A0A060XJK0_ONCMY Loading...

Potassium channel tetramerization domain containing 4

AlphaFold DB , UniProt , Accession A0A060XJK0, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110501706, Length 256 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
1M51.2Low51.2Low237 Ų237142.9 Ų142.9100%1.16767%0.667SS**  014.10-89.1-173.9-8600113.6
2E51.8Low51.1Low156 Ų156139.9 Ų139.973%0.72966%0.658SS**  trans-99.1-7.2176.6-74.6-176.8129.900114.5N4E2-N4 VanDerWaalsContact C-N 3.31Å; E2-N4 PolarHBondContact O-N 3.32Å
3W41.5Very low51Low195 Ų195145.2 Ų145.274%0.73967%0.668SS**THydrogen-bonded Turntrans-75.3-17.8-173.1-153.278000113.9
4N54.8Low51Low120 Ų120146.6 Ų146.664%0.64268%0.675SS**THydrogen-bonded Turntrans-92.9-22.6-179.3-77.1-27.9000114.3E2 M8E2-N4 VanDerWaalsContact C-N 3.31Å; E2-N4 PolarHBondContact O-N 3.32Å; N4-M8 PolarHBondContact O-N 3.12Å
5L49.4Very low51.2Low121 Ų121143.6 Ų143.663%0.63467%0.665SS**Hα-helixtrans-75.9-40.2-179-93133.3000112.4R7 M8 D9L5-R7 VanDerWaalsContact C-N 3.31Å; L5-R7 PolarHBondContact O-N 2.93Å; L5-M8 PolarHBondContact O-N 2.64Å; L5-D9 PolarHBondContact O-N 3.1Å
6R55.3Low51.2Low203 Ų203140.8 Ų140.877%0.76666%0.656SS**Hα-helixtrans-69.9-27.7178.7-64.8-170.6-174.5-151.92.5113.3S10R6-S10 VanDerWaalsContact O-CB 3.3Å; R6-S10 WeakPolarHBondContact O-CB 3.13Å; R6-S10 PolarHBondContact O-N 3.02Å; R6-S10 VanDerWaalsContact O-N 3.12Å
7R53.3Low51.3Low142 Ų142137.9 Ų137.954%0.53666%0.655SS.*Hα-helixtrans-72.6-40.3176.7-164.6172.7-176.5149.40.5111.3L5 S10 E11L5-R7 VanDerWaalsContact C-N 3.31Å; L5-R7 PolarHBondContact O-N 2.93Å; R7-S10 WeakPolarHBondContact O-CB 3.34Å; R7-S10 PolarHBondContact O-N 2.93Å; R7-E11 WeakPolarHBondContact O-CG 3.35Å; R7-E11 PolarHBondContact O-N 3Å
8M48.6Very low51.2Low118 Ų118135.5 Ų135.558%0.58165%0.647SS**Hα-helixtrans-70.3-37.4176.4-141.2155.662.800112.1N4 L5 S10 E11 L12N4-M8 PolarHBondContact O-N 3.12Å; L5-M8 PolarHBondContact O-N 2.64Å; M8-S10 VanDerWaalsContact C-N 3.32Å; M8-S10 PolarHBondContact O-N 3.26Å; M8-E11 PolarHBondContact O-N 3.26Å; M8-L12 WeakPolarHBondContact O-CB 3.41Å; M8-L12 VanDerWaalsContact O-CG 3.31Å; M8-L12 WeakPolarHBondContact O-CG 3.34Å; M8-L12 PolarHBondContact O-N 3.29Å
9D52.4Low51.1Low93 Ų93135.7 Ų135.750%0.49765%0.651SS.*Hα-helixtrans-69.6-28.9175.3-122.230.4000112.9L5 R13L5-D9 PolarHBondContact O-N 3.1Å; D9-R13 VanDerWaalsContact O-CG 3.29Å; D9-R13 WeakPolarHBondContact O-CG 3.49Å; D9-R13 PolarHBondContact O-N 2.94Å
10S52.2Low51.1Low72 Ų72137 Ų13750%0.50366%0.661SS.*Hα-helixtrans-72.5-39.6172.31760000112.1R6 R7 M8 R13R6-S10 VanDerWaalsContact O-CB 3.3Å; R6-S10 WeakPolarHBondContact O-CB 3.13Å; R6-S10 PolarHBondContact O-N 3.02Å; R6-S10 VanDerWaalsContact O-N 3.12Å; R7-S10 WeakPolarHBondContact O-CB 3.34Å; R7-S10 PolarHBondContact O-N 2.93Å; M8-S10 VanDerWaalsContact C-N 3.32Å; M8-S10 PolarHBondContact O-N 3.26Å; S10-R13 PolarHBondContact O-N 3.3Å
11E52.6Low51.2Low115 Ų115134.5 Ų134.554%0.53765%0.648SS.*Hα-helixtrans-72.9-33.2178.4-75174.6-176.400112.2R7 M8 R13 Q14R7-E11 WeakPolarHBondContact O-CG 3.35Å; R7-E11 PolarHBondContact O-N 3Å; M8-E11 PolarHBondContact O-N 3.26Å; E11-R13 VanDerWaalsContact C-N 3.34Å; E11-R13 PolarHBondContact O-N 2.84Å; E11-Q14 PolarHBondContact O-N 2.85Å
12L49.9Very low50.8Low107 Ų107128.9 Ų128.956%0.5663%0.63SS**Hα-helixtrans-71.4-25.8174.4-71.8172.1000113.4M8 Q14 I15M8-L12 WeakPolarHBondContact O-CB 3.41Å; M8-L12 VanDerWaalsContact O-CG 3.31Å; M8-L12 WeakPolarHBondContact O-CG 3.34Å; M8-L12 PolarHBondContact O-N 3.29Å; L12-Q14 VanDerWaalsContact C-N 3.3Å; L12-I15 HydrophobicContact CD2-CD1 3.88Å
13R49.7Very low50.5Low209 Ų209126.7 Ų126.779%0.78963%0.631SS**THydrogen-bonded Turntrans-81.6-7.3174.9-72.3176.7-172.2-128.33113.8D9 S10 E11D9-R13 VanDerWaalsContact O-CG 3.29Å; D9-R13 WeakPolarHBondContact O-CG 3.49Å; D9-R13 PolarHBondContact O-N 2.94Å; S10-R13 PolarHBondContact O-N 3.3Å; E11-R13 VanDerWaalsContact C-N 3.34Å; E11-R13 PolarHBondContact O-N 2.84Å
14Q50.8Low50.7Low164 Ų164124.9 Ų124.977%0.76663%0.629SS**THydrogen-bonded Turntrans-101.59.7174.4-94.4-174.8-1600113.5E11 L12 N16E11-Q14 PolarHBondContact O-N 2.85Å; L12-Q14 VanDerWaalsContact C-N 3.3Å; Q14-N16 PolarHBondContact O-N 3.47Å; Q14-N16 VanDerWaalsContact O-N 3.15Å
15I54.9Low50.4Low102 Ų102124.2 Ų124.252%0.52363%0.634SS.*SBendtrans-69.7114.3169.8-62.6175.6000108L12 S17 L19L12-I15 HydrophobicContact CD2-CD1 3.88Å; I15-S17 PolarHBondContact O-N 3.43Å; I15-L19 HydrophobicContact CG2-CD1 3.93Å
16N51.3Low50Low98 Ų98125.6 Ų125.652%0.52464%0.64SS.*  trans-46.6126-175.6-142.817.3000111.6Q14 D18 L19Q14-N16 PolarHBondContact O-N 3.47Å; Q14-N16 VanDerWaalsContact O-N 3.15Å; N16-D18 HydrophobicContact CB-CB 4.46Å; N16-D18 PolarHBondContact ND2-OD2 2.89Å; N16-D18 PolarHBondContact O-N 2.54Å; N16-L19 PolarHBondContact O-N 2.89Å; N16-L19 VanDerWaalsContact O-N 3.09Å
17S51.7Low49.6Very low92 Ų92125.3 Ų125.364%0.64364%0.644SS**G310 helixtrans-62.7-7175.768.50000113.3I15 L19I15-S17 PolarHBondContact O-N 3.43Å; S17-L19 VanDerWaalsContact C-N 3.32Å
18D50.9Low49.1Very low95 Ų95127 Ų12751%0.50866%0.655SS.*G310 helixtrans-71.5-21.3174-65.6-29.7000113.7N16 L20N16-D18 HydrophobicContact CB-CB 4.46Å; N16-D18 PolarHBondContact ND2-OD2 2.89Å; N16-D18 PolarHBondContact O-N 2.54Å; D18-L20 VanDerWaalsContact C-N 3.29Å; D18-L20 PolarHBondContact O-N 3.48Å
19L48.7Very low48.7Very low140 Ų140126.8 Ų126.873%0.73366%0.663SS**G310 helixtrans-79-10.6179-72.8167.8000113.7I15 N16 S17I15-L19 HydrophobicContact CG2-CD1 3.93Å; N16-L19 PolarHBondContact O-N 2.89Å; N16-L19 VanDerWaalsContact O-N 3.09Å; S17-L19 VanDerWaalsContact C-N 3.32Å
20L51.3Low48.8Very low161 Ų161127.6 Ų127.684%0.84368%0.676SS**G310 helixtrans-107.94.8178.4-83.5154.8000113.3D18D18-L20 VanDerWaalsContact C-N 3.29Å; D18-L20 PolarHBondContact O-N 3.48Å
21Q52.2Low49.2Very low84 Ų84127.6 Ų127.639%0.39368%0.676SS.*SBendtrans-71.8131.1168-65.7-168.412.300108.6S23 K24Q21-S23 PolarHBondContact O-N 2.81Å; Q21-K24 VanDerWaalsContact OE1-CE 3.27Å
22P43.8Very low50.8Low120 Ų120124.2 Ų124.278%0.77967%0.672SS**  trans-52.4125.4169.122-30.2000106.5K24P22-K24 PolarHBondContact O-N 3.13Å
23S46Very low52.7Low109 Ų109121.7 Ų121.776%0.76266%0.661SS**  trans-38.3103.7-173.255.80000109.4Q21 S25Q21-S23 PolarHBondContact O-N 2.81Å; S23-S25 PolarHBondContact O-N 2.88Å
24K43.8Very low54.7Low158 Ų158112.6 Ų112.669%0.68763%0.628SS**  trans-54.5113.3168.2-83.1173.6176.21530103.6Q21 P22 I26Q21-K24 VanDerWaalsContact OE1-CE 3.27Å; P22-K24 PolarHBondContact O-N 3.13Å; K24-I26 PolarHBondContact O-N 3.31Å
25S48.6Very low56.9Low106 Ų106107.1 Ų107.174%0.74161%0.606SS**  trans-44.2110.9176.9-37.70000105.5S23 K27S23-S25 PolarHBondContact O-N 2.88Å; S25-K27 PolarHBondContact O-N 3.15Å
26I41.7Very low58.8Low150 Ų150102.3 Ų102.377%0.76958%0.581SS**  trans-58.199.8164.2-67.2170.1000101.7K24 K28K24-I26 PolarHBondContact O-N 3.31Å; I26-K28 PolarHBondContact O-N 3.03Å
27K46.3Very low61Low197 Ų19798.5 Ų98.586%0.85756%0.561SS**  trans-61.689.3163.2-78.3-171178.8-178.40102.8S25S25-K27 PolarHBondContact O-N 3.15Å
28K43.3Very low63.1Low176 Ų17694.1 Ų94.177%0.76553%0.53SS*.  trans-49.1127.6172.8-108.7179.1176.6176.30104.5I26 S30I26-K28 PolarHBondContact O-N 3.03Å; K28-S30 PolarHBondContact O-N 3.45Å; K28-S30 VanDerWaalsContact O-N 3.12Å
29P40.6Very low65.3Low115 Ų11591.2 Ų91.275%0.74752%0.523SS*.  trans-50.6129.4169.323.2-31.3000105.7S31P29-S31 VanDerWaalsContact C-N 3.29Å; P29-S31 PolarHBondContact O-N 3.36Å
30S55.2Low67.5Low110 Ų11087.1 Ų87.177%0.76951%0.514SS*.  trans-48.896.1-178.150.80000108.5K28 G32K28-S30 PolarHBondContact O-N 3.45Å; K28-S30 VanDerWaalsContact O-N 3.12Å; S30-G32 PolarHBondContact O-N 2.9Å
31S60.4Low69.7Low71 Ų7184.2 Ų84.250%0.49750%0.495SS..  trans-61.2117.9177.258.10000104.3P29 T33 R47P29-S31 VanDerWaalsContact C-N 3.29Å; P29-S31 PolarHBondContact O-N 3.36Å; S31-T33 PolarHBondContact O-N 3.47Å; S31-T33 PolarHBondContact OG-O 2.93Å; S31-R47 PolarHBondContact O-NE 3.23Å
32G85.3Confident71.8Confident44 Ų4484.9 Ų84.945%0.45450%0.501SS..SBendtrans-57.3-10.1178.300000112.2S30 H46 R47S30-G32 PolarHBondContact O-N 2.9Å; G32-H46 CarbonylContact O-C 3.54Å; G32-H46 WeakPolarHBondContact O-CA 3.34Å; G32-R47 PolarHBondContact O-N 2.84Å
33T90.8Very high74.4Confident55 Ų5580.9 Ų80.934%0.33747%0.47SS..EExtended strand (participates in β ladder)trans-107.5143.8175.6-44.60000111.2S31 A44 A45S31-T33 PolarHBondContact O-N 3.47Å; S31-T33 PolarHBondContact OG-O 2.93Å; T33-A44 HydrophobicContact CG2-CB 4.27Å; T33-A45 CarbonylContact C-O 3.55Å; T33-A45 VanDerWaalsContact CA-O 3.25Å; T33-A45 WeakPolarHBondContact CA-O 3.41Å; T33-A45 VanDerWaalsContact CG2-O 3.27Å; T33-A45 WeakPolarHBondContact CG2-O 3.32Å
34I91.9Very high76.8Confident18 Ų1878.4 Ų78.49%0.09246%0.456CS..EExtended strand (participates in β ladder)trans-126.8142.4171.4-177.2171.8000108.4L36 A45 R47 L50 P77I34-L36 HydrophobicContact CD1-CD2 4.19Å; I34-L36 HydrophobicContact CG1-CD2 4.31Å; I34-A45 PolarHBondContact N-O 2.93Å; I34-A45 PolarHBondContact O-N 2.75Å; I34-R47 HydrophobicContact CB-CG 4.36Å; I34-R47 HydrophobicContact CG2-CG 4.14Å; I34-L50 HydrophobicContact CG2-CD1 3.38Å; I34-L50 HydrophobicContact CG2-CG 4.49Å; I34-P77 HydrophobicContact CD1-CG 4.34Å
35T95.4Very high79.3Confident49 Ų4971.2 Ų71.230%0.30143%0.426SS..EExtended strand (participates in β ladder)trans-102.5132.5172.9-57.40000108.6L42 Y43 N76 P77T35-L42 HydrophobicContact CG2-CD2 4.38Å; T35-Y43 CarbonylContact C-O 3.53Å; T35-Y43 VanDerWaalsContact CA-O 3.31Å; T35-Y43 WeakPolarHBondContact CA-O 3.39Å; T35-N76 WeakPolarHBondContact CB-OD1 3.29Å; T35-N76 HydrophobicContact CG2-CB 4.45Å; T35-P77 WeakPolarHBondContact O-CD 3.47Å
36L95.4Very high81.5Confident1 Ų171.1 Ų71.11%0.00541%0.414CS..EExtended strand (participates in β ladder)trans-115141.7176.1-57.6175.6000109I34 V38 L42 Y43 L50 L58 P77 I79 F86I34-L36 HydrophobicContact CD1-CD2 4.19Å; I34-L36 HydrophobicContact CG1-CD2 4.31Å; L36-V38 HydrophobicContact CB-CG2 4.29Å; L36-L42 CarbonylContact O-C 3.56Å; L36-L42 WeakPolarHBondContact O-CA 3.4Å; L36-Y43 PolarHBondContact N-O 2.8Å; L36-Y43 PolarHBondContact O-N 2.84Å; L36-L50 HydrophobicContact CD1-CD1 3.89Å; L36-L50 HydrophobicContact CD1-CD2 4.29Å; L36-L50 HydrophobicContact CG-CD1 4.46Å; L36-L58 HydrophobicContact CD1-CD2 4.14Å; L36-P77 HydrophobicContact CD2-CB 4Å; L36-P77 HydrophobicContact CD2-CG 4.25Å; L36-I79 HydrophobicContact CD1-CD1 4.32Å; L36-F86 HydrophobicContact CD1-CE1 4.45Å; L36-F86 HydrophobicContact CD1-CZ 4.03Å
37N96.7Very high83.9Confident18 Ų1868.1 Ų68.110%0.09639%0.393CS..EExtended strand (participates in β ladder)trans-105.1109.9168.9-173.3-28.3000108.8G40 F41 L42 D72 N76 P77 F78 I79N37-G40 WeakPolarHBondContact OD1-CA 3.33Å; N37-G40 PolarHBondContact OD1-N 2.89Å; N37-F41 WeakPolarHBondContact CA-O 3.22Å; N37-L42 HydrophobicContact CB-CD2 3.71Å; N37-D72 HydrophobicContact CB-CB 4.33Å; N37-D72 WeakPolarHBondContact CB-OD2 3.34Å; N37-D72 WeakPolarHBondContact ND2-CB 3.36Å; N37-D72 PolarHBondContact ND2-OD2 3.4Å; N37-N76 HydrophobicContact CB-CB 4.48Å; N37-P77 PolarHBondContact N-O 2.83Å; N37-F78 HydrophobicContact CB-CD2 4.02Å; N37-F78 CarbonylContact O-C 3.57Å; N37-F78 VanDerWaalsContact O-CA 3.31Å; N37-F78 WeakPolarHBondContact O-CA 3.2Å; N37-I79 PolarHBondContact O-N 2.79Å
38V97.3Very high86.2Confident0 Ų064 Ų640%039%0.385CS..EExtended strand (participates in β ladder)trans-111.1103.6-177.2-171.60000108.9L36 G40 F41 Y43 I79 R81 G83 F86L36-V38 HydrophobicContact CB-CG2 4.29Å; V38-G40 PolarHBondContact O-N 2.96Å; V38-G40 VanDerWaalsContact O-N 3.13Å; V38-F41 PolarHBondContact N-O 2.83Å; V38-F41 WeakPolarHBondContact O-CB 3.32Å; V38-F41 PolarHBondContact O-N 2.87Å; V38-Y43 HydrophobicContact CB-CD2 4.28Å; V38-Y43 HydrophobicContact CB-CE2 4.41Å; V38-Y43 HydrophobicContact CG2-CD2 4.09Å; V38-I79 CarbonylContact C-O 3.53Å; V38-I79 WeakPolarHBondContact CA-O 3.06Å; V38-I79 HydrophobicContact CG1-CB 4.46Å; V38-I79 HydrophobicContact CG1-CG2 4.46Å; V38-I79 HydrophobicContact CG2-CB 4.34Å; V38-I79 HydrophobicContact CG2-CD1 4.22Å; V38-R81 HydrophobicContact CG1-CB 4.08Å; V38-G83 VanDerWaalsContact O-CA 3.28Å; V38-G83 WeakPolarHBondContact O-CA 3.47Å; V38-F86 HydrophobicContact CB-CB 4.47Å; V38-F86 HydrophobicContact CB-CG 4.35Å; V38-F86 HydrophobicContact CG1-CB 4.04Å; V38-F86 HydrophobicContact CG1-CD2 4.24Å; V38-F86 HydrophobicContact CG1-CG 4.12Å; V38-F86 HydrophobicContact CG2-CD1 3.91Å; V38-F86 HydrophobicContact CG2-CD2 4.19Å; V38-F86 HydrophobicContact CG2-CE1 4.05Å; V38-F86 HydrophobicContact CG2-CE2 4.33Å; V38-F86 HydrophobicContact CG2-CG 3.97Å; V38-F86 HydrophobicContact CG2-CZ 4.26Å
39G95.8Very high88.7Confident34 Ų3456.4 Ų56.435%0.35135%0.353SS..THydrogen-bonded Turntrans57.228.9-179.100000114.1I79 R81G39-I79 PolarHBondContact N-O 2.87Å; G39-R81 VanDerWaalsContact CA-O 3.24Å; G39-R81 WeakPolarHBondContact CA-O 3.3Å; G39-R81 PolarHBondContact N-O 2.63Å
40G95.3Very high91.3Very high53 Ų5351 Ų5155%0.54632%0.317SS..THydrogen-bonded Turntrans97.1-8-175.400000114.8N37 V38N37-G40 WeakPolarHBondContact OD1-CA 3.33Å; N37-G40 PolarHBondContact OD1-N 2.89Å; V38-G40 PolarHBondContact O-N 2.96Å; V38-G40 VanDerWaalsContact O-N 3.13Å
41F97.8Very high93.1Very high101 Ų10147.7 Ų47.744%0.44330%0.295SS..EExtended strand (participates in β ladder)trans-96.3123.6179.7-67-103000110.9N37 V38 Y43 P84N37-F41 WeakPolarHBondContact CA-O 3.22Å; V38-F41 PolarHBondContact N-O 2.83Å; V38-F41 WeakPolarHBondContact O-CB 3.32Å; V38-F41 PolarHBondContact O-N 2.87Å; F41-Y43 HydrophobicContact CB-CD2 4.25Å; F41-Y43 HydrophobicContact CB-CE2 3.63Å; F41-Y43 WeakPolarHBondContact O-CD2 3.36Å; F41-P84 HydrophobicContact CE1-CG 4.12Å; F41-P84 HydrophobicContact CE2-CG 4.01Å; F41-P84 HydrophobicContact CZ-CG 3.7Å
42L97.2Very high94.5Very high98 Ų9850.8 Ų50.851%0.51330%0.295SS..EExtended strand (participates in β ladder)trans-85.5124.3179.6-63.9179.1000111.5T35 L36 N37T35-L42 HydrophobicContact CG2-CD2 4.38Å; L36-L42 CarbonylContact O-C 3.56Å; L36-L42 WeakPolarHBondContact O-CA 3.4Å; N37-L42 HydrophobicContact CB-CD2 3.71Å
43Y97.8Very high94.8Very high36 Ų3651.2 Ų51.214%0.14129%0.285CS..EExtended strand (participates in β ladder)trans-122.1124.2176.9-72.9-82.3000110.7T35 L36 V38 F41 G83 F86 R87 L90T35-Y43 CarbonylContact C-O 3.53Å; T35-Y43 VanDerWaalsContact CA-O 3.31Å; T35-Y43 WeakPolarHBondContact CA-O 3.39Å; L36-Y43 PolarHBondContact N-O 2.8Å; L36-Y43 PolarHBondContact O-N 2.84Å; V38-Y43 HydrophobicContact CB-CD2 4.28Å; V38-Y43 HydrophobicContact CB-CE2 4.41Å; V38-Y43 HydrophobicContact CG2-CD2 4.09Å; F41-Y43 HydrophobicContact CB-CD2 4.25Å; F41-Y43 HydrophobicContact CB-CE2 3.63Å; F41-Y43 WeakPolarHBondContact O-CD2 3.36Å; Y43-G83 WeakPolarHBondContact CE2-O 3.43Å; Y43-G83 PolarHBondContact OH-O 2.73Å; Y43-F86 HydrophobicContact CD1-CD1 4.05Å; Y43-F86 HydrophobicContact CD1-CE1 4.45Å; Y43-F86 AromaticContact CD2-CD1 3.48Å; Y43-F86 HydrophobicContact CD2-CD1 3.48Å; Y43-F86 VanDerWaalsContact CD2-CD1 3.48Å; Y43-F86 HydrophobicContact CD2-CE1 4.05Å; Y43-F86 HydrophobicContact CD2-CG 4.41Å; Y43-F86 HydrophobicContact CE1-CD1 4.24Å; Y43-F86 HydrophobicContact CE2-CB 4.04Å; Y43-F86 AromaticContact CE2-CD1 3.66Å; Y43-F86 HydrophobicContact CE2-CD1 3.66Å; Y43-F86 HydrophobicContact CE2-CG 4.28Å; Y43-F86 AromaticContact CG-CD1 3.67Å; Y43-F86 HydrophobicContact CG-CD1 3.67Å; Y43-F86 AromaticContact CG-CE1 3.93Å; Y43-F86 HydrophobicContact CG-CE1 3.93Å; Y43-R87 HydrophobicContact CE1-CB 4.21Å; Y43-R87 PolarHBondContact OH-N 3.4Å; Y43-L90 HydrophobicContact CD1-CD2 3.86Å; Y43-L90 HydrophobicContact CG-CD2 4.42Å
44A96Very high94.8Very high57 Ų5757 Ų5747%0.47131%0.308SS..EExtended strand (participates in β ladder)trans-100.1131.3170.700000110.5T33 R94T33-A44 HydrophobicContact CG2-CB 4.27Å; A44-R94 PolarHBondContact O-NH2 3.42Å
45A95.7Very high94.7Very high6 Ų657.9 Ų57.95%0.0532%0.323CS..EExtended strand (participates in β ladder)trans-147154.4-179.200000111.8T33 I34 L50 L90T33-A45 CarbonylContact C-O 3.55Å; T33-A45 VanDerWaalsContact CA-O 3.25Å; T33-A45 WeakPolarHBondContact CA-O 3.41Å; T33-A45 VanDerWaalsContact CG2-O 3.27Å; T33-A45 WeakPolarHBondContact CG2-O 3.32Å; I34-A45 PolarHBondContact N-O 2.93Å; I34-A45 PolarHBondContact O-N 2.75Å; A45-L50 HydrophobicContact CB-CD1 4.5Å; A45-L50 HydrophobicContact CB-CD2 4.08Å; A45-L50 HydrophobicContact CB-CG 4.14Å; A45-L90 HydrophobicContact CB-CD1 3.74Å; A45-L90 HydrophobicContact CB-CD2 4.37Å
46H95.4Very high94.6Very high104 Ų10455.6 Ų55.648%0.48131%0.308SS..EExtended strand (participates in β ladder)trans-69.8143.6169.5-67.7-70.3000110.6G32 T48 T49 L50G32-H46 CarbonylContact O-C 3.54Å; G32-H46 WeakPolarHBondContact O-CA 3.34Å; H46-T48 WeakPolarHBondContact CB-OG1 3.5Å; H46-T48 PolarHBondContact O-N 2.89Å; H46-T49 VanDerWaalsContact O-CB 3.3Å; H46-T49 WeakPolarHBondContact O-CB 3.4Å; H46-T49 PolarHBondContact O-N 2.93Å; H46-L50 PolarHBondContact O-N 3.33Å
47R92.9Very high94.5Very high87 Ų8756 Ų5633%0.32831%0.311SS..Hα-helixtrans-57.4-37.8173.5-67.6-177.7-179.8-88.9-3.5111S31 G32 I34 T49 L50 S51 A62S31-R47 PolarHBondContact O-NE 3.23Å; G32-R47 PolarHBondContact O-N 2.84Å; I34-R47 HydrophobicContact CB-CG 4.36Å; I34-R47 HydrophobicContact CG2-CG 4.14Å; R47-T49 VanDerWaalsContact C-N 3.29Å; R47-T49 PolarHBondContact O-N 2.85Å; R47-L50 PolarHBondContact O-N 3.28Å; R47-S51 WeakPolarHBondContact O-CB 3.46Å; R47-S51 PolarHBondContact O-N 2.93Å; R47-S51 PolarHBondContact O-OG 3.5Å; R47-S51 VanDerWaalsContact O-OG 3.13Å; R47-A62 HydrophobicContact CB-CB 4.38Å; R47-A62 PolarHBondContact NH1-O 3.09Å
48T94.1Very high94.4Very high112 Ų11255.1 Ų55.169%0.68731%0.306SS*.Hα-helixtrans-61.4-34.4175.252.20000113.2H46 R52H46-T48 WeakPolarHBondContact CB-OG1 3.5Å; H46-T48 PolarHBondContact O-N 2.89Å; T48-R52 PolarHBondContact O-N 3.45Å
49T95.3Very high94.2Very high16 Ų1656.2 Ų56.210%0.09831%0.311CS..Hα-helixtrans-66.6-49.2174.1-560000110.8H46 R47 S51 R52 L90 L93 R94H46-T49 VanDerWaalsContact O-CB 3.3Å; H46-T49 WeakPolarHBondContact O-CB 3.4Å; H46-T49 PolarHBondContact O-N 2.93Å; R47-T49 VanDerWaalsContact C-N 3.29Å; R47-T49 PolarHBondContact O-N 2.85Å; T49-S51 VanDerWaalsContact C-N 3.29Å; T49-S51 PolarHBondContact O-N 3.24Å; T49-R52 VanDerWaalsContact O-CB 3.32Å; T49-R52 WeakPolarHBondContact O-CB 3.43Å; T49-R52 PolarHBondContact O-N 2.65Å; T49-L90 HydrophobicContact CG2-CD1 4.16Å; T49-L93 HydrophobicContact CG2-CB 3.84Å; T49-R94 HydrophobicContact CG2-CG 3.64Å
50L94.8Very high94Very high0 Ų056.7 Ų56.70%030%0.304CS..Hα-helixtrans-67.7-30-179.1-62-175.8000112.9I34 L36 A45 H46 R47 R52 L58 E59 A62 L90 L93I34-L50 HydrophobicContact CG2-CD1 3.38Å; I34-L50 HydrophobicContact CG2-CG 4.49Å; L36-L50 HydrophobicContact CD1-CD1 3.89Å; L36-L50 HydrophobicContact CD1-CD2 4.29Å; L36-L50 HydrophobicContact CG-CD1 4.46Å; A45-L50 HydrophobicContact CB-CD1 4.5Å; A45-L50 HydrophobicContact CB-CD2 4.08Å; A45-L50 HydrophobicContact CB-CG 4.14Å; H46-L50 PolarHBondContact O-N 3.33Å; R47-L50 PolarHBondContact O-N 3.28Å; L50-R52 VanDerWaalsContact C-N 3.3Å; L50-R52 PolarHBondContact O-N 3.23Å; L50-L58 HydrophobicContact CB-CB 4.29Å; L50-L58 HydrophobicContact CD2-CB 4.33Å; L50-L58 HydrophobicContact CD2-CD1 4.48Å; L50-L58 CarbonylContact O-C 3.51Å; L50-E59 PolarHBondContact O-N 2.97Å; L50-A62 HydrophobicContact CB-CB 3.67Å; L50-A62 HydrophobicContact CD1-CB 4.19Å; L50-L90 HydrophobicContact CD2-CD1 4Å; L50-L93 HydrophobicContact CD2-CD1 4.28Å
51S93.3Very high93.7Very high42 Ų4254.8 Ų54.829%0.29428%0.282SS..THydrogen-bonded Turntrans-83.94.6177.2-63.40000114.4R47 T49 H53R47-S51 WeakPolarHBondContact O-CB 3.46Å; R47-S51 PolarHBondContact O-N 2.93Å; R47-S51 PolarHBondContact O-OG 3.5Å; R47-S51 VanDerWaalsContact O-OG 3.13Å; T49-S51 VanDerWaalsContact C-N 3.29Å; T49-S51 PolarHBondContact O-N 3.24Å; S51-H53 PolarHBondContact O-N 3.39Å
52R91.4Very high93.2Very high135 Ų13550.2 Ų50.251%0.50926%0.263SS..THydrogen-bonded Turntrans-62.5-31.4-177.7-174175-79.6-170.21112.7T48 T49 L50 L93 R94T48-R52 PolarHBondContact O-N 3.45Å; T49-R52 VanDerWaalsContact O-CB 3.32Å; T49-R52 WeakPolarHBondContact O-CB 3.43Å; T49-R52 PolarHBondContact O-N 2.65Å; L50-R52 VanDerWaalsContact C-N 3.3Å; L50-R52 PolarHBondContact O-N 3.23Å; R52-L93 VanDerWaalsContact CD-O 3.26Å; R52-L93 WeakPolarHBondContact CD-O 3.43Å; R52-L93 PolarHBondContact NE-O 3.12Å; R52-L93 VanDerWaalsContact NE-O 3.16Å; R52-L93 PolarHBondContact NH1-O 3.39Å; R52-R94 VanDerWaalsContact CZ-O 3.32Å; R52-R94 VanDerWaalsContact NH1-C 3.3Å; R52-R94 PolarHBondContact NH1-O 3.23Å; R52-R94 PolarHBondContact NH2-O 2.89Å; R52-R94 VanDerWaalsContact NH2-O 3.08Å
53H91.3Very high92.6Very high53 Ų5348.1 Ų48.125%0.24526%0.256CS..SBendtrans-110.2110178.2-159.282.7000110.6S51 S56 E59 L93 R118 L119S51-H53 PolarHBondContact O-N 3.39Å; H53-S56 VanDerWaalsContact O-CB 3.29Å; H53-S56 WeakPolarHBondContact O-CB 3.38Å; H53-S56 PolarHBondContact O-N 3.4Å; H53-S56 PolarHBondContact O-OG 2.91Å; H53-E59 WeakPolarHBondContact O-CB 3.42Å; H53-L93 HydrophobicContact CB-CD2 4.5Å; H53-R118 PolarHBondContact CD2-O 2.87Å; H53-R118 VanDerWaalsContact CD2-O 3.32Å; H53-L119 HydrophobicContact CB-CD2 3.65Å
54Q90.7Very high91.6Very high176 Ų17649.1 Ų49.182%0.82228%0.278SS*.THydrogen-bonded Turntrans-65.7139.4-178.4-65.1-171.916.700111.1S56Q54-S56 PolarHBondContact O-N 3.32Å
55G88.3Confident90.5Very high38 Ų3853.4 Ų53.439%0.39229%0.286SS..THydrogen-bonded Turntrans74.31.3-178.600000114.4R118G55-R118 PolarHBondContact O-NE 2.87Å; G55-R118 PolarHBondContact O-NH1 3.04Å; G55-R118 PolarHBondContact O-NH2 2.91Å; G55-R118 VanDerWaalsContact O-NH2 3.16Å
56S94.3Very high89.5Confident0 Ų056.6 Ų56.60%030%0.298CS..  trans-70154.1169.869.70000110.9H53 Q54 L58 E59 E60 Y117H53-S56 VanDerWaalsContact O-CB 3.29Å; H53-S56 WeakPolarHBondContact O-CB 3.38Å; H53-S56 PolarHBondContact O-N 3.4Å; H53-S56 PolarHBondContact O-OG 2.91Å; Q54-S56 PolarHBondContact O-N 3.32Å; S56-L58 PolarHBondContact O-N 3.38Å; S56-E59 PolarHBondContact O-N 3.21Å; S56-E59 WeakPolarHBondContact OG-CB 3.44Å; S56-E59 PolarHBondContact OG-N 3.26Å; S56-E60 WeakPolarHBondContact O-CG 3.37Å; S56-E60 PolarHBondContact O-N 2.73Å; S56-Y117 WeakPolarHBondContact CA-O 3.42Å; S56-Y117 WeakPolarHBondContact CB-O 3.14Å
57V93.4Very high88.2Confident9 Ų957.2 Ų57.26%0.05531%0.31CS..Hα-helixtrans-57.4-34.2173.3172.40000111.5L61 K66 F116 Y117V57-L61 HydrophobicContact CG1-CD1 4.1Å; V57-L61 VanDerWaalsContact O-CG 3.3Å; V57-L61 WeakPolarHBondContact O-CG 3.36Å; V57-L61 PolarHBondContact O-N 2.9Å; V57-L61 VanDerWaalsContact O-N 3.15Å; V57-K66 HydrophobicContact CG1-CD 4.19Å; V57-F116 WeakPolarHBondContact CG2-O 3.37Å; V57-Y117 HydrophobicContact CB-CD1 4.19Å; V57-Y117 HydrophobicContact CG1-CD1 4.35Å; V57-Y117 PolarHBondContact N-O 3.08Å
58L94.3Very high87.2Confident0 Ų055.7 Ų55.70%031%0.31CS..Hα-helixtrans-74.1-34.9-177.6-62.3173000112.3L36 L50 S56 L61 A62 I79 F86 I89 L93 Y117L36-L58 HydrophobicContact CD1-CD2 4.14Å; L50-L58 HydrophobicContact CB-CB 4.29Å; L50-L58 HydrophobicContact CD2-CB 4.33Å; L50-L58 HydrophobicContact CD2-CD1 4.48Å; L50-L58 CarbonylContact O-C 3.51Å; S56-L58 PolarHBondContact O-N 3.38Å; L58-L61 HydrophobicContact CD2-CD1 4.41Å; L58-L61 PolarHBondContact O-N 2.94Å; L58-A62 VanDerWaalsContact O-CB 3.3Å; L58-A62 WeakPolarHBondContact O-CB 3.25Å; L58-A62 PolarHBondContact O-N 3.02Å; L58-I79 HydrophobicContact CD2-CD1 4.32Å; L58-F86 HydrophobicContact CD1-CE2 4.03Å; L58-F86 HydrophobicContact CD1-CZ 4.23Å; L58-F86 HydrophobicContact CD2-CE2 3.97Å; L58-F86 HydrophobicContact CD2-CZ 4.01Å; L58-I89 HydrophobicContact CD1-CG2 4.05Å; L58-L93 HydrophobicContact CD1-CD1 3.5Å; L58-Y117 HydrophobicContact CD1-CD1 4.04Å; L58-Y117 HydrophobicContact CD1-CG 4.28Å; L58-Y117 HydrophobicContact CD2-CD1 3.81Å; L58-Y117 HydrophobicContact CD2-CE1 3.82Å; L58-Y117 HydrophobicContact CG-CD1 3.71Å; L58-Y117 HydrophobicContact CG-CE1 4.25Å; L58-Y117 HydrophobicContact CG-CG 4.36Å
59E93.5Very high86.1Confident23 Ų2358 Ų5811%0.10731%0.313CS..Hα-helixtrans-65.1-42.9172.4-177.5-87.2156.400111.5L50 H53 S56 L61 A62 S63 K65L50-E59 PolarHBondContact O-N 2.97Å; H53-E59 WeakPolarHBondContact O-CB 3.42Å; S56-E59 PolarHBondContact O-N 3.21Å; S56-E59 WeakPolarHBondContact OG-CB 3.44Å; S56-E59 PolarHBondContact OG-N 3.26Å; E59-L61 VanDerWaalsContact C-N 3.29Å; E59-L61 PolarHBondContact O-N 2.89Å; E59-A62 PolarHBondContact O-N 3.02Å; E59-S63 WeakPolarHBondContact O-CB 3.34Å; E59-S63 PolarHBondContact O-N 3.21Å; E59-S63 PolarHBondContact O-OG 3.46Å; E59-K65 IonicContact OE1-NZ 2.64Å; E59-K65 PolarHBondContact OE1-NZ 2.76Å; E59-K65 IonicContact OE2-NZ 2.63Å
60E90.9Very high85.6Confident44 Ų4463 Ų6321%0.20634%0.335CS..Hα-helixtrans-65.6-35.4179.4-60170.3172.400111.7S56 S63 G64 K65 K66 R118S56-E60 WeakPolarHBondContact O-CG 3.37Å; S56-E60 PolarHBondContact O-N 2.73Å; E60-S63 WeakPolarHBondContact CA-OG 3.39Å; E60-S63 PolarHBondContact O-OG 2.99Å; E60-G64 CarbonylContact O-C 3.6Å; E60-G64 PolarHBondContact O-N 2.89Å; E60-G64 VanDerWaalsContact O-N 3.08Å; E60-K65 HydrophobicContact CB-CB 4.38Å; E60-K65 PolarHBondContact O-N 3.01Å; E60-K66 HydrophobicContact CB-CB 3.55Å; E60-K66 HydrophobicContact CB-CD 4.44Å; E60-K66 PolarHBondContact O-N 3.2Å; E60-R118 IonicContact OE1-CZ 2.71Å; E60-R118 IonicContact OE1-NH1 3.57Å; E60-R118 IonicContact OE1-NH2 3.06Å; E60-R118 PolarHBondContact OE1-NH2 3.42Å; E60-R118 IonicContact OE2-NH2 3.02Å; E60-R118 PolarHBondContact OE2-NH2 2.92Å
61L89Confident85.4Confident14 Ų1467.1 Ų67.17%0.07336%0.36CS..Hα-helixtrans-68.9-42.8173.5-73170.7000111.8V57 L58 E59 G64 K66 V68 I79V57-L61 HydrophobicContact CG1-CD1 4.1Å; V57-L61 VanDerWaalsContact O-CG 3.3Å; V57-L61 WeakPolarHBondContact O-CG 3.36Å; V57-L61 PolarHBondContact O-N 2.9Å; V57-L61 VanDerWaalsContact O-N 3.15Å; L58-L61 HydrophobicContact CD2-CD1 4.41Å; L58-L61 PolarHBondContact O-N 2.94Å; E59-L61 VanDerWaalsContact C-N 3.29Å; E59-L61 PolarHBondContact O-N 2.89Å; L61-G64 PolarHBondContact O-N 3.27Å; L61-K66 HydrophobicContact CD2-CB 4.31Å; L61-K66 HydrophobicContact CD2-CD 4.15Å; L61-K66 HydrophobicContact CD2-CG 4.27Å; L61-K66 HydrophobicContact CG-CD 4.21Å; L61-V68 HydrophobicContact CD2-CG2 3.84Å; L61-I79 HydrophobicContact CD1-CD1 3.74Å; L61-I79 HydrophobicContact CD1-CG1 4.24Å
62A88.2Confident85.3Confident5 Ų566.3 Ų66.34%0.04135%0.352CS..Hα-helixtrans-70.1-30.7-18000000113.2R47 L50 L58 E59R47-A62 HydrophobicContact CB-CB 4.38Å; R47-A62 PolarHBondContact NH1-O 3.09Å; L50-A62 HydrophobicContact CB-CB 3.67Å; L50-A62 HydrophobicContact CD1-CB 4.19Å; L58-A62 VanDerWaalsContact O-CB 3.3Å; L58-A62 WeakPolarHBondContact O-CB 3.25Å; L58-A62 PolarHBondContact O-N 3.02Å; E59-A62 PolarHBondContact O-N 3.02Å
63S84.6Confident85.2Confident53 Ų5366 Ų6637%0.37137%0.371SS..Hα-helixtrans-86.7-12.3175.859.10000113.5E59 E60 K65E59-S63 WeakPolarHBondContact O-CB 3.34Å; E59-S63 PolarHBondContact O-N 3.21Å; E59-S63 PolarHBondContact O-OG 3.46Å; E60-S63 WeakPolarHBondContact CA-OG 3.39Å; E60-S63 PolarHBondContact O-OG 2.99Å; S63-K65 PolarHBondContact O-N 3.33Å; S63-K65 WeakPolarHBondContact OG-CD 3.32Å; S63-K65 VanDerWaalsContact OG-CG 3.32Å; S63-K65 WeakPolarHBondContact OG-CG 3.48Å
64G76.8Confident85.1Confident58 Ų5870.4 Ų70.460%0.59839%0.393SS*.THydrogen-bonded Turntrans73.510-174.500000114.1E60 L61 K66E60-G64 CarbonylContact O-C 3.6Å; E60-G64 PolarHBondContact O-N 2.89Å; E60-G64 VanDerWaalsContact O-N 3.08Å; L61-G64 PolarHBondContact O-N 3.27Å; G64-K66 VanDerWaalsContact C-N 3.31Å
65K72.6Confident85Confident147 Ų14764.4 Ų64.464%0.63938%0.378SS*.  trans-68.7-30.9174-69.1172.8-171.5161.20112E59 E60 S63E59-K65 IonicContact OE1-NZ 2.64Å; E59-K65 PolarHBondContact OE1-NZ 2.76Å; E59-K65 IonicContact OE2-NZ 2.63Å; E60-K65 HydrophobicContact CB-CB 4.38Å; E60-K65 PolarHBondContact O-N 3.01Å; S63-K65 PolarHBondContact O-N 3.33Å; S63-K65 WeakPolarHBondContact OG-CD 3.32Å; S63-K65 VanDerWaalsContact OG-CG 3.32Å; S63-K65 WeakPolarHBondContact OG-CG 3.48Å
66K73.8Confident85.2Confident73 Ų7363.9 Ų63.932%0.31737%0.367SS..SBendtrans-89122173.4-174.2166.4-163.7155.30109.7V57 E60 L61 G64 V68V57-K66 HydrophobicContact CG1-CD 4.19Å; E60-K66 HydrophobicContact CB-CB 3.55Å; E60-K66 HydrophobicContact CB-CD 4.44Å; E60-K66 PolarHBondContact O-N 3.2Å; L61-K66 HydrophobicContact CD2-CB 4.31Å; L61-K66 HydrophobicContact CD2-CD 4.15Å; L61-K66 HydrophobicContact CD2-CG 4.27Å; L61-K66 HydrophobicContact CG-CD 4.21Å; G64-K66 VanDerWaalsContact C-N 3.31Å; K66-V68 PolarHBondContact O-N 3.2Å; K66-V68 VanDerWaalsContact O-N 3.08Å
67T68.1Low85.1Confident117 Ų11764.8 Ų64.872%0.71837%0.373SS*.  trans-60.9113.6168.6-52.60000108.5Q69T67-Q69 PolarHBondContact O-N 3.46Å
68V73.6Confident85.1Confident54 Ų5467.7 Ų67.733%0.32738%0.384SS..  trans-65.6104.7172.2177.10000107.2L61 K66 H70 T71 P77L61-V68 HydrophobicContact CD2-CG2 3.84Å; K66-V68 PolarHBondContact O-N 3.2Å; K66-V68 VanDerWaalsContact O-N 3.08Å; V68-H70 VanDerWaalsContact C-N 3.32Å; V68-H70 WeakPolarHBondContact CG1-O 3.35Å; V68-T71 HydrophobicContact CG1-CG2 3.76Å; V68-P77 HydrophobicContact CG1-CB 3.77Å; V68-P77 HydrophobicContact CG1-CG 4.23Å; V68-P77 HydrophobicContact CG2-CB 4.05Å; V68-P77 HydrophobicContact CG2-CG 4.05Å
69Q71.1Confident85.1Confident162 Ų16268.3 Ų68.376%0.75739%0.388SS*.  trans-70.7-31.9-176.7-66.6-176.21.100111.9T67T67-Q69 PolarHBondContact O-N 3.46Å
70H84.2Confident85.2Confident120 Ų12073.5 Ų73.556%0.55642%0.416SS*.  trans-137.3137.1-176.5-59.2-65000110.6V68 F78V68-H70 VanDerWaalsContact C-N 3.32Å; V68-H70 WeakPolarHBondContact CG1-O 3.35Å; H70-F78 HydrophobicContact CB-CB 4.2Å; H70-F78 HydrophobicContact CB-CD1 4.24Å; H70-F78 WeakPolarHBondContact O-CB 3.29Å; H70-F78 PolarHBondContact O-N 2.98Å
71T91Very high85.5Confident86 Ų8675 Ų7553%0.52842%0.42SS..BIsolated β-bridgetrans-121150.9169.455.90000109.6V68 N76V68-T71 HydrophobicContact CG1-CG2 3.76Å; T71-N76 CarbonylContact C-O 3.55Å; T71-N76 WeakPolarHBondContact CA-O 3.31Å; T71-N76 WeakPolarHBondContact CB-O 3.36Å
72D90.7Very high85.9Confident26 Ų2676.8 Ų76.814%0.13943%0.43CS..  trans-72.8-179.9171.570.413.2000112.2N37 M74 G75 N76N37-D72 HydrophobicContact CB-CB 4.33Å; N37-D72 WeakPolarHBondContact CB-OD2 3.34Å; N37-D72 WeakPolarHBondContact ND2-CB 3.36Å; N37-D72 PolarHBondContact ND2-OD2 3.4Å; D72-M74 PolarHBondContact O-N 2.84Å; D72-M74 VanDerWaalsContact O-N 3.11Å; D72-M74 WeakPolarHBondContact OD1-CA 3.47Å; D72-M74 WeakPolarHBondContact OD1-CB 3.33Å; D72-M74 PolarHBondContact OD1-N 3.37Å; D72-G75 PolarHBondContact O-N 3.2Å; D72-G75 PolarHBondContact OD1-N 3.4Å; D72-N76 PolarHBondContact N-O 3.49Å; D72-N76 PolarHBondContact OD1-N 3.04Å; D72-N76 PolarHBondContact OD1-ND2 3.04Å; D72-N76 WeakPolarHBondContact OD2-CB 3.45Å; D72-N76 PolarHBondContact OD2-ND2 3.32Å
73S89.2Confident86.4Confident128 Ų12876.7 Ų76.790%0.89543%0.429SS*.THydrogen-bonded Turntrans-62.5-15.1178.656.20000114.2
74M88.8Confident87Confident146 Ų14677.1 Ų77.172%0.71943%0.431SS*.THydrogen-bonded Turntrans-99.50.7176.9-61.4-169.6174.800112.6D72D72-M74 PolarHBondContact O-N 2.84Å; D72-M74 VanDerWaalsContact O-N 3.11Å; D72-M74 WeakPolarHBondContact OD1-CA 3.47Å; D72-M74 WeakPolarHBondContact OD1-CB 3.33Å; D72-M74 PolarHBondContact OD1-N 3.37Å
75G88.9Confident88Confident49 Ų4974.5 Ų74.551%0.50540%0.403SS..SBendtrans79.913.6-179.100000114.4D72D72-G75 PolarHBondContact O-N 3.2Å; D72-G75 PolarHBondContact OD1-N 3.4Å
76N91.7Very high89.2Confident28 Ų2867.5 Ų67.515%0.1537%0.372CS..PPolyproline II helixtrans-79140.6174.1-51.6-58.8000109.8T35 N37 T71 D72 F78T35-N76 WeakPolarHBondContact CB-OD1 3.29Å; T35-N76 HydrophobicContact CG2-CB 4.45Å; N37-N76 HydrophobicContact CB-CB 4.48Å; T71-N76 CarbonylContact C-O 3.55Å; T71-N76 WeakPolarHBondContact CA-O 3.31Å; T71-N76 WeakPolarHBondContact CB-O 3.36Å; D72-N76 PolarHBondContact N-O 3.49Å; D72-N76 PolarHBondContact OD1-N 3.04Å; D72-N76 PolarHBondContact OD1-ND2 3.04Å; D72-N76 WeakPolarHBondContact OD2-CB 3.45Å; D72-N76 PolarHBondContact OD2-ND2 3.32Å; N76-F78 PolarHBondContact O-N 3.42Å
77P92.7Very high90.3Very high19 Ų1970 Ų7012%0.12338%0.38CS..BIsolated β-bridgetrans-52.2125.3170.3-26.734.4000111.7I34 T35 L36 N37 V68I34-P77 HydrophobicContact CD1-CG 4.34Å; T35-P77 WeakPolarHBondContact O-CD 3.47Å; L36-P77 HydrophobicContact CD2-CB 4Å; L36-P77 HydrophobicContact CD2-CG 4.25Å; N37-P77 PolarHBondContact N-O 2.83Å; V68-P77 HydrophobicContact CG1-CB 3.77Å; V68-P77 HydrophobicContact CG1-CG 4.23Å; V68-P77 HydrophobicContact CG2-CB 4.05Å; V68-P77 HydrophobicContact CG2-CG 4.05Å
78F94.4Very high91.7Very high69 Ų6965 Ų6530%0.30335%0.348SS..EExtended strand (participates in β ladder)trans-97.9134.1178.8-178.9-104.9000110.6N37 H70 N76 D80N37-F78 HydrophobicContact CB-CD2 4.02Å; N37-F78 CarbonylContact O-C 3.57Å; N37-F78 VanDerWaalsContact O-CA 3.31Å; N37-F78 WeakPolarHBondContact O-CA 3.2Å; H70-F78 HydrophobicContact CB-CB 4.2Å; H70-F78 HydrophobicContact CB-CD1 4.24Å; H70-F78 WeakPolarHBondContact O-CB 3.29Å; H70-F78 PolarHBondContact O-N 2.98Å; N76-F78 PolarHBondContact O-N 3.42Å; F78-D80 HydrophobicContact CE1-CB 3.78Å; F78-D80 HydrophobicContact CZ-CB 4.33Å
79I94.6Very high92.9Very high14 Ų1462.4 Ų62.47%0.07233%0.333CS..EExtended strand (participates in β ladder)trans-125.4114.6177.4-58.8168.7000106.9L36 N37 V38 G39 L58 L61 R81 F116 Y117L36-I79 HydrophobicContact CD1-CD1 4.32Å; N37-I79 PolarHBondContact O-N 2.79Å; V38-I79 CarbonylContact C-O 3.53Å; V38-I79 WeakPolarHBondContact CA-O 3.06Å; V38-I79 HydrophobicContact CG1-CB 4.46Å; V38-I79 HydrophobicContact CG1-CG2 4.46Å; V38-I79 HydrophobicContact CG2-CB 4.34Å; V38-I79 HydrophobicContact CG2-CD1 4.22Å; G39-I79 PolarHBondContact N-O 2.87Å; L58-I79 HydrophobicContact CD2-CD1 4.32Å; L61-I79 HydrophobicContact CD1-CD1 3.74Å; L61-I79 HydrophobicContact CD1-CG1 4.24Å; I79-R81 HydrophobicContact CG2-CB 3.89Å; I79-R81 HydrophobicContact CG2-CG 3.45Å; I79-R81 VanDerWaalsContact CG2-CG 3.45Å; I79-R81 PolarHBondContact O-N 2.86Å; I79-F116 HydrophobicContact CG2-CE1 4.26Å; I79-Y117 HydrophobicContact CD1-CE1 4.32Å; I79-Y117 HydrophobicContact CG2-CE1 4.19Å; I79-Y117 WeakPolarHBondContact CG2-OH 3.29Å
80D95.5Very high94.2Very high132 Ų13254.8 Ų54.871%0.70630%0.297SS*.  trans-79.468.1-179.4-168.922.7000111.2F78F78-D80 HydrophobicContact CE1-CB 3.78Å; F78-D80 HydrophobicContact CZ-CB 4.33Å
81R96.6Very high94.8Very high76 Ų7651.3 Ų51.329%0.28728%0.283SS..SBendtrans-140.6174-176.7-60-60.6-66.1168.6-2.5111V38 G39 I79 G83 E113 F116V38-R81 HydrophobicContact CG1-CB 4.08Å; G39-R81 VanDerWaalsContact CA-O 3.24Å; G39-R81 WeakPolarHBondContact CA-O 3.3Å; G39-R81 PolarHBondContact N-O 2.63Å; I79-R81 HydrophobicContact CG2-CB 3.89Å; I79-R81 HydrophobicContact CG2-CG 3.45Å; I79-R81 VanDerWaalsContact CG2-CG 3.45Å; I79-R81 PolarHBondContact O-N 2.86Å; R81-G83 PolarHBondContact O-N 2.64Å; R81-G83 VanDerWaalsContact O-N 3.14Å; R81-E113 IonicContact CZ-OE1 3.85Å; R81-E113 VanDerWaalsContact CZ-OE1 3.23Å; R81-E113 IonicContact CZ-OE2 3.23Å; R81-E113 VanDerWaalsContact CZ-OE2 3.32Å; R81-E113 IonicContact NE-OE1 3.54Å; R81-E113 PolarHBondContact NE-OE1 3.29Å; R81-E113 IonicContact NE-OE2 3.44Å; R81-E113 PolarHBondContact NE-OE2 3.14Å; R81-E113 IonicContact NH2-OE1 2.8Å; R81-E113 PolarHBondContact NH2-OE1 2.87Å; R81-E113 IonicContact NH2-OE2 2.66Å; R81-E113 PolarHBondContact NH2-OE2 2.85Å; R81-E113 VanDerWaalsContact NH2-OE2 3.08Å; R81-F116 HydrophobicContact CG-CD1 3.86Å; R81-F116 HydrophobicContact CG-CE1 3.47Å; R81-F116 VanDerWaalsContact CG-CE1 3.47Å; R81-F116 HydrophobicContact CG-CE2 4.39Å; R81-F116 HydrophobicContact CG-CG 4.49Å; R81-F116 HydrophobicContact CG-CZ 3.76Å
82D97.9Very high95.1Very high51 Ų5148.4 Ų48.427%0.27326%0.262SS..  trans-68.8109.7-177.4-168.2-83.9000112.3P84 V85 F86D82-P84 VanDerWaalsContact OD1-CD 3.25Å; D82-P84 WeakPolarHBondContact OD1-CD 3.44Å; D82-V85 HydrophobicContact CB-CB 4.28Å; D82-V85 VanDerWaalsContact OD1-CB 3.23Å; D82-V85 WeakPolarHBondContact OD1-CB 3.5Å; D82-V85 VanDerWaalsContact OD1-CG2 3.23Å; D82-V85 WeakPolarHBondContact OD1-CG2 3.42Å; D82-V85 PolarHBondContact OD1-N 2.85Å; D82-F86 WeakPolarHBondContact O-CB 3.47Å; D82-F86 PolarHBondContact O-N 2.72Å
83G97.4Very high95.4Very high2 Ų247.2 Ų47.22%0.02126%0.256CS..Hα-helixtrans-64.8-50179.900000113.9V38 Y43 R81 V85 F86V38-G83 VanDerWaalsContact O-CA 3.28Å; V38-G83 WeakPolarHBondContact O-CA 3.47Å; Y43-G83 WeakPolarHBondContact CE2-O 3.43Å; Y43-G83 PolarHBondContact OH-O 2.73Å; R81-G83 PolarHBondContact O-N 2.64Å; R81-G83 VanDerWaalsContact O-N 3.14Å; G83-V85 PolarHBondContact O-N 2.9Å; G83-F86 VanDerWaalsContact O-CB 3.29Å; G83-F86 WeakPolarHBondContact O-CB 3.44Å; G83-F86 PolarHBondContact O-N 3.3Å
84P97.3Very high95.8Very high63 Ų6346.4 Ų46.441%0.40923%0.233SC..Hα-helixtrans-56.4-45.1179.8-29.437000114F41 D82 F86 R87F41-P84 HydrophobicContact CE1-CG 4.12Å; F41-P84 HydrophobicContact CE2-CG 4.01Å; F41-P84 HydrophobicContact CZ-CG 3.7Å; D82-P84 VanDerWaalsContact OD1-CD 3.25Å; D82-P84 WeakPolarHBondContact OD1-CD 3.44Å; P84-F86 VanDerWaalsContact C-N 3.31Å; P84-F86 PolarHBondContact O-N 3.1Å; P84-R87 WeakPolarHBondContact O-CB 3.14Å; P84-R87 PolarHBondContact O-N 3.4Å
85V97.2Very high96.1Very high2 Ų242.6 Ų42.61%0.01222%0.219CC..Hα-helixtrans-68.2-31.4179.2171.70000111.8D82 G83 R87 H88 L109 L110 E113D82-V85 HydrophobicContact CB-CB 4.28Å; D82-V85 VanDerWaalsContact OD1-CB 3.23Å; D82-V85 WeakPolarHBondContact OD1-CB 3.5Å; D82-V85 VanDerWaalsContact OD1-CG2 3.23Å; D82-V85 WeakPolarHBondContact OD1-CG2 3.42Å; D82-V85 PolarHBondContact OD1-N 2.85Å; G83-V85 PolarHBondContact O-N 2.9Å; V85-R87 PolarHBondContact O-N 3.26Å; V85-H88 PolarHBondContact O-N 2.84Å; V85-L109 HydrophobicContact CG2-CD2 3.63Å; V85-L109 HydrophobicContact CG2-CG 3.93Å; V85-L110 HydrophobicContact CG1-CB 3.99Å; V85-L110 HydrophobicContact CG1-CD1 3.63Å; V85-L110 HydrophobicContact CG1-CG 4.43Å; V85-E113 HydrophobicContact CG1-CB 4.26Å; V85-E113 HydrophobicContact CG1-CG 3.89Å
86F98.2Very high96.4Very high1 Ų141.9 Ų41.90%0.00421%0.211CC..Hα-helixtrans-55.9-27.1178.3-171.4-100.7000113.8L36 V38 Y43 L58 D82 G83 P84 H88 I89 L90 Y117L36-F86 HydrophobicContact CD1-CE1 4.45Å; L36-F86 HydrophobicContact CD1-CZ 4.03Å; V38-F86 HydrophobicContact CB-CB 4.47Å; V38-F86 HydrophobicContact CB-CG 4.35Å; V38-F86 HydrophobicContact CG1-CB 4.04Å; V38-F86 HydrophobicContact CG1-CD2 4.24Å; V38-F86 HydrophobicContact CG1-CG 4.12Å; V38-F86 HydrophobicContact CG2-CD1 3.91Å; V38-F86 HydrophobicContact CG2-CD2 4.19Å; V38-F86 HydrophobicContact CG2-CE1 4.05Å; V38-F86 HydrophobicContact CG2-CE2 4.33Å; V38-F86 HydrophobicContact CG2-CG 3.97Å; V38-F86 HydrophobicContact CG2-CZ 4.26Å; Y43-F86 HydrophobicContact CD1-CD1 4.05Å; Y43-F86 HydrophobicContact CD1-CE1 4.45Å; Y43-F86 AromaticContact CD2-CD1 3.48Å; Y43-F86 HydrophobicContact CD2-CD1 3.48Å; Y43-F86 VanDerWaalsContact CD2-CD1 3.48Å; Y43-F86 HydrophobicContact CD2-CE1 4.05Å; Y43-F86 HydrophobicContact CD2-CG 4.41Å; Y43-F86 HydrophobicContact CE1-CD1 4.24Å; Y43-F86 HydrophobicContact CE2-CB 4.04Å; Y43-F86 AromaticContact CE2-CD1 3.66Å; Y43-F86 HydrophobicContact CE2-CD1 3.66Å; Y43-F86 HydrophobicContact CE2-CG 4.28Å; Y43-F86 AromaticContact CG-CD1 3.67Å; Y43-F86 HydrophobicContact CG-CD1 3.67Å; Y43-F86 AromaticContact CG-CE1 3.93Å; Y43-F86 HydrophobicContact CG-CE1 3.93Å; L58-F86 HydrophobicContact CD1-CE2 4.03Å; L58-F86 HydrophobicContact CD1-CZ 4.23Å; L58-F86 HydrophobicContact CD2-CE2 3.97Å; L58-F86 HydrophobicContact CD2-CZ 4.01Å; D82-F86 WeakPolarHBondContact O-CB 3.47Å; D82-F86 PolarHBondContact O-N 2.72Å; G83-F86 VanDerWaalsContact O-CB 3.29Å; G83-F86 WeakPolarHBondContact O-CB 3.44Å; G83-F86 PolarHBondContact O-N 3.3Å; P84-F86 VanDerWaalsContact C-N 3.31Å; P84-F86 PolarHBondContact O-N 3.1Å; F86-H88 PolarHBondContact O-N 2.99Å; F86-I89 HydrophobicContact CD2-CB 4.34Å; F86-I89 HydrophobicContact CD2-CD1 4.22Å; F86-I89 HydrophobicContact CD2-CG2 4.42Å; F86-I89 HydrophobicContact CE2-CG2 4.25Å; F86-I89 WeakPolarHBondContact O-CB 3.28Å; F86-I89 PolarHBondContact O-N 3.02Å; F86-I89 VanDerWaalsContact O-N 3.17Å; F86-L90 HydrophobicContact CD1-CB 4.41Å; F86-L90 HydrophobicContact CE1-CB 4.15Å; F86-L90 HydrophobicContact CE1-CD2 4.37Å; F86-L90 PolarHBondContact O-N 3.3Å; F86-Y117 HydrophobicContact CD2-CE1 4.4Å; F86-Y117 AromaticContact CD2-CE2 3.78Å; F86-Y117 HydrophobicContact CD2-CE2 3.78Å; F86-Y117 AromaticContact CD2-CZ 3.62Å; F86-Y117 WeakPolarHBondContact CD2-OH 3.3Å; F86-Y117 AromaticContact CE2-CE1 3.97Å; F86-Y117 HydrophobicContact CE2-CE1 3.97Å; F86-Y117 HydrophobicContact CE2-CE2 4.05Å; F86-Y117 AromaticContact CE2-CZ 3.64Å
87R97.3Very high96.5Very high125 Ų12545.4 Ų45.447%0.47223%0.23SC..Hα-helixtrans-53.4-41.5173.6-178.6-178.662.4142.40.2112.2Y43 P84 V85 L90 N91Y43-R87 HydrophobicContact CE1-CB 4.21Å; Y43-R87 PolarHBondContact OH-N 3.4Å; P84-R87 WeakPolarHBondContact O-CB 3.14Å; P84-R87 PolarHBondContact O-N 3.4Å; V85-R87 PolarHBondContact O-N 3.26Å; R87-L90 PolarHBondContact O-N 3.45Å; R87-N91 WeakPolarHBondContact O-CB 3.34Å; R87-N91 VanDerWaalsContact O-CG 3.29Å; R87-N91 PolarHBondContact O-N 3.49Å
88H98.1Very high96.7Very high12 Ų1246 Ų466%0.05623%0.232CC..Hα-helixtrans-71.2-38.9-178.9-62.9-76.3000111.4V85 F86 N91 F92 L100 F104 L110V85-H88 PolarHBondContact O-N 2.84Å; F86-H88 PolarHBondContact O-N 2.99Å; H88-N91 PolarHBondContact O-N 3.01Å; H88-F92 PolarHBondContact O-N 2.92Å; H88-L100 HydrophobicContact CB-CD2 4.35Å; H88-F104 AromaticContact CD2-CE2 3.89Å; H88-F104 AromaticContact NE2-CE2 3.56Å; H88-L110 HydrophobicContact CB-CD1 3.82Å; H88-L110 HydrophobicContact CB-CD2 4.22Å
89I98.2Very high96.7Very high0 Ų048.4 Ų48.40%024%0.244CC..Hα-helixtrans-60.1-47.9172.9-66.9164.2000110.6L58 F86 N91 F92 L93 L110 E113 Y117 L119 L122L58-I89 HydrophobicContact CD1-CG2 4.05Å; F86-I89 HydrophobicContact CD2-CB 4.34Å; F86-I89 HydrophobicContact CD2-CD1 4.22Å; F86-I89 HydrophobicContact CD2-CG2 4.42Å; F86-I89 HydrophobicContact CE2-CG2 4.25Å; F86-I89 WeakPolarHBondContact O-CB 3.28Å; F86-I89 PolarHBondContact O-N 3.02Å; F86-I89 VanDerWaalsContact O-N 3.17Å; I89-N91 VanDerWaalsContact C-N 3.33Å; I89-N91 PolarHBondContact O-N 3.21Å; I89-F92 WeakPolarHBondContact O-CB 3.47Å; I89-F92 PolarHBondContact O-N 3.09Å; I89-L93 WeakPolarHBondContact O-CG 3.42Å; I89-L93 PolarHBondContact O-N 3.28Å; I89-L110 HydrophobicContact CG1-CD1 3.94Å; I89-E113 HydrophobicContact CD1-CB 3.5Å; I89-Y117 HydrophobicContact CD1-CD2 3.44Å; I89-Y117 VanDerWaalsContact CD1-CD2 3.44Å; I89-Y117 HydrophobicContact CD1-CE2 3.49Å; I89-Y117 VanDerWaalsContact CD1-CE2 3.49Å; I89-Y117 HydrophobicContact CG2-CD2 4.36Å; I89-L119 HydrophobicContact CG2-CD1 3.5Å; I89-L119 VanDerWaalsContact CG2-CD1 3.5Å; I89-L122 HydrophobicContact CB-CD2 4.43Å; I89-L122 HydrophobicContact CG1-CD2 3.91Å
90L97.8Very high96.7Very high2 Ų248.9 Ų48.91%0.0125%0.247CC..Hα-helixtrans-66.1-36.7-179-175.657.8000112.1Y43 A45 T49 L50 F86 R87 L93 R94Y43-L90 HydrophobicContact CD1-CD2 3.86Å; Y43-L90 HydrophobicContact CG-CD2 4.42Å; A45-L90 HydrophobicContact CB-CD1 3.74Å; A45-L90 HydrophobicContact CB-CD2 4.37Å; T49-L90 HydrophobicContact CG2-CD1 4.16Å; L50-L90 HydrophobicContact CD2-CD1 4Å; F86-L90 HydrophobicContact CD1-CB 4.41Å; F86-L90 HydrophobicContact CE1-CB 4.15Å; F86-L90 HydrophobicContact CE1-CD2 4.37Å; F86-L90 PolarHBondContact O-N 3.3Å; R87-L90 PolarHBondContact O-N 3.45Å; L90-L93 PolarHBondContact O-N 2.9Å; L90-R94 WeakPolarHBondContact O-CG 3.45Å; L90-R94 PolarHBondContact O-N 2.98Å
91N97.8Very high96.5Very high47 Ų4745.1 Ų45.125%0.25123%0.229SC..Hα-helixtrans-66.4-42.7175-75.6-12.4000112R87 H88 I89 L93 R94 T95R87-N91 WeakPolarHBondContact O-CB 3.34Å; R87-N91 VanDerWaalsContact O-CG 3.29Å; R87-N91 PolarHBondContact O-N 3.49Å; H88-N91 PolarHBondContact O-N 3.01Å; I89-N91 VanDerWaalsContact C-N 3.33Å; I89-N91 PolarHBondContact O-N 3.21Å; N91-L93 VanDerWaalsContact C-N 3.27Å; N91-L93 PolarHBondContact O-N 3.17Å; N91-R94 WeakPolarHBondContact O-CA 3.39Å; N91-R94 WeakPolarHBondContact O-CB 3.25Å; N91-R94 PolarHBondContact O-N 2.95Å; N91-R94 PolarHBondContact OD1-NH1 3.44Å; N91-T95 PolarHBondContact O-N 2.92Å; N91-T95 PolarHBondContact O-OG1 3.31Å; N91-T95 VanDerWaalsContact O-OG1 3.08Å
92F97.9Very high95.8Very high24 Ų2448.3 Ų48.311%0.10525%0.252CS..Hα-helixtrans-56.2-42.7172.7178-95.9000111.7H88 I89 R94 G96 L122 A125H88-F92 PolarHBondContact O-N 2.92Å; I89-F92 WeakPolarHBondContact O-CB 3.47Å; I89-F92 PolarHBondContact O-N 3.09Å; F92-R94 PolarHBondContact O-N 3.07Å; F92-G96 WeakPolarHBondContact CE2-O 3.42Å; F92-G96 VanDerWaalsContact O-CA 3.27Å; F92-G96 WeakPolarHBondContact O-CA 3.47Å; F92-G96 PolarHBondContact O-N 3.42Å; F92-L122 HydrophobicContact CB-CD1 4.05Å; F92-L122 HydrophobicContact CB-CD2 4.39Å; F92-L122 HydrophobicContact CD1-CB 3.79Å; F92-L122 HydrophobicContact CD1-CD1 4.25Å; F92-L122 HydrophobicContact CD1-CD2 4.31Å; F92-L122 HydrophobicContact CD1-CG 4.33Å; F92-L122 HydrophobicContact CD2-CB 4.41Å; F92-L122 HydrophobicContact CD2-CD1 3.7Å; F92-L122 HydrophobicContact CE1-CB 3.68Å; F92-L122 HydrophobicContact CE2-CB 4.31Å; F92-L122 HydrophobicContact CE2-CD1 4.2Å; F92-L122 HydrophobicContact CG-CB 4.16Å; F92-L122 HydrophobicContact CG-CD1 3.73Å; F92-L122 HydrophobicContact CG-CD2 4.35Å; F92-L122 HydrophobicContact CG-CG 4.29Å; F92-L122 HydrophobicContact CZ-CB 3.96Å; F92-A125 HydrophobicContact CE2-CB 4.35Å
93L96.7Very high95.1Very high2 Ų251.6 Ų51.61%0.0127%0.27CS..Hα-helixtrans-66.3-23.1176-67.4176.4000113.8T49 L50 R52 H53 L58 I89 L90 N91 L119T49-L93 HydrophobicContact CG2-CB 3.84Å; L50-L93 HydrophobicContact CD2-CD1 4.28Å; R52-L93 VanDerWaalsContact CD-O 3.26Å; R52-L93 WeakPolarHBondContact CD-O 3.43Å; R52-L93 PolarHBondContact NE-O 3.12Å; R52-L93 VanDerWaalsContact NE-O 3.16Å; R52-L93 PolarHBondContact NH1-O 3.39Å; H53-L93 HydrophobicContact CB-CD2 4.5Å; L58-L93 HydrophobicContact CD1-CD1 3.5Å; I89-L93 WeakPolarHBondContact O-CG 3.42Å; I89-L93 PolarHBondContact O-N 3.28Å; L90-L93 PolarHBondContact O-N 2.9Å; N91-L93 VanDerWaalsContact C-N 3.27Å; N91-L93 PolarHBondContact O-N 3.17Å; L93-L119 HydrophobicContact CD2-CD2 3.98Å
94R96.4Very high94.7Very high110 Ų11052.8 Ų52.842%0.41528%0.275SS..Hα-helixtrans-81.9-47.7176.8-70.7169.1175.8150.2-4.6112A44 T49 R52 L90 N91 F92A44-R94 PolarHBondContact O-NH2 3.42Å; T49-R94 HydrophobicContact CG2-CG 3.64Å; R52-R94 VanDerWaalsContact CZ-O 3.32Å; R52-R94 VanDerWaalsContact NH1-C 3.3Å; R52-R94 PolarHBondContact NH1-O 3.23Å; R52-R94 PolarHBondContact NH2-O 2.89Å; R52-R94 VanDerWaalsContact NH2-O 3.08Å; L90-R94 WeakPolarHBondContact O-CG 3.45Å; L90-R94 PolarHBondContact O-N 2.98Å; N91-R94 WeakPolarHBondContact O-CA 3.39Å; N91-R94 WeakPolarHBondContact O-CB 3.25Å; N91-R94 PolarHBondContact O-N 2.95Å; N91-R94 PolarHBondContact OD1-NH1 3.44Å; F92-R94 PolarHBondContact O-N 3.07Å
95T95.9Very high94.2Very high66 Ų6660.4 Ų60.441%0.40530%0.295SS..Hα-helixtrans-92.8-36.6-172.158.40000112.3N91 D97N91-T95 PolarHBondContact O-N 2.92Å; N91-T95 PolarHBondContact O-OG1 3.31Å; N91-T95 VanDerWaalsContact O-OG1 3.08Å; T95-D97 VanDerWaalsContact C-N 3.32Å; T95-D97 PolarHBondContact OG1-N 2.85Å; T95-D97 VanDerWaalsContact OG1-N 3.13Å; T95-D97 PolarHBondContact OG1-O 2.92Å
96G94.4Very high94Very high34 Ų3465.2 Ų65.235%0.35132%0.317SS..SBendtrans91-4.7-166.900000113.4F92F92-G96 WeakPolarHBondContact CE2-O 3.42Å; F92-G96 VanDerWaalsContact O-CA 3.27Å; F92-G96 WeakPolarHBondContact O-CA 3.47Å; F92-G96 PolarHBondContact O-N 3.42Å
97D95.1Very high93.8Very high103 Ų10365.8 Ų65.855%0.55132%0.321SS*.SBendtrans-120.2142.8-172.7-59.5-42.9000111.5T95 Q99T95-D97 VanDerWaalsContact C-N 3.32Å; T95-D97 PolarHBondContact OG1-N 2.85Å; T95-D97 VanDerWaalsContact OG1-N 3.13Å; T95-D97 PolarHBondContact OG1-O 2.92Å; D97-Q99 PolarHBondContact O-N 2.7Å
98L96.4Very high93.6Very high31 Ų3161.1 Ų61.116%0.16231%0.312CS..  trans-77.4112.2173.417962000110.6L100 L110 L122 A125 I126 W129L98-L100 HydrophobicContact CD1-CD1 3.96Å; L98-L100 HydrophobicContact CD1-CD2 3.9Å; L98-L100 HydrophobicContact CD1-CG 3.73Å; L98-L100 HydrophobicContact CD2-CD1 4.02Å; L98-L100 HydrophobicContact CD2-CG 4.46Å; L98-L100 HydrophobicContact CG-CD1 4.07Å; L98-L100 HydrophobicContact CG-CG 3.97Å; L98-L110 HydrophobicContact CD1-CD2 4.12Å; L98-L122 HydrophobicContact CD1-CD1 3.81Å; L98-A125 HydrophobicContact CB-CB 3.95Å; L98-A125 HydrophobicContact CD2-CB 4.33Å; L98-A125 WeakPolarHBondContact CD2-O 3.16Å; L98-I126 HydrophobicContact CD1-CG1 4.3Å; L98-I126 HydrophobicContact CD2-CB 4.28Å; L98-I126 HydrophobicContact CD2-CG1 3.71Å; L98-W129 HydrophobicContact CD2-CB 3.79Å; L98-W129 HydrophobicContact CD2-CG 4.08Å
99Q93.6Very high93.6Very high120 Ų12062.4 Ų62.456%0.56132%0.319SS*.  trans-117.1107.6177.4-64.8-176.3-38.100110.4D97D97-Q99 PolarHBondContact O-N 2.7Å
100L94.6Very high93.6Very high23 Ų2362.4 Ų62.412%0.1232%0.319CS..  trans-120.5143.3179.9-60.6178.5000110.4H88 L98 F104 L110 W129H88-L100 HydrophobicContact CB-CD2 4.35Å; L98-L100 HydrophobicContact CD1-CD1 3.96Å; L98-L100 HydrophobicContact CD1-CD2 3.9Å; L98-L100 HydrophobicContact CD1-CG 3.73Å; L98-L100 HydrophobicContact CD2-CD1 4.02Å; L98-L100 HydrophobicContact CD2-CG 4.46Å; L98-L100 HydrophobicContact CG-CD1 4.07Å; L98-L100 HydrophobicContact CG-CG 3.97Å; L100-F104 HydrophobicContact CB-CB 4.12Å; L100-F104 HydrophobicContact CB-CD1 4.34Å; L100-F104 HydrophobicContact CB-CG 4.28Å; L100-F104 HydrophobicContact CD1-CD1 3.78Å; L100-F104 HydrophobicContact CD1-CE1 4.17Å; L100-F104 HydrophobicContact CD2-CD1 3.89Å; L100-F104 HydrophobicContact CD2-CE1 3.9Å; L100-F104 HydrophobicContact CD2-CG 4.2Å; L100-F104 HydrophobicContact CD2-CZ 4.25Å; L100-F104 HydrophobicContact CG-CD1 4.21Å; L100-L110 HydrophobicContact CD1-CD2 4.19Å; L100-L110 HydrophobicContact CD2-CD2 3.64Å; L100-L110 HydrophobicContact CG-CD2 4.49Å; L100-W129 HydrophobicContact CB-CZ2 3.9Å; L100-W129 HydrophobicContact CD1-CD2 4.03Å; L100-W129 HydrophobicContact CD1-CE3 4.35Å; L100-W129 HydrophobicContact CD1-CH2 4.19Å; L100-W129 HydrophobicContact CD1-CZ2 3.82Å; L100-W129 HydrophobicContact CD1-CZ3 4.47Å; L100-W129 HydrophobicContact CG-CZ2 4.49Å
101P91.6Very high93.6Very high53 Ų5366.1 Ų66.134%0.34433%0.333SS..  trans-54.6149.3166.5-24.633.3000112.2D103 F104P101-D103 WeakPolarHBondContact CB-OD1 3.18Å; P101-D103 PolarHBondContact O-N 2.96Å; P101-D103 VanDerWaalsContact O-N 3.16Å; P101-F104 HydrophobicContact CB-CB 4.34Å; P101-F104 VanDerWaalsContact O-CB 3.23Å; P101-F104 WeakPolarHBondContact O-CB 3.33Å; P101-F104 PolarHBondContact O-N 2.76Å
102D82.1Confident93.6Very high143 Ų14371.2 Ų71.277%0.76535%0.348SS*.THydrogen-bonded Turntrans-58.1-31.2178.6-68.6-29.7000112.2R133D102-R133 VanDerWaalsContact O-CZ 3.25Å; D102-R133 PolarHBondContact O-NH1 3.34Å; D102-R133 PolarHBondContact O-NH2 3Å
103D82.4Confident93.6Very high121 Ų12170.5 Ų70.565%0.64735%0.345SS*.THydrogen-bonded Turntrans-98.112.7-179.570.1-30.9000113.9P101 R105P101-D103 WeakPolarHBondContact CB-OD1 3.18Å; P101-D103 PolarHBondContact O-N 2.96Å; P101-D103 VanDerWaalsContact O-N 3.16Å; D103-R105 WeakPolarHBondContact O-CG 3.26Å; D103-R105 PolarHBondContact O-N 3.27Å; D103-R105 VanDerWaalsContact O-N 3.09Å
104F90.6Very high93.7Very high26 Ų2670.4 Ų70.411%0.11435%0.345CS..  trans-61.2113.8-177.5-171-106.3000112H88 L100 P101 E106 V107 L110H88-F104 AromaticContact CD2-CE2 3.89Å; H88-F104 AromaticContact NE2-CE2 3.56Å; L100-F104 HydrophobicContact CB-CB 4.12Å; L100-F104 HydrophobicContact CB-CD1 4.34Å; L100-F104 HydrophobicContact CB-CG 4.28Å; L100-F104 HydrophobicContact CD1-CD1 3.78Å; L100-F104 HydrophobicContact CD1-CE1 4.17Å; L100-F104 HydrophobicContact CD2-CD1 3.89Å; L100-F104 HydrophobicContact CD2-CE1 3.9Å; L100-F104 HydrophobicContact CD2-CG 4.2Å; L100-F104 HydrophobicContact CD2-CZ 4.25Å; L100-F104 HydrophobicContact CG-CD1 4.21Å; P101-F104 HydrophobicContact CB-CB 4.34Å; P101-F104 VanDerWaalsContact O-CB 3.23Å; P101-F104 WeakPolarHBondContact O-CB 3.33Å; P101-F104 PolarHBondContact O-N 2.76Å; F104-E106 VanDerWaalsContact CE1-C 3.48Å; F104-E106 HydrophobicContact CE1-CB 4.3Å; F104-E106 HydrophobicContact CE2-CB 4.28Å; F104-E106 HydrophobicContact CZ-CB 3.9Å; F104-V107 HydrophobicContact CD1-CG2 3.63Å; F104-V107 HydrophobicContact CE1-CG2 4.1Å; F104-L110 HydrophobicContact CE1-CB 4.14Å; F104-L110 HydrophobicContact CE1-CD2 3.98Å; F104-L110 HydrophobicContact CZ-CB 4.27Å; F104-L110 HydrophobicContact CZ-CD2 4.3Å
105R85.7Confident93.7Very high224 Ų22470.1 Ų70.185%0.84535%0.348SS*.  trans-97.9-12.5-174.3-53.9-165.6178.1-166.7-3.4114.3D103 V107D103-R105 WeakPolarHBondContact O-CG 3.26Å; D103-R105 PolarHBondContact O-N 3.27Å; D103-R105 VanDerWaalsContact O-N 3.09Å; R105-V107 PolarHBondContact O-N 3.06Å
106E93.7Very high93.8Very high102 Ų10271 Ų7148%0.47735%0.347SS..  trans-98.526.9-170.2-63-177.4101.100113F104 G108 L109 L110F104-E106 VanDerWaalsContact CE1-C 3.48Å; F104-E106 HydrophobicContact CE1-CB 4.3Å; F104-E106 HydrophobicContact CE2-CB 4.28Å; F104-E106 HydrophobicContact CZ-CB 3.9Å; E106-G108 VanDerWaalsContact C-N 3.3Å; E106-G108 PolarHBondContact O-N 3.03Å; E106-L109 HydrophobicContact CB-CB 4.32Å; E106-L109 WeakPolarHBondContact O-CA 3.27Å; E106-L109 WeakPolarHBondContact O-CB 3.38Å; E106-L109 PolarHBondContact O-N 3.27Å; E106-L110 PolarHBondContact O-N 3.09Å
107V94Very high93.9Very high14 Ų1469.4 Ų69.49%0.08533%0.33CS..Hα-helixtrans-55.9-43.4-177.7-174.60000111.8F104 R105 L109 L110 R111 I126 W129 E130F104-V107 HydrophobicContact CD1-CG2 3.63Å; F104-V107 HydrophobicContact CE1-CG2 4.1Å; R105-V107 PolarHBondContact O-N 3.06Å; V107-L109 VanDerWaalsContact C-N 3.28Å; V107-L109 PolarHBondContact O-N 2.88Å; V107-L110 PolarHBondContact O-N 3.16Å; V107-R111 PolarHBondContact O-N 3.16Å; V107-I126 HydrophobicContact CG1-CG2 3.65Å; V107-W129 HydrophobicContact CB-CZ3 4.43Å; V107-W129 HydrophobicContact CG1-CE3 4.35Å; V107-W129 HydrophobicContact CG1-CZ3 4.19Å; V107-W129 HydrophobicContact CG2-CE3 4.28Å; V107-W129 HydrophobicContact CG2-CH2 3.72Å; V107-W129 HydrophobicContact CG2-CZ3 3.39Å; V107-E130 HydrophobicContact CG1-CG 3.71Å; V107-E130 WeakPolarHBondContact CG1-OE1 3.29Å
108G92.8Very high94Very high26 Ų2670 Ų7027%0.26832%0.324SS..Hα-helixtrans-68.7-23.7177.700000114.3E106 R112E106-G108 VanDerWaalsContact C-N 3.3Å; E106-G108 PolarHBondContact O-N 3.03Å; G108-R112 WeakPolarHBondContact O-CG 3.45Å; G108-R112 PolarHBondContact O-NE 3.05Å
109L97.1Very high94.1Very high40 Ų4068.5 Ų68.521%0.20932%0.317CS..Hα-helixtrans-78.2-46.4171.4176.558.5000109.8V85 E106 V107 R111 R112 E113V85-L109 HydrophobicContact CG2-CD2 3.63Å; V85-L109 HydrophobicContact CG2-CG 3.93Å; E106-L109 HydrophobicContact CB-CB 4.32Å; E106-L109 WeakPolarHBondContact O-CA 3.27Å; E106-L109 WeakPolarHBondContact O-CB 3.38Å; E106-L109 PolarHBondContact O-N 3.27Å; V107-L109 VanDerWaalsContact C-N 3.28Å; V107-L109 PolarHBondContact O-N 2.88Å; L109-R111 VanDerWaalsContact C-N 3.27Å; L109-R111 PolarHBondContact O-N 2.78Å; L109-R112 WeakPolarHBondContact O-CB 3.42Å; L109-R112 PolarHBondContact O-N 2.87Å; L109-R112 VanDerWaalsContact O-N 3.1Å; L109-E113 PolarHBondContact O-N 2.86Å
110L98.2Very high94.2Very high0 Ų065.9 Ų65.90%031%0.311CS..Hα-helixtrans-55.2-41.5175.117962.2000112.4V85 H88 I89 L98 L100 F104 E106 V107 E113 A114 I126V85-L110 HydrophobicContact CG1-CB 3.99Å; V85-L110 HydrophobicContact CG1-CD1 3.63Å; V85-L110 HydrophobicContact CG1-CG 4.43Å; H88-L110 HydrophobicContact CB-CD1 3.82Å; H88-L110 HydrophobicContact CB-CD2 4.22Å; I89-L110 HydrophobicContact CG1-CD1 3.94Å; L98-L110 HydrophobicContact CD1-CD2 4.12Å; L100-L110 HydrophobicContact CD1-CD2 4.19Å; L100-L110 HydrophobicContact CD2-CD2 3.64Å; L100-L110 HydrophobicContact CG-CD2 4.49Å; F104-L110 HydrophobicContact CE1-CB 4.14Å; F104-L110 HydrophobicContact CE1-CD2 3.98Å; F104-L110 HydrophobicContact CZ-CB 4.27Å; F104-L110 HydrophobicContact CZ-CD2 4.3Å; E106-L110 PolarHBondContact O-N 3.09Å; V107-L110 PolarHBondContact O-N 3.16Å; L110-E113 PolarHBondContact O-N 3.36Å; L110-A114 WeakPolarHBondContact O-CB 3.22Å; L110-A114 PolarHBondContact O-N 3.16Å; L110-I126 HydrophobicContact CD2-CD1 4.05Å; L110-I126 HydrophobicContact CD2-CG1 4.3Å; L110-I126 HydrophobicContact CG-CD1 3.76Å
111R97.9Very high94.3Very high80 Ų8065.9 Ų65.930%0.30232%0.318SS..Hα-helixtrans-60.6-45.6176.2-167.217370.2-145.62.9112.3V107 L109 E113 A114 E115 V123 I126 E130V107-R111 PolarHBondContact O-N 3.16Å; L109-R111 VanDerWaalsContact C-N 3.27Å; L109-R111 PolarHBondContact O-N 2.78Å; R111-E113 VanDerWaalsContact C-N 3.31Å; R111-E113 PolarHBondContact O-N 3.37Å; R111-A114 WeakPolarHBondContact O-CB 3.28Å; R111-A114 PolarHBondContact O-N 2.8Å; R111-E115 WeakPolarHBondContact O-CG 3.36Å; R111-E115 PolarHBondContact O-N 3.48Å; R111-V123 HydrophobicContact CG-CG1 4.49Å; R111-I126 HydrophobicContact CB-CD1 4.4Å; R111-I126 HydrophobicContact CB-CG2 4.23Å; R111-I126 HydrophobicContact CG-CG2 4.45Å; R111-E130 IonicContact NH1-OE1 3.32Å; R111-E130 IonicContact NH1-OE2 3.05Å; R111-E130 PolarHBondContact NH1-OE2 2.9Å
112R97.9Very high94.6Very high154 Ų15463.4 Ų63.458%0.58130%0.301SS*.Hα-helixtrans-63.1-37.2176.6-73.9-178.3-113.4163.4-8.4112.4G108 L109 F116G108-R112 WeakPolarHBondContact O-CG 3.45Å; G108-R112 PolarHBondContact O-NE 3.05Å; L109-R112 WeakPolarHBondContact O-CB 3.42Å; L109-R112 PolarHBondContact O-N 2.87Å; L109-R112 VanDerWaalsContact O-N 3.1Å; R112-F116 PolarHBondContact O-N 3.25Å
113E98.3Very high95.3Very high8 Ų858 Ų584%0.03727%0.273CS..Hα-helixtrans-67.9-43.3173.8-63.3-53.1137.200111.4R81 V85 I89 L109 L110 R111 E115 F116 Y117R81-E113 IonicContact CZ-OE1 3.85Å; R81-E113 VanDerWaalsContact CZ-OE1 3.23Å; R81-E113 IonicContact CZ-OE2 3.23Å; R81-E113 VanDerWaalsContact CZ-OE2 3.32Å; R81-E113 IonicContact NE-OE1 3.54Å; R81-E113 PolarHBondContact NE-OE1 3.29Å; R81-E113 IonicContact NE-OE2 3.44Å; R81-E113 PolarHBondContact NE-OE2 3.14Å; R81-E113 IonicContact NH2-OE1 2.8Å; R81-E113 PolarHBondContact NH2-OE1 2.87Å; R81-E113 IonicContact NH2-OE2 2.66Å; R81-E113 PolarHBondContact NH2-OE2 2.85Å; R81-E113 VanDerWaalsContact NH2-OE2 3.08Å; V85-E113 HydrophobicContact CG1-CB 4.26Å; V85-E113 HydrophobicContact CG1-CG 3.89Å; I89-E113 HydrophobicContact CD1-CB 3.5Å; L109-E113 PolarHBondContact O-N 2.86Å; L110-E113 PolarHBondContact O-N 3.36Å; R111-E113 VanDerWaalsContact C-N 3.31Å; R111-E113 PolarHBondContact O-N 3.37Å; E113-E115 VanDerWaalsContact C-N 3.3Å; E113-E115 PolarHBondContact O-N 3.34Å; E113-F116 WeakPolarHBondContact O-CB 3.4Å; E113-F116 PolarHBondContact O-N 3.41Å; E113-F116 VanDerWaalsContact O-N 3.13Å; E113-Y117 HydrophobicContact CB-CD2 4.47Å; E113-Y117 HydrophobicContact CB-CE2 4.34Å; E113-Y117 WeakPolarHBondContact O-CD2 3.39Å; E113-Y117 PolarHBondContact O-N 3.1Å
114A98.1Very high96Very high0 Ų057.8 Ų57.80%027%0.268CS..Hα-helixtrans-58.4-40.9175.900000112.4L110 R111 R118 L119 L122 V123 I126L110-A114 WeakPolarHBondContact O-CB 3.22Å; L110-A114 PolarHBondContact O-N 3.16Å; R111-A114 WeakPolarHBondContact O-CB 3.28Å; R111-A114 PolarHBondContact O-N 2.8Å; A114-R118 PolarHBondContact O-N 3.49Å; A114-R118 VanDerWaalsContact O-N 3.16Å; A114-L119 PolarHBondContact O-N 3.32Å; A114-L122 HydrophobicContact CB-CB 4.19Å; A114-L122 HydrophobicContact CB-CD2 3.69Å; A114-L122 HydrophobicContact CB-CG 3.74Å; A114-V123 HydrophobicContact CB-CG2 3.75Å; A114-I126 HydrophobicContact CB-CD1 4.15Å
115E97.9Very high96.3Very high104 Ų10457.6 Ų57.649%0.48627%0.272SS..Hα-helixtrans-62.1-47.4172.5-71.4165.4-169.700111.7R111 E113 Y117 R118 V123R111-E115 WeakPolarHBondContact O-CG 3.36Å; R111-E115 PolarHBondContact O-N 3.48Å; E113-E115 VanDerWaalsContact C-N 3.3Å; E113-E115 PolarHBondContact O-N 3.34Å; E115-Y117 VanDerWaalsContact C-N 3.34Å; E115-Y117 PolarHBondContact O-N 3.41Å; E115-R118 WeakPolarHBondContact O-CA 3.42Å; E115-R118 PolarHBondContact O-N 3.28Å; E115-V123 HydrophobicContact CG-CG2 4Å
116F97.3Very high96.8Very high85 Ų8547 Ų4737%0.37323%0.232SC..Hα-helixtrans-57.6-44.9177.6171.9-91.9000112.3V57 I79 R81 R112 E113 R118V57-F116 WeakPolarHBondContact CG2-O 3.37Å; I79-F116 HydrophobicContact CG2-CE1 4.26Å; R81-F116 HydrophobicContact CG-CD1 3.86Å; R81-F116 HydrophobicContact CG-CE1 3.47Å; R81-F116 VanDerWaalsContact CG-CE1 3.47Å; R81-F116 HydrophobicContact CG-CE2 4.39Å; R81-F116 HydrophobicContact CG-CG 4.49Å; R81-F116 HydrophobicContact CG-CZ 3.76Å; R112-F116 PolarHBondContact O-N 3.25Å; E113-F116 WeakPolarHBondContact O-CB 3.4Å; E113-F116 PolarHBondContact O-N 3.41Å; E113-F116 VanDerWaalsContact O-N 3.13Å; F116-R118 PolarHBondContact O-N 2.96Å
117Y96.8Very high96.8Very high0 Ų046.1 Ų46.10%023%0.23CC..THydrogen-bonded Turntrans-76-5178.3-68-69.1000113.5S56 V57 L58 I79 F86 I89 E113 E115S56-Y117 WeakPolarHBondContact CA-O 3.42Å; S56-Y117 WeakPolarHBondContact CB-O 3.14Å; V57-Y117 HydrophobicContact CB-CD1 4.19Å; V57-Y117 HydrophobicContact CG1-CD1 4.35Å; V57-Y117 PolarHBondContact N-O 3.08Å; L58-Y117 HydrophobicContact CD1-CD1 4.04Å; L58-Y117 HydrophobicContact CD1-CG 4.28Å; L58-Y117 HydrophobicContact CD2-CD1 3.81Å; L58-Y117 HydrophobicContact CD2-CE1 3.82Å; L58-Y117 HydrophobicContact CG-CD1 3.71Å; L58-Y117 HydrophobicContact CG-CE1 4.25Å; L58-Y117 HydrophobicContact CG-CG 4.36Å; I79-Y117 HydrophobicContact CD1-CE1 4.32Å; I79-Y117 HydrophobicContact CG2-CE1 4.19Å; I79-Y117 WeakPolarHBondContact CG2-OH 3.29Å; F86-Y117 HydrophobicContact CD2-CE1 4.4Å; F86-Y117 AromaticContact CD2-CE2 3.78Å; F86-Y117 HydrophobicContact CD2-CE2 3.78Å; F86-Y117 AromaticContact CD2-CZ 3.62Å; F86-Y117 WeakPolarHBondContact CD2-OH 3.3Å; F86-Y117 AromaticContact CE2-CE1 3.97Å; F86-Y117 HydrophobicContact CE2-CE1 3.97Å; F86-Y117 HydrophobicContact CE2-CE2 4.05Å; F86-Y117 AromaticContact CE2-CZ 3.64Å; I89-Y117 HydrophobicContact CD1-CD2 3.44Å; I89-Y117 VanDerWaalsContact CD1-CD2 3.44Å; I89-Y117 HydrophobicContact CD1-CE2 3.49Å; I89-Y117 VanDerWaalsContact CD1-CE2 3.49Å; I89-Y117 HydrophobicContact CG2-CD2 4.36Å; E113-Y117 HydrophobicContact CB-CD2 4.47Å; E113-Y117 HydrophobicContact CB-CE2 4.34Å; E113-Y117 WeakPolarHBondContact O-CD2 3.39Å; E113-Y117 PolarHBondContact O-N 3.1Å; E115-Y117 VanDerWaalsContact C-N 3.34Å; E115-Y117 PolarHBondContact O-N 3.41Å
118R97.4Very high96.8Very high115 Ų11551.3 Ų51.343%0.43425%0.253SS..THydrogen-bonded Turntrans56.754.1-175.5-61.5178-69.4170.30.5111.8H53 G55 E60 A114 E115 F116H53-R118 PolarHBondContact CD2-O 2.87Å; H53-R118 VanDerWaalsContact CD2-O 3.32Å; G55-R118 PolarHBondContact O-NE 2.87Å; G55-R118 PolarHBondContact O-NH1 3.04Å; G55-R118 PolarHBondContact O-NH2 2.91Å; G55-R118 VanDerWaalsContact O-NH2 3.16Å; E60-R118 IonicContact OE1-CZ 2.71Å; E60-R118 IonicContact OE1-NH1 3.57Å; E60-R118 IonicContact OE1-NH2 3.06Å; E60-R118 PolarHBondContact OE1-NH2 3.42Å; E60-R118 IonicContact OE2-NH2 3.02Å; E60-R118 PolarHBondContact OE2-NH2 2.92Å; A114-R118 PolarHBondContact O-N 3.49Å; A114-R118 VanDerWaalsContact O-N 3.16Å; E115-R118 WeakPolarHBondContact O-CA 3.42Å; E115-R118 PolarHBondContact O-N 3.28Å; F116-R118 PolarHBondContact O-N 2.96Å
119L97.8Very high96.8Very high1 Ų152.5 Ų52.51%0.00525%0.25CC..  trans-108.478.5178.4-63.1174.5000109.7H53 I89 L93 A114 G121 L122 V123H53-L119 HydrophobicContact CB-CD2 3.65Å; I89-L119 HydrophobicContact CG2-CD1 3.5Å; I89-L119 VanDerWaalsContact CG2-CD1 3.5Å; L93-L119 HydrophobicContact CD2-CD2 3.98Å; A114-L119 PolarHBondContact O-N 3.32Å; L119-G121 VanDerWaalsContact C-N 3.33Å; L119-G121 PolarHBondContact O-N 3Å; L119-L122 HydrophobicContact CB-CB 3.92Å; L119-L122 HydrophobicContact CD1-CD2 4.15Å; L119-L122 WeakPolarHBondContact O-CB 3.27Å; L119-L122 PolarHBondContact O-N 2.95Å; L119-V123 PolarHBondContact O-N 2.79Å; L119-V123 VanDerWaalsContact O-N 3.1Å
120S95.9Very high96.3Very high64 Ų6453.8 Ų53.845%0.44826%0.255SS..Hα-helixtrans-58-43.4-174.359.10000112.7L122 V123 E124S120-L122 PolarHBondContact O-N 3.05Å; S120-V123 WeakPolarHBondContact O-CB 3.34Å; S120-V123 PolarHBondContact O-N 3.08Å; S120-E124 WeakPolarHBondContact O-CG 3.34Å; S120-E124 PolarHBondContact O-N 2.87Å
121G96.3Very high95.7Very high24 Ų2460.2 Ų60.225%0.24729%0.285CS..Hα-helixtrans-62.8-27.8177.800000113.8L119 A125L119-G121 VanDerWaalsContact C-N 3.33Å; L119-G121 PolarHBondContact O-N 3Å; G121-A125 WeakPolarHBondContact O-CB 3.23Å; G121-A125 PolarHBondContact O-N 2.96Å; G121-A125 VanDerWaalsContact O-N 3.1Å
122L97.8Very high95.1Very high0 Ų061.7 Ų61.70%030%0.298CS..Hα-helixtrans-75.7-39.1172.7177.455.7000111.1I89 F92 L98 A114 L119 S120 E124 A125 I126I89-L122 HydrophobicContact CB-CD2 4.43Å; I89-L122 HydrophobicContact CG1-CD2 3.91Å; F92-L122 HydrophobicContact CB-CD1 4.05Å; F92-L122 HydrophobicContact CB-CD2 4.39Å; F92-L122 HydrophobicContact CD1-CB 3.79Å; F92-L122 HydrophobicContact CD1-CD1 4.25Å; F92-L122 HydrophobicContact CD1-CD2 4.31Å; F92-L122 HydrophobicContact CD1-CG 4.33Å; F92-L122 HydrophobicContact CD2-CB 4.41Å; F92-L122 HydrophobicContact CD2-CD1 3.7Å; F92-L122 HydrophobicContact CE1-CB 3.68Å; F92-L122 HydrophobicContact CE2-CB 4.31Å; F92-L122 HydrophobicContact CE2-CD1 4.2Å; F92-L122 HydrophobicContact CG-CB 4.16Å; F92-L122 HydrophobicContact CG-CD1 3.73Å; F92-L122 HydrophobicContact CG-CD2 4.35Å; F92-L122 HydrophobicContact CG-CG 4.29Å; F92-L122 HydrophobicContact CZ-CB 3.96Å; L98-L122 HydrophobicContact CD1-CD1 3.81Å; A114-L122 HydrophobicContact CB-CB 4.19Å; A114-L122 HydrophobicContact CB-CD2 3.69Å; A114-L122 HydrophobicContact CB-CG 3.74Å; L119-L122 HydrophobicContact CB-CB 3.92Å; L119-L122 HydrophobicContact CD1-CD2 4.15Å; L119-L122 WeakPolarHBondContact O-CB 3.27Å; L119-L122 PolarHBondContact O-N 2.95Å; S120-L122 PolarHBondContact O-N 3.05Å; L122-E124 VanDerWaalsContact C-N 3.33Å; L122-A125 PolarHBondContact O-N 2.95Å; L122-I126 HydrophobicContact CD1-CD1 3.98Å; L122-I126 HydrophobicContact CD1-CG1 4.1Å; L122-I126 HydrophobicContact CG-CD1 3.9Å; L122-I126 HydrophobicContact CG-CG1 4.49Å; L122-I126 WeakPolarHBondContact O-CD1 3.4Å; L122-I126 WeakPolarHBondContact O-CG1 3.24Å; L122-I126 PolarHBondContact O-N 3.17Å
123V97.7Very high94.3Very high29 Ų2957.8 Ų57.818%0.17628%0.283CS..Hα-helixtrans-60.2-46175.3176.10000110.4R111 A114 E115 L119 S120 I126 L127R111-V123 HydrophobicContact CG-CG1 4.49Å; A114-V123 HydrophobicContact CB-CG2 3.75Å; E115-V123 HydrophobicContact CG-CG2 4Å; L119-V123 PolarHBondContact O-N 2.79Å; L119-V123 VanDerWaalsContact O-N 3.1Å; S120-V123 WeakPolarHBondContact O-CB 3.34Å; S120-V123 PolarHBondContact O-N 3.08Å; V123-I126 PolarHBondContact O-N 3.28Å; V123-L127 HydrophobicContact CG1-CD1 4.35Å; V123-L127 WeakPolarHBondContact O-CG 3.3Å; V123-L127 PolarHBondContact O-N 3.34Å; V123-L127 VanDerWaalsContact O-N 3.08Å
124E97.1Very high93Very high117 Ų11760.3 Ų60.355%0.54731%0.305SS..Hα-helixtrans-59.5-50.7176-71.5166.5-171.400111.4S120 L122 I126 L127 E128S120-E124 WeakPolarHBondContact O-CG 3.34Å; S120-E124 PolarHBondContact O-N 2.87Å; L122-E124 VanDerWaalsContact C-N 3.33Å; E124-I126 PolarHBondContact O-N 3.08Å; E124-L127 PolarHBondContact O-N 3.13Å; E124-L127 VanDerWaalsContact O-N 3.07Å; E124-E128 PolarHBondContact O-N 3.31Å
125A96.8Very high91.7Very high23 Ų2365.8 Ų65.819%0.1934%0.339CS..Hα-helixtrans-59.6-34.217800000113.1F92 L98 G121 L122 W129F92-A125 HydrophobicContact CE2-CB 4.35Å; L98-A125 HydrophobicContact CB-CB 3.95Å; L98-A125 HydrophobicContact CD2-CB 4.33Å; L98-A125 WeakPolarHBondContact CD2-O 3.16Å; G121-A125 WeakPolarHBondContact O-CB 3.23Å; G121-A125 PolarHBondContact O-N 2.96Å; G121-A125 VanDerWaalsContact O-N 3.1Å; L122-A125 PolarHBondContact O-N 2.95Å; A125-W129 VanDerWaalsContact O-CB 3.27Å; A125-W129 WeakPolarHBondContact O-CB 3.46Å; A125-W129 PolarHBondContact O-N 3.48Å
126I96.8Very high90.2Very high0 Ų068.3 Ų68.30%035%0.351CS..Hα-helixtrans-67.5-44175.4-69.8162.2000110.9L98 V107 L110 R111 A114 L122 V123 E124 W129 E130L98-I126 HydrophobicContact CD1-CG1 4.3Å; L98-I126 HydrophobicContact CD2-CB 4.28Å; L98-I126 HydrophobicContact CD2-CG1 3.71Å; V107-I126 HydrophobicContact CG1-CG2 3.65Å; L110-I126 HydrophobicContact CD2-CD1 4.05Å; L110-I126 HydrophobicContact CD2-CG1 4.3Å; L110-I126 HydrophobicContact CG-CD1 3.76Å; R111-I126 HydrophobicContact CB-CD1 4.4Å; R111-I126 HydrophobicContact CB-CG2 4.23Å; R111-I126 HydrophobicContact CG-CG2 4.45Å; A114-I126 HydrophobicContact CB-CD1 4.15Å; L122-I126 HydrophobicContact CD1-CD1 3.98Å; L122-I126 HydrophobicContact CD1-CG1 4.1Å; L122-I126 HydrophobicContact CG-CD1 3.9Å; L122-I126 HydrophobicContact CG-CG1 4.49Å; L122-I126 WeakPolarHBondContact O-CD1 3.4Å; L122-I126 WeakPolarHBondContact O-CG1 3.24Å; L122-I126 PolarHBondContact O-N 3.17Å; V123-I126 PolarHBondContact O-N 3.28Å; E124-I126 PolarHBondContact O-N 3.08Å; I126-W129 PolarHBondContact O-N 3.25Å; I126-E130 HydrophobicContact CG2-CG 4.48Å; I126-E130 WeakPolarHBondContact O-CG 3.18Å; I126-E130 PolarHBondContact O-N 2.78Å
127L94Very high88.8Confident85 Ų8572.1 Ų72.145%0.44536%0.362SS..Hα-helixtrans-63.6-44.4178.8-68.1172.4000111.4V123 E124 W129 E130 E131V123-L127 HydrophobicContact CG1-CD1 4.35Å; V123-L127 WeakPolarHBondContact O-CG 3.3Å; V123-L127 PolarHBondContact O-N 3.34Å; V123-L127 VanDerWaalsContact O-N 3.08Å; E124-L127 PolarHBondContact O-N 3.13Å; E124-L127 VanDerWaalsContact O-N 3.07Å; L127-W129 VanDerWaalsContact C-N 3.32Å; L127-W129 PolarHBondContact O-N 3.16Å; L127-E130 PolarHBondContact O-N 3.06Å; L127-E131 PolarHBondContact O-N 2.96Å
128E93.1Very high87.4Confident123 Ų12380.5 Ų80.558%0.57540%0.401SS*.Hα-helixtrans-60.5-42.3174.7-70.7-179.9178.600111.7E124 E130 E131 L132E124-E128 PolarHBondContact O-N 3.31Å; E128-E130 PolarHBondContact O-N 3.28Å; E128-E131 PolarHBondContact O-N 3.37Å; E128-L132 WeakPolarHBondContact O-CB 3.27Å; E128-L132 WeakPolarHBondContact O-CG 3.19Å; E128-L132 PolarHBondContact O-N 2.9Å
129W91.8Very high86.2Confident51 Ų5179.4 Ų79.419%0.19341%0.409CS..Hα-helixtrans-64.1-38.9176-175.999.4000112.2L98 L100 V107 A125 I126 L127 R133L98-W129 HydrophobicContact CD2-CB 3.79Å; L98-W129 HydrophobicContact CD2-CG 4.08Å; L100-W129 HydrophobicContact CB-CZ2 3.9Å; L100-W129 HydrophobicContact CD1-CD2 4.03Å; L100-W129 HydrophobicContact CD1-CE3 4.35Å; L100-W129 HydrophobicContact CD1-CH2 4.19Å; L100-W129 HydrophobicContact CD1-CZ2 3.82Å; L100-W129 HydrophobicContact CD1-CZ3 4.47Å; L100-W129 HydrophobicContact CG-CZ2 4.49Å; V107-W129 HydrophobicContact CB-CZ3 4.43Å; V107-W129 HydrophobicContact CG1-CE3 4.35Å; V107-W129 HydrophobicContact CG1-CZ3 4.19Å; V107-W129 HydrophobicContact CG2-CE3 4.28Å; V107-W129 HydrophobicContact CG2-CH2 3.72Å; V107-W129 HydrophobicContact CG2-CZ3 3.39Å; A125-W129 VanDerWaalsContact O-CB 3.27Å; A125-W129 WeakPolarHBondContact O-CB 3.46Å; A125-W129 PolarHBondContact O-N 3.48Å; I126-W129 PolarHBondContact O-N 3.25Å; L127-W129 VanDerWaalsContact C-N 3.32Å; L127-W129 PolarHBondContact O-N 3.16Å; W129-R133 HydrophobicContact CD2-CG 4.39Å; W129-R133 HydrophobicContact CE3-CG 4.46Å; W129-R133 VanDerWaalsContact CZ2-CD 3.4Å; W129-R133 VanDerWaalsContact CZ3-CD 3.45Å; W129-R133 WeakPolarHBondContact O-CB 3.49Å; W129-R133 VanDerWaalsContact O-CG 3.29Å; W129-R133 WeakPolarHBondContact O-CG 3.32Å; W129-R133 PolarHBondContact O-N 3.36Å
130E88.4Confident85.4Confident66 Ų6679.9 Ų79.931%0.30841%0.414SS..Hα-helixtrans-63.6-41.6174-73.6-175.3125.900111.3V107 R111 I126 L127 E128 A134V107-E130 HydrophobicContact CG1-CG 3.71Å; V107-E130 WeakPolarHBondContact CG1-OE1 3.29Å; R111-E130 IonicContact NH1-OE1 3.32Å; R111-E130 IonicContact NH1-OE2 3.05Å; R111-E130 PolarHBondContact NH1-OE2 2.9Å; I126-E130 HydrophobicContact CG2-CG 4.48Å; I126-E130 WeakPolarHBondContact O-CG 3.18Å; I126-E130 PolarHBondContact O-N 2.78Å; L127-E130 PolarHBondContact O-N 3.06Å; E128-E130 PolarHBondContact O-N 3.28Å; E130-A134 PolarHBondContact O-N 3.29Å
131E85.8Confident85Confident135 Ų13580.5 Ų80.563%0.63141%0.408SS*.Hα-helixtrans-68.5-48.3179.4-174.6168.9-159.900112.4L127 E128 R133 A134 V135L127-E131 PolarHBondContact O-N 2.96Å; E128-E131 PolarHBondContact O-N 3.37Å; E131-R133 PolarHBondContact O-N 2.98Å; E131-A134 WeakPolarHBondContact O-CA 3.23Å; E131-A134 WeakPolarHBondContact O-CB 3.34Å; E131-A134 PolarHBondContact O-N 3.45Å; E131-V135 WeakPolarHBondContact O-CG2 3.46Å; E131-V135 PolarHBondContact O-N 2.92Å
132L85.4Confident84.5Confident111 Ų11179.4 Ų79.458%0.58140%0.397SS*.Hα-helixtrans-57.2-39.7176.8-73.9171.3000111.7E128 A134 V135 Q136E128-L132 WeakPolarHBondContact O-CB 3.27Å; E128-L132 WeakPolarHBondContact O-CG 3.19Å; E128-L132 PolarHBondContact O-N 2.9Å; L132-A134 VanDerWaalsContact C-N 3.34Å; L132-V135 PolarHBondContact O-N 3.19Å; L132-Q136 WeakPolarHBondContact O-CG 3.37Å; L132-Q136 PolarHBondContact O-N 3.18Å
133R79.6Confident84Confident73 Ų7382.3 Ų82.328%0.27541%0.41SS..Hα-helixtrans-74.6-24.4176.6-69.6-170.174.7144.26.3113.4D102 W129 E131 R137D102-R133 VanDerWaalsContact O-CZ 3.25Å; D102-R133 PolarHBondContact O-NH1 3.34Å; D102-R133 PolarHBondContact O-NH2 3Å; W129-R133 HydrophobicContact CD2-CG 4.39Å; W129-R133 HydrophobicContact CE3-CG 4.46Å; W129-R133 VanDerWaalsContact CZ2-CD 3.4Å; W129-R133 VanDerWaalsContact CZ3-CD 3.45Å; W129-R133 WeakPolarHBondContact O-CB 3.49Å; W129-R133 VanDerWaalsContact O-CG 3.29Å; W129-R133 WeakPolarHBondContact O-CG 3.32Å; W129-R133 PolarHBondContact O-N 3.36Å; E131-R133 PolarHBondContact O-N 2.98Å; R133-R137 WeakPolarHBondContact O-CG 3.48Å
134A72.4Confident83.3Confident60 Ų6080.9 Ų80.950%0.49640%0.402SS..Hα-helixtrans-70.9-41.1170.300000110.9E130 E131 L132 R137E130-A134 PolarHBondContact O-N 3.29Å; E131-A134 WeakPolarHBondContact O-CA 3.23Å; E131-A134 WeakPolarHBondContact O-CB 3.34Å; E131-A134 PolarHBondContact O-N 3.45Å; L132-A134 VanDerWaalsContact C-N 3.34Å; A134-R137 PolarHBondContact O-N 3.43Å
135V70.8Confident82.6Confident116 Ų11676 Ų7670%0.70338%0.379SS*.Hα-helixtrans-69.4-34.5179176.40000112.4E131 L132 R137E131-V135 WeakPolarHBondContact O-CG2 3.46Å; E131-V135 PolarHBondContact O-N 2.92Å; L132-V135 PolarHBondContact O-N 3.19Å; V135-R137 VanDerWaalsContact C-N 3.28Å; V135-R137 PolarHBondContact O-N 2.78Å
136Q66.3Low81.7Confident157 Ų15776.1 Ų76.173%0.73438%0.377SS*.THydrogen-bonded Turntrans-76.7-10.7177.7-73.1179.20.400114.2L132 E138L132-Q136 WeakPolarHBondContact O-CG 3.37Å; L132-Q136 PolarHBondContact O-N 3.18Å; Q136-E138 PolarHBondContact O-N 3.36Å
137R67.4Low80.4Confident165 Ų16580.2 Ų80.262%0.62340%0.396SS*.SBendtrans-76.2126.6175.7-81.2170.8171.7165.8-0.2108.8R133 A134 V135R133-R137 WeakPolarHBondContact O-CG 3.48Å; A134-R137 PolarHBondContact O-N 3.43Å; V135-R137 VanDerWaalsContact C-N 3.28Å; V135-R137 PolarHBondContact O-N 2.78Å
138E66.8Low78.9Confident175 Ų17586.8 Ų86.882%0.81842%0.415SS*.PPolyproline II helixtrans-54.6143.7164.7-71.4-165.3165.800109.4Q136 A140Q136-E138 PolarHBondContact O-N 3.36Å; E138-A140 PolarHBondContact O-N 3.19Å
139P73Confident77.6Confident93 Ų9386.1 Ų86.160%0.60442%0.424SS*.PPolyproline II helixtrans-53.9129.5179.821.5-32.2000109.7F141 V255 K256P139-F141 PolarHBondContact O-N 3.46Å; P139-V255 HydrophobicContact CB-CG2 3.93Å; P139-K256 CarbonylContact C-O 3.47Å; P139-K256 WeakPolarHBondContact CA-O 3.38Å
140A81.6Confident76.2Confident11 Ų1188.6 Ų88.69%0.09144%0.438CS..PPolyproline II helixtrans-79.9127-177.500000108.9E138 S157 D158 F233 V255 K256E138-A140 PolarHBondContact O-N 3.19Å; A140-S157 VanDerWaalsContact CA-OG 3.32Å; A140-S157 WeakPolarHBondContact CA-OG 3.42Å; A140-D158 HydrophobicContact CB-CB 3.88Å; A140-F233 HydrophobicContact CB-CE1 3.76Å; A140-F233 HydrophobicContact CB-CZ 3.74Å; A140-F233 WeakPolarHBondContact O-CE1 3.43Å; A140-V255 CarbonylContact O-C 3.55Å; A140-V255 WeakPolarHBondContact O-CA 3.36Å; A140-K256 HydrophobicContact CB-CB 4.26Å; A140-K256 PolarHBondContact N-O 2.84Å; A140-K256 PolarHBondContact O-N 2.77Å
141F85.8Confident75.3Confident77 Ų7786.2 Ų86.234%0.33843%0.431SS..EExtended strand (participates in β ladder)trans-100.4131.3175.2-179.3-102.4000109.2P139 E143 Y155 C156 S157 H253P139-F141 PolarHBondContact O-N 3.46Å; F141-E143 HydrophobicContact CD1-CB 4.47Å; F141-E143 HydrophobicContact CE1-CB 3.73Å; F141-E143 HydrophobicContact CZ-CB 4.28Å; F141-Y155 HydrophobicContact CD1-CD1 4.19Å; F141-Y155 HydrophobicContact CD1-CE1 4.07Å; F141-C156 CarbonylContact O-C 3.47Å; F141-C156 WeakPolarHBondContact O-CA 3.34Å; F141-S157 PolarHBondContact N-OG 3.1Å; F141-S157 PolarHBondContact O-N 3.27Å; F141-H253 HydrophobicContact CE2-CB 4.07Å; F141-H253 HydrophobicContact CZ-CB 4.22Å; F141-H253 AromaticContact CZ-CD2 3.49Å; F141-H253 VanDerWaalsContact CZ-CD2 3.49Å; F141-H253 WeakPolarHBondContact CZ-CD2 3.4Å
142L86.1Confident74.8Confident0 Ų079.8 Ų79.80%040%0.401CS..EExtended strand (participates in β ladder)trans-122.7132.3175.6162.773.9000109.1V144 V154 Y155 C156 F161 A228 F233 H253 F254L142-V144 HydrophobicContact CD1-CG2 4.17Å; L142-V144 HydrophobicContact CG-CG2 4.35Å; L142-V154 HydrophobicContact CD1-CG1 3.66Å; L142-Y155 CarbonylContact C-O 3.46Å; L142-Y155 VanDerWaalsContact CA-O 3.32Å; L142-Y155 WeakPolarHBondContact CA-O 3.49Å; L142-Y155 VanDerWaalsContact CD1-O 3.22Å; L142-Y155 WeakPolarHBondContact CD1-O 3.25Å; L142-C156 HydrophobicContact CD1-CB 4.09Å; L142-F161 HydrophobicContact CD1-CD1 4.1Å; L142-F161 HydrophobicContact CD1-CE1 3.59Å; L142-F161 HydrophobicContact CD1-CZ 4.47Å; L142-F161 HydrophobicContact CD2-CE1 3.86Å; L142-F161 HydrophobicContact CD2-CZ 3.97Å; L142-F161 HydrophobicContact CG-CE1 4.37Å; L142-A228 HydrophobicContact CD2-CB 3.31Å; L142-F233 HydrophobicContact CB-CD1 3.82Å; L142-F233 HydrophobicContact CB-CE1 3.66Å; L142-F233 HydrophobicContact CB-CZ 4.38Å; L142-F233 HydrophobicContact CD2-CD1 4.33Å; L142-F233 HydrophobicContact CD2-CG 4.39Å; L142-H253 CarbonylContact O-C 3.54Å; L142-H253 WeakPolarHBondContact O-CA 3.39Å; L142-F254 HydrophobicContact CB-CB 4.12Å; L142-F254 HydrophobicContact CB-CD2 4.48Å; L142-F254 HydrophobicContact CD2-CB 4.17Å; L142-F254 HydrophobicContact CD2-CD2 3.73Å; L142-F254 HydrophobicContact CD2-CE2 4.37Å; L142-F254 HydrophobicContact CD2-CG 4.01Å; L142-F254 HydrophobicContact CG-CB 4.42Å; L142-F254 HydrophobicContact CG-CD2 3.93Å; L142-F254 HydrophobicContact CG-CG 4.47Å; L142-F254 PolarHBondContact N-O 3.48Å; L142-F254 PolarHBondContact O-N 3.47Å
143E86.9Confident74.6Confident61 Ų6177.7 Ų77.729%0.28539%0.387SS..EExtended strand (participates in β ladder)trans-127.2130.1177.1177.4179.3-172.800109.5F141 T145 V154 Y155 L252 H253F141-E143 HydrophobicContact CD1-CB 4.47Å; F141-E143 HydrophobicContact CE1-CB 3.73Å; F141-E143 HydrophobicContact CZ-CB 4.28Å; E143-T145 HydrophobicContact CG-CG2 3.82Å; E143-T145 WeakPolarHBondContact OE1-CG2 3.42Å; E143-V154 CarbonylContact O-C 3.59Å; E143-V154 WeakPolarHBondContact O-CA 3.48Å; E143-Y155 HydrophobicContact CB-CD1 4.42Å; E143-Y155 PolarHBondContact N-O 2.87Å; E143-Y155 PolarHBondContact O-N 3.03Å; E143-L252 CarbonylContact C-O 3.42Å; E143-L252 WeakPolarHBondContact CA-O 3.31Å; E143-H253 IonicContact OE1-NE2 2.78Å
144V84.8Confident74.8Confident0 Ų074.2 Ų74.20%037%0.374CS..EExtended strand (participates in β ladder)trans-121.5110.3176.9-1780000108.1L142 F152 K153 V154 K221 T224 A251 L252 F254L142-V144 HydrophobicContact CD1-CG2 4.17Å; L142-V144 HydrophobicContact CG-CG2 4.35Å; V144-F152 HydrophobicContact CG1-CD2 4.39Å; V144-F152 HydrophobicContact CG1-CE2 3.34Å; V144-F152 HydrophobicContact CG1-CZ 3.55Å; V144-K153 CarbonylContact C-O 3.56Å; V144-K153 WeakPolarHBondContact CA-O 3.49Å; V144-V154 HydrophobicContact CG1-CG2 4.47Å; V144-V154 HydrophobicContact CG2-CG1 4.39Å; V144-K221 HydrophobicContact CG1-CG 4.19Å; V144-T224 HydrophobicContact CG2-CG2 3.83Å; V144-A251 CarbonylContact O-C 3.53Å; V144-A251 WeakPolarHBondContact O-CA 3.49Å; V144-L252 HydrophobicContact CB-CB 4.31Å; V144-L252 PolarHBondContact N-O 2.74Å; V144-L252 PolarHBondContact O-N 3.39Å; V144-F254 HydrophobicContact CG2-CE2 4.36Å
145T82.3Confident75.5Confident13 Ų1375 Ų758%0.0837%0.365CS..EExtended strand (participates in β ladder)trans-114.4145.3-179.856.50000112.4E143 F152 K153 A251E143-T145 HydrophobicContact CG-CG2 3.82Å; E143-T145 WeakPolarHBondContact OE1-CG2 3.42Å; T145-F152 WeakPolarHBondContact O-CA 3.41Å; T145-F152 WeakPolarHBondContact O-CD2 3.46Å; T145-K153 PolarHBondContact N-O 3.1Å; T145-K153 PolarHBondContact O-N 3.33Å; T145-A251 HydrophobicContact CG2-CB 3.97Å
146D76.1Confident76.2Confident27 Ų2769.4 Ų69.414%0.14433%0.331CS..EExtended strand (participates in β ladder)trans-123.492.7169.4168.114000108.2K198 L217 E250D146-K198 IonicContact OD1-NZ 3Å; D146-K198 PolarHBondContact OD1-NZ 3.38Å; D146-K198 IonicContact OD2-NZ 3.67Å; D146-K198 PolarHBondContact OD2-NZ 2.66Å; D146-L217 WeakPolarHBondContact OD1-CD2 3.28Å; D146-L217 VanDerWaalsContact OD2-CD2 3.31Å; D146-L217 WeakPolarHBondContact OD2-CD2 3.31Å; D146-E250 PolarHBondContact N-O 3.38Å
147E69.6Low77Confident85 Ų8564.2 Ų64.240%0.39731%0.312SS..EExtended strand (participates in β ladder)trans-103.1134.9178.2-70.7-172.3-177.900111.4S149 Q150 G151E147-S149 PolarHBondContact O-N 2.96Å; E147-S149 VanDerWaalsContact O-N 3.15Å; E147-Q150 HydrophobicContact CB-CB 4.18Å; E147-Q150 PolarHBondContact O-N 2.9Å; E147-Q150 WeakPolarHBondContact OE2-CG 3.09Å; E147-G151 PolarHBondContact N-O 3.24Å; E147-G151 VanDerWaalsContact N-O 3.13Å; E147-G151 WeakPolarHBondContact O-CA 3.26Å; E147-G151 PolarHBondContact O-N 3.04Å
148R63.4Low77.7Confident223 Ų22357.7 Ų57.784%0.84229%0.29SS*.THydrogen-bonded Turntrans-57.1-32.8-178.9-65-175.8-172.9-163.1-1.1113.6
149S65Low78.3Confident110 Ų11052 Ų5277%0.76927%0.268SS*.THydrogen-bonded Turntrans-95.2-25.2-177.4470000114.4E147E147-S149 PolarHBondContact O-N 2.96Å; E147-S149 VanDerWaalsContact O-N 3.15Å
150Q62.8Low78.7Confident102 Ų10249.9 Ų49.948%0.47726%0.255SS..THydrogen-bonded Turntrans-113.1-8.9-172.7-57.8-159.48.500114.1E147 Q192E147-Q150 HydrophobicContact CB-CB 4.18Å; E147-Q150 PolarHBondContact O-N 2.9Å; E147-Q150 WeakPolarHBondContact OE2-CG 3.09Å; Q150-Q192 PolarHBondContact O-NE2 2.93Å
151G69.5Low78.8Confident16 Ų1649.4 Ų49.417%0.16525%0.251CS..EExtended strand (participates in β ladder)trans82.9-162.718000000113.4E147E147-G151 PolarHBondContact N-O 3.24Å; E147-G151 VanDerWaalsContact N-O 3.13Å; E147-G151 WeakPolarHBondContact O-CA 3.26Å; E147-G151 PolarHBondContact O-N 3.04Å
152F75.6Confident78.6Confident1 Ų145.8 Ų45.80%0.00424%0.235CC..EExtended strand (participates in β ladder)trans-81.1130.3174.2-171.9-114.9000110.2V144 T145 V154 F193 F196 L217 L220 K221V144-F152 HydrophobicContact CG1-CD2 4.39Å; V144-F152 HydrophobicContact CG1-CE2 3.34Å; V144-F152 HydrophobicContact CG1-CZ 3.55Å; T145-F152 WeakPolarHBondContact O-CA 3.41Å; T145-F152 WeakPolarHBondContact O-CD2 3.46Å; F152-V154 HydrophobicContact CD1-CG2 4.1Å; F152-V154 HydrophobicContact CE1-CG2 3.3Å; F152-V154 HydrophobicContact CZ-CG2 3.61Å; F152-F193 HydrophobicContact CB-CB 4.39Å; F152-F193 HydrophobicContact CB-CD2 4.13Å; F152-F193 AromaticContact CD1-CD2 3.58Å; F152-F193 HydrophobicContact CD1-CD2 3.58Å; F152-F193 AromaticContact CD1-CE2 3.6Å; F152-F193 HydrophobicContact CD1-CE2 3.6Å; F152-F193 HydrophobicContact CE1-CE2 4.11Å; F152-F193 HydrophobicContact CG-CD2 4.36Å; F152-F193 PolarHBondContact O-N 3.45Å; F152-F196 HydrophobicContact CB-CD2 4.31Å; F152-F196 HydrophobicContact CB-CE2 3.36Å; F152-F196 HydrophobicContact CB-CZ 3.84Å; F152-L217 HydrophobicContact CB-CD1 3.41Å; F152-L217 VanDerWaalsContact CB-CD1 3.41Å; F152-L217 HydrophobicContact CD2-CD1 3.46Å; F152-L217 VanDerWaalsContact CD2-CD1 3.46Å; F152-L217 HydrophobicContact CE2-CD1 4.41Å; F152-L217 HydrophobicContact CG-CD1 3.62Å; F152-L220 HydrophobicContact CD1-CD2 3.45Å; F152-L220 VanDerWaalsContact CD1-CD2 3.45Å; F152-L220 HydrophobicContact CD1-CG 4.02Å; F152-L220 HydrophobicContact CE1-CD1 4.47Å; F152-L220 HydrophobicContact CE1-CD2 3.58Å; F152-L220 HydrophobicContact CE1-CG 3.6Å; F152-L220 HydrophobicContact CG-CD2 4.24Å; F152-L220 HydrophobicContact CZ-CD2 4.46Å; F152-L220 HydrophobicContact CZ-CG 4.17Å; F152-K221 HydrophobicContact CE2-CB 3.8Å; F152-K221 HydrophobicContact CE2-CD 4.34Å; F152-K221 HydrophobicContact CE2-CG 4.03Å; F152-K221 HydrophobicContact CZ-CB 4.18Å
153K80.8Confident78.2Confident66 Ų6650.5 Ų50.529%0.28726%0.26SS..EExtended strand (participates in β ladder)trans-132.4135.3177.4-169.5-179.8178.8-1770110.3V144 T145 V190 I191V144-K153 CarbonylContact C-O 3.56Å; V144-K153 WeakPolarHBondContact CA-O 3.49Å; T145-K153 PolarHBondContact N-O 3.1Å; T145-K153 PolarHBondContact O-N 3.33Å; K153-V190 HydrophobicContact CD-CG1 4.19Å; K153-V190 HydrophobicContact CG-CG1 3.71Å; K153-I191 CarbonylContact C-O 3.54Å; K153-I191 WeakPolarHBondContact CA-O 3.23Å
154V83.7Confident77.8Confident0 Ų053.1 Ų53.10%027%0.271CS..EExtended strand (participates in β ladder)trans-118.9112.7171.8-176.80000106.9L142 E143 V144 F152 F161 I162 V190 I191 T224L142-V154 HydrophobicContact CD1-CG1 3.66Å; E143-V154 CarbonylContact O-C 3.59Å; E143-V154 WeakPolarHBondContact O-CA 3.48Å; V144-V154 HydrophobicContact CG1-CG2 4.47Å; V144-V154 HydrophobicContact CG2-CG1 4.39Å; F152-V154 HydrophobicContact CD1-CG2 4.1Å; F152-V154 HydrophobicContact CE1-CG2 3.3Å; F152-V154 HydrophobicContact CZ-CG2 3.61Å; V154-F161 HydrophobicContact CG1-CE1 4.46Å; V154-I162 HydrophobicContact CG1-CD1 4.39Å; V154-V190 CarbonylContact O-C 3.54Å; V154-V190 VanDerWaalsContact O-CA 3.29Å; V154-V190 WeakPolarHBondContact O-CA 3.25Å; V154-I191 HydrophobicContact CB-CB 4.41Å; V154-I191 PolarHBondContact N-O 3.26Å; V154-I191 PolarHBondContact O-N 3.26Å; V154-T224 HydrophobicContact CG1-CG2 3.91Å; V154-T224 HydrophobicContact CG2-CG2 3.88Å
155Y86.7Confident77.4Confident76 Ų7653.3 Ų53.330%0.29827%0.272SS..EExtended strand (participates in β ladder)trans-105.4136171.7170.4-99.3000109.9F141 L142 E143 N189 V190F141-Y155 HydrophobicContact CD1-CD1 4.19Å; F141-Y155 HydrophobicContact CD1-CE1 4.07Å; L142-Y155 CarbonylContact C-O 3.46Å; L142-Y155 VanDerWaalsContact CA-O 3.32Å; L142-Y155 WeakPolarHBondContact CA-O 3.49Å; L142-Y155 VanDerWaalsContact CD1-O 3.22Å; L142-Y155 WeakPolarHBondContact CD1-O 3.25Å; E143-Y155 HydrophobicContact CB-CD1 4.42Å; E143-Y155 PolarHBondContact N-O 2.87Å; E143-Y155 PolarHBondContact O-N 3.03Å; Y155-N189 CarbonylContact C-O 3.59Å; Y155-N189 VanDerWaalsContact CA-O 3.29Å; Y155-N189 WeakPolarHBondContact CA-O 3.42Å; Y155-N189 HydrophobicContact CD2-CB 4.07Å; Y155-N189 WeakPolarHBondContact CD2-O 3.21Å; Y155-N189 HydrophobicContact CE2-CB 3.74Å; Y155-V190 HydrophobicContact CD2-CG2 3.73Å
156C85.8Confident77.1Confident0 Ų057 Ų570%029%0.286CS..EExtended strand (participates in β ladder)trans-141.1133.6171.6-171.90000110F141 L142 D158 F161 I162 N189F141-C156 CarbonylContact O-C 3.47Å; F141-C156 WeakPolarHBondContact O-CA 3.34Å; L142-C156 HydrophobicContact CD1-CB 4.09Å; C156-D158 PolarHBondContact O-N 3.42Å; C156-D158 PolarHBondContact SG-N 2.96Å; C156-D158 VanDerWaalsContact SG-N 3.4Å; C156-D158 PolarHBondContact SG-O 3.2Å; C156-D158 VanDerWaalsContact SG-O 3.39Å; C156-F161 HydrophobicContact CB-CB 4.42Å; C156-F161 HydrophobicContact CB-CD1 3.83Å; C156-I162 HydrophobicContact CB-CD1 3.79Å; C156-I162 HydrophobicContact CB-CG1 3.98Å; C156-N189 PolarHBondContact N-O 3.13Å; C156-N189 WeakPolarHBondContact O-CB 3.37Å
157S84.3Confident76.8Confident47 Ų4757.2 Ų57.233%0.32930%0.295SS..SBendtrans-71.1-16.5173.5660000113.1A140 F141 P159A140-S157 VanDerWaalsContact CA-OG 3.32Å; A140-S157 WeakPolarHBondContact CA-OG 3.42Å; F141-S157 PolarHBondContact N-OG 3.1Å; F141-S157 PolarHBondContact O-N 3.27Å; S157-P159 WeakPolarHBondContact O-CD 3.32Å
158D81.8Confident76.9Confident29 Ų2957.7 Ų57.716%0.15529%0.293CS..  trans-93.2105.8168.7177.15.8000110.6A140 C156 S160 F161A140-D158 HydrophobicContact CB-CB 3.88Å; C156-D158 PolarHBondContact O-N 3.42Å; C156-D158 PolarHBondContact SG-N 2.96Å; C156-D158 VanDerWaalsContact SG-N 3.4Å; C156-D158 PolarHBondContact SG-O 3.2Å; C156-D158 VanDerWaalsContact SG-O 3.39Å; D158-S160 PolarHBondContact O-N 3.29Å; D158-S160 VanDerWaalsContact OD1-CB 3.25Å; D158-S160 WeakPolarHBondContact OD1-CB 3.29Å; D158-S160 PolarHBondContact OD1-N 2.68Å; D158-S160 PolarHBondContact OD1-OG 3.35Å; D158-S160 PolarHBondContact OD2-OG 3.06Å; D158-F161 HydrophobicContact CB-CB 4.46Å; D158-F161 WeakPolarHBondContact O-CB 3.4Å; D158-F161 PolarHBondContact O-N 3.19Å; D158-F161 VanDerWaalsContact O-N 3.12Å
159P78.8Confident77.2Confident56 Ų5647.8 Ų47.836%0.36426%0.257SS..Hα-helixtrans-62.3-27.2179.6-23.135.2000113.2S157 F161 I162 D163 S188S157-P159 WeakPolarHBondContact O-CD 3.32Å; P159-F161 PolarHBondContact O-N 3.36Å; P159-I162 WeakPolarHBondContact O-CB 3.21Å; P159-I162 PolarHBondContact O-N 2.99Å; P159-I162 VanDerWaalsContact O-N 3.1Å; P159-D163 PolarHBondContact O-N 3.44Å; P159-S188 WeakPolarHBondContact CA-O 3.29Å; P159-S188 WeakPolarHBondContact CB-O 3.5Å
160S81.1Confident77.3Confident47 Ų4744.4 Ų44.433%0.32923%0.232SC..Hα-helixtrans-67-26.9179.380.20000111.9D158 K164D158-S160 PolarHBondContact O-N 3.29Å; D158-S160 VanDerWaalsContact OD1-CB 3.25Å; D158-S160 WeakPolarHBondContact OD1-CB 3.29Å; D158-S160 PolarHBondContact OD1-N 2.68Å; D158-S160 PolarHBondContact OD1-OG 3.35Å; D158-S160 PolarHBondContact OD2-OG 3.06Å; S160-K164 WeakPolarHBondContact O-CG 3.47Å; S160-K164 PolarHBondContact O-N 3.46Å
161F83.3Confident77.4Confident2 Ų245.4 Ų45.41%0.00924%0.237CC..Hα-helixtrans-70.1-42.1171.6-177.4-100.3000111.4L142 V154 C156 D158 P159 D163 K164 V165 L227 A228 A231 F233L142-F161 HydrophobicContact CD1-CD1 4.1Å; L142-F161 HydrophobicContact CD1-CE1 3.59Å; L142-F161 HydrophobicContact CD1-CZ 4.47Å; L142-F161 HydrophobicContact CD2-CE1 3.86Å; L142-F161 HydrophobicContact CD2-CZ 3.97Å; L142-F161 HydrophobicContact CG-CE1 4.37Å; V154-F161 HydrophobicContact CG1-CE1 4.46Å; C156-F161 HydrophobicContact CB-CB 4.42Å; C156-F161 HydrophobicContact CB-CD1 3.83Å; D158-F161 HydrophobicContact CB-CB 4.46Å; D158-F161 WeakPolarHBondContact O-CB 3.4Å; D158-F161 PolarHBondContact O-N 3.19Å; D158-F161 VanDerWaalsContact O-N 3.12Å; P159-F161 PolarHBondContact O-N 3.36Å; F161-D163 VanDerWaalsContact C-N 3.3Å; F161-D163 PolarHBondContact O-N 3.47Å; F161-K164 WeakPolarHBondContact O-CB 3.47Å; F161-K164 PolarHBondContact O-N 2.89Å; F161-K164 VanDerWaalsContact O-N 3.09Å; F161-V165 HydrophobicContact CD1-CG2 3.98Å; F161-V165 HydrophobicContact CE1-CG2 3.52Å; F161-V165 HydrophobicContact CE2-CG2 4.35Å; F161-V165 HydrophobicContact CZ-CG2 3.73Å; F161-V165 WeakPolarHBondContact O-CG2 3.5Å; F161-V165 PolarHBondContact O-N 3.17Å; F161-L227 HydrophobicContact CE2-CB 4.22Å; F161-L227 HydrophobicContact CZ-CB 4.29Å; F161-A228 HydrophobicContact CE2-CB 4.38Å; F161-A228 HydrophobicContact CZ-CB 4.03Å; F161-A231 HydrophobicContact CD2-CB 3.97Å; F161-A231 HydrophobicContact CE2-CB 4Å; F161-F233 AromaticContact CD2-CE2 3.93Å; F161-F233 HydrophobicContact CD2-CE2 3.93Å; F161-F233 HydrophobicContact CE2-CE2 4.37Å; F161-F233 HydrophobicContact CG-CE2 4.21Å
162I82.9Confident76.9Confident1 Ų147.3 Ų47.31%0.00524%0.242CC..Hα-helixtrans-59-43.1175.2-64.5-59.7000110.9V154 C156 P159 K164 V165 K166 V186 N189 I191V154-I162 HydrophobicContact CG1-CD1 4.39Å; C156-I162 HydrophobicContact CB-CD1 3.79Å; C156-I162 HydrophobicContact CB-CG1 3.98Å; P159-I162 WeakPolarHBondContact O-CB 3.21Å; P159-I162 PolarHBondContact O-N 2.99Å; P159-I162 VanDerWaalsContact O-N 3.1Å; I162-K164 VanDerWaalsContact C-N 3.32Å; I162-K164 PolarHBondContact O-N 3.25Å; I162-V165 PolarHBondContact O-N 2.97Å; I162-K166 WeakPolarHBondContact O-CB 3.47Å; I162-K166 PolarHBondContact O-N 3.05Å; I162-V186 HydrophobicContact CG2-CG1 3.85Å; I162-N189 WeakPolarHBondContact CD1-O 3.45Å; I162-I191 HydrophobicContact CD1-CG1 4.34Å; I162-I191 HydrophobicContact CG2-CD1 4.11Å; I162-I191 HydrophobicContact CG2-CG1 3.85Å
163D77.7Confident75.9Confident98 Ų9848 Ų4852%0.52425%0.248SC..Hα-helixtrans-61.5-38174.8-77.6-29.1000112.7P159 F161 G167P159-D163 PolarHBondContact O-N 3.44Å; F161-D163 VanDerWaalsContact C-N 3.3Å; F161-D163 PolarHBondContact O-N 3.47Å; D163-G167 PolarHBondContact O-N 3.23Å
164K78.3Confident74.4Confident117 Ų11753.2 Ų53.251%0.50927%0.27SS..Hα-helixtrans-65.7-45.4174.6-72.8170.3-174.5172.30111.8S160 F161 I162 G167 R168S160-K164 WeakPolarHBondContact O-CG 3.47Å; S160-K164 PolarHBondContact O-N 3.46Å; F161-K164 WeakPolarHBondContact O-CB 3.47Å; F161-K164 PolarHBondContact O-N 2.89Å; F161-K164 VanDerWaalsContact O-N 3.09Å; I162-K164 VanDerWaalsContact C-N 3.32Å; I162-K164 PolarHBondContact O-N 3.25Å; K164-G167 PolarHBondContact O-N 3.45Å; K164-R168 VanDerWaalsContact O-CB 3.32Å; K164-R168 WeakPolarHBondContact O-CB 3.37Å; K164-R168 PolarHBondContact O-N 3.42Å
165V76.7Confident72.9Confident3 Ų357.2 Ų57.22%0.01830%0.298CS..Hα-helixtrans-62.5-47177.4178.80000109.7F161 I162 G167 R168 L169 I191 L227F161-V165 HydrophobicContact CD1-CG2 3.98Å; F161-V165 HydrophobicContact CE1-CG2 3.52Å; F161-V165 HydrophobicContact CE2-CG2 4.35Å; F161-V165 HydrophobicContact CZ-CG2 3.73Å; F161-V165 WeakPolarHBondContact O-CG2 3.5Å; F161-V165 PolarHBondContact O-N 3.17Å; I162-V165 PolarHBondContact O-N 2.97Å; V165-G167 PolarHBondContact O-N 2.82Å; V165-R168 PolarHBondContact O-N 3.4Å; V165-L169 HydrophobicContact CG1-CD1 3.9Å; V165-L169 HydrophobicContact CG1-CG 4.37Å; V165-L169 WeakPolarHBondContact O-CB 3.45Å; V165-L169 VanDerWaalsContact O-CG 3.23Å; V165-L169 WeakPolarHBondContact O-CG 3.46Å; V165-L169 PolarHBondContact O-N 3.42Å; V165-I191 HydrophobicContact CB-CD1 3.63Å; V165-I191 HydrophobicContact CG1-CD1 3.44Å; V165-I191 VanDerWaalsContact CG1-CD1 3.44Å; V165-L227 HydrophobicContact CG2-CD1 4.14Å
166K75.1Confident71.2Confident90 Ų9062 Ų6239%0.39132%0.315SS..Hα-helixtrans-56.7-50.3173.9180-175-179.9177.10111.8I162 R168 L169 V170 V186I162-K166 WeakPolarHBondContact O-CB 3.47Å; I162-K166 PolarHBondContact O-N 3.05Å; K166-R168 VanDerWaalsContact C-N 3.31Å; K166-R168 PolarHBondContact O-N 3.41Å; K166-L169 WeakPolarHBondContact O-CB 3.23Å; K166-L169 PolarHBondContact O-N 3.29Å; K166-V170 WeakPolarHBondContact O-CB 3.3Å; K166-V170 VanDerWaalsContact O-CG2 3.28Å; K166-V170 WeakPolarHBondContact O-CG2 3.07Å; K166-V170 PolarHBondContact O-N 3.19Å; K166-V186 HydrophobicContact CD-CG1 4.26Å; K166-V186 HydrophobicContact CD-CG2 4.44Å
167G70.7Confident69.3Low32 Ų3263.9 Ų63.933%0.3333%0.326SS..Hα-helixtrans-60.1-41.7179.500000112.2D163 K164 V165 V170 Q171D163-G167 PolarHBondContact O-N 3.23Å; K164-G167 PolarHBondContact O-N 3.45Å; V165-G167 PolarHBondContact O-N 2.82Å; G167-V170 PolarHBondContact O-N 3.39Å; G167-Q171 WeakPolarHBondContact O-CG 3.35Å; G167-Q171 PolarHBondContact O-N 3Å
168R71.8Confident67.3Low95 Ų9570 Ų7036%0.35836%0.355SS..Hα-helixtrans-65.6-43.7176.1-176.656.7175156.55.4112K164 V165 K166 V170 Q171 I172 E223 L227K164-R168 VanDerWaalsContact O-CB 3.32Å; K164-R168 WeakPolarHBondContact O-CB 3.37Å; K164-R168 PolarHBondContact O-N 3.42Å; V165-R168 PolarHBondContact O-N 3.4Å; K166-R168 VanDerWaalsContact C-N 3.31Å; K166-R168 PolarHBondContact O-N 3.41Å; R168-V170 VanDerWaalsContact C-N 3.31Å; R168-V170 PolarHBondContact O-N 3.35Å; R168-Q171 PolarHBondContact O-N 3.03Å; R168-I172 HydrophobicContact CG-CD1 4.02Å; R168-I172 VanDerWaalsContact O-CG1 3.31Å; R168-I172 WeakPolarHBondContact O-CG1 3.44Å; R168-I172 PolarHBondContact O-N 3.4Å; R168-E223 HydrophobicContact CG-CG 4.48Å; R168-E223 IonicContact CZ-OE1 3.08Å; R168-E223 IonicContact NE-OE1 3.99Å; R168-E223 PolarHBondContact NE-OE1 3.25Å; R168-E223 IonicContact NH2-OE1 2.78Å; R168-E223 PolarHBondContact NH2-OE1 3.15Å; R168-L227 HydrophobicContact CB-CD1 4.15Å; R168-L227 HydrophobicContact CG-CD1 4.08Å
169L69.8Low65.7Low16 Ų1669.9 Ų69.98%0.08436%0.36CS..Hα-helixtrans-59.4-43.8174.6-75.8169.9000111.7V165 K166 Q171 I172 S173 F180 I191 F193 L220V165-L169 HydrophobicContact CG1-CD1 3.9Å; V165-L169 HydrophobicContact CG1-CG 4.37Å; V165-L169 WeakPolarHBondContact O-CB 3.45Å; V165-L169 VanDerWaalsContact O-CG 3.23Å; V165-L169 WeakPolarHBondContact O-CG 3.46Å; V165-L169 PolarHBondContact O-N 3.42Å; K166-L169 WeakPolarHBondContact O-CB 3.23Å; K166-L169 PolarHBondContact O-N 3.29Å; L169-Q171 PolarHBondContact O-N 3.48Å; L169-I172 PolarHBondContact O-N 2.74Å; L169-S173 WeakPolarHBondContact O-CB 3.32Å; L169-S173 PolarHBondContact O-N 3.3Å; L169-S173 PolarHBondContact O-OG 2.95Å; L169-F180 HydrophobicContact CB-CE1 4.18Å; L169-F180 HydrophobicContact CB-CZ 3.9Å; L169-I191 HydrophobicContact CD1-CD1 4.37Å; L169-I191 HydrophobicContact CD1-CG2 4.41Å; L169-F193 HydrophobicContact CD1-CZ 3.77Å; L169-F193 HydrophobicContact CD2-CZ 4.29Å; L169-L220 HydrophobicContact CD2-CD1 3.28Å; L169-L220 HydrophobicContact CG-CD1 4.4Å
170V66Low64.5Low39 Ų3969.1 Ų69.124%0.23635%0.351CS..Hα-helixtrans-63.6-38.1175.1170.80000111.9K166 G167 R168 S173 K174 F180K166-V170 WeakPolarHBondContact O-CB 3.3Å; K166-V170 VanDerWaalsContact O-CG2 3.28Å; K166-V170 WeakPolarHBondContact O-CG2 3.07Å; K166-V170 PolarHBondContact O-N 3.19Å; G167-V170 PolarHBondContact O-N 3.39Å; R168-V170 VanDerWaalsContact C-N 3.31Å; R168-V170 PolarHBondContact O-N 3.35Å; V170-S173 WeakPolarHBondContact CA-OG 3.29Å; V170-S173 PolarHBondContact O-N 2.96Å; V170-S173 PolarHBondContact O-OG 3.16Å; V170-K174 HydrophobicContact CG1-CD 3.76Å; V170-K174 VanDerWaalsContact CG1-CE 3.49Å; V170-K174 HydrophobicContact CG1-CG 3.98Å; V170-K174 WeakPolarHBondContact O-CB 3.37Å; V170-K174 VanDerWaalsContact O-CG 3.25Å; V170-K174 WeakPolarHBondContact O-CG 3.38Å; V170-K174 PolarHBondContact O-N 3.13Å; V170-F180 HydrophobicContact CG2-CD1 4.31Å; V170-F180 HydrophobicContact CG2-CE1 4.09Å
171Q64.4Low62.9Low123 Ų12372.3 Ų72.358%0.57537%0.371SS*.Hα-helixtrans-66.3-43.5175.1-76.3177.7-12.100111.9G167 R168 L169 S173 S175G167-Q171 WeakPolarHBondContact O-CG 3.35Å; G167-Q171 PolarHBondContact O-N 3Å; R168-Q171 PolarHBondContact O-N 3.03Å; L169-Q171 PolarHBondContact O-N 3.48Å; Q171-S173 VanDerWaalsContact C-N 3.29Å; Q171-S173 PolarHBondContact O-N 3.32Å; Q171-S175 PolarHBondContact O-N 3.24Å
172I59.8Low61.7Low55 Ų5579.7 Ų79.728%0.28241%0.405SS..Hα-helixtrans-62.7-40.8176.1-65.6165.7000109.7R168 L169 S175 E223R168-I172 HydrophobicContact CG-CD1 4.02Å; R168-I172 VanDerWaalsContact O-CG1 3.31Å; R168-I172 WeakPolarHBondContact O-CG1 3.44Å; R168-I172 PolarHBondContact O-N 3.4Å; L169-I172 PolarHBondContact O-N 2.74Å; I172-S175 PolarHBondContact O-OG 2.8Å; I172-E223 HydrophobicContact CD1-CG 4.42Å
173S54Low60.6Low17 Ų1782 Ų8212%0.11942%0.416CS..Hα-helixtrans-79.5-38.3-177.868.30000114.4L169 V170 Q171 S175 R176 L177 F180L169-S173 WeakPolarHBondContact O-CB 3.32Å; L169-S173 PolarHBondContact O-N 3.3Å; L169-S173 PolarHBondContact O-OG 2.95Å; V170-S173 WeakPolarHBondContact CA-OG 3.29Å; V170-S173 PolarHBondContact O-N 2.96Å; V170-S173 PolarHBondContact O-OG 3.16Å; Q171-S173 VanDerWaalsContact C-N 3.29Å; Q171-S173 PolarHBondContact O-N 3.32Å; S173-S175 PolarHBondContact O-N 3.3Å; S173-R176 CarbonylContact O-C 3.58Å; S173-R176 WeakPolarHBondContact O-CA 3.44Å; S173-R176 PolarHBondContact O-N 2.99Å; S173-L177 PolarHBondContact O-N 3Å; S173-F180 WeakPolarHBondContact OG-CD1 3.49Å
174K50.9Low60Low174 Ų17478.4 Ų78.476%0.75740%0.396SS*.Hα-helixtrans-60-26.3172.4-79.7-178.4176.6-177.10112.6V170 R176V170-K174 HydrophobicContact CG1-CD 3.76Å; V170-K174 VanDerWaalsContact CG1-CE 3.49Å; V170-K174 HydrophobicContact CG1-CG 3.98Å; V170-K174 WeakPolarHBondContact O-CB 3.37Å; V170-K174 VanDerWaalsContact O-CG 3.25Å; V170-K174 WeakPolarHBondContact O-CG 3.38Å; V170-K174 PolarHBondContact O-N 3.13Å; K174-R176 PolarHBondContact O-N 3.46Å
175S50.6Low59.7Low84 Ų8477.1 Ų77.159%0.58739%0.391SS*.THydrogen-bonded Turntrans-73.1-11.1171.475.60000113.3Q171 I172 S173Q171-S175 PolarHBondContact O-N 3.24Å; I172-S175 PolarHBondContact O-OG 2.8Å; S173-S175 PolarHBondContact O-N 3.3Å
176R52.2Low59.4Low176 Ų17679.4 Ų79.466%0.66441%0.406SS*.THydrogen-bonded Turntrans-147.4-7.3-162.3-69.6-174.7-167-153.9-1.5119.9S173 K174S173-R176 CarbonylContact O-C 3.58Å; S173-R176 WeakPolarHBondContact O-CA 3.44Å; S173-R176 PolarHBondContact O-N 2.99Å; K174-R176 PolarHBondContact O-N 3.46Å
177L44.4Very low59.7Low41 Ų4178.4 Ų78.422%0.21541%0.41CS..  trans-179.5145.8173.6-104.5161.7000116.1S173 G179 K208 T212 V214S173-L177 PolarHBondContact O-N 3Å; L177-G179 PolarHBondContact O-N 3.02Å; L177-K208 HydrophobicContact CD1-CD 4.2Å; L177-K208 HydrophobicContact CD2-CD 3.98Å; L177-T212 HydrophobicContact CD1-CG2 4.49Å; L177-T212 WeakPolarHBondContact CD1-OG1 3.27Å; L177-T212 HydrophobicContact CD2-CG2 4.43Å; L177-T212 VanDerWaalsContact CD2-OG1 3.29Å; L177-T212 WeakPolarHBondContact CD2-OG1 3.41Å; L177-T212 HydrophobicContact CG-CG2 4.12Å; L177-T212 WeakPolarHBondContact CG-OG1 3.46Å; L177-V214 HydrophobicContact CD1-CG2 3.81Å
178D44Very low60Low176 Ų17681.2 Ų81.294%0.94142%0.424SS*.SBendtrans-858.4-177.4-68.4-37000116.6
179G47.3Very low60.6Low26 Ų2679 Ų7927%0.26842%0.42SS..  trans-118.523.3-168.400000116.9L177L177-G179 PolarHBondContact O-N 3.02Å
180F52.6Low61.2Low40 Ų4079.4 Ų79.418%0.17542%0.423CS..G310 helixtrans-68.5-25-167.7-155.6-129.4000118.1L169 V170 S173 E182 F184L169-F180 HydrophobicContact CB-CE1 4.18Å; L169-F180 HydrophobicContact CB-CZ 3.9Å; V170-F180 HydrophobicContact CG2-CD1 4.31Å; V170-F180 HydrophobicContact CG2-CE1 4.09Å; S173-F180 WeakPolarHBondContact OG-CD1 3.49Å; F180-E182 VanDerWaalsContact C-N 3.26Å; F180-E182 PolarHBondContact O-N 3.29Å; F180-E182 VanDerWaalsContact O-N 3.16Å; F180-F184 AromaticContact CD1-CE1 3.27Å; F180-F184 HydrophobicContact CD1-CE1 3.27Å; F180-F184 AromaticContact CD1-CZ 3.42Å; F180-F184 HydrophobicContact CD1-CZ 3.42Å; F180-F184 VanDerWaalsContact CD1-CZ 3.42Å; F180-F184 HydrophobicContact CD2-CD1 4.36Å; F180-F184 AromaticContact CD2-CE1 3.67Å; F180-F184 HydrophobicContact CD2-CE1 3.67Å; F180-F184 HydrophobicContact CE1-CD1 4.17Å; F180-F184 AromaticContact CE1-CE1 3.02Å; F180-F184 HydrophobicContact CE1-CE1 3.02Å; F180-F184 HydrophobicContact CE1-CE2 4.12Å; F180-F184 AromaticContact CE1-CZ 2.98Å; F180-F184 HydrophobicContact CE1-CZ 2.98Å; F180-F184 AromaticContact CE2-CD1 3.92Å; F180-F184 HydrophobicContact CE2-CD1 3.92Å; F180-F184 AromaticContact CE2-CE1 3.41Å; F180-F184 HydrophobicContact CE2-CE1 3.41Å; F180-F184 VanDerWaalsContact CE2-CE1 3.41Å; F180-F184 HydrophobicContact CE2-CZ 4.23Å; F180-F184 AromaticContact CG-CE1 3.59Å; F180-F184 HydrophobicContact CG-CE1 3.59Å; F180-F184 HydrophobicContact CG-CZ 4.21Å; F180-F184 AromaticContact CZ-CD1 3.79Å; F180-F184 HydrophobicContact CZ-CD1 3.79Å; F180-F184 AromaticContact CZ-CE1 3.05Å; F180-F184 HydrophobicContact CZ-CE1 3.05Å; F180-F184 HydrophobicContact CZ-CE2 4.39Å; F180-F184 AromaticContact CZ-CZ 3.42Å; F180-F184 HydrophobicContact CZ-CZ 3.42Å; F180-F184 VanDerWaalsContact CZ-CZ 3.42Å; F180-F184 VanDerWaalsContact O-CE1 3.24Å; F180-F184 WeakPolarHBondContact O-CE1 3.4Å
181P49.3Very low61.8Low114 Ų11477.6 Ų77.674%0.7441%0.412SS*.G310 helixtrans-67.2-16.5-173.4-19.831.3000116.1
182E56.3Low62.5Low156 Ų15674.5 Ų74.573%0.72940%0.397SS*.G310 helixtrans-95.7-14.1-173.8-64.3-174.5173.700114.1F180F180-E182 VanDerWaalsContact C-N 3.26Å; F180-E182 PolarHBondContact O-N 3.29Å; F180-E182 VanDerWaalsContact O-N 3.16Å
183E61.4Low63.1Low50 Ų5072.7 Ų72.723%0.23439%0.387CS..THydrogen-bonded Turntrans-89-18.1-169.1-66.1176-159.300113.3R194 K208E183-R194 PolarHBondContact O-N 3.22Å; E183-K208 WeakPolarHBondContact OE1-CE 3.49Å; E183-K208 IonicContact OE1-NZ 3.38Å; E183-K208 PolarHBondContact OE1-NZ 3.21Å
184F65.1Low63.3Low22 Ų2278.7 Ų78.710%0.09641%0.408CS..EExtended strand (participates in β ladder)trans-156.8151.7179.466.8-72.5000112.3F180 V186 I191 Q192 F193F180-F184 AromaticContact CD1-CE1 3.27Å; F180-F184 HydrophobicContact CD1-CE1 3.27Å; F180-F184 AromaticContact CD1-CZ 3.42Å; F180-F184 HydrophobicContact CD1-CZ 3.42Å; F180-F184 VanDerWaalsContact CD1-CZ 3.42Å; F180-F184 HydrophobicContact CD2-CD1 4.36Å; F180-F184 AromaticContact CD2-CE1 3.67Å; F180-F184 HydrophobicContact CD2-CE1 3.67Å; F180-F184 HydrophobicContact CE1-CD1 4.17Å; F180-F184 AromaticContact CE1-CE1 3.02Å; F180-F184 HydrophobicContact CE1-CE1 3.02Å; F180-F184 HydrophobicContact CE1-CE2 4.12Å; F180-F184 AromaticContact CE1-CZ 2.98Å; F180-F184 HydrophobicContact CE1-CZ 2.98Å; F180-F184 AromaticContact CE2-CD1 3.92Å; F180-F184 HydrophobicContact CE2-CD1 3.92Å; F180-F184 AromaticContact CE2-CE1 3.41Å; F180-F184 HydrophobicContact CE2-CE1 3.41Å; F180-F184 VanDerWaalsContact CE2-CE1 3.41Å; F180-F184 HydrophobicContact CE2-CZ 4.23Å; F180-F184 AromaticContact CG-CE1 3.59Å; F180-F184 HydrophobicContact CG-CE1 3.59Å; F180-F184 HydrophobicContact CG-CZ 4.21Å; F180-F184 AromaticContact CZ-CD1 3.79Å; F180-F184 HydrophobicContact CZ-CD1 3.79Å; F180-F184 AromaticContact CZ-CE1 3.05Å; F180-F184 HydrophobicContact CZ-CE1 3.05Å; F180-F184 HydrophobicContact CZ-CE2 4.39Å; F180-F184 AromaticContact CZ-CZ 3.42Å; F180-F184 HydrophobicContact CZ-CZ 3.42Å; F180-F184 VanDerWaalsContact CZ-CZ 3.42Å; F180-F184 VanDerWaalsContact O-CE1 3.24Å; F180-F184 WeakPolarHBondContact O-CE1 3.4Å; F184-V186 HydrophobicContact CD2-CG2 3.52Å; F184-V186 HydrophobicContact CE2-CG2 3.33Å; F184-I191 HydrophobicContact CD2-CG2 3.97Å; F184-Q192 CarbonylContact C-O 3.51Å; F184-Q192 WeakPolarHBondContact CA-O 3.35Å; F184-Q192 VanDerWaalsContact CB-O 3.26Å; F184-Q192 WeakPolarHBondContact CB-O 3.36Å; F184-F193 HydrophobicContact CB-CB 4.23Å; F184-F193 HydrophobicContact CB-CD1 3.61Å; F184-F193 HydrophobicContact CB-CD2 4.25Å; F184-F193 HydrophobicContact CB-CE1 3.94Å; F184-F193 HydrophobicContact CB-CG 3.76Å; F184-F193 HydrophobicContact CB-CZ 4.4Å; F184-F193 HydrophobicContact CD1-CE1 4.29Å; F184-F193 HydrophobicContact CG-CD1 4.25Å; F184-F193 HydrophobicContact CG-CE1 4.1Å; F184-F193 HydrophobicContact CG-CZ 4.45Å
185E70.9Confident63.5Low90 Ų9077.1 Ų77.142%0.42140%0.402SS..EExtended strand (participates in β ladder)trans-100.1143.4171.1-62.6-176.7-153.400110.5I191 Q192 R194E185-I191 WeakPolarHBondContact O-CA 3.49Å; E185-Q192 PolarHBondContact N-O 2.97Å; E185-Q192 PolarHBondContact O-N 2.58Å; E185-R194 HydrophobicContact CG-CG 4.22Å; E185-R194 VanDerWaalsContact CG-NE 3.25Å; E185-R194 IonicContact OE1-CZ 2.79Å; E185-R194 IonicContact OE1-NE 3.69Å; E185-R194 PolarHBondContact OE1-NE 3.14Å; E185-R194 IonicContact OE1-NH2 2.8Å; E185-R194 PolarHBondContact OE1-NH2 3.08Å; E185-R194 IonicContact OE2-NH2 2.84Å
186V70.9Confident63.5Low52 Ų5276.4 Ų76.432%0.31539%0.389SS..EExtended strand (participates in β ladder)trans-125.2124.9170.8-172.20000109.4I162 K166 F184 V190 I191I162-V186 HydrophobicContact CG2-CG1 3.85Å; K166-V186 HydrophobicContact CD-CG1 4.26Å; K166-V186 HydrophobicContact CD-CG2 4.44Å; F184-V186 HydrophobicContact CD2-CG2 3.52Å; F184-V186 HydrophobicContact CE2-CG2 3.33Å; V186-V190 WeakPolarHBondContact CA-O 3.28Å; V186-I191 HydrophobicContact CG1-CG1 4.07Å; V186-I191 HydrophobicContact CG2-CG1 4.17Å; V186-I191 HydrophobicContact CG2-CG2 4.4Å
187S80.5Confident62.9Low68 Ų6874.1 Ų74.148%0.47639%0.388SS..  trans-110.6178.1164.170.30000109.6N189 V190S187-N189 PolarHBondContact O-N 3.37Å; S187-N189 VanDerWaalsContact O-N 3.09Å; S187-V190 PolarHBondContact N-O 3.07Å; S187-V190 PolarHBondContact O-N 3.24Å; S187-V190 WeakPolarHBondContact OG-CB 3.2Å; S187-V190 PolarHBondContact OG-N 3.23Å; S187-V190 PolarHBondContact OG-O 2.9Å
188S77Confident62.7Low91 Ų9178 Ų7864%0.63640%0.404SS*.SBendtrans-52.1-35.5-177.9-54.70000113.8P159P159-S188 WeakPolarHBondContact CA-O 3.29Å; P159-S188 WeakPolarHBondContact CB-O 3.5Å
189N84.9Confident62.4Low49 Ų4973.4 Ų73.426%0.26239%0.385SS..SBendtrans-122.6-4.5-171.9-65.129.1000113Y155 C156 I162 S187Y155-N189 CarbonylContact C-O 3.59Å; Y155-N189 VanDerWaalsContact CA-O 3.29Å; Y155-N189 WeakPolarHBondContact CA-O 3.42Å; Y155-N189 HydrophobicContact CD2-CB 4.07Å; Y155-N189 WeakPolarHBondContact CD2-O 3.21Å; Y155-N189 HydrophobicContact CE2-CB 3.74Å; C156-N189 PolarHBondContact N-O 3.13Å; C156-N189 WeakPolarHBondContact O-CB 3.37Å; I162-N189 WeakPolarHBondContact CD1-O 3.45Å; S187-N189 PolarHBondContact O-N 3.37Å; S187-N189 VanDerWaalsContact O-N 3.09Å
190V82.6Confident61.9Low25 Ų2580.9 Ų80.915%0.15241%0.413CS..EExtended strand (participates in β ladder)trans-133.9135.3-172.5179.10000110.7K153 V154 Y155 V186 S187 Q192K153-V190 HydrophobicContact CD-CG1 4.19Å; K153-V190 HydrophobicContact CG-CG1 3.71Å; V154-V190 CarbonylContact O-C 3.54Å; V154-V190 VanDerWaalsContact O-CA 3.29Å; V154-V190 WeakPolarHBondContact O-CA 3.25Å; Y155-V190 HydrophobicContact CD2-CG2 3.73Å; V186-V190 WeakPolarHBondContact CA-O 3.28Å; S187-V190 PolarHBondContact N-O 3.07Å; S187-V190 PolarHBondContact O-N 3.24Å; S187-V190 WeakPolarHBondContact OG-CB 3.2Å; S187-V190 PolarHBondContact OG-N 3.23Å; S187-V190 PolarHBondContact OG-O 2.9Å; V190-Q192 HydrophobicContact CG1-CB 4.2Å
191I79.6Confident61.5Low0 Ų085.2 Ų85.20%045%0.445CS..EExtended strand (participates in β ladder)trans-110.5122.5159.2-59.1172.2000107.2K153 V154 I162 V165 L169 F184 E185 V186 F193K153-I191 CarbonylContact C-O 3.54Å; K153-I191 WeakPolarHBondContact CA-O 3.23Å; V154-I191 HydrophobicContact CB-CB 4.41Å; V154-I191 PolarHBondContact N-O 3.26Å; V154-I191 PolarHBondContact O-N 3.26Å; I162-I191 HydrophobicContact CD1-CG1 4.34Å; I162-I191 HydrophobicContact CG2-CD1 4.11Å; I162-I191 HydrophobicContact CG2-CG1 3.85Å; V165-I191 HydrophobicContact CB-CD1 3.63Å; V165-I191 HydrophobicContact CG1-CD1 3.44Å; V165-I191 VanDerWaalsContact CG1-CD1 3.44Å; L169-I191 HydrophobicContact CD1-CD1 4.37Å; L169-I191 HydrophobicContact CD1-CG2 4.41Å; F184-I191 HydrophobicContact CD2-CG2 3.97Å; E185-I191 WeakPolarHBondContact O-CA 3.49Å; V186-I191 HydrophobicContact CG1-CG1 4.07Å; V186-I191 HydrophobicContact CG2-CG1 4.17Å; V186-I191 HydrophobicContact CG2-CG2 4.4Å; I191-F193 HydrophobicContact CG2-CD2 4.07Å; I191-F193 HydrophobicContact CG2-CE2 3.44Å; I191-F193 VanDerWaalsContact CG2-CE2 3.44Å; I191-F193 HydrophobicContact CG2-CZ 4.04Å
192Q77.2Confident61.2Low58 Ų5882.1 Ų82.127%0.27143%0.434SS..EExtended strand (participates in β ladder)trans-126.7128.9178.7-179.8174-3.800110.2Q150 F184 E185 V190Q150-Q192 PolarHBondContact O-NE2 2.93Å; F184-Q192 CarbonylContact C-O 3.51Å; F184-Q192 WeakPolarHBondContact CA-O 3.35Å; F184-Q192 VanDerWaalsContact CB-O 3.26Å; F184-Q192 WeakPolarHBondContact CB-O 3.36Å; E185-Q192 PolarHBondContact N-O 2.97Å; E185-Q192 PolarHBondContact O-N 2.58Å; V190-Q192 HydrophobicContact CG1-CB 4.2Å
193F72.5Confident60.2Low18 Ų1879.4 Ų79.48%0.07943%0.433CS..EExtended strand (participates in β ladder)trans-97.1125.9-179.7-70.9-103.7000109.9F152 L169 F184 I191 F196 L220F152-F193 HydrophobicContact CB-CB 4.39Å; F152-F193 HydrophobicContact CB-CD2 4.13Å; F152-F193 AromaticContact CD1-CD2 3.58Å; F152-F193 HydrophobicContact CD1-CD2 3.58Å; F152-F193 AromaticContact CD1-CE2 3.6Å; F152-F193 HydrophobicContact CD1-CE2 3.6Å; F152-F193 HydrophobicContact CE1-CE2 4.11Å; F152-F193 HydrophobicContact CG-CD2 4.36Å; F152-F193 PolarHBondContact O-N 3.45Å; L169-F193 HydrophobicContact CD1-CZ 3.77Å; L169-F193 HydrophobicContact CD2-CZ 4.29Å; F184-F193 HydrophobicContact CB-CB 4.23Å; F184-F193 HydrophobicContact CB-CD1 3.61Å; F184-F193 HydrophobicContact CB-CD2 4.25Å; F184-F193 HydrophobicContact CB-CE1 3.94Å; F184-F193 HydrophobicContact CB-CG 3.76Å; F184-F193 HydrophobicContact CB-CZ 4.4Å; F184-F193 HydrophobicContact CD1-CE1 4.29Å; F184-F193 HydrophobicContact CG-CD1 4.25Å; F184-F193 HydrophobicContact CG-CE1 4.1Å; F184-F193 HydrophobicContact CG-CZ 4.45Å; I191-F193 HydrophobicContact CG2-CD2 4.07Å; I191-F193 HydrophobicContact CG2-CE2 3.44Å; I191-F193 VanDerWaalsContact CG2-CE2 3.44Å; I191-F193 HydrophobicContact CG2-CZ 4.04Å; F193-F196 HydrophobicContact CB-CD2 4.07Å; F193-F196 HydrophobicContact CB-CE2 3.13Å; F193-F196 HydrophobicContact CB-CZ 3.48Å; F193-F196 VanDerWaalsContact CB-CZ 3.48Å; F193-F196 HydrophobicContact CD1-CE2 4.35Å; F193-F196 AromaticContact CD1-CZ 3.78Å; F193-F196 HydrophobicContact CD1-CZ 3.78Å; F193-F196 HydrophobicContact CD2-CZ 4.42Å; F193-F196 AromaticContact CG-CE2 3.81Å; F193-F196 HydrophobicContact CG-CE2 3.81Å; F193-F196 AromaticContact CG-CZ 3.65Å; F193-F196 HydrophobicContact CG-CZ 3.65Å; F193-L220 HydrophobicContact CD1-CD2 4.23Å; F193-L220 HydrophobicContact CD2-CD2 4.18Å; F193-L220 HydrophobicContact CE1-CD2 3.72Å; F193-L220 HydrophobicContact CE2-CD2 3.65Å; F193-L220 HydrophobicContact CG-CD2 4.45Å; F193-L220 HydrophobicContact CZ-CD1 4.1Å; F193-L220 HydrophobicContact CZ-CD2 3.4Å; F193-L220 VanDerWaalsContact CZ-CD2 3.4Å; F193-L220 HydrophobicContact CZ-CG 4.34Å
194R59.8Low59.4Low143 Ų14381 Ų8154%0.5444%0.436SS..SBendtrans-78.7-32.6-168.6-74.3-177.3171174.31113.8E183 E185E183-R194 PolarHBondContact O-N 3.22Å; E185-R194 HydrophobicContact CG-CG 4.22Å; E185-R194 VanDerWaalsContact CG-NE 3.25Å; E185-R194 IonicContact OE1-CZ 2.79Å; E185-R194 IonicContact OE1-NE 3.69Å; E185-R194 PolarHBondContact OE1-NE 3.14Å; E185-R194 IonicContact OE1-NH2 2.8Å; E185-R194 PolarHBondContact OE1-NH2 3.08Å; E185-R194 IonicContact OE2-NH2 2.84Å
195H53.5Low58.1Low140 Ų14084.9 Ų84.965%0.64846%0.458SS*.  trans-132.9111.4-173.8-60.2102.7000111.2
196F52.1Low56.7Low69 Ų6984.1 Ų84.130%0.30346%0.459SS..  trans-125.1121.1160.3-69.1-76.3000109.6F152 F193 K198 L217 L220F152-F196 HydrophobicContact CB-CD2 4.31Å; F152-F196 HydrophobicContact CB-CE2 3.36Å; F152-F196 HydrophobicContact CB-CZ 3.84Å; F193-F196 HydrophobicContact CB-CD2 4.07Å; F193-F196 HydrophobicContact CB-CE2 3.13Å; F193-F196 HydrophobicContact CB-CZ 3.48Å; F193-F196 VanDerWaalsContact CB-CZ 3.48Å; F193-F196 HydrophobicContact CD1-CE2 4.35Å; F193-F196 AromaticContact CD1-CZ 3.78Å; F193-F196 HydrophobicContact CD1-CZ 3.78Å; F193-F196 HydrophobicContact CD2-CZ 4.42Å; F193-F196 AromaticContact CG-CE2 3.81Å; F193-F196 HydrophobicContact CG-CE2 3.81Å; F193-F196 AromaticContact CG-CZ 3.65Å; F193-F196 HydrophobicContact CG-CZ 3.65Å; F196-K198 PolarHBondContact O-N 2.78Å; F196-L217 HydrophobicContact CE1-CD1 4.47Å; F196-L217 HydrophobicContact CE2-CD1 4.15Å; F196-L217 HydrophobicContact CZ-CD1 4.13Å; F196-L220 HydrophobicContact CZ-CD2 4.21Å
197I40Very low55Low128 Ų12886.9 Ų86.966%0.65647%0.472SS*.  trans-82.5103.2165.4-55.7178.6000106.2S199 V206I197-S199 PolarHBondContact O-N 3.44Å; I197-V206 HydrophobicContact CD1-CG2 4.17Å; I197-V206 HydrophobicContact CG1-CG2 4.28Å
198K39.2Very low53.3Low123 Ų12386.3 Ų86.354%0.53546%0.46SS..  trans-86.599.2175-153.7169.7-167.1161.10107.3D146 F196D146-K198 IonicContact OD1-NZ 3Å; D146-K198 PolarHBondContact OD1-NZ 3.38Å; D146-K198 IonicContact OD2-NZ 3.67Å; D146-K198 PolarHBondContact OD2-NZ 2.66Å; F196-K198 PolarHBondContact O-N 2.78Å
199S37.1Very low51.6Low80 Ų8092 Ų9256%0.55948%0.477SS*.PPolyproline II helixtrans-93.5140165.473.40000110I197I197-S199 PolarHBondContact O-N 3.44Å
200E36.9Very low49.8Very low183 Ų18394.3 Ų94.386%0.85549%0.489SS*.THydrogen-bonded Turntrans-75.4158.3168.6-67.6-169.2161.700111.8
201P44.7Very low47.6Very low130 Ų13096.9 Ų96.984%0.84451%0.509SS*.THydrogen-bonded Turncis-101.2117.1-45.332.6-18.7000109.3
202G42.2Very low45.9Very low49 Ų4999.1 Ų99.151%0.50552%0.522SS..SBendtrans101.5119.516800000114.3
203S36.2Very low44.2Very low100 Ų100104.1 Ų104.170%0.69954%0.543SS*.  trans97.8123.2160.5-38.30000117.5
204R44.5Very low43.2Very low82 Ų82105.3 Ų105.331%0.30955%0.552SS.*  trans-27.6132.9165-86.1140.8-142.7-116.5-27.6112.1V214 C215 T216 C219R204-V214 WeakPolarHBondContact CD-O 3.46Å; R204-V214 VanDerWaalsContact CG-O 3.27Å; R204-V214 WeakPolarHBondContact CG-O 3.48Å; R204-C215 VanDerWaalsContact CD-C 3.49Å; R204-C215 WeakPolarHBondContact CG-O 3.25Å; R204-C215 VanDerWaalsContact CZ-C 3.46Å; R204-C215 VanDerWaalsContact CZ-CA 3.46Å; R204-C215 VanDerWaalsContact CZ-SG 3.51Å; R204-C215 PolarHBondContact NH1-SG 2.8Å; R204-C215 PolarHBondContact NH2-SG 2.87Å; R204-T216 HydrophobicContact CB-CG2 3.76Å; R204-T216 VanDerWaalsContact CD-CG2 3.42Å; R204-T216 VanDerWaalsContact CG-CB 3.42Å; R204-T216 HydrophobicContact CG-CG2 3.13Å; R204-T216 VanDerWaalsContact CZ-CA 3.48Å; R204-T216 PolarHBondContact NE-OG1 2.83Å; R204-T216 VanDerWaalsContact NH2-CA 3.33Å; R204-T216 PolarHBondContact NH2-O 3.38Å; R204-T216 PolarHBondContact NH2-OG1 2.86Å; R204-C219 VanDerWaalsContact CZ-SG 3.55Å; R204-C219 PolarHBondContact NH2-SG 2.8Å
205L37.2Very low43.2Very low105 Ų105100.9 Ų100.955%0.5554%0.542SS..  trans-159.9112.2137.4-73.8-175.4000110.8L207 F213L205-L207 HydrophobicContact CD1-CD1 3.97Å; L205-F213 HydrophobicContact CD2-CD1 4.43Å; L205-F213 HydrophobicContact CD2-CE1 4.42Å
206V41.4Very low43.7Very low73 Ų7394.9 Ų94.944%0.44252%0.516SS..  trans-110.5102.5140.4-179.50000104.8I197 K208I197-V206 HydrophobicContact CD1-CG2 4.17Å; I197-V206 HydrophobicContact CG1-CG2 4.28Å; V206-K208 PolarHBondContact O-N 2.71Å
207L36.5Very low44.4Very low111 Ų11192.7 Ų92.758%0.58151%0.507SS*.  trans-69.5113.1167.5-89.4134.8000107.3L205L205-L207 HydrophobicContact CD1-CD1 3.97Å
208K44.1Very low45.9Very low55 Ų5591.2 Ų91.224%0.23950%0.497CS..  trans-65.1155.2155.3-77.6-175.2-177.8175.30108L177 E183 V206 D210 S211L177-K208 HydrophobicContact CD1-CD 4.2Å; L177-K208 HydrophobicContact CD2-CD 3.98Å; E183-K208 WeakPolarHBondContact OE1-CE 3.49Å; E183-K208 IonicContact OE1-NZ 3.38Å; E183-K208 PolarHBondContact OE1-NZ 3.21Å; V206-K208 PolarHBondContact O-N 2.71Å; K208-D210 WeakPolarHBondContact CB-OD1 3.48Å; K208-D210 PolarHBondContact O-N 3.4Å; K208-S211 PolarHBondContact O-N 3.16Å
209Q42.5Very low47.4Very low211 Ų21188.3 Ų88.399%0.98649%0.492SS*.THydrogen-bonded Turntrans-54.8-16.8179.7-77.5-178.7-18.300113.2
210D46Very low49.2Very low97 Ų9785 Ų8552%0.51947%0.467SS..THydrogen-bonded Turntrans-96.67.9179.467.1-0.4000115K208 T212K208-D210 WeakPolarHBondContact CB-OD1 3.48Å; K208-D210 PolarHBondContact O-N 3.4Å; D210-T212 PolarHBondContact O-N 3.31Å; D210-T212 PolarHBondContact OD1-N 3.06Å; D210-T212 PolarHBondContact OD1-OG1 2.97Å; D210-T212 PolarHBondContact OD2-OG1 2.84Å
211S37.3Very low51.1Low80 Ų8076.3 Ų76.356%0.55943%0.427SS*.  trans64.226.5175.3-53.20000117.1K208K208-S211 PolarHBondContact O-N 3.16Å
212T42.8Very low52.8Low46 Ų4674.1 Ų74.128%0.28241%0.408SS..PPolyproline II helixtrans-87.5136.6173.636.40000113.2L177 D210L177-T212 HydrophobicContact CD1-CG2 4.49Å; L177-T212 WeakPolarHBondContact CD1-OG1 3.27Å; L177-T212 HydrophobicContact CD2-CG2 4.43Å; L177-T212 VanDerWaalsContact CD2-OG1 3.29Å; L177-T212 WeakPolarHBondContact CD2-OG1 3.41Å; L177-T212 HydrophobicContact CG-CG2 4.12Å; L177-T212 WeakPolarHBondContact CG-OG1 3.46Å; D210-T212 PolarHBondContact O-N 3.31Å; D210-T212 PolarHBondContact OD1-N 3.06Å; D210-T212 PolarHBondContact OD1-OG1 2.97Å; D210-T212 PolarHBondContact OD2-OG1 2.84Å
213F42.5Very low54.5Low164 Ų16474.6 Ų74.672%0.71940%0.397SS*.PPolyproline II helixtrans-85117.1-174-67.8-93.6000112.7L205L205-F213 HydrophobicContact CD2-CD1 4.43Å; L205-F213 HydrophobicContact CD2-CE1 4.42Å
214V51.7Low56.6Low42 Ų4269.9 Ų69.926%0.25536%0.364SS..PPolyproline II helixtrans-94.6158.6174.9-175.90000111.4L177 R204L177-V214 HydrophobicContact CD1-CG2 3.81Å; R204-V214 WeakPolarHBondContact CD-O 3.46Å; R204-V214 VanDerWaalsContact CG-O 3.27Å; R204-V214 WeakPolarHBondContact CG-O 3.48Å
215C58.1Low58.5Low50 Ų5066.5 Ų66.534%0.33835%0.352SS..PPolyproline II helixtrans-66.2158.7-176-156.80000114.4R204R204-C215 VanDerWaalsContact CD-C 3.49Å; R204-C215 WeakPolarHBondContact CG-O 3.25Å; R204-C215 VanDerWaalsContact CZ-C 3.46Å; R204-C215 VanDerWaalsContact CZ-CA 3.46Å; R204-C215 VanDerWaalsContact CZ-SG 3.51Å; R204-C215 PolarHBondContact NH1-SG 2.8Å; R204-C215 PolarHBondContact NH2-SG 2.87Å
216T64.3Low60.7Low15 Ų1565.7 Ų65.79%0.09235%0.347CS..PPolyproline II helixtrans-102.3140.9-17846.90000100.6R204 E218 C219 L220R204-T216 HydrophobicContact CB-CG2 3.76Å; R204-T216 VanDerWaalsContact CD-CG2 3.42Å; R204-T216 VanDerWaalsContact CG-CB 3.42Å; R204-T216 HydrophobicContact CG-CG2 3.13Å; R204-T216 VanDerWaalsContact CZ-CA 3.48Å; R204-T216 PolarHBondContact NE-OG1 2.83Å; R204-T216 VanDerWaalsContact NH2-CA 3.33Å; R204-T216 PolarHBondContact NH2-O 3.38Å; R204-T216 PolarHBondContact NH2-OG1 2.86Å; T216-E218 PolarHBondContact O-N 2.97Å; T216-E218 PolarHBondContact OG1-N 2.7Å; T216-C219 PolarHBondContact O-N 2.79Å; T216-C219 PolarHBondContact OG1-N 2.83Å; T216-C219 PolarHBondContact OG1-SG 2.91Å; T216-C219 VanDerWaalsContact OG1-SG 3.34Å; T216-L220 VanDerWaalsContact O-CB 3.3Å; T216-L220 WeakPolarHBondContact O-CB 3.49Å; T216-L220 PolarHBondContact O-N 2.89Å
217L67.4Low62.6Low23 Ų2364 Ų6412%0.1234%0.335CS..Hα-helixtrans-37.8-49.6159.2-165.653.3000113.4D146 F152 F196 L220 K221D146-L217 WeakPolarHBondContact OD1-CD2 3.28Å; D146-L217 VanDerWaalsContact OD2-CD2 3.31Å; D146-L217 WeakPolarHBondContact OD2-CD2 3.31Å; F152-L217 HydrophobicContact CB-CD1 3.41Å; F152-L217 VanDerWaalsContact CB-CD1 3.41Å; F152-L217 HydrophobicContact CD2-CD1 3.46Å; F152-L217 VanDerWaalsContact CD2-CD1 3.46Å; F152-L217 HydrophobicContact CE2-CD1 4.41Å; F152-L217 HydrophobicContact CG-CD1 3.62Å; F196-L217 HydrophobicContact CE1-CD1 4.47Å; F196-L217 HydrophobicContact CE2-CD1 4.15Å; F196-L217 HydrophobicContact CZ-CD1 4.13Å; L217-L220 PolarHBondContact O-N 3.13Å; L217-K221 WeakPolarHBondContact O-CB 3.4Å; L217-K221 PolarHBondContact O-N 2.78Å
218E71.2Confident64.9Low97 Ų9758.8 Ų58.845%0.45331%0.308SS..Hα-helixtrans-63-50.6-178.1-63.9179.815800114.1T216 L220 K221 L222 V247T216-E218 PolarHBondContact O-N 2.97Å; T216-E218 PolarHBondContact OG1-N 2.7Å; E218-L220 VanDerWaalsContact C-N 3.35Å; E218-K221 PolarHBondContact O-N 3.28Å; E218-L222 WeakPolarHBondContact O-CB 3.35Å; E218-L222 PolarHBondContact O-N 2.86Å; E218-V247 HydrophobicContact CB-CB 4.26Å; E218-V247 HydrophobicContact CB-CG1 4.43Å; E218-V247 HydrophobicContact CG-CB 4.33Å; E218-V247 HydrophobicContact CG-CG2 4.5Å
219C71.8Confident66.7Low62 Ų6260.3 Ų60.342%0.41932%0.318SS..Hα-helixtrans-76.4-24179-270000112.6R204 T216 E223R204-C219 VanDerWaalsContact CZ-SG 3.55Å; R204-C219 PolarHBondContact NH2-SG 2.8Å; T216-C219 PolarHBondContact O-N 2.79Å; T216-C219 PolarHBondContact OG1-N 2.83Å; T216-C219 PolarHBondContact OG1-SG 2.91Å; T216-C219 VanDerWaalsContact OG1-SG 3.34Å; C219-E223 VanDerWaalsContact O-CB 3.29Å; C219-E223 WeakPolarHBondContact O-CB 3.33Å; C219-E223 PolarHBondContact O-N 2.76Å
220L73.9Confident68.6Low9 Ų958.4 Ų58.45%0.04731%0.306CS..Hα-helixtrans-65.5-44.2170.4176.162.9000110.9F152 L169 F193 F196 T216 L217 E218 E223 T224F152-L220 HydrophobicContact CD1-CD2 3.45Å; F152-L220 VanDerWaalsContact CD1-CD2 3.45Å; F152-L220 HydrophobicContact CD1-CG 4.02Å; F152-L220 HydrophobicContact CE1-CD1 4.47Å; F152-L220 HydrophobicContact CE1-CD2 3.58Å; F152-L220 HydrophobicContact CE1-CG 3.6Å; F152-L220 HydrophobicContact CG-CD2 4.24Å; F152-L220 HydrophobicContact CZ-CD2 4.46Å; F152-L220 HydrophobicContact CZ-CG 4.17Å; L169-L220 HydrophobicContact CD2-CD1 3.28Å; L169-L220 HydrophobicContact CG-CD1 4.4Å; F193-L220 HydrophobicContact CD1-CD2 4.23Å; F193-L220 HydrophobicContact CD2-CD2 4.18Å; F193-L220 HydrophobicContact CE1-CD2 3.72Å; F193-L220 HydrophobicContact CE2-CD2 3.65Å; F193-L220 HydrophobicContact CG-CD2 4.45Å; F193-L220 HydrophobicContact CZ-CD1 4.1Å; F193-L220 HydrophobicContact CZ-CD2 3.4Å; F193-L220 VanDerWaalsContact CZ-CD2 3.4Å; F193-L220 HydrophobicContact CZ-CG 4.34Å; F196-L220 HydrophobicContact CZ-CD2 4.21Å; T216-L220 VanDerWaalsContact O-CB 3.3Å; T216-L220 WeakPolarHBondContact O-CB 3.49Å; T216-L220 PolarHBondContact O-N 2.89Å; L217-L220 PolarHBondContact O-N 3.13Å; E218-L220 VanDerWaalsContact C-N 3.35Å; L220-E223 PolarHBondContact O-N 2.86Å; L220-T224 WeakPolarHBondContact O-CB 3.3Å; L220-T224 PolarHBondContact O-N 3.03Å; L220-T224 PolarHBondContact O-OG1 2.69Å
221K77.6Confident70.1Confident1 Ų154.6 Ų54.60%0.00429%0.289CS..Hα-helixtrans-63.1-47174.5-174.4170.2-178.6177.50111.4V144 F152 L217 E218 E223 T224 V225 V247 A249 L252V144-K221 HydrophobicContact CG1-CG 4.19Å; F152-K221 HydrophobicContact CE2-CB 3.8Å; F152-K221 HydrophobicContact CE2-CD 4.34Å; F152-K221 HydrophobicContact CE2-CG 4.03Å; F152-K221 HydrophobicContact CZ-CB 4.18Å; L217-K221 WeakPolarHBondContact O-CB 3.4Å; L217-K221 PolarHBondContact O-N 2.78Å; E218-K221 PolarHBondContact O-N 3.28Å; K221-E223 PolarHBondContact O-N 3.35Å; K221-T224 WeakPolarHBondContact O-CB 3.38Å; K221-T224 PolarHBondContact O-N 3.08Å; K221-V225 VanDerWaalsContact O-CG2 3.28Å; K221-V225 WeakPolarHBondContact O-CG2 3.3Å; K221-V225 PolarHBondContact O-N 3.12Å; K221-V247 PolarHBondContact NZ-O 3.43Å; K221-A249 PolarHBondContact NZ-O 3.12Å; K221-L252 HydrophobicContact CG-CD1 4.4Å
222L78.9Confident72.3Confident84 Ų8452.9 Ų52.944%0.4428%0.284SS..Hα-helixtrans-59.5-45.5175.2-174.365.7000111.9E218 T224 V225 M226 V247E218-L222 WeakPolarHBondContact O-CB 3.35Å; E218-L222 PolarHBondContact O-N 2.86Å; L222-T224 VanDerWaalsContact C-N 3.3Å; L222-T224 PolarHBondContact O-N 2.97Å; L222-V225 PolarHBondContact O-N 3.31Å; L222-M226 HydrophobicContact CG-CG 4.5Å; L222-M226 WeakPolarHBondContact O-CB 3.31Å; L222-M226 VanDerWaalsContact O-CG 3.25Å; L222-M226 WeakPolarHBondContact O-CG 3.24Å; L222-M226 PolarHBondContact O-N 2.88Å; L222-V247 HydrophobicContact CB-CG1 4.18Å
223E78.1Confident74.2Confident59 Ų5950.9 Ų50.928%0.27627%0.271SS..Hα-helixtrans-61.1-41.4176.6-172.275.7173.200110.9R168 I172 C219 L220 K221 M226 L227R168-E223 HydrophobicContact CG-CG 4.48Å; R168-E223 IonicContact CZ-OE1 3.08Å; R168-E223 IonicContact NE-OE1 3.99Å; R168-E223 PolarHBondContact NE-OE1 3.25Å; R168-E223 IonicContact NH2-OE1 2.78Å; R168-E223 PolarHBondContact NH2-OE1 3.15Å; I172-E223 HydrophobicContact CD1-CG 4.42Å; C219-E223 VanDerWaalsContact O-CB 3.29Å; C219-E223 WeakPolarHBondContact O-CB 3.33Å; C219-E223 PolarHBondContact O-N 2.76Å; L220-E223 PolarHBondContact O-N 2.86Å; K221-E223 PolarHBondContact O-N 3.35Å; E223-M226 PolarHBondContact O-N 3.25Å; E223-L227 HydrophobicContact CG-CD1 4.35Å; E223-L227 WeakPolarHBondContact O-CB 3.32Å; E223-L227 VanDerWaalsContact O-CG 3.28Å; E223-L227 WeakPolarHBondContact O-CG 3.44Å; E223-L227 PolarHBondContact O-N 3.41Å
224T81Confident76.3Confident2 Ų246.6 Ų46.61%0.01226%0.261CS..Hα-helixtrans-62.5-44.6176.6-550000111.3V144 V154 L220 K221 L222 L227 A228V144-T224 HydrophobicContact CG2-CG2 3.83Å; V154-T224 HydrophobicContact CG1-CG2 3.91Å; V154-T224 HydrophobicContact CG2-CG2 3.88Å; L220-T224 WeakPolarHBondContact O-CB 3.3Å; L220-T224 PolarHBondContact O-N 3.03Å; L220-T224 PolarHBondContact O-OG1 2.69Å; K221-T224 WeakPolarHBondContact O-CB 3.38Å; K221-T224 PolarHBondContact O-N 3.08Å; L222-T224 VanDerWaalsContact C-N 3.3Å; L222-T224 PolarHBondContact O-N 2.97Å; T224-L227 PolarHBondContact O-N 3.25Å; T224-A228 WeakPolarHBondContact O-CB 3.35Å; T224-A228 PolarHBondContact O-N 2.94Å
225V84.2Confident77.9Confident11 Ų1147.7 Ų47.77%0.06727%0.265CS..Hα-helixtrans-61.3-46.1174.9173.30000110.8K221 L222 L227 A228 L229 V246 L252 F254K221-V225 VanDerWaalsContact O-CG2 3.28Å; K221-V225 WeakPolarHBondContact O-CG2 3.3Å; K221-V225 PolarHBondContact O-N 3.12Å; L222-V225 PolarHBondContact O-N 3.31Å; V225-L227 VanDerWaalsContact C-N 3.33Å; V225-L227 PolarHBondContact O-N 2.95Å; V225-A228 WeakPolarHBondContact O-CB 3.44Å; V225-A228 PolarHBondContact O-N 3.04Å; V225-L229 HydrophobicContact CG1-CD1 4.1Å; V225-L229 HydrophobicContact CG1-CG 4.48Å; V225-L229 WeakPolarHBondContact O-CG 3.1Å; V225-L229 PolarHBondContact O-N 3Å; V225-V246 HydrophobicContact CG2-CG1 4.15Å; V225-L252 HydrophobicContact CG2-CD1 3.64Å; V225-F254 HydrophobicContact CB-CZ 4.42Å; V225-F254 HydrophobicContact CG1-CE1 4.32Å; V225-F254 HydrophobicContact CG1-CZ 4.11Å; V225-F254 HydrophobicContact CG2-CZ 3.96Å
226M84Confident79.1Confident88 Ų8850 Ų5043%0.43327%0.273SS..Hα-helixtrans-63.5-38.1178.3-69.8-63.4-69.200112.2L222 E223 K230L222-M226 HydrophobicContact CG-CG 4.5Å; L222-M226 WeakPolarHBondContact O-CB 3.31Å; L222-M226 VanDerWaalsContact O-CG 3.25Å; L222-M226 WeakPolarHBondContact O-CG 3.24Å; L222-M226 PolarHBondContact O-N 2.88Å; E223-M226 PolarHBondContact O-N 3.25Å; M226-K230 WeakPolarHBondContact O-CB 3.37Å; M226-K230 VanDerWaalsContact O-CG 3.3Å; M226-K230 WeakPolarHBondContact O-CG 3.43Å; M226-K230 PolarHBondContact O-N 2.89Å
227L81.4Confident79.5Confident38 Ų3851.2 Ų51.220%0.19928%0.28CS..Hα-helixtrans-65.5-41.9173.6-75.2171.8000111.7F161 V165 R168 E223 T224 V225 K230 A231F161-L227 HydrophobicContact CE2-CB 4.22Å; F161-L227 HydrophobicContact CZ-CB 4.29Å; V165-L227 HydrophobicContact CG2-CD1 4.14Å; R168-L227 HydrophobicContact CB-CD1 4.15Å; R168-L227 HydrophobicContact CG-CD1 4.08Å; E223-L227 HydrophobicContact CG-CD1 4.35Å; E223-L227 WeakPolarHBondContact O-CB 3.32Å; E223-L227 VanDerWaalsContact O-CG 3.28Å; E223-L227 WeakPolarHBondContact O-CG 3.44Å; E223-L227 PolarHBondContact O-N 3.41Å; T224-L227 PolarHBondContact O-N 3.25Å; V225-L227 VanDerWaalsContact C-N 3.33Å; V225-L227 PolarHBondContact O-N 2.95Å; L227-K230 PolarHBondContact O-N 3.22Å; L227-A231 VanDerWaalsContact O-CB 3.22Å; L227-A231 WeakPolarHBondContact O-CB 3.16Å; L227-A231 PolarHBondContact O-N 2.88Å
228A83.2Confident79.1Confident0 Ų055.2 Ų55.20%031%0.31CS..Hα-helixtrans-59.6-51.917700000111L142 F161 T224 V225 K230 A231 G232 F233 F254L142-A228 HydrophobicContact CD2-CB 3.31Å; F161-A228 HydrophobicContact CE2-CB 4.38Å; F161-A228 HydrophobicContact CZ-CB 4.03Å; T224-A228 WeakPolarHBondContact O-CB 3.35Å; T224-A228 PolarHBondContact O-N 2.94Å; V225-A228 WeakPolarHBondContact O-CB 3.44Å; V225-A228 PolarHBondContact O-N 3.04Å; A228-K230 PolarHBondContact O-N 3.08Å; A228-A231 CarbonylContact O-C 3.53Å; A228-A231 WeakPolarHBondContact O-CA 3.46Å; A228-A231 WeakPolarHBondContact O-CB 3.42Å; A228-A231 PolarHBondContact O-N 2.71Å; A228-G232 PolarHBondContact O-N 2.87Å; A228-F233 HydrophobicContact CB-CB 4.06Å; A228-F233 HydrophobicContact CB-CG 4.43Å; A228-F233 WeakPolarHBondContact O-CB 3.14Å; A228-F233 WeakPolarHBondContact O-CD2 3.5Å; A228-F233 PolarHBondContact O-N 2.82Å; A228-F254 HydrophobicContact CB-CD1 4.3Å; A228-F254 HydrophobicContact CB-CE1 4.39Å
229L83Confident78.7Confident88 Ų8854.5 Ų54.546%0.46131%0.309SS..Hα-helixtrans-59.7-44.9178.4-65.4173.1000111.7V225 A231 G232V225-L229 HydrophobicContact CG1-CD1 4.1Å; V225-L229 HydrophobicContact CG1-CG 4.48Å; V225-L229 WeakPolarHBondContact O-CG 3.1Å; V225-L229 PolarHBondContact O-N 3Å; L229-A231 PolarHBondContact O-N 2.99Å; L229-G232 PolarHBondContact O-N 3.11Å
230K81.4Confident77.7Confident170 Ų17055.8 Ų55.874%0.73931%0.312SS*.Hα-helixtrans-63.5-28.9174.7-76.8177.9179.7178.70113.1M226 L227 A228 G232M226-K230 WeakPolarHBondContact O-CB 3.37Å; M226-K230 VanDerWaalsContact O-CG 3.3Å; M226-K230 WeakPolarHBondContact O-CG 3.43Å; M226-K230 PolarHBondContact O-N 2.89Å; L227-K230 PolarHBondContact O-N 3.22Å; A228-K230 PolarHBondContact O-N 3.08Å; K230-G232 PolarHBondContact O-N 2.72Å
231A78.8Confident76.7Confident18 Ų1860.5 Ų60.515%0.14935%0.345CS..THydrogen-bonded Turntrans-81.90.5176.200000112.9F161 L227 A228 L229 F233 K256F161-A231 HydrophobicContact CD2-CB 3.97Å; F161-A231 HydrophobicContact CE2-CB 4Å; L227-A231 VanDerWaalsContact O-CB 3.22Å; L227-A231 WeakPolarHBondContact O-CB 3.16Å; L227-A231 PolarHBondContact O-N 2.88Å; A228-A231 CarbonylContact O-C 3.53Å; A228-A231 WeakPolarHBondContact O-CA 3.46Å; A228-A231 WeakPolarHBondContact O-CB 3.42Å; A228-A231 PolarHBondContact O-N 2.71Å; L229-A231 PolarHBondContact O-N 2.99Å; A231-F233 HydrophobicContact CB-CD2 3.96Å; A231-F233 HydrophobicContact CB-CE2 4.18Å; A231-K256 VanDerWaalsContact O-CD 3.3Å; A231-K256 WeakPolarHBondContact O-CD 3.48Å; A231-K256 WeakPolarHBondContact O-CE 3.29Å; A231-K256 PolarHBondContact O-NZ 3.04Å
232G82.3Confident75.5Confident44 Ų4464.9 Ų64.945%0.45438%0.376SS..THydrogen-bonded Turntrans90.58.8177.400000114.7A228 L229 K230A228-G232 PolarHBondContact O-N 2.87Å; L229-G232 PolarHBondContact O-N 3.11Å; K230-G232 PolarHBondContact O-N 2.72Å
233F83.8Confident74.2Confident4 Ų469 Ų692%0.01839%0.391CS..  trans-74140.8173.2-73.4-98.8000110.8A140 L142 F161 A228 A231 F254 V255 K256A140-F233 HydrophobicContact CB-CE1 3.76Å; A140-F233 HydrophobicContact CB-CZ 3.74Å; A140-F233 WeakPolarHBondContact O-CE1 3.43Å; L142-F233 HydrophobicContact CB-CD1 3.82Å; L142-F233 HydrophobicContact CB-CE1 3.66Å; L142-F233 HydrophobicContact CB-CZ 4.38Å; L142-F233 HydrophobicContact CD2-CD1 4.33Å; L142-F233 HydrophobicContact CD2-CG 4.39Å; F161-F233 AromaticContact CD2-CE2 3.93Å; F161-F233 HydrophobicContact CD2-CE2 3.93Å; F161-F233 HydrophobicContact CE2-CE2 4.37Å; F161-F233 HydrophobicContact CG-CE2 4.21Å; A228-F233 HydrophobicContact CB-CB 4.06Å; A228-F233 HydrophobicContact CB-CG 4.43Å; A228-F233 WeakPolarHBondContact O-CB 3.14Å; A228-F233 WeakPolarHBondContact O-CD2 3.5Å; A228-F233 PolarHBondContact O-N 2.82Å; A231-F233 HydrophobicContact CB-CD2 3.96Å; A231-F233 HydrophobicContact CB-CE2 4.18Å; F233-F254 HydrophobicContact CB-CB 3.9Å; F233-F254 HydrophobicContact CB-CD1 4.35Å; F233-F254 HydrophobicContact CB-CG 4.46Å; F233-F254 HydrophobicContact CD1-CB 3.96Å; F233-F254 HydrophobicContact CG-CB 4.35Å; F233-V255 CarbonylContact C-O 3.6Å; F233-V255 WeakPolarHBondContact CA-O 3.3Å; F233-K256 HydrophobicContact CB-CB 4.4Å; F233-K256 HydrophobicContact CD1-CB 3.55Å; F233-K256 HydrophobicContact CD2-CB 4.03Å; F233-K256 HydrophobicContact CD2-CD 3.88Å; F233-K256 HydrophobicContact CE1-CB 3.69Å; F233-K256 HydrophobicContact CE2-CB 4.16Å; F233-K256 HydrophobicContact CE2-CD 3.71Å; F233-K256 HydrophobicContact CG-CB 3.73Å; F233-K256 HydrophobicContact CG-CD 4.42Å; F233-K256 HydrophobicContact CZ-CB 3.99Å; F233-K256 HydrophobicContact CZ-CD 4.12Å
234S86.4Confident73.2Confident73 Ų7368.6 Ų68.651%0.5140%0.402SS..EExtended strand (participates in β ladder)trans-105.5133.3173.6-62.30000109.9F254 V255S234-F254 CarbonylContact O-C 3.4Å; S234-F254 WeakPolarHBondContact O-CA 3.33Å; S234-F254 WeakPolarHBondContact O-CB 3.4Å; S234-V255 PolarHBondContact N-O 3.38Å; S234-V255 PolarHBondContact O-N 3.47Å
235I85.6Confident72.4Confident65 Ų6572.4 Ų72.433%0.33343%0.429SS..EExtended strand (participates in β ladder)trans-72.3133.5177.3-167.1169.2000110.4L239 L252 F254I235-L239 HydrophobicContact CD1-CD1 4.27Å; I235-L239 HydrophobicContact CD1-CD2 4.16Å; I235-L239 HydrophobicContact CD1-CG 4.28Å; I235-L252 HydrophobicContact CD1-CD2 4.16Å; I235-F254 HydrophobicContact CB-CD1 3.79Å; I235-F254 HydrophobicContact CB-CE1 3.64Å; I235-F254 HydrophobicContact CB-CZ 4.4Å; I235-F254 HydrophobicContact CD1-CE1 4.12Å; I235-F254 HydrophobicContact CD1-CZ 4.1Å; I235-F254 HydrophobicContact CG1-CD1 4.21Å; I235-F254 HydrophobicContact CG1-CE1 3.85Å; I235-F254 HydrophobicContact CG1-CZ 4.11Å
236I83.2Confident71.6Confident99 Ų9973.7 Ų73.751%0.50844%0.437SS..  trans-108.1-27179.9-48.6168.3000111.2S238 H253 V255I236-S238 PolarHBondContact O-N 2.88Å; I236-H253 PolarHBondContact N-O 3.03Å; I236-V255 HydrophobicContact CD1-CB 3.49Å; I236-V255 VanDerWaalsContact CD1-CB 3.49Å; I236-V255 HydrophobicContact CD1-CG1 3.51Å; I236-V255 HydrophobicContact CG1-CB 4.2Å; I236-V255 HydrophobicContact CG1-CG1 3.74Å
237T73.2Confident70.8Confident40 Ų4070.9 Ų70.925%0.24542%0.424CS..SBendtrans-64.2128.6-179.9-50.40000110.8L239 H253T237-L239 PolarHBondContact O-N 2.95Å; T237-L239 VanDerWaalsContact O-N 3.1Å; T237-H253 PolarHBondContact OG1-N 3.39Å; T237-H253 PolarHBondContact OG1-ND1 3.42Å
238S59.1Low70.2Confident107 Ų10772 Ų7275%0.74844%0.439SS*.  trans-62111167.1177.70000109I236 D240I236-S238 PolarHBondContact O-N 2.88Å; S238-D240 PolarHBondContact O-N 2.78Å
239L61.3Low69.7Low82 Ų8273.3 Ų73.343%0.42945%0.45SS..  trans-73.295.9172.1-64.6170.2000107.6I235 T237 S241 V246 L252I235-L239 HydrophobicContact CD1-CD1 4.27Å; I235-L239 HydrophobicContact CD1-CD2 4.16Å; I235-L239 HydrophobicContact CD1-CG 4.28Å; T237-L239 PolarHBondContact O-N 2.95Å; T237-L239 VanDerWaalsContact O-N 3.1Å; L239-S241 VanDerWaalsContact C-N 3.34Å; L239-S241 PolarHBondContact O-N 3.47Å; L239-V246 HydrophobicContact CD1-CG2 3.58Å; L239-V246 HydrophobicContact CD2-CB 4.34Å; L239-V246 HydrophobicContact CD2-CG1 4.45Å; L239-V246 HydrophobicContact CD2-CG2 3.76Å; L239-V246 HydrophobicContact CG-CG2 4.32Å; L239-L252 HydrophobicContact CD2-CD2 3.98Å
240D52.1Low69.4Low90 Ų9076.3 Ų76.348%0.48146%0.462SS..  trans-6598.3168.4-179.33.9000108.5S238 S242 K243S238-D240 PolarHBondContact O-N 2.78Å; D240-S242 PolarHBondContact O-N 3.15Å; D240-S242 VanDerWaalsContact O-N 3.12Å; D240-S242 WeakPolarHBondContact OD1-CB 3.5Å; D240-S242 PolarHBondContact OD1-N 3.32Å; D240-S242 PolarHBondContact OD1-OG 3.09Å; D240-S242 PolarHBondContact OD2-OG 3.35Å; D240-K243 PolarHBondContact O-N 3.07Å
241S51.7Low69.4Low107 Ų10769.7 Ų69.775%0.74844%0.438SS*.G310 helixtrans-65.8-10.6-17959.20000112.9L239 K243 G244L239-S241 VanDerWaalsContact C-N 3.34Å; L239-S241 PolarHBondContact O-N 3.47Å; S241-K243 PolarHBondContact O-N 3.49Å; S241-G244 PolarHBondContact O-N 2.94Å
242S54Low69.7Low93 Ų9368.8 Ų68.865%0.6543%0.431SS*.G310 helixtrans-66.7-20175.177.80000113.2D240D240-S242 PolarHBondContact O-N 3.15Å; D240-S242 VanDerWaalsContact O-N 3.12Å; D240-S242 WeakPolarHBondContact OD1-CB 3.5Å; D240-S242 PolarHBondContact OD1-N 3.32Å; D240-S242 PolarHBondContact OD1-OG 3.09Å; D240-S242 PolarHBondContact OD2-OG 3.35Å
243K49.7Very low69.9Low172 Ų17269.4 Ų69.475%0.74842%0.422SS*.G310 helixtrans-103.75.1176-62.7-163.2-179.7-177.10114.7D240 S241D240-K243 PolarHBondContact O-N 3.07Å; S241-K243 PolarHBondContact O-N 3.49Å
244G57.4Low70.1Confident49 Ų4969.2 Ų69.251%0.50542%0.421SS..  trans87.3-159.3178.100000115.2S241S241-G244 PolarHBondContact O-N 2.94Å
245S64.8Low70.1Confident83 Ų8368.3 Ų68.358%0.5841%0.412SS*.SBendtrans-53.8153.7-168.9-179.10000114.9V247 A248S245-V247 PolarHBondContact O-N 2.98Å; S245-A248 WeakPolarHBondContact O-CB 3.31Å; S245-A248 PolarHBondContact O-N 3.49Å
246V67Low70Confident38 Ų3871 Ų7123%0.2342%0.422CS..G310 helixtrans-45.8-31.3176.1173.20000113.4V225 L239 A248 A249 L252V225-V246 HydrophobicContact CG2-CG1 4.15Å; L239-V246 HydrophobicContact CD1-CG2 3.58Å; L239-V246 HydrophobicContact CD2-CB 4.34Å; L239-V246 HydrophobicContact CD2-CG1 4.45Å; L239-V246 HydrophobicContact CD2-CG2 3.76Å; L239-V246 HydrophobicContact CG-CG2 4.32Å; V246-A248 PolarHBondContact O-N 3.4Å; V246-A249 PolarHBondContact O-N 3.34Å; V246-L252 HydrophobicContact CG1-CD1 3.52Å; V246-L252 HydrophobicContact CG1-CD2 4.03Å; V246-L252 HydrophobicContact CG1-CG 4.45Å
247V66.6Low69.3Low28 Ų2869.6 Ų69.617%0.1742%0.417CS..G310 helixtrans-66.3-23.8179-63.70000113.4E218 K221 L222 S245E218-V247 HydrophobicContact CB-CB 4.26Å; E218-V247 HydrophobicContact CB-CG1 4.43Å; E218-V247 HydrophobicContact CG-CB 4.33Å; E218-V247 HydrophobicContact CG-CG2 4.5Å; K221-V247 PolarHBondContact NZ-O 3.43Å; L222-V247 HydrophobicContact CB-CG1 4.18Å; S245-V247 PolarHBondContact O-N 2.98Å
248A70.2Confident69.1Low61 Ų6171.2 Ų71.250%0.50443%0.427SS..G310 helixtrans-86-11.8-178.600000114.5S245 V246S245-A248 WeakPolarHBondContact O-CB 3.31Å; S245-A248 PolarHBondContact O-N 3.49Å; V246-A248 PolarHBondContact O-N 3.4Å
249A72.3Confident69.7Low29 Ų2969.2 Ų69.224%0.2441%0.409CS..  trans-66.5140.7178.400000111.4K221 V246 A251 L252K221-A249 PolarHBondContact NZ-O 3.12Å; V246-A249 PolarHBondContact O-N 3.34Å; A249-A251 VanDerWaalsContact C-N 3.34Å; A249-A251 PolarHBondContact O-N 3.4Å; A249-L252 HydrophobicContact CB-CD2 3.73Å; A249-L252 HydrophobicContact CB-CG 4.29Å
250E77.3Confident70.2Confident151 Ų15168.4 Ų68.471%0.70641%0.407SS*.SBendtrans-72-32179.6-67.7179.5158.800112.6D146D146-E250 PolarHBondContact N-O 3.38Å
251A81.3Confident71.3Confident30 Ų3067.1 Ų67.125%0.24840%0.403CS..EExtended strand (participates in β ladder)trans-139.6143.3177.700000111.3V144 T145 A249V144-A251 CarbonylContact O-C 3.53Å; V144-A251 WeakPolarHBondContact O-CA 3.49Å; T145-A251 HydrophobicContact CG2-CB 3.97Å; A249-A251 VanDerWaalsContact C-N 3.34Å; A249-A251 PolarHBondContact O-N 3.4Å
252L84.9Confident72.6Confident0 Ų064.4 Ų64.40%038%0.38CS..EExtended strand (participates in β ladder)trans-127.3129.9172.5-59.9169.1000109.2E143 V144 K221 V225 I235 L239 V246 A249 F254E143-L252 CarbonylContact C-O 3.42Å; E143-L252 WeakPolarHBondContact CA-O 3.31Å; V144-L252 HydrophobicContact CB-CB 4.31Å; V144-L252 PolarHBondContact N-O 2.74Å; V144-L252 PolarHBondContact O-N 3.39Å; K221-L252 HydrophobicContact CG-CD1 4.4Å; V225-L252 HydrophobicContact CG2-CD1 3.64Å; I235-L252 HydrophobicContact CD1-CD2 4.16Å; L239-L252 HydrophobicContact CD2-CD2 3.98Å; V246-L252 HydrophobicContact CG1-CD1 3.52Å; V246-L252 HydrophobicContact CG1-CD2 4.03Å; V246-L252 HydrophobicContact CG1-CG 4.45Å; A249-L252 HydrophobicContact CB-CD2 3.73Å; A249-L252 HydrophobicContact CB-CG 4.29Å; L252-F254 HydrophobicContact CB-CE2 3.62Å; L252-F254 HydrophobicContact CB-CZ 4.14Å
253H85.8Confident73.9Confident57 Ų5762.4 Ų62.426%0.26436%0.36SS..EExtended strand (participates in β ladder)trans-117.3138.3-179.1-55.4104000109.6F141 L142 E143 I236 T237F141-H253 HydrophobicContact CE2-CB 4.07Å; F141-H253 HydrophobicContact CZ-CB 4.22Å; F141-H253 AromaticContact CZ-CD2 3.49Å; F141-H253 VanDerWaalsContact CZ-CD2 3.49Å; F141-H253 WeakPolarHBondContact CZ-CD2 3.4Å; L142-H253 CarbonylContact O-C 3.54Å; L142-H253 WeakPolarHBondContact O-CA 3.39Å; E143-H253 IonicContact OE1-NE2 2.78Å; I236-H253 PolarHBondContact N-O 3.03Å; T237-H253 PolarHBondContact OG1-N 3.39Å; T237-H253 PolarHBondContact OG1-ND1 3.42Å
254F88.2Confident75.8Confident0 Ų053.9 Ų53.90%033%0.331CS..EExtended strand (participates in β ladder)trans-135.1153.8179.1-52-108.6000111.1L142 V144 V225 A228 F233 S234 I235 L252L142-F254 HydrophobicContact CB-CB 4.12Å; L142-F254 HydrophobicContact CB-CD2 4.48Å; L142-F254 HydrophobicContact CD2-CB 4.17Å; L142-F254 HydrophobicContact CD2-CD2 3.73Å; L142-F254 HydrophobicContact CD2-CE2 4.37Å; L142-F254 HydrophobicContact CD2-CG 4.01Å; L142-F254 HydrophobicContact CG-CB 4.42Å; L142-F254 HydrophobicContact CG-CD2 3.93Å; L142-F254 HydrophobicContact CG-CG 4.47Å; L142-F254 PolarHBondContact N-O 3.48Å; L142-F254 PolarHBondContact O-N 3.47Å; V144-F254 HydrophobicContact CG2-CE2 4.36Å; V225-F254 HydrophobicContact CB-CZ 4.42Å; V225-F254 HydrophobicContact CG1-CE1 4.32Å; V225-F254 HydrophobicContact CG1-CZ 4.11Å; V225-F254 HydrophobicContact CG2-CZ 3.96Å; A228-F254 HydrophobicContact CB-CD1 4.3Å; A228-F254 HydrophobicContact CB-CE1 4.39Å; F233-F254 HydrophobicContact CB-CB 3.9Å; F233-F254 HydrophobicContact CB-CD1 4.35Å; F233-F254 HydrophobicContact CB-CG 4.46Å; F233-F254 HydrophobicContact CD1-CB 3.96Å; F233-F254 HydrophobicContact CG-CB 4.35Å; S234-F254 CarbonylContact O-C 3.4Å; S234-F254 WeakPolarHBondContact O-CA 3.33Å; S234-F254 WeakPolarHBondContact O-CB 3.4Å; I235-F254 HydrophobicContact CB-CD1 3.79Å; I235-F254 HydrophobicContact CB-CE1 3.64Å; I235-F254 HydrophobicContact CB-CZ 4.4Å; I235-F254 HydrophobicContact CD1-CE1 4.12Å; I235-F254 HydrophobicContact CD1-CZ 4.1Å; I235-F254 HydrophobicContact CG1-CD1 4.21Å; I235-F254 HydrophobicContact CG1-CE1 3.85Å; I235-F254 HydrophobicContact CG1-CZ 4.11Å; L252-F254 HydrophobicContact CB-CE2 3.62Å; L252-F254 HydrophobicContact CB-CZ 4.14Å
255V86.9Confident77.3Confident53 Ų5354.3 Ų54.332%0.32132%0.316SS..EExtended strand (participates in β ladder)trans-128.5145.2172.165.40000110.1P139 A140 F233 S234 I236P139-V255 HydrophobicContact CB-CG2 3.93Å; A140-V255 CarbonylContact O-C 3.55Å; A140-V255 WeakPolarHBondContact O-CA 3.36Å; F233-V255 CarbonylContact C-O 3.6Å; F233-V255 WeakPolarHBondContact CA-O 3.3Å; S234-V255 PolarHBondContact N-O 3.38Å; S234-V255 PolarHBondContact O-N 3.47Å; I236-V255 HydrophobicContact CD1-CB 3.49Å; I236-V255 VanDerWaalsContact CD1-CB 3.49Å; I236-V255 HydrophobicContact CD1-CG1 3.51Å; I236-V255 HydrophobicContact CG1-CB 4.2Å; I236-V255 HydrophobicContact CG1-CG1 3.74Å
256K82.8Confident78.5Confident122 Ų12251.7 Ų51.753%0.5329%0.292SS..  trans-1280172.8177.1179.6174.7179.40110.4P139 A140 A231 F233P139-K256 CarbonylContact C-O 3.47Å; P139-K256 WeakPolarHBondContact CA-O 3.38Å; A140-K256 HydrophobicContact CB-CB 4.26Å; A140-K256 PolarHBondContact N-O 2.84Å; A140-K256 PolarHBondContact O-N 2.77Å; A231-K256 VanDerWaalsContact O-CD 3.3Å; A231-K256 WeakPolarHBondContact O-CD 3.48Å; A231-K256 WeakPolarHBondContact O-CE 3.29Å; A231-K256 PolarHBondContact O-NZ 3.04Å; F233-K256 HydrophobicContact CB-CB 4.4Å; F233-K256 HydrophobicContact CD1-CB 3.55Å; F233-K256 HydrophobicContact CD2-CB 4.03Å; F233-K256 HydrophobicContact CD2-CD 3.88Å; F233-K256 HydrophobicContact CE1-CB 3.69Å; F233-K256 HydrophobicContact CE2-CB 4.16Å; F233-K256 HydrophobicContact CE2-CD 3.71Å; F233-K256 HydrophobicContact CG-CB 3.73Å; F233-K256 HydrophobicContact CG-CD 4.42Å; F233-K256 HydrophobicContact CZ-CB 3.99Å; F233-K256 HydrophobicContact CZ-CD 4.12Å

Retrieved 256 of 256 residues in 1137.1 ms (Link to these results)