A0A096NGB5_PAPAN Loading...

6-phosphofructo-2-kinase/fructose-2,6-biphosphatase 4

AlphaFold DB (Q4R8B6), UniProt , Accession A0A096NGB5, Species PAPAN (Papio anubis, Olive baboon), Gene PFKFB4, Length 469 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M45Very low79.7Confident242 Ų242112.4 Ų112.4100%1.19262%0.616SS**  0127.30-69.7178.4-172.500107.4S3M1-S3 PolarHBondContact O-N 2.89Å
2A65.8Low80.7Confident105 Ų105105.9 Ų105.987%0.86858%0.58SS**PPolyproline II helixtrans-65.9125.3171.600000107.9
3S70.5Confident81.6Confident98 Ų98101.9 Ų101.969%0.68555%0.554SS**PPolyproline II helixtrans-57.3143.1175.948.80000109.9M1 R5M1-S3 PolarHBondContact O-N 2.89Å; S3-R5 PolarHBondContact O-N 3.36Å
4P75.7Confident82.5Confident128 Ų12896.3 Ų96.383%0.83152%0.521SS*.PPolyproline II helixtrans-51.5130.4174.4-22.432.2000109.5E6P4-E6 PolarHBondContact O-N 3.4Å
5R79.2Confident83.1Confident196 Ų19695.1 Ų95.174%0.7451%0.513SS*.PPolyproline II helixtrans-72.6130.6179.8-66.5-175.7-178-179.5-0.2109S3S3-R5 PolarHBondContact O-N 3.36Å
6E87.8Confident83.6Confident138 Ų13899.4 Ų99.465%0.64552%0.52SS*.PPolyproline II helixtrans-62147.5167.1-170.1172.1-162.700109.7P4 Y19P4-E6 PolarHBondContact O-N 3.4Å; E6-Y19 VanDerWaalsContact O-CB 3.26Å; E6-Y19 WeakPolarHBondContact O-CB 3.43Å; E6-Y19 PolarHBondContact O-N 3.43Å
7L89.4Confident83.8Confident95 Ų9595.1 Ų95.150%0.49750%0.497SS..EExtended strand (participates in β ladder)trans-114146-179.1-57.2-178.7000110.1W16 M17L7-W16 HydrophobicContact CB-CE3 3.9Å; L7-W16 HydrophobicContact CB-CZ3 4.46Å; L7-M17 CarbonylContact C-O 3.59Å; L7-M17 WeakPolarHBondContact CA-O 3.36Å
8T91.3Very high83.8Confident42 Ų4292.1 Ų92.126%0.25848%0.484SS..EExtended strand (participates in β ladder)trans-125.2154.2167.7-1710000109.5M17 Y19 P24T8-M17 PolarHBondContact N-O 2.93Å; T8-M17 PolarHBondContact O-N 2.77Å; T8-M17 VanDerWaalsContact O-O 3.11Å; T8-Y19 HydrophobicContact CG2-CD2 3.69Å; T8-Y19 HydrophobicContact CG2-CE2 4.42Å; T8-P24 HydrophobicContact CG2-CB 4.33Å
9Q91Very high83.1Confident75 Ų7592.8 Ų92.835%0.3548%0.48SS..EExtended strand (participates in β ladder)trans-96.9130.9178.1-161179.439.100110P11 K14 I15 W16Q9-P11 WeakPolarHBondContact O-CD 3.38Å; Q9-K14 VanDerWaalsContact CG-C 3.44Å; Q9-K14 HydrophobicContact CG-CB 4.42Å; Q9-K14 PolarHBondContact NE2-O 2.98Å; Q9-I15 WeakPolarHBondContact CA-O 3.36Å; Q9-W16 HydrophobicContact CB-CD2 4.19Å; Q9-W16 HydrophobicContact CB-CE3 4.02Å; Q9-W16 HydrophobicContact CB-CH2 4.31Å; Q9-W16 HydrophobicContact CB-CZ2 4.45Å; Q9-W16 HydrophobicContact CB-CZ3 4.1Å; Q9-W16 HydrophobicContact CG-CD2 4.33Å
10N90.2Very high82.2Confident42 Ų4291 Ų9123%0.22548%0.476CS..  trans-57.8123.4170.5-178.7-81.7000109.3L12 K13 K14 I15 M17N10-L12 VanDerWaalsContact C-N 3.31Å; N10-L12 PolarHBondContact O-N 2.85Å; N10-L12 WeakPolarHBondContact OD1-CA 3.34Å; N10-L12 WeakPolarHBondContact OD1-CB 3.32Å; N10-L12 PolarHBondContact OD1-N 3.39Å; N10-K13 PolarHBondContact OD1-N 3.21Å; N10-K14 WeakPolarHBondContact O-CA 3.48Å; N10-K14 PolarHBondContact O-N 3.05Å; N10-I15 PolarHBondContact N-O 3.03Å; N10-M17 HydrophobicContact CB-CE 3.62Å; N10-M17 HydrophobicContact CB-SD 4.24Å
11P90.5Very high80.9Confident75 Ų7594.7 Ų94.749%0.48750%0.497SS..THydrogen-bonded Turntrans-61.7-34.9-176.4-25.734.6000113.9Q9 K14 L350Q9-P11 WeakPolarHBondContact O-CD 3.38Å; P11-K14 WeakPolarHBondContact O-CE 3.43Å; P11-K14 PolarHBondContact O-NZ 2.92Å; P11-L350 HydrophobicContact CB-CD1 3.84Å
12L92Very high81.3Confident35 Ų3585.7 Ų85.718%0.18347%0.466CS..THydrogen-bonded Turntrans-80.3-56.6-176-173.875000112N10 L350 D354 R357 Y358 R359N10-L12 VanDerWaalsContact C-N 3.31Å; N10-L12 PolarHBondContact O-N 2.85Å; N10-L12 WeakPolarHBondContact OD1-CA 3.34Å; N10-L12 WeakPolarHBondContact OD1-CB 3.32Å; N10-L12 PolarHBondContact OD1-N 3.39Å; L12-L350 HydrophobicContact CD1-CB 4.44Å; L12-L350 WeakPolarHBondContact CD1-O 3.46Å; L12-D354 HydrophobicContact CD1-CB 4.19Å; L12-D354 HydrophobicContact CD2-CB 3.96Å; L12-R357 HydrophobicContact CD2-CB 4.15Å; L12-Y358 HydrophobicContact CD1-CD2 4.35Å; L12-Y358 WeakPolarHBondContact O-CA 3.5Å; L12-R359 PolarHBondContact O-N 3.32Å
13K92.5Very high80.3Confident54 Ų5490 Ų9024%0.23546%0.46CS..THydrogen-bonded Turntrans-87.9-10.8-173.7-62.5-164.8171.1-132.80113.9N10 I15 R359 E367N10-K13 PolarHBondContact OD1-N 3.21Å; K13-I15 HydrophobicContact CB-CD1 3.81Å; K13-I15 HydrophobicContact CB-CG1 3.86Å; K13-I15 HydrophobicContact CD-CD1 3.9Å; K13-I15 PolarHBondContact O-N 3.42Å; K13-R359 PolarHBondContact O-NH1 3.25Å; K13-E367 IonicContact NZ-OE1 3.41Å; K13-E367 PolarHBondContact NZ-OE1 2.9Å; K13-E367 IonicContact NZ-OE2 3.44Å; K13-E367 PolarHBondContact NZ-OE2 2.91Å
14K94.6Very high79.2Confident23 Ų2388.4 Ų88.410%0.145%0.447CS..  trans57.531.8-174.7-52.1-57.5-168.4-63.40113.8Q9 N10 P11 E347 R359Q9-K14 VanDerWaalsContact CG-C 3.44Å; Q9-K14 HydrophobicContact CG-CB 4.42Å; Q9-K14 PolarHBondContact NE2-O 2.98Å; N10-K14 WeakPolarHBondContact O-CA 3.48Å; N10-K14 PolarHBondContact O-N 3.05Å; P11-K14 WeakPolarHBondContact O-CE 3.43Å; P11-K14 PolarHBondContact O-NZ 2.92Å; K14-E347 WeakPolarHBondContact CE-OE1 3.25Å; K14-E347 WeakPolarHBondContact CE-OE2 2.99Å; K14-E347 IonicContact NZ-OE1 2.88Å; K14-E347 PolarHBondContact NZ-OE1 3.46Å; K14-E347 IonicContact NZ-OE2 3.8Å; K14-E347 PolarHBondContact NZ-OE2 3.1Å; K14-R359 HydrophobicContact CB-CB 4.48Å; K14-R359 HydrophobicContact CG-CB 4.18Å; K14-R359 WeakPolarHBondContact CG-O 3.21Å; K14-R359 PolarHBondContact NZ-O 3.34Å
15I91.5Very high77.8Confident78 Ų7883.6 Ų83.640%0.442%0.418SS..  trans-93.4131.6177.9-62.1173.5000109.8Q9 N10 K13 M17Q9-I15 WeakPolarHBondContact CA-O 3.36Å; N10-I15 PolarHBondContact N-O 3.03Å; K13-I15 HydrophobicContact CB-CD1 3.81Å; K13-I15 HydrophobicContact CB-CG1 3.86Å; K13-I15 HydrophobicContact CD-CD1 3.9Å; K13-I15 PolarHBondContact O-N 3.42Å; I15-M17 HydrophobicContact CG2-CG 4.35Å
16W91Very high76.1Confident165 Ų16582.1 Ų82.163%0.62542%0.424SS*.EExtended strand (participates in β ladder)trans-73.3130.2173.8-69101.1000111.3L7 Q9L7-W16 HydrophobicContact CB-CE3 3.9Å; L7-W16 HydrophobicContact CB-CZ3 4.46Å; Q9-W16 HydrophobicContact CB-CD2 4.19Å; Q9-W16 HydrophobicContact CB-CE3 4.02Å; Q9-W16 HydrophobicContact CB-CH2 4.31Å; Q9-W16 HydrophobicContact CB-CZ2 4.45Å; Q9-W16 HydrophobicContact CB-CZ3 4.1Å; Q9-W16 HydrophobicContact CG-CD2 4.33Å
17M86.8Confident73.9Confident25 Ų2583.3 Ų83.312%0.12343%0.429CS..EExtended strand (participates in β ladder)trans-135.7151.3-177.9-58.3179.5-55.200110.1L7 T8 N10 I15 Y19 P24L7-M17 CarbonylContact C-O 3.59Å; L7-M17 WeakPolarHBondContact CA-O 3.36Å; T8-M17 PolarHBondContact N-O 2.93Å; T8-M17 PolarHBondContact O-N 2.77Å; T8-M17 VanDerWaalsContact O-O 3.11Å; N10-M17 HydrophobicContact CB-CE 3.62Å; N10-M17 HydrophobicContact CB-SD 4.24Å; I15-M17 HydrophobicContact CG2-CG 4.35Å; M17-Y19 PolarHBondContact O-N 2.86Å; M17-P24 HydrophobicContact CE-CB 3.39Å; M17-P24 HydrophobicContact CE-CG 4.39Å
18P84.6Confident71.4Confident42 Ų4282.2 Ų82.227%0.27343%0.433SS..EExtended strand (participates in β ladder)trans-60134.7174.4-19.431.2000111.9A25P18-A25 WeakPolarHBondContact O-CB 3.43Å; P18-A25 PolarHBondContact O-N 3.23Å
19Y70.1Confident68.6Low105 Ų10585 Ų8541%0.41245%0.454SS..EExtended strand (participates in β ladder)trans-80.1124.6173.9-160.6-112.9000109.3E6 T8 M17E6-Y19 VanDerWaalsContact O-CB 3.26Å; E6-Y19 WeakPolarHBondContact O-CB 3.43Å; E6-Y19 PolarHBondContact O-N 3.43Å; T8-Y19 HydrophobicContact CG2-CD2 3.69Å; T8-Y19 HydrophobicContact CG2-CE2 4.42Å; M17-Y19 PolarHBondContact O-N 2.86Å
20S63.8Low65.9Low56 Ų5690.8 Ų90.839%0.39248%0.481SS..EExtended strand (participates in β ladder)trans-138.3121.5172.182.40000111.7G22 R23 A25S20-G22 PolarHBondContact O-N 2.91Å; S20-R23 PolarHBondContact N-O 3.21Å; S20-R23 PolarHBondContact O-N 3.38Å; S20-A25 WeakPolarHBondContact OG-CB 3.49Å
21N55.9Low63Low170 Ų17098.6 Ų98.691%0.90951%0.507SS*.THydrogen-bonded Turntrans49.648.7172-65.3-7.4000114.6R23N21-R23 PolarHBondContact O-N 3.26Å
22G53.7Low60.3Low53 Ų5398.4 Ų98.455%0.54652%0.519SS..THydrogen-bonded Turntrans72.48.3172.800000115.4S20S20-G22 PolarHBondContact O-N 2.91Å
23R44.7Very low57.5Low196 Ų196101.1 Ų101.174%0.7454%0.537SS*.EExtended strand (participates in β ladder)trans-133.9150.7171-67.9-174.3179.3-176.1-0.4109.7S20 N21 A25S20-R23 PolarHBondContact N-O 3.21Å; S20-R23 PolarHBondContact O-N 3.38Å; N21-R23 PolarHBondContact O-N 3.26Å; R23-A25 PolarHBondContact O-N 2.8Å; R23-A25 VanDerWaalsContact O-N 3.14Å
24P47.5Very low54.7Low64 Ų64102.2 Ų102.242%0.41655%0.55SS.*EExtended strand (participates in β ladder)trans-53.1126.4165.720.5-29000107.8T8 M17 L26T8-P24 HydrophobicContact CG2-CB 4.33Å; M17-P24 HydrophobicContact CE-CB 3.39Å; M17-P24 HydrophobicContact CE-CG 4.39Å; P24-L26 VanDerWaalsContact C-N 3.31Å; P24-L26 PolarHBondContact O-N 3.09Å
25A45.5Very low51.9Low26 Ų26109.1 Ų109.122%0.21559%0.585CS.*  trans-60.3100.3174.600000106.8P18 S20 R23 H27P18-A25 WeakPolarHBondContact O-CB 3.43Å; P18-A25 PolarHBondContact O-N 3.23Å; S20-A25 WeakPolarHBondContact OG-CB 3.49Å; R23-A25 PolarHBondContact O-N 2.8Å; R23-A25 VanDerWaalsContact O-N 3.14Å; A25-H27 PolarHBondContact O-N 3.29Å
26L43.8Very low50Low166 Ų166110 Ų11087%0.86959%0.594SS**  trans-48.6119.2165.6-80.7163.9000104.7P24 A28P24-L26 VanDerWaalsContact C-N 3.31Å; P24-L26 PolarHBondContact O-N 3.09Å; L26-A28 PolarHBondContact O-N 3.29Å
27H42.2Very low49Very low162 Ų162107.2 Ų107.275%0.7559%0.591SS**  trans-38.8120.2-177.5-100.2-83.5000108.6A25 C29A25-H27 PolarHBondContact O-N 3.29Å; H27-C29 PolarHBondContact O-N 3.41Å
28A36.3Very low49Very low72 Ų72107.4 Ų107.460%0.59559%0.594SS**SBendtrans-48.4101.2-17100000110.4L26L26-A28 PolarHBondContact O-N 3.29Å
29C33.1Very low49.5Very low101 Ų101106.2 Ų106.268%0.68259%0.587SS**  trans63.3149.9166.5-1730000113.8H27 R31H27-C29 PolarHBondContact O-N 3.41Å; C29-R31 HydrophobicContact CB-CG 4.09Å; C29-R31 PolarHBondContact O-N 3.37Å
30Q34.4Very low50.7Low197 Ų197101.3 Ų101.392%0.92157%0.568SS**  trans-59.664.7147.6-70.2169.6-30.600108.2G32Q30-G32 PolarHBondContact O-N 3.45Å
31R29.2Very low52.4Low206 Ų20698.7 Ų98.778%0.77755%0.549SS*.  trans-61.4116.4170.2-92.2-179.8179.4-158.3-0.8105C29 V33C29-R31 HydrophobicContact CB-CG 4.09Å; C29-R31 PolarHBondContact O-N 3.37Å; R31-V33 PolarHBondContact O-N 3.09Å
32G33Very low54.4Low71 Ų7190.6 Ų90.673%0.73251%0.506SS*.  trans-39.7128.2-172.600000111.1Q30 C34Q30-G32 PolarHBondContact O-N 3.45Å; G32-C34 PolarHBondContact O-N 2.61Å
33V33.2Very low56.5Low92 Ų9288 Ų8856%0.55848%0.48SS*.  trans-0.695.6168.4-173.20000111.1R31 M35R31-V33 PolarHBondContact O-N 3.09Å; V33-M35 PolarHBondContact O-N 3.11Å; V33-M35 VanDerWaalsContact O-N 3.14Å
34C33.7Very low59.1Low77 Ų7778.7 Ų78.752%0.5245%0.445SS..  trans-50.3126.7159.5-1750000105.5G32 T36 N37G32-C34 PolarHBondContact O-N 2.61Å; C34-T36 PolarHBondContact O-N 2.77Å; C34-T36 PolarHBondContact SG-OG1 3.34Å; C34-N37 PolarHBondContact O-N 2.68Å
35M35Very low61.5Low168 Ų16875.7 Ų75.783%0.82843%0.425SS*.G310 helixtrans-54.6-10.6-179.2-84.1-170165.600113.3V33 N37 C38V33-M35 PolarHBondContact O-N 3.11Å; V33-M35 VanDerWaalsContact O-N 3.14Å; M35-N37 VanDerWaalsContact C-N 3.32Å; M35-C38 PolarHBondContact O-SG 2.88Å
36T51.6Low63.9Low96 Ų9674.4 Ų74.459%0.58942%0.415SS*.G310 helixtrans-70.2-23.1170.562.40000114C34C34-T36 PolarHBondContact O-N 2.77Å; C34-T36 PolarHBondContact SG-OG1 3.34Å
37N70Confident66.4Low107 Ų10767.3 Ų67.357%0.57238%0.377SS*.G310 helixtrans-120.934.2-174.1-70.611.4000112.9C34 M35C34-N37 PolarHBondContact O-N 2.68Å; M35-N37 VanDerWaalsContact C-N 3.32Å
38C87Confident68.7Low28 Ų2860 Ų6019%0.18934%0.344CS..  trans-59.4135.7172.6-53.10000110.1M35 K151M35-C38 PolarHBondContact O-SG 2.88Å; C38-K151 HydrophobicContact CB-CG 4.17Å
39P95.3Very high71.2Confident18 Ų1856.8 Ų56.812%0.11732%0.318CS..  trans-58.3151.5174.1-21.831.8000112.1L118 H124 Y150 K151P39-L118 HydrophobicContact CB-CB 4.05Å; P39-L118 HydrophobicContact CB-CD1 4.11Å; P39-L118 HydrophobicContact CB-CD2 4.03Å; P39-L118 HydrophobicContact CB-CG 4.28Å; P39-L118 HydrophobicContact CG-CB 4.48Å; P39-H124 CarbonylContact C-O 3.57Å; P39-H124 VanDerWaalsContact CA-O 3.29Å; P39-H124 WeakPolarHBondContact CA-O 3.38Å; P39-Y150 HydrophobicContact CB-CD1 4.04Å; P39-Y150 HydrophobicContact CG-CD1 4.23Å; P39-Y150 HydrophobicContact CG-CE1 4.45Å; P39-Y150 CarbonylContact O-C 3.25Å; P39-Y150 VanDerWaalsContact O-CA 3.29Å; P39-Y150 WeakPolarHBondContact O-CA 3.29Å; P39-K151 PolarHBondContact O-N 3.5Å
40T96.8Very high73.9Confident2 Ų252.8 Ų52.81%0.01229%0.289CS..EExtended strand (participates in β ladder)trans-111.8129.6-177.7-610000111I42 H124 V125 A126 K151 F153T40-I42 HydrophobicContact CG2-CG1 4.12Å; T40-H124 PolarHBondContact N-O 3.38Å; T40-V125 CarbonylContact O-C 3.57Å; T40-V125 VanDerWaalsContact O-CA 3.3Å; T40-V125 WeakPolarHBondContact O-CA 3.47Å; T40-A126 PolarHBondContact O-N 3.3Å; T40-K151 CarbonylContact C-O 3.57Å; T40-K151 WeakPolarHBondContact CA-O 3.14Å; T40-F153 HydrophobicContact CG2-CB 4.26Å
41L98.1Very high76.5Confident0 Ų044.5 Ų44.50%026%0.257CS..EExtended strand (participates in β ladder)trans-98.3106.4168.1178.255.9000109.3V43 V114 A126 F128 I141 F144 K151 T152 F153L41-V43 HydrophobicContact CD2-CG2 4.45Å; L41-V43 HydrophobicContact CG-CG2 4Å; L41-V114 HydrophobicContact CD1-CG1 3.9Å; L41-V114 HydrophobicContact CD1-CG2 4.47Å; L41-A126 HydrophobicContact CD1-CB 4.09Å; L41-F128 HydrophobicContact CD1-CB 3.96Å; L41-I141 HydrophobicContact CD2-CG2 3.77Å; L41-F144 HydrophobicContact CD2-CD1 3.98Å; L41-F144 HydrophobicContact CD2-CE1 4.23Å; L41-K151 PolarHBondContact N-O 2.98Å; L41-T152 WeakPolarHBondContact O-CA 3.26Å; L41-F153 PolarHBondContact O-N 3.33Å
42I98.6Very high79.5Confident0 Ų035.4 Ų35.40%022%0.222CC..EExtended strand (participates in β ladder)trans-83.6126.5171.8-58.8-177.9000108.5T40 M44 L59 L63 V125 A126 V127 F128 F153 V155 I238T40-I42 HydrophobicContact CG2-CG1 4.12Å; I42-M44 HydrophobicContact CG2-SD 4.26Å; I42-L59 HydrophobicContact CD1-CD2 3.59Å; I42-L63 HydrophobicContact CD1-CD1 4.5Å; I42-V125 HydrophobicContact CD1-CG1 3.55Å; I42-V125 HydrophobicContact CG1-CG1 3.81Å; I42-A126 PolarHBondContact N-O 2.94Å; I42-V127 HydrophobicContact CB-CG2 4.32Å; I42-V127 HydrophobicContact CD1-CG2 4.27Å; I42-V127 HydrophobicContact CG2-CG1 4.36Å; I42-F128 WeakPolarHBondContact O-CB 3.38Å; I42-F128 PolarHBondContact O-N 3.05Å; I42-F153 CarbonylContact C-O 3.56Å; I42-F153 VanDerWaalsContact CA-O 3.26Å; I42-F153 WeakPolarHBondContact CA-O 3.48Å; I42-V155 HydrophobicContact CG2-CB 4.48Å; I42-V155 HydrophobicContact CG2-CG2 3.74Å; I42-I238 HydrophobicContact CD1-CD1 3.49Å; I42-I238 VanDerWaalsContact CD1-CD1 3.49Å; I42-I238 HydrophobicContact CD1-CG1 4.26Å; I42-I238 HydrophobicContact CG1-CD1 4.31Å
43V98.6Very high82.2Confident0 Ų032.9 Ų32.90%019%0.193CC..EExtended strand (participates in β ladder)trans-114.5112-178.3-174.50000109.2L41 N132 I141 T152 F153 F154 V155L41-V43 HydrophobicContact CD2-CG2 4.45Å; L41-V43 HydrophobicContact CG-CG2 4Å; V43-N132 HydrophobicContact CG1-CB 4.28Å; V43-N132 WeakPolarHBondContact CG1-ND2 3.24Å; V43-I141 HydrophobicContact CG1-CD1 4.01Å; V43-I141 HydrophobicContact CG1-CG2 4.29Å; V43-I141 HydrophobicContact CG2-CG2 3.53Å; V43-T152 HydrophobicContact CG2-CG2 3.78Å; V43-F153 PolarHBondContact N-O 2.99Å; V43-F154 HydrophobicContact CB-CD1 3.59Å; V43-F154 HydrophobicContact CB-CE1 3.78Å; V43-F154 HydrophobicContact CB-CG 4.36Å; V43-F154 HydrophobicContact CG1-CD1 3.78Å; V43-F154 HydrophobicContact CG1-CE1 3.76Å; V43-F154 HydrophobicContact CG2-CD1 4.35Å; V43-F154 HydrophobicContact CG2-CE1 4.13Å; V43-F154 WeakPolarHBondContact O-CA 3.39Å; V43-V155 PolarHBondContact O-N 2.94Å
44M98.4Very high84.9Confident0 Ų030.1 Ų30.10%017%0.173CC..EExtended strand (participates in β ladder)trans-73.5138.3176.1-56.9-55.6-5700110.2I42 K52 I55 S56 V127 F128 D129 N132 V155I42-M44 HydrophobicContact CG2-SD 4.26Å; M44-K52 HydrophobicContact CB-CB 4.35Å; M44-K52 HydrophobicContact CB-CD 4.08Å; M44-K52 HydrophobicContact CB-CG 4.44Å; M44-K52 HydrophobicContact CE-CB 4.18Å; M44-K52 HydrophobicContact CE-CG 4.39Å; M44-I55 HydrophobicContact CE-CB 3.98Å; M44-I55 HydrophobicContact CE-CG2 3.79Å; M44-S56 VanDerWaalsContact CG-OG 3.24Å; M44-S56 WeakPolarHBondContact CG-OG 3.33Å; M44-V127 HydrophobicContact CG-CG1 4.1Å; M44-V127 HydrophobicContact SD-CG1 4.1Å; M44-F128 PolarHBondContact N-O 3.42Å; M44-F128 VanDerWaalsContact N-O 3.11Å; M44-D129 HydrophobicContact CG-CB 4.34Å; M44-N132 WeakPolarHBondContact O-CB 3.29Å; M44-N132 PolarHBondContact O-ND2 2.86Å; M44-V155 CarbonylContact C-O 3.53Å; M44-V155 WeakPolarHBondContact CA-O 3.45Å; M44-V155 HydrophobicContact CE-CB 3.96Å; M44-V155 HydrophobicContact CE-CG1 3.71Å; M44-V155 HydrophobicContact SD-CB 3.88Å; M44-V155 HydrophobicContact SD-CG1 4.22Å
45V98.2Very high87.7Confident0 Ų027 Ų270%015%0.151CC..EExtended strand (participates in β ladder)trans-130.5142.1179-176.30000109.8T131 N132 F154 V155 E156 S157V45-T131 CarbonylContact C-O 3.57Å; V45-T131 WeakPolarHBondContact CA-O 3.3Å; V45-N132 HydrophobicContact CG2-CB 4.28Å; V45-F154 HydrophobicContact CG2-CB 4.42Å; V45-F154 HydrophobicContact CG2-CD1 3.85Å; V45-V155 PolarHBondContact N-O 2.93Å; V45-E156 HydrophobicContact CB-CB 3.92Å; V45-E156 HydrophobicContact CB-CG 3.94Å; V45-E156 HydrophobicContact CG1-CB 4.32Å; V45-E156 HydrophobicContact CG1-CG 3.87Å; V45-E156 WeakPolarHBondContact O-CA 3.45Å; V45-S157 PolarHBondContact O-N 3.2Å
46G96.3Very high90.6Very high0 Ų019 Ų190%011%0.111CC..SBendtrans135.1168.5170.600000114K52 T131G46-K52 WeakPolarHBondContact O-CE 2.99Å; G46-K52 PolarHBondContact O-NZ 3.34Å; G46-T131 PolarHBondContact N-O 3.27Å; G46-T131 WeakPolarHBondContact O-CA 3.34Å
47L94.8Very high92.6Very high16 Ų1618.5 Ų18.58%0.08410%0.101CC..  trans-65.8158.1-177.1-65.7172.8000113R50 K52 T133 E199 Y202L47-R50 HydrophobicContact CB-CG 4.35Å; L47-R50 WeakPolarHBondContact O-CB 3.37Å; L47-R50 PolarHBondContact O-N 3.31Å; L47-K52 PolarHBondContact O-NZ 3.47Å; L47-T133 HydrophobicContact CD2-CG2 4.23Å; L47-E199 HydrophobicContact CD1-CG 3.67Å; L47-E199 HydrophobicContact CD2-CG 4.01Å; L47-Y202 HydrophobicContact CD1-CD1 3.86Å; L47-Y202 HydrophobicContact CD1-CE1 4.15Å; L47-Y202 HydrophobicContact CD2-CD1 3.95Å; L47-Y202 HydrophobicContact CD2-CG 4.04Å; L47-Y202 HydrophobicContact CG-CD1 3.73Å; L47-Y202 HydrophobicContact CG-CE1 3.99Å; L47-Y202 HydrophobicContact CG-CG 4.25Å
48P91.9Very high93.7Very high8 Ų813.9 Ų13.95%0.0528%0.076CC..THydrogen-bonded Turntrans-55.2151.5173.4-21.732.7000112.5R50 T131 F191 I195 Y198P48-R50 WeakPolarHBondContact O-CD 3.42Å; P48-R50 PolarHBondContact O-N 3.47Å; P48-R50 PolarHBondContact O-NH1 3.05Å; P48-T131 HydrophobicContact CG-CG2 4.22Å; P48-F191 HydrophobicContact CB-CE1 3.87Å; P48-F191 HydrophobicContact CB-CZ 3.8Å; P48-I195 HydrophobicContact CB-CG1 3.95Å; P48-I195 HydrophobicContact CG-CG1 4.29Å; P48-Y198 HydrophobicContact CG-CD2 3.63Å; P48-Y198 HydrophobicContact CG-CE2 3.96Å; P48-Y198 HydrophobicContact CG-CG 4.34Å
49A88.3Confident94.1Very high6 Ų612.5 Ų12.55%0.057%0.067CC..THydrogen-bonded Turntrans6213.8-176.300000117.1G51 N168 I169 F191 I195A49-G51 PolarHBondContact O-N 3.16Å; A49-N168 HydrophobicContact CB-CB 4.26Å; A49-N168 WeakPolarHBondContact O-CB 3.27Å; A49-N168 PolarHBondContact O-ND2 3.14Å; A49-I169 HydrophobicContact CB-CG1 3.81Å; A49-F191 HydrophobicContact CB-CE1 3.72Å; A49-F191 HydrophobicContact CB-CZ 4.41Å; A49-I195 HydrophobicContact CB-CD1 4.43Å
50R89.8Confident94.2Very high16 Ų1612.5 Ų12.56%0.067%0.066CC..SBendtrans-9748.3171.7-74.256.8176.9-165.7-4.3112L47 P48 K52 S157 C159 E199L47-R50 HydrophobicContact CB-CG 4.35Å; L47-R50 WeakPolarHBondContact O-CB 3.37Å; L47-R50 PolarHBondContact O-N 3.31Å; P48-R50 WeakPolarHBondContact O-CD 3.42Å; P48-R50 PolarHBondContact O-N 3.47Å; P48-R50 PolarHBondContact O-NH1 3.05Å; R50-K52 PolarHBondContact O-N 3.48Å; R50-S157 WeakPolarHBondContact O-CB 3.22Å; R50-S157 PolarHBondContact O-OG 3.34Å; R50-C159 HydrophobicContact CG-CB 4.15Å; R50-E199 IonicContact NH2-OE1 3.52Å; R50-E199 PolarHBondContact NH2-OE1 2.98Å
51G88.5Confident94.1Very high24 Ų2413.2 Ų13.225%0.2477%0.069CC..SBendtrans62.2-1.8171.300000119.9A49 T53 Y54 I55A49-G51 PolarHBondContact O-N 3.16Å; G51-T53 PolarHBondContact O-N 2.95Å; G51-Y54 WeakPolarHBondContact O-CA 3.39Å; G51-Y54 VanDerWaalsContact O-CB 3.28Å; G51-Y54 WeakPolarHBondContact O-CB 3.49Å; G51-Y54 PolarHBondContact O-N 3.02Å; G51-I55 PolarHBondContact O-N 2.88Å
52K92.4Very high94Very high14 Ų1413.2 Ų13.26%0.0617%0.069CC..Hα-helixtrans-51.8-49.3-174.2-65.3-172.3-57.3-70.70114.9M44 G46 L47 R50 Y54 I55 S56 A130M44-K52 HydrophobicContact CB-CB 4.35Å; M44-K52 HydrophobicContact CB-CD 4.08Å; M44-K52 HydrophobicContact CB-CG 4.44Å; M44-K52 HydrophobicContact CE-CB 4.18Å; M44-K52 HydrophobicContact CE-CG 4.39Å; G46-K52 WeakPolarHBondContact O-CE 2.99Å; G46-K52 PolarHBondContact O-NZ 3.34Å; L47-K52 PolarHBondContact O-NZ 3.47Å; R50-K52 PolarHBondContact O-N 3.48Å; K52-Y54 VanDerWaalsContact C-N 3.3Å; K52-Y54 PolarHBondContact O-N 3.37Å; K52-I55 PolarHBondContact O-N 2.96Å; K52-S56 WeakPolarHBondContact O-CB 3.45Å; K52-S56 PolarHBondContact O-N 2.92Å; K52-S56 PolarHBondContact O-OG 3.05Å; K52-A130 WeakPolarHBondContact CD-O 3.29Å; K52-A130 WeakPolarHBondContact CE-O 3.45Å
53T90.3Very high93.9Very high19 Ų1913.2 Ų13.212%0.1177%0.069CC..Hα-helixtrans-66.8-33.6179.5-48.80000111.8G51 S56 K57 D129 Y428G51-T53 PolarHBondContact O-N 2.95Å; T53-S56 PolarHBondContact O-N 3.22Å; T53-K57 HydrophobicContact CG2-CD 4.38Å; T53-K57 WeakPolarHBondContact O-CB 3.2Å; T53-K57 WeakPolarHBondContact O-CG 3.31Å; T53-K57 PolarHBondContact O-N 3.49Å; T53-D129 WeakPolarHBondContact CA-OD2 3.01Å; T53-D129 VanDerWaalsContact CB-OD2 3.3Å; T53-D129 WeakPolarHBondContact CB-OD2 3.22Å; T53-D129 PolarHBondContact OG1-OD2 3.37Å; T53-Y428 HydrophobicContact CG2-CE1 3.75Å
54Y89.7Confident93.8Very high34 Ų3416.2 Ų16.213%0.1339%0.085CC..Hα-helixtrans-62.9-51173.6168.2-93.9000110.6G51 K52 S56 K57 K58 H246 V247 A427G51-Y54 WeakPolarHBondContact O-CA 3.39Å; G51-Y54 VanDerWaalsContact O-CB 3.28Å; G51-Y54 WeakPolarHBondContact O-CB 3.49Å; G51-Y54 PolarHBondContact O-N 3.02Å; K52-Y54 VanDerWaalsContact C-N 3.3Å; K52-Y54 PolarHBondContact O-N 3.37Å; Y54-S56 VanDerWaalsContact C-N 3.33Å; Y54-S56 PolarHBondContact O-N 3.48Å; Y54-K57 PolarHBondContact O-N 3.3Å; Y54-K58 HydrophobicContact CE1-CD 3.93Å; Y54-K58 HydrophobicContact CE2-CD 4.07Å; Y54-K58 HydrophobicContact CE2-CG 4.33Å; Y54-K58 VanDerWaalsContact CZ-CE 3.44Å; Y54-K58 WeakPolarHBondContact O-CB 3.41Å; Y54-K58 PolarHBondContact O-N 3.08Å; Y54-K58 WeakPolarHBondContact OH-CE 3.4Å; Y54-K58 PolarHBondContact OH-NZ 2.97Å; Y54-H246 PolarHBondContact OH-O 3.4Å; Y54-H246 VanDerWaalsContact OH-O 3.09Å; Y54-V247 HydrophobicContact CD1-CG1 4.32Å; Y54-V247 HydrophobicContact CE1-CG1 3.7Å; Y54-A427 VanDerWaalsContact CD2-O 3.28Å; Y54-A427 WeakPolarHBondContact CD2-O 3.33Å
55I93.2Very high93.7Very high10 Ų1017 Ų175%0.0519%0.088CC..Hα-helixtrans-58.4-47.4176.7-66.6165.6000110.2M44 G51 K52 K57 K58 L59 V155 I218 L242M44-I55 HydrophobicContact CE-CB 3.98Å; M44-I55 HydrophobicContact CE-CG2 3.79Å; G51-I55 PolarHBondContact O-N 2.88Å; K52-I55 PolarHBondContact O-N 2.96Å; I55-K57 PolarHBondContact O-N 2.73Å; I55-K58 PolarHBondContact O-N 2.73Å; I55-L59 WeakPolarHBondContact O-CB 3.4Å; I55-L59 PolarHBondContact O-N 2.94Å; I55-V155 HydrophobicContact CG2-CG1 4.21Å; I55-I218 HydrophobicContact CD1-CD1 3.91Å; I55-L242 HydrophobicContact CG2-CD2 3.49Å; I55-L242 VanDerWaalsContact CG2-CD2 3.49Å
56S94.7Very high93.6Very high0 Ų017.5 Ų17.50%09%0.09CC..Hα-helixtrans-57.7-46.4-178.6-58.80000112.1M44 K52 T53 Y54 T60M44-S56 VanDerWaalsContact CG-OG 3.24Å; M44-S56 WeakPolarHBondContact CG-OG 3.33Å; K52-S56 WeakPolarHBondContact O-CB 3.45Å; K52-S56 PolarHBondContact O-N 2.92Å; K52-S56 PolarHBondContact O-OG 3.05Å; T53-S56 PolarHBondContact O-N 3.22Å; Y54-S56 VanDerWaalsContact C-N 3.33Å; Y54-S56 PolarHBondContact O-N 3.48Å; S56-T60 VanDerWaalsContact O-CB 3.24Å; S56-T60 WeakPolarHBondContact O-CB 3.3Å; S56-T60 PolarHBondContact O-N 2.63Å; S56-T60 PolarHBondContact O-OG1 2.91Å
57K93.1Very high93.5Very high86 Ų8620 Ų2037%0.37412%0.116SC..Hα-helixtrans-70.7-45.2179.8-76179174.1-100.90112.5T53 Y54 I55 L59 T60 R61 Y428T53-K57 HydrophobicContact CG2-CD 4.38Å; T53-K57 WeakPolarHBondContact O-CB 3.2Å; T53-K57 WeakPolarHBondContact O-CG 3.31Å; T53-K57 PolarHBondContact O-N 3.49Å; Y54-K57 PolarHBondContact O-N 3.3Å; I55-K57 PolarHBondContact O-N 2.73Å; K57-L59 PolarHBondContact O-N 2.7Å; K57-T60 PolarHBondContact O-N 3.42Å; K57-R61 WeakPolarHBondContact O-CB 3.48Å; K57-R61 PolarHBondContact O-N 3.27Å; K57-Y428 HydrophobicContact CD-CD1 3.62Å; K57-Y428 HydrophobicContact CD-CE1 4.26Å; K57-Y428 HydrophobicContact CD-CG 4.38Å
58K93.6Very high93.5Very high10 Ų1020.7 Ų20.74%0.04312%0.121CC..Hα-helixtrans-59.6-46.9176-89-154.1167.9-171.70111.7Y54 I55 R61 Y62 Y241 I245 E381Y54-K58 HydrophobicContact CE1-CD 3.93Å; Y54-K58 HydrophobicContact CE2-CD 4.07Å; Y54-K58 HydrophobicContact CE2-CG 4.33Å; Y54-K58 VanDerWaalsContact CZ-CE 3.44Å; Y54-K58 WeakPolarHBondContact O-CB 3.41Å; Y54-K58 PolarHBondContact O-N 3.08Å; Y54-K58 WeakPolarHBondContact OH-CE 3.4Å; Y54-K58 PolarHBondContact OH-NZ 2.97Å; I55-K58 PolarHBondContact O-N 2.73Å; K58-R61 WeakPolarHBondContact O-CB 3.19Å; K58-R61 PolarHBondContact O-N 3.16Å; K58-Y62 PolarHBondContact O-N 3.35Å; K58-Y241 HydrophobicContact CB-CE1 4.32Å; K58-Y241 PolarHBondContact O-OH 3.02Å; K58-I245 HydrophobicContact CD-CG2 4.45Å; K58-E381 IonicContact NZ-OE1 3.71Å; K58-E381 IonicContact NZ-OE2 2.68Å; K58-E381 PolarHBondContact NZ-OE2 2.82Å
59L95.4Very high93.7Very high0 Ų022.7 Ų22.70%013%0.134CC..Hα-helixtrans-63.6-44.8179.1-173.964.4000111.6I42 I55 K57 R61 Y62 L63 I238 Y241I42-L59 HydrophobicContact CD1-CD2 3.59Å; I55-L59 WeakPolarHBondContact O-CB 3.4Å; I55-L59 PolarHBondContact O-N 2.94Å; K57-L59 PolarHBondContact O-N 2.7Å; L59-R61 VanDerWaalsContact C-N 3.31Å; L59-R61 PolarHBondContact O-N 3.14Å; L59-Y62 HydrophobicContact CD1-CD1 4.35Å; L59-Y62 PolarHBondContact O-N 3.46Å; L59-L63 HydrophobicContact CD1-CD1 4.24Å; L59-L63 HydrophobicContact CD1-CG 4.27Å; L59-L63 HydrophobicContact CG-CD1 3.97Å; L59-L63 HydrophobicContact CG-CG 4.38Å; L59-L63 WeakPolarHBondContact O-CB 3.39Å; L59-L63 VanDerWaalsContact O-CG 3.29Å; L59-L63 WeakPolarHBondContact O-CG 3.08Å; L59-L63 PolarHBondContact O-N 3.25Å; L59-I238 HydrophobicContact CD1-CB 4.38Å; L59-I238 HydrophobicContact CD1-CG1 4.11Å; L59-I238 HydrophobicContact CD1-CG2 3.98Å; L59-I238 HydrophobicContact CD2-CG1 4.5Å; L59-I238 HydrophobicContact CD2-CG2 3.85Å; L59-Y241 HydrophobicContact CB-CE1 4.49Å; L59-Y241 HydrophobicContact CD1-CD1 3.65Å; L59-Y241 HydrophobicContact CD1-CE1 4.22Å; L59-Y241 HydrophobicContact CD1-CG 4.49Å
60T96.6Very high94.1Very high18 Ų1822.8 Ų22.811%0.1113%0.134CC..Hα-helixtrans-58.7-43.8175.7-62.20000111.5S56 K57 N64 T70S56-T60 VanDerWaalsContact O-CB 3.24Å; S56-T60 WeakPolarHBondContact O-CB 3.3Å; S56-T60 PolarHBondContact O-N 2.63Å; S56-T60 PolarHBondContact O-OG1 2.91Å; K57-T60 PolarHBondContact O-N 3.42Å; T60-N64 WeakPolarHBondContact CG2-ND2 3.31Å; T60-N64 WeakPolarHBondContact O-CB 3.42Å; T60-N64 PolarHBondContact O-N 3.36Å; T60-N64 PolarHBondContact O-ND2 2.98Å; T60-T70 HydrophobicContact CG2-CG2 4.01Å
61R95.8Very high94.5Very high16 Ų1627.8 Ų27.86%0.0615%0.153CC..Hα-helixtrans-63.1-48177.5-178.2174.275.9-177-3.2112.1K57 K58 L59 W65 E381 Y401 F402 D404K57-R61 WeakPolarHBondContact O-CB 3.48Å; K57-R61 PolarHBondContact O-N 3.27Å; K58-R61 WeakPolarHBondContact O-CB 3.19Å; K58-R61 PolarHBondContact O-N 3.16Å; L59-R61 VanDerWaalsContact C-N 3.31Å; L59-R61 PolarHBondContact O-N 3.14Å; R61-W65 VanDerWaalsContact O-CB 3.29Å; R61-W65 WeakPolarHBondContact O-CB 3.36Å; R61-W65 PolarHBondContact O-N 3.49Å; R61-E381 IonicContact NH2-OE1 3.49Å; R61-Y401 WeakPolarHBondContact CD-O 3.41Å; R61-Y401 WeakPolarHBondContact CG-O 3.31Å; R61-Y401 PolarHBondContact NE-O 3.26Å; R61-F402 PolarHBondContact NH1-O 3.21Å; R61-D404 HydrophobicContact CG-CB 4.1Å
62Y96.3Very high94.9Very high0 Ų028.7 Ų28.70%015%0.15CC..Hα-helixtrans-59-51.2176.7163.6-113.7000111.9K58 L59 N64 W65 I66 Y241 E374 M378 Y401K58-Y62 PolarHBondContact O-N 3.35Å; L59-Y62 HydrophobicContact CD1-CD1 4.35Å; L59-Y62 PolarHBondContact O-N 3.46Å; Y62-N64 PolarHBondContact O-N 3.37Å; Y62-W65 PolarHBondContact O-N 3.5Å; Y62-W65 VanDerWaalsContact O-N 3.13Å; Y62-I66 HydrophobicContact CD2-CG2 4Å; Y62-I66 HydrophobicContact CE1-CD1 4.19Å; Y62-I66 HydrophobicContact CE2-CD1 4.32Å; Y62-I66 HydrophobicContact CE2-CG2 3.5Å; Y62-I66 PolarHBondContact O-N 3.05Å; Y62-Y241 AromaticContact CD1-CD1 3.99Å; Y62-Y241 HydrophobicContact CD1-CD1 3.99Å; Y62-Y241 AromaticContact CD1-CD2 3.75Å; Y62-Y241 HydrophobicContact CD1-CD2 3.75Å; Y62-Y241 HydrophobicContact CD1-CE1 4.41Å; Y62-Y241 HydrophobicContact CD1-CE2 4.18Å; Y62-Y241 AromaticContact CD1-CG 3.61Å; Y62-Y241 HydrophobicContact CD1-CG 3.61Å; Y62-Y241 AromaticContact CD2-CD2 3.97Å; Y62-Y241 HydrophobicContact CD2-CD2 3.97Å; Y62-Y241 HydrophobicContact CD2-CE2 4.02Å; Y62-Y241 HydrophobicContact CE1-CD2 4.11Å; Y62-Y241 AromaticContact CE1-CG 3.94Å; Y62-Y241 HydrophobicContact CE1-CG 3.94Å; Y62-Y241 HydrophobicContact CE2-CD2 4.34Å; Y62-Y241 HydrophobicContact CG-CD1 4.38Å; Y62-Y241 AromaticContact CG-CD2 3.66Å; Y62-Y241 HydrophobicContact CG-CD2 3.66Å; Y62-Y241 HydrophobicContact CG-CE1 4.41Å; Y62-Y241 AromaticContact CG-CE2 3.68Å; Y62-Y241 HydrophobicContact CG-CE2 3.68Å; Y62-Y241 AromaticContact CG-CG 4Å; Y62-Y241 HydrophobicContact CG-CG 4Å; Y62-E374 HydrophobicContact CE2-CG 4.3Å; Y62-E374 PolarHBondContact OH-OE1 2.94Å; Y62-M378 HydrophobicContact CD2-CE 3.66Å; Y62-M378 HydrophobicContact CE2-CE 3.3Å; Y62-M378 HydrophobicContact CE2-SD 4.41Å; Y62-Y401 HydrophobicContact CD2-CE2 4.45Å
63L96.6Very high95.2Very high0 Ų028.1 Ų28.10%015%0.148CC..Hα-helixtrans-61.6-44.1-178.2-70.1177.2000111.8I42 L59 W65 I66 G67 V68 T70 V125 I234 I238I42-L63 HydrophobicContact CD1-CD1 4.5Å; L59-L63 HydrophobicContact CD1-CD1 4.24Å; L59-L63 HydrophobicContact CD1-CG 4.27Å; L59-L63 HydrophobicContact CG-CD1 3.97Å; L59-L63 HydrophobicContact CG-CG 4.38Å; L59-L63 WeakPolarHBondContact O-CB 3.39Å; L59-L63 VanDerWaalsContact O-CG 3.29Å; L59-L63 WeakPolarHBondContact O-CG 3.08Å; L59-L63 PolarHBondContact O-N 3.25Å; L63-W65 VanDerWaalsContact C-N 3.34Å; L63-W65 PolarHBondContact O-N 3.02Å; L63-I66 HydrophobicContact CD2-CD1 4.18Å; L63-I66 WeakPolarHBondContact O-CG1 3.5Å; L63-I66 PolarHBondContact O-N 3.2Å; L63-G67 PolarHBondContact O-N 3.24Å; L63-V68 CarbonylContact C-O 3.53Å; L63-V68 VanDerWaalsContact C-O 3.26Å; L63-V68 HydrophobicContact CB-CB 4.27Å; L63-V68 WeakPolarHBondContact O-CA 3.44Å; L63-V68 WeakPolarHBondContact O-CB 3.47Å; L63-V68 PolarHBondContact O-N 2.95Å; L63-V68 VanDerWaalsContact O-O 3.13Å; L63-T70 HydrophobicContact CB-CG2 4.27Å; L63-T70 WeakPolarHBondContact CB-OG1 3.36Å; L63-T70 HydrophobicContact CD1-CG2 3.95Å; L63-V125 HydrophobicContact CD1-CB 4.31Å; L63-V125 HydrophobicContact CD1-CG1 3.96Å; L63-V125 HydrophobicContact CD1-CG2 4.38Å; L63-I234 HydrophobicContact CD2-CD1 3.79Å; L63-I238 HydrophobicContact CD1-CG1 4.43Å; L63-I238 HydrophobicContact CD2-CG1 4.45Å
64N96.3Very high95.5Very high63 Ų6328.6 Ų28.634%0.33715%0.15SC..Hα-helixtrans-63.2-40.3174.6-78.7-58.1000112.3T60 Y62 I66 G67 V68 T70T60-N64 WeakPolarHBondContact CG2-ND2 3.31Å; T60-N64 WeakPolarHBondContact O-CB 3.42Å; T60-N64 PolarHBondContact O-N 3.36Å; T60-N64 PolarHBondContact O-ND2 2.98Å; Y62-N64 PolarHBondContact O-N 3.37Å; N64-I66 PolarHBondContact O-N 3.48Å; N64-G67 PolarHBondContact O-N 3.47Å; N64-V68 PolarHBondContact N-O 2.91Å; N64-T70 PolarHBondContact ND2-O 2.75Å; N64-T70 PolarHBondContact OD1-N 3.4Å; N64-T70 PolarHBondContact OD1-O 3.19Å
65W96.8Very high95.8Very high17 Ų1727.7 Ų27.76%0.06415%0.148CC..Hα-helixtrans-63-41.3-179.7-176.383000112.1R61 Y62 L63 G67 V370 L373 E374 I377 C397 Y401R61-W65 VanDerWaalsContact O-CB 3.29Å; R61-W65 WeakPolarHBondContact O-CB 3.36Å; R61-W65 PolarHBondContact O-N 3.49Å; Y62-W65 PolarHBondContact O-N 3.5Å; Y62-W65 VanDerWaalsContact O-N 3.13Å; L63-W65 VanDerWaalsContact C-N 3.34Å; L63-W65 PolarHBondContact O-N 3.02Å; W65-G67 PolarHBondContact O-N 2.89Å; W65-V370 HydrophobicContact CD2-CG1 4.09Å; W65-V370 HydrophobicContact CE3-CG1 4.06Å; W65-V370 HydrophobicContact CH2-CG1 4.13Å; W65-V370 VanDerWaalsContact CH2-O 3.27Å; W65-V370 WeakPolarHBondContact CH2-O 3.37Å; W65-V370 HydrophobicContact CZ2-CB 4.38Å; W65-V370 HydrophobicContact CZ2-CG1 4.18Å; W65-V370 HydrophobicContact CZ2-CG2 4.16Å; W65-V370 HydrophobicContact CZ3-CG1 4.06Å; W65-V370 WeakPolarHBondContact O-CG1 3.3Å; W65-L373 HydrophobicContact CH2-CB 3.85Å; W65-L373 HydrophobicContact CZ2-CB 4.31Å; W65-E374 HydrophobicContact CZ3-CB 4.29Å; W65-I377 HydrophobicContact CE3-CG1 4.38Å; W65-I377 HydrophobicContact CH2-CD1 4.45Å; W65-I377 HydrophobicContact CH2-CG1 3.5Å; W65-I377 VanDerWaalsContact CH2-CG1 3.5Å; W65-I377 HydrophobicContact CZ2-CD1 4.45Å; W65-I377 HydrophobicContact CZ2-CG1 3.94Å; W65-I377 HydrophobicContact CZ3-CB 4.39Å; W65-I377 HydrophobicContact CZ3-CG1 3.75Å; W65-C397 HydrophobicContact CZ2-CB 4.4Å; W65-C397 PolarHBondContact NE1-O 3.02Å; W65-Y401 HydrophobicContact CB-CD2 4.04Å; W65-Y401 HydrophobicContact CD2-CD2 4.02Å; W65-Y401 HydrophobicContact CD2-CG 4.48Å; W65-Y401 HydrophobicContact CE3-CD2 4.32Å; W65-Y401 AromaticContact CG-CD2 3.89Å; W65-Y401 HydrophobicContact CG-CD2 3.89Å; W65-Y401 HydrophobicContact CG-CG 4.44Å
66I95.3Very high95.7Very high10 Ų1028.1 Ų28.15%0.05116%0.155CC..THydrogen-bonded Turntrans-75.82.5174.665.5167.3000114Y62 L63 N64 V68 Q371 E374Y62-I66 HydrophobicContact CD2-CG2 4Å; Y62-I66 HydrophobicContact CE1-CD1 4.19Å; Y62-I66 HydrophobicContact CE2-CD1 4.32Å; Y62-I66 HydrophobicContact CE2-CG2 3.5Å; Y62-I66 PolarHBondContact O-N 3.05Å; L63-I66 HydrophobicContact CD2-CD1 4.18Å; L63-I66 WeakPolarHBondContact O-CG1 3.5Å; L63-I66 PolarHBondContact O-N 3.2Å; N64-I66 PolarHBondContact O-N 3.48Å; I66-V68 HydrophobicContact CD1-CG2 4.06Å; I66-V68 HydrophobicContact CG1-CG2 4.09Å; I66-Q371 PolarHBondContact O-NE2 3.03Å; I66-Q371 VanDerWaalsContact O-NE2 3.09Å; I66-E374 HydrophobicContact CG2-CG 4.3Å
67G93.7Very high95.7Very high52 Ų5231.8 Ų31.854%0.53617%0.172SC..THydrogen-bonded Turntrans89.621.1176.900000115.2L63 N64 W65 P69L63-G67 PolarHBondContact O-N 3.24Å; N64-G67 PolarHBondContact O-N 3.47Å; W65-G67 PolarHBondContact O-N 2.89Å; G67-P69 WeakPolarHBondContact O-CD 3.25Å
68V95.3Very high95.8Very high31 Ų3130 Ų3019%0.18816%0.164CC..  trans-101.4104172.5-178.50000109.7L63 N64 I66 T70 H124 V125 I234L63-V68 CarbonylContact C-O 3.53Å; L63-V68 VanDerWaalsContact C-O 3.26Å; L63-V68 HydrophobicContact CB-CB 4.27Å; L63-V68 WeakPolarHBondContact O-CA 3.44Å; L63-V68 WeakPolarHBondContact O-CB 3.47Å; L63-V68 PolarHBondContact O-N 2.95Å; L63-V68 VanDerWaalsContact O-O 3.13Å; N64-V68 PolarHBondContact N-O 2.91Å; I66-V68 HydrophobicContact CD1-CG2 4.06Å; I66-V68 HydrophobicContact CG1-CG2 4.09Å; V68-T70 PolarHBondContact O-N 3.41Å; V68-T70 PolarHBondContact O-OG1 3.24Å; V68-H124 HydrophobicContact CG1-CB 3.99Å; V68-V125 HydrophobicContact CG1-CG2 3.75Å; V68-I234 HydrophobicContact CG1-CD1 4.22Å; V68-I234 HydrophobicContact CG2-CD1 4.12Å
69P96.2Very high95.9Very high50 Ų5030.1 Ų30.133%0.32516%0.164SC..  trans-54.2109.3179.8-27.334000112.4G67 H124 V125G67-P69 WeakPolarHBondContact O-CD 3.25Å; P69-H124 WeakPolarHBondContact CD-ND1 2.82Å; P69-H124 PolarHBondContact O-N 3.21Å; P69-V125 PolarHBondContact O-N 3.35Å; P69-V125 VanDerWaalsContact O-N 3.11Å
70T97.6Very high95.7Very high9 Ų932.4 Ų32.46%0.05517%0.172CC..EExtended strand (participates in β ladder)trans-131139.4-172.1-55.60000111.6T60 L63 N64 V68 V125 V127T60-T70 HydrophobicContact CG2-CG2 4.01Å; L63-T70 HydrophobicContact CB-CG2 4.27Å; L63-T70 WeakPolarHBondContact CB-OG1 3.36Å; L63-T70 HydrophobicContact CD1-CG2 3.95Å; N64-T70 PolarHBondContact ND2-O 2.75Å; N64-T70 PolarHBondContact OD1-N 3.4Å; N64-T70 PolarHBondContact OD1-O 3.19Å; V68-T70 PolarHBondContact O-N 3.41Å; V68-T70 PolarHBondContact O-OG1 3.24Å; T70-V125 WeakPolarHBondContact CA-O 3.39Å; T70-V125 HydrophobicContact CG2-CB 3.91Å; T70-V125 HydrophobicContact CG2-CG1 3.97Å; T70-V125 WeakPolarHBondContact CG2-O 3.29Å; T70-V127 HydrophobicContact CG2-CG2 3.97Å
71R97.8Very high95.5Very high120 Ų12036.7 Ų36.745%0.45320%0.195SC..EExtended strand (participates in β ladder)trans-136.7137177.5-172.1173.1-179.7178.2-0112.3F73 F117 E121 V125 V127R71-F73 HydrophobicContact CB-CE2 3.86Å; R71-F73 HydrophobicContact CB-CZ 4.18Å; R71-F73 HydrophobicContact CG-CE2 3.97Å; R71-F73 HydrophobicContact CG-CZ 4Å; R71-F73 WeakPolarHBondContact O-CD2 3.3Å; R71-F73 WeakPolarHBondContact O-CE2 3.44Å; R71-F117 HydrophobicContact CB-CD1 4.01Å; R71-F117 HydrophobicContact CB-CD2 4.32Å; R71-F117 HydrophobicContact CB-CE1 3.61Å; R71-F117 HydrophobicContact CB-CE2 3.94Å; R71-F117 HydrophobicContact CB-CG 4.35Å; R71-F117 HydrophobicContact CB-CZ 3.57Å; R71-E121 IonicContact NH1-OE2 2.99Å; R71-V125 PolarHBondContact N-O 3.48Å; R71-V125 VanDerWaalsContact N-O 3.09Å; R71-V127 PolarHBondContact O-N 3.03Å
72E97Very high95.3Very high43 Ų4341 Ų4120%0.20122%0.216CC..EExtended strand (participates in β ladder)trans-84136171.9-172.9-145.2165.900111.1N74 V127 D129E72-N74 VanDerWaalsContact OE1-CB 3.29Å; E72-N74 WeakPolarHBondContact OE1-CB 3.3Å; E72-N74 PolarHBondContact OE1-ND2 3.18Å; E72-V127 CarbonylContact C-O 3.57Å; E72-V127 WeakPolarHBondContact CA-O 3.48Å; E72-D129 HydrophobicContact CG-CB 4.35Å
73F98Very high94.9Very high3 Ų343.3 Ų43.31%0.01323%0.23CC..EExtended strand (participates in β ladder)trans-119.688.2174.1-62.6-95.2000109.5R71 V75 D113 V114 F117 A126 V127 F128 D129R71-F73 HydrophobicContact CB-CE2 3.86Å; R71-F73 HydrophobicContact CB-CZ 4.18Å; R71-F73 HydrophobicContact CG-CE2 3.97Å; R71-F73 HydrophobicContact CG-CZ 4Å; R71-F73 WeakPolarHBondContact O-CD2 3.3Å; R71-F73 WeakPolarHBondContact O-CE2 3.44Å; F73-V75 PolarHBondContact O-N 3.39Å; F73-D113 HydrophobicContact CD1-CB 4.07Å; F73-D113 VanDerWaalsContact CE1-C 3.48Å; F73-D113 HydrophobicContact CE1-CB 3.78Å; F73-V114 HydrophobicContact CB-CG2 4.11Å; F73-V114 HydrophobicContact CD1-CG2 3.86Å; F73-V114 HydrophobicContact CD2-CG2 3.57Å; F73-V114 HydrophobicContact CE1-CG2 4.17Å; F73-V114 HydrophobicContact CE2-CG2 3.89Å; F73-V114 HydrophobicContact CG-CG2 3.56Å; F73-V114 HydrophobicContact CZ-CG2 4.19Å; F73-F117 HydrophobicContact CE2-CB 4.47Å; F73-F117 AromaticContact CE2-CD1 3.97Å; F73-F117 HydrophobicContact CE2-CD1 3.97Å; F73-F117 HydrophobicContact CE2-CG 4.41Å; F73-F117 HydrophobicContact CZ-CB 3.65Å; F73-F117 AromaticContact CZ-CD1 3.94Å; F73-F117 HydrophobicContact CZ-CD1 3.94Å; F73-F117 AromaticContact CZ-CG 3.91Å; F73-F117 HydrophobicContact CZ-CG 3.91Å; F73-A126 HydrophobicContact CD2-CB 4.01Å; F73-A126 HydrophobicContact CE2-CB 3.68Å; F73-V127 PolarHBondContact N-O 3.27Å; F73-F128 HydrophobicContact CB-CD2 4.4Å; F73-D129 PolarHBondContact O-N 2.98Å; F73-D129 VanDerWaalsContact O-N 3.09Å
74N95.7Very high94.1Very high29 Ų2952 Ų5216%0.15527%0.269CS..EExtended strand (participates in β ladder)trans-79.3103.1-178.3-162.2-76.6000112.1E72 G76 Q77 Y78 D129E72-N74 VanDerWaalsContact OE1-CB 3.29Å; E72-N74 WeakPolarHBondContact OE1-CB 3.3Å; E72-N74 PolarHBondContact OE1-ND2 3.18Å; N74-G76 PolarHBondContact O-N 3.04Å; N74-G76 VanDerWaalsContact O-N 3.1Å; N74-G76 VanDerWaalsContact OD1-CA 3.3Å; N74-G76 WeakPolarHBondContact OD1-CA 3.49Å; N74-G76 PolarHBondContact OD1-N 3.32Å; N74-G76 VanDerWaalsContact OD1-N 3.08Å; N74-Q77 HydrophobicContact CB-CB 4.15Å; N74-Q77 WeakPolarHBondContact O-CB 3.45Å; N74-Q77 PolarHBondContact O-N 3.48Å; N74-Q77 PolarHBondContact OD1-N 3.42Å; N74-Y78 VanDerWaalsContact O-CD2 3.25Å; N74-Y78 WeakPolarHBondContact O-CD2 3.17Å; N74-Y78 PolarHBondContact O-N 3.33Å; N74-D129 PolarHBondContact ND2-OD2 2.98Å
75V96.1Very high93.4Very high14 Ų1454 Ų549%0.08528%0.283CS..Hα-helixtrans-60.2-28-179-178.40000112F73 Q77 Y78 R79 C106 A107 A110 F128 D129 A130F73-V75 PolarHBondContact O-N 3.39Å; V75-Q77 VanDerWaalsContact C-N 3.28Å; V75-Q77 PolarHBondContact O-N 2.94Å; V75-Y78 PolarHBondContact O-N 2.88Å; V75-R79 PolarHBondContact O-N 3.46Å; V75-C106 HydrophobicContact CG1-CB 4.15Å; V75-A107 HydrophobicContact CG1-CB 4.33Å; V75-A110 HydrophobicContact CG2-CB 4.1Å; V75-F128 HydrophobicContact CG2-CD2 4.47Å; V75-F128 HydrophobicContact CG2-CE1 3.82Å; V75-F128 HydrophobicContact CG2-CE2 3.8Å; V75-F128 HydrophobicContact CG2-CZ 3.42Å; V75-F128 VanDerWaalsContact CG2-CZ 3.42Å; V75-D129 PolarHBondContact N-O 3Å; V75-A130 HydrophobicContact CB-CB 3.88Å; V75-A130 HydrophobicContact CG2-CB 3.7Å
76G92.8Very high92.9Very high20 Ų2054.2 Ų54.221%0.20628%0.284CS..Hα-helixtrans-60.2-35.5172.500000113.3N74 R79 R80N74-G76 PolarHBondContact O-N 3.04Å; N74-G76 VanDerWaalsContact O-N 3.1Å; N74-G76 VanDerWaalsContact OD1-CA 3.3Å; N74-G76 WeakPolarHBondContact OD1-CA 3.49Å; N74-G76 PolarHBondContact OD1-N 3.32Å; N74-G76 VanDerWaalsContact OD1-N 3.08Å; G76-R79 PolarHBondContact O-N 3.31Å; G76-R80 WeakPolarHBondContact O-CG 3.42Å; G76-R80 PolarHBondContact O-N 3.1Å
77Q92.9Very high92.4Very high77 Ų7761.8 Ų61.836%0.3632%0.316SS..Hα-helixtrans-70.2-41.9176.2-170.259.938.800112N74 V75 R79 R80 N81N74-Q77 HydrophobicContact CB-CB 4.15Å; N74-Q77 WeakPolarHBondContact O-CB 3.45Å; N74-Q77 PolarHBondContact O-N 3.48Å; N74-Q77 PolarHBondContact OD1-N 3.42Å; V75-Q77 VanDerWaalsContact C-N 3.28Å; V75-Q77 PolarHBondContact O-N 2.94Å; Q77-R79 VanDerWaalsContact C-N 3.28Å; Q77-R79 PolarHBondContact O-N 2.87Å; Q77-R80 PolarHBondContact O-N 3.3Å; Q77-R80 VanDerWaalsContact OE1-NE 3.15Å; Q77-N81 PolarHBondContact NE2-OD1 3.28Å; Q77-N81 VanDerWaalsContact O-CG 3.23Å; Q77-N81 PolarHBondContact O-N 2.98Å; Q77-N81 PolarHBondContact O-OD1 3.31Å
78Y96.4Very high92.2Very high49 Ų4960.2 Ų60.219%0.19230%0.297CS..Hα-helixtrans-58.7-43.3174-69.6-97.3000110.9N74 V75 N81 M82 A109 A110 D113N74-Y78 VanDerWaalsContact O-CD2 3.25Å; N74-Y78 WeakPolarHBondContact O-CD2 3.17Å; N74-Y78 PolarHBondContact O-N 3.33Å; V75-Y78 PolarHBondContact O-N 2.88Å; Y78-N81 PolarHBondContact O-N 3.03Å; Y78-M82 WeakPolarHBondContact O-CB 3.45Å; Y78-M82 PolarHBondContact O-N 3.5Å; Y78-A109 HydrophobicContact CD1-CB 4.1Å; Y78-A110 HydrophobicContact CD1-CB 4.42Å; Y78-A110 HydrophobicContact CD2-CB 3.82Å; Y78-A110 HydrophobicContact CE1-CB 4.25Å; Y78-A110 HydrophobicContact CE2-CB 3.65Å; Y78-A110 HydrophobicContact CG-CB 4.22Å; Y78-D113 VanDerWaalsContact CE1-OD2 3.31Å; Y78-D113 WeakPolarHBondContact CE1-OD2 3.42Å; Y78-D113 PolarHBondContact OH-OD2 3.14Å
79R95.1Very high92Very high11 Ų1160.3 Ų60.34%0.04230%0.295CS..Hα-helixtrans-61.5-45.3175.4-177.1-87.4-58.4177.45.7112.4V75 G76 Q77 N81 M82 V83 F91 C106 D178V75-R79 PolarHBondContact O-N 3.46Å; G76-R79 PolarHBondContact O-N 3.31Å; Q77-R79 VanDerWaalsContact C-N 3.28Å; Q77-R79 PolarHBondContact O-N 2.87Å; R79-N81 VanDerWaalsContact C-N 3.33Å; R79-N81 PolarHBondContact O-N 3.3Å; R79-M82 PolarHBondContact O-N 3.2Å; R79-V83 HydrophobicContact CG-CG2 4.19Å; R79-V83 WeakPolarHBondContact O-CG2 3.39Å; R79-V83 PolarHBondContact O-N 3.08Å; R79-F91 HydrophobicContact CG-CE1 3.87Å; R79-F91 HydrophobicContact CG-CZ 4.04Å; R79-C106 VanDerWaalsContact CA-SG 3.51Å; R79-D178 IonicContact CZ-OD1 3.48Å; R79-D178 VanDerWaalsContact CZ-OD1 3.29Å; R79-D178 IonicContact CZ-OD2 3.53Å; R79-D178 IonicContact NH1-OD1 2.66Å; R79-D178 PolarHBondContact NH1-OD1 3Å; R79-D178 IonicContact NH1-OD2 2.79Å; R79-D178 VanDerWaalsContact NH2-CG 3.29Å; R79-D178 IonicContact NH2-OD1 3.28Å; R79-D178 PolarHBondContact NH2-OD1 2.87Å; R79-D178 VanDerWaalsContact NH2-OD1 3.08Å; R79-D178 IonicContact NH2-OD2 3.51Å; R79-D178 PolarHBondContact NH2-OD2 3.41Å
80R92Very high91.8Very high49 Ų4963.2 Ų63.219%0.18530%0.304CS..Hα-helixtrans-60.8-42.3177.4-77.3-174.1-68.1-89.2-0.7112G76 Q77 M82 K84 D178G76-R80 WeakPolarHBondContact O-CG 3.42Å; G76-R80 PolarHBondContact O-N 3.1Å; Q77-R80 PolarHBondContact O-N 3.3Å; Q77-R80 VanDerWaalsContact OE1-NE 3.15Å; R80-M82 VanDerWaalsContact C-N 3.28Å; R80-M82 PolarHBondContact O-N 3.39Å; R80-K84 WeakPolarHBondContact O-CA 3Å; R80-K84 PolarHBondContact O-N 3.36Å; R80-D178 WeakPolarHBondContact CG-OD1 3.48Å; R80-D178 IonicContact NH1-OD2 2.68Å
81N92.3Very high91.6Very high108 Ų10864.2 Ų64.258%0.57831%0.308SS*.Hα-helixtrans-64-34.5177.4-66.3-4.8000112.2Q77 Y78 R79Q77-N81 PolarHBondContact NE2-OD1 3.28Å; Q77-N81 VanDerWaalsContact O-CG 3.23Å; Q77-N81 PolarHBondContact O-N 2.98Å; Q77-N81 PolarHBondContact O-OD1 3.31Å; Y78-N81 PolarHBondContact O-N 3.03Å; R79-N81 VanDerWaalsContact C-N 3.33Å; R79-N81 PolarHBondContact O-N 3.3Å
82M91Very high91.3Very high105 Ų10558.8 Ų58.852%0.51729%0.287SS..Hα-helixtrans-81.4-45.9-177.2-164.7168.6-150.200113.4Y78 R79 R80 I102Y78-M82 WeakPolarHBondContact O-CB 3.45Å; Y78-M82 PolarHBondContact O-N 3.5Å; R79-M82 PolarHBondContact O-N 3.2Å; R80-M82 VanDerWaalsContact C-N 3.28Å; R80-M82 PolarHBondContact O-N 3.39Å; M82-I102 HydrophobicContact SD-CG2 4.16Å
83V87.6Confident91Very high49 Ų4959.2 Ų59.230%0.29729%0.291SS..Hα-helixtrans-86.7-18.5-174.4-173.90000112.1R79 T85 F91 I102R79-V83 HydrophobicContact CG-CG2 4.19Å; R79-V83 WeakPolarHBondContact O-CG2 3.39Å; R79-V83 PolarHBondContact O-N 3.08Å; V83-T85 PolarHBondContact O-N 3.34Å; V83-F91 HydrophobicContact CG2-CE2 4.12Å; V83-F91 HydrophobicContact CG2-CZ 4.11Å; V83-I102 HydrophobicContact CG2-CD1 4.48Å; V83-I102 HydrophobicContact CG2-CG2 3.73Å
84K80.1Confident90.4Very high184 Ų18462.6 Ų62.680%0.831%0.313SS*.  trans61.1-47.7-176.9-61-174178.3-178.50115.6R80R80-K84 WeakPolarHBondContact O-CA 3Å; R80-K84 PolarHBondContact O-N 3.36Å
85T81.9Confident90Very high103 Ų10367.4 Ų67.463%0.63234%0.339SS*.SBendtrans-125.6122.5-176.4-50.40000110.4V83V83-T85 PolarHBondContact O-N 3.34Å
86Y86.1Confident89.8Confident23 Ų2368.9 Ų68.99%0.0935%0.346CS..  trans-82.8131.4172.4178.6-109.1000110.2S88 F89 F92 D178 Y179 D190Y86-S88 VanDerWaalsContact CE2-O 3.22Å; Y86-S88 WeakPolarHBondContact CE2-O 3.44Å; Y86-S88 VanDerWaalsContact CZ-C 3.45Å; Y86-S88 PolarHBondContact OH-O 3.2Å; Y86-F89 WeakPolarHBondContact OH-CA 3.31Å; Y86-F89 PolarHBondContact OH-N 3.38Å; Y86-F89 VanDerWaalsContact OH-N 3.11Å; Y86-F92 HydrophobicContact CD2-CE2 4.36Å; Y86-F92 HydrophobicContact CE2-CD2 4.19Å; Y86-F92 AromaticContact CE2-CE2 3.42Å; Y86-F92 HydrophobicContact CE2-CE2 3.42Å; Y86-F92 VanDerWaalsContact CE2-CE2 3.42Å; Y86-F92 HydrophobicContact CE2-CZ 4.21Å; Y86-F92 AromaticContact CZ-CE2 3.97Å; Y86-D178 HydrophobicContact CD1-CB 3.89Å; Y86-D178 WeakPolarHBondContact CD1-O 3.16Å; Y86-D178 HydrophobicContact CE1-CB 4.49Å; Y86-D178 HydrophobicContact CG-CB 4.07Å; Y86-Y179 HydrophobicContact CD1-CE1 4.46Å; Y86-Y179 AromaticContact CE1-CE1 3.77Å; Y86-Y179 HydrophobicContact CE1-CE1 3.77Å; Y86-Y179 AromaticContact CE1-CZ 3.79Å; Y86-Y179 PolarHBondContact OH-OH 2.93Å; Y86-D190 VanDerWaalsContact CE1-OD2 3.31Å; Y86-D190 WeakPolarHBondContact CE1-OD2 3.43Å; Y86-D190 PolarHBondContact OH-OD2 3.38Å
87K84.9Confident89.8Confident168 Ų16875.8 Ų75.873%0.7337%0.373SS*.  trans-104.3-52-179.3-70.7-170.4179.4-177.70113.4R182K87-R182 PolarHBondContact O-NH1 2.9Å; K87-R182 PolarHBondContact O-NH2 3.16Å
88S90.4Very high89.7Confident19 Ų1978.9 Ų78.913%0.13339%0.388CS..  trans-167.4168.6-174.557.30000110.3Y86 E90 F91 D190Y86-S88 VanDerWaalsContact CE2-O 3.22Å; Y86-S88 WeakPolarHBondContact CE2-O 3.44Å; Y86-S88 VanDerWaalsContact CZ-C 3.45Å; Y86-S88 PolarHBondContact OH-O 3.2Å; S88-E90 PolarHBondContact O-N 3.13Å; S88-E90 VanDerWaalsContact O-N 3.09Å; S88-E90 WeakPolarHBondContact OG-CB 3.32Å; S88-E90 WeakPolarHBondContact OG-CG 3.36Å; S88-E90 PolarHBondContact OG-OE2 3.41Å; S88-F91 PolarHBondContact O-N 3.16Å; S88-D190 VanDerWaalsContact CA-OD1 3.26Å; S88-D190 WeakPolarHBondContact CA-OD1 3.45Å
89F91.3Very high89.5Confident34 Ų3476.6 Ų76.615%0.14938%0.379CS..G310 helixtrans-56-21.2172.673.5-86.6000113Y86 F91 F92 L93 D190 R193 R194Y86-F89 WeakPolarHBondContact OH-CA 3.31Å; Y86-F89 PolarHBondContact OH-N 3.38Å; Y86-F89 VanDerWaalsContact OH-N 3.11Å; F89-F91 PolarHBondContact O-N 3.19Å; F89-F91 VanDerWaalsContact O-N 3.09Å; F89-F92 WeakPolarHBondContact O-CA 3.34Å; F89-F92 WeakPolarHBondContact O-CB 3.24Å; F89-F92 PolarHBondContact O-N 2.99Å; F89-L93 HydrophobicContact CE2-CD2 4.4Å; F89-D190 PolarHBondContact N-OD1 3.06Å; F89-R193 HydrophobicContact CB-CB 4.15Å; F89-R193 HydrophobicContact CD1-CB 3.81Å; F89-R193 HydrophobicContact CD1-CG 4.48Å; F89-R193 HydrophobicContact CD2-CB 3.7Å; F89-R193 HydrophobicContact CE1-CB 4.16Å; F89-R193 HydrophobicContact CE1-CG 4.43Å; F89-R193 HydrophobicContact CE2-CB 4.04Å; F89-R193 HydrophobicContact CG-CB 3.59Å; F89-R193 HydrophobicContact CZ-CB 4.27Å; F89-R194 HydrophobicContact CB-CB 3.91Å
90E92Very high89.3Confident110 Ų11080 Ų8051%0.51440%0.398SS..G310 helixtrans-57-26.6178.3-60.6169.7146.800112.6S88 F92 L93 N96S88-E90 PolarHBondContact O-N 3.13Å; S88-E90 VanDerWaalsContact O-N 3.09Å; S88-E90 WeakPolarHBondContact OG-CB 3.32Å; S88-E90 WeakPolarHBondContact OG-CG 3.36Å; S88-E90 PolarHBondContact OG-OE2 3.41Å; E90-F92 PolarHBondContact O-N 3.33Å; E90-L93 HydrophobicContact CB-CD1 3.98Å; E90-L93 HydrophobicContact CG-CD1 4.18Å; E90-L93 PolarHBondContact O-N 3.2Å; E90-N96 PolarHBondContact O-ND2 2.93Å
91F92.3Very high89.4Confident30 Ų3084.4 Ų84.413%0.13242%0.418CS..G310 helixtrans-59.6-26.4171.7-179.7-96.3000113.1R79 V83 S88 F89 N96 I102 R103R79-F91 HydrophobicContact CG-CE1 3.87Å; R79-F91 HydrophobicContact CG-CZ 4.04Å; V83-F91 HydrophobicContact CG2-CE2 4.12Å; V83-F91 HydrophobicContact CG2-CZ 4.11Å; S88-F91 PolarHBondContact O-N 3.16Å; F89-F91 PolarHBondContact O-N 3.19Å; F89-F91 VanDerWaalsContact O-N 3.09Å; F91-N96 WeakPolarHBondContact CA-ND2 3.17Å; F91-I102 HydrophobicContact CE2-CB 4.43Å; F91-I102 HydrophobicContact CE2-CD1 4.2Å; F91-I102 HydrophobicContact CE2-CG2 4.41Å; F91-I102 HydrophobicContact CZ-CB 4.19Å; F91-I102 HydrophobicContact CZ-CG2 3.96Å; F91-R103 HydrophobicContact CE1-CG 3.76Å; F91-R103 HydrophobicContact CZ-CG 4.12Å
92F92.1Very high89.5Confident6 Ų680.6 Ų80.63%0.02640%0.398CS..G310 helixtrans-98.6-4.6-176.6-61.1-68.5000114Y86 F89 E90 R103 R194 C197 Y198Y86-F92 HydrophobicContact CD2-CE2 4.36Å; Y86-F92 HydrophobicContact CE2-CD2 4.19Å; Y86-F92 AromaticContact CE2-CE2 3.42Å; Y86-F92 HydrophobicContact CE2-CE2 3.42Å; Y86-F92 VanDerWaalsContact CE2-CE2 3.42Å; Y86-F92 HydrophobicContact CE2-CZ 4.21Å; Y86-F92 AromaticContact CZ-CE2 3.97Å; F89-F92 WeakPolarHBondContact O-CA 3.34Å; F89-F92 WeakPolarHBondContact O-CB 3.24Å; F89-F92 PolarHBondContact O-N 2.99Å; E90-F92 PolarHBondContact O-N 3.33Å; F92-R103 PolarHBondContact O-NH2 3.44Å; F92-R194 HydrophobicContact CD2-CB 4.41Å; F92-R194 HydrophobicContact CD2-CG 3.61Å; F92-R194 VanDerWaalsContact CE2-CD 3.47Å; F92-R194 HydrophobicContact CE2-CG 4.02Å; F92-R194 HydrophobicContact CG-CG 4.15Å; F92-R194 VanDerWaalsContact CZ-NH2 3.26Å; F92-C197 HydrophobicContact CB-CB 4.27Å; F92-Y198 HydrophobicContact CB-CE2 4.18Å; F92-Y198 HydrophobicContact CD1-CE2 4.19Å; F92-Y198 AromaticContact CD1-CZ 3.97Å; F92-Y198 WeakPolarHBondContact CD1-OH 3.39Å; F92-Y198 WeakPolarHBondContact CE1-OH 3.26Å; F92-Y198 HydrophobicContact CG-CE2 4.26Å
93L90.2Very high89.6Confident52 Ų5277.3 Ų77.327%0.27238%0.38SS..  trans-57.6143.7178-71.4166.1000111F89 E90 D95 N96F89-L93 HydrophobicContact CE2-CD2 4.4Å; E90-L93 HydrophobicContact CB-CD1 3.98Å; E90-L93 HydrophobicContact CG-CD1 4.18Å; E90-L93 PolarHBondContact O-N 3.2Å; L93-D95 VanDerWaalsContact C-N 3.29Å; L93-D95 WeakPolarHBondContact CB-OD1 3.36Å; L93-D95 PolarHBondContact O-N 3.39Å; L93-N96 HydrophobicContact CB-CB 4.29Å; L93-N96 WeakPolarHBondContact O-CB 3.38Å; L93-N96 PolarHBondContact O-N 3.01Å
94P85Confident89.9Confident75 Ų7580.4 Ų80.449%0.48739%0.389SS..THydrogen-bonded Turntrans-63.7-32.1-179.4-22.333.3000114N96P94-N96 VanDerWaalsContact C-N 3.33Å
95D88.3Confident90.6Very high129 Ų12975.6 Ų75.669%0.6937%0.369SS*.THydrogen-bonded Turntrans-82.3-8.6179.662.1-16.2000113.4L93 E97L93-D95 VanDerWaalsContact C-N 3.29Å; L93-D95 WeakPolarHBondContact CB-OD1 3.36Å; L93-D95 PolarHBondContact O-N 3.39Å; D95-E97 PolarHBondContact O-N 3.18Å
96N91.3Very high91.3Very high45 Ų4570.9 Ų70.924%0.24134%0.34CS..  trans-76.387.7173.6-172.4-16.2000111.1E90 F91 L93 P94 E98 G99 L100E90-N96 PolarHBondContact O-ND2 2.93Å; F91-N96 WeakPolarHBondContact CA-ND2 3.17Å; L93-N96 HydrophobicContact CB-CB 4.29Å; L93-N96 WeakPolarHBondContact O-CB 3.38Å; L93-N96 PolarHBondContact O-N 3.01Å; P94-N96 VanDerWaalsContact C-N 3.33Å; N96-E98 VanDerWaalsContact C-N 3.33Å; N96-E98 PolarHBondContact O-N 2.91Å; N96-E98 PolarHBondContact OD1-N 3.1Å; N96-G99 PolarHBondContact O-N 2.72Å; N96-G99 PolarHBondContact OD1-N 3.07Å; N96-L100 WeakPolarHBondContact O-CB 3.46Å; N96-L100 PolarHBondContact O-N 3.18Å
97E92.1Very high91.8Very high165 Ų16570 Ų7077%0.77134%0.338SS*.Hα-helixtrans-57.3-41.5-179.5-68.5-168.9168.500113.2D95 L100 K101D95-E97 PolarHBondContact O-N 3.18Å; E97-L100 PolarHBondContact O-N 3.01Å; E97-K101 WeakPolarHBondContact O-CB 3.46Å; E97-K101 PolarHBondContact O-N 3.39Å
98E92.4Very high92.3Very high142 Ų14265.8 Ų65.866%0.66432%0.323SS*.Hα-helixtrans-65.3-47.4178.6-173.4179.7-175.800110.7N96 L100 K101 I102N96-E98 VanDerWaalsContact C-N 3.33Å; N96-E98 PolarHBondContact O-N 2.91Å; N96-E98 PolarHBondContact OD1-N 3.1Å; E98-L100 VanDerWaalsContact C-N 3.33Å; E98-L100 PolarHBondContact O-N 2.88Å; E98-K101 PolarHBondContact O-N 2.66Å; E98-I102 HydrophobicContact CG-CD1 3.97Å; E98-I102 WeakPolarHBondContact O-CG1 3.35Å; E98-I102 PolarHBondContact O-N 3.35Å
99G91.3Very high92.7Very high1 Ų166 Ų661%0.0133%0.326CS..Hα-helixtrans-60.5-40.9175.900000112.3N96 R103N96-G99 PolarHBondContact O-N 2.72Å; N96-G99 PolarHBondContact OD1-N 3.07Å; G99-R103 WeakPolarHBondContact O-CB 3.34Å; G99-R103 WeakPolarHBondContact O-CG 3.38Å; G99-R103 PolarHBondContact O-N 3.17Å; G99-R103 PolarHBondContact O-NE 2.89Å
100L90.7Very high93Very high84 Ų8464.3 Ų64.344%0.4432%0.319SS..Hα-helixtrans-63.9-45.8174.9-171.169.5000111.7N96 E97 E98 R103 K104N96-L100 WeakPolarHBondContact O-CB 3.46Å; N96-L100 PolarHBondContact O-N 3.18Å; E97-L100 PolarHBondContact O-N 3.01Å; E98-L100 VanDerWaalsContact C-N 3.33Å; E98-L100 PolarHBondContact O-N 2.88Å; L100-R103 PolarHBondContact O-N 3.43Å; L100-K104 WeakPolarHBondContact O-CB 3.41Å; L100-K104 PolarHBondContact O-N 3.42Å
101K93.5Very high93.3Very high141 Ų14159.5 Ų59.561%0.61330%0.296SS*.Hα-helixtrans-60.5-47177.9-173.9178.6-178.8179.50111.4E97 E98 K104 Q105E97-K101 WeakPolarHBondContact O-CB 3.46Å; E97-K101 PolarHBondContact O-N 3.39Å; E98-K101 PolarHBondContact O-N 2.66Å; K101-K104 PolarHBondContact O-N 2.78Å; K101-Q105 WeakPolarHBondContact O-CG 3.39Å; K101-Q105 PolarHBondContact O-N 2.94Å
102I94.2Very high93.6Very high28 Ų2865.8 Ų65.814%0.14432%0.319CS..Hα-helixtrans-62.4-46.5177.1-68.5168.8000110.6M82 V83 F91 E98 K104 Q105 C106M82-I102 HydrophobicContact SD-CG2 4.16Å; V83-I102 HydrophobicContact CG2-CD1 4.48Å; V83-I102 HydrophobicContact CG2-CG2 3.73Å; F91-I102 HydrophobicContact CE2-CB 4.43Å; F91-I102 HydrophobicContact CE2-CD1 4.2Å; F91-I102 HydrophobicContact CE2-CG2 4.41Å; F91-I102 HydrophobicContact CZ-CB 4.19Å; F91-I102 HydrophobicContact CZ-CG2 3.96Å; E98-I102 HydrophobicContact CG-CD1 3.97Å; E98-I102 WeakPolarHBondContact O-CG1 3.35Å; E98-I102 PolarHBondContact O-N 3.35Å; I102-K104 VanDerWaalsContact C-N 3.3Å; I102-K104 PolarHBondContact O-N 3.2Å; I102-Q105 PolarHBondContact O-N 3.46Å; I102-C106 PolarHBondContact O-N 2.94Å; I102-C106 PolarHBondContact O-SG 2.94Å
103R93.7Very high93.8Very high36 Ų3668.7 Ų68.714%0.13634%0.335CS..Hα-helixtrans-60.9-38.7177.8-74.7-176.2-64.3164.9-5.9112.2F91 F92 G99 L100 C106 A107 Y198F91-R103 HydrophobicContact CE1-CG 3.76Å; F91-R103 HydrophobicContact CZ-CG 4.12Å; F92-R103 PolarHBondContact O-NH2 3.44Å; G99-R103 WeakPolarHBondContact O-CB 3.34Å; G99-R103 WeakPolarHBondContact O-CG 3.38Å; G99-R103 PolarHBondContact O-N 3.17Å; G99-R103 PolarHBondContact O-NE 2.89Å; L100-R103 PolarHBondContact O-N 3.43Å; R103-C106 PolarHBondContact O-N 2.91Å; R103-A107 PolarHBondContact O-N 3.28Å; R103-Y198 PolarHBondContact NH1-OH 2.97Å
104K93.5Very high94.2Very high113 Ų11366.2 Ų66.249%0.49132%0.322SS..Hα-helixtrans-65.8-43.9175.2-169.2168.7-176.8166.60111.2L100 K101 I102 C106 A107 L108L100-K104 WeakPolarHBondContact O-CB 3.41Å; L100-K104 PolarHBondContact O-N 3.42Å; K101-K104 PolarHBondContact O-N 2.78Å; I102-K104 VanDerWaalsContact C-N 3.3Å; I102-K104 PolarHBondContact O-N 3.2Å; K104-C106 PolarHBondContact O-N 3.47Å; K104-A107 PolarHBondContact O-N 3.26Å; K104-L108 HydrophobicContact CG-CD1 4.5Å; K104-L108 WeakPolarHBondContact O-CG 3.31Å; K104-L108 PolarHBondContact O-N 3.07Å
105Q95.7Very high94.9Very high84 Ų8468.9 Ų68.939%0.39332%0.322SS..Hα-helixtrans-61.3-41.7175-73.4177.6-800112.5K101 I102 L108 A109K101-Q105 WeakPolarHBondContact O-CG 3.39Å; K101-Q105 PolarHBondContact O-N 2.94Å; I102-Q105 PolarHBondContact O-N 3.46Å; Q105-L108 PolarHBondContact O-N 3.45Å; Q105-A109 WeakPolarHBondContact O-CB 3.36Å; Q105-A109 PolarHBondContact O-N 2.91Å
106C96.7Very high95.3Very high3 Ų369.2 Ų69.22%0.0231%0.314CS..Hα-helixtrans-62.9-42.9176.3-66.40000111.9V75 R79 I102 R103 K104 A109 A110V75-C106 HydrophobicContact CG1-CB 4.15Å; R79-C106 VanDerWaalsContact CA-SG 3.51Å; I102-C106 PolarHBondContact O-N 2.94Å; I102-C106 PolarHBondContact O-SG 2.94Å; R103-C106 PolarHBondContact O-N 2.91Å; K104-C106 PolarHBondContact O-N 3.47Å; C106-A109 PolarHBondContact O-N 3.39Å; C106-A110 PolarHBondContact O-N 2.98Å
107A96.2Very high95.7Very high6 Ų668 Ų685%0.0531%0.306CS..Hα-helixtrans-62.6-43.7175.900000111.6V75 R103 K104 A109 A110 L111 F128V75-A107 HydrophobicContact CG1-CB 4.33Å; R103-A107 PolarHBondContact O-N 3.28Å; K104-A107 PolarHBondContact O-N 3.26Å; A107-A109 PolarHBondContact O-N 3.43Å; A107-A110 PolarHBondContact O-N 2.83Å; A107-L111 WeakPolarHBondContact O-CG 3.37Å; A107-L111 PolarHBondContact O-N 3.17Å; A107-F128 HydrophobicContact CB-CZ 4.29Å
108L96.3Very high95.9Very high78 Ų7860.5 Ų60.541%0.40827%0.272SS..Hα-helixtrans-64.7-38176.1-69.6172.1000112.5K104 Q105 L111 R112K104-L108 HydrophobicContact CG-CD1 4.5Å; K104-L108 WeakPolarHBondContact O-CG 3.31Å; K104-L108 PolarHBondContact O-N 3.07Å; Q105-L108 PolarHBondContact O-N 3.45Å; L108-L111 PolarHBondContact O-N 3.33Å; L108-R112 WeakPolarHBondContact O-CG 3.39Å; L108-R112 PolarHBondContact O-N 3.3Å
109A97.6Very high96Very high23 Ų2357.1 Ų57.119%0.1926%0.264CS..Hα-helixtrans-62.6-46.7174.400000111.3Y78 Q105 C106 A107 L111 R112 D113Y78-A109 HydrophobicContact CD1-CB 4.1Å; Q105-A109 WeakPolarHBondContact O-CB 3.36Å; Q105-A109 PolarHBondContact O-N 2.91Å; C106-A109 PolarHBondContact O-N 3.39Å; A107-A109 PolarHBondContact O-N 3.43Å; A109-L111 VanDerWaalsContact C-N 3.33Å; A109-L111 PolarHBondContact O-N 3.33Å; A109-R112 WeakPolarHBondContact O-CB 3.41Å; A109-R112 PolarHBondContact O-N 2.82Å; A109-D113 PolarHBondContact O-N 3.36Å
110A98.1Very high96.2Very high0 Ų063.6 Ų63.60%029%0.294CS..Hα-helixtrans-60.9-40.1175.600000112.3V75 Y78 C106 A107 R112 D113 V114 F128V75-A110 HydrophobicContact CG2-CB 4.1Å; Y78-A110 HydrophobicContact CD1-CB 4.42Å; Y78-A110 HydrophobicContact CD2-CB 3.82Å; Y78-A110 HydrophobicContact CE1-CB 4.25Å; Y78-A110 HydrophobicContact CE2-CB 3.65Å; Y78-A110 HydrophobicContact CG-CB 4.22Å; C106-A110 PolarHBondContact O-N 2.98Å; A107-A110 PolarHBondContact O-N 2.83Å; A110-R112 PolarHBondContact O-N 2.76Å; A110-D113 PolarHBondContact O-N 3.11Å; A110-V114 WeakPolarHBondContact O-CG2 3.38Å; A110-V114 PolarHBondContact O-N 3.13Å; A110-F128 HydrophobicContact CB-CD2 4.44Å; A110-F128 HydrophobicContact CB-CE2 3.63Å; A110-F128 HydrophobicContact CB-CZ 4.38Å
111L98.1Very high96.5Very high8 Ų863.7 Ų63.74%0.04229%0.292CS..Hα-helixtrans-65-35.2175.5-71175.1000112.8A107 L108 A109 D113 V114 R115 F128 I141 F144A107-L111 WeakPolarHBondContact O-CG 3.37Å; A107-L111 PolarHBondContact O-N 3.17Å; L108-L111 PolarHBondContact O-N 3.33Å; A109-L111 VanDerWaalsContact C-N 3.33Å; A109-L111 PolarHBondContact O-N 3.33Å; L111-D113 VanDerWaalsContact C-N 3.32Å; L111-D113 PolarHBondContact O-N 2.79Å; L111-V114 WeakPolarHBondContact O-CB 3.38Å; L111-V114 PolarHBondContact O-N 3.11Å; L111-R115 PolarHBondContact O-N 3.42Å; L111-F128 HydrophobicContact CD2-CD2 3.94Å; L111-F128 HydrophobicContact CD2-CE2 3.63Å; L111-F128 HydrophobicContact CD2-CZ 4.06Å; L111-F128 HydrophobicContact CG-CE2 3.8Å; L111-F128 HydrophobicContact CG-CZ 4.06Å; L111-I141 HydrophobicContact CD2-CG2 4.37Å; L111-F144 HydrophobicContact CB-CD2 4.22Å; L111-F144 HydrophobicContact CB-CE1 4.31Å; L111-F144 HydrophobicContact CB-CE2 3.92Å; L111-F144 HydrophobicContact CB-CZ 3.97Å; L111-F144 HydrophobicContact CD1-CB 4.49Å; L111-F144 HydrophobicContact CD1-CD2 4.41Å; L111-F144 HydrophobicContact CD1-CG 4.24Å; L111-F144 HydrophobicContact CD2-CD1 3.76Å; L111-F144 HydrophobicContact CD2-CE1 3.86Å; L111-F144 HydrophobicContact CD2-CG 4.22Å; L111-F144 HydrophobicContact CD2-CZ 4.39Å; L111-F144 WeakPolarHBondContact O-CZ 3.49Å
112R97.9Very high96.4Very high162 Ų16259.3 Ų59.361%0.61129%0.287SS*.Hα-helixtrans-61.8-42.2172.7-73.8-172.6-65.7-112.11.9111.7L108 A109 A110 V114 R115 R116L108-R112 WeakPolarHBondContact O-CG 3.39Å; L108-R112 PolarHBondContact O-N 3.3Å; A109-R112 WeakPolarHBondContact O-CB 3.41Å; A109-R112 PolarHBondContact O-N 2.82Å; A110-R112 PolarHBondContact O-N 2.76Å; R112-V114 VanDerWaalsContact C-N 3.34Å; R112-R115 PolarHBondContact O-N 3.09Å; R112-R116 PolarHBondContact O-N 3.32Å
113D98.4Very high96.5Very high67 Ų6758.1 Ų58.136%0.35828%0.281SS..Hα-helixtrans-70.7-32.7178.4-67.5-10.4000111.7F73 Y78 A109 A110 L111 R116 F117F73-D113 HydrophobicContact CD1-CB 4.07Å; F73-D113 VanDerWaalsContact CE1-C 3.48Å; F73-D113 HydrophobicContact CE1-CB 3.78Å; Y78-D113 VanDerWaalsContact CE1-OD2 3.31Å; Y78-D113 WeakPolarHBondContact CE1-OD2 3.42Å; Y78-D113 PolarHBondContact OH-OD2 3.14Å; A109-D113 PolarHBondContact O-N 3.36Å; A110-D113 PolarHBondContact O-N 3.11Å; L111-D113 VanDerWaalsContact C-N 3.32Å; L111-D113 PolarHBondContact O-N 2.79Å; D113-R116 PolarHBondContact O-N 3.27Å; D113-F117 WeakPolarHBondContact O-CB 3.33Å; D113-F117 PolarHBondContact O-N 2.7Å
114V98.5Very high96.6Very high0 Ų060.6 Ų60.60%029%0.294CS..Hα-helixtrans-58.3-49.5168.5165.70000110.7L41 F73 A110 L111 R112 R116 F117 L118 A126 F128 F144L41-V114 HydrophobicContact CD1-CG1 3.9Å; L41-V114 HydrophobicContact CD1-CG2 4.47Å; F73-V114 HydrophobicContact CB-CG2 4.11Å; F73-V114 HydrophobicContact CD1-CG2 3.86Å; F73-V114 HydrophobicContact CD2-CG2 3.57Å; F73-V114 HydrophobicContact CE1-CG2 4.17Å; F73-V114 HydrophobicContact CE2-CG2 3.89Å; F73-V114 HydrophobicContact CG-CG2 3.56Å; F73-V114 HydrophobicContact CZ-CG2 4.19Å; A110-V114 WeakPolarHBondContact O-CG2 3.38Å; A110-V114 PolarHBondContact O-N 3.13Å; L111-V114 WeakPolarHBondContact O-CB 3.38Å; L111-V114 PolarHBondContact O-N 3.11Å; R112-V114 VanDerWaalsContact C-N 3.34Å; V114-R116 PolarHBondContact O-N 3.45Å; V114-F117 PolarHBondContact O-N 2.76Å; V114-L118 HydrophobicContact CG1-CD1 3.87Å; V114-L118 HydrophobicContact CG1-CG 4.34Å; V114-L118 WeakPolarHBondContact O-CG 3.29Å; V114-L118 PolarHBondContact O-N 2.78Å; V114-A126 HydrophobicContact CB-CB 4.48Å; V114-A126 HydrophobicContact CG1-CB 3.81Å; V114-A126 HydrophobicContact CG2-CB 4.16Å; V114-F128 HydrophobicContact CG2-CD2 4.2Å; V114-F144 HydrophobicContact CG1-CE1 4.03Å; V114-F144 HydrophobicContact CG1-CZ 4.48Å
115R98Very high96.8Very high131 Ų13155.3 Ų55.349%0.49427%0.271SS..Hα-helixtrans-58.6-48.8178.9172.9179.7166.7167.9-2.7111.1L111 R112 F117 L118 S119 F144 N148 Y150L111-R115 PolarHBondContact O-N 3.42Å; R112-R115 PolarHBondContact O-N 3.09Å; R115-F117 VanDerWaalsContact C-N 3.32Å; R115-F117 PolarHBondContact O-N 2.9Å; R115-L118 PolarHBondContact O-N 2.82Å; R115-S119 VanDerWaalsContact O-CB 3.26Å; R115-S119 WeakPolarHBondContact O-CB 3.44Å; R115-S119 PolarHBondContact O-N 2.69Å; R115-F144 HydrophobicContact CB-CE2 4.43Å; R115-F144 HydrophobicContact CB-CZ 3.93Å; R115-N148 WeakPolarHBondContact CD-OD1 3.33Å; R115-Y150 WeakPolarHBondContact CA-OH 3.25Å; R115-Y150 PolarHBondContact O-OH 3Å
116R98.1Very high96.9Very high136 Ų13651.3 Ų51.351%0.51325%0.253SS..Hα-helixtrans-56.2-48.4177.6177.2178.3163.8165.25.7110.9R112 D113 V114 E120 E121R112-R116 PolarHBondContact O-N 3.32Å; D113-R116 PolarHBondContact O-N 3.27Å; V114-R116 PolarHBondContact O-N 3.45Å; R116-E120 WeakPolarHBondContact O-CA 3.14Å; R116-E120 VanDerWaalsContact O-CB 3.24Å; R116-E120 WeakPolarHBondContact O-CB 3.39Å; R116-E120 PolarHBondContact O-N 2.9Å; R116-E121 HydrophobicContact CG-CG 4.3Å; R116-E121 IonicContact CZ-OE1 3.54Å; R116-E121 IonicContact NE-OE1 2.73Å; R116-E121 PolarHBondContact NE-OE1 2.85Å; R116-E121 IonicContact NH2-OE1 3.66Å; R116-E121 PolarHBondContact NH2-OE1 3.34Å; R116-E121 PolarHBondContact O-N 2.76Å
117F98.2Very high97Very high19 Ų1951.1 Ų51.18%0.08325%0.252CS..Hα-helixtrans-62.7-48.7-179.4175.2-112000113.3R71 F73 D113 V114 R115 E121 G123 V125 A126R71-F117 HydrophobicContact CB-CD1 4.01Å; R71-F117 HydrophobicContact CB-CD2 4.32Å; R71-F117 HydrophobicContact CB-CE1 3.61Å; R71-F117 HydrophobicContact CB-CE2 3.94Å; R71-F117 HydrophobicContact CB-CG 4.35Å; R71-F117 HydrophobicContact CB-CZ 3.57Å; F73-F117 HydrophobicContact CE2-CB 4.47Å; F73-F117 AromaticContact CE2-CD1 3.97Å; F73-F117 HydrophobicContact CE2-CD1 3.97Å; F73-F117 HydrophobicContact CE2-CG 4.41Å; F73-F117 HydrophobicContact CZ-CB 3.65Å; F73-F117 AromaticContact CZ-CD1 3.94Å; F73-F117 HydrophobicContact CZ-CD1 3.94Å; F73-F117 AromaticContact CZ-CG 3.91Å; F73-F117 HydrophobicContact CZ-CG 3.91Å; D113-F117 WeakPolarHBondContact O-CB 3.33Å; D113-F117 PolarHBondContact O-N 2.7Å; V114-F117 PolarHBondContact O-N 2.76Å; R115-F117 VanDerWaalsContact C-N 3.32Å; R115-F117 PolarHBondContact O-N 2.9Å; F117-E121 HydrophobicContact CD2-CB 4.21Å; F117-E121 PolarHBondContact O-N 3.43Å; F117-G123 WeakPolarHBondContact O-CA 3.35Å; F117-G123 PolarHBondContact O-N 2.73Å; F117-V125 WeakPolarHBondContact CE1-O 3.3Å; F117-A126 HydrophobicContact CD1-CB 4.41Å
118L96.9Very high97.1Very high9 Ų950.9 Ų50.95%0.04725%0.249CC..Hα-helixtrans-76-31.6-175.8-64.9-176.1000113.6P39 V114 R115 A126 Y150P39-L118 HydrophobicContact CB-CB 4.05Å; P39-L118 HydrophobicContact CB-CD1 4.11Å; P39-L118 HydrophobicContact CB-CD2 4.03Å; P39-L118 HydrophobicContact CB-CG 4.28Å; P39-L118 HydrophobicContact CG-CB 4.48Å; V114-L118 HydrophobicContact CG1-CD1 3.87Å; V114-L118 HydrophobicContact CG1-CG 4.34Å; V114-L118 WeakPolarHBondContact O-CG 3.29Å; V114-L118 PolarHBondContact O-N 2.78Å; R115-L118 PolarHBondContact O-N 2.82Å; L118-A126 HydrophobicContact CD1-CB 3.82Å; L118-A126 HydrophobicContact CD2-CB 3.92Å; L118-A126 HydrophobicContact CG-CB 3.95Å; L118-Y150 HydrophobicContact CB-CD1 4.44Å; L118-Y150 HydrophobicContact CB-CE1 3.85Å; L118-Y150 HydrophobicContact CB-CE2 4.39Å; L118-Y150 HydrophobicContact CD1-CD1 4.18Å; L118-Y150 HydrophobicContact CD1-CD2 3.86Å; L118-Y150 HydrophobicContact CD1-CE1 4.28Å; L118-Y150 HydrophobicContact CD1-CE2 3.96Å; L118-Y150 HydrophobicContact CD1-CG 3.99Å
119S95.5Very high97.2Very high70 Ų7047.4 Ų47.449%0.4923%0.231SC..Hα-helixtrans-98.9-25.6-176.7-68.60000114.5R115 Y150R115-S119 VanDerWaalsContact O-CB 3.26Å; R115-S119 WeakPolarHBondContact O-CB 3.44Å; R115-S119 PolarHBondContact O-N 2.69Å; S119-Y150 PolarHBondContact OG-OH 2.77Å
120E95.4Very high97.1Very high137 Ų13747 Ų4764%0.6423%0.227SC*.THydrogen-bonded Turntrans-119.9-34.2-170.1-53.9171.4-161.600112.9R116R116-E120 WeakPolarHBondContact O-CA 3.14Å; R116-E120 VanDerWaalsContact O-CB 3.24Å; R116-E120 WeakPolarHBondContact O-CB 3.39Å; R116-E120 PolarHBondContact O-N 2.9Å
121E96Very high97Very high87 Ų8748.4 Ų48.441%0.40724%0.236SC..SBendtrans-96.42.9-173.7-55.9-178.1171.900114R71 R116 F117 G123R71-E121 IonicContact NH1-OE2 2.99Å; R116-E121 HydrophobicContact CG-CG 4.3Å; R116-E121 IonicContact CZ-OE1 3.54Å; R116-E121 IonicContact NE-OE1 2.73Å; R116-E121 PolarHBondContact NE-OE1 2.85Å; R116-E121 IonicContact NH2-OE1 3.66Å; R116-E121 PolarHBondContact NH2-OE1 3.34Å; R116-E121 PolarHBondContact O-N 2.76Å; F117-E121 HydrophobicContact CD2-CB 4.21Å; F117-E121 PolarHBondContact O-N 3.43Å; E121-G123 VanDerWaalsContact C-N 3.34Å
122G92.1Very high96.9Very high49 Ų4948.1 Ų48.151%0.50524%0.235SC..  trans76.418.5-17900000114.5H124G122-H124 PolarHBondContact O-ND1 2.88Å
123G95.6Very high96.8Very high3 Ų340.7 Ų40.73%0.03121%0.207CC..  trans-66.2141.3172.400000112.2F117 E121F117-G123 WeakPolarHBondContact O-CA 3.35Å; F117-G123 PolarHBondContact O-N 2.73Å; E121-G123 VanDerWaalsContact C-N 3.34Å
124H95.5Very high96.7Very high87 Ų8739.3 Ų39.340%0.40320%0.201SC..  trans-105.9-35.1177.3-7490.8000112.5P39 T40 V68 P69 G122P39-H124 CarbonylContact C-O 3.57Å; P39-H124 VanDerWaalsContact CA-O 3.29Å; P39-H124 WeakPolarHBondContact CA-O 3.38Å; T40-H124 PolarHBondContact N-O 3.38Å; V68-H124 HydrophobicContact CG1-CB 3.99Å; P69-H124 WeakPolarHBondContact CD-ND1 2.82Å; P69-H124 PolarHBondContact O-N 3.21Å; G122-H124 PolarHBondContact O-ND1 2.88Å
125V97.9Very high96.6Very high2 Ų242.9 Ų42.91%0.01222%0.215CC..EExtended strand (participates in β ladder)trans-131.9126.2-179.3-177.90000110.9T40 I42 L63 V68 P69 T70 R71 F117 I234T40-V125 CarbonylContact O-C 3.57Å; T40-V125 VanDerWaalsContact O-CA 3.3Å; T40-V125 WeakPolarHBondContact O-CA 3.47Å; I42-V125 HydrophobicContact CD1-CG1 3.55Å; I42-V125 HydrophobicContact CG1-CG1 3.81Å; L63-V125 HydrophobicContact CD1-CB 4.31Å; L63-V125 HydrophobicContact CD1-CG1 3.96Å; L63-V125 HydrophobicContact CD1-CG2 4.38Å; V68-V125 HydrophobicContact CG1-CG2 3.75Å; P69-V125 PolarHBondContact O-N 3.35Å; P69-V125 VanDerWaalsContact O-N 3.11Å; T70-V125 WeakPolarHBondContact CA-O 3.39Å; T70-V125 HydrophobicContact CG2-CB 3.91Å; T70-V125 HydrophobicContact CG2-CG1 3.97Å; T70-V125 WeakPolarHBondContact CG2-O 3.29Å; R71-V125 PolarHBondContact N-O 3.48Å; R71-V125 VanDerWaalsContact N-O 3.09Å; F117-V125 WeakPolarHBondContact CE1-O 3.3Å; V125-I234 HydrophobicContact CG2-CG1 4.21Å
126A98.5Very high96.4Very high0 Ų043 Ų430%022%0.221CC..EExtended strand (participates in β ladder)trans-109.4128.517200000109.6T40 L41 I42 F73 V114 F117 L118T40-A126 PolarHBondContact O-N 3.3Å; L41-A126 HydrophobicContact CD1-CB 4.09Å; I42-A126 PolarHBondContact N-O 2.94Å; F73-A126 HydrophobicContact CD2-CB 4.01Å; F73-A126 HydrophobicContact CE2-CB 3.68Å; V114-A126 HydrophobicContact CB-CB 4.48Å; V114-A126 HydrophobicContact CG1-CB 3.81Å; V114-A126 HydrophobicContact CG2-CB 4.16Å; F117-A126 HydrophobicContact CD1-CB 4.41Å; L118-A126 HydrophobicContact CD1-CB 3.82Å; L118-A126 HydrophobicContact CD2-CB 3.92Å; L118-A126 HydrophobicContact CG-CB 3.95Å
127V98.5Very high96.3Very high0 Ų039.2 Ų39.20%021%0.207CC..EExtended strand (participates in β ladder)trans-101.9106.9175.7-173.40000109.3I42 M44 T70 R71 E72 F73 D129I42-V127 HydrophobicContact CB-CG2 4.32Å; I42-V127 HydrophobicContact CD1-CG2 4.27Å; I42-V127 HydrophobicContact CG2-CG1 4.36Å; M44-V127 HydrophobicContact CG-CG1 4.1Å; M44-V127 HydrophobicContact SD-CG1 4.1Å; T70-V127 HydrophobicContact CG2-CG2 3.97Å; R71-V127 PolarHBondContact O-N 3.03Å; E72-V127 CarbonylContact C-O 3.57Å; E72-V127 WeakPolarHBondContact CA-O 3.48Å; F73-V127 PolarHBondContact N-O 3.27Å; V127-D129 PolarHBondContact O-N 3.48Å
128F98.5Very high96.2Very high0 Ų038.5 Ų38.50%020%0.204CC..EExtended strand (participates in β ladder)trans-87.692.4179.1-166.6-100.2000110.4L41 I42 M44 F73 V75 A107 A110 L111 V114 A130 I141L41-F128 HydrophobicContact CD1-CB 3.96Å; I42-F128 WeakPolarHBondContact O-CB 3.38Å; I42-F128 PolarHBondContact O-N 3.05Å; M44-F128 PolarHBondContact N-O 3.42Å; M44-F128 VanDerWaalsContact N-O 3.11Å; F73-F128 HydrophobicContact CB-CD2 4.4Å; V75-F128 HydrophobicContact CG2-CD2 4.47Å; V75-F128 HydrophobicContact CG2-CE1 3.82Å; V75-F128 HydrophobicContact CG2-CE2 3.8Å; V75-F128 HydrophobicContact CG2-CZ 3.42Å; V75-F128 VanDerWaalsContact CG2-CZ 3.42Å; A107-F128 HydrophobicContact CB-CZ 4.29Å; A110-F128 HydrophobicContact CB-CD2 4.44Å; A110-F128 HydrophobicContact CB-CE2 3.63Å; A110-F128 HydrophobicContact CB-CZ 4.38Å; L111-F128 HydrophobicContact CD2-CD2 3.94Å; L111-F128 HydrophobicContact CD2-CE2 3.63Å; L111-F128 HydrophobicContact CD2-CZ 4.06Å; L111-F128 HydrophobicContact CG-CE2 3.8Å; L111-F128 HydrophobicContact CG-CZ 4.06Å; V114-F128 HydrophobicContact CG2-CD2 4.2Å; F128-A130 HydrophobicContact CD1-CB 4.48Å; F128-A130 HydrophobicContact CE1-CB 4.18Å; F128-A130 PolarHBondContact O-N 3.15Å; F128-I141 HydrophobicContact CD1-CD1 3.96Å; F128-I141 HydrophobicContact CE1-CD1 3.67Å; F128-I141 HydrophobicContact CE1-CG1 4.39Å
129D97.4Very high96.2Very high6 Ų640.3 Ų40.33%0.03222%0.22CC..EExtended strand (participates in β ladder)trans-84.9102.1-179.1-176.320.1000111.2M44 T53 E72 F73 N74 V75 V127M44-D129 HydrophobicContact CG-CB 4.34Å; T53-D129 WeakPolarHBondContact CA-OD2 3.01Å; T53-D129 VanDerWaalsContact CB-OD2 3.3Å; T53-D129 WeakPolarHBondContact CB-OD2 3.22Å; T53-D129 PolarHBondContact OG1-OD2 3.37Å; E72-D129 HydrophobicContact CG-CB 4.35Å; F73-D129 PolarHBondContact O-N 2.98Å; F73-D129 VanDerWaalsContact O-N 3.09Å; N74-D129 PolarHBondContact ND2-OD2 2.98Å; V75-D129 PolarHBondContact N-O 3Å; V127-D129 PolarHBondContact O-N 3.48Å
130A96.2Very high96.3Very high13 Ų1339.9 Ų39.911%0.10722%0.215CC..SBendtrans-150.4179.7169.700000110.3K52 V75 F128K52-A130 WeakPolarHBondContact CD-O 3.29Å; K52-A130 WeakPolarHBondContact CE-O 3.45Å; V75-A130 HydrophobicContact CB-CB 3.88Å; V75-A130 HydrophobicContact CG2-CB 3.7Å; F128-A130 HydrophobicContact CD1-CB 4.48Å; F128-A130 HydrophobicContact CE1-CB 4.18Å; F128-A130 PolarHBondContact O-N 3.15Å
131T95.5Very high96.4Very high31 Ų3133.4 Ų33.419%0.1918%0.184CC..  trans-70.2-44.3176.450.60000112.4V45 G46 P48 T133 Y198V45-T131 CarbonylContact C-O 3.57Å; V45-T131 WeakPolarHBondContact CA-O 3.3Å; G46-T131 PolarHBondContact N-O 3.27Å; G46-T131 WeakPolarHBondContact O-CA 3.34Å; P48-T131 HydrophobicContact CG-CG2 4.22Å; T131-T133 PolarHBondContact O-N 3.11Å; T131-Y198 HydrophobicContact CG2-CD1 4.14Å; T131-Y198 HydrophobicContact CG2-CE1 3.95Å; T131-Y198 WeakPolarHBondContact OG1-CE1 3.43Å
132N97.2Very high96.5Very high1 Ų131.9 Ų31.91%0.00518%0.177CC..  trans44.138.4179.5-56.1-42.5000113.8V43 M44 V45 T134 R137 R138 I141V43-N132 HydrophobicContact CG1-CB 4.28Å; V43-N132 WeakPolarHBondContact CG1-ND2 3.24Å; M44-N132 WeakPolarHBondContact O-CB 3.29Å; M44-N132 PolarHBondContact O-ND2 2.86Å; V45-N132 HydrophobicContact CG2-CB 4.28Å; N132-T134 VanDerWaalsContact C-N 3.34Å; N132-T134 PolarHBondContact O-N 3.5Å; N132-R137 HydrophobicContact CB-CG 4.38Å; N132-R137 WeakPolarHBondContact OD1-CG 3.4Å; N132-R138 HydrophobicContact CB-CG 4.39Å; N132-R138 WeakPolarHBondContact O-CG 3.4Å; N132-R138 PolarHBondContact O-NH1 3.39Å; N132-I141 HydrophobicContact CB-CD1 4.48Å; N132-I141 VanDerWaalsContact OD1-CD1 3.31Å; N132-I141 WeakPolarHBondContact OD1-CD1 3.23Å
133T95.5Very high96.7Very high6 Ų633.2 Ų33.24%0.03717%0.172CC..  trans-76.1-17.6-170.443.20000113.7L47 T131 R138 Y202 E203L47-T133 HydrophobicContact CD2-CG2 4.23Å; T131-T133 PolarHBondContact O-N 3.11Å; T133-R138 PolarHBondContact O-NH1 2.95Å; T133-Y202 HydrophobicContact CG2-CD2 3.61Å; T133-Y202 HydrophobicContact CG2-CE2 4.11Å; T133-Y202 HydrophobicContact CG2-CG 4.17Å; T133-E203 PolarHBondContact O-N 2.93Å
134T95.4Very high96.8Very high38 Ų3834.6 Ų34.623%0.23318%0.177CC..SBendtrans-100.4147.2178.368.40000111.8N132 E136 R137 R138 S201 E203N132-T134 VanDerWaalsContact C-N 3.34Å; N132-T134 PolarHBondContact O-N 3.5Å; T134-E136 VanDerWaalsContact C-N 3.35Å; T134-E136 PolarHBondContact O-N 2.93Å; T134-R137 PolarHBondContact O-N 2.76Å; T134-R137 VanDerWaalsContact OG1-CB 3.3Å; T134-R137 WeakPolarHBondContact OG1-CB 3.41Å; T134-R137 PolarHBondContact OG1-N 2.86Å; T134-R138 PolarHBondContact O-N 2.77Å; T134-R138 VanDerWaalsContact O-N 3.13Å; T134-S201 WeakPolarHBondContact CG2-O 3.48Å; T134-E203 WeakPolarHBondContact CA-OE2 3.47Å
135R96Very high96.9Very high76 Ų7630.4 Ų30.429%0.28716%0.158SC..Hα-helixtrans-63-39.5175.1-75.9179.1174156.12.1112.4R137 R138 A139 E203R135-R137 VanDerWaalsContact C-N 3.27Å; R135-R137 PolarHBondContact O-N 3.09Å; R135-R138 PolarHBondContact O-N 2.9Å; R135-R138 VanDerWaalsContact O-N 3.14Å; R135-A139 WeakPolarHBondContact O-CB 3.48Å; R135-A139 PolarHBondContact O-N 2.87Å; R135-E203 HydrophobicContact CG-CB 4.06Å; R135-E203 PolarHBondContact N-OE2 3.04Å
136E94.9Very high96.7Very high134 Ų13436 Ų3663%0.62618%0.184SC*.Hα-helixtrans-55.4-44.4175.6-171.5-155.4153.300111.3T134 T140T134-E136 VanDerWaalsContact C-N 3.35Å; T134-E136 PolarHBondContact O-N 2.93Å; E136-T140 PolarHBondContact O-N 2.99Å; E136-T140 PolarHBondContact O-OG1 3.12Å
137R95.1Very high96.6Very high55 Ų5543.6 Ų43.621%0.20822%0.219CC..Hα-helixtrans-65.8-45.1177.9178.660.767.788.63.7111.2N132 T134 R135 T140 I141N132-R137 HydrophobicContact CB-CG 4.38Å; N132-R137 WeakPolarHBondContact OD1-CG 3.4Å; T134-R137 PolarHBondContact O-N 2.76Å; T134-R137 VanDerWaalsContact OG1-CB 3.3Å; T134-R137 WeakPolarHBondContact OG1-CB 3.41Å; T134-R137 PolarHBondContact OG1-N 2.86Å; R135-R137 VanDerWaalsContact C-N 3.27Å; R135-R137 PolarHBondContact O-N 3.09Å; R137-T140 WeakPolarHBondContact O-CB 3.38Å; R137-T140 PolarHBondContact O-N 2.85Å; R137-I141 HydrophobicContact CG-CD1 3.99Å; R137-I141 WeakPolarHBondContact O-CG1 3.41Å; R137-I141 PolarHBondContact O-N 3.04Å; R137-I141 VanDerWaalsContact O-N 3.11Å
138R97.5Very high96.5Very high4 Ų445.4 Ų45.42%0.01523%0.229CC..Hα-helixtrans-63.3-43.1179.1-67.5-164.4-62.2-92.214.5111.9N132 T133 T134 R135 T140 I141 F142 F154 E203 S204 D210N132-R138 HydrophobicContact CB-CG 4.39Å; N132-R138 WeakPolarHBondContact O-CG 3.4Å; N132-R138 PolarHBondContact O-NH1 3.39Å; T133-R138 PolarHBondContact O-NH1 2.95Å; T134-R138 PolarHBondContact O-N 2.77Å; T134-R138 VanDerWaalsContact O-N 3.13Å; R135-R138 PolarHBondContact O-N 2.9Å; R135-R138 VanDerWaalsContact O-N 3.14Å; R138-T140 VanDerWaalsContact C-N 3.32Å; R138-T140 PolarHBondContact O-N 2.86Å; R138-I141 PolarHBondContact O-N 3.36Å; R138-F142 WeakPolarHBondContact O-CB 3.26Å; R138-F142 PolarHBondContact O-N 3.38Å; R138-F154 HydrophobicContact CB-CE1 3.88Å; R138-F154 HydrophobicContact CB-CZ 4.29Å; R138-F154 HydrophobicContact CG-CD1 4.44Å; R138-F154 HydrophobicContact CG-CE1 3.93Å; R138-E203 VanDerWaalsContact CZ-O 3.24Å; R138-E203 PolarHBondContact NH1-O 3.12Å; R138-E203 PolarHBondContact NH2-O 2.77Å; R138-S204 PolarHBondContact NH2-O 2.94Å; R138-D210 IonicContact NH2-OD2 2.7Å
139A97Very high96.3Very high47 Ų4747.6 Ų47.639%0.38825%0.252SS..Hα-helixtrans-60.1-41.4174.800000111.8R135 I141 F142 N143R135-A139 WeakPolarHBondContact O-CB 3.48Å; R135-A139 PolarHBondContact O-N 2.87Å; A139-I141 VanDerWaalsContact C-N 3.34Å; A139-I141 PolarHBondContact O-N 2.89Å; A139-F142 PolarHBondContact O-N 3.42Å; A139-N143 WeakPolarHBondContact O-CB 3.39Å; A139-N143 PolarHBondContact O-N 3.5Å; A139-N143 PolarHBondContact O-ND2 2.86Å
140T96.6Very high96.2Very high62 Ų6247.9 Ų47.938%0.3825%0.252SS..Hα-helixtrans-59.9-43.7175.1-58.30000111.9E136 R137 R138 F144E136-T140 PolarHBondContact O-N 2.99Å; E136-T140 PolarHBondContact O-OG1 3.12Å; R137-T140 WeakPolarHBondContact O-CB 3.38Å; R137-T140 PolarHBondContact O-N 2.85Å; R138-T140 VanDerWaalsContact C-N 3.32Å; R138-T140 PolarHBondContact O-N 2.86Å; T140-F144 WeakPolarHBondContact O-CB 3.35Å; T140-F144 PolarHBondContact O-N 2.82Å; T140-F144 VanDerWaalsContact O-N 3.07Å
141I97.7Very high96.2Very high1 Ų149.6 Ų49.61%0.00526%0.257CS..Hα-helixtrans-72.1-39.6-179.5-61.7164.1000110.9L41 V43 L111 F128 N132 R137 R138 A139 F144 G145L41-I141 HydrophobicContact CD2-CG2 3.77Å; V43-I141 HydrophobicContact CG1-CD1 4.01Å; V43-I141 HydrophobicContact CG1-CG2 4.29Å; V43-I141 HydrophobicContact CG2-CG2 3.53Å; L111-I141 HydrophobicContact CD2-CG2 4.37Å; F128-I141 HydrophobicContact CD1-CD1 3.96Å; F128-I141 HydrophobicContact CE1-CD1 3.67Å; F128-I141 HydrophobicContact CE1-CG1 4.39Å; N132-I141 HydrophobicContact CB-CD1 4.48Å; N132-I141 VanDerWaalsContact OD1-CD1 3.31Å; N132-I141 WeakPolarHBondContact OD1-CD1 3.23Å; R137-I141 HydrophobicContact CG-CD1 3.99Å; R137-I141 WeakPolarHBondContact O-CG1 3.41Å; R137-I141 PolarHBondContact O-N 3.04Å; R137-I141 VanDerWaalsContact O-N 3.11Å; R138-I141 PolarHBondContact O-N 3.36Å; A139-I141 VanDerWaalsContact C-N 3.34Å; A139-I141 PolarHBondContact O-N 2.89Å; I141-F144 WeakPolarHBondContact O-CB 3.49Å; I141-F144 PolarHBondContact O-N 3.32Å; I141-G145 PolarHBondContact O-N 2.86Å
142F97.3Very high96.3Very high55 Ų5548.7 Ų48.724%0.24125%0.252CS..Hα-helixtrans-60.3-50175.6-175.3-93.6000111.3R138 A139 F144 G145 E146 T152 F154 L213R138-F142 WeakPolarHBondContact O-CB 3.26Å; R138-F142 PolarHBondContact O-N 3.38Å; A139-F142 PolarHBondContact O-N 3.42Å; F142-F144 VanDerWaalsContact C-N 3.27Å; F142-F144 PolarHBondContact O-N 3.44Å; F142-G145 WeakPolarHBondContact O-CA 3.5Å; F142-G145 PolarHBondContact O-N 2.99Å; F142-E146 HydrophobicContact CD1-CG 4.15Å; F142-E146 HydrophobicContact CE1-CG 3.75Å; F142-E146 VanDerWaalsContact CE1-OE2 3.24Å; F142-E146 WeakPolarHBondContact CE1-OE2 3.24Å; F142-E146 HydrophobicContact CZ-CG 4.16Å; F142-E146 PolarHBondContact O-N 3.12Å; F142-T152 HydrophobicContact CD2-CG2 4.15Å; F142-F154 HydrophobicContact CB-CZ 4.39Å; F142-F154 HydrophobicContact CD2-CE2 4.18Å; F142-F154 HydrophobicContact CD2-CZ 4.45Å; F142-L213 HydrophobicContact CD2-CD2 3.75Å; F142-L213 HydrophobicContact CE2-CD2 3.6Å; F142-L213 HydrophobicContact CG-CD2 4.38Å; F142-L213 HydrophobicContact CZ-CD2 4.12Å
143N97.2Very high96.4Very high76 Ų7648.6 Ų48.641%0.40625%0.251SS..Hα-helixtrans-59.8-38.3176.2-69.6-15.2000111.8A139 G145 E146 Q147A139-N143 WeakPolarHBondContact O-CB 3.39Å; A139-N143 PolarHBondContact O-N 3.5Å; A139-N143 PolarHBondContact O-ND2 2.86Å; N143-G145 VanDerWaalsContact C-N 3.35Å; N143-E146 PolarHBondContact O-N 2.73Å; N143-Q147 WeakPolarHBondContact O-CB 3.36Å; N143-Q147 WeakPolarHBondContact O-CG 3.42Å; N143-Q147 PolarHBondContact O-N 3.33Å
144F97.8Very high96.5Very high32 Ų3248.3 Ų48.314%0.1425%0.25CC..Hα-helixtrans-61.4-43172.6168.3-87.2000111.6L41 L111 V114 R115 T140 I141 F142 N148 Y150L41-F144 HydrophobicContact CD2-CD1 3.98Å; L41-F144 HydrophobicContact CD2-CE1 4.23Å; L111-F144 HydrophobicContact CB-CD2 4.22Å; L111-F144 HydrophobicContact CB-CE1 4.31Å; L111-F144 HydrophobicContact CB-CE2 3.92Å; L111-F144 HydrophobicContact CB-CZ 3.97Å; L111-F144 HydrophobicContact CD1-CB 4.49Å; L111-F144 HydrophobicContact CD1-CD2 4.41Å; L111-F144 HydrophobicContact CD1-CG 4.24Å; L111-F144 HydrophobicContact CD2-CD1 3.76Å; L111-F144 HydrophobicContact CD2-CE1 3.86Å; L111-F144 HydrophobicContact CD2-CG 4.22Å; L111-F144 HydrophobicContact CD2-CZ 4.39Å; L111-F144 WeakPolarHBondContact O-CZ 3.49Å; V114-F144 HydrophobicContact CG1-CE1 4.03Å; V114-F144 HydrophobicContact CG1-CZ 4.48Å; R115-F144 HydrophobicContact CB-CE2 4.43Å; R115-F144 HydrophobicContact CB-CZ 3.93Å; T140-F144 WeakPolarHBondContact O-CB 3.35Å; T140-F144 PolarHBondContact O-N 2.82Å; T140-F144 VanDerWaalsContact O-N 3.07Å; I141-F144 WeakPolarHBondContact O-CB 3.49Å; I141-F144 PolarHBondContact O-N 3.32Å; F142-F144 VanDerWaalsContact C-N 3.27Å; F142-F144 PolarHBondContact O-N 3.44Å; F144-N148 PolarHBondContact O-N 2.83Å; F144-N148 PolarHBondContact O-ND2 2.53Å; F144-Y150 HydrophobicContact CE1-CD2 4.26Å; F144-Y150 HydrophobicContact CE1-CE2 4.05Å; F144-Y150 HydrophobicContact CZ-CE2 4.36Å
145G96.4Very high96.6Very high0 Ų046.5 Ų46.50%024%0.238CC..Hα-helixtrans-58.8-52.4174.700000111.9I141 F142 N143 Q147 N148 G149 Y150I141-G145 PolarHBondContact O-N 2.86Å; F142-G145 WeakPolarHBondContact O-CA 3.5Å; F142-G145 PolarHBondContact O-N 2.99Å; N143-G145 VanDerWaalsContact C-N 3.35Å; G145-Q147 PolarHBondContact O-N 3.07Å; G145-N148 PolarHBondContact O-N 3.11Å; G145-G149 PolarHBondContact O-N 2.9Å; G145-G149 VanDerWaalsContact O-N 3.11Å; G145-Y150 CarbonylContact C-O 3.57Å; G145-Y150 PolarHBondContact O-N 3.25Å
146E95.2Very high96.7Very high119 Ų11942.9 Ų42.956%0.55623%0.225SC*.Hα-helixtrans-59.1-46.2179.7-71.2-163.7113.400112.8F142 N143 N148 G149F142-E146 HydrophobicContact CD1-CG 4.15Å; F142-E146 HydrophobicContact CE1-CG 3.75Å; F142-E146 VanDerWaalsContact CE1-OE2 3.24Å; F142-E146 WeakPolarHBondContact CE1-OE2 3.24Å; F142-E146 HydrophobicContact CZ-CG 4.16Å; F142-E146 PolarHBondContact O-N 3.12Å; N143-E146 PolarHBondContact O-N 2.73Å; E146-N148 PolarHBondContact O-N 3.42Å; E146-N148 VanDerWaalsContact O-N 3.17Å; E146-G149 PolarHBondContact O-N 3Å
147Q96.5Very high96.8Very high159 Ų15936.9 Ų36.974%0.74320%0.198SC*.Hα-helixtrans-60.8-26.9-179.8-75.7171.912.500113.6N143 G145N143-Q147 WeakPolarHBondContact O-CB 3.36Å; N143-Q147 WeakPolarHBondContact O-CG 3.42Å; N143-Q147 PolarHBondContact O-N 3.33Å; G145-Q147 PolarHBondContact O-N 3.07Å
148N96Very high96.8Very high39 Ų3935.3 Ų35.321%0.20919%0.193CC..THydrogen-bonded Turntrans-103.15.4179-64-87.2000112.8R115 F144 G145 E146 Y150R115-N148 WeakPolarHBondContact CD-OD1 3.33Å; F144-N148 PolarHBondContact O-N 2.83Å; F144-N148 PolarHBondContact O-ND2 2.53Å; G145-N148 PolarHBondContact O-N 3.11Å; E146-N148 PolarHBondContact O-N 3.42Å; E146-N148 VanDerWaalsContact O-N 3.17Å; N148-Y150 HydrophobicContact CB-CD1 4.31Å; N148-Y150 HydrophobicContact CB-CD2 3.79Å; N148-Y150 HydrophobicContact CB-CE1 3.9Å; N148-Y150 HydrophobicContact CB-CE2 3.34Å; N148-Y150 HydrophobicContact CB-CG 4.24Å; N148-Y150 WeakPolarHBondContact O-CD1 3.43Å; N148-Y150 VanDerWaalsContact O-CE1 3.3Å; N148-Y150 WeakPolarHBondContact O-CE1 3.42Å
149G94.7Very high96.5Very high46 Ų4635.4 Ų35.447%0.47419%0.194SC..THydrogen-bonded Turntrans72.125.4179.600000114.2G145 E146G145-G149 PolarHBondContact O-N 2.9Å; G145-G149 VanDerWaalsContact O-N 3.11Å; E146-G149 PolarHBondContact O-N 3Å
150Y95.6Very high96.1Very high11 Ų1138.3 Ų38.34%0.04321%0.207CC..  trans-94.4142.7176.7-47.9-33000110.9P39 R115 L118 S119 F144 G145 N148P39-Y150 HydrophobicContact CB-CD1 4.04Å; P39-Y150 HydrophobicContact CG-CD1 4.23Å; P39-Y150 HydrophobicContact CG-CE1 4.45Å; P39-Y150 CarbonylContact O-C 3.25Å; P39-Y150 VanDerWaalsContact O-CA 3.29Å; P39-Y150 WeakPolarHBondContact O-CA 3.29Å; R115-Y150 WeakPolarHBondContact CA-OH 3.25Å; R115-Y150 PolarHBondContact O-OH 3Å; L118-Y150 HydrophobicContact CB-CD1 4.44Å; L118-Y150 HydrophobicContact CB-CE1 3.85Å; L118-Y150 HydrophobicContact CB-CE2 4.39Å; L118-Y150 HydrophobicContact CD1-CD1 4.18Å; L118-Y150 HydrophobicContact CD1-CD2 3.86Å; L118-Y150 HydrophobicContact CD1-CE1 4.28Å; L118-Y150 HydrophobicContact CD1-CE2 3.96Å; L118-Y150 HydrophobicContact CD1-CG 3.99Å; S119-Y150 PolarHBondContact OG-OH 2.77Å; F144-Y150 HydrophobicContact CE1-CD2 4.26Å; F144-Y150 HydrophobicContact CE1-CE2 4.05Å; F144-Y150 HydrophobicContact CZ-CE2 4.36Å; G145-Y150 CarbonylContact C-O 3.57Å; G145-Y150 PolarHBondContact O-N 3.25Å; N148-Y150 HydrophobicContact CB-CD1 4.31Å; N148-Y150 HydrophobicContact CB-CD2 3.79Å; N148-Y150 HydrophobicContact CB-CE1 3.9Å; N148-Y150 HydrophobicContact CB-CE2 3.34Å; N148-Y150 HydrophobicContact CB-CG 4.24Å; N148-Y150 WeakPolarHBondContact O-CD1 3.43Å; N148-Y150 VanDerWaalsContact O-CE1 3.3Å; N148-Y150 WeakPolarHBondContact O-CE1 3.42Å
151K95.7Very high95.8Very high50 Ų5038.1 Ų38.122%0.21720%0.204CC..EExtended strand (participates in β ladder)trans-76137.4167.2-65.3-179.3-173.5179.80109.2C38 P39 T40 L41 D232C38-K151 HydrophobicContact CB-CG 4.17Å; P39-K151 PolarHBondContact O-N 3.5Å; T40-K151 CarbonylContact C-O 3.57Å; T40-K151 WeakPolarHBondContact CA-O 3.14Å; L41-K151 PolarHBondContact N-O 2.98Å; K151-D232 WeakPolarHBondContact CD-OD2 3.29Å; K151-D232 IonicContact NZ-OD2 3.26Å; K151-D232 PolarHBondContact NZ-OD2 3.38Å
152T97.1Very high95.3Very high11 Ų1142.8 Ų42.87%0.06723%0.234CC..EExtended strand (participates in β ladder)trans-105.3130.9176.9-55.20000110L41 V43 F142 F154L41-T152 WeakPolarHBondContact O-CA 3.26Å; V43-T152 HydrophobicContact CG2-CG2 3.78Å; F142-T152 HydrophobicContact CD2-CG2 4.15Å; T152-F154 HydrophobicContact CG2-CD2 4.21Å; T152-F154 HydrophobicContact CG2-CE1 4.39Å; T152-F154 HydrophobicContact CG2-CE2 3.57Å; T152-F154 HydrophobicContact CG2-CZ 3.68Å
153F98.3Very high94.9Very high0 Ų047.8 Ų47.80%026%0.258CS..EExtended strand (participates in β ladder)trans-130.4120.2176.4-175.6-113.9000110.3T40 L41 I42 V43 V155 S214 I216 Q235 I238 V239T40-F153 HydrophobicContact CG2-CB 4.26Å; L41-F153 PolarHBondContact O-N 3.33Å; I42-F153 CarbonylContact C-O 3.56Å; I42-F153 VanDerWaalsContact CA-O 3.26Å; I42-F153 WeakPolarHBondContact CA-O 3.48Å; V43-F153 PolarHBondContact N-O 2.99Å; F153-V155 HydrophobicContact CD1-CG2 3.95Å; F153-V155 HydrophobicContact CE1-CG2 3.78Å; F153-S214 WeakPolarHBondContact CA-O 3.17Å; F153-I216 HydrophobicContact CE1-CG2 3.8Å; F153-I216 HydrophobicContact CZ-CB 4.07Å; F153-I216 HydrophobicContact CZ-CG2 3.65Å; F153-Q235 HydrophobicContact CB-CG 4.13Å; F153-Q235 HydrophobicContact CD2-CB 4.25Å; F153-Q235 HydrophobicContact CD2-CG 3.84Å; F153-Q235 HydrophobicContact CE2-CB 4.34Å; F153-Q235 HydrophobicContact CE2-CG 4.42Å; F153-Q235 HydrophobicContact CG-CG 3.92Å; F153-I238 HydrophobicContact CD1-CG2 4.23Å; F153-I238 HydrophobicContact CE1-CB 4.36Å; F153-I238 HydrophobicContact CE1-CG2 3.7Å; F153-V239 HydrophobicContact CZ-CG2 3.77Å
154F98.6Very high94.3Very high0 Ų045.8 Ų45.80%025%0.248CC..EExtended strand (participates in β ladder)trans-92.4136.2-178.5-61.2-95000111.6V43 V45 R138 F142 T152 L205 L213 S214 Y215 I216V43-F154 HydrophobicContact CB-CD1 3.59Å; V43-F154 HydrophobicContact CB-CE1 3.78Å; V43-F154 HydrophobicContact CB-CG 4.36Å; V43-F154 HydrophobicContact CG1-CD1 3.78Å; V43-F154 HydrophobicContact CG1-CE1 3.76Å; V43-F154 HydrophobicContact CG2-CD1 4.35Å; V43-F154 HydrophobicContact CG2-CE1 4.13Å; V43-F154 WeakPolarHBondContact O-CA 3.39Å; V45-F154 HydrophobicContact CG2-CB 4.42Å; V45-F154 HydrophobicContact CG2-CD1 3.85Å; R138-F154 HydrophobicContact CB-CE1 3.88Å; R138-F154 HydrophobicContact CB-CZ 4.29Å; R138-F154 HydrophobicContact CG-CD1 4.44Å; R138-F154 HydrophobicContact CG-CE1 3.93Å; F142-F154 HydrophobicContact CB-CZ 4.39Å; F142-F154 HydrophobicContact CD2-CE2 4.18Å; F142-F154 HydrophobicContact CD2-CZ 4.45Å; T152-F154 HydrophobicContact CG2-CD2 4.21Å; T152-F154 HydrophobicContact CG2-CE1 4.39Å; T152-F154 HydrophobicContact CG2-CE2 3.57Å; T152-F154 HydrophobicContact CG2-CZ 3.68Å; F154-L205 HydrophobicContact CB-CD1 3.81Å; F154-L213 HydrophobicContact CD2-CB 4.35Å; F154-L213 HydrophobicContact CD2-CD1 4.28Å; F154-L213 HydrophobicContact CE2-CB 4.36Å; F154-L213 HydrophobicContact CE2-CD1 3.85Å; F154-L213 HydrophobicContact CE2-CD2 4.34Å; F154-L213 HydrophobicContact CE2-CG 4.42Å; F154-L213 HydrophobicContact CZ-CD1 4.37Å; F154-S214 PolarHBondContact N-O 3.18Å; F154-Y215 CarbonylContact O-C 3.53Å; F154-Y215 WeakPolarHBondContact O-CA 3.35Å; F154-Y215 WeakPolarHBondContact O-CB 3.47Å; F154-I216 PolarHBondContact O-N 3.48Å
155V98.3Very high93.8Very high0 Ų045.1 Ų45.10%025%0.246CC..EExtended strand (participates in β ladder)trans-120.9101.5173.8179.80000107.8I42 V43 M44 V45 I55 F153 I216 I218 L242I42-V155 HydrophobicContact CG2-CB 4.48Å; I42-V155 HydrophobicContact CG2-CG2 3.74Å; V43-V155 PolarHBondContact O-N 2.94Å; M44-V155 CarbonylContact C-O 3.53Å; M44-V155 WeakPolarHBondContact CA-O 3.45Å; M44-V155 HydrophobicContact CE-CB 3.96Å; M44-V155 HydrophobicContact CE-CG1 3.71Å; M44-V155 HydrophobicContact SD-CB 3.88Å; M44-V155 HydrophobicContact SD-CG1 4.22Å; V45-V155 PolarHBondContact N-O 2.93Å; I55-V155 HydrophobicContact CG2-CG1 4.21Å; F153-V155 HydrophobicContact CD1-CG2 3.95Å; F153-V155 HydrophobicContact CE1-CG2 3.78Å; V155-I216 HydrophobicContact CB-CG2 4.21Å; V155-I216 HydrophobicContact CG1-CG2 4.11Å; V155-I216 HydrophobicContact CG2-CG2 3.83Å; V155-I218 HydrophobicContact CG1-CD1 4.04Å; V155-L242 HydrophobicContact CG1-CD1 3.97Å; V155-L242 HydrophobicContact CG2-CD1 4.13Å
156E98.2Very high93.3Very high0 Ų047.7 Ų47.70%027%0.267CS..EExtended strand (participates in β ladder)trans-94.9128.2178.2-171.1174.4-150.500110.5V45 I158 Y202 S204 L205 I216 K217 I218V45-E156 HydrophobicContact CB-CB 3.92Å; V45-E156 HydrophobicContact CB-CG 3.94Å; V45-E156 HydrophobicContact CG1-CB 4.32Å; V45-E156 HydrophobicContact CG1-CG 3.87Å; V45-E156 WeakPolarHBondContact O-CA 3.45Å; E156-I158 HydrophobicContact CG-CD1 4.15Å; E156-I158 HydrophobicContact CG-CG1 3.87Å; E156-Y202 WeakPolarHBondContact OE1-CE2 3.28Å; E156-Y202 PolarHBondContact OE1-OH 2.92Å; E156-S204 VanDerWaalsContact CD-OG 3.27Å; E156-S204 VanDerWaalsContact OE1-CA 3.25Å; E156-S204 WeakPolarHBondContact OE1-CA 3.42Å; E156-S204 WeakPolarHBondContact OE1-CB 3.43Å; E156-S204 PolarHBondContact OE1-OG 2.81Å; E156-S204 PolarHBondContact OE2-OG 3.04Å; E156-S204 VanDerWaalsContact OE2-OG 3.07Å; E156-L205 HydrophobicContact CB-CD1 3.84Å; E156-L205 PolarHBondContact OE1-N 3.22Å; E156-L205 VanDerWaalsContact OE2-CB 3.29Å; E156-L205 WeakPolarHBondContact OE2-CB 3.47Å; E156-L205 PolarHBondContact OE2-N 3.48Å; E156-L205 VanDerWaalsContact OE2-N 3.12Å; E156-I216 PolarHBondContact N-O 3.27Å; E156-K217 HydrophobicContact CB-CG 4.31Å; E156-K217 CarbonylContact O-C 3.59Å; E156-K217 WeakPolarHBondContact O-CA 3.33Å; E156-K217 WeakPolarHBondContact OE2-CE 3.45Å; E156-K217 IonicContact OE2-NZ 3.46Å; E156-I218 PolarHBondContact O-N 3.47Å
157S95.9Very high92.9Very high8 Ų844 Ų446%0.05626%0.258CS..EExtended strand (participates in β ladder)trans-110.8118.2172-174.10000110.2V45 R50V45-S157 PolarHBondContact O-N 3.2Å; R50-S157 WeakPolarHBondContact O-CB 3.22Å; R50-S157 PolarHBondContact O-OG 3.34Å
158I94.9Very high92.3Very high21 Ų2138.3 Ų38.311%0.10823%0.232CC..EExtended strand (participates in β ladder)trans-115.6129.1179.9-55.7-178.3000107.4E156 S204 K217 I218 M219 D220E156-I158 HydrophobicContact CG-CD1 4.15Å; E156-I158 HydrophobicContact CG-CG1 3.87Å; I158-S204 WeakPolarHBondContact CD1-OG 3.32Å; I158-K217 VanDerWaalsContact CD1-CE 3.45Å; I158-I218 PolarHBondContact N-O 3.03Å; I158-M219 HydrophobicContact CB-CE 3.99Å; I158-M219 HydrophobicContact CB-SD 3.79Å; I158-M219 HydrophobicContact CD1-CE 4.03Å; I158-M219 HydrophobicContact CD1-SD 3.66Å; I158-M219 HydrophobicContact CG1-SD 4.09Å; I158-M219 HydrophobicContact CG2-CE 3.78Å; I158-M219 HydrophobicContact CG2-SD 4.28Å; I158-M219 CarbonylContact O-C 3.56Å; I158-D220 PolarHBondContact O-N 3.08Å
159C91.6Very high91.7Very high7 Ų736.6 Ų36.65%0.04722%0.223CC..  trans-144.9122.8173.31800000107.2R50 D220R50-C159 HydrophobicContact CG-CB 4.15Å; C159-D220 WeakPolarHBondContact CA-OD1 3.48Å
160V89.2Confident91.1Very high107 Ų10738.6 Ų38.665%0.64823%0.226SC*.  trans-103.6-8.5178.5-62.60000112.7P162 D220V160-P162 VanDerWaalsContact O-CD 3.27Å; V160-P162 WeakPolarHBondContact O-CD 3.28Å; V160-D220 WeakPolarHBondContact CG2-OD1 3.15Å; V160-D220 PolarHBondContact N-OD1 3.33Å
161D88.9Confident90.2Very high59 Ų5944.9 Ų44.932%0.31626%0.256SS..  trans-70.1114.7178.8-172.7-28.6000111.7E163 V164 I165D161-E163 VanDerWaalsContact C-N 3.32Å; D161-E163 PolarHBondContact O-N 2.99Å; D161-E163 WeakPolarHBondContact OD1-CB 3.36Å; D161-E163 PolarHBondContact OD1-N 3.05Å; D161-V164 HydrophobicContact CB-CB 4.1Å; D161-V164 HydrophobicContact CB-CG2 3.9Å; D161-V164 PolarHBondContact O-N 2.93Å; D161-V164 PolarHBondContact OD1-N 3.43Å; D161-I165 WeakPolarHBondContact O-CD1 3.18Å; D161-I165 VanDerWaalsContact O-CG1 3.27Å; D161-I165 WeakPolarHBondContact O-CG1 3.46Å; D161-I165 PolarHBondContact O-N 2.89Å; D161-I165 VanDerWaalsContact O-N 3.1Å
162P88.1Confident89.3Confident98 Ų9843.5 Ų43.564%0.63625%0.251SS*.Hα-helixtrans-62.2-33.8179.7-21.834.2000114V160 I165 A166V160-P162 VanDerWaalsContact O-CD 3.27Å; V160-P162 WeakPolarHBondContact O-CD 3.28Å; P162-I165 PolarHBondContact O-N 3.41Å; P162-A166 WeakPolarHBondContact O-CB 3.38Å; P162-A166 PolarHBondContact O-N 3.39Å
163E88.6Confident88.5Confident160 Ų16044.9 Ų44.975%0.74826%0.256SS*.Hα-helixtrans-69-42.3-178.5-63.6-172.117600110.6D161 A166 A167D161-E163 VanDerWaalsContact C-N 3.32Å; D161-E163 PolarHBondContact O-N 2.99Å; D161-E163 WeakPolarHBondContact OD1-CB 3.36Å; D161-E163 PolarHBondContact OD1-N 3.05Å; E163-A166 PolarHBondContact O-N 3.41Å; E163-A167 WeakPolarHBondContact O-CB 3.33Å; E163-A167 PolarHBondContact O-N 3.38Å
164V85.8Confident87.4Confident34 Ų3446.4 Ų46.421%0.20626%0.264CS..Hα-helixtrans-63.8-43.2174.8175.10000110.9D161 A167 N168 V221D161-V164 HydrophobicContact CB-CB 4.1Å; D161-V164 HydrophobicContact CB-CG2 3.9Å; D161-V164 PolarHBondContact O-N 2.93Å; D161-V164 PolarHBondContact OD1-N 3.43Å; V164-A167 PolarHBondContact O-N 2.85Å; V164-N168 WeakPolarHBondContact O-CB 3.45Å; V164-N168 VanDerWaalsContact O-CG 3.22Å; V164-N168 PolarHBondContact O-N 3.04Å; V164-N168 PolarHBondContact O-ND2 3.3Å; V164-V221 HydrophobicContact CB-CG2 4.43Å; V164-V221 HydrophobicContact CG1-CG2 3.63Å; V164-V221 HydrophobicContact CG2-CG2 4.13Å
165I86.1Confident86.3Confident19 Ų1949.8 Ų49.810%0.09730%0.299CS..Hα-helixtrans-61.5-48.1178.1-67.1163.6000109.8D161 P162 A167 N168 I169 I195D161-I165 WeakPolarHBondContact O-CD1 3.18Å; D161-I165 VanDerWaalsContact O-CG1 3.27Å; D161-I165 WeakPolarHBondContact O-CG1 3.46Å; D161-I165 PolarHBondContact O-N 2.89Å; D161-I165 VanDerWaalsContact O-N 3.1Å; P162-I165 PolarHBondContact O-N 3.41Å; I165-A167 PolarHBondContact O-N 2.9Å; I165-N168 PolarHBondContact O-N 3.1Å; I165-I169 HydrophobicContact CG2-CD1 3.95Å; I165-I169 VanDerWaalsContact O-CG1 3.29Å; I165-I169 WeakPolarHBondContact O-CG1 3.27Å; I165-I169 PolarHBondContact O-N 3.49Å; I165-I195 HydrophobicContact CG2-CD1 4.29Å
166A87Confident85.5Confident53 Ų5350.6 Ų50.644%0.43830%0.304SS..Hα-helixtrans-59.9-47.3177.800000111.7P162 E163 N168 I169 V170P162-A166 WeakPolarHBondContact O-CB 3.38Å; P162-A166 PolarHBondContact O-N 3.39Å; E163-A166 PolarHBondContact O-N 3.41Å; A166-N168 VanDerWaalsContact C-N 3.32Å; A166-N168 PolarHBondContact O-N 3.45Å; A166-I169 PolarHBondContact O-N 3.11Å; A166-I169 VanDerWaalsContact O-N 3.15Å; A166-V170 WeakPolarHBondContact O-CG2 3.37Å; A166-V170 PolarHBondContact O-N 2.87Å
167A85.3Confident84.8Confident43 Ų4354.7 Ų54.736%0.35533%0.331SS..Hα-helixtrans-59.2-42.617700000112.1E163 V164 I165 I169 V170 Q171E163-A167 WeakPolarHBondContact O-CB 3.33Å; E163-A167 PolarHBondContact O-N 3.38Å; V164-A167 PolarHBondContact O-N 2.85Å; I165-A167 PolarHBondContact O-N 2.9Å; A167-I169 VanDerWaalsContact C-N 3.35Å; A167-I169 PolarHBondContact O-N 2.94Å; A167-V170 PolarHBondContact O-N 2.9Å; A167-Q171 WeakPolarHBondContact O-CB 3.39Å; A167-Q171 WeakPolarHBondContact O-CG 3.29Å; A167-Q171 PolarHBondContact O-N 2.73Å
168N84.4Confident84.2Confident39 Ų3954.9 Ų54.921%0.20933%0.332CS..Hα-helixtrans-65.2-36.1176.8-75.8-24.4000112.6A49 V164 I165 A166 V172A49-N168 HydrophobicContact CB-CB 4.26Å; A49-N168 WeakPolarHBondContact O-CB 3.27Å; A49-N168 PolarHBondContact O-ND2 3.14Å; V164-N168 WeakPolarHBondContact O-CB 3.45Å; V164-N168 VanDerWaalsContact O-CG 3.22Å; V164-N168 PolarHBondContact O-N 3.04Å; V164-N168 PolarHBondContact O-ND2 3.3Å; I165-N168 PolarHBondContact O-N 3.1Å; A166-N168 VanDerWaalsContact C-N 3.32Å; A166-N168 PolarHBondContact O-N 3.45Å; N168-V172 VanDerWaalsContact O-CB 3.29Å; N168-V172 WeakPolarHBondContact O-CB 3.36Å; N168-V172 PolarHBondContact O-N 2.85Å
169I83.4Confident83.8Confident2 Ų254.2 Ų54.21%0.0133%0.328CS..Iπ-helixtrans-63.8-52.8176.1-68.2166.6000109.2A49 I165 A166 A167 K173 L174 T188 F191 M192 I195A49-I169 HydrophobicContact CB-CG1 3.81Å; I165-I169 HydrophobicContact CG2-CD1 3.95Å; I165-I169 VanDerWaalsContact O-CG1 3.29Å; I165-I169 WeakPolarHBondContact O-CG1 3.27Å; I165-I169 PolarHBondContact O-N 3.49Å; A166-I169 PolarHBondContact O-N 3.11Å; A166-I169 VanDerWaalsContact O-N 3.15Å; A167-I169 VanDerWaalsContact C-N 3.35Å; A167-I169 PolarHBondContact O-N 2.94Å; I169-K173 WeakPolarHBondContact O-CA 3.45Å; I169-K173 WeakPolarHBondContact O-CB 3.22Å; I169-K173 PolarHBondContact O-N 2.83Å; I169-L174 HydrophobicContact CG2-CD2 4.28Å; I169-L174 HydrophobicContact CG2-CG 4.41Å; I169-L174 PolarHBondContact O-N 2.99Å; I169-L174 VanDerWaalsContact O-N 3.07Å; I169-T188 HydrophobicContact CG2-CG2 4.39Å; I169-F191 HydrophobicContact CD1-CD1 3.97Å; I169-F191 HydrophobicContact CG1-CD1 3.71Å; I169-F191 HydrophobicContact CG1-CE1 4.08Å; I169-F191 HydrophobicContact CG2-CB 4.34Å; I169-F191 HydrophobicContact CG2-CD1 4.37Å; I169-F191 HydrophobicContact CG2-CG 4.42Å; I169-M192 HydrophobicContact CD1-CG 4.42Å; I169-M192 HydrophobicContact CD1-SD 3.56Å; I169-M192 VanDerWaalsContact CD1-SD 3.56Å; I169-I195 HydrophobicContact CD1-CD1 4.07Å
170V82.3Confident83.3Confident89 Ų8958.2 Ų58.254%0.53935%0.352SS..Iπ-helixtrans-62.9-51.7-176175.70000111.7A166 A167 V172 L174A166-V170 WeakPolarHBondContact O-CG2 3.37Å; A166-V170 PolarHBondContact O-N 2.87Å; A167-V170 PolarHBondContact O-N 2.9Å; V170-V172 VanDerWaalsContact C-N 3.32Å; V170-V172 PolarHBondContact O-N 3.4Å; V170-L174 HydrophobicContact CB-CD1 4.37Å; V170-L174 HydrophobicContact CG1-CD1 4.43Å; V170-L174 HydrophobicContact CG2-CD1 4.24Å
171Q76.4Confident82.8Confident143 Ų14361 Ų6167%0.66836%0.363SS*.Iπ-helixtrans-68.5-30.7-173.6-72.7-174.42.800113.7A167A167-Q171 WeakPolarHBondContact O-CB 3.39Å; A167-Q171 WeakPolarHBondContact O-CG 3.29Å; A167-Q171 PolarHBondContact O-N 2.73Å
172V76.8Confident82.5Confident21 Ų2162.7 Ų62.713%0.12737%0.365CS..Iπ-helixtrans-125.4-34.6-160.8-178.40000113N168 V170 A427 Y428N168-V172 VanDerWaalsContact O-CB 3.29Å; N168-V172 WeakPolarHBondContact O-CB 3.36Å; N168-V172 PolarHBondContact O-N 2.85Å; V170-V172 VanDerWaalsContact C-N 3.32Å; V170-V172 PolarHBondContact O-N 3.4Å; V172-A427 HydrophobicContact CG2-CB 3.54Å; V172-Y428 HydrophobicContact CG1-CE1 4.04Å; V172-Y428 HydrophobicContact CG1-CE2 3.6Å; V172-Y428 WeakPolarHBondContact CG1-OH 3.26Å
173K79.6Confident82.5Confident40 Ų4062.1 Ų62.117%0.17436%0.357CS..Iπ-helixtrans-98.7-32.8-170.7-58.2-57.9179.7-167.10112.8I169 G175 S176 Y179 F191I169-K173 WeakPolarHBondContact O-CA 3.45Å; I169-K173 WeakPolarHBondContact O-CB 3.22Å; I169-K173 PolarHBondContact O-N 2.83Å; K173-G175 VanDerWaalsContact C-N 3.26Å; K173-G175 PolarHBondContact O-N 2.93Å; K173-S176 WeakPolarHBondContact O-CB 3.3Å; K173-S176 PolarHBondContact O-N 2.78Å; K173-Y179 WeakPolarHBondContact O-CD2 3.2Å; K173-F191 HydrophobicContact CB-CD2 4.01Å; K173-F191 HydrophobicContact CB-CE2 3.73Å; K173-F191 HydrophobicContact CB-CZ 4.02Å; K173-F191 HydrophobicContact CD-CE2 4.01Å; K173-F191 HydrophobicContact CD-CZ 3.9Å; K173-F191 HydrophobicContact CG-CD2 4.48Å; K173-F191 HydrophobicContact CG-CE1 4.14Å; K173-F191 HydrophobicContact CG-CE2 3.78Å; K173-F191 HydrophobicContact CG-CZ 3.58Å
174L75.2Confident82.3Confident32 Ų3257.8 Ų57.817%0.16834%0.344CS..THydrogen-bonded Turntrans-64.7-32173.4-60.4-173.9000112.3I169 V170 S176 A187I169-L174 HydrophobicContact CG2-CD2 4.28Å; I169-L174 HydrophobicContact CG2-CG 4.41Å; I169-L174 PolarHBondContact O-N 2.99Å; I169-L174 VanDerWaalsContact O-N 3.07Å; V170-L174 HydrophobicContact CB-CD1 4.37Å; V170-L174 HydrophobicContact CG1-CD1 4.43Å; V170-L174 HydrophobicContact CG2-CD1 4.24Å; L174-S176 PolarHBondContact O-N 2.93Å; L174-A187 HydrophobicContact CD2-CB 3.5Å
175G76.5Confident82.4Confident70 Ų7062.2 Ų62.272%0.72237%0.367SS*.THydrogen-bonded Turntrans-782.9171.400000115.2K173K173-G175 VanDerWaalsContact C-N 3.26Å; K173-G175 PolarHBondContact O-N 2.93Å
176S81.4Confident82.5Confident17 Ų1767 Ų6712%0.11939%0.388CS..SBendtrans-68.9147.7179177.90000111K173 L174 D178 Y179K173-S176 WeakPolarHBondContact O-CB 3.3Å; K173-S176 PolarHBondContact O-N 2.78Å; L174-S176 PolarHBondContact O-N 2.93Å; S176-D178 PolarHBondContact O-N 2.93Å; S176-D178 PolarHBondContact OG-N 2.77Å; S176-Y179 PolarHBondContact O-N 3.28Å
177P83.2Confident82.6Confident86 Ų8664.6 Ų64.656%0.55837%0.369SS*.G310 helixtrans-53-21.3170.6-26.734.5000114.7Y179P177-Y179 VanDerWaalsContact C-N 3.31Å
178D84.7Confident82.7Confident13 Ų1364.6 Ų64.67%0.0736%0.364CS..G310 helixtrans-66.9-29.3176.8-68.8-31.4000113R79 R80 Y86 S176 R194R79-D178 IonicContact CZ-OD1 3.48Å; R79-D178 VanDerWaalsContact CZ-OD1 3.29Å; R79-D178 IonicContact CZ-OD2 3.53Å; R79-D178 IonicContact NH1-OD1 2.66Å; R79-D178 PolarHBondContact NH1-OD1 3Å; R79-D178 IonicContact NH1-OD2 2.79Å; R79-D178 VanDerWaalsContact NH2-CG 3.29Å; R79-D178 IonicContact NH2-OD1 3.28Å; R79-D178 PolarHBondContact NH2-OD1 2.87Å; R79-D178 VanDerWaalsContact NH2-OD1 3.08Å; R79-D178 IonicContact NH2-OD2 3.51Å; R79-D178 PolarHBondContact NH2-OD2 3.41Å; R80-D178 WeakPolarHBondContact CG-OD1 3.48Å; R80-D178 IonicContact NH1-OD2 2.68Å; Y86-D178 HydrophobicContact CD1-CB 3.89Å; Y86-D178 WeakPolarHBondContact CD1-O 3.16Å; Y86-D178 HydrophobicContact CE1-CB 4.49Å; Y86-D178 HydrophobicContact CG-CB 4.07Å; S176-D178 PolarHBondContact O-N 2.93Å; S176-D178 PolarHBondContact OG-N 2.77Å; D178-R194 IonicContact OD2-NH1 3.19Å
179Y86.3Confident83Confident6 Ų667.8 Ų67.82%0.02438%0.378CS..G310 helixtrans-116.114.2-172.8-61.1-77.7000112.9Y86 K173 S176 P177 N181 R182 A187 D190 F191Y86-Y179 HydrophobicContact CD1-CE1 4.46Å; Y86-Y179 AromaticContact CE1-CE1 3.77Å; Y86-Y179 HydrophobicContact CE1-CE1 3.77Å; Y86-Y179 AromaticContact CE1-CZ 3.79Å; Y86-Y179 PolarHBondContact OH-OH 2.93Å; K173-Y179 WeakPolarHBondContact O-CD2 3.2Å; S176-Y179 PolarHBondContact O-N 3.28Å; P177-Y179 VanDerWaalsContact C-N 3.31Å; Y179-N181 PolarHBondContact O-N 3.01Å; Y179-R182 PolarHBondContact O-N 2.7Å; Y179-A187 HydrophobicContact CD1-CB 3.49Å; Y179-A187 VanDerWaalsContact CD1-CB 3.49Å; Y179-A187 HydrophobicContact CE1-CB 4.22Å; Y179-A187 HydrophobicContact CG-CB 3.92Å; Y179-D190 HydrophobicContact CE1-CB 4.04Å; Y179-D190 WeakPolarHBondContact CE1-OD2 3.42Å; Y179-D190 PolarHBondContact OH-OD2 3.43Å; Y179-F191 AromaticContact CE2-CD2 3.64Å; Y179-F191 HydrophobicContact CE2-CD2 3.64Å; Y179-F191 HydrophobicContact CE2-CE2 4.28Å; Y179-F191 AromaticContact CZ-CD2 3.82Å; Y179-F191 WeakPolarHBondContact OH-CD2 3.42Å
180V80Confident83.4Confident91 Ų9168.1 Ų68.155%0.55238%0.38SS*.THydrogen-bonded Turntrans-58.2127.2175.3173.60000108.8R182V180-R182 VanDerWaalsContact C-N 3.35Å
181N79.8Confident83.8Confident166 Ų16664.1 Ų64.189%0.88836%0.355SS*.THydrogen-bonded Turntrans69.219.2-176.7-46.4-38.2000116Y179Y179-N181 PolarHBondContact O-N 3.01Å
182R82.3Confident84.4Confident94 Ų9461.2 Ų61.236%0.35534%0.343SS..  trans-96.9153.3166.6-69.3-150.7176.4-168.1-6112K87 Y179 V180 A187K87-R182 PolarHBondContact O-NH1 2.9Å; K87-R182 PolarHBondContact O-NH2 3.16Å; Y179-R182 PolarHBondContact O-N 2.7Å; V180-R182 VanDerWaalsContact C-N 3.35Å; R182-A187 HydrophobicContact CB-CB 4.17Å
183D87.8Confident85.2Confident87 Ų8765.1 Ų65.147%0.46536%0.355SS..  trans-64149.1167-177.568.1000110.8D185 E186 A187D183-D185 VanDerWaalsContact C-N 3.33Å; D183-D185 PolarHBondContact O-N 2.9Å; D183-D185 WeakPolarHBondContact OD2-CB 3.36Å; D183-D185 PolarHBondContact OD2-N 3.31Å; D183-E186 HydrophobicContact CB-CB 4.34Å; D183-E186 HydrophobicContact CB-CG 4.2Å; D183-A187 WeakPolarHBondContact O-CB 3.18Å; D183-A187 PolarHBondContact O-N 3.39Å
184S84.9Confident85.8Confident69 Ų6964.6 Ų64.648%0.48335%0.352SS..Hα-helixtrans-67.2-34.7-175-64.30000112.4T188S184-T188 WeakPolarHBondContact O-CB 3.38Å; S184-T188 PolarHBondContact O-N 3.07Å; S184-T188 PolarHBondContact O-OG1 2.95Å
185D86.6Confident86.6Confident127 Ų12763.3 Ų63.368%0.67935%0.345SS*.Hα-helixtrans-74.1-46.2-179.6-65.7-19.8000109.9D183 A187 T188 E189D183-D185 VanDerWaalsContact C-N 3.33Å; D183-D185 PolarHBondContact O-N 2.9Å; D183-D185 WeakPolarHBondContact OD2-CB 3.36Å; D183-D185 PolarHBondContact OD2-N 3.31Å; D185-A187 VanDerWaalsContact C-N 3.33Å; D185-A187 PolarHBondContact O-N 3.43Å; D185-T188 PolarHBondContact O-N 3.49Å; D185-E189 PolarHBondContact O-N 2.84Å
186E88.7Confident87.4Confident119 Ų11965 Ų6556%0.55633%0.334SS*.Hα-helixtrans-59.9-42.4175.2-68.4-173.817600112.3D183 T188 E189 D190D183-E186 HydrophobicContact CB-CB 4.34Å; D183-E186 HydrophobicContact CB-CG 4.2Å; E186-T188 VanDerWaalsContact C-N 3.34Å; E186-E189 PolarHBondContact O-N 3.37Å; E186-D190 WeakPolarHBondContact O-CB 3.45Å; E186-D190 PolarHBondContact O-N 2.95Å
187A88.3Confident87.9Confident3 Ų364.6 Ų64.63%0.02533%0.331CS..Hα-helixtrans-67.7-35.4177.900000112L174 Y179 R182 D183 D185 F191L174-A187 HydrophobicContact CD2-CB 3.5Å; Y179-A187 HydrophobicContact CD1-CB 3.49Å; Y179-A187 VanDerWaalsContact CD1-CB 3.49Å; Y179-A187 HydrophobicContact CE1-CB 4.22Å; Y179-A187 HydrophobicContact CG-CB 3.92Å; R182-A187 HydrophobicContact CB-CB 4.17Å; D183-A187 WeakPolarHBondContact O-CB 3.18Å; D183-A187 PolarHBondContact O-N 3.39Å; D185-A187 VanDerWaalsContact C-N 3.33Å; D185-A187 PolarHBondContact O-N 3.43Å; A187-F191 WeakPolarHBondContact O-CB 3.24Å; A187-F191 PolarHBondContact O-N 2.79Å
188T88.2Confident88.3Confident43 Ų4361.3 Ų61.326%0.26431%0.308SS..Hα-helixtrans-67-46.6174.8-610000110.8I169 S184 D185 E186 F191 M192I169-T188 HydrophobicContact CG2-CG2 4.39Å; S184-T188 WeakPolarHBondContact O-CB 3.38Å; S184-T188 PolarHBondContact O-N 3.07Å; S184-T188 PolarHBondContact O-OG1 2.95Å; D185-T188 PolarHBondContact O-N 3.49Å; E186-T188 VanDerWaalsContact C-N 3.34Å; T188-F191 PolarHBondContact O-N 2.87Å; T188-M192 WeakPolarHBondContact O-CG 3.16Å; T188-M192 PolarHBondContact O-N 2.75Å
189E90.2Very high88.6Confident105 Ų10564.9 Ų64.949%0.49132%0.324SS..Hα-helixtrans-61-47.2177.9-169.1-176174.700111.8D185 E186 F191 M192 R193D185-E189 PolarHBondContact O-N 2.84Å; E186-E189 PolarHBondContact O-N 3.37Å; E189-F191 VanDerWaalsContact C-N 3.29Å; E189-F191 PolarHBondContact O-N 2.8Å; E189-M192 PolarHBondContact O-N 2.97Å; E189-R193 PolarHBondContact O-N 2.98Å; E189-R193 IonicContact OE1-CZ 3.43Å; E189-R193 IonicContact OE1-NE 3.86Å; E189-R193 PolarHBondContact OE1-NE 2.91Å; E189-R193 IonicContact OE1-NH2 2.68Å; E189-R193 PolarHBondContact OE1-NH2 3.37Å
190D91.8Very high88.6Confident10 Ų1071.6 Ų71.65%0.05336%0.36CS..Hα-helixtrans-59-41.1175.2-179.789.6000111.7Y86 S88 F89 Y179 E186 R193 R194Y86-D190 VanDerWaalsContact CE1-OD2 3.31Å; Y86-D190 WeakPolarHBondContact CE1-OD2 3.43Å; Y86-D190 PolarHBondContact OH-OD2 3.38Å; S88-D190 VanDerWaalsContact CA-OD1 3.26Å; S88-D190 WeakPolarHBondContact CA-OD1 3.45Å; F89-D190 PolarHBondContact N-OD1 3.06Å; Y179-D190 HydrophobicContact CE1-CB 4.04Å; Y179-D190 WeakPolarHBondContact CE1-OD2 3.42Å; Y179-D190 PolarHBondContact OH-OD2 3.43Å; E186-D190 WeakPolarHBondContact O-CB 3.45Å; E186-D190 PolarHBondContact O-N 2.95Å; D190-R193 PolarHBondContact O-N 3.12Å; D190-R194 VanDerWaalsContact O-CB 3.3Å; D190-R194 WeakPolarHBondContact O-CB 3.49Å; D190-R194 PolarHBondContact O-N 3.24Å
191F90.6Very high89Confident5 Ų569.5 Ų69.52%0.02235%0.35CS..Hα-helixtrans-69.1-35.5179.5-157.8-84.2000112.5P48 A49 I169 K173 Y179 A187 T188 E189 R194 I195P48-F191 HydrophobicContact CB-CE1 3.87Å; P48-F191 HydrophobicContact CB-CZ 3.8Å; A49-F191 HydrophobicContact CB-CE1 3.72Å; A49-F191 HydrophobicContact CB-CZ 4.41Å; I169-F191 HydrophobicContact CD1-CD1 3.97Å; I169-F191 HydrophobicContact CG1-CD1 3.71Å; I169-F191 HydrophobicContact CG1-CE1 4.08Å; I169-F191 HydrophobicContact CG2-CB 4.34Å; I169-F191 HydrophobicContact CG2-CD1 4.37Å; I169-F191 HydrophobicContact CG2-CG 4.42Å; K173-F191 HydrophobicContact CB-CD2 4.01Å; K173-F191 HydrophobicContact CB-CE2 3.73Å; K173-F191 HydrophobicContact CB-CZ 4.02Å; K173-F191 HydrophobicContact CD-CE2 4.01Å; K173-F191 HydrophobicContact CD-CZ 3.9Å; K173-F191 HydrophobicContact CG-CD2 4.48Å; K173-F191 HydrophobicContact CG-CE1 4.14Å; K173-F191 HydrophobicContact CG-CE2 3.78Å; K173-F191 HydrophobicContact CG-CZ 3.58Å; Y179-F191 AromaticContact CE2-CD2 3.64Å; Y179-F191 HydrophobicContact CE2-CD2 3.64Å; Y179-F191 HydrophobicContact CE2-CE2 4.28Å; Y179-F191 AromaticContact CZ-CD2 3.82Å; Y179-F191 WeakPolarHBondContact OH-CD2 3.42Å; A187-F191 WeakPolarHBondContact O-CB 3.24Å; A187-F191 PolarHBondContact O-N 2.79Å; T188-F191 PolarHBondContact O-N 2.87Å; E189-F191 VanDerWaalsContact C-N 3.29Å; E189-F191 PolarHBondContact O-N 2.8Å; F191-R194 WeakPolarHBondContact O-CB 3.19Å; F191-R194 PolarHBondContact O-N 2.83Å; F191-I195 HydrophobicContact CD1-CD1 3.81Å; F191-I195 HydrophobicContact CD1-CG1 4.15Å; F191-I195 HydrophobicContact CE1-CD1 3.89Å; F191-I195 HydrophobicContact CE1-CG1 4.05Å; F191-I195 WeakPolarHBondContact O-CG1 3.04Å; F191-I195 PolarHBondContact O-N 2.7Å
192M90.8Very high89.7Confident82 Ų8264.3 Ų64.340%0.40432%0.318SS..Hα-helixtrans-64.7-48.8174.4-72.2-61-69.200111.2I169 T188 E189 R194 I195 E196I169-M192 HydrophobicContact CD1-CG 4.42Å; I169-M192 HydrophobicContact CD1-SD 3.56Å; I169-M192 VanDerWaalsContact CD1-SD 3.56Å; T188-M192 WeakPolarHBondContact O-CG 3.16Å; T188-M192 PolarHBondContact O-N 2.75Å; E189-M192 PolarHBondContact O-N 2.97Å; M192-R194 PolarHBondContact O-N 2.98Å; M192-I195 WeakPolarHBondContact O-CA 3.34Å; M192-I195 VanDerWaalsContact O-CB 3.31Å; M192-I195 WeakPolarHBondContact O-CB 3.5Å; M192-I195 PolarHBondContact O-N 2.8Å; M192-I195 HydrophobicContact SD-CD1 4.15Å; M192-E196 PolarHBondContact O-N 3.32Å; M192-E196 VanDerWaalsContact O-N 3.1Å
193R92.7Very high90.4Very high102 Ų10263.5 Ų63.539%0.38532%0.319SS..Hα-helixtrans-61.2-34.4174.4-65.6-174.9-171.3-167.65.1112.4F89 E189 D190 I195 E196 C197F89-R193 HydrophobicContact CB-CB 4.15Å; F89-R193 HydrophobicContact CD1-CB 3.81Å; F89-R193 HydrophobicContact CD1-CG 4.48Å; F89-R193 HydrophobicContact CD2-CB 3.7Å; F89-R193 HydrophobicContact CE1-CB 4.16Å; F89-R193 HydrophobicContact CE1-CG 4.43Å; F89-R193 HydrophobicContact CE2-CB 4.04Å; F89-R193 HydrophobicContact CG-CB 3.59Å; F89-R193 HydrophobicContact CZ-CB 4.27Å; E189-R193 PolarHBondContact O-N 2.98Å; E189-R193 IonicContact OE1-CZ 3.43Å; E189-R193 IonicContact OE1-NE 3.86Å; E189-R193 PolarHBondContact OE1-NE 2.91Å; E189-R193 IonicContact OE1-NH2 2.68Å; E189-R193 PolarHBondContact OE1-NH2 3.37Å; D190-R193 PolarHBondContact O-N 3.12Å; R193-I195 VanDerWaalsContact C-N 3.31Å; R193-I195 PolarHBondContact O-N 3.22Å; R193-E196 PolarHBondContact O-N 2.9Å; R193-C197 PolarHBondContact O-N 3.04Å; R193-C197 VanDerWaalsContact O-N 3.14Å; R193-C197 PolarHBondContact O-SG 2.76Å
194R92.6Very high90.8Very high30 Ų3061 Ų6111%0.11331%0.308CS..Hα-helixtrans-63-35.9172.1174.4180178.2176.22112.1F89 F92 D178 D190 F191 M192 C197 Y198F89-R194 HydrophobicContact CB-CB 3.91Å; F92-R194 HydrophobicContact CD2-CB 4.41Å; F92-R194 HydrophobicContact CD2-CG 3.61Å; F92-R194 VanDerWaalsContact CE2-CD 3.47Å; F92-R194 HydrophobicContact CE2-CG 4.02Å; F92-R194 HydrophobicContact CG-CG 4.15Å; F92-R194 VanDerWaalsContact CZ-NH2 3.26Å; D178-R194 IonicContact OD2-NH1 3.19Å; D190-R194 VanDerWaalsContact O-CB 3.3Å; D190-R194 WeakPolarHBondContact O-CB 3.49Å; D190-R194 PolarHBondContact O-N 3.24Å; F191-R194 WeakPolarHBondContact O-CB 3.19Å; F191-R194 PolarHBondContact O-N 2.83Å; M192-R194 PolarHBondContact O-N 2.98Å; R194-C197 WeakPolarHBondContact O-CB 3.48Å; R194-Y198 HydrophobicContact CG-CE2 4.29Å; R194-Y198 WeakPolarHBondContact O-CD2 3.5Å
195I92.2Very high91.4Very high4 Ų457.9 Ų57.92%0.02129%0.286CS..Hα-helixtrans-65.1-48.1174.6-73.4163.2000109.9P48 A49 I165 I169 F191 M192 R193 C197 Y198 E199P48-I195 HydrophobicContact CB-CG1 3.95Å; P48-I195 HydrophobicContact CG-CG1 4.29Å; A49-I195 HydrophobicContact CB-CD1 4.43Å; I165-I195 HydrophobicContact CG2-CD1 4.29Å; I169-I195 HydrophobicContact CD1-CD1 4.07Å; F191-I195 HydrophobicContact CD1-CD1 3.81Å; F191-I195 HydrophobicContact CD1-CG1 4.15Å; F191-I195 HydrophobicContact CE1-CD1 3.89Å; F191-I195 HydrophobicContact CE1-CG1 4.05Å; F191-I195 WeakPolarHBondContact O-CG1 3.04Å; F191-I195 PolarHBondContact O-N 2.7Å; M192-I195 WeakPolarHBondContact O-CA 3.34Å; M192-I195 VanDerWaalsContact O-CB 3.31Å; M192-I195 WeakPolarHBondContact O-CB 3.5Å; M192-I195 PolarHBondContact O-N 2.8Å; M192-I195 HydrophobicContact SD-CD1 4.15Å; R193-I195 VanDerWaalsContact C-N 3.31Å; R193-I195 PolarHBondContact O-N 3.22Å; I195-C197 PolarHBondContact O-N 2.6Å; I195-Y198 PolarHBondContact O-N 2.8Å; I195-E199 HydrophobicContact CG2-CG 4.19Å; I195-E199 WeakPolarHBondContact CG2-OE1 3.47Å; I195-E199 PolarHBondContact O-N 3.21Å
196E92.4Very high91.9Very high105 Ų10554.5 Ų54.549%0.49127%0.268SS..Hα-helixtrans-55.1-37.9179.1-66.7171.3-176.500112M192 R193 Y198 E199M192-E196 PolarHBondContact O-N 3.32Å; M192-E196 VanDerWaalsContact O-N 3.1Å; R193-E196 PolarHBondContact O-N 2.9Å; E196-Y198 PolarHBondContact O-N 2.79Å; E196-Y198 VanDerWaalsContact O-N 3.16Å; E196-E199 PolarHBondContact O-N 2.83Å; E196-E199 VanDerWaalsContact O-N 3.16Å
197C92Very high92.1Very high9 Ų954.8 Ų54.86%0.06127%0.269CS..Hα-helixtrans-55.7-33.1175.1-65.70000113.3F92 R193 R194 I195F92-C197 HydrophobicContact CB-CB 4.27Å; R193-C197 PolarHBondContact O-N 3.04Å; R193-C197 VanDerWaalsContact O-N 3.14Å; R193-C197 PolarHBondContact O-SG 2.76Å; R194-C197 WeakPolarHBondContact O-CB 3.48Å; I195-C197 PolarHBondContact O-N 2.6Å
198Y91.3Very high92.4Very high18 Ų1861 Ų617%0.07130%0.302CS..Hα-helixtrans-89-28.3178.8-70.4-85000112.9P48 F92 R103 T131 R194 I195 E196 N200 S201 Y202P48-Y198 HydrophobicContact CG-CD2 3.63Å; P48-Y198 HydrophobicContact CG-CE2 3.96Å; P48-Y198 HydrophobicContact CG-CG 4.34Å; F92-Y198 HydrophobicContact CB-CE2 4.18Å; F92-Y198 HydrophobicContact CD1-CE2 4.19Å; F92-Y198 AromaticContact CD1-CZ 3.97Å; F92-Y198 WeakPolarHBondContact CD1-OH 3.39Å; F92-Y198 WeakPolarHBondContact CE1-OH 3.26Å; F92-Y198 HydrophobicContact CG-CE2 4.26Å; R103-Y198 PolarHBondContact NH1-OH 2.97Å; T131-Y198 HydrophobicContact CG2-CD1 4.14Å; T131-Y198 HydrophobicContact CG2-CE1 3.95Å; T131-Y198 WeakPolarHBondContact OG1-CE1 3.43Å; R194-Y198 HydrophobicContact CG-CE2 4.29Å; R194-Y198 WeakPolarHBondContact O-CD2 3.5Å; I195-Y198 PolarHBondContact O-N 2.8Å; E196-Y198 PolarHBondContact O-N 2.79Å; E196-Y198 VanDerWaalsContact O-N 3.16Å; Y198-N200 VanDerWaalsContact C-N 3.32Å; Y198-N200 PolarHBondContact O-N 2.97Å; Y198-S201 PolarHBondContact O-N 2.68Å; Y198-S201 PolarHBondContact O-OG 2.86Å; Y198-Y202 WeakPolarHBondContact O-CB 3.35Å; Y198-Y202 PolarHBondContact O-N 3.11Å; Y198-Y202 VanDerWaalsContact O-N 3.13Å
199E91.6Very high92.8Very high88 Ų8864.5 Ų64.541%0.41132%0.319SS..Hα-helixtrans-60.8-41.2-177.3-75.7175.9171.300111.9L47 R50 I195 E196 S201 Y202L47-E199 HydrophobicContact CD1-CG 3.67Å; L47-E199 HydrophobicContact CD2-CG 4.01Å; R50-E199 IonicContact NH2-OE1 3.52Å; R50-E199 PolarHBondContact NH2-OE1 2.98Å; I195-E199 HydrophobicContact CG2-CG 4.19Å; I195-E199 WeakPolarHBondContact CG2-OE1 3.47Å; I195-E199 PolarHBondContact O-N 3.21Å; E196-E199 PolarHBondContact O-N 2.83Å; E196-E199 VanDerWaalsContact O-N 3.16Å; E199-S201 PolarHBondContact O-N 2.87Å; E199-Y202 PolarHBondContact O-N 3.45Å
200N85.6Confident93.1Very high146 Ų14660.3 Ų60.378%0.78130%0.299SS*.THydrogen-bonded Turntrans-62.1-18.4179.5-67.9-26.4000114.7Y198Y198-N200 VanDerWaalsContact C-N 3.32Å; Y198-N200 PolarHBondContact O-N 2.97Å
201S88.6Confident93.3Very high48 Ų4867.1 Ų67.134%0.33632%0.324SS..THydrogen-bonded Turntrans-12311.9-178.259.30000112.8T134 Y198 E199 E203T134-S201 WeakPolarHBondContact CG2-O 3.48Å; Y198-S201 PolarHBondContact O-N 2.68Å; Y198-S201 PolarHBondContact O-OG 2.86Å; E199-S201 PolarHBondContact O-N 2.87Å; S201-E203 PolarHBondContact O-N 2.71Å
202Y95.4Very high93.5Very high57 Ų5771.1 Ų71.122%0.22435%0.346CS..  trans-82.1112.7-175.5178.4-148.4000111.4L47 T133 E156 Y198 E199L47-Y202 HydrophobicContact CD1-CD1 3.86Å; L47-Y202 HydrophobicContact CD1-CE1 4.15Å; L47-Y202 HydrophobicContact CD2-CD1 3.95Å; L47-Y202 HydrophobicContact CD2-CG 4.04Å; L47-Y202 HydrophobicContact CG-CD1 3.73Å; L47-Y202 HydrophobicContact CG-CE1 3.99Å; L47-Y202 HydrophobicContact CG-CG 4.25Å; T133-Y202 HydrophobicContact CG2-CD2 3.61Å; T133-Y202 HydrophobicContact CG2-CE2 4.11Å; T133-Y202 HydrophobicContact CG2-CG 4.17Å; E156-Y202 WeakPolarHBondContact OE1-CE2 3.28Å; E156-Y202 PolarHBondContact OE1-OH 2.92Å; Y198-Y202 WeakPolarHBondContact O-CB 3.35Å; Y198-Y202 PolarHBondContact O-N 3.11Å; Y198-Y202 VanDerWaalsContact O-N 3.13Å; E199-Y202 PolarHBondContact O-N 3.45Å
203E96.3Very high93.8Very high77 Ų7768.5 Ų68.536%0.3633%0.334SS..  trans-106.798.7172.4-59.6171.2103.300108.2T133 T134 R135 R138 S201T133-E203 PolarHBondContact O-N 2.93Å; T134-E203 WeakPolarHBondContact CA-OE2 3.47Å; R135-E203 HydrophobicContact CG-CB 4.06Å; R135-E203 PolarHBondContact N-OE2 3.04Å; R138-E203 VanDerWaalsContact CZ-O 3.24Å; R138-E203 PolarHBondContact NH1-O 3.12Å; R138-E203 PolarHBondContact NH2-O 2.77Å; S201-E203 PolarHBondContact O-N 2.71Å
204S96.8Very high94.1Very high35 Ų3564.6 Ų64.625%0.24532%0.322CS..  trans-60159.7177.6-174.60000111.9R138 E156 I158 D206 K217R138-S204 PolarHBondContact NH2-O 2.94Å; E156-S204 VanDerWaalsContact CD-OG 3.27Å; E156-S204 VanDerWaalsContact OE1-CA 3.25Å; E156-S204 WeakPolarHBondContact OE1-CA 3.42Å; E156-S204 WeakPolarHBondContact OE1-CB 3.43Å; E156-S204 PolarHBondContact OE1-OG 2.81Å; E156-S204 PolarHBondContact OE2-OG 3.04Å; E156-S204 VanDerWaalsContact OE2-OG 3.07Å; I158-S204 WeakPolarHBondContact CD1-OG 3.32Å; S204-D206 PolarHBondContact O-N 3.42Å; S204-K217 PolarHBondContact OG-NZ 3.38Å; S204-K217 VanDerWaalsContact OG-NZ 3.11Å
205L97.4Very high94.4Very high2 Ų263.2 Ų63.21%0.0132%0.317CS..  trans-63.8131.1169.8-66.6169000109.4F154 E156 D210 L213 Y215 K217F154-L205 HydrophobicContact CB-CD1 3.81Å; E156-L205 HydrophobicContact CB-CD1 3.84Å; E156-L205 PolarHBondContact OE1-N 3.22Å; E156-L205 VanDerWaalsContact OE2-CB 3.29Å; E156-L205 WeakPolarHBondContact OE2-CB 3.47Å; E156-L205 PolarHBondContact OE2-N 3.48Å; E156-L205 VanDerWaalsContact OE2-N 3.12Å; L205-D210 WeakPolarHBondContact CA-OD2 3.36Å; L205-D210 HydrophobicContact CD2-CB 4.26Å; L205-L213 HydrophobicContact CD2-CD1 4.49Å; L205-Y215 HydrophobicContact CD1-CD1 4.44Å; L205-Y215 HydrophobicContact CD1-CD2 4.13Å; L205-Y215 HydrophobicContact CD1-CG 3.88Å; L205-K217 HydrophobicContact CB-CD 4.27Å; L205-K217 HydrophobicContact CB-CG 4.48Å; L205-K217 PolarHBondContact O-NZ 3.2Å
206D96.9Very high94.6Very high57 Ų5763 Ų6331%0.30532%0.316SS..  trans-119.8136.4-171179.6-99.6000111.2S204 D208 L209 D210S204-D206 PolarHBondContact O-N 3.42Å; D206-D208 VanDerWaalsContact C-N 3.27Å; D206-D208 PolarHBondContact O-N 3.29Å; D206-D208 PolarHBondContact OD1-N 3.46Å; D206-D208 VanDerWaalsContact OD1-N 3.12Å; D206-L209 HydrophobicContact CB-CB 4.13Å; D206-L209 WeakPolarHBondContact OD1-CB 3.13Å; D206-L209 WeakPolarHBondContact OD1-CG 3.32Å; D206-L209 PolarHBondContact OD1-N 3.46Å; D206-D210 PolarHBondContact N-OD2 3.49Å; D206-D210 WeakPolarHBondContact O-CA 3Å; D206-D210 VanDerWaalsContact O-CB 3.23Å; D206-D210 WeakPolarHBondContact O-CB 3.4Å; D206-D210 PolarHBondContact O-N 2.92Å
207E92.9Very high94.9Very high124 Ų12459.5 Ų59.558%0.57930%0.298SS*.THydrogen-bonded Turntrans-66.2-29.2-173.2-67.6179.8-162.400113R211 V226E207-R211 WeakPolarHBondContact O-CA 3.24Å; E207-R211 WeakPolarHBondContact O-CB 3.32Å; E207-V226 HydrophobicContact CG-CG1 4.47Å
208D94.8Very high95.1Very high133 Ų13359.5 Ų59.571%0.71130%0.298SS*.THydrogen-bonded Turntrans-87.3-46.7179.5-68.9-44.2000111.3D206D206-D208 VanDerWaalsContact C-N 3.27Å; D206-D208 PolarHBondContact O-N 3.29Å; D206-D208 PolarHBondContact OD1-N 3.46Å; D206-D208 VanDerWaalsContact OD1-N 3.12Å
209L95.7Very high95.2Very high118 Ų11860.7 Ų60.762%0.61830%0.304SS*.THydrogen-bonded Turntrans-84.4-29.1-171.1-63.6162.3000112.6D206D206-L209 HydrophobicContact CB-CB 4.13Å; D206-L209 WeakPolarHBondContact OD1-CB 3.13Å; D206-L209 WeakPolarHBondContact OD1-CG 3.32Å; D206-L209 PolarHBondContact OD1-N 3.46Å
210D96.7Very high95.1Very high16 Ų1658.2 Ų58.29%0.08629%0.294CS..SBendtrans-108.117.6177.8-60-72000112R138 L205 D206 D212 L213 Y215R138-D210 IonicContact NH2-OD2 2.7Å; L205-D210 WeakPolarHBondContact CA-OD2 3.36Å; L205-D210 HydrophobicContact CD2-CB 4.26Å; D206-D210 PolarHBondContact N-OD2 3.49Å; D206-D210 WeakPolarHBondContact O-CA 3Å; D206-D210 VanDerWaalsContact O-CB 3.23Å; D206-D210 WeakPolarHBondContact O-CB 3.4Å; D206-D210 PolarHBondContact O-N 2.92Å; D210-D212 PolarHBondContact O-N 3.5Å; D210-L213 HydrophobicContact CB-CD1 3.92Å; D210-L213 HydrophobicContact CB-CG 4.29Å; D210-L213 WeakPolarHBondContact O-CB 3.46Å; D210-L213 PolarHBondContact O-N 2.65Å; D210-Y215 HydrophobicContact CB-CE1 4.35Å
211R95.6Very high95.1Very high154 Ų15453.9 Ų53.958%0.58127%0.273SS*.THydrogen-bonded Turntrans-52.5-28.3-174.876.2-175.5-175.1-177.1-3.5115.6E207 N228 R229E207-R211 WeakPolarHBondContact O-CA 3.24Å; E207-R211 WeakPolarHBondContact O-CB 3.32Å; R211-N228 PolarHBondContact O-ND2 3.21Å; R211-R229 WeakPolarHBondContact O-CD 3.46Å; R211-R229 PolarHBondContact O-NE 3.39Å
212D95.9Very high95.1Very high89 Ų8952.5 Ų52.548%0.47627%0.266SS..THydrogen-bonded Turntrans-89.8-7.6-176.5-69.7-58.5000112.7D210 R229D210-D212 PolarHBondContact O-N 3.5Å; D212-R229 IonicContact OD1-CZ 3.49Å; D212-R229 IonicContact OD1-NH1 2.66Å; D212-R229 PolarHBondContact OD1-NH1 3.12Å; D212-R229 IonicContact OD1-NH2 3.47Å; D212-R229 PolarHBondContact OD1-NH2 3.35Å
213L97.4Very high94.8Very high27 Ų2757.3 Ų57.314%0.14129%0.291CS..SBendtrans-89144.2179.6-55.4-174.6000112.4F142 F154 L205 D210 Y215 N228F142-L213 HydrophobicContact CD2-CD2 3.75Å; F142-L213 HydrophobicContact CE2-CD2 3.6Å; F142-L213 HydrophobicContact CG-CD2 4.38Å; F142-L213 HydrophobicContact CZ-CD2 4.12Å; F154-L213 HydrophobicContact CD2-CB 4.35Å; F154-L213 HydrophobicContact CD2-CD1 4.28Å; F154-L213 HydrophobicContact CE2-CB 4.36Å; F154-L213 HydrophobicContact CE2-CD1 3.85Å; F154-L213 HydrophobicContact CE2-CD2 4.34Å; F154-L213 HydrophobicContact CE2-CG 4.42Å; F154-L213 HydrophobicContact CZ-CD1 4.37Å; L205-L213 HydrophobicContact CD2-CD1 4.49Å; D210-L213 HydrophobicContact CB-CD1 3.92Å; D210-L213 HydrophobicContact CB-CG 4.29Å; D210-L213 WeakPolarHBondContact O-CB 3.46Å; D210-L213 PolarHBondContact O-N 2.65Å; L213-Y215 HydrophobicContact CB-CD1 4.19Å; L213-Y215 WeakPolarHBondContact O-CD1 3.35Å; L213-N228 PolarHBondContact O-ND2 3.04Å
214S98Very high94.7Very high19 Ų1956.6 Ų56.613%0.13329%0.294CS..  trans-82118.8169.1-57.50000110.2F153 F154 N228 R229F153-S214 WeakPolarHBondContact CA-O 3.17Å; F154-S214 PolarHBondContact N-O 3.18Å; S214-N228 WeakPolarHBondContact CA-O 3.07Å; S214-R229 WeakPolarHBondContact CB-O 3.15Å; S214-R229 PolarHBondContact OG-O 2.9Å
215Y98.4Very high94.7Very high2 Ų257.8 Ų57.81%0.00829%0.294CS..EExtended strand (participates in β ladder)trans-152.3163.1-178.966.8-102.3000114.8F154 L205 D210 L213 K217 V226 V227 N228F154-Y215 CarbonylContact O-C 3.53Å; F154-Y215 WeakPolarHBondContact O-CA 3.35Å; F154-Y215 WeakPolarHBondContact O-CB 3.47Å; L205-Y215 HydrophobicContact CD1-CD1 4.44Å; L205-Y215 HydrophobicContact CD1-CD2 4.13Å; L205-Y215 HydrophobicContact CD1-CG 3.88Å; D210-Y215 HydrophobicContact CB-CE1 4.35Å; L213-Y215 HydrophobicContact CB-CD1 4.19Å; L213-Y215 WeakPolarHBondContact O-CD1 3.35Å; Y215-K217 HydrophobicContact CD2-CG 3.93Å; Y215-K217 HydrophobicContact CE2-CD 4.08Å; Y215-K217 HydrophobicContact CE2-CG 3.94Å; Y215-V226 HydrophobicContact CE2-CG1 4.2Å; Y215-V227 WeakPolarHBondContact O-CA 3.2Å; Y215-N228 HydrophobicContact CD1-CB 3.74Å; Y215-N228 HydrophobicContact CD2-CB 4.04Å; Y215-N228 HydrophobicContact CE1-CB 3.36Å; Y215-N228 WeakPolarHBondContact CE1-ND2 3.36Å; Y215-N228 HydrophobicContact CE2-CB 3.68Å; Y215-N228 HydrophobicContact CG-CB 4.06Å; Y215-N228 PolarHBondContact N-O 3.48Å; Y215-N228 PolarHBondContact O-N 2.94Å
216I98.2Very high94.7Very high0 Ų059.7 Ų59.70%031%0.306CS..EExtended strand (participates in β ladder)trans-128.2131.4162.9-179.2172.7000109.5F153 F154 V155 E156 I218 Y225 V226 V227 V239 L242F153-I216 HydrophobicContact CE1-CG2 3.8Å; F153-I216 HydrophobicContact CZ-CB 4.07Å; F153-I216 HydrophobicContact CZ-CG2 3.65Å; F154-I216 PolarHBondContact O-N 3.48Å; V155-I216 HydrophobicContact CB-CG2 4.21Å; V155-I216 HydrophobicContact CG1-CG2 4.11Å; V155-I216 HydrophobicContact CG2-CG2 3.83Å; E156-I216 PolarHBondContact N-O 3.27Å; I216-I218 HydrophobicContact CD1-CG1 4.28Å; I216-I218 HydrophobicContact CG1-CG1 4.22Å; I216-Y225 HydrophobicContact CD1-CD1 3.99Å; I216-Y225 HydrophobicContact CG1-CD1 4.47Å; I216-V226 CarbonylContact C-O 3.55Å; I216-V226 VanDerWaalsContact CA-O 3.29Å; I216-V226 WeakPolarHBondContact CA-O 3.35Å; I216-V227 HydrophobicContact CB-CG2 4.42Å; I216-V227 HydrophobicContact CD1-CG2 4.15Å; I216-V227 HydrophobicContact CG1-CG2 3.99Å; I216-V239 HydrophobicContact CB-CG2 4.47Å; I216-V239 HydrophobicContact CD1-CG1 4.24Å; I216-V239 HydrophobicContact CD1-CG2 4.3Å; I216-L242 HydrophobicContact CD1-CB 4.22Å; I216-L242 HydrophobicContact CD1-CD1 4.29Å; I216-L242 HydrophobicContact CG2-CD1 3.89Å
217K97.5Very high94.7Very high30 Ų3059.8 Ų59.813%0.1331%0.308CS..EExtended strand (participates in β ladder)trans-101.3125.8166.7-54.2179.663.6164.50108.3E156 I158 S204 L205 Y215 M219 Y225 V226E156-K217 HydrophobicContact CB-CG 4.31Å; E156-K217 CarbonylContact O-C 3.59Å; E156-K217 WeakPolarHBondContact O-CA 3.33Å; E156-K217 WeakPolarHBondContact OE2-CE 3.45Å; E156-K217 IonicContact OE2-NZ 3.46Å; I158-K217 VanDerWaalsContact CD1-CE 3.45Å; S204-K217 PolarHBondContact OG-NZ 3.38Å; S204-K217 VanDerWaalsContact OG-NZ 3.11Å; L205-K217 HydrophobicContact CB-CD 4.27Å; L205-K217 HydrophobicContact CB-CG 4.48Å; L205-K217 PolarHBondContact O-NZ 3.2Å; Y215-K217 HydrophobicContact CD2-CG 3.93Å; Y215-K217 HydrophobicContact CE2-CD 4.08Å; Y215-K217 HydrophobicContact CE2-CG 3.94Å; K217-M219 HydrophobicContact CB-SD 4.26Å; K217-Y225 VanDerWaalsContact O-CA 3.26Å; K217-Y225 WeakPolarHBondContact O-CA 3.4Å; K217-V226 HydrophobicContact CB-CB 4.11Å; K217-V226 HydrophobicContact CD-CB 4.27Å; K217-V226 HydrophobicContact CG-CB 4.34Å; K217-V226 PolarHBondContact N-O 3.36Å; K217-V226 PolarHBondContact O-N 2.91Å
218I96.3Very high95Very high9 Ų955.7 Ų55.75%0.04629%0.29CS..EExtended strand (participates in β ladder)trans-106.1110.7175.8-56.1168.1000106.8I55 V155 E156 I158 I216 Y225 L242I55-I218 HydrophobicContact CD1-CD1 3.91Å; V155-I218 HydrophobicContact CG1-CD1 4.04Å; E156-I218 PolarHBondContact O-N 3.47Å; I158-I218 PolarHBondContact N-O 3.03Å; I216-I218 HydrophobicContact CD1-CG1 4.28Å; I216-I218 HydrophobicContact CG1-CG1 4.22Å; I218-Y225 HydrophobicContact CB-CD1 4.41Å; I218-Y225 HydrophobicContact CB-CE1 4.39Å; I218-Y225 HydrophobicContact CG1-CD1 4.02Å; I218-Y225 HydrophobicContact CG1-CE1 4.06Å; I218-Y225 HydrophobicContact CG2-CD1 4.33Å; I218-Y225 HydrophobicContact CG2-CE1 3.88Å; I218-L242 HydrophobicContact CD1-CB 4.28Å; I218-L242 HydrophobicContact CD1-CD1 4.25Å; I218-L242 HydrophobicContact CD1-CD2 4.26Å; I218-L242 HydrophobicContact CD1-CG 4.49Å
219M93.8Very high95.1Very high43 Ų4355.7 Ų55.721%0.21228%0.28CS..EExtended strand (participates in β ladder)trans-97.9135.4-177-50.8-60.6-6700110.2I158 K217 V221 G222 Q223 S224I158-M219 HydrophobicContact CB-CE 3.99Å; I158-M219 HydrophobicContact CB-SD 3.79Å; I158-M219 HydrophobicContact CD1-CE 4.03Å; I158-M219 HydrophobicContact CD1-SD 3.66Å; I158-M219 HydrophobicContact CG1-SD 4.09Å; I158-M219 HydrophobicContact CG2-CE 3.78Å; I158-M219 HydrophobicContact CG2-SD 4.28Å; I158-M219 CarbonylContact O-C 3.56Å; K217-M219 HydrophobicContact CB-SD 4.26Å; M219-V221 VanDerWaalsContact C-N 3.34Å; M219-V221 PolarHBondContact O-N 3.13Å; M219-G222 PolarHBondContact O-N 2.94Å; M219-Q223 PolarHBondContact O-N 3.03Å; M219-S224 WeakPolarHBondContact CB-O 3.39Å; M219-S224 VanDerWaalsContact CB-OG 3.31Å; M219-S224 WeakPolarHBondContact CB-OG 3.47Å; M219-S224 PolarHBondContact N-O 2.91Å; M219-S224 PolarHBondContact O-N 3.34Å
220D89.4Confident95.1Very high37 Ų3753 Ų5320%0.19827%0.268CS..G310 helixtrans45.656.1171.7-60.1-45.6000112.8I158 C159 V160 G222 Q223I158-D220 PolarHBondContact O-N 3.08Å; C159-D220 WeakPolarHBondContact CA-OD1 3.48Å; V160-D220 WeakPolarHBondContact CG2-OD1 3.15Å; V160-D220 PolarHBondContact N-OD1 3.33Å; D220-G222 PolarHBondContact O-N 3.44Å; D220-Q223 HydrophobicContact CB-CB 4.29Å; D220-Q223 HydrophobicContact CB-CG 4.34Å; D220-Q223 VanDerWaalsContact O-CG 3.3Å; D220-Q223 WeakPolarHBondContact O-CG 3.36Å; D220-Q223 PolarHBondContact O-N 2.92Å
221V86Confident94.8Very high54 Ų5455.2 Ų55.233%0.32729%0.289SS..G310 helixtrans62.530.1174.9-152.40000113.4V164 M219 V247V164-V221 HydrophobicContact CB-CG2 4.43Å; V164-V221 HydrophobicContact CG1-CG2 3.63Å; V164-V221 HydrophobicContact CG2-CG2 4.13Å; M219-V221 VanDerWaalsContact C-N 3.34Å; M219-V221 PolarHBondContact O-N 3.13Å; V221-V247 HydrophobicContact CG1-CB 4.21Å; V221-V247 HydrophobicContact CG1-CG1 3.81Å; V221-V247 HydrophobicContact CG1-CG2 3.33Å
222G88.8Confident94.7Very high20 Ų2049.5 Ų49.521%0.20627%0.27CS..G310 helixtrans95.517.3175.300000114.6M219 D220 Y225M219-G222 PolarHBondContact O-N 2.94Å; D220-G222 PolarHBondContact O-N 3.44Å; G222-Y225 WeakPolarHBondContact CA-OH 3.38Å; G222-Y225 VanDerWaalsContact O-CE2 3.25Å; G222-Y225 WeakPolarHBondContact O-CE2 3.2Å; G222-Y225 PolarHBondContact O-OH 3.31Å
223Q89.5Confident94.6Very high158 Ų15850.9 Ų50.974%0.73827%0.273SS*.THydrogen-bonded Turntrans-68-36.6171.9-75.4-179.118.400112.4M219 D220M219-Q223 PolarHBondContact O-N 3.03Å; D220-Q223 HydrophobicContact CB-CB 4.29Å; D220-Q223 HydrophobicContact CB-CG 4.34Å; D220-Q223 VanDerWaalsContact O-CG 3.3Å; D220-Q223 WeakPolarHBondContact O-CG 3.36Å; D220-Q223 PolarHBondContact O-N 2.92Å
224S94.2Very high94.4Very high61 Ų6150.9 Ų50.943%0.42727%0.273SS..EExtended strand (participates in β ladder)trans-146.1159.6173.264.90000111.8M219M219-S224 WeakPolarHBondContact CB-O 3.39Å; M219-S224 VanDerWaalsContact CB-OG 3.31Å; M219-S224 WeakPolarHBondContact CB-OG 3.47Å; M219-S224 PolarHBondContact N-O 2.91Å; M219-S224 PolarHBondContact O-N 3.34Å
225Y95.9Very high94.3Very high60 Ų6050 Ų5024%0.23527%0.267CS..EExtended strand (participates in β ladder)trans-135.3139.6-175.2-55.2-91.8000110.3I216 K217 I218 G222 L242 M243I216-Y225 HydrophobicContact CD1-CD1 3.99Å; I216-Y225 HydrophobicContact CG1-CD1 4.47Å; K217-Y225 VanDerWaalsContact O-CA 3.26Å; K217-Y225 WeakPolarHBondContact O-CA 3.4Å; I218-Y225 HydrophobicContact CB-CD1 4.41Å; I218-Y225 HydrophobicContact CB-CE1 4.39Å; I218-Y225 HydrophobicContact CG1-CD1 4.02Å; I218-Y225 HydrophobicContact CG1-CE1 4.06Å; I218-Y225 HydrophobicContact CG2-CD1 4.33Å; I218-Y225 HydrophobicContact CG2-CE1 3.88Å; G222-Y225 WeakPolarHBondContact CA-OH 3.38Å; G222-Y225 VanDerWaalsContact O-CE2 3.25Å; G222-Y225 WeakPolarHBondContact O-CE2 3.2Å; G222-Y225 PolarHBondContact O-OH 3.31Å; Y225-L242 PolarHBondContact OH-O 3.43Å; Y225-M243 HydrophobicContact CD1-CG 4.11Å; Y225-M243 HydrophobicContact CD2-CE 4.48Å; Y225-M243 HydrophobicContact CD2-CG 4.17Å; Y225-M243 HydrophobicContact CE1-CG 4.13Å; Y225-M243 HydrophobicContact CE2-CG 4.23Å; Y225-M243 HydrophobicContact CG-CG 4.13Å
226V96.9Very high94.2Very high43 Ų4353 Ų5326%0.26129%0.288SS..EExtended strand (participates in β ladder)trans-115.8122.1165.9-178.50000107.4E207 Y215 I216 K217E207-V226 HydrophobicContact CG-CG1 4.47Å; Y215-V226 HydrophobicContact CE2-CG1 4.2Å; I216-V226 CarbonylContact C-O 3.55Å; I216-V226 VanDerWaalsContact CA-O 3.29Å; I216-V226 WeakPolarHBondContact CA-O 3.35Å; K217-V226 HydrophobicContact CB-CB 4.11Å; K217-V226 HydrophobicContact CD-CB 4.27Å; K217-V226 HydrophobicContact CG-CB 4.34Å; K217-V226 PolarHBondContact N-O 3.36Å; K217-V226 PolarHBondContact O-N 2.91Å
227V97.8Very high94Very high59 Ų5955.8 Ų55.836%0.35830%0.299SS..EExtended strand (participates in β ladder)trans-119.6127.1-178.8-177.30000108.8Y215 I216 V230 V239Y215-V227 WeakPolarHBondContact O-CA 3.2Å; I216-V227 HydrophobicContact CB-CG2 4.42Å; I216-V227 HydrophobicContact CD1-CG2 4.15Å; I216-V227 HydrophobicContact CG1-CG2 3.99Å; V227-V230 HydrophobicContact CG1-CG2 3.41Å; V227-V230 VanDerWaalsContact CG1-CG2 3.41Å; V227-V239 HydrophobicContact CG1-CG1 4.33Å; V227-V239 HydrophobicContact CG1-CG2 4Å; V227-V239 HydrophobicContact CG2-CG1 3.87Å
228N98.1Very high94Very high37 Ų3754.4 Ų54.420%0.19829%0.292CS..EExtended strand (participates in β ladder)trans-123.9136.4179.6-170.650.9000111.5R211 L213 S214 Y215 V230R211-N228 PolarHBondContact O-ND2 3.21Å; L213-N228 PolarHBondContact O-ND2 3.04Å; S214-N228 WeakPolarHBondContact CA-O 3.07Å; Y215-N228 HydrophobicContact CD1-CB 3.74Å; Y215-N228 HydrophobicContact CD2-CB 4.04Å; Y215-N228 HydrophobicContact CE1-CB 3.36Å; Y215-N228 WeakPolarHBondContact CE1-ND2 3.36Å; Y215-N228 HydrophobicContact CE2-CB 3.68Å; Y215-N228 HydrophobicContact CG-CB 4.06Å; Y215-N228 PolarHBondContact N-O 3.48Å; Y215-N228 PolarHBondContact O-N 2.94Å; N228-V230 PolarHBondContact O-N 2.89Å
229R96.4Very high94Very high133 Ų13354.7 Ų54.750%0.50229%0.294SS..  trans41.361.3172.3-69-166.4172.2-170.28.8115.8R211 D212 S214 A231R211-R229 WeakPolarHBondContact O-CD 3.46Å; R211-R229 PolarHBondContact O-NE 3.39Å; D212-R229 IonicContact OD1-CZ 3.49Å; D212-R229 IonicContact OD1-NH1 2.66Å; D212-R229 PolarHBondContact OD1-NH1 3.12Å; D212-R229 IonicContact OD1-NH2 3.47Å; D212-R229 PolarHBondContact OD1-NH2 3.35Å; S214-R229 WeakPolarHBondContact CB-O 3.15Å; S214-R229 PolarHBondContact OG-O 2.9Å; R229-A231 PolarHBondContact O-N 3.32Å; R229-A231 VanDerWaalsContact O-N 3.12Å
230V95.7Very high94.1Very high62 Ų6257.8 Ų57.838%0.37631%0.305SS..  trans-63.8113.3171.1-177.30000109.6V227 N228 Q235 V239V227-V230 HydrophobicContact CG1-CG2 3.41Å; V227-V230 VanDerWaalsContact CG1-CG2 3.41Å; N228-V230 PolarHBondContact O-N 2.89Å; V230-Q235 HydrophobicContact CG1-CB 3.81Å; V230-V239 HydrophobicContact CG2-CG2 4.28Å
231A92.3Very high94.5Very high62 Ų6256 Ų5651%0.51230%0.295SS..  trans-89.1-21.8-168.700000114R229R229-A231 PolarHBondContact O-N 3.32Å; R229-A231 VanDerWaalsContact O-N 3.12Å
232D93.3Very high95Very high34 Ų3453.5 Ų53.518%0.18228%0.28CS..SBendtrans-158.3180-177.862.530.2000113.6K151 I234 Q235 S236K151-D232 WeakPolarHBondContact CD-OD2 3.29Å; K151-D232 IonicContact NZ-OD2 3.26Å; K151-D232 PolarHBondContact NZ-OD2 3.38Å; D232-I234 WeakPolarHBondContact OD1-CG2 3.18Å; D232-I234 PolarHBondContact OD1-N 2.87Å; D232-I234 VanDerWaalsContact OD1-N 3.11Å; D232-Q235 PolarHBondContact O-N 3.23Å; D232-Q235 WeakPolarHBondContact OD1-CB 3.32Å; D232-Q235 WeakPolarHBondContact OD1-CG 3.29Å; D232-Q235 PolarHBondContact OD1-N 3.44Å; D232-S236 WeakPolarHBondContact O-CB 3.41Å; D232-S236 PolarHBondContact O-N 3.21Å
233H92.4Very high95.2Very high118 Ų11857 Ų5755%0.54629%0.292SS..Hα-helixtrans-66.2-33179.9164.5-95.8000113.4S236 R237H233-S236 PolarHBondContact O-N 3.38Å; H233-R237 VanDerWaalsContact CE1-CZ 3.43Å; H233-R237 PolarHBondContact CE1-NE 2.92Å; H233-R237 PolarHBondContact CE1-NH2 3.28Å; H233-R237 VanDerWaalsContact NE2-CZ 3.35Å; H233-R237 PolarHBondContact NE2-NE 3.03Å; H233-R237 PolarHBondContact NE2-NH2 2.86Å; H233-R237 WeakPolarHBondContact O-CG 3.49Å; H233-R237 PolarHBondContact O-N 2.55Å
234I93.2Very high95.4Very high28 Ų2851 Ų5114%0.14427%0.265CS..Hα-helixtrans-69.4-42.2178.4-167.764.5000110.4L63 V68 V125 D232 S236 R237 I238L63-I234 HydrophobicContact CD2-CD1 3.79Å; V68-I234 HydrophobicContact CG1-CD1 4.22Å; V68-I234 HydrophobicContact CG2-CD1 4.12Å; V125-I234 HydrophobicContact CG2-CG1 4.21Å; D232-I234 WeakPolarHBondContact OD1-CG2 3.18Å; D232-I234 PolarHBondContact OD1-N 2.87Å; D232-I234 VanDerWaalsContact OD1-N 3.11Å; I234-S236 VanDerWaalsContact C-N 3.35Å; I234-S236 PolarHBondContact O-N 3.24Å; I234-R237 PolarHBondContact O-N 3.39Å; I234-I238 HydrophobicContact CG1-CD1 4.17Å; I234-I238 WeakPolarHBondContact O-CD1 3.3Å; I234-I238 WeakPolarHBondContact O-CG1 3.41Å; I234-I238 PolarHBondContact O-N 3.38Å
235Q95.8Very high95.3Very high1 Ų148.9 Ų48.91%0.00525%0.249CC..Hα-helixtrans-62.8-41.4173.3-67.4-178.36.700111.6F153 V230 D232 R237 I238 V239F153-Q235 HydrophobicContact CB-CG 4.13Å; F153-Q235 HydrophobicContact CD2-CB 4.25Å; F153-Q235 HydrophobicContact CD2-CG 3.84Å; F153-Q235 HydrophobicContact CE2-CB 4.34Å; F153-Q235 HydrophobicContact CE2-CG 4.42Å; F153-Q235 HydrophobicContact CG-CG 3.92Å; V230-Q235 HydrophobicContact CG1-CB 3.81Å; D232-Q235 PolarHBondContact O-N 3.23Å; D232-Q235 WeakPolarHBondContact OD1-CB 3.32Å; D232-Q235 WeakPolarHBondContact OD1-CG 3.29Å; D232-Q235 PolarHBondContact OD1-N 3.44Å; Q235-R237 VanDerWaalsContact C-N 3.35Å; Q235-R237 PolarHBondContact O-N 2.77Å; Q235-I238 PolarHBondContact O-N 3.09Å; Q235-V239 WeakPolarHBondContact O-CG2 3.41Å; Q235-V239 PolarHBondContact O-N 2.91Å
236S96.2Very high94.8Very high63 Ų6347.6 Ų47.644%0.44125%0.245SC..Hα-helixtrans-59.8-43.3175179.90000112.2D232 H233 I234 V239 Y240D232-S236 WeakPolarHBondContact O-CB 3.41Å; D232-S236 PolarHBondContact O-N 3.21Å; H233-S236 PolarHBondContact O-N 3.38Å; I234-S236 VanDerWaalsContact C-N 3.35Å; I234-S236 PolarHBondContact O-N 3.24Å; S236-V239 PolarHBondContact O-N 2.93Å; S236-Y240 WeakPolarHBondContact O-CB 3.29Å; S236-Y240 PolarHBondContact O-N 2.89Å
237R94.9Very high94Very high60 Ų6049 Ų4923%0.22625%0.254CS..Hα-helixtrans-65.4-39.4174.2-72.3-156.3-164.5-146.89.9113.2H233 I234 Q235 Y240 Y241 E374H233-R237 VanDerWaalsContact CE1-CZ 3.43Å; H233-R237 PolarHBondContact CE1-NE 2.92Å; H233-R237 PolarHBondContact CE1-NH2 3.28Å; H233-R237 VanDerWaalsContact NE2-CZ 3.35Å; H233-R237 PolarHBondContact NE2-NE 3.03Å; H233-R237 PolarHBondContact NE2-NH2 2.86Å; H233-R237 WeakPolarHBondContact O-CG 3.49Å; H233-R237 PolarHBondContact O-N 2.55Å; I234-R237 PolarHBondContact O-N 3.39Å; Q235-R237 VanDerWaalsContact C-N 3.35Å; Q235-R237 PolarHBondContact O-N 2.77Å; R237-Y240 PolarHBondContact O-N 3.34Å; R237-Y241 WeakPolarHBondContact O-CB 3.37Å; R237-Y241 PolarHBondContact O-N 3.23Å; R237-E374 IonicContact CZ-OE1 3.84Å; R237-E374 IonicContact CZ-OE2 3.76Å; R237-E374 IonicContact NH1-OE1 2.73Å; R237-E374 PolarHBondContact NH1-OE1 2.68Å; R237-E374 IonicContact NH1-OE2 3.06Å; R237-E374 PolarHBondContact NH1-OE2 3.19Å
238I96.7Very high93.3Very high0 Ų049 Ų490%025%0.254CS..Hα-helixtrans-60.1-48.5175.5-68.3157.2000109.6I42 L59 L63 F153 I234 Q235 Y240 Y241 L242I42-I238 HydrophobicContact CD1-CD1 3.49Å; I42-I238 VanDerWaalsContact CD1-CD1 3.49Å; I42-I238 HydrophobicContact CD1-CG1 4.26Å; I42-I238 HydrophobicContact CG1-CD1 4.31Å; L59-I238 HydrophobicContact CD1-CB 4.38Å; L59-I238 HydrophobicContact CD1-CG1 4.11Å; L59-I238 HydrophobicContact CD1-CG2 3.98Å; L59-I238 HydrophobicContact CD2-CG1 4.5Å; L59-I238 HydrophobicContact CD2-CG2 3.85Å; L63-I238 HydrophobicContact CD1-CG1 4.43Å; L63-I238 HydrophobicContact CD2-CG1 4.45Å; F153-I238 HydrophobicContact CD1-CG2 4.23Å; F153-I238 HydrophobicContact CE1-CB 4.36Å; F153-I238 HydrophobicContact CE1-CG2 3.7Å; I234-I238 HydrophobicContact CG1-CD1 4.17Å; I234-I238 WeakPolarHBondContact O-CD1 3.3Å; I234-I238 WeakPolarHBondContact O-CG1 3.41Å; I234-I238 PolarHBondContact O-N 3.38Å; Q235-I238 PolarHBondContact O-N 3.09Å; I238-Y240 PolarHBondContact O-N 3.47Å; I238-Y241 PolarHBondContact O-N 2.92Å; I238-L242 HydrophobicContact CG2-CD1 3.63Å; I238-L242 HydrophobicContact CG2-CG 4.23Å; I238-L242 WeakPolarHBondContact O-CB 3.33Å; I238-L242 WeakPolarHBondContact O-CG 3.37Å; I238-L242 PolarHBondContact O-N 2.86Å
239V97.2Very high92.6Very high15 Ų1552.9 Ų52.99%0.09128%0.281CS..Hα-helixtrans-57.9-50.1176.21700000110.6F153 I216 V227 V230 Q235 S236 Y241 L242 M243F153-V239 HydrophobicContact CZ-CG2 3.77Å; I216-V239 HydrophobicContact CB-CG2 4.47Å; I216-V239 HydrophobicContact CD1-CG1 4.24Å; I216-V239 HydrophobicContact CD1-CG2 4.3Å; V227-V239 HydrophobicContact CG1-CG1 4.33Å; V227-V239 HydrophobicContact CG1-CG2 4Å; V227-V239 HydrophobicContact CG2-CG1 3.87Å; V230-V239 HydrophobicContact CG2-CG2 4.28Å; Q235-V239 WeakPolarHBondContact O-CG2 3.41Å; Q235-V239 PolarHBondContact O-N 2.91Å; S236-V239 PolarHBondContact O-N 2.93Å; V239-Y241 VanDerWaalsContact C-N 3.34Å; V239-Y241 PolarHBondContact O-N 3.33Å; V239-L242 PolarHBondContact O-N 3.49Å; V239-M243 HydrophobicContact CG1-CG 4.4Å; V239-M243 HydrophobicContact CG1-SD 3.73Å; V239-M243 VanDerWaalsContact O-CG 3.27Å; V239-M243 WeakPolarHBondContact O-CG 3.26Å; V239-M243 PolarHBondContact O-N 3.29Å
240Y96.4Very high92.4Very high108 Ų10847.1 Ų47.142%0.42426%0.259SS..Hα-helixtrans-57-45.4178.2172.2-121.1000112.4S236 R237 I238 M243 N244 M378S236-Y240 WeakPolarHBondContact O-CB 3.29Å; S236-Y240 PolarHBondContact O-N 2.89Å; R237-Y240 PolarHBondContact O-N 3.34Å; I238-Y240 PolarHBondContact O-N 3.47Å; Y240-M243 PolarHBondContact O-N 3.31Å; Y240-N244 WeakPolarHBondContact CD2-ND2 3.38Å; Y240-N244 WeakPolarHBondContact CE2-ND2 3.05Å; Y240-N244 PolarHBondContact O-N 3.29Å; Y240-N244 PolarHBondContact O-ND2 3.04Å; Y240-M378 HydrophobicContact CD1-CG 4.47Å; Y240-M378 HydrophobicContact CD1-SD 4.06Å; Y240-M378 HydrophobicContact CE1-CB 4.34Å; Y240-M378 HydrophobicContact CE1-CG 3.52Å; Y240-M378 HydrophobicContact CE1-SD 3.66Å
241Y96.9Very high92.4Very high0 Ų045.1 Ų45.10%025%0.248CC..Hα-helixtrans-61.9-48.8176.4179-107.5000111.9K58 L59 Y62 R237 I238 V239 M243 N244 I245 M378 E381 Y401K58-Y241 HydrophobicContact CB-CE1 4.32Å; K58-Y241 PolarHBondContact O-OH 3.02Å; L59-Y241 HydrophobicContact CB-CE1 4.49Å; L59-Y241 HydrophobicContact CD1-CD1 3.65Å; L59-Y241 HydrophobicContact CD1-CE1 4.22Å; L59-Y241 HydrophobicContact CD1-CG 4.49Å; Y62-Y241 AromaticContact CD1-CD1 3.99Å; Y62-Y241 HydrophobicContact CD1-CD1 3.99Å; Y62-Y241 AromaticContact CD1-CD2 3.75Å; Y62-Y241 HydrophobicContact CD1-CD2 3.75Å; Y62-Y241 HydrophobicContact CD1-CE1 4.41Å; Y62-Y241 HydrophobicContact CD1-CE2 4.18Å; Y62-Y241 AromaticContact CD1-CG 3.61Å; Y62-Y241 HydrophobicContact CD1-CG 3.61Å; Y62-Y241 AromaticContact CD2-CD2 3.97Å; Y62-Y241 HydrophobicContact CD2-CD2 3.97Å; Y62-Y241 HydrophobicContact CD2-CE2 4.02Å; Y62-Y241 HydrophobicContact CE1-CD2 4.11Å; Y62-Y241 AromaticContact CE1-CG 3.94Å; Y62-Y241 HydrophobicContact CE1-CG 3.94Å; Y62-Y241 HydrophobicContact CE2-CD2 4.34Å; Y62-Y241 HydrophobicContact CG-CD1 4.38Å; Y62-Y241 AromaticContact CG-CD2 3.66Å; Y62-Y241 HydrophobicContact CG-CD2 3.66Å; Y62-Y241 HydrophobicContact CG-CE1 4.41Å; Y62-Y241 AromaticContact CG-CE2 3.68Å; Y62-Y241 HydrophobicContact CG-CE2 3.68Å; Y62-Y241 AromaticContact CG-CG 4Å; Y62-Y241 HydrophobicContact CG-CG 4Å; R237-Y241 WeakPolarHBondContact O-CB 3.37Å; R237-Y241 PolarHBondContact O-N 3.23Å; I238-Y241 PolarHBondContact O-N 2.92Å; V239-Y241 VanDerWaalsContact C-N 3.34Å; V239-Y241 PolarHBondContact O-N 3.33Å; Y241-M243 PolarHBondContact O-N 3.42Å; Y241-N244 PolarHBondContact O-N 3.04Å; Y241-I245 HydrophobicContact CD1-CG2 4.28Å; Y241-I245 HydrophobicContact CD2-CG2 4.3Å; Y241-I245 HydrophobicContact CE1-CG2 3.81Å; Y241-I245 HydrophobicContact CE2-CG2 3.86Å; Y241-I245 PolarHBondContact O-N 3.26Å; Y241-M378 HydrophobicContact CD2-CE 3.56Å; Y241-M378 HydrophobicContact CD2-SD 3.9Å; Y241-M378 HydrophobicContact CE2-CE 4Å; Y241-E381 HydrophobicContact CE2-CG 4.18Å; Y241-Y401 PolarHBondContact OH-OH 3.23Å
242L95.7Very high92.6Very high1 Ų142.2 Ų42.21%0.00522%0.223CC..Hα-helixtrans-62.8-29.2-178.6-68.1172.8000112.7I55 V155 I216 I218 Y225 I238 V239 N244 I245I55-L242 HydrophobicContact CG2-CD2 3.49Å; I55-L242 VanDerWaalsContact CG2-CD2 3.49Å; V155-L242 HydrophobicContact CG1-CD1 3.97Å; V155-L242 HydrophobicContact CG2-CD1 4.13Å; I216-L242 HydrophobicContact CD1-CB 4.22Å; I216-L242 HydrophobicContact CD1-CD1 4.29Å; I216-L242 HydrophobicContact CG2-CD1 3.89Å; I218-L242 HydrophobicContact CD1-CB 4.28Å; I218-L242 HydrophobicContact CD1-CD1 4.25Å; I218-L242 HydrophobicContact CD1-CD2 4.26Å; I218-L242 HydrophobicContact CD1-CG 4.49Å; Y225-L242 PolarHBondContact OH-O 3.43Å; I238-L242 HydrophobicContact CG2-CD1 3.63Å; I238-L242 HydrophobicContact CG2-CG 4.23Å; I238-L242 WeakPolarHBondContact O-CB 3.33Å; I238-L242 WeakPolarHBondContact O-CG 3.37Å; I238-L242 PolarHBondContact O-N 2.86Å; V239-L242 PolarHBondContact O-N 3.49Å; L242-N244 VanDerWaalsContact C-N 3.34Å; L242-I245 HydrophobicContact CD2-CD1 3.98Å; L242-I245 WeakPolarHBondContact O-CG1 3.4Å
243M94.7Very high92.9Very high95 Ų9540.9 Ų40.947%0.46822%0.216SC..Hα-helixtrans-76.5-16.8175.7-69.917671.800114.1Y225 V239 Y240 Y241Y225-M243 HydrophobicContact CD1-CG 4.11Å; Y225-M243 HydrophobicContact CD2-CE 4.48Å; Y225-M243 HydrophobicContact CD2-CG 4.17Å; Y225-M243 HydrophobicContact CE1-CG 4.13Å; Y225-M243 HydrophobicContact CE2-CG 4.23Å; Y225-M243 HydrophobicContact CG-CG 4.13Å; V239-M243 HydrophobicContact CG1-CG 4.4Å; V239-M243 HydrophobicContact CG1-SD 3.73Å; V239-M243 VanDerWaalsContact O-CG 3.27Å; V239-M243 WeakPolarHBondContact O-CG 3.26Å; V239-M243 PolarHBondContact O-N 3.29Å; Y240-M243 PolarHBondContact O-N 3.31Å; Y241-M243 PolarHBondContact O-N 3.42Å
244N93.8Very high93.2Very high30 Ų3035.2 Ų35.216%0.1619%0.19CC..Hα-helixtrans-102.7-14.4-178.8-76-77.7000113.8Y240 Y241 L242 E381 R382Y240-N244 WeakPolarHBondContact CD2-ND2 3.38Å; Y240-N244 WeakPolarHBondContact CE2-ND2 3.05Å; Y240-N244 PolarHBondContact O-N 3.29Å; Y240-N244 PolarHBondContact O-ND2 3.04Å; Y241-N244 PolarHBondContact O-N 3.04Å; L242-N244 VanDerWaalsContact C-N 3.34Å; N244-E381 CarbonylContact O-C 3.59Å; N244-E381 VanDerWaalsContact O-C 3.25Å; N244-E381 VanDerWaalsContact O-O 3.12Å; N244-R382 VanDerWaalsContact O-CA 3.27Å; N244-R382 WeakPolarHBondContact O-CA 3.39Å; N244-R382 PolarHBondContact O-N 2.66Å
245I91.2Very high93.4Very high18 Ų1833.9 Ų33.99%0.09218%0.183CC..  trans-80.1145.7178.161.2171.5000111.4K58 Y241 L242 E381K58-I245 HydrophobicContact CD-CG2 4.45Å; Y241-I245 HydrophobicContact CD1-CG2 4.28Å; Y241-I245 HydrophobicContact CD2-CG2 4.3Å; Y241-I245 HydrophobicContact CE1-CG2 3.81Å; Y241-I245 HydrophobicContact CE2-CG2 3.86Å; Y241-I245 PolarHBondContact O-N 3.26Å; L242-I245 HydrophobicContact CD2-CD1 3.98Å; L242-I245 WeakPolarHBondContact O-CG1 3.4Å; I245-E381 HydrophobicContact CG2-CB 4.13Å; I245-E381 HydrophobicContact CG2-CG 4.22Å
246H85.1Confident93.6Very high33 Ų3334.1 Ų34.115%0.15318%0.184CC..  trans-136.4164.2167.465.898.5000111.3Y54 T248 R250 E381 R382 Q383Y54-H246 PolarHBondContact OH-O 3.4Å; Y54-H246 VanDerWaalsContact OH-O 3.09Å; H246-T248 PolarHBondContact CE1-OG1 3.34Å; H246-T248 PolarHBondContact ND1-N 3.26Å; H246-T248 PolarHBondContact ND1-OG1 2.79Å; H246-R250 VanDerWaalsContact CE1-CZ 3.43Å; H246-R250 PolarHBondContact CE1-NH1 3.1Å; H246-R250 PolarHBondContact ND1-NH1 3.4Å; H246-R250 VanDerWaalsContact NE2-CZ 3.27Å; H246-R250 PolarHBondContact NE2-NH1 3.36Å; H246-R250 PolarHBondContact O-NH1 2.99Å; H246-E381 PolarHBondContact CD2-O 3.09Å; H246-E381 PolarHBondContact NE2-O 3.49Å; H246-R382 PolarHBondContact CD2-O 3.2Å; H246-R382 PolarHBondContact NE2-O 3.14Å; H246-Q383 PolarHBondContact NE2-O 3.22Å; H246-Q383 VanDerWaalsContact NE2-O 3.09Å
247V80.8Confident93.7Very high73 Ų7331.3 Ų31.344%0.44216%0.164SC..  trans-101.9-3.4-178.7-54.70000113.7Y54 V221Y54-V247 HydrophobicContact CD1-CG1 4.32Å; Y54-V247 HydrophobicContact CE1-CG1 3.7Å; V221-V247 HydrophobicContact CG1-CB 4.21Å; V221-V247 HydrophobicContact CG1-CG1 3.81Å; V221-V247 HydrophobicContact CG1-CG2 3.33Å
248T81.9Confident93.9Very high59 Ų5928.5 Ų28.536%0.36215%0.153SC..SBendtrans-60.8132.6-177.862.90000110.3H246 R250 E384H246-T248 PolarHBondContact CE1-OG1 3.34Å; H246-T248 PolarHBondContact ND1-N 3.26Å; H246-T248 PolarHBondContact ND1-OG1 2.79Å; T248-R250 PolarHBondContact O-N 3.28Å; T248-E384 PolarHBondContact OG1-OE1 3.21Å
249P84.2Confident94Very high118 Ų11828.5 Ų28.577%0.76615%0.153SC*.  trans-58.3133.8177-23.733.5000110.9
250R92.2Very high94Very high12 Ų1227.9 Ų27.95%0.04515%0.15CC..  trans-155.8165.3-17663.5179.5-177.6-90.122.5112.3H246 T248 L380 E381 Q383 E384 P425H246-R250 VanDerWaalsContact CE1-CZ 3.43Å; H246-R250 PolarHBondContact CE1-NH1 3.1Å; H246-R250 PolarHBondContact ND1-NH1 3.4Å; H246-R250 VanDerWaalsContact NE2-CZ 3.27Å; H246-R250 PolarHBondContact NE2-NH1 3.36Å; H246-R250 PolarHBondContact O-NH1 2.99Å; T248-R250 PolarHBondContact O-N 3.28Å; R250-L380 PolarHBondContact NH2-O 3.35Å; R250-E381 PolarHBondContact NH2-O 3.01Å; R250-E381 IonicContact NH2-OE2 3.6Å; R250-E381 PolarHBondContact NH2-OE2 2.79Å; R250-Q383 WeakPolarHBondContact CD-O 3.24Å; R250-Q383 PolarHBondContact NE-O 3.26Å; R250-E384 HydrophobicContact CB-CB 4.23Å; R250-E384 WeakPolarHBondContact CB-O 3.41Å; R250-E384 WeakPolarHBondContact CD-O 3.4Å; R250-P425 HydrophobicContact CG-CG 4.44Å; R250-P425 WeakPolarHBondContact O-CD 3.36Å
251S94.8Very high94.1Very high20 Ų2026.2 Ų26.214%0.1415%0.146CC..  trans-121.2130.4174.5-62.90000111.7N385 V386 L423S251-N385 PolarHBondContact N-OD1 2.74Å; S251-N385 WeakPolarHBondContact O-CA 3.46Å; S251-V386 PolarHBondContact O-N 3.36Å; S251-L423 WeakPolarHBondContact CA-O 3.49Å
252I97.4Very high94.1Very high0 Ų027.2 Ų27.20%015%0.151CC..EExtended strand (participates in β ladder)trans-109.2122.8172.3-60.2168.2000107.6L254 L380 V386 F402 L423 P425I252-L254 HydrophobicContact CG2-CD2 3.96Å; I252-L254 HydrophobicContact CG2-CG 4.34Å; I252-L380 HydrophobicContact CD1-CB 4.5Å; I252-L380 HydrophobicContact CG2-CD2 4.21Å; I252-V386 CarbonylContact C-O 3.21Å; I252-V386 WeakPolarHBondContact CA-O 3.31Å; I252-F402 HydrophobicContact CD1-CE1 3.59Å; I252-F402 HydrophobicContact CD1-CE2 4.31Å; I252-F402 HydrophobicContact CD1-CZ 3.47Å; I252-F402 VanDerWaalsContact CD1-CZ 3.47Å; I252-L423 HydrophobicContact CB-CB 4.13Å; I252-L423 HydrophobicContact CG2-CD1 4.49Å; I252-L423 PolarHBondContact N-O 2.79Å; I252-L423 WeakPolarHBondContact O-CA 3.45Å; I252-L423 WeakPolarHBondContact O-CB 3.36Å; I252-L423 PolarHBondContact O-N 3.13Å; I252-P425 HydrophobicContact CD1-CG 4.44Å
253Y98.5Very high94.2Very high6 Ų628.1 Ų28.12%0.02416%0.156CC..EExtended strand (participates in β ladder)trans-102.3123.2177.4-58.2-93.5000108.7F288 I294 V386 L387 V388 V420 L421 K422Y253-F288 HydrophobicContact CD1-CE1 4.26Å; Y253-F288 HydrophobicContact CE1-CE1 4.3Å; Y253-F288 HydrophobicContact CE1-CZ 4.44Å; Y253-I294 HydrophobicContact CD2-CD1 4.27Å; Y253-I294 HydrophobicContact CE1-CD1 4.44Å; Y253-I294 HydrophobicContact CE2-CD1 3.44Å; Y253-I294 VanDerWaalsContact CE2-CD1 3.44Å; Y253-I294 HydrophobicContact CE2-CG1 4.4Å; Y253-I294 WeakPolarHBondContact OH-CD1 3.27Å; Y253-V386 PolarHBondContact N-O 3.42Å; Y253-L387 CarbonylContact O-C 3.54Å; Y253-L387 WeakPolarHBondContact O-CA 3.31Å; Y253-V388 PolarHBondContact O-N 3.31Å; Y253-V420 HydrophobicContact CD1-CG1 3.92Å; Y253-L421 WeakPolarHBondContact CA-O 3.36Å; Y253-K422 HydrophobicContact CD1-CB 4.02Å; Y253-K422 HydrophobicContact CD1-CG 4.11Å; Y253-K422 HydrophobicContact CE1-CB 4Å; Y253-K422 HydrophobicContact CE1-CD 3.84Å; Y253-K422 HydrophobicContact CE1-CG 3.69Å
254L98.7Very high94.3Very high0 Ų026 Ų260%015%0.146CC..EExtended strand (participates in β ladder)trans-113.3127.4174-58.6-175.5000109.2I252 V388 M395 L398 L421 L423I252-L254 HydrophobicContact CG2-CD2 3.96Å; I252-L254 HydrophobicContact CG2-CG 4.34Å; L254-V388 HydrophobicContact CD2-CB 3.7Å; L254-V388 HydrophobicContact CD2-CG1 4.47Å; L254-V388 HydrophobicContact CD2-CG2 3.96Å; L254-M395 HydrophobicContact CB-CE 3.88Å; L254-M395 HydrophobicContact CB-CG 4.33Å; L254-M395 WeakPolarHBondContact O-CE 3.1Å; L254-L398 HydrophobicContact CD1-CB 4.08Å; L254-L398 HydrophobicContact CD2-CD1 4.21Å; L254-L421 HydrophobicContact CB-CB 4.48Å; L254-L421 PolarHBondContact N-O 3.34Å; L254-L421 PolarHBondContact O-N 3.21Å; L254-L423 HydrophobicContact CD1-CD1 3.57Å; L254-L423 HydrophobicContact CD1-CG 4.48Å; L254-L423 HydrophobicContact CG-CD1 3.95Å
255C98.8Very high94.4Very high0 Ų030.4 Ų30.40%016%0.164CC..EExtended strand (participates in β ladder)trans-142.9163.4166.868.70000110.7F281 V388 I389 C390 V420C255-F281 HydrophobicContact CB-CZ 4.4Å; C255-V388 PolarHBondContact N-O 3.34Å; C255-V388 VanDerWaalsContact O-O 3.12Å; C255-I389 WeakPolarHBondContact O-CA 3.37Å; C255-C390 PolarHBondContact O-N 3.43Å; C255-V420 HydrophobicContact CB-CG2 4.21Å
256R98.8Very high94.6Very high6 Ų630 Ų302%0.02317%0.165CC..EExtended strand (participates in β ladder)trans-83162.7168.1-69.4167.859.2-1800.2109.6C390 M395 C415 L417 T444R256-C390 CarbonylContact C-O 3.52Å; R256-C390 VanDerWaalsContact CA-O 3.31Å; R256-C390 WeakPolarHBondContact CA-O 3.42Å; R256-M395 HydrophobicContact CG-SD 3.84Å; R256-C415 WeakPolarHBondContact CD-O 3.41Å; R256-C415 PolarHBondContact NH1-O 2.91Å; R256-L417 HydrophobicContact CB-CD2 4.13Å; R256-T444 PolarHBondContact NH1-OG1 2.93Å; R256-T444 PolarHBondContact NH2-OG1 3.12Å
257H98.8Very high95.2Very high4 Ų432.1 Ų32.12%0.01917%0.171CC..PPolyproline II helixtrans-48.9155.1159.359.881.7000111.5N263 R306 T307 C390 H391 L417H257-N263 PolarHBondContact CE1-OD1 3.38Å; H257-N263 VanDerWaalsContact CE1-OD1 3.31Å; H257-R306 HydrophobicContact CB-CB 3.94Å; H257-R306 HydrophobicContact CB-CG 3.91Å; H257-R306 PolarHBondContact CD2-NE 3.26Å; H257-R306 WeakPolarHBondContact NE2-CD 3.27Å; H257-R306 PolarHBondContact NE2-NE 2.89Å; H257-T307 HydrophobicContact CB-CG2 3.89Å; H257-C390 PolarHBondContact CD2-O 2.68Å; H257-C390 PolarHBondContact N-O 2.7Å; H257-H391 AromaticContact CD2-CE1 3.87Å; H257-H391 AromaticContact CD2-ND1 3.22Å; H257-H391 PolarHBondContact CD2-ND1 3.22Å; H257-H391 AromaticContact NE2-ND1 3.53Å; H257-L417 WeakPolarHBondContact O-CD2 3.46Å
258G98.7Very high96Very high0 Ų029.9 Ų29.90%016%0.156CC..SBendtrans-57.6156166.800000111.8S260 L274 T310G258-S260 PolarHBondContact O-N 3.48Å; G258-L274 WeakPolarHBondContact O-CD2 3.41Å; G258-T310 PolarHBondContact N-OG1 3.41Å; G258-T310 VanDerWaalsContact N-OG1 3.07Å
259E98.7Very high96.7Very high1 Ų127.8 Ų27.81%0.00515%0.146CC..PPolyproline II helixtrans-47.9125179.3179179.1-104.900111.8N263 L264 S275 R277 G278 L417 H418 A441 V442E259-N263 HydrophobicContact CG-CB 4.1Å; E259-L264 HydrophobicContact CG-CD2 4.33Å; E259-L264 HydrophobicContact CG-CG 4.39Å; E259-L264 WeakPolarHBondContact OE2-CD2 3.44Å; E259-S275 WeakPolarHBondContact O-CB 3.37Å; E259-S275 PolarHBondContact O-N 3.32Å; E259-S275 PolarHBondContact O-OG 3.14Å; E259-S275 PolarHBondContact OE2-OG 2.79Å; E259-R277 IonicContact OE1-CZ 2.68Å; E259-R277 IonicContact OE1-NE 3.98Å; E259-R277 IonicContact OE1-NH2 3.24Å; E259-R277 PolarHBondContact OE1-NH2 3.03Å; E259-R277 IonicContact OE2-CZ 2.71Å; E259-R277 VanDerWaalsContact OE2-CZ 3.27Å; E259-R277 IonicContact OE2-NE 3.27Å; E259-R277 PolarHBondContact OE2-NE 3.25Å; E259-R277 IonicContact OE2-NH2 3.48Å; E259-R277 PolarHBondContact OE2-NH2 2.91Å; E259-G278 WeakPolarHBondContact O-CA 3.48Å; E259-L417 HydrophobicContact CB-CD1 4.23Å; E259-L417 HydrophobicContact CG-CD1 4.37Å; E259-H418 PolarHBondContact N-NE2 3.06Å; E259-A441 HydrophobicContact CB-CB 4.36Å; E259-A441 VanDerWaalsContact OE1-CA 3.28Å; E259-A441 WeakPolarHBondContact OE1-CA 3.34Å; E259-V442 WeakPolarHBondContact OE1-CG2 3.34Å; E259-V442 PolarHBondContact OE1-N 2.74Å
260S98.5Very high97.3Very high2 Ų222.6 Ų22.61%0.01411%0.114CC..BIsolated β-bridgetrans-96.5165.7-179.877.30000112.8G258 L262 N263 L264 G273G258-S260 PolarHBondContact O-N 3.48Å; S260-L262 VanDerWaalsContact C-N 3.26Å; S260-L262 PolarHBondContact O-N 3.24Å; S260-N263 PolarHBondContact N-OD1 2.66Å; S260-N263 WeakPolarHBondContact O-CB 3.49Å; S260-N263 PolarHBondContact O-N 3.16Å; S260-N263 VanDerWaalsContact OG-CG 3.27Å; S260-N263 PolarHBondContact OG-N 3.22Å; S260-N263 PolarHBondContact OG-OD1 3.4Å; S260-L264 PolarHBondContact O-N 2.99Å; S260-G273 WeakPolarHBondContact CA-O 3.49Å; S260-G273 WeakPolarHBondContact CB-O 3.49Å
261E97.9Very high97.6Very high73 Ų7326.2 Ų26.234%0.34113%0.134SC..Hα-helixtrans-58.7-34.2175.5-63.9-62.8157.100113.3K265 P272 G273 S275E261-K265 WeakPolarHBondContact O-CG 3.29Å; E261-K265 PolarHBondContact O-N 2.7Å; E261-P272 HydrophobicContact CB-CB 4.13Å; E261-G273 PolarHBondContact N-O 3.1Å; E261-G273 VanDerWaalsContact N-O 3.15Å; E261-S275 WeakPolarHBondContact OE1-CA 3.3Å
262L97.4Very high97.7Very high21 Ų2126.1 Ų26.111%0.1113%0.134CC..Hα-helixtrans-76.4-25.9175.7-66.6-176.4000112.6S260 K265 G266 R267 G269 P272 E334S260-L262 VanDerWaalsContact C-N 3.26Å; S260-L262 PolarHBondContact O-N 3.24Å; L262-K265 CarbonylContact O-C 3.53Å; L262-K265 PolarHBondContact O-N 3.46Å; L262-G266 PolarHBondContact O-N 2.66Å; L262-G266 VanDerWaalsContact O-N 3.08Å; L262-R267 HydrophobicContact CB-CB 4.01Å; L262-R267 HydrophobicContact CD1-CB 4.48Å; L262-R267 HydrophobicContact CD2-CB 3.9Å; L262-R267 HydrophobicContact CD2-CG 4.47Å; L262-R267 HydrophobicContact CG-CB 4.33Å; L262-R267 PolarHBondContact O-N 3.11Å; L262-G269 WeakPolarHBondContact CD1-O 3.32Å; L262-P272 HydrophobicContact CB-CB 4.42Å; L262-P272 HydrophobicContact CB-CG 3.88Å; L262-P272 HydrophobicContact CD1-CB 4.38Å; L262-P272 HydrophobicContact CD1-CG 3.84Å; L262-P272 HydrophobicContact CG-CB 3.88Å; L262-P272 HydrophobicContact CG-CG 3.65Å; L262-E334 HydrophobicContact CD1-CG 4.41Å
263N97.3Very high97.7Very high20 Ų2026.8 Ų26.811%0.10714%0.14CC..Hα-helixtrans-63.6-44.6173.1-61.2149.2000110.9H257 E259 S260 K265 G266 L417 V442 T444H257-N263 PolarHBondContact CE1-OD1 3.38Å; H257-N263 VanDerWaalsContact CE1-OD1 3.31Å; E259-N263 HydrophobicContact CG-CB 4.1Å; S260-N263 PolarHBondContact N-OD1 2.66Å; S260-N263 WeakPolarHBondContact O-CB 3.49Å; S260-N263 PolarHBondContact O-N 3.16Å; S260-N263 VanDerWaalsContact OG-CG 3.27Å; S260-N263 PolarHBondContact OG-N 3.22Å; S260-N263 PolarHBondContact OG-OD1 3.4Å; N263-K265 PolarHBondContact O-N 3.47Å; N263-G266 PolarHBondContact O-N 3.28Å; N263-L417 HydrophobicContact CB-CD1 4.43Å; N263-V442 HydrophobicContact CB-CG2 3.82Å; N263-V442 WeakPolarHBondContact O-CG2 3.4Å; N263-T444 HydrophobicContact CB-CG2 4.45Å
264L96.8Very high97.8Very high49 Ų4926.7 Ų26.726%0.25714%0.14SC..Hα-helixtrans-56.1-37.4174.6-68.5177.1000112.1E259 S260 G266 V442E259-L264 HydrophobicContact CG-CD2 4.33Å; E259-L264 HydrophobicContact CG-CG 4.39Å; E259-L264 WeakPolarHBondContact OE2-CD2 3.44Å; S260-L264 PolarHBondContact O-N 2.99Å; L264-G266 VanDerWaalsContact C-N 3.34Å; L264-V442 HydrophobicContact CD2-CG1 4.09Å
265K96.1Very high97.7Very high123 Ų12326.7 Ų26.754%0.53514%0.14SC..THydrogen-bonded Turntrans-860.9-179.4-62.6177.3-175.6-179.70114.3E261 L262 N263 R267E261-K265 WeakPolarHBondContact O-CG 3.29Å; E261-K265 PolarHBondContact O-N 2.7Å; L262-K265 CarbonylContact O-C 3.53Å; L262-K265 PolarHBondContact O-N 3.46Å; N263-K265 PolarHBondContact O-N 3.47Å; K265-R267 HydrophobicContact CB-CG 4.21Å; K265-R267 PolarHBondContact O-N 3.47Å
266G95.8Very high97.7Very high11 Ų1131.2 Ų31.211%0.11317%0.169CC..THydrogen-bonded Turntrans69.613.8-176.900000115.7L262 N263 L264 T336 H468L262-G266 PolarHBondContact O-N 2.66Å; L262-G266 VanDerWaalsContact O-N 3.08Å; N263-G266 PolarHBondContact O-N 3.28Å; L264-G266 VanDerWaalsContact C-N 3.34Å; G266-T336 WeakPolarHBondContact O-CA 3.47Å; G266-H468 WeakPolarHBondContact CA-CE1 3.4Å; G266-H468 WeakPolarHBondContact CA-ND1 3.38Å
267R97.4Very high97.7Very high77 Ų7734 Ų3429%0.29118%0.18SC..BIsolated β-bridgetrans-91.9137.6-174.4-70.4177.1179.2-75.9-10.6111.3L262 K265 E334 M335 T336 E339L262-R267 HydrophobicContact CB-CB 4.01Å; L262-R267 HydrophobicContact CD1-CB 4.48Å; L262-R267 HydrophobicContact CD2-CB 3.9Å; L262-R267 HydrophobicContact CD2-CG 4.47Å; L262-R267 HydrophobicContact CG-CB 4.33Å; L262-R267 PolarHBondContact O-N 3.11Å; K265-R267 HydrophobicContact CB-CG 4.21Å; K265-R267 PolarHBondContact O-N 3.47Å; R267-E334 WeakPolarHBondContact CD-O 3.26Å; R267-E334 WeakPolarHBondContact CG-O 3.39Å; R267-E334 PolarHBondContact NH1-O 3.25Å; R267-M335 CarbonylContact C-O 3.54Å; R267-M335 WeakPolarHBondContact CA-O 3.37Å; R267-T336 HydrophobicContact CG-CG2 3.64Å; R267-E339 IonicContact CZ-OE1 3.27Å; R267-E339 IonicContact CZ-OE2 3.54Å; R267-E339 IonicContact NH1-OE1 2.73Å; R267-E339 PolarHBondContact NH1-OE1 3.03Å; R267-E339 IonicContact NH1-OE2 3.45Å; R267-E339 PolarHBondContact NH1-OE2 3.32Å; R267-E339 IonicContact NH2-OE1 3.42Å; R267-E339 PolarHBondContact NH2-OE1 3.28Å; R267-E339 IonicContact NH2-OE2 3.78Å
268I96.9Very high97.7Very high26 Ų2633.8 Ų33.813%0.13318%0.179CC..  trans-88.7159.6176.569.6172.9000111.2A329 C332 E334 M335 Y337 I340 Y360I268-A329 HydrophobicContact CD1-CB 3.63Å; I268-A329 HydrophobicContact CG1-CB 4.25Å; I268-C332 HydrophobicContact CD1-CB 4.41Å; I268-C332 WeakPolarHBondContact CG1-O 3.2Å; I268-E334 WeakPolarHBondContact O-CA 3.4Å; I268-E334 PolarHBondContact O-N 2.95Å; I268-M335 PolarHBondContact N-O 2.68Å; I268-Y337 HydrophobicContact CG2-CE1 4.37Å; I268-Y337 HydrophobicContact CG2-CE2 3.95Å; I268-I340 HydrophobicContact CD1-CD1 3.55Å; I268-I340 HydrophobicContact CG1-CD1 4.26Å; I268-Y360 HydrophobicContact CD1-CE1 4.42Å
269G96.2Very high97.7Very high15 Ų1540.6 Ų40.616%0.15521%0.205CC..SBendtrans70.9-150174.400000114.7L262 E333L262-G269 WeakPolarHBondContact CD1-O 3.32Å; G269-E333 WeakPolarHBondContact CA-OE1 2.9Å; G269-E333 WeakPolarHBondContact CA-OE2 3.49Å
270G96.9Very high97.7Very high9 Ų945.5 Ų45.59%0.09323%0.228CC..SBendtrans66.9-176.6178.400000114.6R306 E333G270-R306 PolarHBondContact O-NH1 3.36Å; G270-E333 PolarHBondContact N-OE2 3.08Å
271D98.2Very high97.7Very high87 Ų8745.4 Ų45.447%0.46523%0.227SC..  trans-126.755.3174-163.627.9000114.4M304 K305 R306D271-M304 VanDerWaalsContact OD1-CA 3.31Å; D271-M304 WeakPolarHBondContact OD1-CA 3.47Å; D271-M304 WeakPolarHBondContact OD1-CB 3.24Å; D271-K305 WeakPolarHBondContact OD1-CB 3.39Å; D271-K305 PolarHBondContact OD1-N 3.08Å; D271-R306 IonicContact OD1-NH1 3.69Å
272P97.7Very high97.8Very high19 Ų1942.1 Ų42.112%0.12321%0.212CC..  trans-68.8156.8177.231.9-39.1000112.3E261 L262E261-P272 HydrophobicContact CB-CB 4.13Å; L262-P272 HydrophobicContact CB-CB 4.42Å; L262-P272 HydrophobicContact CB-CG 3.88Å; L262-P272 HydrophobicContact CD1-CB 4.38Å; L262-P272 HydrophobicContact CD1-CG 3.84Å; L262-P272 HydrophobicContact CG-CB 3.88Å; L262-P272 HydrophobicContact CG-CG 3.65Å
273G98.3Very high97.8Very high14 Ų1448.4 Ų48.414%0.14424%0.238CC..  trans-77.8177.4164.900000113.2S260 E261 Q309S260-G273 WeakPolarHBondContact CA-O 3.49Å; S260-G273 WeakPolarHBondContact CB-O 3.49Å; E261-G273 PolarHBondContact N-O 3.1Å; E261-G273 VanDerWaalsContact N-O 3.15Å; G273-Q309 VanDerWaalsContact CA-OE1 3.24Å
274L98.8Very high97.9Very high4 Ų449.1 Ų49.12%0.02125%0.245CC..BIsolated β-bridgetrans-70.9136.2174-62.4-179.2000112.3G258 R279 A282 R306 Q309G258-L274 WeakPolarHBondContact O-CD2 3.41Å; L274-R279 HydrophobicContact CB-CG 3.87Å; L274-R279 HydrophobicContact CD1-CG 4.29Å; L274-R279 PolarHBondContact O-NE 3.13Å; L274-R279 PolarHBondContact O-NH2 2.91Å; L274-A282 HydrophobicContact CD1-CB 4.35Å; L274-R306 HydrophobicContact CD2-CB 4.08Å; L274-Q309 HydrophobicContact CD1-CB 3.64Å; L274-Q309 HydrophobicContact CG-CB 3.86Å
275S98.5Very high98Very high0 Ų046.8 Ų46.80%023%0.233CC..  trans-65.2170.6164.472.50000111.5E259 E261 R277 G278 R279E259-S275 WeakPolarHBondContact O-CB 3.37Å; E259-S275 PolarHBondContact O-N 3.32Å; E259-S275 PolarHBondContact O-OG 3.14Å; E259-S275 PolarHBondContact OE2-OG 2.79Å; E261-S275 WeakPolarHBondContact OE1-CA 3.3Å; S275-R277 VanDerWaalsContact C-N 3.32Å; S275-R277 PolarHBondContact O-N 3.31Å; S275-G278 PolarHBondContact O-N 3.12Å; S275-G278 VanDerWaalsContact O-N 3.13Å; S275-G278 PolarHBondContact OG-N 3.16Å; S275-R279 WeakPolarHBondContact O-CG 3.45Å; S275-R279 PolarHBondContact O-N 3.31Å
276P98.5Very high98.1Very high94 Ų9442 Ų4261%0.6122%0.216SC*.Hα-helixtrans-53.8-45.3172.8-27.736.5000113.4G278 R279 E280P276-G278 VanDerWaalsContact C-N 3.35Å; P276-R279 PolarHBondContact O-N 3Å; P276-E280 PolarHBondContact O-N 2.87Å; P276-E280 VanDerWaalsContact O-N 3.11Å
277R98.5Very high98.2Very high64 Ų6446.7 Ų46.724%0.24224%0.235CC..Hα-helixtrans-67.8-34.6176.7-62.4-169.2-62.1-165.6-3.6112E259 S275 R279 E280 F281 V439 A440E259-R277 IonicContact OE1-CZ 2.68Å; E259-R277 IonicContact OE1-NE 3.98Å; E259-R277 IonicContact OE1-NH2 3.24Å; E259-R277 PolarHBondContact OE1-NH2 3.03Å; E259-R277 IonicContact OE2-CZ 2.71Å; E259-R277 VanDerWaalsContact OE2-CZ 3.27Å; E259-R277 IonicContact OE2-NE 3.27Å; E259-R277 PolarHBondContact OE2-NE 3.25Å; E259-R277 IonicContact OE2-NH2 3.48Å; E259-R277 PolarHBondContact OE2-NH2 2.91Å; S275-R277 VanDerWaalsContact C-N 3.32Å; S275-R277 PolarHBondContact O-N 3.31Å; R277-R279 VanDerWaalsContact C-N 3.31Å; R277-R279 PolarHBondContact O-N 2.88Å; R277-E280 WeakPolarHBondContact O-CB 3.47Å; R277-E280 PolarHBondContact O-N 3.25Å; R277-F281 PolarHBondContact O-N 3.39Å; R277-V439 HydrophobicContact CB-CG1 4.24Å; R277-V439 WeakPolarHBondContact O-CG1 3.46Å; R277-A440 VanDerWaalsContact CD-O 3.31Å; R277-A440 WeakPolarHBondContact CD-O 3.48Å; R277-A440 PolarHBondContact NE-O 2.75Å
278G98.7Very high98.2Very high0 Ų044.2 Ų44.20%023%0.227CC..Hα-helixtrans-61.5-37.5173.700000113.1E259 S275 P276 A282E259-G278 WeakPolarHBondContact O-CA 3.48Å; S275-G278 PolarHBondContact O-N 3.12Å; S275-G278 VanDerWaalsContact O-N 3.13Å; S275-G278 PolarHBondContact OG-N 3.16Å; P276-G278 VanDerWaalsContact C-N 3.35Å; G278-A282 PolarHBondContact O-N 3.22Å
279R98.8Very high98.2Very high144 Ų14443.8 Ų43.854%0.54323%0.225SC..Hα-helixtrans-71.6-34.8174.7-62.9176.2-153.8174.66.7112.4L274 S275 P276 R277 A282 K283L274-R279 HydrophobicContact CB-CG 3.87Å; L274-R279 HydrophobicContact CD1-CG 4.29Å; L274-R279 PolarHBondContact O-NE 3.13Å; L274-R279 PolarHBondContact O-NH2 2.91Å; S275-R279 WeakPolarHBondContact O-CG 3.45Å; S275-R279 PolarHBondContact O-N 3.31Å; P276-R279 PolarHBondContact O-N 3Å; R277-R279 VanDerWaalsContact C-N 3.31Å; R277-R279 PolarHBondContact O-N 2.88Å; R279-A282 PolarHBondContact O-N 3.17Å; R279-K283 PolarHBondContact O-N 2.91Å
280E98.6Very high98.1Very high104 Ų10447.2 Ų47.249%0.48625%0.246SC..Hα-helixtrans-63.1-46.8172.3-171.7-179.2-174.700110.9P276 R277 A282 K283 S284 V439P276-E280 PolarHBondContact O-N 2.87Å; P276-E280 VanDerWaalsContact O-N 3.11Å; R277-E280 WeakPolarHBondContact O-CB 3.47Å; R277-E280 PolarHBondContact O-N 3.25Å; E280-A282 VanDerWaalsContact C-N 3.31Å; E280-A282 PolarHBondContact O-N 3.09Å; E280-K283 WeakPolarHBondContact O-CB 3.46Å; E280-K283 PolarHBondContact O-N 2.87Å; E280-K283 VanDerWaalsContact O-N 3.13Å; E280-S284 PolarHBondContact O-N 2.94Å; E280-S284 PolarHBondContact O-OG 3.45Å; E280-V439 HydrophobicContact CB-CG1 4Å; E280-V439 HydrophobicContact CB-CG2 4.46Å; E280-V439 HydrophobicContact CG-CG1 4.07Å; E280-V439 HydrophobicContact CG-CG2 3.88Å
281F98.8Very high98.1Very high0 Ų051.7 Ų51.70%027%0.268CS..Hα-helixtrans-56.9-43173.1166.1-103.5000112.5C255 R277 K283 S284 L285 T310 H418 L437 V439C255-F281 HydrophobicContact CB-CZ 4.4Å; R277-F281 PolarHBondContact O-N 3.39Å; F281-K283 VanDerWaalsContact C-N 3.26Å; F281-K283 PolarHBondContact O-N 2.99Å; F281-S284 CarbonylContact O-C 3.59Å; F281-S284 PolarHBondContact O-N 3.49Å; F281-S284 VanDerWaalsContact O-N 3.15Å; F281-L285 HydrophobicContact CE1-CD2 4.22Å; F281-L285 HydrophobicContact CE2-CB 4.41Å; F281-L285 HydrophobicContact CZ-CB 4.29Å; F281-L285 HydrophobicContact CZ-CD1 4.39Å; F281-L285 HydrophobicContact CZ-CD2 4.16Å; F281-L285 WeakPolarHBondContact O-CB 3.06Å; F281-L285 PolarHBondContact O-N 2.95Å; F281-T310 HydrophobicContact CD1-CG2 4.18Å; F281-T310 HydrophobicContact CE1-CG2 3.83Å; F281-H418 HydrophobicContact CB-CB 4.43Å; F281-H418 WeakPolarHBondContact CB-CD2 3.36Å; F281-H418 WeakPolarHBondContact CB-NE2 3.4Å; F281-H418 AromaticContact CD1-CD2 3.79Å; F281-H418 VanDerWaalsContact CD2-CA 3.41Å; F281-H418 HydrophobicContact CD2-CB 3.61Å; F281-H418 AromaticContact CD2-CD2 3.75Å; F281-H418 AromaticContact CD2-CG 3.76Å; F281-H418 HydrophobicContact CE2-CB 4.13Å; F281-H418 HydrophobicContact CG-CB 4.13Å; F281-H418 AromaticContact CG-CD2 3.32Å; F281-H418 WeakPolarHBondContact CG-CD2 3.43Å; F281-H418 AromaticContact CG-CG 3.74Å; F281-H418 AromaticContact CG-NE2 3.91Å; F281-L437 HydrophobicContact CD2-CB 4.3Å; F281-L437 HydrophobicContact CD2-CD1 4.06Å; F281-L437 HydrophobicContact CE2-CB 4.4Å; F281-L437 HydrophobicContact CE2-CD1 3.6Å; F281-L437 HydrophobicContact CE2-CG 4.12Å; F281-V439 HydrophobicContact CB-CB 4.33Å; F281-V439 HydrophobicContact CB-CG1 4.31Å; F281-V439 HydrophobicContact CB-CG2 4.49Å
282A98.8Very high97.9Very high3 Ų351.1 Ų51.13%0.02526%0.262CS..Hα-helixtrans-59.1-38.7178.700000112.1L274 G278 R279 E280 A286 T310 A313L274-A282 HydrophobicContact CD1-CB 4.35Å; G278-A282 PolarHBondContact O-N 3.22Å; R279-A282 PolarHBondContact O-N 3.17Å; E280-A282 VanDerWaalsContact C-N 3.31Å; E280-A282 PolarHBondContact O-N 3.09Å; A282-A286 PolarHBondContact O-N 3.42Å; A282-T310 HydrophobicContact CB-CG2 4.17Å; A282-A313 HydrophobicContact CB-CB 3.6Å
283K98.6Very high97.7Very high153 Ų15357.3 Ų57.367%0.66530%0.295SS*.Hα-helixtrans-67.9-44.5173.3-65.8175.7-178.5-178.40112.1R279 E280 F281 L285 A286 Q287R279-K283 PolarHBondContact O-N 2.91Å; E280-K283 WeakPolarHBondContact O-CB 3.46Å; E280-K283 PolarHBondContact O-N 2.87Å; E280-K283 VanDerWaalsContact O-N 3.13Å; F281-K283 VanDerWaalsContact C-N 3.26Å; F281-K283 PolarHBondContact O-N 2.99Å; K283-L285 VanDerWaalsContact C-N 3.27Å; K283-L285 PolarHBondContact O-N 2.96Å; K283-A286 WeakPolarHBondContact O-CB 3.25Å; K283-A286 PolarHBondContact O-N 3.37Å; K283-Q287 PolarHBondContact O-N 3.36Å
284S98.5Very high97.5Very high36 Ų3658.3 Ų58.325%0.25230%0.296SS..Hα-helixtrans-63.2-35.2176.6-59.30000112.1E280 F281 Q287 F288E280-S284 PolarHBondContact O-N 2.94Å; E280-S284 PolarHBondContact O-OG 3.45Å; F281-S284 CarbonylContact O-C 3.59Å; F281-S284 PolarHBondContact O-N 3.49Å; F281-S284 VanDerWaalsContact O-N 3.15Å; S284-Q287 PolarHBondContact O-N 3.14Å; S284-F288 WeakPolarHBondContact O-CB 3.35Å; S284-F288 PolarHBondContact O-N 2.81Å
285L98.7Very high97.1Very high0 Ų065.6 Ų65.60%033%0.328CS..Hα-helixtrans-65.8-43.1174-176.866.9000111.1F281 K283 F288 I289 T310 L314 I389 V420 L437F281-L285 HydrophobicContact CE1-CD2 4.22Å; F281-L285 HydrophobicContact CE2-CB 4.41Å; F281-L285 HydrophobicContact CZ-CB 4.29Å; F281-L285 HydrophobicContact CZ-CD1 4.39Å; F281-L285 HydrophobicContact CZ-CD2 4.16Å; F281-L285 WeakPolarHBondContact O-CB 3.06Å; F281-L285 PolarHBondContact O-N 2.95Å; K283-L285 VanDerWaalsContact C-N 3.27Å; K283-L285 PolarHBondContact O-N 2.96Å; L285-F288 HydrophobicContact CD1-CD1 4.49Å; L285-F288 PolarHBondContact O-N 2.94Å; L285-I289 HydrophobicContact CD1-CG1 4.18Å; L285-I289 HydrophobicContact CG-CG1 4.37Å; L285-I289 WeakPolarHBondContact O-CB 3.35Å; L285-I289 VanDerWaalsContact O-CG1 3.28Å; L285-I289 WeakPolarHBondContact O-CG1 3.1Å; L285-I289 PolarHBondContact O-N 3.36Å; L285-T310 HydrophobicContact CD2-CG2 3.82Å; L285-L314 HydrophobicContact CB-CD2 4.47Å; L285-L314 HydrophobicContact CD2-CD2 4.23Å; L285-L314 HydrophobicContact CG-CD2 3.99Å; L285-I389 HydrophobicContact CD2-CD1 4.04Å; L285-I389 HydrophobicContact CD2-CG1 4.5Å; L285-V420 HydrophobicContact CD1-CG2 3.57Å; L285-L437 HydrophobicContact CB-CD1 3.93Å; L285-L437 HydrophobicContact CD1-CD1 3.93Å
286A98.2Very high96.9Very high22 Ų2271.1 Ų71.118%0.18236%0.357CS..Hα-helixtrans-58.9-46.9175.100000111.9A282 K283 I289 S290 A313 L314A282-A286 PolarHBondContact O-N 3.42Å; K283-A286 WeakPolarHBondContact O-CB 3.25Å; K283-A286 PolarHBondContact O-N 3.37Å; A286-I289 PolarHBondContact O-N 2.92Å; A286-S290 WeakPolarHBondContact O-CB 3.19Å; A286-S290 PolarHBondContact O-N 3.11Å; A286-A313 VanDerWaalsContact CB-O 3.25Å; A286-A313 WeakPolarHBondContact CB-O 3.24Å; A286-L314 VanDerWaalsContact CA-CD2 3.46Å; A286-L314 HydrophobicContact CB-CD2 3.91Å
287Q97.8Very high96.7Very high110 Ų11068.4 Ų68.451%0.51434%0.337SS..Hα-helixtrans-60.9-50.3175.7-172.861.854.500111.3K283 S284 I289 S290 D291K283-Q287 PolarHBondContact O-N 3.36Å; S284-Q287 PolarHBondContact O-N 3.14Å; Q287-I289 VanDerWaalsContact C-N 3.34Å; Q287-I289 PolarHBondContact O-N 2.91Å; Q287-S290 WeakPolarHBondContact O-CB 3.36Å; Q287-S290 PolarHBondContact O-N 3.32Å; Q287-D291 PolarHBondContact NE2-OD1 3.34Å; Q287-D291 PolarHBondContact NE2-OD2 3.46Å; Q287-D291 PolarHBondContact O-N 3.47Å
288F97.9Very high96.7Very high25 Ų2568.7 Ų68.711%0.1134%0.34CS..Hα-helixtrans-55.1-48.3179170.7-99000112.1Y253 S284 L285 D291 Q292 V420 I435 L437Y253-F288 HydrophobicContact CD1-CE1 4.26Å; Y253-F288 HydrophobicContact CE1-CE1 4.3Å; Y253-F288 HydrophobicContact CE1-CZ 4.44Å; S284-F288 WeakPolarHBondContact O-CB 3.35Å; S284-F288 PolarHBondContact O-N 2.81Å; L285-F288 HydrophobicContact CD1-CD1 4.49Å; L285-F288 PolarHBondContact O-N 2.94Å; F288-D291 PolarHBondContact O-N 2.62Å; F288-Q292 HydrophobicContact CE1-CG 4.1Å; F288-Q292 HydrophobicContact CE2-CG 4.27Å; F288-Q292 HydrophobicContact CZ-CG 3.94Å; F288-Q292 WeakPolarHBondContact O-CG 3.44Å; F288-Q292 PolarHBondContact O-N 2.84Å; F288-V420 HydrophobicContact CD1-CG2 4.3Å; F288-V420 HydrophobicContact CE1-CB 4.33Å; F288-V420 HydrophobicContact CE1-CG1 4Å; F288-V420 HydrophobicContact CE1-CG2 4.27Å; F288-I435 HydrophobicContact CD2-CG2 4.35Å; F288-I435 HydrophobicContact CE2-CB 4.42Å; F288-I435 HydrophobicContact CE2-CG1 4.42Å; F288-I435 HydrophobicContact CE2-CG2 3.9Å; F288-I435 HydrophobicContact CZ-CD1 4.41Å; F288-I435 HydrophobicContact CZ-CG1 4.44Å; F288-L437 HydrophobicContact CB-CD1 4.23Å; F288-L437 HydrophobicContact CB-CD2 4.01Å; F288-L437 HydrophobicContact CD2-CD2 3.98Å; F288-L437 HydrophobicContact CG-CD2 3.9Å
289I96.6Very high96.7Very high17 Ų1768.9 Ų68.99%0.08734%0.341CS..Hα-helixtrans-65.9-40.4-179.1-68.5-64.1000111.4L285 A286 Q287 D291 Q292 L297 L387L285-I289 HydrophobicContact CD1-CG1 4.18Å; L285-I289 HydrophobicContact CG-CG1 4.37Å; L285-I289 WeakPolarHBondContact O-CB 3.35Å; L285-I289 VanDerWaalsContact O-CG1 3.28Å; L285-I289 WeakPolarHBondContact O-CG1 3.1Å; L285-I289 PolarHBondContact O-N 3.36Å; A286-I289 PolarHBondContact O-N 2.92Å; Q287-I289 VanDerWaalsContact C-N 3.34Å; Q287-I289 PolarHBondContact O-N 2.91Å; I289-D291 VanDerWaalsContact C-N 3.33Å; I289-D291 PolarHBondContact O-N 3.4Å; I289-Q292 PolarHBondContact O-N 2.86Å; I289-L297 HydrophobicContact CD1-CD2 4.45Å; I289-L297 HydrophobicContact CG2-CD2 3.33Å; I289-L387 HydrophobicContact CD1-CD2 3.99Å; I289-L387 HydrophobicContact CG1-CD2 4.03Å
290S95.5Very high96.7Very high86 Ų8662.1 Ų62.160%0.60132%0.316SS*.Hα-helixtrans-59.1-44.3173.6-174.60000111.6A286 Q287 Q292 N293A286-S290 WeakPolarHBondContact O-CB 3.19Å; A286-S290 PolarHBondContact O-N 3.11Å; Q287-S290 WeakPolarHBondContact O-CB 3.36Å; Q287-S290 PolarHBondContact O-N 3.32Å; S290-Q292 VanDerWaalsContact C-N 3.27Å; S290-Q292 PolarHBondContact O-N 2.91Å; S290-N293 PolarHBondContact O-N 3.2Å; S290-N293 VanDerWaalsContact O-N 3.11Å
291D96.4Very high96.7Very high104 Ų10457.1 Ų57.156%0.55629%0.293SS*.Hα-helixtrans-67.4-25.4-178.3-65.4-19.1000113.2Q287 F288 I289 N293Q287-D291 PolarHBondContact NE2-OD1 3.34Å; Q287-D291 PolarHBondContact NE2-OD2 3.46Å; Q287-D291 PolarHBondContact O-N 3.47Å; F288-D291 PolarHBondContact O-N 2.62Å; I289-D291 VanDerWaalsContact C-N 3.33Å; I289-D291 PolarHBondContact O-N 3.4Å; D291-N293 PolarHBondContact O-N 3.05Å
292Q94.1Very high96.7Very high75 Ų7557.1 Ų57.135%0.3529%0.293SS..THydrogen-bonded Turntrans-71.5-15.3174.8-64.7-53.7-75.800113.2F288 I289 S290 I294F288-Q292 HydrophobicContact CE1-CG 4.1Å; F288-Q292 HydrophobicContact CE2-CG 4.27Å; F288-Q292 HydrophobicContact CZ-CG 3.94Å; F288-Q292 WeakPolarHBondContact O-CG 3.44Å; F288-Q292 PolarHBondContact O-N 2.84Å; I289-Q292 PolarHBondContact O-N 2.86Å; S290-Q292 VanDerWaalsContact C-N 3.27Å; S290-Q292 PolarHBondContact O-N 2.91Å; Q292-I294 VanDerWaalsContact C-N 3.29Å; Q292-I294 HydrophobicContact CB-CD1 3.56Å; Q292-I294 HydrophobicContact CB-CG1 3.48Å; Q292-I294 VanDerWaalsContact CB-CG1 3.48Å; Q292-I294 HydrophobicContact CG-CD1 4.19Å; Q292-I294 PolarHBondContact O-N 3.25Å
293N93.3Very high96.7Very high149 Ų14961.3 Ų61.380%0.79731%0.312SS*.THydrogen-bonded Turntrans47.248.3-179.5-16527.8000113.4S290 D291 K295S290-N293 PolarHBondContact O-N 3.2Å; S290-N293 VanDerWaalsContact O-N 3.11Å; D291-N293 PolarHBondContact O-N 3.05Å; N293-K295 PolarHBondContact O-N 3.03Å
294I93.1Very high96.7Very high34 Ų3455.4 Ų55.417%0.17429%0.287CS..  trans-80.9120.5-171.7-56.6158.1000109.9Y253 Q292 L297 N385Y253-I294 HydrophobicContact CD2-CD1 4.27Å; Y253-I294 HydrophobicContact CE1-CD1 4.44Å; Y253-I294 HydrophobicContact CE2-CD1 3.44Å; Y253-I294 VanDerWaalsContact CE2-CD1 3.44Å; Y253-I294 HydrophobicContact CE2-CG1 4.4Å; Y253-I294 WeakPolarHBondContact OH-CD1 3.27Å; Q292-I294 VanDerWaalsContact C-N 3.29Å; Q292-I294 HydrophobicContact CB-CD1 3.56Å; Q292-I294 HydrophobicContact CB-CG1 3.48Å; Q292-I294 VanDerWaalsContact CB-CG1 3.48Å; Q292-I294 HydrophobicContact CG-CD1 4.19Å; Q292-I294 PolarHBondContact O-N 3.25Å; I294-L297 HydrophobicContact CB-CB 4.25Å; I294-L297 HydrophobicContact CD1-CD1 4.36Å; I294-L297 HydrophobicContact CD1-CD2 4.26Å; I294-L297 HydrophobicContact CG2-CB 3.99Å; I294-L297 HydrophobicContact CG2-CD1 4.23Å; I294-N385 HydrophobicContact CG2-CB 3.51Å
295K91.8Very high96.7Very high158 Ų15858.6 Ų58.669%0.68730%0.296SS*.THydrogen-bonded Turntrans-69.3136.6173.5-163.2-166.8173.6-1650111N293 L297 N385N293-K295 PolarHBondContact O-N 3.03Å; K295-L297 VanDerWaalsContact C-N 3.26Å; K295-L297 PolarHBondContact O-N 3.26Å; K295-N385 PolarHBondContact O-ND2 2.95Å
296D92.7Very high96.7Very high115 Ų11559 Ų5962%0.61530%0.297SS*.THydrogen-bonded Turntrans5436.4172.6-55.7-42.5000114.1K298D296-K298 PolarHBondContact O-N 3.38Å
297L96.3Very high96.8Very high37 Ų3757.9 Ų57.919%0.19429%0.289CS..  trans-64122.7179.1179.566.4000111.3I289 I294 K295 V299 N385 L387I289-L297 HydrophobicContact CD1-CD2 4.45Å; I289-L297 HydrophobicContact CG2-CD2 3.33Å; I294-L297 HydrophobicContact CB-CB 4.25Å; I294-L297 HydrophobicContact CD1-CD1 4.36Å; I294-L297 HydrophobicContact CD1-CD2 4.26Å; I294-L297 HydrophobicContact CG2-CB 3.99Å; I294-L297 HydrophobicContact CG2-CD1 4.23Å; K295-L297 VanDerWaalsContact C-N 3.26Å; K295-L297 PolarHBondContact O-N 3.26Å; L297-V299 HydrophobicContact CD2-CG2 4.41Å; L297-V299 HydrophobicContact CG-CG2 4.4Å; L297-N385 HydrophobicContact CD1-CB 4.32Å; L297-L387 HydrophobicContact CD1-CB 4.12Å
298K98Very high96.8Very high71 Ų7154.1 Ų54.131%0.30927%0.272SS..EExtended strand (participates in β ladder)trans-93139.2168.1-63.8-173.1176.9-177.70110.9D296 Q383 N385 V386 L387D296-K298 PolarHBondContact O-N 3.38Å; K298-Q383 HydrophobicContact CD-CG 4.34Å; K298-N385 PolarHBondContact N-O 3.46Å; K298-V386 HydrophobicContact CB-CG2 4.45Å; K298-V386 CarbonylContact O-C 3.59Å; K298-V386 WeakPolarHBondContact O-CA 3.39Å; K298-L387 PolarHBondContact O-N 2.76Å
299V98.7Very high96.9Very high3 Ų356.1 Ų56.12%0.01828%0.281CS..EExtended strand (participates in β ladder)trans-116.5125.4177.2-176.60000109.8L297 A311 L314 V316 Y318 E319 L387 I389L297-V299 HydrophobicContact CD2-CG2 4.41Å; L297-V299 HydrophobicContact CG-CG2 4.4Å; V299-A311 HydrophobicContact CG1-CB 4.35Å; V299-L314 HydrophobicContact CG1-CD1 3.9Å; V299-L314 HydrophobicContact CG2-CD1 4.03Å; V299-V316 HydrophobicContact CG2-CG2 3.74Å; V299-Y318 CarbonylContact O-C 3.26Å; V299-Y318 WeakPolarHBondContact O-CA 3.2Å; V299-Y318 WeakPolarHBondContact O-CB 3.37Å; V299-E319 PolarHBondContact O-N 2.78Å; V299-L387 CarbonylContact C-O 3.5Å; V299-L387 WeakPolarHBondContact CA-O 3.08Å; V299-L387 HydrophobicContact CG1-CD2 4.28Å; V299-L387 HydrophobicContact CG2-CB 4.4Å; V299-L387 HydrophobicContact CG2-CD2 4.32Å; V299-I389 HydrophobicContact CG1-CD1 4.16Å
300W98.9Very high97Very high2 Ų255.3 Ų55.31%0.00828%0.277CS..EExtended strand (participates in β ladder)trans-117.5138.9176.9-59.2-19.8000111.3E319 W321 L324 V376 E379 L380 Q383 V386 L387 V388 I389W300-E319 WeakPolarHBondContact CA-O 3.46Å; W300-E319 PolarHBondContact NE1-OE2 3.42Å; W300-W321 AromaticContact CD1-NE1 3.97Å; W300-L324 HydrophobicContact CB-CD1 4.03Å; W300-V376 HydrophobicContact CE3-CG1 4.35Å; W300-V376 HydrophobicContact CZ3-CG1 4.09Å; W300-E379 HydrophobicContact CH2-CB 3.75Å; W300-E379 HydrophobicContact CH2-CG 3.45Å; W300-E379 VanDerWaalsContact CH2-CG 3.45Å; W300-E379 HydrophobicContact CZ2-CB 4.41Å; W300-E379 HydrophobicContact CZ2-CG 3.62Å; W300-E379 HydrophobicContact CZ3-CB 4.42Å; W300-E379 HydrophobicContact CZ3-CG 4.47Å; W300-L380 HydrophobicContact CE3-CD2 4.09Å; W300-L380 HydrophobicContact CH2-CD2 3.84Å; W300-L380 HydrophobicContact CH2-CG 4.17Å; W300-L380 HydrophobicContact CZ3-CD2 3.37Å; W300-L380 HydrophobicContact CZ3-CG 3.62Å; W300-Q383 HydrophobicContact CH2-CG 4.01Å; W300-Q383 HydrophobicContact CZ2-CG 3.76Å; W300-V386 HydrophobicContact CD2-CG1 3.71Å; W300-V386 HydrophobicContact CE3-CG1 3.85Å; W300-V386 HydrophobicContact CG-CG1 4.25Å; W300-V386 HydrophobicContact CH2-CG1 4.2Å; W300-V386 HydrophobicContact CH2-CG2 4.48Å; W300-V386 HydrophobicContact CZ2-CG1 4.12Å; W300-V386 HydrophobicContact CZ2-CG2 4.38Å; W300-V386 HydrophobicContact CZ3-CG1 4.12Å; W300-L387 PolarHBondContact N-O 3Å; W300-V388 HydrophobicContact CE3-CG2 3.91Å; W300-I389 PolarHBondContact O-N 2.95Å
301T98.9Very high97.1Very high0 Ų051.2 Ų51.20%025%0.249CC..EExtended strand (participates in β ladder)trans-127.2163.2176.663.70000110.8A311 Y318 E319 W321 I389T301-A311 HydrophobicContact CG2-CB 3.41Å; T301-A311 VanDerWaalsContact CG2-CB 3.41Å; T301-Y318 HydrophobicContact CG2-CD2 3.93Å; T301-Y318 HydrophobicContact CG2-CG 4.4Å; T301-E319 PolarHBondContact N-O 3.33Å; T301-E319 PolarHBondContact OG1-O 3.43Å; T301-W321 PolarHBondContact O-N 3.06Å; T301-I389 WeakPolarHBondContact CA-O 3.49Å; T301-I389 HydrophobicContact CG2-CB 4.39Å
302S98.8Very high97.2Very high0 Ų051.6 Ų51.60%025%0.247CC..  trans-74.1174159.284.70000111.3M304 T307 L324 N325 H391S302-M304 PolarHBondContact O-N 3.5Å; S302-M304 WeakPolarHBondContact OG-CB 3.38Å; S302-M304 PolarHBondContact OG-N 3.4Å; S302-T307 PolarHBondContact N-OG1 3.13Å; S302-T307 PolarHBondContact O-OG1 2.84Å; S302-T307 VanDerWaalsContact O-OG1 3.12Å; S302-T307 WeakPolarHBondContact OG-CG2 3.49Å; S302-T307 PolarHBondContact OG-OG1 2.98Å; S302-L324 WeakPolarHBondContact CB-O 3.27Å; S302-N325 WeakPolarHBondContact CB-OD1 3.16Å; S302-H391 VanDerWaalsContact CB-NE2 3.34Å; S302-H391 WeakPolarHBondContact CB-NE2 3.5Å; S302-H391 PolarHBondContact OG-NE2 2.87Å
303Q98.8Very high97.4Very high91 Ų9150 Ų5043%0.42525%0.246SC..SBendtrans-80.61.6171.5-70.1-177.2-23.700113.6Q320 K322 N325Q303-Q320 HydrophobicContact CG-CB 4.12Å; Q303-K322 HydrophobicContact CG-CB 4.39Å; Q303-N325 PolarHBondContact N-OD1 2.83Å
304M98.6Very high97.6Very high29 Ų2943.9 Ų43.914%0.14321%0.214CC..SBendtrans-82.4139.2179.9-65.7171.5161.200111.5D271 S302 R306 T307 I308 N325 E326 H391D271-M304 VanDerWaalsContact OD1-CA 3.31Å; D271-M304 WeakPolarHBondContact OD1-CA 3.47Å; D271-M304 WeakPolarHBondContact OD1-CB 3.24Å; S302-M304 PolarHBondContact O-N 3.5Å; S302-M304 WeakPolarHBondContact OG-CB 3.38Å; S302-M304 PolarHBondContact OG-N 3.4Å; M304-R306 VanDerWaalsContact C-N 3.27Å; M304-R306 HydrophobicContact CB-CG 4.47Å; M304-R306 PolarHBondContact O-N 3.24Å; M304-R306 VanDerWaalsContact O-N 3.13Å; M304-R306 PolarHBondContact SD-NH2 3.3Å; M304-T307 PolarHBondContact O-N 3.47Å; M304-T307 PolarHBondContact O-OG1 2.84Å; M304-I308 PolarHBondContact O-N 2.85Å; M304-N325 HydrophobicContact CE-CB 3.9Å; M304-N325 HydrophobicContact SD-CB 4.19Å; M304-E326 HydrophobicContact CE-CB 4.19Å; M304-E326 HydrophobicContact SD-CB 3.98Å; M304-E326 PolarHBondContact SD-N 2.94Å; M304-H391 PolarHBondContact SD-CE1 3.3Å; M304-H391 PolarHBondContact SD-NE2 2.84Å; M304-H391 VanDerWaalsContact SD-NE2 3.42Å
305K98.6Very high97.7Very high103 Ų10345.8 Ų45.845%0.44824%0.242SC..Hα-helixtrans-49.1-44.6-173.8-175.8175.5-177.1174.50113.1D271 T307 I308 Q309D271-K305 WeakPolarHBondContact OD1-CB 3.39Å; D271-K305 PolarHBondContact OD1-N 3.08Å; K305-T307 PolarHBondContact O-N 3.14Å; K305-I308 PolarHBondContact O-N 2.83Å; K305-Q309 HydrophobicContact CG-CG 4.16Å; K305-Q309 WeakPolarHBondContact O-CB 3.49Å; K305-Q309 VanDerWaalsContact O-CG 3.29Å; K305-Q309 WeakPolarHBondContact O-CG 3.47Å; K305-Q309 PolarHBondContact O-N 3.09Å
306R98.7Very high97.9Very high7 Ų741.4 Ų41.43%0.02623%0.228CC..Hα-helixtrans-61.8-37.5-179.458.3-165.8-176.9-93.88.4114.5H257 G270 D271 L274 M304 T310 H391H257-R306 HydrophobicContact CB-CB 3.94Å; H257-R306 HydrophobicContact CB-CG 3.91Å; H257-R306 PolarHBondContact CD2-NE 3.26Å; H257-R306 WeakPolarHBondContact NE2-CD 3.27Å; H257-R306 PolarHBondContact NE2-NE 2.89Å; G270-R306 PolarHBondContact O-NH1 3.36Å; D271-R306 IonicContact OD1-NH1 3.69Å; L274-R306 HydrophobicContact CD2-CB 4.08Å; M304-R306 VanDerWaalsContact C-N 3.27Å; M304-R306 HydrophobicContact CB-CG 4.47Å; M304-R306 PolarHBondContact O-N 3.24Å; M304-R306 VanDerWaalsContact O-N 3.13Å; M304-R306 PolarHBondContact SD-NH2 3.3Å; R306-T310 PolarHBondContact O-N 3.31Å; R306-T310 PolarHBondContact O-OG1 2.89Å; R306-H391 PolarHBondContact NE-CE1 2.95Å; R306-H391 PolarHBondContact NE-ND1 3.16Å; R306-H391 PolarHBondContact NH2-CE1 3.07Å; R306-H391 PolarHBondContact NH2-ND1 2.77Å
307T98.9Very high98.1Very high0 Ų041.7 Ų41.70%024%0.236CC..Hα-helixtrans-74.2-39.7176.154.90000110.8H257 S302 M304 K305 T310 A311 I389H257-T307 HydrophobicContact CB-CG2 3.89Å; S302-T307 PolarHBondContact N-OG1 3.13Å; S302-T307 PolarHBondContact O-OG1 2.84Å; S302-T307 VanDerWaalsContact O-OG1 3.12Å; S302-T307 WeakPolarHBondContact OG-CG2 3.49Å; S302-T307 PolarHBondContact OG-OG1 2.98Å; M304-T307 PolarHBondContact O-N 3.47Å; M304-T307 PolarHBondContact O-OG1 2.84Å; K305-T307 PolarHBondContact O-N 3.14Å; T307-T310 WeakPolarHBondContact O-CB 3.36Å; T307-T310 PolarHBondContact O-N 2.78Å; T307-A311 PolarHBondContact O-N 3.09Å; T307-I389 WeakPolarHBondContact CB-O 3.27Å; T307-I389 HydrophobicContact CG2-CG2 4.25Å; T307-I389 VanDerWaalsContact CG2-O 3.31Å; T307-I389 WeakPolarHBondContact CG2-O 3.45Å
308I98.9Very high98.2Very high30 Ų3042.6 Ų42.615%0.15424%0.237CC..Hα-helixtrans-62.6-50.7178.1-64.4168000110.3M304 K305 T310 A311 E312 Y318 Q320M304-I308 PolarHBondContact O-N 2.85Å; K305-I308 PolarHBondContact O-N 2.83Å; I308-T310 PolarHBondContact O-N 3.04Å; I308-A311 PolarHBondContact O-N 3.32Å; I308-E312 HydrophobicContact CG2-CG 4.3Å; I308-E312 WeakPolarHBondContact O-CG 3.16Å; I308-E312 PolarHBondContact O-N 2.75Å; I308-Y318 HydrophobicContact CG2-CE2 4.25Å; I308-Y318 WeakPolarHBondContact CG2-OH 3.41Å; I308-Q320 HydrophobicContact CD1-CG 4.47Å; I308-Q320 HydrophobicContact CG1-CG 4.4Å
309Q98.8Very high98.2Very high67 Ų6743.8 Ų43.831%0.31324%0.244SC..Hα-helixtrans-59.4-30.6176.9-73.9-176.3-37.400113.2G273 L274 K305G273-Q309 VanDerWaalsContact CA-OE1 3.24Å; L274-Q309 HydrophobicContact CD1-CB 3.64Å; L274-Q309 HydrophobicContact CG-CB 3.86Å; K305-Q309 HydrophobicContact CG-CG 4.16Å; K305-Q309 WeakPolarHBondContact O-CB 3.49Å; K305-Q309 VanDerWaalsContact O-CG 3.29Å; K305-Q309 WeakPolarHBondContact O-CG 3.47Å; K305-Q309 PolarHBondContact O-N 3.09Å
310T98.9Very high98.2Very high0 Ų047.9 Ų47.90%026%0.263CS..Hα-helixtrans-70.8-42.3174.9-54.50000110.6G258 F281 A282 L285 R306 T307 I308 I389G258-T310 PolarHBondContact N-OG1 3.41Å; G258-T310 VanDerWaalsContact N-OG1 3.07Å; F281-T310 HydrophobicContact CD1-CG2 4.18Å; F281-T310 HydrophobicContact CE1-CG2 3.83Å; A282-T310 HydrophobicContact CB-CG2 4.17Å; L285-T310 HydrophobicContact CD2-CG2 3.82Å; R306-T310 PolarHBondContact O-N 3.31Å; R306-T310 PolarHBondContact O-OG1 2.89Å; T307-T310 WeakPolarHBondContact O-CB 3.36Å; T307-T310 PolarHBondContact O-N 2.78Å; I308-T310 PolarHBondContact O-N 3.04Å; T310-I389 HydrophobicContact CG2-CD1 4.19Å; T310-I389 HydrophobicContact CG2-CG2 3.98Å
311A98.7Very high98.2Very high1 Ų150.5 Ų50.51%0.00827%0.273CS..Hα-helixtrans-70.1-36.4178.600000113.6V299 T301 T307 I308 A313 L314 Y318 I389V299-A311 HydrophobicContact CG1-CB 4.35Å; T301-A311 HydrophobicContact CG2-CB 3.41Å; T301-A311 VanDerWaalsContact CG2-CB 3.41Å; T307-A311 PolarHBondContact O-N 3.09Å; I308-A311 PolarHBondContact O-N 3.32Å; A311-A313 PolarHBondContact O-N 3.4Å; A311-L314 VanDerWaalsContact O-CB 3.22Å; A311-L314 WeakPolarHBondContact O-CB 3.19Å; A311-L314 WeakPolarHBondContact O-CG 3.4Å; A311-L314 PolarHBondContact O-N 3.48Å; A311-Y318 HydrophobicContact CB-CD1 3.94Å; A311-Y318 HydrophobicContact CB-CD2 4.29Å; A311-Y318 HydrophobicContact CB-CE1 4.39Å; A311-Y318 HydrophobicContact CB-CG 3.9Å; A311-I389 HydrophobicContact CB-CD1 3.92Å
312E98.5Very high98.2Very high112 Ų11257.4 Ų57.452%0.52330%0.303SS..Hα-helixtrans-55-34.5176.4-76.5-67.115100112.3I308 L314 G315 Y318I308-E312 HydrophobicContact CG2-CG 4.3Å; I308-E312 WeakPolarHBondContact O-CG 3.16Å; I308-E312 PolarHBondContact O-N 2.75Å; E312-L314 PolarHBondContact O-N 3.17Å; E312-G315 PolarHBondContact O-N 3.06Å; E312-Y318 HydrophobicContact CG-CE1 4.35Å; E312-Y318 WeakPolarHBondContact OE1-CE1 3.26Å; E312-Y318 PolarHBondContact OE1-OH 2.72Å
313A98Very high98.2Very high40 Ų4059.6 Ų59.633%0.33132%0.316SS..THydrogen-bonded Turntrans-66.6-19.5177.800000113.7A282 A286 A311 G315A282-A313 HydrophobicContact CB-CB 3.6Å; A286-A313 VanDerWaalsContact CB-O 3.25Å; A286-A313 WeakPolarHBondContact CB-O 3.24Å; A311-A313 PolarHBondContact O-N 3.4Å; A313-G315 VanDerWaalsContact C-N 3.32Å
314L97.3Very high98.2Very high22 Ų2255.2 Ų55.212%0.11530%0.296CS..THydrogen-bonded Turntrans-73.8-23.5179.2-54.8178.3000112.5L285 A286 V299 A311 E312 V316 L387 I389L285-L314 HydrophobicContact CB-CD2 4.47Å; L285-L314 HydrophobicContact CD2-CD2 4.23Å; L285-L314 HydrophobicContact CG-CD2 3.99Å; A286-L314 VanDerWaalsContact CA-CD2 3.46Å; A286-L314 HydrophobicContact CB-CD2 3.91Å; V299-L314 HydrophobicContact CG1-CD1 3.9Å; V299-L314 HydrophobicContact CG2-CD1 4.03Å; A311-L314 VanDerWaalsContact O-CB 3.22Å; A311-L314 WeakPolarHBondContact O-CB 3.19Å; A311-L314 WeakPolarHBondContact O-CG 3.4Å; A311-L314 PolarHBondContact O-N 3.48Å; E312-L314 PolarHBondContact O-N 3.17Å; L314-V316 HydrophobicContact CB-CG2 3.82Å; L314-V316 HydrophobicContact CD1-CG2 4.29Å; L314-V316 PolarHBondContact O-N 3.24Å; L314-L387 HydrophobicContact CD1-CD2 3.77Å; L314-I389 HydrophobicContact CD1-CD1 4.15Å
315G95.3Very high98.2Very high74 Ų7455.4 Ų55.476%0.76330%0.297SS*.THydrogen-bonded Turntrans65.921.2-176.800000114.7E312 A313E312-G315 PolarHBondContact O-N 3.06Å; A313-G315 VanDerWaalsContact C-N 3.32Å
316V95.3Very high98.2Very high65 Ų6551.9 Ų51.939%0.39428%0.282SS..SBendtrans-121.8157.7178.9-59.30000111.2V299 L314V299-V316 HydrophobicContact CG2-CG2 3.74Å; L314-V316 HydrophobicContact CB-CG2 3.82Å; L314-V316 HydrophobicContact CD1-CG2 4.29Å; L314-V316 PolarHBondContact O-N 3.24Å
317P97.5Very high98.2Very high121 Ų12152.5 Ų52.579%0.78629%0.286SS*.  trans-58.4141174.1-22.834000112.1
318Y98.5Very high98.2Very high56 Ų5655.9 Ų55.922%0.2230%0.304CS..  trans-140155175.365-91.1000111.2V299 T301 I308 A311 E312 Q320V299-Y318 CarbonylContact O-C 3.26Å; V299-Y318 WeakPolarHBondContact O-CA 3.2Å; V299-Y318 WeakPolarHBondContact O-CB 3.37Å; T301-Y318 HydrophobicContact CG2-CD2 3.93Å; T301-Y318 HydrophobicContact CG2-CG 4.4Å; I308-Y318 HydrophobicContact CG2-CE2 4.25Å; I308-Y318 WeakPolarHBondContact CG2-OH 3.41Å; A311-Y318 HydrophobicContact CB-CD1 3.94Å; A311-Y318 HydrophobicContact CB-CD2 4.29Å; A311-Y318 HydrophobicContact CB-CE1 4.39Å; A311-Y318 HydrophobicContact CB-CG 3.9Å; E312-Y318 HydrophobicContact CG-CE1 4.35Å; E312-Y318 WeakPolarHBondContact OE1-CE1 3.26Å; E312-Y318 PolarHBondContact OE1-OH 2.72Å; Y318-Q320 HydrophobicContact CD2-CG 4.18Å; Y318-Q320 HydrophobicContact CE2-CG 3.83Å
319E98.6Very high98.2Very high96 Ų9654.6 Ų54.645%0.44930%0.298SS..EExtended strand (participates in β ladder)trans-111.1137178.9-64.4173-169.300110.7V299 W300 T301 W321V299-E319 PolarHBondContact O-N 2.78Å; W300-E319 WeakPolarHBondContact CA-O 3.46Å; W300-E319 PolarHBondContact NE1-OE2 3.42Å; T301-E319 PolarHBondContact N-O 3.33Å; T301-E319 PolarHBondContact OG1-O 3.43Å; E319-W321 PolarHBondContact OE2-NE1 2.79Å
320Q98.8Very high98.1Very high90 Ų9052.2 Ų52.242%0.42129%0.292SS..EExtended strand (participates in β ladder)trans-100.3124.2179.9-57.5-178.224.400111Q303 I308 Y318Q303-Q320 HydrophobicContact CG-CB 4.12Å; I308-Q320 HydrophobicContact CD1-CG 4.47Å; I308-Q320 HydrophobicContact CG1-CG 4.4Å; Y318-Q320 HydrophobicContact CD2-CG 4.18Å; Y318-Q320 HydrophobicContact CE2-CG 3.83Å
321W98.7Very high98Very high57 Ų5754.7 Ų54.722%0.21631%0.306CS..  trans-117.6115.2-177.3-70.860.3000109.6W300 T301 E319 V323 L324 V376 E379W300-W321 AromaticContact CD1-NE1 3.97Å; T301-W321 PolarHBondContact O-N 3.06Å; E319-W321 PolarHBondContact OE2-NE1 2.79Å; W321-V323 HydrophobicContact CB-CG2 4.14Å; W321-V323 HydrophobicContact CE3-CG2 3.79Å; W321-V323 PolarHBondContact O-N 2.8Å; W321-L324 HydrophobicContact CB-CB 4.19Å; W321-L324 HydrophobicContact CB-CD1 3.78Å; W321-L324 HydrophobicContact CB-CG 3.99Å; W321-L324 HydrophobicContact CG-CD1 4.22Å; W321-L324 WeakPolarHBondContact O-CB 3.49Å; W321-L324 PolarHBondContact O-N 2.81Å; W321-V376 HydrophobicContact CE3-CG2 4.02Å; W321-V376 HydrophobicContact CZ3-CG2 4.36Å; W321-E379 HydrophobicContact CH2-CB 4.02Å; W321-E379 HydrophobicContact CH2-CG 3.9Å; W321-E379 HydrophobicContact CZ2-CG 4.26Å
322K98.5Very high98Very high145 Ų14554.6 Ų54.663%0.6331%0.306SS*.G310 helixtrans-57.9-36.2176.9-172175.3178.4-178.10112.2Q303 L324 N325Q303-K322 HydrophobicContact CG-CB 4.39Å; K322-L324 PolarHBondContact O-N 3.44Å; K322-L324 VanDerWaalsContact O-N 3.12Å; K322-N325 VanDerWaalsContact O-CB 3.28Å; K322-N325 WeakPolarHBondContact O-CB 3.37Å; K322-N325 VanDerWaalsContact O-CG 3.26Å; K322-N325 PolarHBondContact O-N 2.86Å
323V98.4Very high97.9Very high45 Ų4551.9 Ų51.927%0.27329%0.293SS..G310 helixtrans-66-8.3176.9-64.20000113.7W321 R372 L373 V376W321-V323 HydrophobicContact CB-CG2 4.14Å; W321-V323 HydrophobicContact CE3-CG2 3.79Å; W321-V323 PolarHBondContact O-N 2.8Å; V323-R372 VanDerWaalsContact C-NH1 3.34Å; V323-R372 PolarHBondContact O-NH1 2.68Å; V323-L373 WeakPolarHBondContact O-CD2 3.43Å; V323-V376 HydrophobicContact CB-CG2 4.43Å; V323-V376 HydrophobicContact CG2-CG2 3.48Å; V323-V376 VanDerWaalsContact CG2-CG2 3.48Å
324L98.8Very high97.9Very high0 Ų055.4 Ų55.40%030%0.303CS..G310 helixtrans-95.11.2171.4-75.9172.8000113.4W300 S302 W321 K322 L373 V376 V388 C390 H391 V394 L398W300-L324 HydrophobicContact CB-CD1 4.03Å; S302-L324 WeakPolarHBondContact CB-O 3.27Å; W321-L324 HydrophobicContact CB-CB 4.19Å; W321-L324 HydrophobicContact CB-CD1 3.78Å; W321-L324 HydrophobicContact CB-CG 3.99Å; W321-L324 HydrophobicContact CG-CD1 4.22Å; W321-L324 WeakPolarHBondContact O-CB 3.49Å; W321-L324 PolarHBondContact O-N 2.81Å; K322-L324 PolarHBondContact O-N 3.44Å; K322-L324 VanDerWaalsContact O-N 3.12Å; L324-L373 HydrophobicContact CD2-CD2 3.95Å; L324-V376 HydrophobicContact CD2-CG1 4.11Å; L324-V376 HydrophobicContact CD2-CG2 4.25Å; L324-V376 HydrophobicContact CG-CG2 4.23Å; L324-V388 HydrophobicContact CD1-CG1 4Å; L324-V388 HydrophobicContact CD2-CG1 4.01Å; L324-C390 HydrophobicContact CD2-CB 4.39Å; L324-H391 PolarHBondContact O-CD2 2.96Å; L324-V394 HydrophobicContact CD2-CG1 3.68Å; L324-L398 HydrophobicContact CD2-CD1 4.3Å
325N98.8Very high97.9Very high32 Ų3255.7 Ų55.717%0.17130%0.304CS..SBendtrans-58.7152.1173.3-74.96000111.1S302 Q303 M304 K322 R372 V394S302-N325 WeakPolarHBondContact CB-OD1 3.16Å; Q303-N325 PolarHBondContact N-OD1 2.83Å; M304-N325 HydrophobicContact CE-CB 3.9Å; M304-N325 HydrophobicContact SD-CB 4.19Å; K322-N325 VanDerWaalsContact O-CB 3.28Å; K322-N325 WeakPolarHBondContact O-CB 3.37Å; K322-N325 VanDerWaalsContact O-CG 3.26Å; K322-N325 PolarHBondContact O-N 2.86Å; N325-R372 VanDerWaalsContact O-CZ 3.26Å; N325-R372 PolarHBondContact O-NH1 3.26Å; N325-R372 PolarHBondContact O-NH2 3.16Å; N325-V394 WeakPolarHBondContact O-CG2 3.27Å
326E98.7Very high98Very high29 Ų2952.8 Ų52.814%0.13627%0.272CS..PPolyproline II helixtrans-58.1158.3176.8-171.755.3-5900111.2M304 D328 R372 H391 Q392 A393 V394M304-E326 HydrophobicContact CE-CB 4.19Å; M304-E326 HydrophobicContact SD-CB 3.98Å; M304-E326 PolarHBondContact SD-N 2.94Å; E326-D328 PolarHBondContact O-N 3.08Å; E326-R372 PolarHBondContact O-NH2 3.04Å; E326-H391 HydrophobicContact CB-CB 3.69Å; E326-H391 HydrophobicContact CG-CB 3.86Å; E326-H391 PolarHBondContact N-CD2 3.46Å; E326-H391 VanDerWaalsContact N-CD2 3.26Å; E326-H391 WeakPolarHBondContact OE1-CB 3.25Å; E326-H391 WeakPolarHBondContact OE2-CB 3.24Å; E326-Q392 PolarHBondContact OE2-N 3.49Å; E326-A393 WeakPolarHBondContact OE1-CB 3.42Å; E326-A393 PolarHBondContact OE1-N 2.89Å; E326-A393 VanDerWaalsContact OE1-N 3.09Å; E326-A393 PolarHBondContact OE2-N 2.9Å; E326-V394 PolarHBondContact OE1-N 3.3Å
327I98.6Very high98Very high21 Ų2150.9 Ų50.911%0.10826%0.257CS..PPolyproline II helixtrans-52.7130.2171.6-166.4171000110.5A329 E364 Y366 L369 A393I327-A329 PolarHBondContact O-N 3.38Å; I327-E364 WeakPolarHBondContact CA-OE2 3.11Å; I327-E364 HydrophobicContact CD1-CB 4.45Å; I327-E364 HydrophobicContact CG1-CB 3.72Å; I327-Y366 HydrophobicContact CD1-CD2 4.23Å; I327-Y366 HydrophobicContact CD1-CE2 4.44Å; I327-L369 HydrophobicContact CB-CD2 4.34Å; I327-A393 HydrophobicContact CB-CB 3.83Å; I327-A393 HydrophobicContact CG2-CB 3.58Å
328D98.5Very high97.8Very high71 Ų7147.6 Ų47.638%0.3823%0.232SC..  trans-75.8115178.1-169.9-22000110.3E326 G330 G363 E364E326-D328 PolarHBondContact O-N 3.08Å; D328-G330 PolarHBondContact O-N 3.47Å; D328-G330 WeakPolarHBondContact OD1-CA 3.47Å; D328-G330 PolarHBondContact OD1-N 3.2Å; D328-G363 CarbonylContact O-C 3.52Å; D328-G363 WeakPolarHBondContact O-CA 3.38Å; D328-E364 HydrophobicContact CB-CB 4.35Å; D328-E364 HydrophobicContact CB-CG 3.95Å; D328-E364 PolarHBondContact N-OE2 3.34Å; D328-E364 PolarHBondContact O-N 3.3Å
329A98.2Very high97.7Very high2 Ų247.6 Ų47.62%0.01723%0.234CC..  trans-83.14.1177.500000113.4I268 I327 V331 C332 E333 Y360I268-A329 HydrophobicContact CD1-CB 3.63Å; I268-A329 HydrophobicContact CG1-CB 4.25Å; I327-A329 PolarHBondContact O-N 3.38Å; A329-V331 PolarHBondContact O-N 3.04Å; A329-C332 HydrophobicContact CB-CB 4.15Å; A329-C332 WeakPolarHBondContact O-CB 3.34Å; A329-C332 PolarHBondContact O-N 2.96Å; A329-E333 HydrophobicContact CB-CG 4.21Å; A329-E333 VanDerWaalsContact CB-OE1 3.24Å; A329-E333 WeakPolarHBondContact CB-OE1 3.5Å; A329-E333 PolarHBondContact N-OE1 2.76Å; A329-Y360 HydrophobicContact CB-CD1 4.21Å; A329-Y360 HydrophobicContact CB-CD2 4.32Å; A329-Y360 HydrophobicContact CB-CE1 4.2Å; A329-Y360 HydrophobicContact CB-CE2 4.32Å; A329-Y360 HydrophobicContact CB-CG 4.26Å; A329-Y360 WeakPolarHBondContact O-CB 3.17Å; A329-Y360 WeakPolarHBondContact O-CD1 3.34Å
330G97.7Very high97.6Very high18 Ų1843.2 Ų43.219%0.18621%0.213CC..G310 helixtrans55.3-119.9176.200000112.2D328 C332 E333 P361D328-G330 PolarHBondContact O-N 3.47Å; D328-G330 WeakPolarHBondContact OD1-CA 3.47Å; D328-G330 PolarHBondContact OD1-N 3.2Å; G330-C332 PolarHBondContact O-N 2.72Å; G330-C332 VanDerWaalsContact O-N 3.15Å; G330-E333 WeakPolarHBondContact O-CB 3.44Å; G330-E333 WeakPolarHBondContact O-CG 3.49Å; G330-E333 PolarHBondContact O-N 3.48Å; G330-P361 WeakPolarHBondContact CA-O 3.47Å
331V97.5Very high97.3Very high51 Ų5139.7 Ų39.731%0.30920%0.197SC..G310 helixtrans-66.5-11.7177.9-56.50000114.2A329 P361 K362A329-V331 PolarHBondContact O-N 3.04Å; V331-P361 HydrophobicContact CG1-CB 4.44Å; V331-P361 HydrophobicContact CG2-CB 3.77Å; V331-P361 HydrophobicContact CG2-CG 3.94Å; V331-P361 PolarHBondContact N-O 2.8Å; V331-K362 HydrophobicContact CG1-CD 4.13Å; V331-K362 HydrophobicContact CG1-CG 4.44Å
332C97.7Very high97Very high0 Ų042.6 Ų42.60%022%0.216CC..G310 helixtrans-995.9178.9-58.50000113.4I268 A329 G330 M335 I340 Y360I268-C332 HydrophobicContact CD1-CB 4.41Å; I268-C332 WeakPolarHBondContact CG1-O 3.2Å; A329-C332 HydrophobicContact CB-CB 4.15Å; A329-C332 WeakPolarHBondContact O-CB 3.34Å; A329-C332 PolarHBondContact O-N 2.96Å; G330-C332 PolarHBondContact O-N 2.72Å; G330-C332 VanDerWaalsContact O-N 3.15Å; C332-M335 HydrophobicContact CB-SD 4.43Å; C332-M335 PolarHBondContact O-N 3.4Å; C332-I340 HydrophobicContact CB-CD1 3.91Å; C332-I340 HydrophobicContact CB-CG1 4.04Å; C332-Y360 HydrophobicContact CB-CD1 3.84Å; C332-Y360 HydrophobicContact CB-CE1 3.82Å
333E97.4Very high96.9Very high54 Ų5440.5 Ų40.525%0.25221%0.212SC..THydrogen-bonded Turntrans-57.2143.5173-76.5-72.4121.200111.2G269 G270 A329 G330 M335G269-E333 WeakPolarHBondContact CA-OE1 2.9Å; G269-E333 WeakPolarHBondContact CA-OE2 3.49Å; G270-E333 PolarHBondContact N-OE2 3.08Å; A329-E333 HydrophobicContact CB-CG 4.21Å; A329-E333 VanDerWaalsContact CB-OE1 3.24Å; A329-E333 WeakPolarHBondContact CB-OE1 3.5Å; A329-E333 PolarHBondContact N-OE1 2.76Å; G330-E333 WeakPolarHBondContact O-CB 3.44Å; G330-E333 WeakPolarHBondContact O-CG 3.49Å; G330-E333 PolarHBondContact O-N 3.48Å; E333-M335 PolarHBondContact O-N 3.02Å; E333-M335 VanDerWaalsContact O-N 3.12Å
334E97.1Very high96.7Very high114 Ų11442.5 Ų42.553%0.53322%0.215SC..THydrogen-bonded Turntrans62.19.4-179.1-54.9-172.8-17400115.8L262 R267 I268L262-E334 HydrophobicContact CD1-CG 4.41Å; R267-E334 WeakPolarHBondContact CD-O 3.26Å; R267-E334 WeakPolarHBondContact CG-O 3.39Å; R267-E334 PolarHBondContact NH1-O 3.25Å; I268-E334 WeakPolarHBondContact O-CA 3.4Å; I268-E334 PolarHBondContact O-N 2.95Å
335M97.5Very high96.4Very high28 Ų2845.8 Ų45.814%0.13824%0.236CC..  trans-93154.1177.3-59.3-178.480.900112.6R267 I268 C332 E333 E339 I340 N343 Y344R267-M335 CarbonylContact C-O 3.54Å; R267-M335 WeakPolarHBondContact CA-O 3.37Å; I268-M335 PolarHBondContact N-O 2.68Å; C332-M335 HydrophobicContact CB-SD 4.43Å; C332-M335 PolarHBondContact O-N 3.4Å; E333-M335 PolarHBondContact O-N 3.02Å; E333-M335 VanDerWaalsContact O-N 3.12Å; M335-E339 VanDerWaalsContact CA-OE2 3.26Å; M335-E339 WeakPolarHBondContact CA-OE2 3.19Å; M335-E339 HydrophobicContact CB-CB 4.24Å; M335-E339 HydrophobicContact CE-CB 3.86Å; M335-I340 HydrophobicContact CB-CD1 4.26Å; M335-I340 HydrophobicContact CB-CG1 3.8Å; M335-I340 HydrophobicContact SD-CG1 4.27Å; M335-N343 HydrophobicContact CE-CB 4.03Å; M335-N343 VanDerWaalsContact CE-ND2 3.27Å; M335-N343 WeakPolarHBondContact CE-ND2 3.5Å; M335-Y344 HydrophobicContact CE-CD2 4.39Å; M335-Y344 HydrophobicContact CE-CE2 4.02Å; M335-Y344 HydrophobicContact SD-CD2 4.41Å; M335-Y344 HydrophobicContact SD-CE2 3.88Å
336T96.6Very high96Very high14 Ų1448.5 Ų48.59%0.08625%0.251CS..BIsolated β-bridgetrans-79.9165.216480.60000111.1G266 R267 E338 E339 I340G266-T336 WeakPolarHBondContact O-CA 3.47Å; R267-T336 HydrophobicContact CG-CG2 3.64Å; T336-E338 VanDerWaalsContact C-N 3.26Å; T336-E338 WeakPolarHBondContact CB-OE2 3.46Å; T336-E338 PolarHBondContact O-N 2.84Å; T336-E338 PolarHBondContact OG1-N 3.3Å; T336-E338 PolarHBondContact OG1-OE2 2.68Å; T336-E339 PolarHBondContact N-OE2 3.43Å; T336-E339 PolarHBondContact O-N 2.95Å; T336-E339 WeakPolarHBondContact OG1-CG 3.48Å; T336-E339 PolarHBondContact OG1-N 3.44Å; T336-E339 VanDerWaalsContact OG1-N 3.14Å; T336-I340 VanDerWaalsContact O-CG1 3.27Å; T336-I340 WeakPolarHBondContact O-CG1 3.36Å; T336-I340 PolarHBondContact O-N 3.04Å
337Y95.1Very high95.8Very high24 Ų2448.6 Ų48.69%0.09425%0.251CS..Hα-helixtrans-65.1-32.8175.9-76.9-67.6000112.5I268 I340 Q341 F348 V465I268-Y337 HydrophobicContact CG2-CE1 4.37Å; I268-Y337 HydrophobicContact CG2-CE2 3.95Å; Y337-I340 PolarHBondContact O-N 3.18Å; Y337-Q341 WeakPolarHBondContact O-CB 3.3Å; Y337-Q341 PolarHBondContact O-N 3.49Å; Y337-F348 HydrophobicContact CD1-CE2 4.03Å; Y337-F348 WeakPolarHBondContact O-CE2 3.4Å; Y337-V465 HydrophobicContact CD2-CG1 3.98Å; Y337-V465 HydrophobicContact CG-CG1 4.25Å; Y337-V465 HydrophobicContact CG-CG2 4.24Å
338E94.7Very high95.5Very high53 Ų5347.9 Ų47.925%0.24825%0.247CC..Hα-helixtrans-63.9-48.8173.6-56.377.1-169.500110.3T336 I340 Q341 D342 L462 V465 H468T336-E338 VanDerWaalsContact C-N 3.26Å; T336-E338 WeakPolarHBondContact CB-OE2 3.46Å; T336-E338 PolarHBondContact O-N 2.84Å; T336-E338 PolarHBondContact OG1-N 3.3Å; T336-E338 PolarHBondContact OG1-OE2 2.68Å; E338-I340 VanDerWaalsContact C-N 3.27Å; E338-I340 PolarHBondContact O-N 3.26Å; E338-Q341 PolarHBondContact O-N 2.78Å; E338-Q341 VanDerWaalsContact O-N 3.11Å; E338-D342 PolarHBondContact O-N 3.33Å; E338-L462 HydrophobicContact CG-CD1 4.24Å; E338-L462 HydrophobicContact CG-CD2 4.33Å; E338-V465 WeakPolarHBondContact OE1-CG1 3.38Å; E338-H468 IonicContact OE1-CD2 3.96Å; E338-H468 IonicContact OE1-CE1 3.91Å; E338-H468 IonicContact OE1-NE2 2.87Å; E338-H468 PolarHBondContact OE1-NE2 3.3Å; E338-H468 IonicContact OE2-NE2 2.92Å; E338-H468 PolarHBondContact OE2-NE2 3.38Å
339E96.1Very high95.2Very high56 Ų5644.7 Ų44.726%0.26223%0.23SC..Hα-helixtrans-61.3-35.2175.9-68.4172.5156.500112.1R267 M335 T336 N343R267-E339 IonicContact CZ-OE1 3.27Å; R267-E339 IonicContact CZ-OE2 3.54Å; R267-E339 IonicContact NH1-OE1 2.73Å; R267-E339 PolarHBondContact NH1-OE1 3.03Å; R267-E339 IonicContact NH1-OE2 3.45Å; R267-E339 PolarHBondContact NH1-OE2 3.32Å; R267-E339 IonicContact NH2-OE1 3.42Å; R267-E339 PolarHBondContact NH2-OE1 3.28Å; R267-E339 IonicContact NH2-OE2 3.78Å; M335-E339 VanDerWaalsContact CA-OE2 3.26Å; M335-E339 WeakPolarHBondContact CA-OE2 3.19Å; M335-E339 HydrophobicContact CB-CB 4.24Å; M335-E339 HydrophobicContact CE-CB 3.86Å; T336-E339 PolarHBondContact N-OE2 3.43Å; T336-E339 PolarHBondContact O-N 2.95Å; T336-E339 WeakPolarHBondContact OG1-CG 3.48Å; T336-E339 PolarHBondContact OG1-N 3.44Å; T336-E339 VanDerWaalsContact OG1-N 3.14Å; E339-N343 VanDerWaalsContact O-CB 3.27Å; E339-N343 WeakPolarHBondContact O-CB 3.43Å; E339-N343 PolarHBondContact O-N 2.97Å; E339-N343 PolarHBondContact O-ND2 3.43Å
340I95.8Very high95Very high4 Ų445.2 Ų45.22%0.02123%0.233CC..Hα-helixtrans-68.7-42.1175.2-64.7164.4000110.7I268 C332 M335 T336 Y337 E338 D342 Y344 F348I268-I340 HydrophobicContact CD1-CD1 3.55Å; I268-I340 HydrophobicContact CG1-CD1 4.26Å; C332-I340 HydrophobicContact CB-CD1 3.91Å; C332-I340 HydrophobicContact CB-CG1 4.04Å; M335-I340 HydrophobicContact CB-CD1 4.26Å; M335-I340 HydrophobicContact CB-CG1 3.8Å; M335-I340 HydrophobicContact SD-CG1 4.27Å; T336-I340 VanDerWaalsContact O-CG1 3.27Å; T336-I340 WeakPolarHBondContact O-CG1 3.36Å; T336-I340 PolarHBondContact O-N 3.04Å; Y337-I340 PolarHBondContact O-N 3.18Å; E338-I340 VanDerWaalsContact C-N 3.27Å; E338-I340 PolarHBondContact O-N 3.26Å; I340-D342 VanDerWaalsContact C-N 3.33Å; I340-Y344 CarbonylContact O-C 3.59Å; I340-Y344 VanDerWaalsContact O-CA 3.26Å; I340-Y344 WeakPolarHBondContact O-CA 3.35Å; I340-Y344 WeakPolarHBondContact O-CB 3.34Å; I340-Y344 PolarHBondContact O-N 3.44Å; I340-F348 HydrophobicContact CB-CD2 4.29Å; I340-F348 HydrophobicContact CG2-CB 4.36Å; I340-F348 HydrophobicContact CG2-CD2 3.96Å
341Q93Very high94.9Very high15 Ų1545.2 Ų45.27%0.0723%0.227CC..Hα-helixtrans-62.8-40.8176.7175.259.730.600111.3Y337 E338 P345 F348 P458 L462Y337-Q341 WeakPolarHBondContact O-CB 3.3Å; Y337-Q341 PolarHBondContact O-N 3.49Å; E338-Q341 PolarHBondContact O-N 2.78Å; E338-Q341 VanDerWaalsContact O-N 3.11Å; Q341-P345 VanDerWaalsContact O-CA 3.3Å; Q341-P345 WeakPolarHBondContact O-CA 3.49Å; Q341-P345 WeakPolarHBondContact O-CB 3.36Å; Q341-P345 WeakPolarHBondContact O-CD 3.25Å; Q341-F348 HydrophobicContact CB-CD2 3.96Å; Q341-F348 HydrophobicContact CB-CE2 4.21Å; Q341-F348 HydrophobicContact CB-CG 4.18Å; Q341-F348 VanDerWaalsContact OE1-CB 3.29Å; Q341-P458 HydrophobicContact CG-CB 4.26Å; Q341-L462 HydrophobicContact CB-CD2 4.07Å; Q341-L462 HydrophobicContact CG-CD1 4.49Å; Q341-L462 HydrophobicContact CG-CD2 4.38Å; Q341-L462 HydrophobicContact CG-CG 4.37Å
342D93.3Very high94.7Very high118 Ų11842.9 Ų42.963%0.63121%0.213SC*.Hα-helixtrans-71.7-45.5-179.4-69.1-19000112.2E338 I340E338-D342 PolarHBondContact O-N 3.33Å; I340-D342 VanDerWaalsContact C-N 3.33Å
343N94.9Very high94.4Very high101 Ų10146.5 Ų46.554%0.5423%0.23SC..Hα-helixtrans-86.1-29-175.3-65.5-62.5000113.5M335 E339M335-N343 HydrophobicContact CE-CB 4.03Å; M335-N343 VanDerWaalsContact CE-ND2 3.27Å; M335-N343 WeakPolarHBondContact CE-ND2 3.5Å; E339-N343 VanDerWaalsContact O-CB 3.27Å; E339-N343 WeakPolarHBondContact O-CB 3.43Å; E339-N343 PolarHBondContact O-N 2.97Å; E339-N343 PolarHBondContact O-ND2 3.43Å
344Y94.3Very high94.3Very high88 Ų8845.7 Ų45.735%0.34523%0.227SC..  trans-137.958.4-175-52.7-75.9000112.4M335 I340 L346 E347 F348M335-Y344 HydrophobicContact CE-CD2 4.39Å; M335-Y344 HydrophobicContact CE-CE2 4.02Å; M335-Y344 HydrophobicContact SD-CD2 4.41Å; M335-Y344 HydrophobicContact SD-CE2 3.88Å; I340-Y344 CarbonylContact O-C 3.59Å; I340-Y344 VanDerWaalsContact O-CA 3.26Å; I340-Y344 WeakPolarHBondContact O-CA 3.35Å; I340-Y344 WeakPolarHBondContact O-CB 3.34Å; I340-Y344 PolarHBondContact O-N 3.44Å; Y344-L346 VanDerWaalsContact C-N 3.29Å; Y344-L346 PolarHBondContact O-N 2.83Å; Y344-E347 PolarHBondContact O-N 3.46Å; Y344-F348 PolarHBondContact O-N 2.99Å
345P92Very high94.3Very high68 Ų6840.5 Ų40.544%0.44220%0.203SC..Hα-helixtrans-58.7-37.3-173.221.4-33.4000113.5Q341 F348 A349Q341-P345 VanDerWaalsContact O-CA 3.3Å; Q341-P345 WeakPolarHBondContact O-CA 3.49Å; Q341-P345 WeakPolarHBondContact O-CB 3.36Å; Q341-P345 WeakPolarHBondContact O-CD 3.25Å; P345-F348 PolarHBondContact O-N 2.68Å; P345-A349 PolarHBondContact O-N 3.01Å; P345-A349 VanDerWaalsContact O-N 3.08Å
346L91.5Very high94.3Very high90 Ų9039.9 Ų39.947%0.47120%0.199SC..Hα-helixtrans-64.5-43.4176.6178.563000111.9Y344 A349 L350 I454Y344-L346 VanDerWaalsContact C-N 3.29Å; Y344-L346 PolarHBondContact O-N 2.83Å; L346-A349 PolarHBondContact O-N 3.45Å; L346-L350 HydrophobicContact CD1-CD1 4.19Å; L346-L350 HydrophobicContact CD1-CG 4.21Å; L346-L350 HydrophobicContact CG-CD1 3.93Å; L346-L350 HydrophobicContact CG-CG 4.38Å; L346-L350 WeakPolarHBondContact O-CB 3.41Å; L346-L350 VanDerWaalsContact O-CG 3.25Å; L346-L350 WeakPolarHBondContact O-CG 3.39Å; L346-L350 PolarHBondContact O-N 2.94Å; L346-I454 HydrophobicContact CD1-CD1 3.91Å; L346-I454 HydrophobicContact CD1-CG1 4.22Å; L346-I454 HydrophobicContact CD1-CG2 3.85Å
347E94.2Very high94.3Very high31 Ų3143.3 Ų43.315%0.14521%0.211CC..Hα-helixtrans-66.7-40179.4-65.9-63145.400111.1K14 Y344 A349 L350 R351 Y358 P361K14-E347 WeakPolarHBondContact CE-OE1 3.25Å; K14-E347 WeakPolarHBondContact CE-OE2 2.99Å; K14-E347 IonicContact NZ-OE1 2.88Å; K14-E347 PolarHBondContact NZ-OE1 3.46Å; K14-E347 IonicContact NZ-OE2 3.8Å; K14-E347 PolarHBondContact NZ-OE2 3.1Å; Y344-E347 PolarHBondContact O-N 3.46Å; E347-A349 PolarHBondContact O-N 3.23Å; E347-L350 PolarHBondContact O-N 2.84Å; E347-R351 WeakPolarHBondContact O-CB 3.48Å; E347-R351 PolarHBondContact O-N 2.86Å; E347-Y358 HydrophobicContact CB-CE2 4.45Å; E347-Y358 WeakPolarHBondContact O-CE2 3.41Å; E347-Y358 VanDerWaalsContact OE2-CE2 3.24Å; E347-Y358 WeakPolarHBondContact OE2-CE2 3.46Å; E347-Y358 PolarHBondContact OE2-OH 3.28Å; E347-P361 HydrophobicContact CG-CG 4.14Å
348F93.4Very high94.4Very high6 Ų642.4 Ų42.43%0.02621%0.207CC..Hα-helixtrans-59.4-45.7174.8-167.2-80.9000111.7Y337 I340 Q341 Y344 P345 D352 R446 A461 L462 V465Y337-F348 HydrophobicContact CD1-CE2 4.03Å; Y337-F348 WeakPolarHBondContact O-CE2 3.4Å; I340-F348 HydrophobicContact CB-CD2 4.29Å; I340-F348 HydrophobicContact CG2-CB 4.36Å; I340-F348 HydrophobicContact CG2-CD2 3.96Å; Q341-F348 HydrophobicContact CB-CD2 3.96Å; Q341-F348 HydrophobicContact CB-CE2 4.21Å; Q341-F348 HydrophobicContact CB-CG 4.18Å; Q341-F348 VanDerWaalsContact OE1-CB 3.29Å; Y344-F348 PolarHBondContact O-N 2.99Å; P345-F348 PolarHBondContact O-N 2.68Å; F348-D352 PolarHBondContact O-N 2.99Å; F348-R446 VanDerWaalsContact CE1-NH2 3.33Å; F348-A461 HydrophobicContact CD1-CB 4.25Å; F348-A461 HydrophobicContact CE1-CB 3.84Å; F348-L462 HydrophobicContact CE2-CD2 4.33Å; F348-L462 HydrophobicContact CZ-CD2 4.03Å; F348-V465 HydrophobicContact CZ-CG2 4.31Å
349A91.6Very high94.6Very high3 Ų342.7 Ų42.73%0.02521%0.206CC..Hα-helixtrans-67-45.317700000112.9P345 L346 E347 R351 D352 Q353 I454P345-A349 PolarHBondContact O-N 3.01Å; P345-A349 VanDerWaalsContact O-N 3.08Å; L346-A349 PolarHBondContact O-N 3.45Å; E347-A349 PolarHBondContact O-N 3.23Å; A349-R351 VanDerWaalsContact C-N 3.26Å; A349-R351 PolarHBondContact O-N 3.46Å; A349-D352 PolarHBondContact O-N 3.23Å; A349-Q353 WeakPolarHBondContact O-CG 3.23Å; A349-Q353 PolarHBondContact O-N 3.06Å; A349-Q353 VanDerWaalsContact O-N 3.14Å; A349-I454 HydrophobicContact CB-CB 4.12Å; A349-I454 HydrophobicContact CB-CG1 3.66Å; A349-I454 HydrophobicContact CB-CG2 4.4Å
350L93.5Very high94.7Very high13 Ų1340.4 Ų40.47%0.06820%0.195CC..Hα-helixtrans-58.8-39.3177.2-74.5171.6000111.9P11 L12 L346 E347 D352 Q353 D354 Y358 I454P11-L350 HydrophobicContact CB-CD1 3.84Å; L12-L350 HydrophobicContact CD1-CB 4.44Å; L12-L350 WeakPolarHBondContact CD1-O 3.46Å; L346-L350 HydrophobicContact CD1-CD1 4.19Å; L346-L350 HydrophobicContact CD1-CG 4.21Å; L346-L350 HydrophobicContact CG-CD1 3.93Å; L346-L350 HydrophobicContact CG-CG 4.38Å; L346-L350 WeakPolarHBondContact O-CB 3.41Å; L346-L350 VanDerWaalsContact O-CG 3.25Å; L346-L350 WeakPolarHBondContact O-CG 3.39Å; L346-L350 PolarHBondContact O-N 2.94Å; E347-L350 PolarHBondContact O-N 2.84Å; L350-D352 VanDerWaalsContact C-N 3.28Å; L350-D352 PolarHBondContact O-N 3.26Å; L350-Q353 PolarHBondContact O-N 3.11Å; L350-D354 PolarHBondContact O-N 3.25Å; L350-Y358 HydrophobicContact CB-CD2 4Å; L350-Y358 HydrophobicContact CB-CE2 4.16Å; L350-I454 HydrophobicContact CD2-CD1 4.43Å
351R96Very high94.7Very high19 Ų1941.5 Ų41.57%0.07220%0.202CC..Hα-helixtrans-63.5-34175.4-175.6172.7179.8-94.218.6112.9E347 A349 K355 Y358 Y360E347-R351 WeakPolarHBondContact O-CB 3.48Å; E347-R351 PolarHBondContact O-N 2.86Å; A349-R351 VanDerWaalsContact C-N 3.26Å; A349-R351 PolarHBondContact O-N 3.46Å; R351-K355 HydrophobicContact CG-CG 4.28Å; R351-K355 WeakPolarHBondContact O-CA 3.47Å; R351-K355 VanDerWaalsContact O-CB 3.25Å; R351-K355 WeakPolarHBondContact O-CB 3.19Å; R351-K355 PolarHBondContact O-N 2.88Å; R351-K355 VanDerWaalsContact O-N 3.11Å; R351-Y358 VanDerWaalsContact CA-CG 3.48Å; R351-Y358 HydrophobicContact CB-CD1 3.62Å; R351-Y358 HydrophobicContact CB-CD2 3.82Å; R351-Y358 HydrophobicContact CB-CE1 3.77Å; R351-Y358 HydrophobicContact CB-CE2 3.94Å; R351-Y358 HydrophobicContact CB-CG 3.65Å; R351-Y358 HydrophobicContact CG-CD1 3.51Å; R351-Y358 HydrophobicContact CG-CE1 3.84Å; R351-Y358 HydrophobicContact CG-CG 3.91Å; R351-Y360 WeakPolarHBondContact CD-OH 3.46Å; R351-Y360 PolarHBondContact NE-OH 3.02Å; R351-Y360 PolarHBondContact NH2-OH 3.09Å
352D93.3Very high94.9Very high1 Ų149.9 Ų49.91%0.00524%0.239CC..Hα-helixtrans-76.3-28.7179.3-80-9.7000113.4F348 A349 L350 R446 P449 V452 R456F348-D352 PolarHBondContact O-N 2.99Å; A349-D352 PolarHBondContact O-N 3.23Å; L350-D352 VanDerWaalsContact C-N 3.28Å; L350-D352 PolarHBondContact O-N 3.26Å; D352-R446 IonicContact OD1-CZ 3.13Å; D352-R446 IonicContact OD1-NH1 3.46Å; D352-R446 PolarHBondContact OD1-NH1 3.26Å; D352-R446 IonicContact OD1-NH2 3.05Å; D352-R446 PolarHBondContact OD1-NH2 3.46Å; D352-R446 IonicContact OD2-CZ 3.94Å; D352-R446 IonicContact OD2-NH1 2.83Å; D352-R446 PolarHBondContact OD2-NH1 2.97Å; D352-R446 IonicContact OD2-NH2 2.68Å; D352-R446 PolarHBondContact OD2-NH2 3.06Å; D352-P449 HydrophobicContact CB-CG 3.88Å; D352-P449 WeakPolarHBondContact OD2-CG 3.42Å; D352-V452 HydrophobicContact CB-CB 4.38Å; D352-V452 HydrophobicContact CB-CG1 4.09Å; D352-V452 WeakPolarHBondContact O-CG1 3.38Å; D352-R456 IonicContact OD2-CZ 2.75Å; D352-R456 VanDerWaalsContact OD2-CZ 3.28Å; D352-R456 IonicContact OD2-NH1 3.38Å; D352-R456 PolarHBondContact OD2-NH1 3.25Å; D352-R456 IonicContact OD2-NH2 3.69Å; D352-R456 PolarHBondContact OD2-NH2 3.04Å
353Q92.1Very high95.1Very high77 Ų7745 Ų4536%0.3622%0.216SC..Hα-helixtrans-67.1-49.5177.4-70.5177.41.300112.6A349 L350 V452A349-Q353 WeakPolarHBondContact O-CG 3.23Å; A349-Q353 PolarHBondContact O-N 3.06Å; A349-Q353 VanDerWaalsContact O-N 3.14Å; L350-Q353 PolarHBondContact O-N 3.11Å; Q353-V452 HydrophobicContact CG-CB 3.89Å; Q353-V452 HydrophobicContact CG-CG2 3.92Å; Q353-V452 WeakPolarHBondContact CG-O 3.44Å; Q353-V452 PolarHBondContact NE2-O 3.04Å
354D94.1Very high95.3Very high36 Ų3642.1 Ų42.119%0.19320%0.199CC..  trans-14181.5175.6-174.3-12.5000110.2L12 L350 Y356 R357 Y358L12-D354 HydrophobicContact CD1-CB 4.19Å; L12-D354 HydrophobicContact CD2-CB 3.96Å; L350-D354 PolarHBondContact O-N 3.25Å; D354-Y356 PolarHBondContact O-N 2.9Å; D354-Y356 VanDerWaalsContact O-N 3.16Å; D354-Y356 PolarHBondContact OD1-N 3.32Å; D354-R357 PolarHBondContact O-N 2.96Å; D354-R357 PolarHBondContact OD1-N 2.95Å; D354-R357 VanDerWaalsContact OD1-N 3.08Å; D354-R357 IonicContact OD1-NH1 3.08Å; D354-R357 WeakPolarHBondContact OD2-CB 3.33Å; D354-R357 VanDerWaalsContact OD2-CD 3.24Å; D354-R357 WeakPolarHBondContact OD2-CD 3.49Å; D354-R357 VanDerWaalsContact OD2-CG 3.32Å; D354-R357 WeakPolarHBondContact OD2-CG 3.39Å; D354-R357 IonicContact OD2-CZ 3.71Å; D354-R357 IonicContact OD2-NE 2.73Å; D354-R357 IonicContact OD2-NH1 3.29Å; D354-R357 PolarHBondContact OD2-NH1 3.05Å; D354-Y358 WeakPolarHBondContact O-CB 3.3Å; D354-Y358 PolarHBondContact O-N 2.86Å
355K97.1Very high95.5Very high5 Ų538 Ų382%0.02218%0.183CC..THydrogen-bonded Turntrans-62.7-21.6-177.6-163.7177.1176.2-164.50113.7R351 Y366 P411 Y412R351-K355 HydrophobicContact CG-CG 4.28Å; R351-K355 WeakPolarHBondContact O-CA 3.47Å; R351-K355 VanDerWaalsContact O-CB 3.25Å; R351-K355 WeakPolarHBondContact O-CB 3.19Å; R351-K355 PolarHBondContact O-N 2.88Å; R351-K355 VanDerWaalsContact O-N 3.11Å; K355-Y366 HydrophobicContact CG-CE2 4.45Å; K355-Y366 WeakPolarHBondContact O-CD2 3.25Å; K355-P411 HydrophobicContact CB-CB 4.04Å; K355-P411 HydrophobicContact CB-CG 4.33Å; K355-P411 HydrophobicContact CD-CB 3.68Å; K355-P411 HydrophobicContact CG-CB 3.76Å; K355-P411 HydrophobicContact CG-CG 4.45Å; K355-P411 PolarHBondContact NZ-O 3.13Å; K355-Y412 HydrophobicContact CB-CE2 4.26Å; K355-Y412 WeakPolarHBondContact CB-OH 3.41Å; K355-Y412 HydrophobicContact CD-CD1 4.29Å; K355-Y412 HydrophobicContact CD-CE1 3.54Å; K355-Y412 HydrophobicContact CD-CE2 4.21Å
356Y97.2Very high95.8Very high16 Ų1635 Ų356%0.06316%0.163CC..THydrogen-bonded Turntrans-76.7-47.8178.7178.4-101.5000111D354 Y366 E367 V370 A407 L410 P411D354-Y356 PolarHBondContact O-N 2.9Å; D354-Y356 VanDerWaalsContact O-N 3.16Å; D354-Y356 PolarHBondContact OD1-N 3.32Å; Y356-Y366 PolarHBondContact O-N 3.05Å; Y356-E367 HydrophobicContact CD1-CB 4.48Å; Y356-E367 HydrophobicContact CE1-CB 3.9Å; Y356-E367 HydrophobicContact CE1-CG 4.21Å; Y356-E367 PolarHBondContact O-N 2.86Å; Y356-V370 HydrophobicContact CE2-CG2 4.26Å; Y356-A407 WeakPolarHBondContact CB-O 3.46Å; Y356-A407 HydrophobicContact CD1-CB 3.79Å; Y356-A407 HydrophobicContact CD2-CB 4.04Å; Y356-A407 WeakPolarHBondContact CD2-O 3.46Å; Y356-A407 HydrophobicContact CE1-CB 3.73Å; Y356-A407 HydrophobicContact CE2-CB 3.98Å; Y356-A407 HydrophobicContact CG-CB 3.96Å; Y356-L410 HydrophobicContact CE2-CD1 4.13Å; Y356-P411 HydrophobicContact CD2-CG 4.32Å
357R96.6Very high96Very high86 Ų8633.4 Ų33.433%0.32515%0.153SC..THydrogen-bonded Turntrans-91-17.3-175.3-58.6-172.7179.586.5-0.5114.5L12 D354 R359L12-R357 HydrophobicContact CD2-CB 4.15Å; D354-R357 PolarHBondContact O-N 2.96Å; D354-R357 PolarHBondContact OD1-N 2.95Å; D354-R357 VanDerWaalsContact OD1-N 3.08Å; D354-R357 IonicContact OD1-NH1 3.08Å; D354-R357 WeakPolarHBondContact OD2-CB 3.33Å; D354-R357 VanDerWaalsContact OD2-CD 3.24Å; D354-R357 WeakPolarHBondContact OD2-CD 3.49Å; D354-R357 VanDerWaalsContact OD2-CG 3.32Å; D354-R357 WeakPolarHBondContact OD2-CG 3.39Å; D354-R357 IonicContact OD2-CZ 3.71Å; D354-R357 IonicContact OD2-NE 2.73Å; D354-R357 IonicContact OD2-NH1 3.29Å; D354-R357 PolarHBondContact OD2-NH1 3.05Å; R357-R359 PolarHBondContact O-N 3.07Å
358Y97.6Very high96.2Very high5 Ų533.7 Ų33.72%0.0216%0.156CC..  trans-57.8126.8175168.7-90.8000110.4L12 E347 L350 R351 D354 Y360 S365L12-Y358 HydrophobicContact CD1-CD2 4.35Å; L12-Y358 WeakPolarHBondContact O-CA 3.5Å; E347-Y358 HydrophobicContact CB-CE2 4.45Å; E347-Y358 WeakPolarHBondContact O-CE2 3.41Å; E347-Y358 VanDerWaalsContact OE2-CE2 3.24Å; E347-Y358 WeakPolarHBondContact OE2-CE2 3.46Å; E347-Y358 PolarHBondContact OE2-OH 3.28Å; L350-Y358 HydrophobicContact CB-CD2 4Å; L350-Y358 HydrophobicContact CB-CE2 4.16Å; R351-Y358 VanDerWaalsContact CA-CG 3.48Å; R351-Y358 HydrophobicContact CB-CD1 3.62Å; R351-Y358 HydrophobicContact CB-CD2 3.82Å; R351-Y358 HydrophobicContact CB-CE1 3.77Å; R351-Y358 HydrophobicContact CB-CE2 3.94Å; R351-Y358 HydrophobicContact CB-CG 3.65Å; R351-Y358 HydrophobicContact CG-CD1 3.51Å; R351-Y358 HydrophobicContact CG-CE1 3.84Å; R351-Y358 HydrophobicContact CG-CG 3.91Å; D354-Y358 WeakPolarHBondContact O-CB 3.3Å; D354-Y358 PolarHBondContact O-N 2.86Å; Y358-Y360 HydrophobicContact CD1-CD2 4.43Å; Y358-Y360 AromaticContact CE1-CD1 3.81Å; Y358-Y360 HydrophobicContact CE1-CD1 3.81Å; Y358-Y360 AromaticContact CE1-CD2 3.78Å; Y358-Y360 HydrophobicContact CE1-CD2 3.78Å; Y358-Y360 HydrophobicContact CE1-CE1 4.02Å; Y358-Y360 AromaticContact CE1-CE2 3.99Å; Y358-Y360 HydrophobicContact CE1-CE2 3.99Å; Y358-Y360 AromaticContact CE1-CG 3.69Å; Y358-Y360 HydrophobicContact CE1-CG 3.69Å; Y358-S365 VanDerWaalsContact O-CA 3.25Å; Y358-S365 WeakPolarHBondContact O-CA 3.1Å; Y358-S365 WeakPolarHBondContact O-CB 3.45Å
359R98.5Very high96.4Very high59 Ų5933.4 Ų33.422%0.22315%0.154CC..  trans-108.2126.7172.7-173.6178.9-71.3145.2-11.2109.5L12 K13 K14 R357 G363 D368L12-R359 PolarHBondContact O-N 3.32Å; K13-R359 PolarHBondContact O-NH1 3.25Å; K14-R359 HydrophobicContact CB-CB 4.48Å; K14-R359 HydrophobicContact CG-CB 4.18Å; K14-R359 WeakPolarHBondContact CG-O 3.21Å; K14-R359 PolarHBondContact NZ-O 3.34Å; R357-R359 PolarHBondContact O-N 3.07Å; R359-G363 VanDerWaalsContact CG-O 3.31Å; R359-G363 WeakPolarHBondContact CG-O 3.16Å; R359-D368 IonicContact CZ-OD1 3.4Å; R359-D368 IonicContact CZ-OD2 3.2Å; R359-D368 IonicContact NE-OD1 3.76Å; R359-D368 IonicContact NE-OD2 2.88Å; R359-D368 PolarHBondContact NE-OD2 3.35Å; R359-D368 IonicContact NH2-OD1 3.58Å; R359-D368 PolarHBondContact NH2-OD1 3.11Å; R359-D368 IonicContact NH2-OD2 2.68Å; R359-D368 PolarHBondContact NH2-OD2 3.48Å
360Y98.1Very high96.7Very high8 Ų833.2 Ų33.23%0.03115%0.153CC..  trans-58.6143.8171.2-79.7-84000110.7I268 A329 C332 R351 Y358 K362 G363 E364I268-Y360 HydrophobicContact CD1-CE1 4.42Å; A329-Y360 HydrophobicContact CB-CD1 4.21Å; A329-Y360 HydrophobicContact CB-CD2 4.32Å; A329-Y360 HydrophobicContact CB-CE1 4.2Å; A329-Y360 HydrophobicContact CB-CE2 4.32Å; A329-Y360 HydrophobicContact CB-CG 4.26Å; A329-Y360 WeakPolarHBondContact O-CB 3.17Å; A329-Y360 WeakPolarHBondContact O-CD1 3.34Å; C332-Y360 HydrophobicContact CB-CD1 3.84Å; C332-Y360 HydrophobicContact CB-CE1 3.82Å; R351-Y360 WeakPolarHBondContact CD-OH 3.46Å; R351-Y360 PolarHBondContact NE-OH 3.02Å; R351-Y360 PolarHBondContact NH2-OH 3.09Å; Y358-Y360 HydrophobicContact CD1-CD2 4.43Å; Y358-Y360 AromaticContact CE1-CD1 3.81Å; Y358-Y360 HydrophobicContact CE1-CD1 3.81Å; Y358-Y360 AromaticContact CE1-CD2 3.78Å; Y358-Y360 HydrophobicContact CE1-CD2 3.78Å; Y358-Y360 HydrophobicContact CE1-CE1 4.02Å; Y358-Y360 AromaticContact CE1-CE2 3.99Å; Y358-Y360 HydrophobicContact CE1-CE2 3.99Å; Y358-Y360 AromaticContact CE1-CG 3.69Å; Y358-Y360 HydrophobicContact CE1-CG 3.69Å; Y360-K362 PolarHBondContact O-N 3.01Å; Y360-K362 VanDerWaalsContact O-N 3.14Å; Y360-G363 PolarHBondContact O-N 2.82Å; Y360-E364 PolarHBondContact N-O 3.06Å
361P97.1Very high96.8Very high27 Ų2736.8 Ų36.818%0.17517%0.17CC..THydrogen-bonded Turntrans-58.7122174-18.528.9000110.4G330 V331 E347 G363G330-P361 WeakPolarHBondContact CA-O 3.47Å; V331-P361 HydrophobicContact CG1-CB 4.44Å; V331-P361 HydrophobicContact CG2-CB 3.77Å; V331-P361 HydrophobicContact CG2-CG 3.94Å; V331-P361 PolarHBondContact N-O 2.8Å; E347-P361 HydrophobicContact CG-CG 4.14Å; P361-G363 PolarHBondContact O-N 3.21Å
362K96.4Very high96.9Very high191 Ų19138 Ų3883%0.8317%0.174SC*.THydrogen-bonded Turntrans60.317.9-172.7-54.4179.4178.4176.30115.1V331 Y360V331-K362 HydrophobicContact CG1-CD 4.13Å; V331-K362 HydrophobicContact CG1-CG 4.44Å; Y360-K362 PolarHBondContact O-N 3.01Å; Y360-K362 VanDerWaalsContact O-N 3.14Å
363G97.9Very high97.1Very high15 Ų1538 Ų3816%0.15517%0.174CC..SBendtrans-124.8-153.7178.100000112.5D328 R359 Y360 P361D328-G363 CarbonylContact O-C 3.52Å; D328-G363 WeakPolarHBondContact O-CA 3.38Å; R359-G363 VanDerWaalsContact CG-O 3.31Å; R359-G363 WeakPolarHBondContact CG-O 3.16Å; Y360-G363 PolarHBondContact O-N 2.82Å; P361-G363 PolarHBondContact O-N 3.21Å
364E98.4Very high97.3Very high40 Ų4035.3 Ų35.319%0.18716%0.162CC..  trans-111163.2-174.5-71.8-179.2134.500112.5I327 D328 Y360 D368 R372I327-E364 WeakPolarHBondContact CA-OE2 3.11Å; I327-E364 HydrophobicContact CD1-CB 4.45Å; I327-E364 HydrophobicContact CG1-CB 3.72Å; D328-E364 HydrophobicContact CB-CB 4.35Å; D328-E364 HydrophobicContact CB-CG 3.95Å; D328-E364 PolarHBondContact N-OE2 3.34Å; D328-E364 PolarHBondContact O-N 3.3Å; Y360-E364 PolarHBondContact N-O 3.06Å; E364-D368 HydrophobicContact CB-CB 4.21Å; E364-D368 HydrophobicContact CG-CB 4.31Å; E364-R372 WeakPolarHBondContact OE1-CD 3.36Å; E364-R372 IonicContact OE1-CZ 3.57Å; E364-R372 IonicContact OE1-NE 2.76Å; E364-R372 PolarHBondContact OE1-NE 2.9Å; E364-R372 IonicContact OE1-NH2 3.93Å; E364-R372 IonicContact OE2-CZ 3.74Å; E364-R372 IonicContact OE2-NE 3.77Å; E364-R372 PolarHBondContact OE2-NE 3.46Å; E364-R372 IonicContact OE2-NH2 3.88Å; E364-R372 PolarHBondContact OE2-NH2 2.91Å
365S98.3Very high97.5Very high1 Ų136.8 Ų36.81%0.00717%0.173CC..  trans-109.9170.8163.662.40000110.6Y358 E367 D368 L369Y358-S365 VanDerWaalsContact O-CA 3.25Å; Y358-S365 WeakPolarHBondContact O-CA 3.1Å; Y358-S365 WeakPolarHBondContact O-CB 3.45Å; S365-E367 PolarHBondContact O-N 3.48Å; S365-E367 PolarHBondContact OG-N 3.25Å; S365-D368 WeakPolarHBondContact CB-OD2 3.47Å; S365-D368 PolarHBondContact N-OD2 3.35Å; S365-D368 PolarHBondContact O-N 3.17Å; S365-D368 PolarHBondContact OG-N 3.33Å; S365-D368 PolarHBondContact OG-OD2 3.48Å; S365-L369 PolarHBondContact O-N 3.28Å
366Y98.5Very high97.5Very high7 Ų736.6 Ų36.63%0.02717%0.172CC..Hα-helixtrans-66-28.9168.6-81.4-92.1000111.7I327 K355 Y356 L369 V370 A393 R396 L410 P411I327-Y366 HydrophobicContact CD1-CD2 4.23Å; I327-Y366 HydrophobicContact CD1-CE2 4.44Å; K355-Y366 HydrophobicContact CG-CE2 4.45Å; K355-Y366 WeakPolarHBondContact O-CD2 3.25Å; Y356-Y366 PolarHBondContact O-N 3.05Å; Y366-L369 HydrophobicContact CD1-CD2 4.28Å; Y366-L369 WeakPolarHBondContact O-CB 3.33Å; Y366-L369 PolarHBondContact O-N 3.26Å; Y366-V370 WeakPolarHBondContact O-CG2 3.48Å; Y366-V370 PolarHBondContact O-N 3.22Å; Y366-A393 HydrophobicContact CD1-CB 4.47Å; Y366-A393 HydrophobicContact CE1-CB 3.63Å; Y366-R396 HydrophobicContact CE1-CB 4.31Å; Y366-R396 PolarHBondContact OH-NH1 3.4Å; Y366-R396 VanDerWaalsContact OH-NH1 3.14Å; Y366-L410 HydrophobicContact CD1-CD2 3.25Å; Y366-L410 HydrophobicContact CE1-CD2 3.75Å; Y366-L410 HydrophobicContact CG-CD2 4.04Å; Y366-P411 HydrophobicContact CD1-CG 4.46Å; Y366-P411 HydrophobicContact CD2-CB 3.98Å; Y366-P411 HydrophobicContact CD2-CG 3.96Å; Y366-P411 HydrophobicContact CE1-CB 4.39Å; Y366-P411 HydrophobicContact CE2-CB 3.76Å; Y366-P411 HydrophobicContact CE2-CG 4.25Å; Y366-P411 HydrophobicContact CG-CB 4.41Å; Y366-P411 HydrophobicContact CG-CG 4.06Å
367E97.1Very high97.5Very high55 Ų5535.8 Ų35.826%0.25717%0.169SC..Hα-helixtrans-60.6-44171.9-172.6167.3-120.500110.9K13 Y356 S365 V370 Q371K13-E367 IonicContact NZ-OE1 3.41Å; K13-E367 PolarHBondContact NZ-OE1 2.9Å; K13-E367 IonicContact NZ-OE2 3.44Å; K13-E367 PolarHBondContact NZ-OE2 2.91Å; Y356-E367 HydrophobicContact CD1-CB 4.48Å; Y356-E367 HydrophobicContact CE1-CB 3.9Å; Y356-E367 HydrophobicContact CE1-CG 4.21Å; Y356-E367 PolarHBondContact O-N 2.86Å; S365-E367 PolarHBondContact O-N 3.48Å; S365-E367 PolarHBondContact OG-N 3.25Å; E367-V370 PolarHBondContact O-N 3.4Å; E367-Q371 WeakPolarHBondContact O-CG 3.29Å; E367-Q371 PolarHBondContact O-N 3.33Å
368D97.9Very high97.5Very high37 Ų3731.8 Ų31.820%0.19815%0.154CC..Hα-helixtrans-64.9-41.7174.1-60.3-49.5000111.9R359 E364 S365 V370 Q371 R372R359-D368 IonicContact CZ-OD1 3.4Å; R359-D368 IonicContact CZ-OD2 3.2Å; R359-D368 IonicContact NE-OD1 3.76Å; R359-D368 IonicContact NE-OD2 2.88Å; R359-D368 PolarHBondContact NE-OD2 3.35Å; R359-D368 IonicContact NH2-OD1 3.58Å; R359-D368 PolarHBondContact NH2-OD1 3.11Å; R359-D368 IonicContact NH2-OD2 2.68Å; R359-D368 PolarHBondContact NH2-OD2 3.48Å; E364-D368 HydrophobicContact CB-CB 4.21Å; E364-D368 HydrophobicContact CG-CB 4.31Å; S365-D368 WeakPolarHBondContact CB-OD2 3.47Å; S365-D368 PolarHBondContact N-OD2 3.35Å; S365-D368 PolarHBondContact O-N 3.17Å; S365-D368 PolarHBondContact OG-N 3.33Å; S365-D368 PolarHBondContact OG-OD2 3.48Å; D368-V370 VanDerWaalsContact C-N 3.33Å; D368-V370 PolarHBondContact O-N 2.78Å; D368-Q371 PolarHBondContact O-N 3.38Å; D368-R372 PolarHBondContact O-N 2.93Å
369L98.2Very high97.5Very high0 Ų033.7 Ų33.70%016%0.163CC..Hα-helixtrans-60.6-42.7179.9-175.655.7000112I327 S365 Y366 R372 L373 A393 V394 C397I327-L369 HydrophobicContact CB-CD2 4.34Å; S365-L369 PolarHBondContact O-N 3.28Å; Y366-L369 HydrophobicContact CD1-CD2 4.28Å; Y366-L369 WeakPolarHBondContact O-CB 3.33Å; Y366-L369 PolarHBondContact O-N 3.26Å; L369-R372 HydrophobicContact CD1-CG 4.2Å; L369-R372 VanDerWaalsContact CD1-NE 3.34Å; L369-R372 VanDerWaalsContact CD1-NH2 3.25Å; L369-R372 WeakPolarHBondContact O-CG 3.45Å; L369-R372 PolarHBondContact O-N 2.8Å; L369-L373 HydrophobicContact CD1-CD1 3.79Å; L369-L373 HydrophobicContact CD1-CG 4.05Å; L369-L373 HydrophobicContact CG-CD1 3.77Å; L369-L373 HydrophobicContact CG-CG 4.43Å; L369-L373 VanDerWaalsContact O-CB 3.3Å; L369-L373 WeakPolarHBondContact O-CB 3.38Å; L369-L373 VanDerWaalsContact O-CG 3.23Å; L369-L373 WeakPolarHBondContact O-CG 3.43Å; L369-L373 PolarHBondContact O-N 2.83Å; L369-A393 HydrophobicContact CD2-CB 3.72Å; L369-V394 HydrophobicContact CD1-CG2 4.11Å; L369-C397 HydrophobicContact CD2-CB 4.48Å; L369-C397 WeakPolarHBondContact CD2-SG 3.15Å; L369-C397 HydrophobicContact CG-CB 4.4Å; L369-C397 VanDerWaalsContact CG-SG 3.54Å
370V97.7Very high97.4Very high0 Ų030.9 Ų30.90%015%0.152CC..Hα-helixtrans-58.7-47.7174.31620000111W65 Y356 Y366 E367 D368 R372 L373 E374 L410W65-V370 HydrophobicContact CD2-CG1 4.09Å; W65-V370 HydrophobicContact CE3-CG1 4.06Å; W65-V370 HydrophobicContact CH2-CG1 4.13Å; W65-V370 VanDerWaalsContact CH2-O 3.27Å; W65-V370 WeakPolarHBondContact CH2-O 3.37Å; W65-V370 HydrophobicContact CZ2-CB 4.38Å; W65-V370 HydrophobicContact CZ2-CG1 4.18Å; W65-V370 HydrophobicContact CZ2-CG2 4.16Å; W65-V370 HydrophobicContact CZ3-CG1 4.06Å; W65-V370 WeakPolarHBondContact O-CG1 3.3Å; Y356-V370 HydrophobicContact CE2-CG2 4.26Å; Y366-V370 WeakPolarHBondContact O-CG2 3.48Å; Y366-V370 PolarHBondContact O-N 3.22Å; E367-V370 PolarHBondContact O-N 3.4Å; D368-V370 VanDerWaalsContact C-N 3.33Å; D368-V370 PolarHBondContact O-N 2.78Å; V370-R372 PolarHBondContact O-N 3.46Å; V370-L373 PolarHBondContact O-N 2.96Å; V370-E374 PolarHBondContact O-N 3.11Å; V370-L410 HydrophobicContact CG2-CD1 4.08Å
371Q95.2Very high97.2Very high88 Ų8830.5 Ų30.541%0.41115%0.151SC..Hα-helixtrans-60.8-44.3-179.7-64.6-64-40.200111.7I66 E367 D368 L373 E374I66-Q371 PolarHBondContact O-NE2 3.03Å; I66-Q371 VanDerWaalsContact O-NE2 3.09Å; E367-Q371 WeakPolarHBondContact O-CG 3.29Å; E367-Q371 PolarHBondContact O-N 3.33Å; D368-Q371 PolarHBondContact O-N 3.38Å; Q371-L373 VanDerWaalsContact C-N 3.34Å; Q371-L373 PolarHBondContact O-N 2.9Å; Q371-E374 WeakPolarHBondContact O-CB 3.37Å; Q371-E374 PolarHBondContact O-N 3.29Å
372R97.3Very high97Very high44 Ų4435 Ų3517%0.16616%0.164CC..Hα-helixtrans-74.3-21.4178.869.5163.9165.5108.3-18.8114.5V323 N325 E326 E364 D368 L369 V370 P375V323-R372 VanDerWaalsContact C-NH1 3.34Å; V323-R372 PolarHBondContact O-NH1 2.68Å; N325-R372 VanDerWaalsContact O-CZ 3.26Å; N325-R372 PolarHBondContact O-NH1 3.26Å; N325-R372 PolarHBondContact O-NH2 3.16Å; E326-R372 PolarHBondContact O-NH2 3.04Å; E364-R372 WeakPolarHBondContact OE1-CD 3.36Å; E364-R372 IonicContact OE1-CZ 3.57Å; E364-R372 IonicContact OE1-NE 2.76Å; E364-R372 PolarHBondContact OE1-NE 2.9Å; E364-R372 IonicContact OE1-NH2 3.93Å; E364-R372 IonicContact OE2-CZ 3.74Å; E364-R372 IonicContact OE2-NE 3.77Å; E364-R372 PolarHBondContact OE2-NE 3.46Å; E364-R372 IonicContact OE2-NH2 3.88Å; E364-R372 PolarHBondContact OE2-NH2 2.91Å; D368-R372 PolarHBondContact O-N 2.93Å; L369-R372 HydrophobicContact CD1-CG 4.2Å; L369-R372 VanDerWaalsContact CD1-NE 3.34Å; L369-R372 VanDerWaalsContact CD1-NH2 3.25Å; L369-R372 WeakPolarHBondContact O-CG 3.45Å; L369-R372 PolarHBondContact O-N 2.8Å; V370-R372 PolarHBondContact O-N 3.46Å; R372-P375 WeakPolarHBondContact O-CD 3.4Å
373L98.4Very high96.9Very high0 Ų026.7 Ų26.70%013%0.129CC..Hα-helixtrans-85.6-8177.6-74.9174000113.2W65 V323 L324 L369 V370 Q371 V376 I377 V394 C397 L398W65-L373 HydrophobicContact CH2-CB 3.85Å; W65-L373 HydrophobicContact CZ2-CB 4.31Å; V323-L373 WeakPolarHBondContact O-CD2 3.43Å; L324-L373 HydrophobicContact CD2-CD2 3.95Å; L369-L373 HydrophobicContact CD1-CD1 3.79Å; L369-L373 HydrophobicContact CD1-CG 4.05Å; L369-L373 HydrophobicContact CG-CD1 3.77Å; L369-L373 HydrophobicContact CG-CG 4.43Å; L369-L373 VanDerWaalsContact O-CB 3.3Å; L369-L373 WeakPolarHBondContact O-CB 3.38Å; L369-L373 VanDerWaalsContact O-CG 3.23Å; L369-L373 WeakPolarHBondContact O-CG 3.43Å; L369-L373 PolarHBondContact O-N 2.83Å; V370-L373 PolarHBondContact O-N 2.96Å; Q371-L373 VanDerWaalsContact C-N 3.34Å; Q371-L373 PolarHBondContact O-N 2.9Å; L373-V376 HydrophobicContact CD2-CB 4.36Å; L373-V376 HydrophobicContact CD2-CG2 3.98Å; L373-V376 WeakPolarHBondContact O-CA 3.38Å; L373-V376 WeakPolarHBondContact O-CB 3.28Å; L373-V376 PolarHBondContact O-N 3Å; L373-I377 PolarHBondContact O-N 3.14Å; L373-V394 HydrophobicContact CD1-CG1 4.12Å; L373-V394 HydrophobicContact CD2-CG1 3.98Å; L373-C397 HydrophobicContact CD1-CB 3.45Å; L373-C397 VanDerWaalsContact CD1-CB 3.45Å; L373-L398 HydrophobicContact CD1-CD2 4.36Å; L373-L398 HydrophobicContact CD2-CD2 4.4Å
374E96.6Very high96.6Very high22 Ų2230.5 Ų30.510%0.10314%0.142CC..Hα-helixtrans-52.4-46.9177.7-179.4-178.6-164.400113Y62 W65 I66 R237 V370 Q371 V376 I377 M378Y62-E374 HydrophobicContact CE2-CG 4.3Å; Y62-E374 PolarHBondContact OH-OE1 2.94Å; W65-E374 HydrophobicContact CZ3-CB 4.29Å; I66-E374 HydrophobicContact CG2-CG 4.3Å; R237-E374 IonicContact CZ-OE1 3.84Å; R237-E374 IonicContact CZ-OE2 3.76Å; R237-E374 IonicContact NH1-OE1 2.73Å; R237-E374 PolarHBondContact NH1-OE1 2.68Å; R237-E374 IonicContact NH1-OE2 3.06Å; R237-E374 PolarHBondContact NH1-OE2 3.19Å; V370-E374 PolarHBondContact O-N 3.11Å; Q371-E374 WeakPolarHBondContact O-CB 3.37Å; Q371-E374 PolarHBondContact O-N 3.29Å; E374-V376 VanDerWaalsContact C-N 3.25Å; E374-V376 PolarHBondContact O-N 2.91Å; E374-I377 PolarHBondContact O-N 3.33Å; E374-I377 VanDerWaalsContact O-N 3.09Å; E374-M378 WeakPolarHBondContact O-CG 3.35Å; E374-M378 PolarHBondContact O-N 3.42Å
375P97Very high96.5Very high67 Ų6730 Ų3044%0.43514%0.141SC..Hα-helixtrans-60.6-32.7176-23.635.3000113.7R372 M378 E379R372-P375 WeakPolarHBondContact O-CD 3.4Å; P375-M378 PolarHBondContact O-N 3.45Å; P375-E379 PolarHBondContact O-N 3.39Å
376V98.1Very high96.5Very high0 Ų029.9 Ų29.90%014%0.14CC..Hα-helixtrans-67.2-42.8175.4-178.20000110.1W300 W321 V323 L324 L373 E374 M378 E379 L380 L398W300-V376 HydrophobicContact CE3-CG1 4.35Å; W300-V376 HydrophobicContact CZ3-CG1 4.09Å; W321-V376 HydrophobicContact CE3-CG2 4.02Å; W321-V376 HydrophobicContact CZ3-CG2 4.36Å; V323-V376 HydrophobicContact CB-CG2 4.43Å; V323-V376 HydrophobicContact CG2-CG2 3.48Å; V323-V376 VanDerWaalsContact CG2-CG2 3.48Å; L324-V376 HydrophobicContact CD2-CG1 4.11Å; L324-V376 HydrophobicContact CD2-CG2 4.25Å; L324-V376 HydrophobicContact CG-CG2 4.23Å; L373-V376 HydrophobicContact CD2-CB 4.36Å; L373-V376 HydrophobicContact CD2-CG2 3.98Å; L373-V376 WeakPolarHBondContact O-CA 3.38Å; L373-V376 WeakPolarHBondContact O-CB 3.28Å; L373-V376 PolarHBondContact O-N 3Å; E374-V376 VanDerWaalsContact C-N 3.25Å; E374-V376 PolarHBondContact O-N 2.91Å; V376-M378 VanDerWaalsContact C-N 3.35Å; V376-E379 PolarHBondContact O-N 3.24Å; V376-L380 HydrophobicContact CG1-CD1 4.19Å; V376-L380 HydrophobicContact CG1-CG 4.36Å; V376-L380 WeakPolarHBondContact O-CB 3.26Å; V376-L380 WeakPolarHBondContact O-CG 3.46Å; V376-L380 PolarHBondContact O-N 2.82Å; V376-L398 HydrophobicContact CG1-CD2 4.15Å
377I97.2Very high96.5Very high0 Ų029.6 Ų29.60%014%0.139CC..Hα-helixtrans-62.8-42.2176.4-66.3-57.9000111.1W65 L373 E374 E379 L380 E381 L398 Y401 F402W65-I377 HydrophobicContact CE3-CG1 4.38Å; W65-I377 HydrophobicContact CH2-CD1 4.45Å; W65-I377 HydrophobicContact CH2-CG1 3.5Å; W65-I377 VanDerWaalsContact CH2-CG1 3.5Å; W65-I377 HydrophobicContact CZ2-CD1 4.45Å; W65-I377 HydrophobicContact CZ2-CG1 3.94Å; W65-I377 HydrophobicContact CZ3-CB 4.39Å; W65-I377 HydrophobicContact CZ3-CG1 3.75Å; L373-I377 PolarHBondContact O-N 3.14Å; E374-I377 PolarHBondContact O-N 3.33Å; E374-I377 VanDerWaalsContact O-N 3.09Å; I377-E379 VanDerWaalsContact C-N 3.32Å; I377-E379 PolarHBondContact O-N 2.74Å; I377-L380 HydrophobicContact CD1-CD1 4.37Å; I377-L380 PolarHBondContact O-N 3.2Å; I377-E381 WeakPolarHBondContact O-CB 3.32Å; I377-E381 WeakPolarHBondContact O-CG 3.46Å; I377-E381 PolarHBondContact O-N 3.39Å; I377-L398 HydrophobicContact CD1-CD2 3.59Å; I377-L398 HydrophobicContact CG1-CD2 4.35Å; I377-Y401 HydrophobicContact CD1-CD1 3.7Å; I377-Y401 HydrophobicContact CD1-CE1 4.4Å; I377-Y401 HydrophobicContact CD1-CG 3.77Å; I377-Y401 HydrophobicContact CG1-CD1 4.49Å; I377-Y401 HydrophobicContact CG1-CG 4.28Å; I377-Y401 HydrophobicContact CG2-CD1 3.9Å; I377-Y401 HydrophobicContact CG2-CD2 3.84Å; I377-Y401 HydrophobicContact CG2-CE1 3.62Å; I377-Y401 HydrophobicContact CG2-CE2 3.56Å; I377-Y401 HydrophobicContact CG2-CG 4Å; I377-Y401 VanDerWaalsContact CG2-CZ 3.44Å; I377-F402 HydrophobicContact CD1-CE2 4.43Å
378M96.4Very high96.6Very high2 Ų227 Ų271%0.0113%0.127CC..Hα-helixtrans-60.2-44.5176.6-61.9-61.3100.900111.3Y62 Y240 Y241 E374 P375 V376 E381 R382Y62-M378 HydrophobicContact CD2-CE 3.66Å; Y62-M378 HydrophobicContact CE2-CE 3.3Å; Y62-M378 HydrophobicContact CE2-SD 4.41Å; Y240-M378 HydrophobicContact CD1-CG 4.47Å; Y240-M378 HydrophobicContact CD1-SD 4.06Å; Y240-M378 HydrophobicContact CE1-CB 4.34Å; Y240-M378 HydrophobicContact CE1-CG 3.52Å; Y240-M378 HydrophobicContact CE1-SD 3.66Å; Y241-M378 HydrophobicContact CD2-CE 3.56Å; Y241-M378 HydrophobicContact CD2-SD 3.9Å; Y241-M378 HydrophobicContact CE2-CE 4Å; E374-M378 WeakPolarHBondContact O-CG 3.35Å; E374-M378 PolarHBondContact O-N 3.42Å; P375-M378 PolarHBondContact O-N 3.45Å; V376-M378 VanDerWaalsContact C-N 3.35Å; M378-E381 PolarHBondContact O-N 2.88Å; M378-R382 PolarHBondContact O-N 3.07Å
379E96.7Very high96.6Very high44 Ų4425.2 Ų25.221%0.20612%0.117CC..Hα-helixtrans-69.2-39.4178.9-165.262-161.400111.6W300 W321 P375 V376 I377 E381 R382 Q383W300-E379 HydrophobicContact CH2-CB 3.75Å; W300-E379 HydrophobicContact CH2-CG 3.45Å; W300-E379 VanDerWaalsContact CH2-CG 3.45Å; W300-E379 HydrophobicContact CZ2-CB 4.41Å; W300-E379 HydrophobicContact CZ2-CG 3.62Å; W300-E379 HydrophobicContact CZ3-CB 4.42Å; W300-E379 HydrophobicContact CZ3-CG 4.47Å; W321-E379 HydrophobicContact CH2-CB 4.02Å; W321-E379 HydrophobicContact CH2-CG 3.9Å; W321-E379 HydrophobicContact CZ2-CG 4.26Å; P375-E379 PolarHBondContact O-N 3.39Å; V376-E379 PolarHBondContact O-N 3.24Å; I377-E379 VanDerWaalsContact C-N 3.32Å; I377-E379 PolarHBondContact O-N 2.74Å; E379-E381 VanDerWaalsContact C-N 3.27Å; E379-E381 PolarHBondContact O-N 2.92Å; E379-R382 WeakPolarHBondContact O-CB 3.44Å; E379-R382 PolarHBondContact O-N 3.08Å; E379-R382 VanDerWaalsContact O-N 3.09Å; E379-R382 IonicContact OE1-CZ 2.71Å; E379-R382 VanDerWaalsContact OE1-CZ 3.24Å; E379-R382 IonicContact OE1-NE 3.82Å; E379-R382 PolarHBondContact OE1-NE 3.07Å; E379-R382 IonicContact OE1-NH2 2.77Å; E379-R382 PolarHBondContact OE1-NH2 2.88Å; E379-R382 IonicContact OE2-CZ 2.96Å; E379-R382 IonicContact OE2-NE 2.85Å; E379-R382 PolarHBondContact OE2-NE 3.09Å; E379-R382 VanDerWaalsContact OE2-NE 3.13Å; E379-R382 IonicContact OE2-NH2 3.27Å; E379-Q383 HydrophobicContact CG-CG 4.28Å; E379-Q383 VanDerWaalsContact O-CG 3.29Å; E379-Q383 WeakPolarHBondContact O-CG 3.49Å; E379-Q383 PolarHBondContact O-N 3.03Å; E379-Q383 PolarHBondContact OE1-NE2 3.4Å
380L96.1Very high96.7Very high0 Ų025.2 Ų25.20%012%0.117CC..Hα-helixtrans-62.5-32.7173.1-73.9175.9000113R250 I252 W300 V376 I377 R382 V386 V388 L398 F402R250-L380 PolarHBondContact NH2-O 3.35Å; I252-L380 HydrophobicContact CD1-CB 4.5Å; I252-L380 HydrophobicContact CG2-CD2 4.21Å; W300-L380 HydrophobicContact CE3-CD2 4.09Å; W300-L380 HydrophobicContact CH2-CD2 3.84Å; W300-L380 HydrophobicContact CH2-CG 4.17Å; W300-L380 HydrophobicContact CZ3-CD2 3.37Å; W300-L380 HydrophobicContact CZ3-CG 3.62Å; V376-L380 HydrophobicContact CG1-CD1 4.19Å; V376-L380 HydrophobicContact CG1-CG 4.36Å; V376-L380 WeakPolarHBondContact O-CB 3.26Å; V376-L380 WeakPolarHBondContact O-CG 3.46Å; V376-L380 PolarHBondContact O-N 2.82Å; I377-L380 HydrophobicContact CD1-CD1 4.37Å; I377-L380 PolarHBondContact O-N 3.2Å; L380-R382 PolarHBondContact O-N 3.26Å; L380-V386 HydrophobicContact CD2-CB 4.03Å; L380-V386 HydrophobicContact CD2-CG1 3.9Å; L380-V386 HydrophobicContact CD2-CG2 4.29Å; L380-V388 HydrophobicContact CD2-CG2 4.02Å; L380-L398 HydrophobicContact CD1-CD2 4.36Å; L380-F402 HydrophobicContact CB-CZ 4.07Å; L380-F402 HydrophobicContact CD1-CE2 3.8Å; L380-F402 HydrophobicContact CD1-CZ 3.85Å
381E94.2Very high96.7Very high1 Ų125.2 Ų25.21%0.00512%0.117CC..Hα-helixtrans-70.1-25.2175.6-80.2-69177.600112.6K58 R61 Y241 N244 I245 H246 R250 I377 M378 E379 Y401K58-E381 IonicContact NZ-OE1 3.71Å; K58-E381 IonicContact NZ-OE2 2.68Å; K58-E381 PolarHBondContact NZ-OE2 2.82Å; R61-E381 IonicContact NH2-OE1 3.49Å; Y241-E381 HydrophobicContact CE2-CG 4.18Å; N244-E381 CarbonylContact O-C 3.59Å; N244-E381 VanDerWaalsContact O-C 3.25Å; N244-E381 VanDerWaalsContact O-O 3.12Å; I245-E381 HydrophobicContact CG2-CB 4.13Å; I245-E381 HydrophobicContact CG2-CG 4.22Å; H246-E381 PolarHBondContact CD2-O 3.09Å; H246-E381 PolarHBondContact NE2-O 3.49Å; R250-E381 PolarHBondContact NH2-O 3.01Å; R250-E381 IonicContact NH2-OE2 3.6Å; R250-E381 PolarHBondContact NH2-OE2 2.79Å; I377-E381 WeakPolarHBondContact O-CB 3.32Å; I377-E381 WeakPolarHBondContact O-CG 3.46Å; I377-E381 PolarHBondContact O-N 3.39Å; M378-E381 PolarHBondContact O-N 2.88Å; E379-E381 VanDerWaalsContact C-N 3.27Å; E379-E381 PolarHBondContact O-N 2.92Å; E381-Y401 VanDerWaalsContact CD-OH 3.31Å; E381-Y401 HydrophobicContact CG-CE1 4.34Å; E381-Y401 WeakPolarHBondContact CG-OH 3.49Å; E381-Y401 WeakPolarHBondContact OE1-CE1 3.31Å; E381-Y401 PolarHBondContact OE1-OH 3.24Å
382R93.5Very high96.9Very high121 Ų12121.8 Ų21.846%0.45710%0.102SC..Hα-helixtrans-88.5-31.2179.1-165.4-174.977.285.8-10.4113.9N244 H246 M378 E379 L380N244-R382 VanDerWaalsContact O-CA 3.27Å; N244-R382 WeakPolarHBondContact O-CA 3.39Å; N244-R382 PolarHBondContact O-N 2.66Å; H246-R382 PolarHBondContact CD2-O 3.2Å; H246-R382 PolarHBondContact NE2-O 3.14Å; M378-R382 PolarHBondContact O-N 3.07Å; E379-R382 WeakPolarHBondContact O-CB 3.44Å; E379-R382 PolarHBondContact O-N 3.08Å; E379-R382 VanDerWaalsContact O-N 3.09Å; E379-R382 IonicContact OE1-CZ 2.71Å; E379-R382 VanDerWaalsContact OE1-CZ 3.24Å; E379-R382 IonicContact OE1-NE 3.82Å; E379-R382 PolarHBondContact OE1-NE 3.07Å; E379-R382 IonicContact OE1-NH2 2.77Å; E379-R382 PolarHBondContact OE1-NH2 2.88Å; E379-R382 IonicContact OE2-CZ 2.96Å; E379-R382 IonicContact OE2-NE 2.85Å; E379-R382 PolarHBondContact OE2-NE 3.09Å; E379-R382 VanDerWaalsContact OE2-NE 3.13Å; E379-R382 IonicContact OE2-NH2 3.27Å; L380-R382 PolarHBondContact O-N 3.26Å
383Q93.8Very high97Very high17 Ų1719.8 Ų19.88%0.0799%0.094CC..  trans-83.5155.2-177.2-67.6-51.9-35.600112.9H246 R250 K298 W300 E379 V386H246-Q383 PolarHBondContact NE2-O 3.22Å; H246-Q383 VanDerWaalsContact NE2-O 3.09Å; R250-Q383 WeakPolarHBondContact CD-O 3.24Å; R250-Q383 PolarHBondContact NE-O 3.26Å; K298-Q383 HydrophobicContact CD-CG 4.34Å; W300-Q383 HydrophobicContact CH2-CG 4.01Å; W300-Q383 HydrophobicContact CZ2-CG 3.76Å; E379-Q383 HydrophobicContact CG-CG 4.28Å; E379-Q383 VanDerWaalsContact O-CG 3.29Å; E379-Q383 WeakPolarHBondContact O-CG 3.49Å; E379-Q383 PolarHBondContact O-N 3.03Å; E379-Q383 PolarHBondContact OE1-NE2 3.4Å; Q383-V386 HydrophobicContact CB-CG2 3.32Å; Q383-V386 HydrophobicContact CG-CG2 3.88Å
384E92.7Very high97Very high94 Ų9419.8 Ų19.844%0.4399%0.094SC..SBendtrans-83.7-97.4168.5-61.7-170.416900111.6T248 R250T248-E384 PolarHBondContact OG1-OE1 3.21Å; R250-E384 HydrophobicContact CB-CB 4.23Å; R250-E384 WeakPolarHBondContact CB-O 3.41Å; R250-E384 WeakPolarHBondContact CD-O 3.4Å
385N96.1Very high97.1Very high29 Ų2918.8 Ų18.816%0.1559%0.09CC..SBendtrans-90.1115.5-174.4-59.1-47.5000111.1S251 I294 K295 L297 K298S251-N385 PolarHBondContact N-OD1 2.74Å; S251-N385 WeakPolarHBondContact O-CA 3.46Å; I294-N385 HydrophobicContact CG2-CB 3.51Å; K295-N385 PolarHBondContact O-ND2 2.95Å; L297-N385 HydrophobicContact CD1-CB 4.32Å; K298-N385 PolarHBondContact N-O 3.46Å
386V98Very high97.2Very high0 Ų015.7 Ų15.70%07%0.069CC..EExtended strand (participates in β ladder)trans-133.1134-178.3-172.60000110.9S251 I252 Y253 K298 W300 L380 Q383 V388S251-V386 PolarHBondContact O-N 3.36Å; I252-V386 CarbonylContact C-O 3.21Å; I252-V386 WeakPolarHBondContact CA-O 3.31Å; Y253-V386 PolarHBondContact N-O 3.42Å; K298-V386 HydrophobicContact CB-CG2 4.45Å; K298-V386 CarbonylContact O-C 3.59Å; K298-V386 WeakPolarHBondContact O-CA 3.39Å; W300-V386 HydrophobicContact CD2-CG1 3.71Å; W300-V386 HydrophobicContact CE3-CG1 3.85Å; W300-V386 HydrophobicContact CG-CG1 4.25Å; W300-V386 HydrophobicContact CH2-CG1 4.2Å; W300-V386 HydrophobicContact CH2-CG2 4.48Å; W300-V386 HydrophobicContact CZ2-CG1 4.12Å; W300-V386 HydrophobicContact CZ2-CG2 4.38Å; W300-V386 HydrophobicContact CZ3-CG1 4.12Å; L380-V386 HydrophobicContact CD2-CB 4.03Å; L380-V386 HydrophobicContact CD2-CG1 3.9Å; L380-V386 HydrophobicContact CD2-CG2 4.29Å; Q383-V386 HydrophobicContact CB-CG2 3.32Å; Q383-V386 HydrophobicContact CG-CG2 3.88Å; V386-V388 HydrophobicContact CG1-CG2 3.91Å
387L98.7Very high97.2Very high0 Ų015.7 Ų15.70%07%0.069CC..EExtended strand (participates in β ladder)trans-103.8122.4164.2170.464.4000109.4Y253 I289 L297 K298 V299 W300 L314 I389Y253-L387 CarbonylContact O-C 3.54Å; Y253-L387 WeakPolarHBondContact O-CA 3.31Å; I289-L387 HydrophobicContact CD1-CD2 3.99Å; I289-L387 HydrophobicContact CG1-CD2 4.03Å; L297-L387 HydrophobicContact CD1-CB 4.12Å; K298-L387 PolarHBondContact O-N 2.76Å; V299-L387 CarbonylContact C-O 3.5Å; V299-L387 WeakPolarHBondContact CA-O 3.08Å; V299-L387 HydrophobicContact CG1-CD2 4.28Å; V299-L387 HydrophobicContact CG2-CB 4.4Å; V299-L387 HydrophobicContact CG2-CD2 4.32Å; W300-L387 PolarHBondContact N-O 3Å; L314-L387 HydrophobicContact CD1-CD2 3.77Å; L387-I389 HydrophobicContact CD1-CG1 4.34Å; L387-I389 HydrophobicContact CD2-CD1 4.15Å; L387-I389 HydrophobicContact CD2-CG1 4.19Å; L387-I389 HydrophobicContact CG-CD1 4.5Å; L387-I389 HydrophobicContact CG-CG1 4.01Å
388V98.9Very high97.2Very high0 Ų015.7 Ų15.70%07%0.069CC..EExtended strand (participates in β ladder)trans-110114.4174.6-175.20000109.6Y253 L254 C255 W300 L324 L380 V386 C390 L398Y253-V388 PolarHBondContact O-N 3.31Å; L254-V388 HydrophobicContact CD2-CB 3.7Å; L254-V388 HydrophobicContact CD2-CG1 4.47Å; L254-V388 HydrophobicContact CD2-CG2 3.96Å; C255-V388 PolarHBondContact N-O 3.34Å; C255-V388 VanDerWaalsContact O-O 3.12Å; W300-V388 HydrophobicContact CE3-CG2 3.91Å; L324-V388 HydrophobicContact CD1-CG1 4Å; L324-V388 HydrophobicContact CD2-CG1 4.01Å; L380-V388 HydrophobicContact CD2-CG2 4.02Å; V386-V388 HydrophobicContact CG1-CG2 3.91Å; V388-C390 HydrophobicContact CG1-CB 4.11Å; V388-L398 HydrophobicContact CG1-CD1 4.1Å
389I98.9Very high97.3Very high0 Ų016 Ų160%07%0.071CC..EExtended strand (participates in β ladder)trans-100.8103.9174.8-51.7175.9000108.2C255 L285 V299 W300 T301 T307 T310 A311 L314 L387C255-I389 WeakPolarHBondContact O-CA 3.37Å; L285-I389 HydrophobicContact CD2-CD1 4.04Å; L285-I389 HydrophobicContact CD2-CG1 4.5Å; V299-I389 HydrophobicContact CG1-CD1 4.16Å; W300-I389 PolarHBondContact O-N 2.95Å; T301-I389 WeakPolarHBondContact CA-O 3.49Å; T301-I389 HydrophobicContact CG2-CB 4.39Å; T307-I389 WeakPolarHBondContact CB-O 3.27Å; T307-I389 HydrophobicContact CG2-CG2 4.25Å; T307-I389 VanDerWaalsContact CG2-O 3.31Å; T307-I389 WeakPolarHBondContact CG2-O 3.45Å; T310-I389 HydrophobicContact CG2-CD1 4.19Å; T310-I389 HydrophobicContact CG2-CG2 3.98Å; A311-I389 HydrophobicContact CB-CD1 3.92Å; L314-I389 HydrophobicContact CD1-CD1 4.15Å; L387-I389 HydrophobicContact CD1-CG1 4.34Å; L387-I389 HydrophobicContact CD2-CD1 4.15Å; L387-I389 HydrophobicContact CD2-CG1 4.19Å; L387-I389 HydrophobicContact CG-CD1 4.5Å; L387-I389 HydrophobicContact CG-CG1 4.01Å
390C98.8Very high97.4Very high0 Ų014 Ų140%06%0.062CC..EExtended strand (participates in β ladder)trans-133.3-145.5-171.562.70000112.2C255 R256 H257 L324 V388 V394C255-C390 PolarHBondContact O-N 3.43Å; R256-C390 CarbonylContact C-O 3.52Å; R256-C390 VanDerWaalsContact CA-O 3.31Å; R256-C390 WeakPolarHBondContact CA-O 3.42Å; H257-C390 PolarHBondContact CD2-O 2.68Å; H257-C390 PolarHBondContact N-O 2.7Å; L324-C390 HydrophobicContact CD2-CB 4.39Å; V388-C390 HydrophobicContact CG1-CB 4.11Å; C390-V394 HydrophobicContact CB-CB 4.2Å; C390-V394 HydrophobicContact CB-CG1 3.75Å
391H98.8Very high97.4Very high0 Ų014 Ų140%06%0.062CC..  trans-130.1177.4-172-50.6-92.3000111.4H257 S302 M304 R306 L324 E326 V394 M395H257-H391 AromaticContact CD2-CE1 3.87Å; H257-H391 AromaticContact CD2-ND1 3.22Å; H257-H391 PolarHBondContact CD2-ND1 3.22Å; H257-H391 AromaticContact NE2-ND1 3.53Å; S302-H391 VanDerWaalsContact CB-NE2 3.34Å; S302-H391 WeakPolarHBondContact CB-NE2 3.5Å; S302-H391 PolarHBondContact OG-NE2 2.87Å; M304-H391 PolarHBondContact SD-CE1 3.3Å; M304-H391 PolarHBondContact SD-NE2 2.84Å; M304-H391 VanDerWaalsContact SD-NE2 3.42Å; R306-H391 PolarHBondContact NE-CE1 2.95Å; R306-H391 PolarHBondContact NE-ND1 3.16Å; R306-H391 PolarHBondContact NH2-CE1 3.07Å; R306-H391 PolarHBondContact NH2-ND1 2.77Å; L324-H391 PolarHBondContact O-CD2 2.96Å; E326-H391 HydrophobicContact CB-CB 3.69Å; E326-H391 HydrophobicContact CG-CB 3.86Å; E326-H391 PolarHBondContact N-CD2 3.46Å; E326-H391 VanDerWaalsContact N-CD2 3.26Å; E326-H391 WeakPolarHBondContact OE1-CB 3.25Å; E326-H391 WeakPolarHBondContact OE2-CB 3.24Å; H391-V394 HydrophobicContact CB-CG2 4.43Å; H391-M395 WeakPolarHBondContact O-CB 3.43Å; H391-M395 PolarHBondContact O-N 2.97Å
392Q98.6Very high97.5Very high17 Ų1714 Ų148%0.0796%0.062CC..Hα-helixtrans-66.8-49.3-170.1-173.6170.6-96.800112.3E326 R396 T444E326-Q392 PolarHBondContact OE2-N 3.49Å; Q392-R396 VanDerWaalsContact O-CG 3.24Å; Q392-R396 WeakPolarHBondContact O-CG 3.49Å; Q392-R396 PolarHBondContact O-N 3.22Å; Q392-T444 PolarHBondContact NE2-O 3.27Å; Q392-T444 VanDerWaalsContact NE2-O 3.11Å; Q392-T444 PolarHBondContact OE1-O 3.31Å; Q392-T444 PolarHBondContact OE1-OG1 3.27Å; Q392-T444 VanDerWaalsContact OE1-OG1 3.06Å
393A98.6Very high97.6Very high2 Ų210.3 Ų10.32%0.0175%0.051CC..Hα-helixtrans-71.2-40.1-178.300000111.1E326 I327 Y366 L369 R396 C397E326-A393 WeakPolarHBondContact OE1-CB 3.42Å; E326-A393 PolarHBondContact OE1-N 2.89Å; E326-A393 VanDerWaalsContact OE1-N 3.09Å; E326-A393 PolarHBondContact OE2-N 2.9Å; I327-A393 HydrophobicContact CB-CB 3.83Å; I327-A393 HydrophobicContact CG2-CB 3.58Å; Y366-A393 HydrophobicContact CD1-CB 4.47Å; Y366-A393 HydrophobicContact CE1-CB 3.63Å; L369-A393 HydrophobicContact CD2-CB 3.72Å; A393-R396 WeakPolarHBondContact O-CB 3.39Å; A393-R396 PolarHBondContact O-N 3.31Å; A393-C397 PolarHBondContact O-N 3.13Å; A393-C397 VanDerWaalsContact O-N 3.1Å
394V98.8Very high97.7Very high0 Ų014.5 Ų14.50%07%0.074CC..Hα-helixtrans-58.2-51.5176177.40000111.2L324 N325 E326 L369 L373 C390 H391 R396 C397 L398L324-V394 HydrophobicContact CD2-CG1 3.68Å; N325-V394 WeakPolarHBondContact O-CG2 3.27Å; E326-V394 PolarHBondContact OE1-N 3.3Å; L369-V394 HydrophobicContact CD1-CG2 4.11Å; L373-V394 HydrophobicContact CD1-CG1 4.12Å; L373-V394 HydrophobicContact CD2-CG1 3.98Å; C390-V394 HydrophobicContact CB-CB 4.2Å; C390-V394 HydrophobicContact CB-CG1 3.75Å; H391-V394 HydrophobicContact CB-CG2 4.43Å; V394-R396 VanDerWaalsContact C-N 3.27Å; V394-R396 PolarHBondContact O-N 2.77Å; V394-C397 WeakPolarHBondContact O-CB 3.41Å; V394-C397 PolarHBondContact O-N 3.49Å; V394-C397 VanDerWaalsContact O-N 3.11Å; V394-L398 HydrophobicContact CG1-CD1 4.21Å; V394-L398 WeakPolarHBondContact O-CG 3.12Å; V394-L398 PolarHBondContact O-N 3.02Å
395M98.8Very high97.9Very high1 Ų114 Ų141%0.0057%0.07CC..Hα-helixtrans-61.2-36.9-179.7-171.4173.1172.200111.7L254 R256 H391 L398 L399 C415 L421L254-M395 HydrophobicContact CB-CE 3.88Å; L254-M395 HydrophobicContact CB-CG 4.33Å; L254-M395 WeakPolarHBondContact O-CE 3.1Å; R256-M395 HydrophobicContact CG-SD 3.84Å; H391-M395 WeakPolarHBondContact O-CB 3.43Å; H391-M395 PolarHBondContact O-N 2.97Å; M395-L398 PolarHBondContact O-N 3.35Å; M395-L399 WeakPolarHBondContact O-CB 3.4Å; M395-L399 PolarHBondContact O-N 3.21Å; M395-C415 HydrophobicContact CB-CB 4.31Å; M395-C415 HydrophobicContact CE-CB 4.3Å; M395-C415 HydrophobicContact CG-CB 4.08Å; M395-C415 HydrophobicContact SD-CB 3.75Å; M395-L421 HydrophobicContact CE-CB 4.07Å; M395-L421 HydrophobicContact CE-CD1 3.46Å; M395-L421 VanDerWaalsContact CE-CD1 3.46Å; M395-L421 HydrophobicContact CE-CG 3.53Å
396R98.7Very high97.8Very high2 Ų215.4 Ų15.41%0.0089%0.086CC..Hα-helixtrans-61.4-45.1173.7-73.8174.1166.8144.61112.2Y366 Q392 A393 V394 L399 A400 L410 P411 L413 H445Y366-R396 HydrophobicContact CE1-CB 4.31Å; Y366-R396 PolarHBondContact OH-NH1 3.4Å; Y366-R396 VanDerWaalsContact OH-NH1 3.14Å; Q392-R396 VanDerWaalsContact O-CG 3.24Å; Q392-R396 WeakPolarHBondContact O-CG 3.49Å; Q392-R396 PolarHBondContact O-N 3.22Å; A393-R396 WeakPolarHBondContact O-CB 3.39Å; A393-R396 PolarHBondContact O-N 3.31Å; V394-R396 VanDerWaalsContact C-N 3.27Å; V394-R396 PolarHBondContact O-N 2.77Å; R396-L399 PolarHBondContact O-N 3Å; R396-A400 WeakPolarHBondContact O-CB 3.28Å; R396-A400 PolarHBondContact O-N 3.21Å; R396-L410 HydrophobicContact CB-CD2 4.38Å; R396-P411 VanDerWaalsContact CZ-O 3.26Å; R396-P411 PolarHBondContact NE-O 2.91Å; R396-P411 PolarHBondContact NH1-O 2.73Å; R396-L413 HydrophobicContact CB-CB 4.48Å; R396-L413 HydrophobicContact CG-CB 4.06Å; R396-L413 PolarHBondContact NE-O 3.41Å; R396-L413 PolarHBondContact NH2-O 3.33Å; R396-H445 PolarHBondContact NH2-ND1 3.15Å; R396-H445 VanDerWaalsContact NH2-ND1 3.17Å
397C98.7Very high97.7Very high0 Ų017 Ų170%010%0.099CC..Hα-helixtrans-61.2-47177.5-730000112.1W65 L369 L373 A393 V394 A400 Y401W65-C397 HydrophobicContact CZ2-CB 4.4Å; W65-C397 PolarHBondContact NE1-O 3.02Å; L369-C397 HydrophobicContact CD2-CB 4.48Å; L369-C397 WeakPolarHBondContact CD2-SG 3.15Å; L369-C397 HydrophobicContact CG-CB 4.4Å; L369-C397 VanDerWaalsContact CG-SG 3.54Å; L373-C397 HydrophobicContact CD1-CB 3.45Å; L373-C397 VanDerWaalsContact CD1-CB 3.45Å; A393-C397 PolarHBondContact O-N 3.13Å; A393-C397 VanDerWaalsContact O-N 3.1Å; V394-C397 WeakPolarHBondContact O-CB 3.41Å; V394-C397 PolarHBondContact O-N 3.49Å; V394-C397 VanDerWaalsContact O-N 3.11Å; C397-A400 PolarHBondContact O-N 3.14Å; C397-Y401 PolarHBondContact O-N 3.15Å
398L98.4Very high97.4Very high0 Ų023 Ų230%013%0.127CC..Hα-helixtrans-62.3-45.6177.4-62.2178.3000111L254 L324 L373 V376 I377 L380 V388 V394 M395 A400 Y401 F402L254-L398 HydrophobicContact CD1-CB 4.08Å; L254-L398 HydrophobicContact CD2-CD1 4.21Å; L324-L398 HydrophobicContact CD2-CD1 4.3Å; L373-L398 HydrophobicContact CD1-CD2 4.36Å; L373-L398 HydrophobicContact CD2-CD2 4.4Å; V376-L398 HydrophobicContact CG1-CD2 4.15Å; I377-L398 HydrophobicContact CD1-CD2 3.59Å; I377-L398 HydrophobicContact CG1-CD2 4.35Å; L380-L398 HydrophobicContact CD1-CD2 4.36Å; V388-L398 HydrophobicContact CG1-CD1 4.1Å; V394-L398 HydrophobicContact CG1-CD1 4.21Å; V394-L398 WeakPolarHBondContact O-CG 3.12Å; V394-L398 PolarHBondContact O-N 3.02Å; M395-L398 PolarHBondContact O-N 3.35Å; L398-A400 VanDerWaalsContact C-N 3.34Å; L398-A400 PolarHBondContact O-N 2.78Å; L398-Y401 WeakPolarHBondContact O-CB 3.39Å; L398-Y401 PolarHBondContact O-N 2.92Å; L398-F402 WeakPolarHBondContact O-CD2 3.17Å; L398-F402 PolarHBondContact O-N 2.71Å
399L97.7Very high97.3Very high8 Ų828 Ų284%0.04215%0.15CC..Hα-helixtrans-64.2-39.2179.3-168.765.7000111.7M395 R396 Y401 F402 L403 L413 L421 L423M395-L399 WeakPolarHBondContact O-CB 3.4Å; M395-L399 PolarHBondContact O-N 3.21Å; R396-L399 PolarHBondContact O-N 3Å; L399-Y401 VanDerWaalsContact C-N 3.28Å; L399-Y401 PolarHBondContact O-N 3.06Å; L399-F402 PolarHBondContact O-N 3.27Å; L399-L403 HydrophobicContact CD1-CD1 3.64Å; L399-L403 HydrophobicContact CD1-CD2 4.44Å; L399-L403 HydrophobicContact CD1-CG 3.82Å; L399-L403 HydrophobicContact CD2-CD1 4.14Å; L399-L403 HydrophobicContact CG-CD1 3.62Å; L399-L403 HydrophobicContact CG-CG 3.99Å; L399-L403 WeakPolarHBondContact O-CB 3.5Å; L399-L403 VanDerWaalsContact O-CG 3.3Å; L399-L403 WeakPolarHBondContact O-CG 3.39Å; L399-L403 PolarHBondContact O-N 2.85Å; L399-L413 HydrophobicContact CB-CD1 4.27Å; L399-L413 HydrophobicContact CD2-CB 4.4Å; L399-L413 HydrophobicContact CD2-CD1 4.37Å; L399-L413 HydrophobicContact CG-CD1 4.39Å; L399-L421 HydrophobicContact CD1-CD1 3.94Å; L399-L421 HydrophobicContact CD2-CD1 3.79Å; L399-L423 HydrophobicContact CD1-CD1 4.42Å; L399-L423 HydrophobicContact CD1-CD2 3.92Å
400A97.8Very high97.2Very high1 Ų128.1 Ų28.11%0.00815%0.151CC..Hα-helixtrans-61.8-35.8176.500000112.7R396 C397 L398 D404 K405 L410 L413R396-A400 WeakPolarHBondContact O-CB 3.28Å; R396-A400 PolarHBondContact O-N 3.21Å; C397-A400 PolarHBondContact O-N 3.14Å; L398-A400 VanDerWaalsContact C-N 3.34Å; L398-A400 PolarHBondContact O-N 2.78Å; A400-D404 WeakPolarHBondContact O-CA 3.31Å; A400-D404 PolarHBondContact O-N 2.9Å; A400-K405 HydrophobicContact CB-CB 3.99Å; A400-K405 PolarHBondContact O-N 3.4Å; A400-L410 HydrophobicContact CB-CB 3.85Å; A400-L410 HydrophobicContact CB-CD1 3.54Å; A400-L410 HydrophobicContact CB-CG 3.49Å; A400-L410 VanDerWaalsContact CB-CG 3.49Å; A400-L413 HydrophobicContact CB-CD1 3.8Å
401Y97.3Very high97.2Very high0 Ų028.1 Ų28.10%015%0.151CC..Hα-helixtrans-61.4-54.4172.4172.4-99.4000111.2R61 Y62 W65 Y241 I377 E381 C397 L398 L399 L403 D404R61-Y401 WeakPolarHBondContact CD-O 3.41Å; R61-Y401 WeakPolarHBondContact CG-O 3.31Å; R61-Y401 PolarHBondContact NE-O 3.26Å; Y62-Y401 HydrophobicContact CD2-CE2 4.45Å; W65-Y401 HydrophobicContact CB-CD2 4.04Å; W65-Y401 HydrophobicContact CD2-CD2 4.02Å; W65-Y401 HydrophobicContact CD2-CG 4.48Å; W65-Y401 HydrophobicContact CE3-CD2 4.32Å; W65-Y401 AromaticContact CG-CD2 3.89Å; W65-Y401 HydrophobicContact CG-CD2 3.89Å; W65-Y401 HydrophobicContact CG-CG 4.44Å; Y241-Y401 PolarHBondContact OH-OH 3.23Å; I377-Y401 HydrophobicContact CD1-CD1 3.7Å; I377-Y401 HydrophobicContact CD1-CE1 4.4Å; I377-Y401 HydrophobicContact CD1-CG 3.77Å; I377-Y401 HydrophobicContact CG1-CD1 4.49Å; I377-Y401 HydrophobicContact CG1-CG 4.28Å; I377-Y401 HydrophobicContact CG2-CD1 3.9Å; I377-Y401 HydrophobicContact CG2-CD2 3.84Å; I377-Y401 HydrophobicContact CG2-CE1 3.62Å; I377-Y401 HydrophobicContact CG2-CE2 3.56Å; I377-Y401 HydrophobicContact CG2-CG 4Å; I377-Y401 VanDerWaalsContact CG2-CZ 3.44Å; E381-Y401 VanDerWaalsContact CD-OH 3.31Å; E381-Y401 HydrophobicContact CG-CE1 4.34Å; E381-Y401 WeakPolarHBondContact CG-OH 3.49Å; E381-Y401 WeakPolarHBondContact OE1-CE1 3.31Å; E381-Y401 PolarHBondContact OE1-OH 3.24Å; C397-Y401 PolarHBondContact O-N 3.15Å; L398-Y401 WeakPolarHBondContact O-CB 3.39Å; L398-Y401 PolarHBondContact O-N 2.92Å; L399-Y401 VanDerWaalsContact C-N 3.28Å; L399-Y401 PolarHBondContact O-N 3.06Å; Y401-L403 VanDerWaalsContact C-N 3.33Å; Y401-L403 PolarHBondContact O-N 2.73Å; Y401-D404 PolarHBondContact O-N 3.12Å
402F95.7Very high97.1Very high2 Ų229.9 Ų29.91%0.00916%0.158CC..Hα-helixtrans-68.5-31.9-175-71.3-69.7000113.4R61 I252 I377 L380 L398 L399 L423 C430R61-F402 PolarHBondContact NH1-O 3.21Å; I252-F402 HydrophobicContact CD1-CE1 3.59Å; I252-F402 HydrophobicContact CD1-CE2 4.31Å; I252-F402 HydrophobicContact CD1-CZ 3.47Å; I252-F402 VanDerWaalsContact CD1-CZ 3.47Å; I377-F402 HydrophobicContact CD1-CE2 4.43Å; L380-F402 HydrophobicContact CB-CZ 4.07Å; L380-F402 HydrophobicContact CD1-CE2 3.8Å; L380-F402 HydrophobicContact CD1-CZ 3.85Å; L398-F402 WeakPolarHBondContact O-CD2 3.17Å; L398-F402 PolarHBondContact O-N 2.71Å; L399-F402 PolarHBondContact O-N 3.27Å; F402-L423 HydrophobicContact CB-CD1 3.93Å; F402-L423 HydrophobicContact CD2-CD1 3.51Å; F402-L423 HydrophobicContact CE2-CD1 4.22Å; F402-L423 HydrophobicContact CG-CD1 3.77Å; F402-C430 HydrophobicContact CB-CB 4.31Å; F402-C430 WeakPolarHBondContact O-CB 3.32Å
403L95.8Very high97.1Very high44 Ų4430.2 Ų30.223%0.2316%0.16CC..THydrogen-bonded Turntrans-96.46.7-177.7-54-168.4000114.5L399 Y401 K405 C430 V432L399-L403 HydrophobicContact CD1-CD1 3.64Å; L399-L403 HydrophobicContact CD1-CD2 4.44Å; L399-L403 HydrophobicContact CD1-CG 3.82Å; L399-L403 HydrophobicContact CD2-CD1 4.14Å; L399-L403 HydrophobicContact CG-CD1 3.62Å; L399-L403 HydrophobicContact CG-CG 3.99Å; L399-L403 WeakPolarHBondContact O-CB 3.5Å; L399-L403 VanDerWaalsContact O-CG 3.3Å; L399-L403 WeakPolarHBondContact O-CG 3.39Å; L399-L403 PolarHBondContact O-N 2.85Å; Y401-L403 VanDerWaalsContact C-N 3.33Å; Y401-L403 PolarHBondContact O-N 2.73Å; L403-K405 VanDerWaalsContact C-N 3.33Å; L403-K405 HydrophobicContact CB-CD 4.45Å; L403-K405 HydrophobicContact CB-CG 3.86Å; L403-K405 PolarHBondContact O-N 2.73Å; L403-C430 HydrophobicContact CD2-CB 4.15Å; L403-V432 HydrophobicContact CD1-CG2 4.04Å; L403-V432 HydrophobicContact CD2-CG2 3.19Å; L403-V432 HydrophobicContact CG-CG2 4.2Å
404D95.6Very high97Very high105 Ų10536.9 Ų36.956%0.56119%0.189SC*.THydrogen-bonded Turntrans52.250.2178.8-163.931.3000112R61 A400 Y401R61-D404 HydrophobicContact CG-CB 4.1Å; A400-D404 WeakPolarHBondContact O-CA 3.31Å; A400-D404 PolarHBondContact O-N 2.9Å; Y401-D404 PolarHBondContact O-N 3.12Å
405K96.6Very high97Very high84 Ų8437 Ų3737%0.36519%0.189SC..  trans-94.9134.8-177.9-59.7-64.8179.8-168.50110.8A400 L403 L413A400-K405 HydrophobicContact CB-CB 3.99Å; A400-K405 PolarHBondContact O-N 3.4Å; L403-K405 VanDerWaalsContact C-N 3.33Å; L403-K405 HydrophobicContact CB-CD 4.45Å; L403-K405 HydrophobicContact CB-CG 3.86Å; L403-K405 PolarHBondContact O-N 2.73Å; K405-L413 HydrophobicContact CB-CD1 4.29Å; K405-L413 HydrophobicContact CD-CD2 4.42Å; K405-L413 HydrophobicContact CG-CD1 4.16Å; K405-L413 HydrophobicContact CG-CD2 3.98Å
406A95.5Very high96.9Very high58 Ų5839.7 Ų39.748%0.47921%0.207SC..  trans-63.1153.1178.200000112.1E408 Q409 L410A406-E408 PolarHBondContact O-N 2.85Å; A406-E408 VanDerWaalsContact O-N 3.12Å; A406-Q409 PolarHBondContact O-N 2.81Å; A406-L410 PolarHBondContact O-N 3.27Å; A406-L410 VanDerWaalsContact O-N 3.08Å
407A94.5Very high96.9Very high33 Ų3340 Ų4027%0.27321%0.209SC..THydrogen-bonded Turntrans-51.7-36.4179.100000113.3Y356 Q409 P411Y356-A407 WeakPolarHBondContact CB-O 3.46Å; Y356-A407 HydrophobicContact CD1-CB 3.79Å; Y356-A407 HydrophobicContact CD2-CB 4.04Å; Y356-A407 WeakPolarHBondContact CD2-O 3.46Å; Y356-A407 HydrophobicContact CE1-CB 3.73Å; Y356-A407 HydrophobicContact CE2-CB 3.98Å; Y356-A407 HydrophobicContact CG-CB 3.96Å; A407-Q409 VanDerWaalsContact C-N 3.33Å; A407-Q409 PolarHBondContact O-N 2.77Å; A407-P411 WeakPolarHBondContact O-CD 3.32Å
408E93.7Very high96.9Very high125 Ų12540 Ų4058%0.58421%0.209SC*.THydrogen-bonded Turntrans-70-27.8179-61.2179.7-173.600113.7A406 Y412A406-E408 PolarHBondContact O-N 2.85Å; A406-E408 VanDerWaalsContact O-N 3.12Å; E408-Y412 WeakPolarHBondContact O-CD2 3.37Å
409Q96.1Very high96.9Very high106 Ų10640.5 Ų40.550%0.49521%0.212SC..THydrogen-bonded Turntrans-88.3-30.1-179.8-64.9179.8-20.200111.9A406 A407 Y412 L413A406-Q409 PolarHBondContact O-N 2.81Å; A407-Q409 VanDerWaalsContact C-N 3.33Å; A407-Q409 PolarHBondContact O-N 2.77Å; Q409-Y412 PolarHBondContact O-N 3.4Å; Q409-L413 PolarHBondContact O-N 3.23Å
410L97.6Very high97Very high3 Ų340.1 Ų40.12%0.01621%0.21CC..G310 helixtrans-51.1-49.8-173.6177.7170.7000113.2Y356 Y366 V370 R396 A400 A406 Y412 L413Y356-L410 HydrophobicContact CE2-CD1 4.13Å; Y366-L410 HydrophobicContact CD1-CD2 3.25Å; Y366-L410 HydrophobicContact CE1-CD2 3.75Å; Y366-L410 HydrophobicContact CG-CD2 4.04Å; V370-L410 HydrophobicContact CG2-CD1 4.08Å; R396-L410 HydrophobicContact CB-CD2 4.38Å; A400-L410 HydrophobicContact CB-CB 3.85Å; A400-L410 HydrophobicContact CB-CD1 3.54Å; A400-L410 HydrophobicContact CB-CG 3.49Å; A400-L410 VanDerWaalsContact CB-CG 3.49Å; A406-L410 PolarHBondContact O-N 3.27Å; A406-L410 VanDerWaalsContact O-N 3.08Å; L410-Y412 PolarHBondContact O-N 3Å; L410-L413 PolarHBondContact O-N 3.45Å
411P98.2Very high97Very high0 Ų040.6 Ų40.60%021%0.212CC..G310 helixtrans-65.4-6.2-179-24.235.3000115.6K355 Y356 Y366 R396 A407K355-P411 HydrophobicContact CB-CB 4.04Å; K355-P411 HydrophobicContact CB-CG 4.33Å; K355-P411 HydrophobicContact CD-CB 3.68Å; K355-P411 HydrophobicContact CG-CB 3.76Å; K355-P411 HydrophobicContact CG-CG 4.45Å; K355-P411 PolarHBondContact NZ-O 3.13Å; Y356-P411 HydrophobicContact CD2-CG 4.32Å; Y366-P411 HydrophobicContact CD1-CG 4.46Å; Y366-P411 HydrophobicContact CD2-CB 3.98Å; Y366-P411 HydrophobicContact CD2-CG 3.96Å; Y366-P411 HydrophobicContact CE1-CB 4.39Å; Y366-P411 HydrophobicContact CE2-CB 3.76Å; Y366-P411 HydrophobicContact CE2-CG 4.25Å; Y366-P411 HydrophobicContact CG-CB 4.41Å; Y366-P411 HydrophobicContact CG-CG 4.06Å; R396-P411 VanDerWaalsContact CZ-O 3.26Å; R396-P411 PolarHBondContact NE-O 2.91Å; R396-P411 PolarHBondContact NH1-O 2.73Å; A407-P411 WeakPolarHBondContact O-CD 3.32Å
412Y97.7Very high97.1Very high36 Ų3642.4 Ų42.414%0.14122%0.22CC..G310 helixtrans-120.88-176.2-54.6-79.2000112.7K355 E408 Q409 L410 H445 R448K355-Y412 HydrophobicContact CB-CE2 4.26Å; K355-Y412 WeakPolarHBondContact CB-OH 3.41Å; K355-Y412 HydrophobicContact CD-CD1 4.29Å; K355-Y412 HydrophobicContact CD-CE1 3.54Å; K355-Y412 HydrophobicContact CD-CE2 4.21Å; E408-Y412 WeakPolarHBondContact O-CD2 3.37Å; Q409-Y412 PolarHBondContact O-N 3.4Å; L410-Y412 PolarHBondContact O-N 3Å; Y412-H445 PolarHBondContact O-CE1 3.12Å; Y412-H445 VanDerWaalsContact O-CE1 3.32Å; Y412-R448 HydrophobicContact CD1-CB 3.76Å; Y412-R448 VanDerWaalsContact CE1-CA 3.48Å; Y412-R448 HydrophobicContact CE1-CB 3.55Å; Y412-R448 HydrophobicContact CE1-CG 3.91Å; Y412-R448 HydrophobicContact CE2-CB 4.38Å; Y412-R448 HydrophobicContact CE2-CG 4.21Å; Y412-R448 HydrophobicContact CG-CB 4.26Å
413L97.9Very high97.1Very high25 Ų2542.3 Ų42.313%0.13122%0.22CC..  trans-61.8143170.7-64.4174.3000110.4R396 L399 A400 K405 Q409 L410R396-L413 HydrophobicContact CB-CB 4.48Å; R396-L413 HydrophobicContact CG-CB 4.06Å; R396-L413 PolarHBondContact NE-O 3.41Å; R396-L413 PolarHBondContact NH2-O 3.33Å; L399-L413 HydrophobicContact CB-CD1 4.27Å; L399-L413 HydrophobicContact CD2-CB 4.4Å; L399-L413 HydrophobicContact CD2-CD1 4.37Å; L399-L413 HydrophobicContact CG-CD1 4.39Å; A400-L413 HydrophobicContact CB-CD1 3.8Å; K405-L413 HydrophobicContact CB-CD1 4.29Å; K405-L413 HydrophobicContact CD-CD2 4.42Å; K405-L413 HydrophobicContact CG-CD1 4.16Å; K405-L413 HydrophobicContact CG-CD2 3.98Å; Q409-L413 PolarHBondContact O-N 3.23Å; L410-L413 PolarHBondContact O-N 3.45Å
414K96.9Very high97Very high142 Ų14242 Ų4262%0.61722%0.219SC*.  trans-85.5115.1-179.2-69.8-174.6177.8-172.30109.6
415C97.8Very high96.6Very high2 Ų238 Ų381%0.01420%0.199CC..  trans-13172.8177.6-58.50000108.3R256 M395R256-C415 WeakPolarHBondContact CD-O 3.41Å; R256-C415 PolarHBondContact NH1-O 2.91Å; M395-C415 HydrophobicContact CB-CB 4.31Å; M395-C415 HydrophobicContact CE-CB 4.3Å; M395-C415 HydrophobicContact CG-CB 4.08Å; M395-C415 HydrophobicContact SD-CB 3.75Å
416P97.8Very high95.8Very high57 Ų5736.8 Ų36.837%0.3720%0.199SC..  trans-64.5157.1-175.526.6-32.8000111.7T419P416-T419 HydrophobicContact CG-CG2 4.25Å
417L98.4Very high94.5Very high9 Ų935.3 Ų35.35%0.04719%0.186CC..THydrogen-bonded Turntrans-64157.3169-76.1169.7000110.3R256 H257 E259 N263 T419 A441 V442 T444R256-L417 HydrophobicContact CB-CD2 4.13Å; H257-L417 WeakPolarHBondContact O-CD2 3.46Å; E259-L417 HydrophobicContact CB-CD1 4.23Å; E259-L417 HydrophobicContact CG-CD1 4.37Å; N263-L417 HydrophobicContact CB-CD1 4.43Å; L417-T419 PolarHBondContact O-N 3.32Å; L417-T419 PolarHBondContact O-OG1 3.31Å; L417-T419 VanDerWaalsContact O-OG1 3.13Å; L417-A441 HydrophobicContact CB-CB 3.59Å; L417-A441 HydrophobicContact CD1-CB 3.93Å; L417-A441 HydrophobicContact CG-CB 4.41Å; L417-V442 HydrophobicContact CD1-CG2 4.25Å; L417-T444 HydrophobicContact CD1-CG2 4.47Å
418H98.6Very high93.7Very high1 Ų138.9 Ų38.91%0.00519%0.194CC..THydrogen-bonded Turntrans57.624172.1-57177.4000115.8E259 F281 F436 L437 V439 A440E259-H418 PolarHBondContact N-NE2 3.06Å; F281-H418 HydrophobicContact CB-CB 4.43Å; F281-H418 WeakPolarHBondContact CB-CD2 3.36Å; F281-H418 WeakPolarHBondContact CB-NE2 3.4Å; F281-H418 AromaticContact CD1-CD2 3.79Å; F281-H418 VanDerWaalsContact CD2-CA 3.41Å; F281-H418 HydrophobicContact CD2-CB 3.61Å; F281-H418 AromaticContact CD2-CD2 3.75Å; F281-H418 AromaticContact CD2-CG 3.76Å; F281-H418 HydrophobicContact CE2-CB 4.13Å; F281-H418 HydrophobicContact CG-CB 4.13Å; F281-H418 AromaticContact CG-CD2 3.32Å; F281-H418 WeakPolarHBondContact CG-CD2 3.43Å; F281-H418 AromaticContact CG-CG 3.74Å; F281-H418 AromaticContact CG-NE2 3.91Å; H418-F436 HydrophobicContact CB-CE2 4.14Å; H418-F436 WeakPolarHBondContact O-CD2 3.45Å; H418-L437 PolarHBondContact O-N 3.31Å; H418-V439 WeakPolarHBondContact CB-O 3.42Å; H418-V439 WeakPolarHBondContact ND1-CG1 3.44Å; H418-V439 PolarHBondContact ND1-O 2.88Å; H418-A440 PolarHBondContact CE1-O 3.05Å; H418-A440 VanDerWaalsContact CE1-O 3.22Å; H418-A440 PolarHBondContact ND1-O 3.45Å; H418-A440 VanDerWaalsContact ND1-O 3.16Å
419T98.8Very high93.2Very high9 Ų933.9 Ų33.96%0.05518%0.176CC..EExtended strand (participates in β ladder)trans-126.1131.3-179.4-53.90000109.2P416 L417 L421 S434 I435P416-T419 HydrophobicContact CG-CG2 4.25Å; L417-T419 PolarHBondContact O-N 3.32Å; L417-T419 PolarHBondContact O-OG1 3.31Å; L417-T419 VanDerWaalsContact O-OG1 3.13Å; T419-L421 HydrophobicContact CG2-CD2 4.42Å; T419-S434 VanDerWaalsContact CG2-OG 3.27Å; T419-S434 WeakPolarHBondContact CG2-OG 3.19Å; T419-I435 CarbonylContact C-O 3.56Å; T419-I435 WeakPolarHBondContact CA-O 3.27Å
420V98.6Very high93Very high0 Ų029.9 Ų29.90%016%0.159CC..EExtended strand (participates in β ladder)trans-94.8128.1172.7-178.30000108.4Y253 C255 L285 F288 I435 L437Y253-V420 HydrophobicContact CD1-CG1 3.92Å; C255-V420 HydrophobicContact CB-CG2 4.21Å; L285-V420 HydrophobicContact CD1-CG2 3.57Å; F288-V420 HydrophobicContact CD1-CG2 4.3Å; F288-V420 HydrophobicContact CE1-CB 4.33Å; F288-V420 HydrophobicContact CE1-CG1 4Å; F288-V420 HydrophobicContact CE1-CG2 4.27Å; V420-I435 PolarHBondContact N-O 3.15Å; V420-I435 WeakPolarHBondContact O-CD1 3.27Å; V420-I435 PolarHBondContact O-N 3.23Å; V420-L437 HydrophobicContact CG2-CD1 3.98Å; V420-L437 HydrophobicContact CG2-CD2 4.35Å; V420-L437 HydrophobicContact CG2-CG 4.22Å
421L98.5Very high92.8Very high11 Ų1136.3 Ų36.36%0.05819%0.187CC..EExtended strand (participates in β ladder)trans-97.7113166.7-60.5-172000108.6Y253 L254 M395 L399 T419 V432 E433Y253-L421 WeakPolarHBondContact CA-O 3.36Å; L254-L421 HydrophobicContact CB-CB 4.48Å; L254-L421 PolarHBondContact N-O 3.34Å; L254-L421 PolarHBondContact O-N 3.21Å; M395-L421 HydrophobicContact CE-CB 4.07Å; M395-L421 HydrophobicContact CE-CD1 3.46Å; M395-L421 VanDerWaalsContact CE-CD1 3.46Å; M395-L421 HydrophobicContact CE-CG 3.53Å; L399-L421 HydrophobicContact CD1-CD1 3.94Å; L399-L421 HydrophobicContact CD2-CD1 3.79Å; T419-L421 HydrophobicContact CG2-CD2 4.42Å; L421-V432 HydrophobicContact CB-CG1 4.46Å; L421-V432 HydrophobicContact CD2-CG1 4.38Å; L421-E433 CarbonylContact C-O 3.57Å; L421-E433 WeakPolarHBondContact CA-O 3.41Å
422K98Very high92.7Very high39 Ų3939.3 Ų39.317%0.1721%0.205CC..EExtended strand (participates in β ladder)trans-89.9119.1171.6178.3-174.8175.5-168.30108.7Y253 V432 E433 I435Y253-K422 HydrophobicContact CD1-CB 4.02Å; Y253-K422 HydrophobicContact CD1-CG 4.11Å; Y253-K422 HydrophobicContact CE1-CB 4Å; Y253-K422 HydrophobicContact CE1-CD 3.84Å; Y253-K422 HydrophobicContact CE1-CG 3.69Å; K422-V432 WeakPolarHBondContact O-CA 3.22Å; K422-E433 HydrophobicContact CB-CB 4.27Å; K422-E433 PolarHBondContact N-O 3.24Å; K422-E433 IonicContact NZ-OE1 3.93Å; K422-E433 PolarHBondContact O-N 2.68Å; K422-I435 HydrophobicContact CB-CD1 3.95Å
423L97.1Very high92.7Very high0 Ų042.2 Ų42.20%022%0.22CC..EExtended strand (participates in β ladder)trans-104.1123.4179.1-59.5-174.8000108.9S251 I252 L254 L399 F402 C430 K431 V432S251-L423 WeakPolarHBondContact CA-O 3.49Å; I252-L423 HydrophobicContact CB-CB 4.13Å; I252-L423 HydrophobicContact CG2-CD1 4.49Å; I252-L423 PolarHBondContact N-O 2.79Å; I252-L423 WeakPolarHBondContact O-CA 3.45Å; I252-L423 WeakPolarHBondContact O-CB 3.36Å; I252-L423 PolarHBondContact O-N 3.13Å; L254-L423 HydrophobicContact CD1-CD1 3.57Å; L254-L423 HydrophobicContact CD1-CG 4.48Å; L254-L423 HydrophobicContact CG-CD1 3.95Å; L399-L423 HydrophobicContact CD1-CD1 4.42Å; L399-L423 HydrophobicContact CD1-CD2 3.92Å; F402-L423 HydrophobicContact CB-CD1 3.93Å; F402-L423 HydrophobicContact CD2-CD1 3.51Å; F402-L423 HydrophobicContact CE2-CD1 4.22Å; F402-L423 HydrophobicContact CG-CD1 3.77Å; L423-C430 VanDerWaalsContact CB-SG 3.6Å; L423-K431 WeakPolarHBondContact CA-O 3.43Å; L423-V432 HydrophobicContact CD2-CB 4.24Å; L423-V432 HydrophobicContact CD2-CG1 3.95Å; L423-V432 HydrophobicContact CD2-CG2 3.69Å
424T93.4Very high92.7Very high36 Ų3645.1 Ų45.122%0.22124%0.243CC..EExtended strand (participates in β ladder)trans-116.9100.2172.3-54.20000108.3V426 K431T424-V426 PolarHBondContact O-N 3.24Å; T424-K431 PolarHBondContact N-O 3.04Å; T424-K431 PolarHBondContact O-N 2.91Å
425P86Confident92.8Very high22 Ų2240.6 Ų40.614%0.14323%0.225CC..EExtended strand (participates in β ladder)trans-55.5131.8175.1-2434.4000110.7R250 I252R250-P425 HydrophobicContact CG-CG 4.44Å; R250-P425 WeakPolarHBondContact O-CD 3.36Å; I252-P425 HydrophobicContact CD1-CG 4.44Å
426V79.7Confident92.8Very high58 Ų5845.9 Ų45.935%0.35225%0.248SC..EExtended strand (participates in β ladder)trans-126.6167.6175.6-66.70000109.3T424 Y428 G429 K431T424-V426 PolarHBondContact O-N 3.24Å; V426-Y428 PolarHBondContact O-N 3.47Å; V426-G429 PolarHBondContact N-O 2.81Å; V426-G429 PolarHBondContact O-N 3.42Å; V426-G429 VanDerWaalsContact O-N 3.12Å; V426-K431 HydrophobicContact CG1-CD 4.16Å; V426-K431 HydrophobicContact CG1-CG 4.07Å
427A69.9Low92.8Very high27 Ų2744.2 Ų44.222%0.22324%0.235CC..THydrogen-bonded Turntrans-49.3-31.9-17100000115.2Y54 V172Y54-A427 VanDerWaalsContact CD2-O 3.28Å; Y54-A427 WeakPolarHBondContact CD2-O 3.33Å; V172-A427 HydrophobicContact CG2-CB 3.54Å
428Y76Confident92.7Very high109 Ų10950.4 Ų50.443%0.42727%0.269SS..THydrogen-bonded Turntrans-124.916.9-176.1-56.6-49.8000114.4T53 K57 V172 V426T53-Y428 HydrophobicContact CG2-CE1 3.75Å; K57-Y428 HydrophobicContact CD-CD1 3.62Å; K57-Y428 HydrophobicContact CD-CE1 4.26Å; K57-Y428 HydrophobicContact CD-CG 4.38Å; V172-Y428 HydrophobicContact CG1-CE1 4.04Å; V172-Y428 HydrophobicContact CG1-CE2 3.6Å; V172-Y428 WeakPolarHBondContact CG1-OH 3.26Å; V426-Y428 PolarHBondContact O-N 3.47Å
429G84.6Confident92.7Very high20 Ų2050.5 Ų50.521%0.20627%0.269CS..EExtended strand (participates in β ladder)trans169.7-144.2-177.400000112.8V426V426-G429 PolarHBondContact N-O 2.81Å; V426-G429 PolarHBondContact O-N 3.42Å; V426-G429 VanDerWaalsContact O-N 3.12Å
430C90.7Very high92.6Very high22 Ų2252.9 Ų52.915%0.14929%0.29CS..EExtended strand (participates in β ladder)trans-147.5128.7179.2-168.80000109F402 L403 L423F402-C430 HydrophobicContact CB-CB 4.31Å; F402-C430 WeakPolarHBondContact O-CB 3.32Å; L403-C430 HydrophobicContact CD2-CB 4.15Å; L423-C430 VanDerWaalsContact CB-SG 3.6Å
431K93.6Very high92.6Very high137 Ų13754.4 Ų54.460%0.59630%0.302SS*.EExtended strand (participates in β ladder)trans-77.2139168.8-66.9-179.4177.3179.60108.4L423 T424 V426L423-K431 WeakPolarHBondContact CA-O 3.43Å; T424-K431 PolarHBondContact N-O 3.04Å; T424-K431 PolarHBondContact O-N 2.91Å; V426-K431 HydrophobicContact CG1-CD 4.16Å; V426-K431 HydrophobicContact CG1-CG 4.07Å
432V96.4Very high92.5Very high64 Ų6454.3 Ų54.339%0.38830%0.302SS..EExtended strand (participates in β ladder)trans-122.7123179-170.80000109L403 L421 K422 L423L403-V432 HydrophobicContact CD1-CG2 4.04Å; L403-V432 HydrophobicContact CD2-CG2 3.19Å; L403-V432 HydrophobicContact CG-CG2 4.2Å; L421-V432 HydrophobicContact CB-CG1 4.46Å; L421-V432 HydrophobicContact CD2-CG1 4.38Å; K422-V432 WeakPolarHBondContact O-CA 3.22Å; L423-V432 HydrophobicContact CD2-CB 4.24Å; L423-V432 HydrophobicContact CD2-CG1 3.95Å; L423-V432 HydrophobicContact CD2-CG2 3.69Å
433E97.6Very high92.4Very high97 Ų9757 Ų5745%0.45332%0.318SS..EExtended strand (participates in β ladder)trans-111.1132.7169.1-57.4174.6-108.900108L421 K422 I435L421-E433 CarbonylContact C-O 3.57Å; L421-E433 WeakPolarHBondContact CA-O 3.41Å; K422-E433 HydrophobicContact CB-CB 4.27Å; K422-E433 PolarHBondContact N-O 3.24Å; K422-E433 IonicContact NZ-OE1 3.93Å; K422-E433 PolarHBondContact O-N 2.68Å; E433-I435 HydrophobicContact CB-CD1 4.13Å
434S97.9Very high92.4Very high86 Ų8658.2 Ų58.260%0.60133%0.326SS*.EExtended strand (participates in β ladder)trans-108.5117.4179.7178.90000109.5T419T419-S434 VanDerWaalsContact CG2-OG 3.27Å; T419-S434 WeakPolarHBondContact CG2-OG 3.19Å
435I98.4Very high92.5Very high47 Ų4757.4 Ų57.424%0.24132%0.32CS..EExtended strand (participates in β ladder)trans-118.3104.9-175.6-50.991.8000109.1F288 T419 V420 K422 E433 L437F288-I435 HydrophobicContact CD2-CG2 4.35Å; F288-I435 HydrophobicContact CE2-CB 4.42Å; F288-I435 HydrophobicContact CE2-CG1 4.42Å; F288-I435 HydrophobicContact CE2-CG2 3.9Å; F288-I435 HydrophobicContact CZ-CD1 4.41Å; F288-I435 HydrophobicContact CZ-CG1 4.44Å; T419-I435 CarbonylContact C-O 3.56Å; T419-I435 WeakPolarHBondContact CA-O 3.27Å; V420-I435 PolarHBondContact N-O 3.15Å; V420-I435 WeakPolarHBondContact O-CD1 3.27Å; V420-I435 PolarHBondContact O-N 3.23Å; K422-I435 HydrophobicContact CB-CD1 3.95Å; E433-I435 HydrophobicContact CB-CD1 4.13Å; I435-L437 HydrophobicContact CG2-CD2 3.92Å
436F98.3Very high92.9Very high113 Ų11356.5 Ų56.550%0.49631%0.313SS..EExtended strand (participates in β ladder)trans-80.7124.9173.2175.2-120.4000109.8H418 N438 V439H418-F436 HydrophobicContact CB-CE2 4.14Å; H418-F436 WeakPolarHBondContact O-CD2 3.45Å; F436-N438 PolarHBondContact O-N 3.15Å; F436-V439 VanDerWaalsContact CE2-O 3.3Å; F436-V439 WeakPolarHBondContact CE2-O 3.13Å; F436-V439 WeakPolarHBondContact CZ-O 3.28Å
437L98.1Very high93.6Very high21 Ų2157.7 Ų57.711%0.1132%0.318CS..  trans-86.923.8-173-56.4-167.6000114F281 L285 F288 H418 V420 I435 V439F281-L437 HydrophobicContact CD2-CB 4.3Å; F281-L437 HydrophobicContact CD2-CD1 4.06Å; F281-L437 HydrophobicContact CE2-CB 4.4Å; F281-L437 HydrophobicContact CE2-CD1 3.6Å; F281-L437 HydrophobicContact CE2-CG 4.12Å; L285-L437 HydrophobicContact CB-CD1 3.93Å; L285-L437 HydrophobicContact CD1-CD1 3.93Å; F288-L437 HydrophobicContact CB-CD1 4.23Å; F288-L437 HydrophobicContact CB-CD2 4.01Å; F288-L437 HydrophobicContact CD2-CD2 3.98Å; F288-L437 HydrophobicContact CG-CD2 3.9Å; H418-L437 PolarHBondContact O-N 3.31Å; V420-L437 HydrophobicContact CG2-CD1 3.98Å; V420-L437 HydrophobicContact CG2-CD2 4.35Å; V420-L437 HydrophobicContact CG2-CG 4.22Å; I435-L437 HydrophobicContact CG2-CD2 3.92Å; L437-V439 VanDerWaalsContact C-N 3.27Å; L437-V439 PolarHBondContact O-N 3.21Å
438N97.4Very high94.6Very high140 Ų14063.1 Ų63.175%0.74933%0.333SS*.SBendtrans56.133.2175.1-159.538.7000115.4F436F436-N438 PolarHBondContact O-N 3.15Å
439V97.9Very high95.3Very high2 Ų258.4 Ų58.41%0.01232%0.315CS..  trans-119.5121.3172.8-176.50000108.6R277 E280 F281 H418 F436 L437R277-V439 HydrophobicContact CB-CG1 4.24Å; R277-V439 WeakPolarHBondContact O-CG1 3.46Å; E280-V439 HydrophobicContact CB-CG1 4Å; E280-V439 HydrophobicContact CB-CG2 4.46Å; E280-V439 HydrophobicContact CG-CG1 4.07Å; E280-V439 HydrophobicContact CG-CG2 3.88Å; F281-V439 HydrophobicContact CB-CB 4.33Å; F281-V439 HydrophobicContact CB-CG1 4.31Å; F281-V439 HydrophobicContact CB-CG2 4.49Å; H418-V439 WeakPolarHBondContact CB-O 3.42Å; H418-V439 WeakPolarHBondContact ND1-CG1 3.44Å; H418-V439 PolarHBondContact ND1-O 2.88Å; F436-V439 VanDerWaalsContact CE2-O 3.3Å; F436-V439 WeakPolarHBondContact CE2-O 3.13Å; F436-V439 WeakPolarHBondContact CZ-O 3.28Å; L437-V439 VanDerWaalsContact C-N 3.27Å; L437-V439 PolarHBondContact O-N 3.21Å
440A97.4Very high95.4Very high59 Ų5967.2 Ų67.249%0.48835%0.351SS..  trans-62150.1179.900000112.1R277 H418R277-A440 VanDerWaalsContact CD-O 3.31Å; R277-A440 WeakPolarHBondContact CD-O 3.48Å; R277-A440 PolarHBondContact NE-O 2.75Å; H418-A440 PolarHBondContact CE1-O 3.05Å; H418-A440 VanDerWaalsContact CE1-O 3.22Å; H418-A440 PolarHBondContact ND1-O 3.45Å; H418-A440 VanDerWaalsContact ND1-O 3.16Å
441A97.4Very high95.2Very high32 Ų3268.7 Ų68.726%0.26436%0.357SS..  trans-153.3159.8173.900000110.4E259 L417E259-A441 HydrophobicContact CB-CB 4.36Å; E259-A441 VanDerWaalsContact OE1-CA 3.28Å; E259-A441 WeakPolarHBondContact OE1-CA 3.34Å; L417-A441 HydrophobicContact CB-CB 3.59Å; L417-A441 HydrophobicContact CD1-CB 3.93Å; L417-A441 HydrophobicContact CG-CB 4.41Å
442V96.9Very high94.7Very high9 Ų964.2 Ų64.26%0.05534%0.341CS..  trans-62.9152.3169.4-65.70000111.3E259 N263 L264 L417 T444 Q469E259-V442 WeakPolarHBondContact OE1-CG2 3.34Å; E259-V442 PolarHBondContact OE1-N 2.74Å; N263-V442 HydrophobicContact CB-CG2 3.82Å; N263-V442 WeakPolarHBondContact O-CG2 3.4Å; L264-V442 HydrophobicContact CD2-CG1 4.09Å; L417-V442 HydrophobicContact CD1-CG2 4.25Å; V442-T444 HydrophobicContact CG2-CG2 4.19Å; V442-Q469 HydrophobicContact CG1-CB 4.38Å
443N96.2Very high93.9Very high95 Ų9565 Ų6551%0.50834%0.343SS..  trans-83.7128.4169.9-176.418.3000110H445 P466N443-H445 VanDerWaalsContact OD1-CB 3.26Å; N443-H445 WeakPolarHBondContact OD1-CB 3.41Å; N443-H445 PolarHBondContact OD1-N 3.29Å; N443-P466 HydrophobicContact CB-CB 4.27Å; N443-P466 VanDerWaalsContact O-CB 3.25Å; N443-P466 WeakPolarHBondContact O-CB 3.17Å
444T96.1Very high92.9Very high26 Ų2664.4 Ų64.416%0.1634%0.342CS..  trans-115.46176.846.10000112.3R256 N263 Q392 L417 V442 R446R256-T444 PolarHBondContact NH1-OG1 2.93Å; R256-T444 PolarHBondContact NH2-OG1 3.12Å; N263-T444 HydrophobicContact CB-CG2 4.45Å; Q392-T444 PolarHBondContact NE2-O 3.27Å; Q392-T444 VanDerWaalsContact NE2-O 3.11Å; Q392-T444 PolarHBondContact OE1-O 3.31Å; Q392-T444 PolarHBondContact OE1-OG1 3.27Å; Q392-T444 VanDerWaalsContact OE1-OG1 3.06Å; L417-T444 HydrophobicContact CD1-CG2 4.47Å; V442-T444 HydrophobicContact CG2-CG2 4.19Å; T444-R446 PolarHBondContact O-N 2.82Å
445H96.1Very high92.1Very high20 Ų2065.1 Ų65.19%0.09335%0.347CS..  trans-86.3110.4-179.9-173.187.1000111.5R396 Y412 N443 D447 P466R396-H445 PolarHBondContact NH2-ND1 3.15Å; R396-H445 VanDerWaalsContact NH2-ND1 3.17Å; Y412-H445 PolarHBondContact O-CE1 3.12Å; Y412-H445 VanDerWaalsContact O-CE1 3.32Å; N443-H445 VanDerWaalsContact OD1-CB 3.26Å; N443-H445 WeakPolarHBondContact OD1-CB 3.41Å; N443-H445 PolarHBondContact OD1-N 3.29Å; H445-D447 IonicContact CD2-OD1 3.44Å; H445-D447 PolarHBondContact CD2-OD1 3.47Å; H445-D447 IonicContact NE2-OD1 2.78Å; H445-D447 PolarHBondContact NE2-OD1 2.87Å; H445-P466 WeakPolarHBondContact O-CG 3.37Å
446R94.3Very high91.5Very high2 Ų263.6 Ų63.61%0.00834%0.339CS..PPolyproline II helixtrans-93.8117.2168.7173.4156-171.3-77.45.5110.8F348 D352 T444 A461 T464F348-R446 VanDerWaalsContact CE1-NH2 3.33Å; D352-R446 IonicContact OD1-CZ 3.13Å; D352-R446 IonicContact OD1-NH1 3.46Å; D352-R446 PolarHBondContact OD1-NH1 3.26Å; D352-R446 IonicContact OD1-NH2 3.05Å; D352-R446 PolarHBondContact OD1-NH2 3.46Å; D352-R446 IonicContact OD2-CZ 3.94Å; D352-R446 IonicContact OD2-NH1 2.83Å; D352-R446 PolarHBondContact OD2-NH1 2.97Å; D352-R446 IonicContact OD2-NH2 2.68Å; D352-R446 PolarHBondContact OD2-NH2 3.06Å; T444-R446 PolarHBondContact O-N 2.82Å; R446-A461 PolarHBondContact NH2-O 3.4Å; R446-T464 WeakPolarHBondContact CA-O 3.31Å; R446-T464 VanDerWaalsContact CG-O 3.24Å; R446-T464 WeakPolarHBondContact CG-O 3.38Å; R446-T464 PolarHBondContact NE-OG1 3.43Å; R446-T464 PolarHBondContact NH2-OG1 3.39Å; R446-T464 VanDerWaalsContact NH2-OG1 3.13Å
447D93.4Very high90.8Very high84 Ų8461.3 Ų61.345%0.44934%0.335SS..PPolyproline II helixtrans-63.6164.5176.5-74.7-50.9000111.7H445 P449 T464H445-D447 IonicContact CD2-OD1 3.44Å; H445-D447 PolarHBondContact CD2-OD1 3.47Å; H445-D447 IonicContact NE2-OD1 2.78Å; H445-D447 PolarHBondContact NE2-OD1 2.87Å; D447-P449 WeakPolarHBondContact O-CD 3.33Å; D447-T464 HydrophobicContact CB-CG2 4.48Å
448R91.3Very high90Very high141 Ų14163.2 Ų63.253%0.53235%0.349SS..PPolyproline II helixtrans-70.5119.9174.4-174.4173.1-176.8174.62.1109.2Y412Y412-R448 HydrophobicContact CD1-CB 3.76Å; Y412-R448 VanDerWaalsContact CE1-CA 3.48Å; Y412-R448 HydrophobicContact CE1-CB 3.55Å; Y412-R448 HydrophobicContact CE1-CG 3.91Å; Y412-R448 HydrophobicContact CE2-CB 4.38Å; Y412-R448 HydrophobicContact CE2-CG 4.21Å; Y412-R448 HydrophobicContact CG-CB 4.26Å
449P90.5Very high89.5Confident9 Ų963.1 Ų63.16%0.05834%0.344CS..PPolyproline II helixtrans-65.2144.4175.824.7-31000111D352 D447 V452 T464D352-P449 HydrophobicContact CB-CG 3.88Å; D352-P449 WeakPolarHBondContact OD2-CG 3.42Å; D447-P449 WeakPolarHBondContact O-CD 3.33Å; P449-V452 HydrophobicContact CG-CG1 3.99Å; P449-T464 HydrophobicContact CB-CG2 4.09Å
450Q87.6Confident89Confident205 Ų20566.9 Ų66.996%0.95836%0.361SS*.SBendtrans-73.8-46.4178.5-67-174.7-2.200111.3
451N85.8Confident88.3Confident54 Ų5464.1 Ų64.129%0.28934%0.338SS..  trans-96.1124.9173.6-175.8-0.4000109.5D453 R456 E460N451-D453 WeakPolarHBondContact OD1-CB 3.43Å; N451-D453 PolarHBondContact OD1-N 3.41Å; N451-R456 WeakPolarHBondContact ND2-CB 3.36Å; N451-R456 WeakPolarHBondContact O-CD 3.47Å; N451-R456 PolarHBondContact O-NH1 3.36Å; N451-E460 WeakPolarHBondContact CB-OE1 3.35Å; N451-E460 VanDerWaalsContact ND2-CD 3.29Å; N451-E460 PolarHBondContact ND2-OE1 3.37Å; N451-E460 PolarHBondContact ND2-OE2 3.03Å
452V84.3Confident87.9Confident43 Ų4364.6 Ų64.626%0.26134%0.336SS..  trans-119.813.5179.7-61.10000112.3D352 Q353 P449D352-V452 HydrophobicContact CB-CB 4.38Å; D352-V452 HydrophobicContact CB-CG1 4.09Å; D352-V452 WeakPolarHBondContact O-CG1 3.38Å; Q353-V452 HydrophobicContact CG-CB 3.89Å; Q353-V452 HydrophobicContact CG-CG2 3.92Å; Q353-V452 WeakPolarHBondContact CG-O 3.44Å; Q353-V452 PolarHBondContact NE2-O 3.04Å; P449-V452 HydrophobicContact CG-CG1 3.99Å
453D79.9Confident87.7Confident80 Ų8069.7 Ų69.743%0.42837%0.367SS..  trans-65.2143178-160.6-70000110.9N451 S455 R456N451-D453 WeakPolarHBondContact OD1-CB 3.43Å; N451-D453 PolarHBondContact OD1-N 3.41Å; D453-S455 PolarHBondContact O-N 3.06Å; D453-S455 WeakPolarHBondContact OD1-CB 3.13Å; D453-S455 PolarHBondContact OD1-N 3.27Å; D453-S455 PolarHBondContact OD1-OG 3.13Å; D453-R456 VanDerWaalsContact O-CD 3.32Å; D453-R456 WeakPolarHBondContact O-CD 3.34Å; D453-R456 WeakPolarHBondContact O-CG 3.4Å; D453-R456 PolarHBondContact O-N 3.19Å
454I75.6Confident87.4Confident84 Ų8466.4 Ų66.443%0.43135%0.351SS..THydrogen-bonded Turntrans-67.9-26.9178.2-67.2157.3000111.2L346 A349 L350 R456L346-I454 HydrophobicContact CD1-CD1 3.91Å; L346-I454 HydrophobicContact CD1-CG1 4.22Å; L346-I454 HydrophobicContact CD1-CG2 3.85Å; A349-I454 HydrophobicContact CB-CB 4.12Å; A349-I454 HydrophobicContact CB-CG1 3.66Å; A349-I454 HydrophobicContact CB-CG2 4.4Å; L350-I454 HydrophobicContact CD2-CD1 4.43Å; I454-R456 VanDerWaalsContact C-N 3.34Å
455S80.6Confident87Confident101 Ų10166 Ų6671%0.70635%0.348SS*.THydrogen-bonded Turntrans-85.6-118067.10000114.3D453D453-S455 PolarHBondContact O-N 3.06Å; D453-S455 WeakPolarHBondContact OD1-CB 3.13Å; D453-S455 PolarHBondContact OD1-N 3.27Å; D453-S455 PolarHBondContact OD1-OG 3.13Å
456R85.7Confident86.6Confident15 Ų1566 Ų666%0.05735%0.349CS..SBendtrans-64.5144.4178.777.8-167.5167.2174.30.5111D352 N451 D453 I454 A461D352-R456 IonicContact OD2-CZ 2.75Å; D352-R456 VanDerWaalsContact OD2-CZ 3.28Å; D352-R456 IonicContact OD2-NH1 3.38Å; D352-R456 PolarHBondContact OD2-NH1 3.25Å; D352-R456 IonicContact OD2-NH2 3.69Å; D352-R456 PolarHBondContact OD2-NH2 3.04Å; N451-R456 WeakPolarHBondContact ND2-CB 3.36Å; N451-R456 WeakPolarHBondContact O-CD 3.47Å; N451-R456 PolarHBondContact O-NH1 3.36Å; D453-R456 VanDerWaalsContact O-CD 3.32Å; D453-R456 WeakPolarHBondContact O-CD 3.34Å; D453-R456 WeakPolarHBondContact O-CG 3.4Å; D453-R456 PolarHBondContact O-N 3.19Å; I454-R456 VanDerWaalsContact C-N 3.34Å; R456-A461 HydrophobicContact CG-CB 4.34Å
457P84Confident86Confident66 Ų6670 Ų7043%0.42938%0.383SS..  trans-58.1148.1177.1-23.533.8000112.8E459 E460 A461P457-E459 VanDerWaalsContact CB-OE2 3.29Å; P457-E459 WeakPolarHBondContact CB-OE2 3.48Å; P457-E459 PolarHBondContact O-N 2.89Å; P457-E460 WeakPolarHBondContact CD-OE2 3.47Å; P457-E460 WeakPolarHBondContact O-CB 3.21Å; P457-E460 PolarHBondContact O-N 3.06Å; P457-E460 VanDerWaalsContact O-N 3.1Å; P457-A461 PolarHBondContact O-N 3.32Å; P457-A461 VanDerWaalsContact O-N 3.16Å
458P81.9Confident85.1Confident61 Ų6169.3 Ų69.340%0.39638%0.377SS..Hα-helixtrans-54.8-37.5177.7-26.535.3000113.6Q341 E460 A461 L462Q341-P458 HydrophobicContact CG-CB 4.26Å; P458-E460 VanDerWaalsContact C-N 3.31Å; P458-E460 PolarHBondContact O-N 2.94Å; P458-A461 WeakPolarHBondContact O-CB 3.22Å; P458-A461 PolarHBondContact O-N 2.73Å; P458-L462 WeakPolarHBondContact O-CG 3.46Å; P458-L462 PolarHBondContact O-N 3.02Å; P458-L462 VanDerWaalsContact O-N 3.08Å
459E86Confident83.5Confident138 Ų13872 Ų7265%0.64540%0.396SS*.Hα-helixtrans-61.4-42179.3-55.680.8-175.200110.9P457 L462 V463P457-E459 VanDerWaalsContact CB-OE2 3.29Å; P457-E459 WeakPolarHBondContact CB-OE2 3.48Å; P457-E459 PolarHBondContact O-N 2.89Å; E459-L462 PolarHBondContact O-N 3.11Å; E459-V463 WeakPolarHBondContact O-CG2 3.43Å; E459-V463 PolarHBondContact O-N 3.23Å
460E87.6Confident83.1Confident81 Ų8175.2 Ų75.238%0.37941%0.413SS..Hα-helixtrans-66.5-38.9177.8-168.1-178.9173.600111.7N451 P457 P458 L462 V463N451-E460 WeakPolarHBondContact CB-OE1 3.35Å; N451-E460 VanDerWaalsContact ND2-CD 3.29Å; N451-E460 PolarHBondContact ND2-OE1 3.37Å; N451-E460 PolarHBondContact ND2-OE2 3.03Å; P457-E460 WeakPolarHBondContact CD-OE2 3.47Å; P457-E460 WeakPolarHBondContact O-CB 3.21Å; P457-E460 PolarHBondContact O-N 3.06Å; P457-E460 VanDerWaalsContact O-N 3.1Å; P458-E460 VanDerWaalsContact C-N 3.31Å; P458-E460 PolarHBondContact O-N 2.94Å; E460-L462 VanDerWaalsContact C-N 3.26Å; E460-L462 PolarHBondContact O-N 3.25Å; E460-V463 PolarHBondContact O-N 3.18Å
461A83.5Confident82.9Confident0 Ų068.4 Ų68.40%038%0.384CS..Hα-helixtrans-63.1-33.9176.800000112.4F348 R446 R456 P457 P458F348-A461 HydrophobicContact CD1-CB 4.25Å; F348-A461 HydrophobicContact CE1-CB 3.84Å; R446-A461 PolarHBondContact NH2-O 3.4Å; R456-A461 HydrophobicContact CG-CB 4.34Å; P457-A461 PolarHBondContact O-N 3.32Å; P457-A461 VanDerWaalsContact O-N 3.16Å; P458-A461 WeakPolarHBondContact O-CB 3.22Å; P458-A461 PolarHBondContact O-N 2.73Å
462L89.4Confident82.7Confident42 Ų4269.2 Ų69.222%0.2239%0.389CS..Hα-helixtrans-89.5-11.1-176-65.1174.7000114.2E338 Q341 F348 P458 E459 E460 T464 V465E338-L462 HydrophobicContact CG-CD1 4.24Å; E338-L462 HydrophobicContact CG-CD2 4.33Å; Q341-L462 HydrophobicContact CB-CD2 4.07Å; Q341-L462 HydrophobicContact CG-CD1 4.49Å; Q341-L462 HydrophobicContact CG-CD2 4.38Å; Q341-L462 HydrophobicContact CG-CG 4.37Å; F348-L462 HydrophobicContact CE2-CD2 4.33Å; F348-L462 HydrophobicContact CZ-CD2 4.03Å; P458-L462 WeakPolarHBondContact O-CG 3.46Å; P458-L462 PolarHBondContact O-N 3.02Å; P458-L462 VanDerWaalsContact O-N 3.08Å; E459-L462 PolarHBondContact O-N 3.11Å; E460-L462 VanDerWaalsContact C-N 3.26Å; E460-L462 PolarHBondContact O-N 3.25Å; L462-T464 PolarHBondContact O-N 2.83Å; L462-V465 HydrophobicContact CB-CG2 4.49Å; L462-V465 HydrophobicContact CD2-CG2 3.76Å; L462-V465 WeakPolarHBondContact O-CB 3.25Å; L462-V465 PolarHBondContact O-N 3.13Å
463V91Very high82.6Confident117 Ų11770.7 Ų70.771%0.70940%0.397SS*.THydrogen-bonded Turntrans-51.6-32.1178.5170.20000113.4E459 E460E459-V463 WeakPolarHBondContact O-CG2 3.43Å; E459-V463 PolarHBondContact O-N 3.23Å; E460-V463 PolarHBondContact O-N 3.18Å
464T89.8Confident82.8Confident26 Ų2670.1 Ų70.116%0.1640%0.395CS..THydrogen-bonded Turntrans-89.8-8.4-178.7530000113.8R446 D447 P449 L462 P466R446-T464 WeakPolarHBondContact CA-O 3.31Å; R446-T464 VanDerWaalsContact CG-O 3.24Å; R446-T464 WeakPolarHBondContact CG-O 3.38Å; R446-T464 PolarHBondContact NE-OG1 3.43Å; R446-T464 PolarHBondContact NH2-OG1 3.39Å; R446-T464 VanDerWaalsContact NH2-OG1 3.13Å; D447-T464 HydrophobicContact CB-CG2 4.48Å; P449-T464 HydrophobicContact CB-CG2 4.09Å; L462-T464 PolarHBondContact O-N 2.83Å; T464-P466 WeakPolarHBondContact O-CD 3.29Å
465V89.5Confident83.3Confident17 Ų1769.2 Ų69.210%0.10339%0.393CS..SBendtrans-73.9124.5175.5-178.20000108.5Y337 E338 F348 L462Y337-V465 HydrophobicContact CD2-CG1 3.98Å; Y337-V465 HydrophobicContact CG-CG1 4.25Å; Y337-V465 HydrophobicContact CG-CG2 4.24Å; E338-V465 WeakPolarHBondContact OE1-CG1 3.38Å; F348-V465 HydrophobicContact CZ-CG2 4.31Å; L462-V465 HydrophobicContact CB-CG2 4.49Å; L462-V465 HydrophobicContact CD2-CG2 3.76Å; L462-V465 WeakPolarHBondContact O-CB 3.25Å; L462-V465 PolarHBondContact O-N 3.13Å
466P86.5Confident83.4Confident19 Ų1966.9 Ų66.912%0.12337%0.37CS..PPolyproline II helixtrans-60.7142.9175.2-23.434.6000111.5N443 H445 T464 H468N443-P466 HydrophobicContact CB-CB 4.27Å; N443-P466 VanDerWaalsContact O-CB 3.25Å; N443-P466 WeakPolarHBondContact O-CB 3.17Å; H445-P466 WeakPolarHBondContact O-CG 3.37Å; T464-P466 WeakPolarHBondContact O-CD 3.29Å; P466-H468 PolarHBondContact O-CE1 2.89Å; P466-H468 PolarHBondContact O-N 2.51Å
467A82Confident83.3Confident86 Ų8670.9 Ų70.971%0.71139%0.394SS*.PPolyproline II helixtrans-62.6134.7170.100000110.7
468H74.6Confident83.2Confident71 Ų7171.3 Ų71.333%0.32939%0.392SS..PPolyproline II helixtrans-80.3130.1169.5-43-51.3000107.6G266 E338 P466G266-H468 WeakPolarHBondContact CA-CE1 3.4Å; G266-H468 WeakPolarHBondContact CA-ND1 3.38Å; E338-H468 IonicContact OE1-CD2 3.96Å; E338-H468 IonicContact OE1-CE1 3.91Å; E338-H468 IonicContact OE1-NE2 2.87Å; E338-H468 PolarHBondContact OE1-NE2 3.3Å; E338-H468 IonicContact OE2-NE2 2.92Å; E338-H468 PolarHBondContact OE2-NE2 3.38Å; P466-H468 PolarHBondContact O-CE1 2.89Å; P466-H468 PolarHBondContact O-N 2.51Å
469Q56.8Low83.3Confident198 Ų19872.3 Ų72.393%0.92539%0.391SS*.  trans-92.50-178.2-77.8-172.6-8.400112.5V442V442-Q469 HydrophobicContact CG1-CB 4.38Å

Retrieved 469 of 469 residues in 3093.9 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).