; F106-K110 WeakPolarHBondContact O-CG 2.97Å; F106-K110 PolarHBondContact O-N 2.81Å
107T92.3Very high94Very high46 Ų4684.7 Ų84.728%0.28243%0.433SS..Hα-helixtrans-63.3-45.1175.3-620000111.2S65 D103 K104 F105 K110 V111S65-T107 PolarHBondContact OG-OG1 2.92Å; D103-T107 VanDerWaalsContact O-CB 3.26Å; D103-T107 WeakPolarHBondContact O-CB 3.48Å; D103-T107 PolarHBondContact O-N 3.22Å; D103-T107 PolarHBondContact O-OG1 3.29Å; K104-T107 PolarHBondContact O-N 3.08Å; F105-T107 VanDerWaalsContact C-N 3.3Å; F105-T107 PolarHBondContact O-N 3.49Å; T107-K110 PolarHBondContact O-N 2.81Å; T107-V111 WeakPolarHBondContact O-CG2 3.46Å; T107-V111 PolarHBondContact O-N 2.89Å; T107-V111 VanDerWaalsContact O-N 3.11Å
108M94.4Very high93.7Very high98 Ų9880.6 Ų80.648%0.48342%0.416SS..Hα-helixtrans-60.9-45.3175.9-176.3-171.972.900111.3K104 F105 K110 V111 I112K104-M108 WeakPolarHBondContact O-CB 3.45Å; K104-M108 PolarHBondContact O-N 3.15Å; F105-M108 HydrophobicContact CD2-CE 4.17Å; F105-M108 HydrophobicContact CE2-CE 4.38Å; F105-M108 WeakPolarHBondContact O-CB 3.37Å; F105-M108 PolarHBondContact O-N 3.47Å; M108-K110 VanDerWaalsContact C-N 3.32Å; M108-K110 PolarHBondContact O-N 3.38Å; M108-V111 PolarHBondContact O-N 3.48Å; M108-V111 VanDerWaalsContact O-N 3.14Å; M108-I112 HydrophobicContact CE-CD1 4.25Å; M108-I112 HydrophobicContact CG-CD1 3.7Å; M108-I112 HydrophobicContact CG-CG1 4.32Å; M108-I112 WeakPolarHBondContact O-CG1 3.36Å; M108-I112 PolarHBondContact O-N 2.93Å; M108-I112 HydrophobicContact SD-CD1 4.22Å
109L93.7Very high93.3Very high63 Ų6379.6 Ų79.633%0.3341%0.41SS..Hα-helixtrans-58.8-42.8176.8-73.6-179.3000112.2F105 F106 V111 I112 N113F105-L109 HydrophobicContact CD1-CD1 4Å; F105-L109 HydrophobicContact CE1-CD1 3.44Å; F105-L109 VanDerWaalsContact CE1-CD1 3.44Å; F105-L109 HydrophobicContact CE1-CG 4.21Å; F105-L109 HydrophobicContact CE2-CD1 4.43Å; F105-L109 HydrophobicContact CE2-CG 4.42Å; F105-L109 HydrophobicContact CZ-CD1 3.69Å; F105-L109 HydrophobicContact CZ-CD2 4.35Å; F105-L109 HydrophobicContact CZ-CG 4.13Å; F105-L109 WeakPolarHBondContact O-CG 3.31Å; F105-L109 PolarHBondContact O-N 3.5Å; F106-L109 HydrophobicContact CD1-CD1 4.39Å; F106-L109 PolarHBondContact O-N 2.87Å; L109-V111 VanDerWaalsContact C-N 3.3Å; L109-V111 PolarHBondContact O-N 3.24Å; L109-I112 PolarHBondContact O-N 3.2Å; L109-N113 WeakPolarHBondContact O-CB 3.36Å; L109-N113 PolarHBondContact O-N 3.41Å; L109-N113 PolarHBondContact O-ND2 2.87Å
110K91.8Very high93.1Very high55 Ų5582.2 Ų82.224%0.23943%0.433CS..Hα-helixtrans-61.6-39.6177-70.9166.5-175.4172.20111.6S65 R80 T81 F106 T107 M108 L114 G115S65-K110 PolarHBondContact OG-NZ 3.49Å; R80-K110 PolarHBondContact O-NZ 2.79Å; T81-K110 WeakPolarHBondContact OG1-CE 3.24Å; F106-K110 VanDerWaalsContact O-CG 3.25Å; F106-K110 WeakPolarHBondContact O-CG 2.97Å; F106-K110 PolarHBondContact O-N 2.81Å; T107-K110 PolarHBondContact O-N 2.81Å; M108-K110 VanDerWaalsContact C-N 3.32Å; M108-K110 PolarHBondContact O-N 3.38Å; K110-L114 PolarHBondContact O-N 2.79Å; K110-G115 PolarHBondContact O-N 3.36Å
111V90.8Very high92.8Very high103 Ų10382.1 Ų82.162%0.62443%0.426SS*.Hα-helixtrans-68.4-50.7177.8172.80000111.3T107 M108 L109 N113 L114T107-V111 WeakPolarHBondContact O-CG2 3.46Å; T107-V111 PolarHBondContact O-N 2.89Å; T107-V111 VanDerWaalsContact O-N 3.11Å; M108-V111 PolarHBondContact O-N 3.48Å; M108-V111 VanDerWaalsContact O-N 3.14Å; L109-V111 VanDerWaalsContact C-N 3.3Å; L109-V111 PolarHBondContact O-N 3.24Å; V111-N113 PolarHBondContact O-N 3.34Å; V111-L114 PolarHBondContact O-N 3.45Å
112I94.3Very high92.5Very high111 Ų11174.9 Ų74.957%0.56940%0.395SS*.Hα-helixtrans-59.3-38.8-179-69.3171.1000111.1M108 L109 L114M108-I112 HydrophobicContact CE-CD1 4.25Å; M108-I112 HydrophobicContact CG-CD1 3.7Å; M108-I112 HydrophobicContact CG-CG1 4.32Å; M108-I112 WeakPolarHBondContact O-CG1 3.36Å; M108-I112 PolarHBondContact O-N 2.93Å; M108-I112 HydrophobicContact SD-CD1 4.22Å; L109-I112 PolarHBondContact O-N 3.2Å; I112-L114 VanDerWaalsContact C-N 3.31Å; I112-L114 PolarHBondContact O-N 2.86Å
113N93.3Very high92.3Very high72 Ų7275.4 Ų75.439%0.38540%0.402SS..THydrogen-bonded Turntrans-9011-179.6-67.3-83.5000113.8L109 V111 G115 I116 P117L109-N113 WeakPolarHBondContact O-CB 3.36Å; L109-N113 PolarHBondContact O-N 3.41Å; L109-N113 PolarHBondContact O-ND2 2.87Å; V111-N113 PolarHBondContact O-N 3.34Å; N113-G115 PolarHBondContact O-N 3.46Å; N113-I116 PolarHBondContact O-N 2.92Å; N113-P117 HydrophobicContact CB-CG 3.86Å
114L90.1Very high92Very high148 Ų14875.4 Ų75.478%0.77541%0.407SS*.THydrogen-bonded Turntrans51.227.8-179.6-55.1177.7000113.9K110 V111 I112 I116K110-L114 PolarHBondContact O-N 2.79Å; V111-L114 PolarHBondContact O-N 3.45Å; I112-L114 VanDerWaalsContact C-N 3.31Å; I112-L114 PolarHBondContact O-N 2.86Å; L114-I116 PolarHBondContact O-N 3.41Å
115G86.6Confident91.6Very high25 Ų2569 Ų6926%0.25838%0.38SS..THydrogen-bonded Turntrans678.2-176.300000115.8K110 N113 C118 L119K110-G115 PolarHBondContact O-N 3.36Å; N113-G115 PolarHBondContact O-N 3.46Å; G115-C118 VanDerWaalsContact O-CB 3.25Å; G115-C118 WeakPolarHBondContact O-CB 3.31Å; G115-C118 PolarHBondContact O-N 2.86Å; G115-L119 PolarHBondContact O-N 3.47Å; G115-L119 VanDerWaalsContact O-N 3.13Å
116I91.6Very high91.2Very high114 Ų11472.2 Ų72.259%0.58539%0.39SS*.Hα-helixtrans-58-45.9-179.6-63.6168.7000112N113 L114 C118 L119 A120N113-I116 PolarHBondContact O-N 2.92Å; L114-I116 PolarHBondContact O-N 3.41Å; I116-C118 PolarHBondContact O-N 3.19Å; I116-L119 PolarHBondContact O-N 3.46Å; I116-L119 VanDerWaalsContact O-N 3.11Å; I116-A120 PolarHBondContact O-N 2.88Å
117P91.4Very high91Very high70 Ų7075.8 Ų75.846%0.45541%0.41SS..Hα-helixtrans-60.9-33176.1-24.935.4000113N113 Y121N113-P117 HydrophobicContact CB-CG 3.86Å; P117-Y121 VanDerWaalsContact O-CB 3.24Å; P117-Y121 WeakPolarHBondContact O-CB 3.5Å; P117-Y121 PolarHBondContact O-N 3.31Å
118C90.6Very high90.9Very high24 Ų2477 Ų7716%0.16242%0.417CS..Hα-helixtrans-65.6-40.4176.5-67.70000111.3T81 G82 C83 G115 I116 G122T81-C118 PolarHBondContact OG1-SG 2.83Å; G82-C118 WeakPolarHBondContact O-CB 3.38Å; C83-C118 VanDerWaalsContact CA-O 3.29Å; C83-C118 WeakPolarHBondContact CA-O 3.29Å; G115-C118 VanDerWaalsContact O-CB 3.25Å; G115-C118 WeakPolarHBondContact O-CB 3.31Å; G115-C118 PolarHBondContact O-N 2.86Å; I116-C118 PolarHBondContact O-N 3.19Å; C118-G122 PolarHBondContact O-N 2.77Å
119L89.7Confident90.7Very high92 Ų9274.7 Ų74.748%0.48241%0.406SS..Hα-helixtrans-66.3-48.7176-179.262.8000111.5F84 G115 I116 Y121 G122 V123F84-L119 HydrophobicContact CB-CD1 4.09Å; F84-L119 HydrophobicContact CD1-CD1 4.08Å; F84-L119 HydrophobicContact CG-CD1 4.49Å; G115-L119 PolarHBondContact O-N 3.47Å; G115-L119 VanDerWaalsContact O-N 3.13Å; I116-L119 PolarHBondContact O-N 3.46Å; I116-L119 VanDerWaalsContact O-N 3.11Å; L119-Y121 VanDerWaalsContact C-N 3.28Å; L119-Y121 PolarHBondContact O-N 3.5Å; L119-G122 WeakPolarHBondContact O-CA 3.47Å; L119-G122 PolarHBondContact O-N 3.19Å; L119-V123 PolarHBondContact O-N 2.73Å
120A91.6Very high90.6Very high64 Ų6474.8 Ų74.853%0.52942%0.422SS..Hα-helixtrans-58.2-42.7177.600000111.5I116 G122 V123 G124I116-A120 PolarHBondContact O-N 2.88Å; A120-G122 VanDerWaalsContact C-N 3.31Å; A120-G122 PolarHBondContact O-N 3.48Å; A120-V123 PolarHBondContact O-N 3.38Å; A120-G124 PolarHBondContact O-N 2.97Å
121Y91Very high90.7Very high95 Ų9573.2 Ų73.237%0.37342%0.419SS..Hα-helixtrans-63.5-36.8175.2-173.3-123.5000112.3T81 C83 K88 P117 L119 G124 C125T81-Y121 HydrophobicContact CG2-CD1 3.75Å; T81-Y121 HydrophobicContact CG2-CE1 3.82Å; C83-Y121 HydrophobicContact CB-CD1 3.69Å; C83-Y121 HydrophobicContact CB-CE1 4.39Å; C83-Y121 HydrophobicContact CB-CG 4.48Å; K88-Y121 HydrophobicContact CB-CE1 4.03Å; K88-Y121 HydrophobicContact CG-CE1 3.97Å; P117-Y121 VanDerWaalsContact O-CB 3.24Å; P117-Y121 WeakPolarHBondContact O-CB 3.5Å; P117-Y121 PolarHBondContact O-N 3.31Å; L119-Y121 VanDerWaalsContact C-N 3.28Å; L119-Y121 PolarHBondContact O-N 3.5Å; Y121-G124 PolarHBondContact O-N 3.38Å; Y121-C125 WeakPolarHBondContact O-CB 3.29Å; Y121-C125 PolarHBondContact O-N 3.3Å; Y121-C125 PolarHBondContact O-SG 2.87Å; Y121-C125 VanDerWaalsContact O-SG 3.36Å
122G90.3Very high90.9Very high0 Ų071 Ų710%041%0.412CS..Hα-helixtrans-62.9-42.8174.700000113.6C83 F84 C118 L119 A120 C125 W126C83-G122 VanDerWaalsContact O-CA 3.31Å; C83-G122 WeakPolarHBondContact O-CA 3.25Å; F84-G122 CarbonylContact O-C 3.44Å; F84-G122 WeakPolarHBondContact O-CA 3.29Å; C118-G122 PolarHBondContact O-N 2.77Å; L119-G122 WeakPolarHBondContact O-CA 3.47Å; L119-G122 PolarHBondContact O-N 3.19Å; A120-G122 VanDerWaalsContact C-N 3.31Å; A120-G122 PolarHBondContact O-N 3.48Å; G122-C125 PolarHBondContact O-N 3Å; G122-W126 PolarHBondContact O-N 3.31Å
123V90.8Very high90.9Very high76 Ų7668.7 Ų68.746%0.46140%0.399SS..Hα-helixtrans-61.9-45.9172.6177.10000110.5L119 A120 C125 W126 M127L119-V123 PolarHBondContact O-N 2.73Å; A120-V123 PolarHBondContact O-N 3.38Å; V123-C125 PolarHBondContact O-N 2.91Å; V123-W126 WeakPolarHBondContact O-CB 3.29Å; V123-W126 PolarHBondContact O-N 3.48Å; V123-M127 HydrophobicContact CG1-CE 4.24Å; V123-M127 WeakPolarHBondContact O-CG 3.25Å; V123-M127 PolarHBondContact O-N 3.32Å; V123-M127 VanDerWaalsContact O-N 3.08Å
124G89.9Confident91.1Very high23 Ų2368.6 Ų68.624%0.23740%0.401CS..Hα-helixtrans-54.8-51.7173.800000112.4A120 Y121 W126 M127 V128A120-G124 PolarHBondContact O-N 2.97Å; Y121-G124 PolarHBondContact O-N 3.38Å; G124-W126 VanDerWaalsContact C-N 3.32Å; G124-W126 PolarHBondContact O-N 2.82Å; G124-M127 PolarHBondContact O-N 3.03Å; G124-V128 WeakPolarHBondContact O-CG2 3.3Å; G124-V128 PolarHBondContact O-N 3.3Å
125C88Confident91.5Very high9 Ų961.6 Ų61.66%0.06136%0.364CS..Hα-helixtrans-55.5-45.9175.5-74.50000111.7Y121 G122 V123 M127 V128 I129Y121-C125 WeakPolarHBondContact O-CB 3.29Å; Y121-C125 PolarHBondContact O-N 3.3Å; Y121-C125 PolarHBondContact O-SG 2.87Å; Y121-C125 VanDerWaalsContact O-SG 3.36Å; G122-C125 PolarHBondContact O-N 3Å; V123-C125 PolarHBondContact O-N 2.91Å; C125-M127 VanDerWaalsContact C-N 3.33Å; C125-M127 PolarHBondContact O-N 2.95Å; C125-V128 PolarHBondContact O-N 3.44Å; C125-I129 VanDerWaalsContact O-CG1 3.28Å; C125-I129 WeakPolarHBondContact O-CG1 3.2Å; C125-I129 PolarHBondContact O-N 3.03Å
126W88.7Confident92Very high158 Ų15865.7 Ų65.760%0.59838%0.377SS*.Hα-helixtrans-57.5-47.2179.1-161.9-26000111.5P85 F86 G122 V123 G124 V128P85-W126 HydrophobicContact CG-CD2 4.43Å; P85-W126 HydrophobicContact CG-CE3 3.69Å; P85-W126 HydrophobicContact CG-CZ3 3.75Å; F86-W126 HydrophobicContact CE2-CB 4.02Å; F86-W126 HydrophobicContact CE2-CD2 4.48Å; F86-W126 HydrophobicContact CE2-CG 4.19Å; G122-W126 PolarHBondContact O-N 3.31Å; V123-W126 WeakPolarHBondContact O-CB 3.29Å; V123-W126 PolarHBondContact O-N 3.48Å; G124-W126 VanDerWaalsContact C-N 3.32Å; G124-W126 PolarHBondContact O-N 2.82Å; W126-V128 PolarHBondContact O-N 3.31Å
127M89.8Confident92.3Very high146 Ų14661.1 Ų61.172%0.71936%0.355SS*.Hα-helixtrans-63.3-28.2-178.1-67.5-175-6300113.9V123 G124 C125V123-M127 HydrophobicContact CG1-CE 4.24Å; V123-M127 WeakPolarHBondContact O-CG 3.25Å; V123-M127 PolarHBondContact O-N 3.32Å; V123-M127 VanDerWaalsContact O-N 3.08Å; G124-M127 PolarHBondContact O-N 3.03Å; C125-M127 VanDerWaalsContact C-N 3.33Å; C125-M127 PolarHBondContact O-N 2.95Å
128V90.3Very high92.5Very high71 Ų7162.5 Ų62.543%0.4337%0.366SS..Hα-helixtrans-104.91.2-173-54.30000114.1G124 C125 W126 G130 A147G124-V128 WeakPolarHBondContact O-CG2 3.3Å; G124-V128 PolarHBondContact O-N 3.3Å; C125-V128 PolarHBondContact O-N 3.44Å; W126-V128 PolarHBondContact O-N 3.31Å; V128-G130 PolarHBondContact O-N 3Å; V128-G130 VanDerWaalsContact O-N 3.07Å; V128-A147 HydrophobicContact CG2-CB 3.94Å; V128-A147 CarbonylContact O-C 3.53Å; V128-A147 VanDerWaalsContact O-CA 3.26Å; V128-A147 WeakPolarHBondContact O-CA 3.46Å
129I91.8Very high92.6Very high49 Ų4964.4 Ų64.425%0.25138%0.377SS..  trans-62114.6176.9-78.8161000109.6F86 C125 Y145 F146F86-I129 HydrophobicContact CE1-CD1 3.87Å; F86-I129 HydrophobicContact CE2-CD1 3.84Å; F86-I129 HydrophobicContact CZ-CD1 3.42Å; F86-I129 VanDerWaalsContact CZ-CD1 3.42Å; C125-I129 VanDerWaalsContact O-CG1 3.28Å; C125-I129 WeakPolarHBondContact O-CG1 3.2Å; C125-I129 PolarHBondContact O-N 3.03Å; I129-Y145 HydrophobicContact CD1-CD1 4.39Å; I129-Y145 HydrophobicContact CD1-CG 4.13Å; I129-Y145 HydrophobicContact CG2-CD1 3.8Å; I129-Y145 HydrophobicContact CG2-CG 4.3Å; I129-F146 WeakPolarHBondContact CA-O 3Å
130G90.7Very high92.8Very high65 Ų6561.2 Ų61.267%0.6737%0.366SS*.  trans-117.1-12.7-179.900000114.3V128 F146 A147V128-G130 PolarHBondContact O-N 3Å; V128-G130 VanDerWaalsContact O-N 3.07Å; G130-F146 PolarHBondContact N-O 3.36Å; G130-A147 WeakPolarHBondContact CA-O 3.46Å; G130-A147 PolarHBondContact N-O 2.92Å; G130-A147 VanDerWaalsContact N-O 3.09Å
131A93.3Very high93.1Very high22 Ų2262.5 Ų62.518%0.18237%0.369CS..EExtended strand (participates in β ladder)trans-142.3157178.400000111.9Y145 F146 K149A131-Y145 WeakPolarHBondContact O-CA 3.24Å; A131-F146 HydrophobicContact CB-CB 4.29Å; A131-F146 PolarHBondContact N-O 3.02Å; A131-F146 PolarHBondContact O-N 3.21Å; A131-K149 HydrophobicContact CB-CB 4.11Å
132A95.3Very high93.3Very high58 Ų5858.4 Ų58.448%0.47935%0.353SS..EExtended strand (participates in β ladder)trans-142.9145.6176.300000110.5T143 V144 Y145A132-T143 HydrophobicContact CB-CG2 3.87Å; A132-V144 CarbonylContact C-O 3.52Å; A132-V144 WeakPolarHBondContact CA-O 3.49Å; A132-Y145 HydrophobicContact CB-CD1 4.01Å; A132-Y145 HydrophobicContact CB-CE1 4.34Å
133E94.9Very high93.7Very high61 Ų6160.9 Ų60.929%0.28537%0.369SS..EExtended strand (participates in β ladder)trans-130.9157.8175.2-65.7177.6178.300109.8T143 V144 F146E133-T143 WeakPolarHBondContact O-CA 3.44Å; E133-V144 HydrophobicContact CB-CG2 4.03Å; E133-V144 PolarHBondContact N-O 3.13Å; E133-V144 PolarHBondContact O-N 3.3Å; E133-F146 HydrophobicContact CB-CE2 3.85Å; E133-F146 HydrophobicContact CG-CD2 4.39Å; E133-F146 HydrophobicContact CG-CE2 3.61Å; E133-F146 HydrophobicContact CG-CZ 4.33Å; E133-F146 WeakPolarHBondContact OE2-CZ 3.49Å
134T97.2Very high94Very high70 Ų7057.2 Ų57.243%0.42935%0.347SS..EExtended strand (participates in β ladder)trans-102.4122.9176.1-60.70000110.1Q41 P141Q41-T134 PolarHBondContact NE2-O 3.06Å; T134-P141 HydrophobicContact CG2-CB 3.43Å; T134-P141 VanDerWaalsContact CG2-CB 3.43Å
135V97.5Very high94.3Very high1 Ų157.8 Ų57.81%0.00634%0.342CS..EExtended strand (participates in β ladder)trans-98.7122.2171.3-179.20000108.5V34 C37 H38 T137 P141 V142 V144V34-V135 HydrophobicContact CG1-CG1 4.42Å; C37-V135 HydrophobicContact CB-CG1 3.41Å; C37-V135 VanDerWaalsContact CB-CG1 3.41Å; H38-V135 HydrophobicContact CB-CG1 4.37Å; H38-V135 HydrophobicContact CB-CG2 3.93Å; V135-T137 HydrophobicContact CG1-CG2 4.36Å; V135-P141 CarbonylContact O-C 3.57Å; V135-P141 WeakPolarHBondContact O-CA 3.28Å; V135-V142 PolarHBondContact N-O 3.11Å; V135-V142 PolarHBondContact O-N 3.26Å; V135-V144 HydrophobicContact CG2-CB 4.4Å; V135-V144 HydrophobicContact CG2-CG1 3.69Å; V135-V144 HydrophobicContact CG2-CG2 3.79Å
136Q97.9Very high94.6Very high111 Ų11157.4 Ų57.452%0.51934%0.339SS..EExtended strand (participates in β ladder)trans-80.5123175.1-56.6-59.8-14.400109.3C37C37-Q136 WeakPolarHBondContact CB-O 3.26Å; C37-Q136 PolarHBondContact SG-O 2.88Å; C37-Q136 VanDerWaalsContact SG-O 3.37Å
137T97.3Very high94.6Very high19 Ų1951.2 Ų51.212%0.11732%0.322CS..EExtended strand (participates in β ladder)trans-119.9170.2176.276.80000110.5P29 V34 V135 V139 G140 V142P29-T137 HydrophobicContact CB-CG2 3.99Å; P29-T137 HydrophobicContact CG-CG2 3.89Å; V34-T137 HydrophobicContact CG2-CG2 3.92Å; V135-T137 HydrophobicContact CG1-CG2 4.36Å; T137-V139 PolarHBondContact O-N 3.43Å; T137-G140 WeakPolarHBondContact CB-O 3.36Å; T137-G140 PolarHBondContact N-O 2.83Å; T137-G140 VanDerWaalsContact N-O 3.11Å; T137-G140 PolarHBondContact O-N 2.9Å; T137-G140 PolarHBondContact OG1-N 3.38Å; T137-G140 PolarHBondContact OG1-O 3.23Å; T137-V142 HydrophobicContact CG2-CG2 4.13Å
138S96.2Very high94.4Very high98 Ų9852.8 Ų52.869%0.68532%0.321SS*.THydrogen-bonded Turntrans-60.1-25.7179.6620000114.1E33E33-S138 WeakPolarHBondContact OE1-CB 3.06Å; E33-S138 PolarHBondContact OE1-N 3.24Å; E33-S138 PolarHBondContact OE1-OG 3.14Å; E33-S138 PolarHBondContact OE2-OG 3.11Å
139V93.8Very high94.1Very high65 Ų6557.7 Ų57.739%0.39434%0.336SS..THydrogen-bonded Turntrans-108.34.8-178.8-58.90000113.4P27 P29 T137P27-V139 HydrophobicContact CB-CB 4.21Å; P27-V139 HydrophobicContact CB-CG1 4.27Å; P27-V139 HydrophobicContact CG-CB 4.35Å; P29-V139 HydrophobicContact CB-CG2 3.74Å; P29-V139 VanDerWaalsContact CD-CG2 3.44Å; P29-V139 HydrophobicContact CG-CG2 4Å; P29-V139 VanDerWaalsContact N-CG2 3.35Å; T137-V139 PolarHBondContact O-N 3.43Å
140G93.4Very high93.8Very high25 Ų2556.6 Ų56.626%0.25833%0.33SS..EExtended strand (participates in β ladder)trans133.4178174.700000114.6T137T137-G140 WeakPolarHBondContact CB-O 3.36Å; T137-G140 PolarHBondContact N-O 2.83Å; T137-G140 VanDerWaalsContact N-O 3.11Å; T137-G140 PolarHBondContact O-N 2.9Å; T137-G140 PolarHBondContact OG1-N 3.38Å; T137-G140 PolarHBondContact OG1-O 3.23Å
141P96.6Very high93.3Very high91 Ų9161.2 Ų61.259%0.59133%0.334SS*.EExtended strand (participates in β ladder)trans-71.3137.617927.2-33000112T134 V135T134-P141 HydrophobicContact CG2-CB 3.43Å; T134-P141 VanDerWaalsContact CG2-CB 3.43Å; V135-P141 CarbonylContact O-C 3.57Å; V135-P141 WeakPolarHBondContact O-CA 3.28Å
142V96.9Very high92.5Very high8 Ų869.5 Ų69.55%0.04837%0.369CS..EExtended strand (participates in β ladder)trans-120.1128.6172.2173.60000109.6P29 V34 V52 V135 T137P29-V142 HydrophobicContact CG-CG2 3.47Å; P29-V142 VanDerWaalsContact CG-CG2 3.47Å; V34-V142 HydrophobicContact CG1-CG1 4.38Å; V34-V142 HydrophobicContact CG2-CB 4.27Å; V34-V142 HydrophobicContact CG2-CG1 4.17Å; V34-V142 HydrophobicContact CG2-CG2 4.17Å; V52-V142 HydrophobicContact CG2-CG1 3.75Å; V135-V142 PolarHBondContact N-O 3.11Å; V135-V142 PolarHBondContact O-N 3.26Å; T137-V142 HydrophobicContact CG2-CG2 4.13Å
143T97.1Very high91.4Very high52 Ų5268.9 Ų68.932%0.31937%0.368SS..EExtended strand (participates in β ladder)trans-78.9125.5173.1-49.10000110.7A132 E133 Y145A132-T143 HydrophobicContact CB-CG2 3.87Å; E133-T143 WeakPolarHBondContact O-CA 3.44Å; T143-Y145 HydrophobicContact CG2-CD1 4.44Å; T143-Y145 HydrophobicContact CG2-CE1 3.89Å; T143-Y145 HydrophobicContact CG2-CE2 4.03Å; T143-Y145 WeakPolarHBondContact O-CE2 3.26Å
144V97.2Very high90.5Very high0 Ų067.2 Ų67.20%037%0.365CS..EExtended strand (participates in β ladder)trans-106153.2166.7-60.10000109.7V34 F50 C51 V52 A132 E133 V135 F146V34-V144 HydrophobicContact CG1-CG1 3.96Å; F50-V144 HydrophobicContact CB-CB 4.32Å; F50-V144 HydrophobicContact CD2-CB 3.86Å; F50-V144 HydrophobicContact CD2-CG1 3.72Å; F50-V144 HydrophobicContact CE2-CG1 4.09Å; F50-V144 HydrophobicContact CG-CB 4.43Å; C51-V144 CarbonylContact O-C 3.51Å; C51-V144 VanDerWaalsContact O-CA 3.31Å; C51-V144 WeakPolarHBondContact O-CA 3.25Å; V52-V144 HydrophobicContact CB-CG1 4.39Å; A132-V144 CarbonylContact C-O 3.52Å; A132-V144 WeakPolarHBondContact CA-O 3.49Å; E133-V144 HydrophobicContact CB-CG2 4.03Å; E133-V144 PolarHBondContact N-O 3.13Å; E133-V144 PolarHBondContact O-N 3.3Å; V135-V144 HydrophobicContact CG2-CB 4.4Å; V135-V144 HydrophobicContact CG2-CG1 3.69Å; V135-V144 HydrophobicContact CG2-CG2 3.79Å; V144-F146 HydrophobicContact CG2-CE2 3.82Å; V144-F146 HydrophobicContact CG2-CZ 4Å
145Y96.3Very high89.3Confident34 Ų3470.2 Ų70.213%0.13337%0.374CS..EExtended strand (participates in β ladder)trans-125.5146.5-171.6-54.8-94.1000110.7F50 C51 R53 F86 I129 A131 A132 T143F50-Y145 CarbonylContact C-O 3.55Å; F50-Y145 WeakPolarHBondContact CA-O 3.25Å; C51-Y145 PolarHBondContact N-O 3.42Å; C51-Y145 PolarHBondContact O-N 3.03Å; R53-Y145 HydrophobicContact CG-CE2 3.84Å; R53-Y145 PolarHBondContact NE-OH 2.93Å; R53-Y145 VanDerWaalsContact NE-OH 3.15Å; F86-Y145 HydrophobicContact CD1-CD2 4.37Å; F86-Y145 AromaticContact CE1-CD2 3.96Å; F86-Y145 HydrophobicContact CE1-CD2 3.96Å; F86-Y145 HydrophobicContact CE1-CE2 4.2Å; F86-Y145 HydrophobicContact CE1-CG 4.45Å; I129-Y145 HydrophobicContact CD1-CD1 4.39Å; I129-Y145 HydrophobicContact CD1-CG 4.13Å; I129-Y145 HydrophobicContact CG2-CD1 3.8Å; I129-Y145 HydrophobicContact CG2-CG 4.3Å; A131-Y145 WeakPolarHBondContact O-CA 3.24Å; A132-Y145 HydrophobicContact CB-CD1 4.01Å; A132-Y145 HydrophobicContact CB-CE1 4.34Å; T143-Y145 HydrophobicContact CG2-CD1 4.44Å; T143-Y145 HydrophobicContact CG2-CE1 3.89Å; T143-Y145 HydrophobicContact CG2-CE2 4.03Å; T143-Y145 WeakPolarHBondContact O-CE2 3.26Å
146F94.5Very high87.7Confident1 Ų180.9 Ų80.90%0.00442%0.416CS..EExtended strand (participates in β ladder)trans-127.7151.3178.5-53.4-99.2000109.5H38 S49 F50 I129 G130 A131 E133 V144 Y148 E150H38-F146 AromaticContact CE1-CZ 3.71Å; S49-F146 WeakPolarHBondContact O-CD1 3.41Å; F50-F146 HydrophobicContact CB-CD1 4.01Å; F50-F146 HydrophobicContact CB-CE1 3.57Å; F50-F146 HydrophobicContact CB-CZ 3.88Å; I129-F146 WeakPolarHBondContact CA-O 3Å; G130-F146 PolarHBondContact N-O 3.36Å; A131-F146 HydrophobicContact CB-CB 4.29Å; A131-F146 PolarHBondContact N-O 3.02Å; A131-F146 PolarHBondContact O-N 3.21Å; E133-F146 HydrophobicContact CB-CE2 3.85Å; E133-F146 HydrophobicContact CG-CD2 4.39Å; E133-F146 HydrophobicContact CG-CE2 3.61Å; E133-F146 HydrophobicContact CG-CZ 4.33Å; E133-F146 WeakPolarHBondContact OE2-CZ 3.49Å; V144-F146 HydrophobicContact CG2-CE2 3.82Å; V144-F146 HydrophobicContact CG2-CZ 4Å; F146-Y148 VanDerWaalsContact C-N 3.34Å; F146-Y148 WeakPolarHBondContact CB-O 3.41Å; F146-E150 HydrophobicContact CD1-CG 3.9Å; F146-E150 WeakPolarHBondContact CD1-OE1 3.44Å; F146-E150 HydrophobicContact CE1-CG 4.34Å
147A88.8Confident87.2Confident28 Ų2879.4 Ų79.423%0.23141%0.411CS..SBendtrans-64.8-45.5171.600000110.1V128 G130V128-A147 HydrophobicContact CG2-CB 3.94Å; V128-A147 CarbonylContact O-C 3.53Å; V128-A147 VanDerWaalsContact O-CA 3.26Å; V128-A147 WeakPolarHBondContact O-CA 3.46Å; G130-A147 WeakPolarHBondContact CA-O 3.46Å; G130-A147 PolarHBondContact N-O 2.92Å; G130-A147 VanDerWaalsContact N-O 3.09Å
148Y85.8Confident86.6Confident179 Ų17982.6 Ų82.670%0.70243%0.427SS*.SBendtrans-131.6156.5176-52.6-76.2000109F146 E150F146-Y148 VanDerWaalsContact C-N 3.34Å; F146-Y148 WeakPolarHBondContact CB-O 3.41Å; Y148-E150 PolarHBondContact O-N 2.95Å; Y148-E150 VanDerWaalsContact O-N 3.12Å
149K84.6Confident86.1Confident175 Ų17581.7 Ų81.776%0.76141%0.412SS*.PPolyproline II helixtrans-63.5116.5171.3-171.3178.9-179.4-176.50108.1A131A131-K149 HydrophobicContact CB-CB 4.11Å
150E85.1Confident85.6Confident26 Ų2682.7 Ų82.712%0.12141%0.413CS..PPolyproline II helixtrans-72.2140.6177.8-66.8-178.317500109.8R42 W47 T48 S49 F146 Y148R42-E150 IonicContact CZ-OE2 3.05Å; R42-E150 IonicContact NH1-OE2 2.75Å; R42-E150 PolarHBondContact NH1-OE2 3.47Å; R42-E150 IonicContact NH2-OE2 2.6Å; R42-E150 PolarHBondContact NH2-OE2 3.05Å; W47-E150 HydrophobicContact CZ3-CG 4.27Å; W47-E150 WeakPolarHBondContact CZ3-OE1 3.49Å; T48-E150 PolarHBondContact OG1-OE2 2.76Å; S49-E150 WeakPolarHBondContact CA-OE1 3.41Å; S49-E150 PolarHBondContact N-OE1 2.96Å; F146-E150 HydrophobicContact CD1-CG 3.9Å; F146-E150 WeakPolarHBondContact CD1-OE1 3.44Å; F146-E150 HydrophobicContact CE1-CG 4.34Å; Y148-E150 PolarHBondContact O-N 2.95Å; Y148-E150 VanDerWaalsContact O-N 3.12Å
151E81Confident85.2Confident161 Ų16186.3 Ų86.375%0.75242%0.423SS*.PPolyproline II helixtrans-77.1140.5172.3-65.2-169.9170.900110.5G153 A154E151-G153 PolarHBondContact O-N 3.29Å; E151-A154 WeakPolarHBondContact O-CB 3.37Å; E151-A154 PolarHBondContact O-N 3.03Å
152E75.2Confident84.4Confident196 Ų19686 Ų8692%0.91641%0.412SS*.THydrogen-bonded Turntrans-62.2122.3174.5-73.4-173.5-178.800110
153G73.3Confident83.5Confident45 Ų4591.6 Ų91.646%0.46444%0.438SS..THydrogen-bonded Turntrans88.59.2179.300000115.5E151 Q155E151-G153 PolarHBondContact O-N 3.29Å; G153-Q155 PolarHBondContact O-N 2.83Å; G153-Q155 PolarHBondContact O-NE2 3.48Å
154A74.2Confident82.5Confident26 Ų2694.6 Ų94.622%0.21545%0.447CS..  trans-50129.6171.900000111.6P46 E151P46-A154 WeakPolarHBondContact CG-O 3.45Å; E151-A154 WeakPolarHBondContact O-CB 3.37Å; E151-A154 PolarHBondContact O-N 3.03Å
155Q73.9Confident81.2Confident134 Ų134102.5 Ų102.563%0.62648%0.484SS*.  trans-87.4-18.2-178.3-60.3-62.6-53.600112.5G153G153-Q155 PolarHBondContact O-N 2.83Å; G153-Q155 PolarHBondContact O-NE2 3.48Å
156Y62.3Low79.9Confident225 Ų225108.7 Ų108.788%0.88252%0.516SS*.  trans-155.40-176.248.3-99.9000111.7W47W47-Y156 WeakPolarHBondContact CZ2-OXT 3.31Å

Retrieved 156 of 156 residues in 245.8 ms (Link to these results)

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