A0A077ZPR6_TRITR Loading...

aspartate-semialdehyde dehydrogenase

AlphaFold DB , UniProt , Accession A0A077ZPR6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 387 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
1M39.4Very low38.9Very low240 Ų240164.3 Ų164.3100%1.18287%0.87SS**  0125.90-155.6164.97900106
2C38.1Very low39.6Very low125 Ų125165.2 Ų165.285%0.84587%0.865SS**  trans79.789.8-176.3-58.30000116.3
3Q30.7Very low40.5Very low195 Ų195158.9 Ų158.991%0.91184%0.838SS**  trans-74.1143.7150.5-69.3174.6-34.800108.1
4E39.9Very low41.2Very low198 Ų198151.4 Ų151.493%0.92580%0.804SS**  trans-126138.2164.6-91.5-178.2170.700110.5
5E39.3Very low41.8Very low193 Ų193151.7 Ų151.790%0.90281%0.806SS**  trans-83.9143-158.5-66.3169.3143.300113.3G7E5-G7 PolarHBondContact O-N 3.19Å
6T38Very low41.8Very low143 Ų143152.5 Ų152.588%0.87780%0.803SS**  trans-78.5107.1167.247.40000110.3
7G40.5Very low42.2Very low69 Ų69149.6 Ų149.671%0.71178%0.784SS**  trans-95.8121170.500000112.4E5 F9E5-G7 PolarHBondContact O-N 3.19Å; G7-F9 PolarHBondContact O-N 2.77Å
8T37.8Very low42.6Very low136 Ų136147.4 Ų147.483%0.83477%0.767SS**  trans-72.9115.3175.1-36.50000110.4I10T8-I10 PolarHBondContact O-N 3.2Å
9F37.1Very low43.2Very low197 Ų197146 Ų14686%0.86477%0.766SS**  trans-78.9111.6172.8-102.4-96.5000110.5G7G7-F9 PolarHBondContact O-N 2.77Å
10I42.3Very low44.8Very low132 Ų132146.1 Ų146.168%0.67777%0.766SS**  trans-91.4109.7159.7-60.1176.5000106.2T8 H12T8-I10 PolarHBondContact O-N 3.2Å; I10-H12 PolarHBondContact O-N 3.45Å; I10-H12 VanDerWaalsContact O-N 3.11Å
11Q44.4Very low46.9Very low179 Ų179141.1 Ų141.184%0.83674%0.74SS**  trans-70.6103.8173-88.3-179.4-38.900109.5T13Q11-T13 PolarHBondContact O-N 3.23Å
12H47.4Very low49.6Very low175 Ų175133.4 Ų133.481%0.8170%0.699SS**  trans-80.6107.4163.7-84.8-71.7000109.1I10I10-H12 PolarHBondContact O-N 3.45Å; I10-H12 VanDerWaalsContact O-N 3.11Å
13T51.6Low52.4Low84 Ų84129.8 Ų129.852%0.51567%0.671SS.*  trans-62.5133.6165.811.30000109.9Q11Q11-T13 PolarHBondContact O-N 3.23Å
14S49.9Very low55.6Low53 Ų53120.5 Ų120.537%0.37163%0.628SS.*  trans-69.6154.3-176.669.20000111.8Q16 E17 K18S14-Q16 PolarHBondContact O-N 3.37Å; S14-E17 PolarHBondContact N-OE2 3.21Å; S14-E17 PolarHBondContact O-N 3.44Å; S14-E17 WeakPolarHBondContact OG-CG 3.47Å; S14-E17 PolarHBondContact OG-N 2.92Å; S14-E17 PolarHBondContact OG-OE2 3.06Å; S14-K18 PolarHBondContact O-N 3.43Å
15L50.4Low58.4Low157 Ų157111 Ų11182%0.82258%0.584SS**Hα-helixtrans-59.9-28.8175.4-96.1127.2000112.8K18 T19L15-K18 PolarHBondContact O-N 2.86Å; L15-T19 PolarHBondContact O-OG1 3.45Å
16Q41.3Very low61.2Low164 Ų164101.9 Ų101.977%0.76654%0.541SS*.Hα-helixtrans-69.6-37.8177.2-79.6-176.8-26.800112.4S14 K18 T19S14-Q16 PolarHBondContact O-N 3.37Å; Q16-K18 VanDerWaalsContact C-N 3.3Å; Q16-K18 PolarHBondContact O-N 3.22Å; Q16-T19 WeakPolarHBondContact CA-OG1 3.37Å; Q16-T19 PolarHBondContact O-N 3.24Å; Q16-T19 PolarHBondContact O-OG1 2.89Å
17E49Very low64.1Low103 Ų10395.2 Ų95.248%0.48150%0.5SS..Hα-helixtrans-65.3-34.3175.4-74.4163.4145.800111.7S14 T19 L20S14-E17 PolarHBondContact N-OE2 3.21Å; S14-E17 PolarHBondContact O-N 3.44Å; S14-E17 WeakPolarHBondContact OG-CG 3.47Å; S14-E17 PolarHBondContact OG-N 2.92Å; S14-E17 PolarHBondContact OG-OE2 3.06Å; E17-T19 PolarHBondContact O-N 3.46Å; E17-L20 PolarHBondContact O-N 3.42Å; E17-L20 VanDerWaalsContact O-N 3.15Å
18K50.1Low66.8Low111 Ų11192.2 Ų92.248%0.48347%0.469SS..Hα-helixtrans-65.6-25.7176.4-70.1-172.7178.7-176.20113.7S14 L15 Q16 L20S14-K18 PolarHBondContact O-N 3.43Å; L15-K18 PolarHBondContact O-N 2.86Å; Q16-K18 VanDerWaalsContact C-N 3.3Å; Q16-K18 PolarHBondContact O-N 3.22Å; K18-L20 VanDerWaalsContact C-N 3.28Å
19T54.1Low69.6Low120 Ų12087.5 Ų87.574%0.73644%0.436SS*.THydrogen-bonded Turntrans-74.8-16.2176.23.60000113.4L15 Q16 E17L15-T19 PolarHBondContact O-OG1 3.45Å; Q16-T19 WeakPolarHBondContact CA-OG1 3.37Å; Q16-T19 PolarHBondContact O-N 3.24Å; Q16-T19 PolarHBondContact O-OG1 2.89Å; E17-T19 PolarHBondContact O-N 3.46Å
20L74.5Confident72.4Confident147 Ų14783.7 Ų83.777%0.7742%0.416SS*.THydrogen-bonded Turntrans-93.6-15.6-179-133.579.6000113.4E17 K18E17-L20 PolarHBondContact O-N 3.42Å; E17-L20 VanDerWaalsContact O-N 3.15Å; K18-L20 VanDerWaalsContact C-N 3.28Å
21M88.3Confident74.8Confident43 Ų4379 Ų7921%0.21240%0.4CS..PPolyproline II helixtrans-71.1135.4-176.2-67.5175.517400112.4D48 R51M21-D48 VanDerWaalsContact CE-O 3.28Å; M21-D48 WeakPolarHBondContact CE-O 3.43Å; M21-R51 HydrophobicContact CB-CG 4.01Å
22K96.1Very high77.2Confident78 Ų7872.8 Ų72.834%0.33937%0.372SS..PPolyproline II helixtrans-73142.4179.1-61.5-61.4-178178.80112.5V24 R51 D87 I88K22-V24 HydrophobicContact CB-CG2 4.24Å; K22-R51 PolarHBondContact O-N 3.31Å; K22-D87 HydrophobicContact CB-CB 4.05Å; K22-D87 HydrophobicContact CD-CB 3.83Å; K22-D87 HydrophobicContact CG-CB 4.44Å; K22-D87 IonicContact NZ-OD1 3.95Å; K22-I88 HydrophobicContact CB-CD1 4.19Å; K22-I88 HydrophobicContact CG-CD1 4.36Å
23N97.1Very high79.6Confident48 Ų4865.9 Ų65.926%0.25734%0.342SS..EExtended strand (participates in β ladder)trans-82.4117.6169.6-56.1-78.5000109.3R51 L86 D87 I88N23-R51 WeakPolarHBondContact CA-O 3.36Å; N23-R51 PolarHBondContact OD1-NE 2.79Å; N23-L86 HydrophobicContact CB-CD2 4.39Å; N23-D87 PolarHBondContact N-OD2 3.12Å; N23-D87 PolarHBondContact ND2-OD2 2.79Å; N23-D87 VanDerWaalsContact ND2-OD2 3.12Å; N23-D87 PolarHBondContact O-N 2.84Å; N23-I88 PolarHBondContact O-N 3.2Å
24V98.3Very high81.8Confident0 Ų061.9 Ų61.90%032%0.317CS..EExtended strand (participates in β ladder)trans-120.9117.6-170.4-173.60000110.4K22 F26 I50 R51 P52 V53 I88 V90 L383K22-V24 HydrophobicContact CB-CG2 4.24Å; V24-F26 HydrophobicContact CB-CE2 3.99Å; V24-F26 HydrophobicContact CB-CZ 4.15Å; V24-F26 HydrophobicContact CG1-CE1 4.16Å; V24-F26 HydrophobicContact CG1-CE2 3.69Å; V24-F26 HydrophobicContact CG1-CZ 3.46Å; V24-F26 VanDerWaalsContact CG1-CZ 3.46Å; V24-F26 WeakPolarHBondContact O-CE2 3.32Å; V24-I50 HydrophobicContact CB-CD1 4.16Å; V24-I50 HydrophobicContact CG1-CD1 4.49Å; V24-I50 HydrophobicContact CG2-CB 3.83Å; V24-I50 HydrophobicContact CG2-CD1 4.22Å; V24-I50 HydrophobicContact CG2-CG2 3.84Å; V24-R51 PolarHBondContact N-O 3.18Å; V24-P52 CarbonylContact O-C 3.55Å; V24-P52 WeakPolarHBondContact O-CA 3.16Å; V24-V53 PolarHBondContact O-N 3.43Å; V24-I88 CarbonylContact C-O 3.57Å; V24-I88 VanDerWaalsContact CA-O 3.31Å; V24-I88 WeakPolarHBondContact CA-O 3.24Å; V24-I88 HydrophobicContact CG1-CB 4.17Å; V24-I88 HydrophobicContact CG1-CG2 4.26Å; V24-I88 HydrophobicContact CG2-CB 4.17Å; V24-I88 HydrophobicContact CG2-CD1 4.28Å; V24-V90 HydrophobicContact CG1-CG2 4.08Å; V24-L383 HydrophobicContact CG1-CD1 3.79Å; V24-L383 HydrophobicContact CG1-CD2 4.24Å; V24-L383 HydrophobicContact CG2-CD1 3.97Å
25G98.3Very high84.1Confident0 Ų062.2 Ų62.20%032%0.32CS..EExtended strand (participates in β ladder)trans-87.4132.8176.400000112.8V53 I88 I89 V90G25-V53 CarbonylContact C-O 3.53Å; G25-V53 VanDerWaalsContact CA-O 3.27Å; G25-V53 WeakPolarHBondContact CA-O 3.5Å; G25-I88 PolarHBondContact N-O 3.3Å; G25-I89 WeakPolarHBondContact O-CA 3.42Å; G25-V90 PolarHBondContact O-N 3.2Å
26F98.6Very high86.4Confident1 Ų155.3 Ų55.30%0.00428%0.284CS..EExtended strand (participates in β ladder)trans-112.6120.1175.3-63.1-84.3000110.9V24 W29 M38 M41 F47 I50 P52 V53 F54 F55 V90 L383V24-F26 HydrophobicContact CB-CE2 3.99Å; V24-F26 HydrophobicContact CB-CZ 4.15Å; V24-F26 HydrophobicContact CG1-CE1 4.16Å; V24-F26 HydrophobicContact CG1-CE2 3.69Å; V24-F26 HydrophobicContact CG1-CZ 3.46Å; V24-F26 VanDerWaalsContact CG1-CZ 3.46Å; V24-F26 WeakPolarHBondContact O-CE2 3.32Å; F26-W29 HydrophobicContact CB-CB 4.31Å; F26-M38 HydrophobicContact CD1-CE 3.65Å; F26-M38 HydrophobicContact CE1-CE 4.06Å; F26-M38 HydrophobicContact CG-CE 4.27Å; F26-M41 HydrophobicContact CD1-SD 4.4Å; F26-M41 HydrophobicContact CE1-CE 3.71Å; F26-M41 HydrophobicContact CE1-SD 3.55Å; F26-M41 VanDerWaalsContact CE1-SD 3.55Å; F26-M41 HydrophobicContact CZ-CE 3.55Å; F26-M41 HydrophobicContact CZ-SD 4.05Å; F26-F47 HydrophobicContact CE2-CE1 4.09Å; F26-F47 HydrophobicContact CZ-CE1 4.19Å; F26-I50 HydrophobicContact CE2-CD1 3.9Å; F26-I50 HydrophobicContact CZ-CD1 3.65Å; F26-P52 HydrophobicContact CD2-CB 4.13Å; F26-P52 HydrophobicContact CE2-CB 3.7Å; F26-V53 PolarHBondContact N-O 3.29Å; F26-F54 HydrophobicContact CB-CD1 4.04Å; F26-F54 HydrophobicContact CB-CE1 4.31Å; F26-F54 HydrophobicContact CD2-CD1 4.44Å; F26-F54 HydrophobicContact CD2-CE1 4.18Å; F26-F54 HydrophobicContact CG-CE1 4.36Å; F26-F55 PolarHBondContact O-N 2.99Å; F26-V90 WeakPolarHBondContact CA-O 3.42Å; F26-V90 HydrophobicContact CD1-CB 4.03Å; F26-V90 HydrophobicContact CE1-CB 4.07Å; F26-V90 HydrophobicContact CE1-CG2 4.11Å; F26-L383 HydrophobicContact CE1-CD2 4.17Å; F26-L383 HydrophobicContact CZ-CD2 4Å
27I98.6Very high89.1Confident3 Ų347.6 Ų47.62%0.01525%0.248CC..EExtended strand (participates in β ladder)trans-121.2137.6-179.4-53.3148.1000109W29 F55 A77 L83 I89 V90 T91 C92 Q93 Y97I27-W29 PolarHBondContact O-N 3.04Å; I27-F55 HydrophobicContact CG1-CB 3.73Å; I27-F55 HydrophobicContact CG1-CD2 4.25Å; I27-F55 HydrophobicContact CG1-CG 4.05Å; I27-A77 HydrophobicContact CG2-CB 4.11Å; I27-L83 HydrophobicContact CD1-CD2 4.01Å; I27-I89 HydrophobicContact CD1-CG2 3.46Å; I27-I89 VanDerWaalsContact CD1-CG2 3.46Å; I27-V90 PolarHBondContact N-O 3.33Å; I27-T91 WeakPolarHBondContact O-CA 3.15Å; I27-C92 PolarHBondContact O-N 3.3Å; I27-Q93 HydrophobicContact CG2-CB 3.94Å; I27-Q93 HydrophobicContact CG2-CG 4.32Å; I27-Y97 HydrophobicContact CB-CE1 4.38Å; I27-Y97 HydrophobicContact CD1-CE1 3.79Å; I27-Y97 VanDerWaalsContact CD1-OH 3.28Å; I27-Y97 WeakPolarHBondContact CD1-OH 3.38Å; I27-Y97 HydrophobicContact CG2-CD1 4.24Å; I27-Y97 HydrophobicContact CG2-CE1 3.73Å; I27-Y97 HydrophobicContact CG2-CE2 4.14Å
28G97.8Very high91.4Very high6 Ų643.2 Ų43.26%0.06223%0.228CC..SBendtrans70.715.7-174.900000115R30 G31G28-R30 PolarHBondContact O-N 3.26Å; G28-R30 VanDerWaalsContact O-N 3.13Å; G28-G31 PolarHBondContact O-N 3.44Å
29W97.4Very high93.7Very high36 Ų3643.1 Ų43.114%0.13623%0.229CC..THydrogen-bonded Turntrans-61.4-19.5179.962.8-89.4000114.2F26 I27 G34 S35 M38 F54 F55 P65 F67 L74F26-W29 HydrophobicContact CB-CB 4.31Å; I27-W29 PolarHBondContact O-N 3.04Å; W29-G34 CarbonylContact O-C 3.58Å; W29-S35 PolarHBondContact O-N 3.33Å; W29-M38 HydrophobicContact CB-CE 4.37Å; W29-M38 HydrophobicContact CB-CG 3.97Å; W29-M38 HydrophobicContact CB-SD 3.89Å; W29-F54 HydrophobicContact CD2-CD1 4.06Å; W29-F54 HydrophobicContact CG-CD1 4.05Å; W29-F55 PolarHBondContact NE1-O 3.21Å; W29-P65 HydrophobicContact CD2-CG 4.45Å; W29-P65 HydrophobicContact CE3-CG 4.01Å; W29-P65 HydrophobicContact CH2-CB 4.47Å; W29-P65 HydrophobicContact CH2-CG 3.25Å; W29-P65 HydrophobicContact CZ2-CG 3.74Å; W29-P65 HydrophobicContact CZ3-CB 4.35Å; W29-P65 HydrophobicContact CZ3-CG 3.39Å; W29-F67 HydrophobicContact CE3-CZ 4.13Å; W29-F67 HydrophobicContact CZ3-CZ 4.31Å; W29-L74 HydrophobicContact CZ2-CD1 4.24Å; W29-L74 HydrophobicContact CZ2-CD2 3.79Å
30R94.7Very high95.8Very high117 Ų11738.2 Ų38.244%0.44220%0.197SC..THydrogen-bonded Turntrans-85.9-13.8175.9-63.3175.363.1-148.43.1114G28 S35G28-R30 PolarHBondContact O-N 3.26Å; G28-R30 VanDerWaalsContact O-N 3.13Å; R30-S35 PolarHBondContact O-OG 2.85Å
31G94Very high97Very high34 Ų3431.2 Ų31.235%0.35116%0.161SC..SBendtrans-70.2175177.400000111.5G28 G34 S35G28-G31 PolarHBondContact O-N 3.44Å; G31-G34 PolarHBondContact O-N 2.95Å; G31-S35 VanDerWaalsContact O-CB 3.31Å; G31-S35 WeakPolarHBondContact O-CB 3.44Å; G31-S35 PolarHBondContact O-N 3.28Å; G31-S35 PolarHBondContact O-OG 3.19Å
32M94.7Very high97.4Very high49 Ų4932.7 Ų32.724%0.24117%0.172CC..Hα-helixtrans-60.4-51.1-178.7-178.9172.561.800112.3S35 V36 S185 A189 M192 L371M32-S35 PolarHBondContact O-N 3.48Å; M32-V36 PolarHBondContact O-N 2.86Å; M32-S185 WeakPolarHBondContact CE-O 3.23Å; M32-A189 HydrophobicContact CB-CB 4.48Å; M32-A189 HydrophobicContact SD-CB 4.09Å; M32-M192 HydrophobicContact CE-SD 4.45Å; M32-M192 HydrophobicContact SD-SD 3.46Å; M32-L371 HydrophobicContact CE-CD2 3.9Å; M32-L371 HydrophobicContact CG-CD1 3.99Å; M32-L371 HydrophobicContact CG-CD2 4.05Å; M32-L371 HydrophobicContact SD-CD1 4.15Å; M32-L371 HydrophobicContact SD-CD2 4.25Å
33V97.4Very high97.5Very high29 Ų2933.7 Ų33.718%0.17618%0.178CC..Hα-helixtrans-64.1-45.5175.8177.20000110.7S35 V36 L37 C92 L371 A375 A376V33-S35 VanDerWaalsContact C-N 3.3Å; V33-S35 PolarHBondContact O-N 2.93Å; V33-V36 PolarHBondContact O-N 3.1Å; V33-L37 PolarHBondContact O-N 3.05Å; V33-C92 HydrophobicContact CB-CB 4.41Å; V33-C92 HydrophobicContact CG1-CB 4.28Å; V33-L371 HydrophobicContact CG2-CD2 4.1Å; V33-A375 HydrophobicContact CG1-CB 3.78Å; V33-A375 HydrophobicContact CG2-CB 4.06Å; V33-A376 HydrophobicContact CG1-CB 4.39Å
34G97.9Very high97.5Very high0 Ų035.5 Ų35.50%019%0.185CC..Hα-helixtrans-57.3-40.4177.500000113.2W29 G31 V36 L37 M38W29-G34 CarbonylContact O-C 3.58Å; G31-G34 PolarHBondContact O-N 2.95Å; G34-V36 PolarHBondContact O-N 3.17Å; G34-L37 WeakPolarHBondContact O-CB 3.28Å; G34-L37 PolarHBondContact O-N 2.79Å; G34-M38 VanDerWaalsContact O-CG 3.27Å; G34-M38 WeakPolarHBondContact O-CG 3.42Å; G34-M38 PolarHBondContact O-N 3.46Å
35S97.2Very high97.4Very high60 Ų6044.1 Ų44.142%0.4222%0.217SC..Hα-helixtrans-67.7-38.6-179.8-60.20000111.5W29 R30 G31 M32 V33 M38 Q39W29-S35 PolarHBondContact O-N 3.33Å; R30-S35 PolarHBondContact O-OG 2.85Å; G31-S35 VanDerWaalsContact O-CB 3.31Å; G31-S35 WeakPolarHBondContact O-CB 3.44Å; G31-S35 PolarHBondContact O-N 3.28Å; G31-S35 PolarHBondContact O-OG 3.19Å; M32-S35 PolarHBondContact O-N 3.48Å; V33-S35 VanDerWaalsContact C-N 3.3Å; V33-S35 PolarHBondContact O-N 2.93Å; S35-M38 PolarHBondContact O-N 3.3Å; S35-Q39 WeakPolarHBondContact O-CB 3.36Å; S35-Q39 PolarHBondContact O-N 3.39Å
36V98.2Very high97.3Very high13 Ų1344.4 Ų44.48%0.07922%0.219CC..Hα-helixtrans-66.2-40.8173.1175.70000110.7M32 V33 G34 Q39 R40 L371 L372 A376M32-V36 PolarHBondContact O-N 2.86Å; V33-V36 PolarHBondContact O-N 3.1Å; G34-V36 PolarHBondContact O-N 3.17Å; V36-Q39 PolarHBondContact O-N 3.49Å; V36-R40 WeakPolarHBondContact O-CG 3.35Å; V36-R40 PolarHBondContact O-N 3.49Å; V36-L371 HydrophobicContact CG1-CB 4.35Å; V36-L371 HydrophobicContact CG2-CB 4.09Å; V36-L371 HydrophobicContact CG2-CD1 4.21Å; V36-L372 HydrophobicContact CG1-CD2 3.7Å; V36-L372 HydrophobicContact CG1-CG 4.44Å; V36-A376 HydrophobicContact CB-CB 4.41Å; V36-A376 HydrophobicContact CG1-CB 4.05Å
37L98.6Very high97.2Very high2 Ų245.1 Ų45.11%0.0122%0.222CC..Hα-helixtrans-59.2-49.3173.6176.363.5000111.4V33 G34 Q39 R40 M41 V90 A376 R380V33-L37 PolarHBondContact O-N 3.05Å; G34-L37 WeakPolarHBondContact O-CB 3.28Å; G34-L37 PolarHBondContact O-N 2.79Å; L37-Q39 VanDerWaalsContact C-N 3.33Å; L37-Q39 PolarHBondContact O-N 3.15Å; L37-R40 PolarHBondContact O-N 3.28Å; L37-M41 HydrophobicContact CD1-CG 4.08Å; L37-M41 HydrophobicContact CD1-SD 4.06Å; L37-M41 HydrophobicContact CG-CG 4.41Å; L37-M41 HydrophobicContact CG-SD 4.03Å; L37-M41 WeakPolarHBondContact O-CB 3.5Å; L37-M41 VanDerWaalsContact O-CG 3.29Å; L37-M41 WeakPolarHBondContact O-CG 3.5Å; L37-M41 PolarHBondContact O-N 2.64Å; L37-V90 HydrophobicContact CD2-CG1 3.74Å; L37-A376 HydrophobicContact CB-CB 3.94Å; L37-R380 HydrophobicContact CD1-CB 3.7Å; L37-R380 HydrophobicContact CD1-CG 4.36Å
38M98.2Very high97Very high10 Ų1050.5 Ų50.55%0.04925%0.251CS..Hα-helixtrans-60.7-42.5178.4-64-59.689.500111.6F26 W29 G34 S35 M41 V42 F47 F54 F67F26-M38 HydrophobicContact CD1-CE 3.65Å; F26-M38 HydrophobicContact CE1-CE 4.06Å; F26-M38 HydrophobicContact CG-CE 4.27Å; W29-M38 HydrophobicContact CB-CE 4.37Å; W29-M38 HydrophobicContact CB-CG 3.97Å; W29-M38 HydrophobicContact CB-SD 3.89Å; G34-M38 VanDerWaalsContact O-CG 3.27Å; G34-M38 WeakPolarHBondContact O-CG 3.42Å; G34-M38 PolarHBondContact O-N 3.46Å; S35-M38 PolarHBondContact O-N 3.3Å; M38-M41 HydrophobicContact CE-SD 3.62Å; M38-M41 PolarHBondContact O-N 3.28Å; M38-V42 WeakPolarHBondContact O-CG2 3.45Å; M38-V42 PolarHBondContact O-N 3.02Å; M38-F47 HydrophobicContact CE-CZ 4.19Å; M38-F47 HydrophobicContact SD-CZ 3.82Å; M38-F54 HydrophobicContact SD-CE1 3.82Å; M38-F67 HydrophobicContact CB-CE2 4.08Å; M38-F67 HydrophobicContact CB-CZ 3.96Å; M38-F67 HydrophobicContact CG-CE2 3.99Å; M38-F67 HydrophobicContact CG-CZ 3.76Å; M38-F67 HydrophobicContact SD-CE2 3.51Å; M38-F67 VanDerWaalsContact SD-CE2 3.51Å; M38-F67 HydrophobicContact SD-CZ 3.79Å
39Q97.9Very high96.8Very high109 Ų10951.2 Ų51.251%0.50926%0.255SS..Hα-helixtrans-57.8-51.4175.1-178.1-172.8-24.600111.1S35 V36 L37 M41 V42 E43S35-Q39 WeakPolarHBondContact O-CB 3.36Å; S35-Q39 PolarHBondContact O-N 3.39Å; V36-Q39 PolarHBondContact O-N 3.49Å; L37-Q39 VanDerWaalsContact C-N 3.33Å; L37-Q39 PolarHBondContact O-N 3.15Å; Q39-M41 VanDerWaalsContact C-N 3.34Å; Q39-M41 PolarHBondContact O-N 3.27Å; Q39-V42 PolarHBondContact O-N 3.01Å; Q39-E43 WeakPolarHBondContact CG-OE1 3.07Å; Q39-E43 PolarHBondContact NE2-OE1 3.43Å; Q39-E43 WeakPolarHBondContact O-CG 3.49Å; Q39-E43 PolarHBondContact O-N 3.11Å
40R98.4Very high96.8Very high17 Ų1749.9 Ų49.96%0.06425%0.251CS..Hα-helixtrans-62-40.4179.3-72.1-65.5-60.6130.16.7112.5V36 L37 V42 E43 E44 L372 E377V36-R40 WeakPolarHBondContact O-CG 3.35Å; V36-R40 PolarHBondContact O-N 3.49Å; L37-R40 PolarHBondContact O-N 3.28Å; R40-V42 VanDerWaalsContact C-N 3.31Å; R40-V42 PolarHBondContact O-N 3.2Å; R40-E43 WeakPolarHBondContact CD-OE2 3.48Å; R40-E43 IonicContact CZ-OE2 3.4Å; R40-E43 IonicContact NE-OE2 3.08Å; R40-E43 IonicContact NH1-OE2 3.17Å; R40-E43 PolarHBondContact NH1-OE2 3.43Å; R40-E43 PolarHBondContact O-N 3.3Å; R40-E44 IonicContact CZ-OE1 3.57Å; R40-E44 VanDerWaalsContact CZ-OE1 3.27Å; R40-E44 IonicContact NH1-OE1 3.69Å; R40-E44 PolarHBondContact NH1-OE1 2.83Å; R40-E44 IonicContact NH2-OE1 3.84Å; R40-E44 PolarHBondContact NH2-OE1 3.16Å; R40-E44 WeakPolarHBondContact O-CB 3.45Å; R40-E44 VanDerWaalsContact O-CG 3.27Å; R40-E44 WeakPolarHBondContact O-CG 3.47Å; R40-E44 PolarHBondContact O-N 2.77Å; R40-L372 HydrophobicContact CG-CD2 3.78Å; R40-E377 IonicContact CZ-OE1 3.67Å; R40-E377 IonicContact CZ-OE2 3.27Å; R40-E377 IonicContact NE-OE1 2.83Å; R40-E377 IonicContact NE-OE2 2.68Å; R40-E377 PolarHBondContact NE-OE2 2.97Å; R40-E377 IonicContact NH2-OE1 3.78Å; R40-E377 PolarHBondContact NH2-OE1 2.67Å; R40-E377 IonicContact NH2-OE2 2.77Å
41M98.3Very high96.8Very high1 Ų150.5 Ų50.51%0.00525%0.253CS..Hα-helixtrans-64.1-34.6176.6-73.9-174.371.400113F26 L37 M38 Q39 R45 D46 F47 I50 R380 L383F26-M41 HydrophobicContact CD1-SD 4.4Å; F26-M41 HydrophobicContact CE1-CE 3.71Å; F26-M41 HydrophobicContact CE1-SD 3.55Å; F26-M41 VanDerWaalsContact CE1-SD 3.55Å; F26-M41 HydrophobicContact CZ-CE 3.55Å; F26-M41 HydrophobicContact CZ-SD 4.05Å; L37-M41 HydrophobicContact CD1-CG 4.08Å; L37-M41 HydrophobicContact CD1-SD 4.06Å; L37-M41 HydrophobicContact CG-CG 4.41Å; L37-M41 HydrophobicContact CG-SD 4.03Å; L37-M41 WeakPolarHBondContact O-CB 3.5Å; L37-M41 VanDerWaalsContact O-CG 3.29Å; L37-M41 WeakPolarHBondContact O-CG 3.5Å; L37-M41 PolarHBondContact O-N 2.64Å; M38-M41 HydrophobicContact CE-SD 3.62Å; M38-M41 PolarHBondContact O-N 3.28Å; Q39-M41 VanDerWaalsContact C-N 3.34Å; Q39-M41 PolarHBondContact O-N 3.27Å; M41-R45 PolarHBondContact O-N 3.16Å; M41-R45 VanDerWaalsContact O-N 3.13Å; M41-D46 HydrophobicContact CB-CB 4.08Å; M41-D46 HydrophobicContact CE-CB 3.79Å; M41-D46 HydrophobicContact CG-CB 4.14Å; M41-D46 PolarHBondContact O-N 2.94Å; M41-F47 HydrophobicContact CB-CD2 4.19Å; M41-F47 HydrophobicContact CB-CE2 3.56Å; M41-F47 HydrophobicContact CB-CZ 3.91Å; M41-F47 HydrophobicContact CE-CD1 4.13Å; M41-F47 HydrophobicContact CE-CE1 3.72Å; M41-F47 HydrophobicContact CE-CE2 4.38Å; M41-F47 HydrophobicContact CE-CZ 3.85Å; M41-F47 HydrophobicContact SD-CE1 4.41Å; M41-F47 HydrophobicContact SD-CZ 4.06Å; M41-I50 HydrophobicContact CE-CD1 3.92Å; M41-R380 HydrophobicContact CG-CG 3.82Å; M41-L383 HydrophobicContact CE-CD2 3.64Å; M41-L383 HydrophobicContact SD-CD2 4.41Å
42V97.6Very high96.9Very high73 Ų7349.3 Ų49.344%0.44224%0.239SC..Hα-helixtrans-69.5-45.7172.9171.90000110.9M38 Q39 R40 E44 R45 F47 F67M38-V42 WeakPolarHBondContact O-CG2 3.45Å; M38-V42 PolarHBondContact O-N 3.02Å; Q39-V42 PolarHBondContact O-N 3.01Å; R40-V42 VanDerWaalsContact C-N 3.31Å; R40-V42 PolarHBondContact O-N 3.2Å; V42-E44 VanDerWaalsContact C-N 3.27Å; V42-E44 PolarHBondContact O-N 3.37Å; V42-R45 PolarHBondContact O-N 3.21Å; V42-F47 HydrophobicContact CG2-CD2 4.22Å; V42-F47 HydrophobicContact CG2-CE2 3.96Å; V42-F67 HydrophobicContact CG2-CB 3.79Å; V42-F67 HydrophobicContact CG2-CD2 4.2Å; V42-F67 HydrophobicContact CG2-CG 4.16Å
43E97.5Very high97.1Very high100 Ų10048.9 Ų48.947%0.46724%0.24SC..Hα-helixtrans-58.2-39.5178.5-72.4169.8-173.200112.2Q39 R40Q39-E43 WeakPolarHBondContact CG-OE1 3.07Å; Q39-E43 PolarHBondContact NE2-OE1 3.43Å; Q39-E43 WeakPolarHBondContact O-CG 3.49Å; Q39-E43 PolarHBondContact O-N 3.11Å; R40-E43 WeakPolarHBondContact CD-OE2 3.48Å; R40-E43 IonicContact CZ-OE2 3.4Å; R40-E43 IonicContact NE-OE2 3.08Å; R40-E43 IonicContact NH1-OE2 3.17Å; R40-E43 PolarHBondContact NH1-OE2 3.43Å; R40-E43 PolarHBondContact O-N 3.3Å
44E97.7Very high97.1Very high86 Ų8647.6 Ų47.640%0.40223%0.232SC..THydrogen-bonded Turntrans-92.82.3-177.6-58.7-70.3155.900113.3R40 V42 D46R40-E44 IonicContact CZ-OE1 3.57Å; R40-E44 VanDerWaalsContact CZ-OE1 3.27Å; R40-E44 IonicContact NH1-OE1 3.69Å; R40-E44 PolarHBondContact NH1-OE1 2.83Å; R40-E44 IonicContact NH2-OE1 3.84Å; R40-E44 PolarHBondContact NH2-OE1 3.16Å; R40-E44 WeakPolarHBondContact O-CB 3.45Å; R40-E44 VanDerWaalsContact O-CG 3.27Å; R40-E44 WeakPolarHBondContact O-CG 3.47Å; R40-E44 PolarHBondContact O-N 2.77Å; V42-E44 VanDerWaalsContact C-N 3.27Å; V42-E44 PolarHBondContact O-N 3.37Å; E44-D46 PolarHBondContact O-N 3.05Å
45R96.7Very high97.1Very high181 Ų18147.7 Ų47.768%0.68323%0.232SC*.THydrogen-bonded Turntrans53.139.5-176.9-58.9-176.1178.2175.6-1.7113.4M41 V42 F47 D48M41-R45 PolarHBondContact O-N 3.16Å; M41-R45 VanDerWaalsContact O-N 3.13Å; V42-R45 PolarHBondContact O-N 3.21Å; R45-F47 VanDerWaalsContact C-N 3.28Å; R45-F47 PolarHBondContact O-N 3.48Å; R45-D48 PolarHBondContact O-N 3.3Å
46D96.8Very high97.1Very high6 Ų645.1 Ų45.13%0.03221%0.214CC..G310 helixtrans-68.2-29.3-178.2-73.3-38.3000112.4M41 E44 D48 A49 R380 R384M41-D46 HydrophobicContact CB-CB 4.08Å; M41-D46 HydrophobicContact CE-CB 3.79Å; M41-D46 HydrophobicContact CG-CB 4.14Å; M41-D46 PolarHBondContact O-N 2.94Å; E44-D46 PolarHBondContact O-N 3.05Å; D46-D48 PolarHBondContact O-N 3.08Å; D46-A49 PolarHBondContact O-N 3.01Å; D46-R380 IonicContact OD1-NH1 3.87Å; D46-R380 WeakPolarHBondContact OD2-CD 3.37Å; D46-R380 WeakPolarHBondContact OD2-CG 3.46Å; D46-R380 IonicContact OD2-CZ 2.79Å; D46-R380 IonicContact OD2-NE 3.08Å; D46-R380 IonicContact OD2-NH1 3.65Å; D46-R380 PolarHBondContact OD2-NH1 3.01Å; D46-R384 VanDerWaalsContact OD1-CD 3.29Å; D46-R384 WeakPolarHBondContact OD1-CD 3.25Å; D46-R384 IonicContact OD1-NH1 3Å; D46-R384 PolarHBondContact OD1-NH1 3Å
47F96.4Very high96.9Very high16 Ų1647.3 Ų47.37%0.0723%0.228CC..G310 helixtrans-64.7-21.4177.7-66.7-66.3000113.8F26 M38 M41 V42 R45 A49 I50 P52 F54 F67F26-F47 HydrophobicContact CE2-CE1 4.09Å; F26-F47 HydrophobicContact CZ-CE1 4.19Å; M38-F47 HydrophobicContact CE-CZ 4.19Å; M38-F47 HydrophobicContact SD-CZ 3.82Å; M41-F47 HydrophobicContact CB-CD2 4.19Å; M41-F47 HydrophobicContact CB-CE2 3.56Å; M41-F47 HydrophobicContact CB-CZ 3.91Å; M41-F47 HydrophobicContact CE-CD1 4.13Å; M41-F47 HydrophobicContact CE-CE1 3.72Å; M41-F47 HydrophobicContact CE-CE2 4.38Å; M41-F47 HydrophobicContact CE-CZ 3.85Å; M41-F47 HydrophobicContact SD-CE1 4.41Å; M41-F47 HydrophobicContact SD-CZ 4.06Å; V42-F47 HydrophobicContact CG2-CD2 4.22Å; V42-F47 HydrophobicContact CG2-CE2 3.96Å; R45-F47 VanDerWaalsContact C-N 3.28Å; R45-F47 PolarHBondContact O-N 3.48Å; F47-A49 PolarHBondContact O-N 3.37Å; F47-I50 HydrophobicContact CD1-CD1 4.03Å; F47-I50 HydrophobicContact CD1-CG1 4.47Å; F47-I50 HydrophobicContact CE1-CD1 4.48Å; F47-P52 HydrophobicContact CD1-CB 3.89Å; F47-P52 HydrophobicContact CD1-CG 3.94Å; F47-P52 HydrophobicContact CE1-CB 4.09Å; F47-F54 HydrophobicContact CE1-CE1 4.42Å; F47-F54 AromaticContact CE1-CZ 3.85Å; F47-F54 HydrophobicContact CE1-CZ 3.85Å; F47-F54 HydrophobicContact CZ-CZ 4.25Å; F47-F67 HydrophobicContact CD2-CD2 4.34Å; F47-F67 WeakPolarHBondContact CD2-O 3.47Å; F47-F67 AromaticContact CE2-CD2 3.64Å; F47-F67 HydrophobicContact CE2-CD2 3.64Å; F47-F67 HydrophobicContact CE2-CE2 4.04Å; F47-F67 AromaticContact CZ-CD2 3.84Å; F47-F67 HydrophobicContact CZ-CD2 3.84Å; F47-F67 AromaticContact CZ-CE2 3.79Å; F47-F67 HydrophobicContact CZ-CE2 3.79Å
48D93.4Very high96.7Very high116 Ų11651.3 Ų51.362%0.6226%0.256SS*.G310 helixtrans-71.7-17.4178.6-64.9-13.4000112.4M21 R45 D46M21-D48 VanDerWaalsContact CE-O 3.28Å; M21-D48 WeakPolarHBondContact CE-O 3.43Å; R45-D48 PolarHBondContact O-N 3.3Å; D46-D48 PolarHBondContact O-N 3.08Å
49A94.4Very high96.5Very high20 Ų2053.3 Ų53.317%0.16527%0.265CS..G310 helixtrans-102.8-0.4-176.500000114D46 F47D46-A49 PolarHBondContact O-N 3.01Å; F47-A49 PolarHBondContact O-N 3.37Å
50I95.9Very high96.3Very high9 Ų953 Ų535%0.04627%0.267CS..SBendtrans-137.8168.5-171.862.5174.6000111.7V24 F26 M41 F47 P52 L383 A387V24-I50 HydrophobicContact CB-CD1 4.16Å; V24-I50 HydrophobicContact CG1-CD1 4.49Å; V24-I50 HydrophobicContact CG2-CB 3.83Å; V24-I50 HydrophobicContact CG2-CD1 4.22Å; V24-I50 HydrophobicContact CG2-CG2 3.84Å; F26-I50 HydrophobicContact CE2-CD1 3.9Å; F26-I50 HydrophobicContact CZ-CD1 3.65Å; M41-I50 HydrophobicContact CE-CD1 3.92Å; F47-I50 HydrophobicContact CD1-CD1 4.03Å; F47-I50 HydrophobicContact CD1-CG1 4.47Å; F47-I50 HydrophobicContact CE1-CD1 4.48Å; I50-P52 HydrophobicContact CD1-CB 4.36Å; I50-P52 WeakPolarHBondContact O-CD 3.26Å; I50-L383 HydrophobicContact CD1-CD2 4.24Å; I50-A387 HydrophobicContact CG2-CB 3.61Å
51R95.3Very high96.1Very high129 Ų12955 Ų5549%0.48729%0.291SS..EExtended strand (participates in β ladder)trans-106.892.9167.7-64.6171.258.382.15108.5M21 K22 N23 V24M21-R51 HydrophobicContact CB-CG 4.01Å; K22-R51 PolarHBondContact O-N 3.31Å; N23-R51 WeakPolarHBondContact CA-O 3.36Å; N23-R51 PolarHBondContact OD1-NE 2.79Å; V24-R51 PolarHBondContact N-O 3.18Å
52P97.1Very high95.9Very high9 Ų959.9 Ų59.96%0.05831%0.314CS..EExtended strand (participates in β ladder)trans-77.6137.1-173.231.4-34.4000111.9V24 F26 F47 I50 F54 G68 T70V24-P52 CarbonylContact O-C 3.55Å; V24-P52 WeakPolarHBondContact O-CA 3.16Å; F26-P52 HydrophobicContact CD2-CB 4.13Å; F26-P52 HydrophobicContact CE2-CB 3.7Å; F47-P52 HydrophobicContact CD1-CB 3.89Å; F47-P52 HydrophobicContact CD1-CG 3.94Å; F47-P52 HydrophobicContact CE1-CB 4.09Å; I50-P52 HydrophobicContact CD1-CB 4.36Å; I50-P52 WeakPolarHBondContact O-CD 3.26Å; P52-F54 HydrophobicContact CB-CE2 3.83Å; P52-F54 HydrophobicContact CB-CZ 4.09Å; P52-F54 HydrophobicContact CG-CE2 4.16Å; P52-G68 WeakPolarHBondContact CG-O 3.41Å; P52-T70 HydrophobicContact CG-CG2 4.04Å
53V97.2Very high95.8Very high41 Ų4160.4 Ų60.425%0.24833%0.327CS..EExtended strand (participates in β ladder)trans-122.2123.1171.9-175.20000107.9V24 G25 F26 F55 Q75 L86V24-V53 PolarHBondContact O-N 3.43Å; G25-V53 CarbonylContact C-O 3.53Å; G25-V53 VanDerWaalsContact CA-O 3.27Å; G25-V53 WeakPolarHBondContact CA-O 3.5Å; F26-V53 PolarHBondContact N-O 3.29Å; V53-F55 HydrophobicContact CB-CE2 3.95Å; V53-F55 HydrophobicContact CG1-CD2 4.23Å; V53-F55 HydrophobicContact CG1-CE2 3.49Å; V53-F55 VanDerWaalsContact CG1-CE2 3.49Å; V53-F55 HydrophobicContact CG1-CZ 3.92Å; V53-Q75 HydrophobicContact CG1-CB 4.5Å; V53-Q75 HydrophobicContact CG1-CG 3.59Å; V53-L86 HydrophobicContact CB-CD2 3.95Å; V53-L86 HydrophobicContact CG1-CD2 4.49Å; V53-L86 HydrophobicContact CG2-CD2 3.86Å
54F98.1Very high95.6Very high1 Ų156.3 Ų56.30%0.00431%0.31CS..EExtended strand (participates in β ladder)trans-100.7130.3-176.3-65.7-88.6000110.6F26 W29 M38 F47 P52 A64 P65 F67 L74 Q75F26-F54 HydrophobicContact CB-CD1 4.04Å; F26-F54 HydrophobicContact CB-CE1 4.31Å; F26-F54 HydrophobicContact CD2-CD1 4.44Å; F26-F54 HydrophobicContact CD2-CE1 4.18Å; F26-F54 HydrophobicContact CG-CE1 4.36Å; W29-F54 HydrophobicContact CD2-CD1 4.06Å; W29-F54 HydrophobicContact CG-CD1 4.05Å; M38-F54 HydrophobicContact SD-CE1 3.82Å; F47-F54 HydrophobicContact CE1-CE1 4.42Å; F47-F54 AromaticContact CE1-CZ 3.85Å; F47-F54 HydrophobicContact CE1-CZ 3.85Å; F47-F54 HydrophobicContact CZ-CZ 4.25Å; P52-F54 HydrophobicContact CB-CE2 3.83Å; P52-F54 HydrophobicContact CB-CZ 4.09Å; P52-F54 HydrophobicContact CG-CE2 4.16Å; F54-A64 HydrophobicContact CD2-CB 4Å; F54-P65 HydrophobicContact CD1-CG 4.15Å; F54-P65 HydrophobicContact CE1-CG 4.33Å; F54-P65 HydrophobicContact CG-CG 4.28Å; F54-F67 AromaticContact CE1-CE2 3.7Å; F54-F67 HydrophobicContact CE1-CE2 3.7Å; F54-F67 HydrophobicContact CE1-CZ 4.13Å; F54-F67 HydrophobicContact CZ-CD2 4.35Å; F54-F67 AromaticContact CZ-CE2 3.72Å; F54-F67 HydrophobicContact CZ-CE2 3.72Å; F54-F67 HydrophobicContact CZ-CZ 4.46Å; F54-L74 HydrophobicContact CB-CD2 3.51Å; F54-L74 WeakPolarHBondContact O-CA 3.34Å; F54-Q75 PolarHBondContact O-N 2.81Å
55F98.2Very high95.3Very high2 Ų253 Ų531%0.00930%0.296CS..EExtended strand (participates in β ladder)trans-108.1153.5179.9-70.4-100.2000110.8F26 I27 W29 V53 Q75 D76 A77 A82 L83 L86F26-F55 PolarHBondContact O-N 2.99Å; I27-F55 HydrophobicContact CG1-CB 3.73Å; I27-F55 HydrophobicContact CG1-CD2 4.25Å; I27-F55 HydrophobicContact CG1-CG 4.05Å; W29-F55 PolarHBondContact NE1-O 3.21Å; V53-F55 HydrophobicContact CB-CE2 3.95Å; V53-F55 HydrophobicContact CG1-CD2 4.23Å; V53-F55 HydrophobicContact CG1-CE2 3.49Å; V53-F55 VanDerWaalsContact CG1-CE2 3.49Å; V53-F55 HydrophobicContact CG1-CZ 3.92Å; F55-Q75 CarbonylContact C-O 3.59Å; F55-Q75 WeakPolarHBondContact CA-O 3.35Å; F55-Q75 HydrophobicContact CD1-CB 3.59Å; F55-Q75 HydrophobicContact CE1-CB 3.52Å; F55-Q75 HydrophobicContact CE1-CG 4.35Å; F55-Q75 HydrophobicContact CG-CB 4.15Å; F55-Q75 HydrophobicContact CZ-CB 4Å; F55-Q75 HydrophobicContact CZ-CG 4.37Å; F55-D76 VanDerWaalsContact CD1-O 3.31Å; F55-D76 WeakPolarHBondContact CD1-O 3.24Å; F55-A77 HydrophobicContact CB-CB 4.09Å; F55-A82 HydrophobicContact CE1-CB 3.95Å; F55-A82 HydrophobicContact CZ-CB 4.34Å; F55-L83 HydrophobicContact CD1-CD2 3.97Å; F55-L83 HydrophobicContact CE1-CD2 3.6Å; F55-L83 HydrophobicContact CE1-CG 4.09Å; F55-L83 HydrophobicContact CE2-CD2 4.36Å; F55-L83 HydrophobicContact CG-CD2 4.47Å; F55-L83 HydrophobicContact CZ-CD2 3.84Å; F55-L86 HydrophobicContact CE2-CD1 3.67Å; F55-L86 HydrophobicContact CE2-CD2 4.34Å; F55-L86 HydrophobicContact CZ-CD1 3.78Å; F55-L86 HydrophobicContact CZ-CG 4.45Å
56S97.1Very high94.9Very high7 Ų749.7 Ų49.75%0.04930%0.301CS..EExtended strand (participates in β ladder)trans-142.7146177.5-169.70000110.9S58 Q59 Q75 A77S56-S58 PolarHBondContact OG-N 3.09Å; S56-Q59 WeakPolarHBondContact OG-CB 3.18Å; S56-Q59 PolarHBondContact OG-N 3.06Å; S56-Q75 PolarHBondContact N-O 3.4Å; S56-A77 PolarHBondContact O-N 3.41Å; S56-A77 VanDerWaalsContact O-N 3.14Å
57T93.8Very high94.3Very high59 Ų5953 Ų5336%0.36232%0.315SS..SBendtrans-92.2-7.8172.658.60000112.7A77 F78T57-A77 HydrophobicContact CG2-CB 3.87Å; T57-F78 HydrophobicContact CG2-CE2 3.67Å; T57-F78 HydrophobicContact CG2-CZ 4.11Å
58S95Very high93.3Very high85 Ų8552.3 Ų52.359%0.59431%0.312SS*.SBendtrans-145.2-11.8-170.351.70000115.8S56S56-S58 PolarHBondContact OG-N 3.09Å
59Q94.6Very high92.5Very high53 Ų5350.4 Ų50.425%0.24832%0.32CS..  trans-129.329.6-175.5-65.4-175.1-36.400112.3S56 Q62 L74S56-Q59 WeakPolarHBondContact OG-CB 3.18Å; S56-Q59 PolarHBondContact OG-N 3.06Å; Q59-Q62 HydrophobicContact CB-CG 4.4Å; Q59-Q62 WeakPolarHBondContact O-CB 3.38Å; Q59-Q62 PolarHBondContact O-N 3.45Å; Q59-L74 HydrophobicContact CB-CD1 4.03Å; Q59-L74 WeakPolarHBondContact O-CD1 3.41Å
60L93Very high91.7Very high103 Ų10351.9 Ų51.954%0.53933%0.327SS..THydrogen-bonded Turntrans-51.4144.9175.459.486.4000111.4Q62 D76L60-Q62 VanDerWaalsContact C-N 3.25Å; L60-Q62 PolarHBondContact O-N 3.44Å; L60-D76 HydrophobicContact CD2-CB 4.44Å
61G93.9Very high90.7Very high57 Ų5758.9 Ų58.959%0.58837%0.37SS*.THydrogen-bonded Turntrans80.9-11.9-179.700000115.8T73 L74G61-T73 VanDerWaalsContact C-CG2 3.46Å; G61-T73 VanDerWaalsContact CA-CG2 3.44Å; G61-T73 WeakPolarHBondContact O-CG2 3.42Å; G61-L74 PolarHBondContact N-O 2.91Å
62Q95.1Very high90.3Very high104 Ų10454.2 Ų54.249%0.48636%0.362SS..SBendtrans-76.8166.7173-60.3-17321.900111.7Q59 L60 T73 L74Q59-Q62 HydrophobicContact CB-CG 4.4Å; Q59-Q62 WeakPolarHBondContact O-CB 3.38Å; Q59-Q62 PolarHBondContact O-N 3.45Å; L60-Q62 VanDerWaalsContact C-N 3.25Å; L60-Q62 PolarHBondContact O-N 3.44Å; Q62-T73 CarbonylContact O-C 3.47Å; Q62-T73 WeakPolarHBondContact O-CA 3.49Å; Q62-T73 WeakPolarHBondContact O-CG2 3.47Å; Q62-L74 HydrophobicContact CB-CD1 4.22Å; Q62-L74 PolarHBondContact O-N 3.43Å
63A94.5Very high90.2Very high85 Ų8557.1 Ų57.170%0.70238%0.38SS*.BIsolated β-bridgetrans-62.7138.9177.300000111.7
64A93.1Very high90.2Very high14 Ų1455.5 Ų55.512%0.11637%0.37CS..PPolyproline II helixtrans-66.5156.3170.900000111.2F54 G72 L74F54-A64 HydrophobicContact CD2-CB 4Å; A64-G72 WeakPolarHBondContact CB-O 3.5Å; A64-G72 PolarHBondContact N-O 2.96Å; A64-L74 HydrophobicContact CB-CD2 4.4Å
65P91.4Very high90.2Very high17 Ų1758.8 Ų58.811%0.1139%0.385CS..PPolyproline II helixtrans-64.3136.5-179.5-20.834.5000112.5W29 F54 F67 G68W29-P65 HydrophobicContact CD2-CG 4.45Å; W29-P65 HydrophobicContact CE3-CG 4.01Å; W29-P65 HydrophobicContact CH2-CB 4.47Å; W29-P65 HydrophobicContact CH2-CG 3.25Å; W29-P65 HydrophobicContact CZ2-CG 3.74Å; W29-P65 HydrophobicContact CZ3-CB 4.35Å; W29-P65 HydrophobicContact CZ3-CG 3.39Å; F54-P65 HydrophobicContact CD1-CG 4.15Å; F54-P65 HydrophobicContact CE1-CG 4.33Å; F54-P65 HydrophobicContact CG-CG 4.28Å; P65-F67 HydrophobicContact CB-CD1 3.62Å; P65-F67 HydrophobicContact CB-CD2 4.36Å; P65-F67 HydrophobicContact CB-CE1 3.21Å; P65-F67 HydrophobicContact CB-CE2 3.99Å; P65-F67 HydrophobicContact CB-CG 4.18Å; P65-F67 HydrophobicContact CB-CZ 3.41Å; P65-F67 VanDerWaalsContact CB-CZ 3.41Å; P65-F67 HydrophobicContact CG-CE1 3.95Å; P65-F67 HydrophobicContact CG-CE2 4.48Å; P65-F67 HydrophobicContact CG-CZ 3.77Å; P65-F67 PolarHBondContact O-N 3.16Å; P65-G68 PolarHBondContact O-N 3.09Å; P65-G68 VanDerWaalsContact O-N 3.15Å
66S87.6Confident90.2Very high111 Ų11161.4 Ų61.478%0.77640%0.399SS*.G310 helixtrans-61.9-28.8-178.253.90000113.9G68 G69S66-G68 PolarHBondContact O-N 3.2Å; S66-G68 VanDerWaalsContact O-N 3.16Å; S66-G69 PolarHBondContact O-N 3.31Å
67F86.2Confident90.2Very high75 Ų7561.1 Ų61.133%0.32940%0.397SS..G310 helixtrans-65.1-16.1179.163.3-111.1000113.6W29 M38 V42 F47 F54 P65 G69W29-F67 HydrophobicContact CE3-CZ 4.13Å; W29-F67 HydrophobicContact CZ3-CZ 4.31Å; M38-F67 HydrophobicContact CB-CE2 4.08Å; M38-F67 HydrophobicContact CB-CZ 3.96Å; M38-F67 HydrophobicContact CG-CE2 3.99Å; M38-F67 HydrophobicContact CG-CZ 3.76Å; M38-F67 HydrophobicContact SD-CE2 3.51Å; M38-F67 VanDerWaalsContact SD-CE2 3.51Å; M38-F67 HydrophobicContact SD-CZ 3.79Å; V42-F67 HydrophobicContact CG2-CB 3.79Å; V42-F67 HydrophobicContact CG2-CD2 4.2Å; V42-F67 HydrophobicContact CG2-CG 4.16Å; F47-F67 HydrophobicContact CD2-CD2 4.34Å; F47-F67 WeakPolarHBondContact CD2-O 3.47Å; F47-F67 AromaticContact CE2-CD2 3.64Å; F47-F67 HydrophobicContact CE2-CD2 3.64Å; F47-F67 HydrophobicContact CE2-CE2 4.04Å; F47-F67 AromaticContact CZ-CD2 3.84Å; F47-F67 HydrophobicContact CZ-CD2 3.84Å; F47-F67 AromaticContact CZ-CE2 3.79Å; F47-F67 HydrophobicContact CZ-CE2 3.79Å; F54-F67 AromaticContact CE1-CE2 3.7Å; F54-F67 HydrophobicContact CE1-CE2 3.7Å; F54-F67 HydrophobicContact CE1-CZ 4.13Å; F54-F67 HydrophobicContact CZ-CD2 4.35Å; F54-F67 AromaticContact CZ-CE2 3.72Å; F54-F67 HydrophobicContact CZ-CE2 3.72Å; F54-F67 HydrophobicContact CZ-CZ 4.46Å; P65-F67 HydrophobicContact CB-CD1 3.62Å; P65-F67 HydrophobicContact CB-CD2 4.36Å; P65-F67 HydrophobicContact CB-CE1 3.21Å; P65-F67 HydrophobicContact CB-CE2 3.99Å; P65-F67 HydrophobicContact CB-CG 4.18Å; P65-F67 HydrophobicContact CB-CZ 3.41Å; P65-F67 VanDerWaalsContact CB-CZ 3.41Å; P65-F67 HydrophobicContact CG-CE1 3.95Å; P65-F67 HydrophobicContact CG-CE2 4.48Å; P65-F67 HydrophobicContact CG-CZ 3.77Å; P65-F67 PolarHBondContact O-N 3.16Å; F67-G69 PolarHBondContact O-N 3.02Å
68G73.9Confident90.4Very high2 Ų262.1 Ų62.12%0.02140%0.397CS..G310 helixtrans-78.6-3.1173.900000114P52 P65 S66 T70P52-G68 WeakPolarHBondContact CG-O 3.41Å; P65-G68 PolarHBondContact O-N 3.09Å; P65-G68 VanDerWaalsContact O-N 3.15Å; S66-G68 PolarHBondContact O-N 3.2Å; S66-G68 VanDerWaalsContact O-N 3.16Å; G68-T70 PolarHBondContact O-N 3.38Å; G68-T70 VanDerWaalsContact O-N 3.14Å
69G78.1Confident90.6Very high75 Ų7561.3 Ų61.377%0.77339%0.386SS*.SBendtrans69.57.6178.300000115.1S66 F67S66-G69 PolarHBondContact O-N 3.31Å; F67-G69 PolarHBondContact O-N 3.02Å
70T75.7Confident90.8Very high52 Ų5261.1 Ų61.132%0.31939%0.386SS..  trans-117.3151.3179.468.70000111.5P52 G68 G72P52-T70 HydrophobicContact CG-CG2 4.04Å; G68-T70 PolarHBondContact O-N 3.38Å; G68-T70 VanDerWaalsContact O-N 3.14Å; T70-G72 PolarHBondContact O-N 3.39Å
71T76.5Confident91Very high155 Ų15562 Ų6295%0.95139%0.388SS*.  trans-94.338.4172.157.80000111.2
72G87Confident91.2Very high31 Ų3160.3 Ų60.332%0.3237%0.367SS..  trans-79.1179.6-17400000114.4A64 T70A64-G72 WeakPolarHBondContact CB-O 3.5Å; A64-G72 PolarHBondContact N-O 2.96Å; T70-G72 PolarHBondContact O-N 3.39Å
73T94.3Very high91.4Very high71 Ų7155.3 Ų55.344%0.43634%0.344SS..BIsolated β-bridgetrans-113.9144.5175.1-56.50000109.7G61 Q62 Q75G61-T73 VanDerWaalsContact C-CG2 3.46Å; G61-T73 VanDerWaalsContact CA-CG2 3.44Å; G61-T73 WeakPolarHBondContact O-CG2 3.42Å; Q62-T73 CarbonylContact O-C 3.47Å; Q62-T73 WeakPolarHBondContact O-CA 3.49Å; Q62-T73 WeakPolarHBondContact O-CG2 3.47Å; T73-Q75 PolarHBondContact O-N 3.41Å; T73-Q75 PolarHBondContact O-NE2 2.96Å
74L96.9Very high91.5Very high6 Ų654.7 Ų54.73%0.03133%0.326CS..PPolyproline II helixtrans-63.2119.1172.7-65-175.2000110.4W29 F54 Q59 G61 Q62 A64W29-L74 HydrophobicContact CZ2-CD1 4.24Å; W29-L74 HydrophobicContact CZ2-CD2 3.79Å; F54-L74 HydrophobicContact CB-CD2 3.51Å; F54-L74 WeakPolarHBondContact O-CA 3.34Å; Q59-L74 HydrophobicContact CB-CD1 4.03Å; Q59-L74 WeakPolarHBondContact O-CD1 3.41Å; G61-L74 PolarHBondContact N-O 2.91Å; Q62-L74 HydrophobicContact CB-CD1 4.22Å; Q62-L74 PolarHBondContact O-N 3.43Å; A64-L74 HydrophobicContact CB-CD2 4.4Å
75Q97.8Very high91.8Very high71 Ų7157.5 Ų57.533%0.33235%0.349SS..EExtended strand (participates in β ladder)trans-82.6160.4177.9-55.5-55.6-60.200111.1V53 F54 F55 S56 T73 A77V53-Q75 HydrophobicContact CG1-CB 4.5Å; V53-Q75 HydrophobicContact CG1-CG 3.59Å; F54-Q75 PolarHBondContact O-N 2.81Å; F55-Q75 CarbonylContact C-O 3.59Å; F55-Q75 WeakPolarHBondContact CA-O 3.35Å; F55-Q75 HydrophobicContact CD1-CB 3.59Å; F55-Q75 HydrophobicContact CE1-CB 3.52Å; F55-Q75 HydrophobicContact CE1-CG 4.35Å; F55-Q75 HydrophobicContact CG-CB 4.15Å; F55-Q75 HydrophobicContact CZ-CB 4Å; F55-Q75 HydrophobicContact CZ-CG 4.37Å; S56-Q75 PolarHBondContact N-O 3.4Å; T73-Q75 PolarHBondContact O-N 3.41Å; T73-Q75 PolarHBondContact O-NE2 2.96Å; Q75-A77 PolarHBondContact O-N 3.38Å
76D98.2Very high92.1Very high57 Ų5757.2 Ų57.231%0.30535%0.346SS..EExtended strand (participates in β ladder)trans-76.6120175.4-174-11.8000110.4F55 L60 F78 D79F55-D76 VanDerWaalsContact CD1-O 3.31Å; F55-D76 WeakPolarHBondContact CD1-O 3.24Å; L60-D76 HydrophobicContact CD2-CB 4.44Å; D76-F78 PolarHBondContact O-N 3.47Å; D76-F78 VanDerWaalsContact O-N 3.09Å; D76-F78 PolarHBondContact OD1-N 3.07Å; D76-D79 HydrophobicContact CB-CB 3.97Å; D76-D79 PolarHBondContact O-N 3.03Å; D76-D79 VanDerWaalsContact O-N 3.12Å
77A98.2Very high92.6Very high0 Ų054.4 Ų54.40%032%0.323CS..THydrogen-bonded Turntrans-61.6-14.5178.700000113.9I27 F55 S56 T57 Q75 Y97I27-A77 HydrophobicContact CG2-CB 4.11Å; F55-A77 HydrophobicContact CB-CB 4.09Å; S56-A77 PolarHBondContact O-N 3.41Å; S56-A77 VanDerWaalsContact O-N 3.14Å; T57-A77 HydrophobicContact CG2-CB 3.87Å; Q75-A77 PolarHBondContact O-N 3.38Å; A77-Y97 HydrophobicContact CB-CE2 3.94Å; A77-Y97 VanDerWaalsContact O-CE2 3.28Å; A77-Y97 WeakPolarHBondContact O-CE2 3.36Å; A77-Y97 PolarHBondContact O-OH 2.84Å
78F98.3Very high93.2Very high81 Ų8150.9 Ų50.936%0.35531%0.308SS..THydrogen-bonded Turntrans-105.4-0.9178.2-59-88.5000113.6T57 D76 L80 Y97 I101T57-F78 HydrophobicContact CG2-CE2 3.67Å; T57-F78 HydrophobicContact CG2-CZ 4.11Å; D76-F78 PolarHBondContact O-N 3.47Å; D76-F78 VanDerWaalsContact O-N 3.09Å; D76-F78 PolarHBondContact OD1-N 3.07Å; F78-L80 PolarHBondContact O-N 2.79Å; F78-Y97 HydrophobicContact CD1-CE2 4.4Å; F78-Y97 AromaticContact CE1-CD2 3.97Å; F78-Y97 HydrophobicContact CE1-CD2 3.97Å; F78-Y97 HydrophobicContact CE1-CE2 4.15Å; F78-Y97 HydrophobicContact CZ-CD2 4.12Å; F78-Y97 HydrophobicContact CZ-CE2 4.39Å; F78-I101 HydrophobicContact CB-CD1 4.41Å; F78-I101 HydrophobicContact CD1-CD1 3.83Å; F78-I101 HydrophobicContact CD1-CG1 4.05Å; F78-I101 HydrophobicContact CE1-CG1 4.47Å
79D98.3Very high94.4Very high68 Ų6850.8 Ų50.836%0.36431%0.307SS..  trans-78.7104.6175.5179.7-1000111D76 E81 A82 L83D76-D79 HydrophobicContact CB-CB 3.97Å; D76-D79 PolarHBondContact O-N 3.03Å; D76-D79 VanDerWaalsContact O-N 3.12Å; D79-E81 VanDerWaalsContact C-N 3.31Å; D79-E81 PolarHBondContact O-N 3.05Å; D79-E81 PolarHBondContact OD1-N 3.15Å; D79-A82 HydrophobicContact CB-CB 4.02Å; D79-A82 PolarHBondContact O-N 3.26Å; D79-A82 PolarHBondContact OD1-N 3.1Å; D79-L83 VanDerWaalsContact O-CG 3.28Å; D79-L83 WeakPolarHBondContact O-CG 3.47Å; D79-L83 PolarHBondContact O-N 2.68Å
80L98Very high95.4Very high49 Ų4947.3 Ų47.326%0.25727%0.27SS..Hα-helixtrans-63.7-32.4-179.2-65.6178.4000113.1F78 L83 K84 I101 K104 L105F78-L80 PolarHBondContact O-N 2.79Å; L80-L83 HydrophobicContact CD2-CD1 4.39Å; L80-L83 PolarHBondContact O-N 3Å; L80-K84 WeakPolarHBondContact O-CB 3.46Å; L80-K84 WeakPolarHBondContact O-CD 3.42Å; L80-K84 WeakPolarHBondContact O-CG 3.49Å; L80-K84 PolarHBondContact O-N 3.3Å; L80-I101 HydrophobicContact CD2-CD1 4.32Å; L80-K104 HydrophobicContact CD1-CB 3.97Å; L80-K104 HydrophobicContact CD2-CB 4.04Å; L80-L105 HydrophobicContact CD2-CB 4.38Å; L80-L105 HydrophobicContact CD2-CD1 4.3Å
81E97.9Very high96.5Very high122 Ų12244.9 Ų44.957%0.5726%0.255SS*.Hα-helixtrans-71.6-40179.8-65.9-54.2129.900111D79 L83 K84 A85D79-E81 VanDerWaalsContact C-N 3.31Å; D79-E81 PolarHBondContact O-N 3.05Å; D79-E81 PolarHBondContact OD1-N 3.15Å; E81-L83 VanDerWaalsContact C-N 3.32Å; E81-L83 PolarHBondContact O-N 3.14Å; E81-K84 PolarHBondContact O-N 3.16Å; E81-K84 IonicContact OE1-NZ 2.92Å; E81-K84 PolarHBondContact OE1-NZ 3.2Å; E81-K84 IonicContact OE2-NZ 2.6Å; E81-K84 PolarHBondContact OE2-NZ 3.39Å; E81-A85 PolarHBondContact O-N 3Å
82A97.9Very high97.5Very high20 Ų2038.4 Ų38.417%0.16522%0.216CC..Hα-helixtrans-62.2-39.9172.600000112F55 D79F55-A82 HydrophobicContact CE1-CB 3.95Å; F55-A82 HydrophobicContact CZ-CB 4.34Å; D79-A82 HydrophobicContact CB-CB 4.02Å; D79-A82 PolarHBondContact O-N 3.26Å; D79-A82 PolarHBondContact OD1-N 3.1Å
83L98.6Very high98Very high0 Ų040.7 Ų40.70%022%0.218CC..Hα-helixtrans-69.2-40176.9-67170.5000112.5I27 F55 D79 L80 E81 A85 L86 I89 I101 L105I27-L83 HydrophobicContact CD1-CD2 4.01Å; F55-L83 HydrophobicContact CD1-CD2 3.97Å; F55-L83 HydrophobicContact CE1-CD2 3.6Å; F55-L83 HydrophobicContact CE1-CG 4.09Å; F55-L83 HydrophobicContact CE2-CD2 4.36Å; F55-L83 HydrophobicContact CG-CD2 4.47Å; F55-L83 HydrophobicContact CZ-CD2 3.84Å; D79-L83 VanDerWaalsContact O-CG 3.28Å; D79-L83 WeakPolarHBondContact O-CG 3.47Å; D79-L83 PolarHBondContact O-N 2.68Å; L80-L83 HydrophobicContact CD2-CD1 4.39Å; L80-L83 PolarHBondContact O-N 3Å; E81-L83 VanDerWaalsContact C-N 3.32Å; E81-L83 PolarHBondContact O-N 3.14Å; L83-A85 PolarHBondContact O-N 3.37Å; L83-L86 HydrophobicContact CD2-CD1 4.21Å; L83-L86 WeakPolarHBondContact O-CB 3.36Å; L83-L86 WeakPolarHBondContact O-CG 3.03Å; L83-L86 PolarHBondContact O-N 2.93Å; L83-L86 VanDerWaalsContact O-N 3.14Å; L83-I89 HydrophobicContact CB-CD1 4.27Å; L83-I89 HydrophobicContact CD2-CD1 3.99Å; L83-I101 HydrophobicContact CD1-CG2 3.64Å; L83-L105 HydrophobicContact CB-CD1 3.76Å; L83-L105 HydrophobicContact CB-CD2 4.16Å
84K98.4Very high98.1Very high71 Ų7138.7 Ų38.731%0.30921%0.212SC..Hα-helixtrans-62.3-25.4179-77.316270.2-157.90113.4L80 E81 L86 L105 S108 W110L80-K84 WeakPolarHBondContact O-CB 3.46Å; L80-K84 WeakPolarHBondContact O-CD 3.42Å; L80-K84 WeakPolarHBondContact O-CG 3.49Å; L80-K84 PolarHBondContact O-N 3.3Å; E81-K84 PolarHBondContact O-N 3.16Å; E81-K84 IonicContact OE1-NZ 2.92Å; E81-K84 PolarHBondContact OE1-NZ 3.2Å; E81-K84 IonicContact OE2-NZ 2.6Å; E81-K84 PolarHBondContact OE2-NZ 3.39Å; K84-L86 PolarHBondContact O-N 2.89Å; K84-L105 HydrophobicContact CG-CD1 3.7Å; K84-S108 WeakPolarHBondContact CD-OG 3.11Å; K84-S108 WeakPolarHBondContact CG-OG 3.29Å; K84-W110 HydrophobicContact CG-CB 4.33Å
85A98Very high98.1Very high74 Ų7439.4 Ų39.461%0.61222%0.221SC*.THydrogen-bonded Turntrans-73.3-8.1178.200000114E81 L83E81-A85 PolarHBondContact O-N 3Å; L83-A85 PolarHBondContact O-N 3.37Å
86L98.3Very high98Very high10 Ų1042.7 Ų42.75%0.05224%0.241CC..  trans-90.6145.8-176.3-55.4169.6000112N23 V53 F55 L83 K84 I89 W110N23-L86 HydrophobicContact CB-CD2 4.39Å; V53-L86 HydrophobicContact CB-CD2 3.95Å; V53-L86 HydrophobicContact CG1-CD2 4.49Å; V53-L86 HydrophobicContact CG2-CD2 3.86Å; F55-L86 HydrophobicContact CE2-CD1 3.67Å; F55-L86 HydrophobicContact CE2-CD2 4.34Å; F55-L86 HydrophobicContact CZ-CD1 3.78Å; F55-L86 HydrophobicContact CZ-CG 4.45Å; L83-L86 HydrophobicContact CD2-CD1 4.21Å; L83-L86 WeakPolarHBondContact O-CB 3.36Å; L83-L86 WeakPolarHBondContact O-CG 3.03Å; L83-L86 PolarHBondContact O-N 2.93Å; L83-L86 VanDerWaalsContact O-N 3.14Å; K84-L86 PolarHBondContact O-N 2.89Å; L86-I89 HydrophobicContact CB-CG1 4.27Å; L86-I89 HydrophobicContact CD1-CD1 4Å; L86-I89 HydrophobicContact CD1-CG1 3.49Å; L86-I89 VanDerWaalsContact CD1-CG1 3.49Å; L86-W110 PolarHBondContact O-NE1 2.98Å
87D98.3Very high98Very high53 Ų5340.5 Ų40.528%0.28323%0.229SC..SBendtrans-79.6-36.6169.6-63.5-81.5000111.3K22 N23 G112 Y113K22-D87 HydrophobicContact CB-CB 4.05Å; K22-D87 HydrophobicContact CD-CB 3.83Å; K22-D87 HydrophobicContact CG-CB 4.44Å; K22-D87 IonicContact NZ-OD1 3.95Å; N23-D87 PolarHBondContact N-OD2 3.12Å; N23-D87 PolarHBondContact ND2-OD2 2.79Å; N23-D87 VanDerWaalsContact ND2-OD2 3.12Å; N23-D87 PolarHBondContact O-N 2.84Å; D87-G112 CarbonylContact O-C 3.59Å; D87-G112 VanDerWaalsContact O-CA 3.24Å; D87-G112 WeakPolarHBondContact O-CA 3.21Å; D87-Y113 PolarHBondContact O-N 3.04Å
88I98.7Very high98Very high1 Ų140.5 Ų40.51%0.00523%0.229CC..EExtended strand (participates in β ladder)trans-138.3140.8-175.3-50.8176000109.1K22 N23 V24 G25 V90 Y113 I115 L383 L386K22-I88 HydrophobicContact CB-CD1 4.19Å; K22-I88 HydrophobicContact CG-CD1 4.36Å; N23-I88 PolarHBondContact O-N 3.2Å; V24-I88 CarbonylContact C-O 3.57Å; V24-I88 VanDerWaalsContact CA-O 3.31Å; V24-I88 WeakPolarHBondContact CA-O 3.24Å; V24-I88 HydrophobicContact CG1-CB 4.17Å; V24-I88 HydrophobicContact CG1-CG2 4.26Å; V24-I88 HydrophobicContact CG2-CB 4.17Å; V24-I88 HydrophobicContact CG2-CD1 4.28Å; G25-I88 PolarHBondContact N-O 3.3Å; I88-V90 HydrophobicContact CG2-CG2 4.3Å; I88-Y113 CarbonylContact C-O 3.5Å; I88-Y113 WeakPolarHBondContact CA-O 3.48Å; I88-Y113 HydrophobicContact CG1-CD2 4.1Å; I88-I115 HydrophobicContact CG2-CD1 3.96Å; I88-I115 HydrophobicContact CG2-CG1 4.44Å; I88-L383 HydrophobicContact CD1-CD1 3.79Å; I88-L383 HydrophobicContact CG2-CD1 4.01Å; I88-L386 HydrophobicContact CD1-CB 3.6Å; I88-L386 HydrophobicContact CD1-CD1 4.21Å
89I98.9Very high98Very high0 Ų041.1 Ų41.10%024%0.236CC..EExtended strand (participates in β ladder)trans-120.2127.7169.7-70.6170.1000108.6G25 I27 L83 L86 L105 W110 Y113 W114 I115G25-I89 WeakPolarHBondContact O-CA 3.42Å; I27-I89 HydrophobicContact CD1-CG2 3.46Å; I27-I89 VanDerWaalsContact CD1-CG2 3.46Å; L83-I89 HydrophobicContact CB-CD1 4.27Å; L83-I89 HydrophobicContact CD2-CD1 3.99Å; L86-I89 HydrophobicContact CB-CG1 4.27Å; L86-I89 HydrophobicContact CD1-CD1 4Å; L86-I89 HydrophobicContact CD1-CG1 3.49Å; L86-I89 VanDerWaalsContact CD1-CG1 3.49Å; I89-L105 HydrophobicContact CD1-CD2 3.42Å; I89-L105 VanDerWaalsContact CD1-CD2 3.42Å; I89-W110 HydrophobicContact CB-CH2 4.13Å; I89-W110 HydrophobicContact CD1-CH2 3.66Å; I89-W110 HydrophobicContact CD1-CZ2 3.73Å; I89-W110 HydrophobicContact CD1-CZ3 4.22Å; I89-W110 HydrophobicContact CG1-CH2 3.93Å; I89-W110 HydrophobicContact CG1-CZ2 3.93Å; I89-Y113 PolarHBondContact N-O 2.71Å; I89-W114 HydrophobicContact CB-CE3 3.97Å; I89-W114 HydrophobicContact CB-CZ3 4.33Å; I89-W114 HydrophobicContact CD1-CE3 4.03Å; I89-W114 HydrophobicContact CD1-CZ3 3.94Å; I89-W114 HydrophobicContact CG2-CD2 4.42Å; I89-W114 HydrophobicContact CG2-CE3 3.77Å; I89-W114 HydrophobicContact CG2-CH2 4.39Å; I89-W114 HydrophobicContact CG2-CZ3 3.75Å; I89-I115 PolarHBondContact O-N 3.16Å
90V98.9Very high98.1Very high2 Ų242 Ų421%0.01224%0.237CC..EExtended strand (participates in β ladder)trans-113.2113.4170.5-171.50000108.8V24 G25 F26 I27 L37 I88 I115 L379 L383V24-V90 HydrophobicContact CG1-CG2 4.08Å; G25-V90 PolarHBondContact O-N 3.2Å; F26-V90 WeakPolarHBondContact CA-O 3.42Å; F26-V90 HydrophobicContact CD1-CB 4.03Å; F26-V90 HydrophobicContact CE1-CB 4.07Å; F26-V90 HydrophobicContact CE1-CG2 4.11Å; I27-V90 PolarHBondContact N-O 3.33Å; L37-V90 HydrophobicContact CD2-CG1 3.74Å; I88-V90 HydrophobicContact CG2-CG2 4.3Å; V90-I115 CarbonylContact C-O 3.49Å; V90-I115 WeakPolarHBondContact CA-O 3.48Å; V90-I115 HydrophobicContact CG1-CB 4.45Å; V90-I115 HydrophobicContact CG1-CG2 4.24Å; V90-I115 HydrophobicContact CG2-CB 4.19Å; V90-I115 HydrophobicContact CG2-CD1 4.19Å; V90-L379 HydrophobicContact CG1-CB 4.23Å; V90-L383 HydrophobicContact CG2-CB 4.48Å; V90-L383 HydrophobicContact CG2-CD1 4.43Å; V90-L383 HydrophobicContact CG2-CD2 4.26Å
91T98.8Very high98.1Very high0 Ų039.7 Ų39.70%023%0.225CC..EExtended strand (participates in β ladder)trans-115.6133.7-178.3-178.60000112.8I27 Q93 W114 I115 D116 A117I27-T91 WeakPolarHBondContact O-CA 3.15Å; T91-Q93 PolarHBondContact OG1-N 2.96Å; T91-W114 HydrophobicContact CG2-CH2 4.3Å; T91-W114 HydrophobicContact CG2-CZ2 3.56Å; T91-I115 PolarHBondContact N-O 2.97Å; T91-D116 HydrophobicContact CG2-CB 3.97Å; T91-D116 VanDerWaalsContact CG2-CG 3.4Å; T91-D116 WeakPolarHBondContact CG2-OD1 3.4Å; T91-A117 PolarHBondContact O-N 3.34Å; T91-A117 VanDerWaalsContact O-N 3.09Å
92C98.5Very high98.1Very high19 Ų1934.8 Ų34.813%0.12820%0.202CC..  trans-122.319.3171.4-670000111.1I27 V33I27-C92 PolarHBondContact O-N 3.3Å; V33-C92 HydrophobicContact CB-CB 4.41Å; V33-C92 HydrophobicContact CG1-CB 4.28Å
93Q97.5Very high98.2Very high79 Ų7936.2 Ų36.237%0.36921%0.21SC..SBendtrans-79.8-30.6-171.5-175.262.541.400113.4I27 T91 Y97I27-Q93 HydrophobicContact CG2-CB 3.94Å; I27-Q93 HydrophobicContact CG2-CG 4.32Å; T91-Q93 PolarHBondContact OG1-N 2.96Å; Q93-Y97 HydrophobicContact CB-CD1 4.04Å; Q93-Y97 HydrophobicContact CB-CG 3.98Å; Q93-Y97 HydrophobicContact CG-CD1 4.24Å; Q93-Y97 HydrophobicContact CG-CD2 4.07Å; Q93-Y97 HydrophobicContact CG-CG 3.67Å
94G95.7Very high98.2Very high29 Ų2940.5 Ų40.530%0.29923%0.228SC..  trans117.4171.4177.200000113.8D96 Y97 T98G94-D96 VanDerWaalsContact C-N 3.35Å; G94-D96 PolarHBondContact O-N 3.19Å; G94-Y97 PolarHBondContact O-N 2.78Å; G94-T98 PolarHBondContact O-N 3.46Å; G94-T98 PolarHBondContact O-OG1 3.09Å
95G95.9Very high98.2Very high22 Ų2237.1 Ų37.123%0.22721%0.213CC..Hα-helixtrans-63.8-33.4-168.500000114.9T98 N99 S120G95-T98 PolarHBondContact O-N 2.92Å; G95-N99 WeakPolarHBondContact O-CB 3.34Å; G95-N99 PolarHBondContact O-N 2.76Å; G95-N99 PolarHBondContact O-ND2 2.6Å; G95-N99 VanDerWaalsContact O-ND2 3.16Å; G95-S120 WeakPolarHBondContact CA-OG 3.34Å; G95-S120 PolarHBondContact O-OG 3.28Å
96D96.9Very high98.2Very high140 Ų14036.1 Ų36.175%0.74919%0.194SC*.Hα-helixtrans-64-44.4179.3-63-19.8000111.2G94 N99 E100G94-D96 VanDerWaalsContact C-N 3.35Å; G94-D96 PolarHBondContact O-N 3.19Å; D96-N99 PolarHBondContact O-N 2.77Å; D96-E100 PolarHBondContact O-N 2.79Å; D96-E100 VanDerWaalsContact O-N 3.09Å
97Y98.4Very high98.2Very high11 Ų1143.3 Ų43.34%0.04323%0.227CC..Hα-helixtrans-61.8-45.9175.1176.9-93.8000111.5I27 A77 F78 Q93 G94 E100 I101 W114I27-Y97 HydrophobicContact CB-CE1 4.38Å; I27-Y97 HydrophobicContact CD1-CE1 3.79Å; I27-Y97 VanDerWaalsContact CD1-OH 3.28Å; I27-Y97 WeakPolarHBondContact CD1-OH 3.38Å; I27-Y97 HydrophobicContact CG2-CD1 4.24Å; I27-Y97 HydrophobicContact CG2-CE1 3.73Å; I27-Y97 HydrophobicContact CG2-CE2 4.14Å; A77-Y97 HydrophobicContact CB-CE2 3.94Å; A77-Y97 VanDerWaalsContact O-CE2 3.28Å; A77-Y97 WeakPolarHBondContact O-CE2 3.36Å; A77-Y97 PolarHBondContact O-OH 2.84Å; F78-Y97 HydrophobicContact CD1-CE2 4.4Å; F78-Y97 AromaticContact CE1-CD2 3.97Å; F78-Y97 HydrophobicContact CE1-CD2 3.97Å; F78-Y97 HydrophobicContact CE1-CE2 4.15Å; F78-Y97 HydrophobicContact CZ-CD2 4.12Å; F78-Y97 HydrophobicContact CZ-CE2 4.39Å; Q93-Y97 HydrophobicContact CB-CD1 4.04Å; Q93-Y97 HydrophobicContact CB-CG 3.98Å; Q93-Y97 HydrophobicContact CG-CD1 4.24Å; Q93-Y97 HydrophobicContact CG-CD2 4.07Å; Q93-Y97 HydrophobicContact CG-CG 3.67Å; G94-Y97 PolarHBondContact O-N 2.78Å; Y97-E100 PolarHBondContact O-N 3.1Å; Y97-I101 HydrophobicContact CD2-CG1 4.11Å; Y97-I101 HydrophobicContact CE1-CB 4.23Å; Y97-I101 HydrophobicContact CE1-CG1 4.43Å; Y97-I101 HydrophobicContact CE1-CG2 4.37Å; Y97-I101 HydrophobicContact CE2-CB 4.28Å; Y97-I101 HydrophobicContact CE2-CG1 3.58Å; Y97-I101 PolarHBondContact O-N 3.37Å; Y97-W114 AromaticContact CE1-CH2 3.93Å; Y97-W114 HydrophobicContact CE1-CH2 3.93Å
98T98.6Very high98.2Very high0 Ų043.1 Ų43.10%023%0.23CC..Hα-helixtrans-61.2-46.7177.3-60.70000111.5G94 G95 E100 Y102 P103 W114 D116 L121G94-T98 PolarHBondContact O-N 3.46Å; G94-T98 PolarHBondContact O-OG1 3.09Å; G95-T98 PolarHBondContact O-N 2.92Å; T98-E100 PolarHBondContact O-N 3.23Å; T98-Y102 WeakPolarHBondContact O-CB 3.35Å; T98-Y102 PolarHBondContact O-N 2.78Å; T98-P103 WeakPolarHBondContact O-CD 3.29Å; T98-W114 HydrophobicContact CG2-CZ2 4.12Å; T98-D116 WeakPolarHBondContact CB-OD2 3.35Å; T98-D116 WeakPolarHBondContact CG2-OD2 2.87Å; T98-D116 PolarHBondContact OG1-OD2 2.77Å; T98-L121 HydrophobicContact CG2-CD1 3.55Å; T98-L121 HydrophobicContact CG2-CD2 4.31Å; T98-L121 HydrophobicContact CG2-CG 3.68Å
99N98.5Very high98.2Very high94 Ų9445.5 Ų45.550%0.50326%0.255SS..Hα-helixtrans-62.5-28.7-179.9-70.7-24.6000112.5G95 D96 P103 S120G95-N99 WeakPolarHBondContact O-CB 3.34Å; G95-N99 PolarHBondContact O-N 2.76Å; G95-N99 PolarHBondContact O-ND2 2.6Å; G95-N99 VanDerWaalsContact O-ND2 3.16Å; D96-N99 PolarHBondContact O-N 2.77Å; N99-P103 WeakPolarHBondContact O-CD 3.32Å; N99-S120 VanDerWaalsContact OD1-CB 3.26Å; N99-S120 WeakPolarHBondContact OD1-CB 3.34Å; N99-S120 PolarHBondContact OD1-OG 3.27Å
100E98.5Very high98.1Very high85 Ų8546.3 Ų46.340%0.39726%0.258SS..Hα-helixtrans-82.9-52.1177.1-175.1-178.5169.200113D96 Y97 T98 K104D96-E100 PolarHBondContact O-N 2.79Å; D96-E100 VanDerWaalsContact O-N 3.09Å; Y97-E100 PolarHBondContact O-N 3.1Å; T98-E100 PolarHBondContact O-N 3.23Å; E100-K104 VanDerWaalsContact CG-NZ 3.31Å; E100-K104 VanDerWaalsContact O-CD 3.28Å; E100-K104 WeakPolarHBondContact O-CD 3.27Å; E100-K104 WeakPolarHBondContact O-CE 3.19Å; E100-K104 WeakPolarHBondContact O-CG 3.46Å; E100-K104 IonicContact OE1-NZ 2.91Å; E100-K104 PolarHBondContact OE1-NZ 3.32Å
101I98.7Very high98.1Very high2 Ų253.8 Ų53.81%0.0129%0.293CS..Hα-helixtrans-88.8-39.1-167.5-70.6-59.2000112.7F78 L80 L83 Y97 K104 L105 W114F78-I101 HydrophobicContact CB-CD1 4.41Å; F78-I101 HydrophobicContact CD1-CD1 3.83Å; F78-I101 HydrophobicContact CD1-CG1 4.05Å; F78-I101 HydrophobicContact CE1-CG1 4.47Å; L80-I101 HydrophobicContact CD2-CD1 4.32Å; L83-I101 HydrophobicContact CD1-CG2 3.64Å; Y97-I101 HydrophobicContact CD2-CG1 4.11Å; Y97-I101 HydrophobicContact CE1-CB 4.23Å; Y97-I101 HydrophobicContact CE1-CG1 4.43Å; Y97-I101 HydrophobicContact CE1-CG2 4.37Å; Y97-I101 HydrophobicContact CE2-CB 4.28Å; Y97-I101 HydrophobicContact CE2-CG1 3.58Å; Y97-I101 PolarHBondContact O-N 3.37Å; I101-K104 PolarHBondContact O-N 3.41Å; I101-L105 WeakPolarHBondContact O-CB 3.35Å; I101-L105 PolarHBondContact O-N 3.39Å; I101-W114 HydrophobicContact CG2-CH2 4.24Å; I101-W114 HydrophobicContact CG2-CZ3 4.43Å
102Y98.8Very high98.1Very high18 Ų1854.3 Ų54.37%0.07130%0.298CS..Hα-helixtrans-58.2-47.8-174.7175.5-93.9000112.7T98 L105 R106 W114 L121 T149T98-Y102 WeakPolarHBondContact O-CB 3.35Å; T98-Y102 PolarHBondContact O-N 2.78Å; Y102-L105 PolarHBondContact O-N 3.48Å; Y102-R106 HydrophobicContact CD1-CG 4.37Å; Y102-R106 HydrophobicContact CD2-CG 4.31Å; Y102-R106 HydrophobicContact CE1-CG 3.97Å; Y102-R106 HydrophobicContact CE2-CG 3.92Å; Y102-R106 WeakPolarHBondContact O-CG 3.39Å; Y102-R106 PolarHBondContact O-N 2.87Å; Y102-R106 PolarHBondContact OH-NE 3.13Å; Y102-W114 HydrophobicContact CD2-CB 4.23Å; Y102-W114 AromaticContact CD2-CD1 3.9Å; Y102-W114 AromaticContact CD2-CD2 3.58Å; Y102-W114 HydrophobicContact CD2-CD2 3.58Å; Y102-W114 AromaticContact CD2-CE2 3.79Å; Y102-W114 HydrophobicContact CD2-CE3 4.03Å; Y102-W114 AromaticContact CD2-CG 3.66Å; Y102-W114 HydrophobicContact CD2-CG 3.66Å; Y102-W114 HydrophobicContact CD2-CZ2 4.39Å; Y102-W114 AromaticContact CD2-NE1 3.96Å; Y102-W114 HydrophobicContact CE2-CB 3.95Å; Y102-W114 HydrophobicContact CE2-CD2 4.22Å; Y102-W114 AromaticContact CE2-CG 3.82Å; Y102-W114 HydrophobicContact CE2-CG 3.82Å; Y102-L121 HydrophobicContact CD1-CD1 3.77Å; Y102-L121 HydrophobicContact CD1-CD2 3.8Å; Y102-L121 HydrophobicContact CD1-CG 4.45Å; Y102-L121 HydrophobicContact CD2-CD1 3.67Å; Y102-L121 HydrophobicContact CE1-CD1 3.9Å; Y102-L121 HydrophobicContact CE1-CD2 3.91Å; Y102-L121 HydrophobicContact CE2-CD1 3.78Å; Y102-L121 HydrophobicContact CG-CD1 3.66Å; Y102-L121 HydrophobicContact CG-CD2 4.44Å; Y102-T149 HydrophobicContact CE2-CG2 4.01Å; Y102-T149 WeakPolarHBondContact CE2-OG1 3.13Å; Y102-T149 PolarHBondContact OH-OG1 2.92Å
103P98.6Very high98.1Very high51 Ų5156 Ų5633%0.33130%0.302SS..Hα-helixtrans-61-48.5177.4-22.434.7000112.2T98 N99 L105 R106 E107T98-P103 WeakPolarHBondContact O-CD 3.29Å; N99-P103 WeakPolarHBondContact O-CD 3.32Å; P103-L105 VanDerWaalsContact C-N 3.28Å; P103-L105 PolarHBondContact O-N 2.73Å; P103-R106 PolarHBondContact O-N 2.69Å; P103-E107 WeakPolarHBondContact O-CB 3.43Å; P103-E107 VanDerWaalsContact O-CG 3.24Å; P103-E107 WeakPolarHBondContact O-CG 3.49Å; P103-E107 PolarHBondContact O-N 2.81Å
104K98.6Very high98.2Very high89 Ų8952.2 Ų52.239%0.38728%0.284SS..Hα-helixtrans-57.2-42179.1-63.2174.8-172.2174.60111.7L80 E100 I101 S108L80-K104 HydrophobicContact CD1-CB 3.97Å; L80-K104 HydrophobicContact CD2-CB 4.04Å; E100-K104 VanDerWaalsContact CG-NZ 3.31Å; E100-K104 VanDerWaalsContact O-CD 3.28Å; E100-K104 WeakPolarHBondContact O-CD 3.27Å; E100-K104 WeakPolarHBondContact O-CE 3.19Å; E100-K104 WeakPolarHBondContact O-CG 3.46Å; E100-K104 IonicContact OE1-NZ 2.91Å; E100-K104 PolarHBondContact OE1-NZ 3.32Å; I101-K104 PolarHBondContact O-N 3.41Å; K104-S108 PolarHBondContact O-N 3.02Å; K104-S108 VanDerWaalsContact O-N 3.12Å
105L98.6Very high98.3Very high0 Ų050.8 Ų50.80%027%0.27CS..Hα-helixtrans-69.1-44.9-179.2-168.763.1000111.5L80 L83 K84 I89 I101 Y102 P103 S108 W110 W114L80-L105 HydrophobicContact CD2-CB 4.38Å; L80-L105 HydrophobicContact CD2-CD1 4.3Å; L83-L105 HydrophobicContact CB-CD1 3.76Å; L83-L105 HydrophobicContact CB-CD2 4.16Å; K84-L105 HydrophobicContact CG-CD1 3.7Å; I89-L105 HydrophobicContact CD1-CD2 3.42Å; I89-L105 VanDerWaalsContact CD1-CD2 3.42Å; I101-L105 WeakPolarHBondContact O-CB 3.35Å; I101-L105 PolarHBondContact O-N 3.39Å; Y102-L105 PolarHBondContact O-N 3.48Å; P103-L105 VanDerWaalsContact C-N 3.28Å; P103-L105 PolarHBondContact O-N 2.73Å; L105-S108 WeakPolarHBondContact O-CB 3.25Å; L105-S108 PolarHBondContact O-N 3.01Å; L105-S108 PolarHBondContact O-OG 2.86Å; L105-W110 HydrophobicContact CD1-CB 4.07Å; L105-W110 HydrophobicContact CD1-CD2 4.41Å; L105-W110 HydrophobicContact CD1-CG 4.16Å; L105-W110 HydrophobicContact CD2-CD2 3.75Å; L105-W110 HydrophobicContact CD2-CE3 3.41Å; L105-W110 VanDerWaalsContact CD2-CE3 3.41Å; L105-W110 HydrophobicContact CD2-CG 4.35Å; L105-W110 HydrophobicContact CD2-CH2 4.33Å; L105-W110 HydrophobicContact CD2-CZ3 3.74Å; L105-W110 HydrophobicContact CG-CB 3.91Å; L105-W110 HydrophobicContact CG-CD2 3.84Å; L105-W110 HydrophobicContact CG-CE3 3.65Å; L105-W110 HydrophobicContact CG-CG 3.97Å; L105-W110 HydrophobicContact CG-CZ3 4.45Å; L105-W110 VanDerWaalsContact O-CB 3.31Å; L105-W110 WeakPolarHBondContact O-CB 3.22Å; L105-W110 PolarHBondContact O-N 2.84Å; L105-W114 HydrophobicContact CD2-CE3 4.33Å; L105-W114 HydrophobicContact CD2-CZ3 4.06Å
106R98.5Very high98.5Very high54 Ų5449.8 Ų49.820%0.20426%0.259CS..Hα-helixtrans-63.6-43.3175.1-69.6-63.5-175.2-143.3-0.3112.2Y102 P103 S108 G109 W110 G112 R148 T149Y102-R106 HydrophobicContact CD1-CG 4.37Å; Y102-R106 HydrophobicContact CD2-CG 4.31Å; Y102-R106 HydrophobicContact CE1-CG 3.97Å; Y102-R106 HydrophobicContact CE2-CG 3.92Å; Y102-R106 WeakPolarHBondContact O-CG 3.39Å; Y102-R106 PolarHBondContact O-N 2.87Å; Y102-R106 PolarHBondContact OH-NE 3.13Å; P103-R106 PolarHBondContact O-N 2.69Å; R106-S108 PolarHBondContact O-N 3.48Å; R106-G109 PolarHBondContact O-N 2.96Å; R106-W110 PolarHBondContact NH1-O 2.82Å; R106-G112 PolarHBondContact NH1-O 3.32Å; R106-G112 PolarHBondContact NH2-O 2.89Å; R106-G112 VanDerWaalsContact NH2-O 3.16Å; R106-R148 PolarHBondContact NH2-O 2.93Å; R106-T149 PolarHBondContact NH2-OG1 3.36Å
107E98.3Very high98.5Very high160 Ų16044.2 Ų44.275%0.74823%0.233SC*.Hα-helixtrans-62.3-26.5176.9-73.9169.8-167.200112.9P103 G109P103-E107 WeakPolarHBondContact O-CB 3.43Å; P103-E107 VanDerWaalsContact O-CG 3.24Å; P103-E107 WeakPolarHBondContact O-CG 3.49Å; P103-E107 PolarHBondContact O-N 2.81Å; E107-G109 PolarHBondContact O-N 2.86Å
108S98.1Very high98.5Very high49 Ų4944.2 Ų44.234%0.34324%0.235SC..THydrogen-bonded Turntrans-73.2-4.9173.681.70000114.6K84 K104 L105 R106K84-S108 WeakPolarHBondContact CD-OG 3.11Å; K84-S108 WeakPolarHBondContact CG-OG 3.29Å; K104-S108 PolarHBondContact O-N 3.02Å; K104-S108 VanDerWaalsContact O-N 3.12Å; L105-S108 WeakPolarHBondContact O-CB 3.25Å; L105-S108 PolarHBondContact O-N 3.01Å; L105-S108 PolarHBondContact O-OG 2.86Å; R106-S108 PolarHBondContact O-N 3.48Å
109G98.1Very high98.5Very high51 Ų5146.5 Ų46.553%0.52625%0.251SS..THydrogen-bonded Turntrans91.510.2-177.600000114.7R106 E107 Q111R106-G109 PolarHBondContact O-N 2.96Å; E107-G109 PolarHBondContact O-N 2.86Å; G109-Q111 PolarHBondContact O-N 2.88Å
110W98.6Very high98.4Very high18 Ų1843.6 Ų43.67%0.06824%0.238CC..  trans-70.3117.9179.2-17772.5000112.1K84 L86 I89 L105 R106 G112 Y113 W114K84-W110 HydrophobicContact CG-CB 4.33Å; L86-W110 PolarHBondContact O-NE1 2.98Å; I89-W110 HydrophobicContact CB-CH2 4.13Å; I89-W110 HydrophobicContact CD1-CH2 3.66Å; I89-W110 HydrophobicContact CD1-CZ2 3.73Å; I89-W110 HydrophobicContact CD1-CZ3 4.22Å; I89-W110 HydrophobicContact CG1-CH2 3.93Å; I89-W110 HydrophobicContact CG1-CZ2 3.93Å; L105-W110 HydrophobicContact CD1-CB 4.07Å; L105-W110 HydrophobicContact CD1-CD2 4.41Å; L105-W110 HydrophobicContact CD1-CG 4.16Å; L105-W110 HydrophobicContact CD2-CD2 3.75Å; L105-W110 HydrophobicContact CD2-CE3 3.41Å; L105-W110 VanDerWaalsContact CD2-CE3 3.41Å; L105-W110 HydrophobicContact CD2-CG 4.35Å; L105-W110 HydrophobicContact CD2-CH2 4.33Å; L105-W110 HydrophobicContact CD2-CZ3 3.74Å; L105-W110 HydrophobicContact CG-CB 3.91Å; L105-W110 HydrophobicContact CG-CD2 3.84Å; L105-W110 HydrophobicContact CG-CE3 3.65Å; L105-W110 HydrophobicContact CG-CG 3.97Å; L105-W110 HydrophobicContact CG-CZ3 4.45Å; L105-W110 VanDerWaalsContact O-CB 3.31Å; L105-W110 WeakPolarHBondContact O-CB 3.22Å; L105-W110 PolarHBondContact O-N 2.84Å; R106-W110 PolarHBondContact NH1-O 2.82Å; W110-G112 VanDerWaalsContact CE2-CA 3.49Å; W110-G112 WeakPolarHBondContact CH2-O 3.39Å; W110-G112 WeakPolarHBondContact CZ3-O 3.47Å; W110-Y113 WeakPolarHBondContact CH2-O 3.25Å; W110-W114 HydrophobicContact CH2-CB 4.47Å; W110-W114 HydrophobicContact CH2-CE3 4.42Å; W110-W114 HydrophobicContact CZ3-CB 4.24Å; W110-W114 HydrophobicContact CZ3-CE3 4.13Å
111Q98.1Very high98.5Very high159 Ų15940 Ų4074%0.74322%0.222SC*.  trans-103.310.7-177.8-60-175.314.700113.9G109G109-Q111 PolarHBondContact O-N 2.88Å
112G98.4Very high98.5Very high11 Ų1140.6 Ų40.611%0.11322%0.224CC..SBendtrans-70.5172.8177.800000113.3D87 R106 W110D87-G112 CarbonylContact O-C 3.59Å; D87-G112 VanDerWaalsContact O-CA 3.24Å; D87-G112 WeakPolarHBondContact O-CA 3.21Å; R106-G112 PolarHBondContact NH1-O 3.32Å; R106-G112 PolarHBondContact NH2-O 2.89Å; R106-G112 VanDerWaalsContact NH2-O 3.16Å; W110-G112 VanDerWaalsContact CE2-CA 3.49Å; W110-G112 WeakPolarHBondContact CH2-O 3.39Å; W110-G112 WeakPolarHBondContact CZ3-O 3.47Å
113Y98.8Very high98.4Very high53 Ų5343.7 Ų43.721%0.20824%0.24CC..EExtended strand (participates in β ladder)trans-86.2127.2-176-63.9-82.7000112D87 I88 I89 W110 L143 R148 F150 L386D87-Y113 PolarHBondContact O-N 3.04Å; I88-Y113 CarbonylContact C-O 3.5Å; I88-Y113 WeakPolarHBondContact CA-O 3.48Å; I88-Y113 HydrophobicContact CG1-CD2 4.1Å; I89-Y113 PolarHBondContact N-O 2.71Å; W110-Y113 WeakPolarHBondContact CH2-O 3.25Å; Y113-L143 HydrophobicContact CD1-CD2 4.43Å; Y113-L143 HydrophobicContact CE1-CD2 3.61Å; Y113-R148 CarbonylContact C-O 3.43Å; Y113-R148 WeakPolarHBondContact CA-O 3.43Å; Y113-R148 HydrophobicContact CD1-CB 4.42Å; Y113-R148 VanDerWaalsContact CE1-CD 3.49Å; Y113-R148 VanDerWaalsContact CZ-NH1 3.27Å; Y113-R148 PolarHBondContact OH-NH1 3.1Å; Y113-F150 HydrophobicContact CD1-CD2 4.34Å; Y113-F150 AromaticContact CD1-CE2 3.85Å; Y113-F150 HydrophobicContact CD1-CE2 3.85Å; Y113-F150 HydrophobicContact CE1-CE2 4.18Å; Y113-L386 HydrophobicContact CD1-CD1 3.88Å; Y113-L386 HydrophobicContact CD1-CD2 4.25Å; Y113-L386 HydrophobicContact CD2-CD1 4.02Å; Y113-L386 HydrophobicContact CD2-CD2 4.48Å; Y113-L386 HydrophobicContact CE1-CD1 4.42Å; Y113-L386 HydrophobicContact CE1-CD2 3.95Å; Y113-L386 HydrophobicContact CE2-CD2 4.18Å; Y113-L386 HydrophobicContact CG-CD1 3.63Å; Y113-L386 HydrophobicContact CG-CD2 4.48Å
114W98.9Very high98.4Very high0 Ų046.6 Ų46.60%025%0.247CC..EExtended strand (participates in β ladder)trans-104115.8175-175-88000109.9I89 T91 Y97 T98 I101 Y102 L105 W110 D116 R148 T149 F150I89-W114 HydrophobicContact CB-CE3 3.97Å; I89-W114 HydrophobicContact CB-CZ3 4.33Å; I89-W114 HydrophobicContact CD1-CE3 4.03Å; I89-W114 HydrophobicContact CD1-CZ3 3.94Å; I89-W114 HydrophobicContact CG2-CD2 4.42Å; I89-W114 HydrophobicContact CG2-CE3 3.77Å; I89-W114 HydrophobicContact CG2-CH2 4.39Å; I89-W114 HydrophobicContact CG2-CZ3 3.75Å; T91-W114 HydrophobicContact CG2-CH2 4.3Å; T91-W114 HydrophobicContact CG2-CZ2 3.56Å; Y97-W114 AromaticContact CE1-CH2 3.93Å; Y97-W114 HydrophobicContact CE1-CH2 3.93Å; T98-W114 HydrophobicContact CG2-CZ2 4.12Å; I101-W114 HydrophobicContact CG2-CH2 4.24Å; I101-W114 HydrophobicContact CG2-CZ3 4.43Å; Y102-W114 HydrophobicContact CD2-CB 4.23Å; Y102-W114 AromaticContact CD2-CD1 3.9Å; Y102-W114 AromaticContact CD2-CD2 3.58Å; Y102-W114 HydrophobicContact CD2-CD2 3.58Å; Y102-W114 AromaticContact CD2-CE2 3.79Å; Y102-W114 HydrophobicContact CD2-CE3 4.03Å; Y102-W114 AromaticContact CD2-CG 3.66Å; Y102-W114 HydrophobicContact CD2-CG 3.66Å; Y102-W114 HydrophobicContact CD2-CZ2 4.39Å; Y102-W114 AromaticContact CD2-NE1 3.96Å; Y102-W114 HydrophobicContact CE2-CB 3.95Å; Y102-W114 HydrophobicContact CE2-CD2 4.22Å; Y102-W114 AromaticContact CE2-CG 3.82Å; Y102-W114 HydrophobicContact CE2-CG 3.82Å; L105-W114 HydrophobicContact CD2-CE3 4.33Å; L105-W114 HydrophobicContact CD2-CZ3 4.06Å; W110-W114 HydrophobicContact CH2-CB 4.47Å; W110-W114 HydrophobicContact CH2-CE3 4.42Å; W110-W114 HydrophobicContact CZ3-CB 4.24Å; W110-W114 HydrophobicContact CZ3-CE3 4.13Å; W114-D116 PolarHBondContact NE1-OD2 2.98Å; W114-R148 PolarHBondContact N-O 3.27Å; W114-T149 HydrophobicContact CB-CG2 4.5Å; W114-T149 WeakPolarHBondContact O-CA 3.44Å; W114-F150 PolarHBondContact O-N 2.92Å
115I98.9Very high98.4Very high0 Ų050.2 Ų50.20%027%0.271CS..EExtended strand (participates in β ladder)trans-110.9118.8176.4-59.5173.8000108.7I88 I89 V90 T91 I130 F150 L379 M382 L383 L386I88-I115 HydrophobicContact CG2-CD1 3.96Å; I88-I115 HydrophobicContact CG2-CG1 4.44Å; I89-I115 PolarHBondContact O-N 3.16Å; V90-I115 CarbonylContact C-O 3.49Å; V90-I115 WeakPolarHBondContact CA-O 3.48Å; V90-I115 HydrophobicContact CG1-CB 4.45Å; V90-I115 HydrophobicContact CG1-CG2 4.24Å; V90-I115 HydrophobicContact CG2-CB 4.19Å; V90-I115 HydrophobicContact CG2-CD1 4.19Å; T91-I115 PolarHBondContact N-O 2.97Å; I115-I130 HydrophobicContact CG2-CD1 4.24Å; I115-F150 CarbonylContact C-O 3.54Å; I115-F150 VanDerWaalsContact CA-O 3.23Å; I115-F150 WeakPolarHBondContact CA-O 3.39Å; I115-F150 HydrophobicContact CG1-CB 4.43Å; I115-L379 HydrophobicContact CG2-CB 3.79Å; I115-L379 HydrophobicContact CG2-CD2 3.83Å; I115-L379 HydrophobicContact CG2-CG 4.35Å; I115-M382 HydrophobicContact CD1-CB 4.13Å; I115-M382 HydrophobicContact CD1-CG 3.8Å; I115-M382 HydrophobicContact CG1-CG 4.09Å; I115-L383 HydrophobicContact CD1-CB 4.07Å; I115-L386 HydrophobicContact CD1-CD1 4.09Å
116D98.8Very high98.4Very high0 Ų054.1 Ų54.10%029%0.292CS..EExtended strand (participates in β ladder)trans-130.5136.2-168.1-155.6-26.1000113.5T91 T98 W114 A118 F150 V151 G152 L379T91-D116 HydrophobicContact CG2-CB 3.97Å; T91-D116 VanDerWaalsContact CG2-CG 3.4Å; T91-D116 WeakPolarHBondContact CG2-OD1 3.4Å; T98-D116 WeakPolarHBondContact CB-OD2 3.35Å; T98-D116 WeakPolarHBondContact CG2-OD2 2.87Å; T98-D116 PolarHBondContact OG1-OD2 2.77Å; W114-D116 PolarHBondContact NE1-OD2 2.98Å; D116-A118 WeakPolarHBondContact OD1-CB 3.36Å; D116-A118 PolarHBondContact OD1-N 3.42Å; D116-F150 PolarHBondContact N-O 2.82Å; D116-V151 HydrophobicContact CB-CG1 4.29Å; D116-V151 CarbonylContact O-C 3.52Å; D116-V151 WeakPolarHBondContact O-CA 3.47Å; D116-G152 PolarHBondContact O-N 3.46Å; D116-L379 WeakPolarHBondContact O-CD2 3.43Å
117A98.5Very high98.4Very high24 Ų2451.7 Ų51.720%0.19828%0.283CS..  trans-80-23.6169.700000113.2T91 L379T91-A117 PolarHBondContact O-N 3.34Å; T91-A117 VanDerWaalsContact O-N 3.09Å; A117-L379 HydrophobicContact CB-CD1 3.81Å
118A97.8Very high98.5Very high10 Ų1044.9 Ų44.98%0.08325%0.252CS..SBendtrans-76.1149.7-171.200000112.7D116 S120 V151D116-A118 WeakPolarHBondContact OD1-CB 3.36Å; D116-A118 PolarHBondContact OD1-N 3.42Å; A118-S120 VanDerWaalsContact C-N 3.25Å; A118-S120 PolarHBondContact O-N 3Å; A118-V151 WeakPolarHBondContact O-CG1 3.34Å
119S97.9Very high98.5Very high49 Ų4942.7 Ų42.734%0.34324%0.236SC..G310 helixtrans-72-14.1-179.463.50000115.1L121 R122S119-L121 VanDerWaalsContact C-N 3.27Å; S119-L121 PolarHBondContact O-N 3.49Å; S119-L121 VanDerWaalsContact O-N 3.12Å; S119-R122 PolarHBondContact O-N 2.84Å
120S97.9Very high98.5Very high33 Ų3340.3 Ų40.323%0.23121%0.211CC..G310 helixtrans-54.3-37.7-167.4-62.30000114.7G95 N99 A118G95-S120 WeakPolarHBondContact CA-OG 3.34Å; G95-S120 PolarHBondContact O-OG 3.28Å; N99-S120 VanDerWaalsContact OD1-CB 3.26Å; N99-S120 WeakPolarHBondContact OD1-CB 3.34Å; N99-S120 PolarHBondContact OD1-OG 3.27Å; A118-S120 VanDerWaalsContact C-N 3.25Å; A118-S120 PolarHBondContact O-N 3Å
121L98.7Very high98.5Very high9 Ų939.5 Ų39.55%0.04721%0.208CC..G310 helixtrans-105.4-4.8-172.7-57.8177.5000113.4T98 Y102 S119 M123 K124 A127 T149 V151T98-L121 HydrophobicContact CG2-CD1 3.55Å; T98-L121 HydrophobicContact CG2-CD2 4.31Å; T98-L121 HydrophobicContact CG2-CG 3.68Å; Y102-L121 HydrophobicContact CD1-CD1 3.77Å; Y102-L121 HydrophobicContact CD1-CD2 3.8Å; Y102-L121 HydrophobicContact CD1-CG 4.45Å; Y102-L121 HydrophobicContact CD2-CD1 3.67Å; Y102-L121 HydrophobicContact CE1-CD1 3.9Å; Y102-L121 HydrophobicContact CE1-CD2 3.91Å; Y102-L121 HydrophobicContact CE2-CD1 3.78Å; Y102-L121 HydrophobicContact CG-CD1 3.66Å; Y102-L121 HydrophobicContact CG-CD2 4.44Å; S119-L121 VanDerWaalsContact C-N 3.27Å; S119-L121 PolarHBondContact O-N 3.49Å; S119-L121 VanDerWaalsContact O-N 3.12Å; L121-M123 PolarHBondContact O-N 2.79Å; L121-M123 VanDerWaalsContact O-N 3.08Å; L121-K124 HydrophobicContact CB-CG 4.45Å; L121-K124 HydrophobicContact CD2-CG 4.19Å; L121-K124 WeakPolarHBondContact O-CB 3.42Å; L121-K124 PolarHBondContact O-N 2.9Å; L121-A127 WeakPolarHBondContact O-CB 3.12Å; L121-T149 HydrophobicContact CB-CG2 4.41Å; L121-T149 HydrophobicContact CD1-CG2 3.93Å; L121-V151 HydrophobicContact CB-CG2 3.83Å
122R98.7Very high98.6Very high15 Ų1532.5 Ų32.56%0.05718%0.176CC..THydrogen-bonded Turntrans-52.4-40.4-171.9-73.1-177.2-174156.42.6113.4S119 I129 V151 G152 G153 N154 E268 K271S119-R122 PolarHBondContact O-N 2.84Å; R122-I129 HydrophobicContact CB-CD1 3.92Å; R122-I129 HydrophobicContact CB-CG1 4.14Å; R122-I129 HydrophobicContact CG-CD1 4.43Å; R122-I129 HydrophobicContact CG-CG1 4.46Å; R122-I129 WeakPolarHBondContact O-CG1 3.41Å; R122-V151 HydrophobicContact CB-CG1 4.46Å; R122-V151 HydrophobicContact CG-CB 4.15Å; R122-V151 HydrophobicContact CG-CG1 3.44Å; R122-V151 VanDerWaalsContact CG-CG1 3.44Å; R122-G152 PolarHBondContact NE-O 2.78Å; R122-G152 PolarHBondContact NH2-O 2.87Å; R122-G153 PolarHBondContact NH2-O 2.83Å; R122-N154 PolarHBondContact NH1-OD1 3.39Å; R122-E268 WeakPolarHBondContact CD-OE1 3.24Å; R122-E268 VanDerWaalsContact CD-OE2 3.31Å; R122-E268 WeakPolarHBondContact CD-OE2 3.37Å; R122-E268 IonicContact CZ-OE1 2.75Å; R122-E268 IonicContact CZ-OE2 2.93Å; R122-E268 IonicContact NE-OE1 2.71Å; R122-E268 IonicContact NE-OE2 3.18Å; R122-E268 IonicContact NH1-OE1 2.97Å; R122-E268 PolarHBondContact NH1-OE1 2.8Å; R122-E268 IonicContact NH1-OE2 3.32Å; R122-K271 WeakPolarHBondContact O-CD 3.28Å; R122-K271 VanDerWaalsContact O-CE 3.27Å; R122-K271 WeakPolarHBondContact O-CE 3.31Å; R122-K271 PolarHBondContact O-NZ 3.18Å
123M98.6Very high98.6Very high82 Ų8233.2 Ų33.240%0.40418%0.179SC..THydrogen-bonded Turntrans-987.8-174.3-53.4-48.7-62.700113.9L121 I129 W263 A267 E268 K271L121-M123 PolarHBondContact O-N 2.79Å; L121-M123 VanDerWaalsContact O-N 3.08Å; M123-I129 HydrophobicContact SD-CD1 4.2Å; M123-W263 HydrophobicContact CG-CH2 4.19Å; M123-A267 HydrophobicContact CE-CB 4.11Å; M123-E268 HydrophobicContact SD-CG 4.19Å; M123-K271 HydrophobicContact CE-CB 4.32Å; M123-K271 HydrophobicContact CE-CD 3.95Å; M123-K271 HydrophobicContact SD-CD 4.14Å
124K98.6Very high98.6Very high112 Ų11232 Ų3249%0.48718%0.176SC..  trans-73.8142.3175.8-63-68.6-173.9175.40111.2L121 D126 A127 K271L121-K124 HydrophobicContact CB-CG 4.45Å; L121-K124 HydrophobicContact CD2-CG 4.19Å; L121-K124 WeakPolarHBondContact O-CB 3.42Å; L121-K124 PolarHBondContact O-N 2.9Å; K124-D126 VanDerWaalsContact CB-OD1 3.25Å; K124-D126 WeakPolarHBondContact CB-OD1 3.44Å; K124-D126 PolarHBondContact O-N 2.82Å; K124-A127 HydrophobicContact CB-CB 4.11Å; K124-A127 PolarHBondContact O-N 2.7Å; K124-A127 VanDerWaalsContact O-N 3.13Å; K124-K271 PolarHBondContact O-NZ 3.31Å
125D98.2Very high98.6Very high166 Ų16632.2 Ų32.289%0.88818%0.178SC*.THydrogen-bonded Turntrans-65.4-27.6-176.5-59.2-45000112.7A127D125-A127 VanDerWaalsContact C-N 3.29Å; D125-A127 PolarHBondContact O-N 2.84Å
126D98.2Very high98.6Very high82 Ų8235.1 Ų35.144%0.43919%0.191SC..THydrogen-bonded Turntrans-89.914.8177.367.8-30.5000113.4K124K124-D126 VanDerWaalsContact CB-OD1 3.25Å; K124-D126 WeakPolarHBondContact CB-OD1 3.44Å; K124-D126 PolarHBondContact O-N 2.82Å
127A98.8Very high98.6Very high2 Ų241.2 Ų41.22%0.01722%0.224CC..EExtended strand (participates in β ladder)trans-130.8140.8-179.400000112.7L121 K124 D125 T149 V151 K271L121-A127 WeakPolarHBondContact O-CB 3.12Å; K124-A127 HydrophobicContact CB-CB 4.11Å; K124-A127 PolarHBondContact O-N 2.7Å; K124-A127 VanDerWaalsContact O-N 3.13Å; D125-A127 VanDerWaalsContact C-N 3.29Å; D125-A127 PolarHBondContact O-N 2.84Å; A127-T149 VanDerWaalsContact CA-O 3.32Å; A127-T149 WeakPolarHBondContact CA-O 3.49Å; A127-T149 HydrophobicContact CB-CG2 3.76Å; A127-V151 HydrophobicContact CB-CG2 4.3Å; A127-K271 WeakPolarHBondContact O-CE 3.46Å; A127-K271 PolarHBondContact O-NZ 2.78Å
128I98.9Very high98.6Very high18 Ų1841.5 Ų41.59%0.09222%0.223CC..EExtended strand (participates in β ladder)trans-106.2136.6174.2-74.8171000110.2I130 V138 I139 G142 I147 T149 F150 V151I128-I130 HydrophobicContact CG2-CG2 4.3Å; I128-V138 WeakPolarHBondContact CD1-O 3.42Å; I128-V138 HydrophobicContact CG2-CG1 4.41Å; I128-I139 HydrophobicContact CG2-CG1 4.14Å; I128-G142 VanDerWaalsContact CD1-CA 3.44Å; I128-I147 HydrophobicContact CB-CG2 4.44Å; I128-I147 HydrophobicContact CD1-CB 4.18Å; I128-I147 HydrophobicContact CD1-CG1 4.03Å; I128-I147 HydrophobicContact CD1-CG2 3.99Å; I128-I147 HydrophobicContact CG1-CG1 4.49Å; I128-I147 HydrophobicContact CG1-CG2 4.09Å; I128-T149 PolarHBondContact N-O 2.95Å; I128-F150 HydrophobicContact CB-CD1 4.04Å; I128-F150 HydrophobicContact CB-CE1 4.16Å; I128-F150 HydrophobicContact CD1-CE1 4.21Å; I128-F150 HydrophobicContact CG2-CD1 4.2Å; I128-F150 HydrophobicContact CG2-CE1 4.38Å; I128-F150 CarbonylContact O-C 3.46Å; I128-F150 WeakPolarHBondContact O-CA 3.34Å; I128-V151 PolarHBondContact O-N 3.19Å
129I98.9Very high98.6Very high2 Ų241.1 Ų41.11%0.0122%0.219CC..EExtended strand (participates in β ladder)trans-83.7122.2169.9-54-179.7000108.4R122 M123 N135 V151 E268 K271 I272R122-I129 HydrophobicContact CB-CD1 3.92Å; R122-I129 HydrophobicContact CB-CG1 4.14Å; R122-I129 HydrophobicContact CG-CD1 4.43Å; R122-I129 HydrophobicContact CG-CG1 4.46Å; R122-I129 WeakPolarHBondContact O-CG1 3.41Å; M123-I129 HydrophobicContact SD-CD1 4.2Å; I129-N135 PolarHBondContact O-ND2 3.31Å; I129-V151 CarbonylContact C-O 3.38Å; I129-V151 WeakPolarHBondContact CA-O 3.4Å; I129-V151 WeakPolarHBondContact CG2-O 3.44Å; I129-E268 HydrophobicContact CD1-CB 3.92Å; I129-E268 HydrophobicContact CD1-CG 3.95Å; I129-K271 HydrophobicContact CD1-CB 4.13Å; I129-K271 HydrophobicContact CD1-CD 3.91Å; I129-K271 HydrophobicContact CD1-CG 4.06Å; I129-K271 HydrophobicContact CG1-CD 4.09Å; I129-K271 HydrophobicContact CG1-CG 4.26Å; I129-I272 HydrophobicContact CB-CD1 4.46Å; I129-I272 HydrophobicContact CB-CG1 3.65Å; I129-I272 HydrophobicContact CG2-CD1 3.71Å; I129-I272 HydrophobicContact CG2-CG1 3.44Å; I129-I272 VanDerWaalsContact CG2-CG1 3.44Å
130I98.9Very high98.6Very high2 Ų241.3 Ų41.31%0.0122%0.219CC..EExtended strand (participates in β ladder)trans-95.8128.9-17251.4171.3000112.8I115 I128 I139 F150 V151 P378 L379 M382I115-I130 HydrophobicContact CG2-CD1 4.24Å; I128-I130 HydrophobicContact CG2-CG2 4.3Å; I130-I139 HydrophobicContact CB-CD1 4.12Å; I130-I139 HydrophobicContact CG2-CD1 3.87Å; I130-I139 HydrophobicContact CG2-CG1 4.1Å; I130-F150 HydrophobicContact CD1-CB 4.36Å; I130-F150 HydrophobicContact CG2-CB 3.7Å; I130-F150 HydrophobicContact CG2-CD1 3.55Å; I130-F150 HydrophobicContact CG2-CG 4.08Å; I130-V151 WeakPolarHBondContact CG1-O 3.47Å; I130-V151 PolarHBondContact N-O 2.94Å; I130-P378 HydrophobicContact CD1-CB 4.34Å; I130-P378 HydrophobicContact CG1-CB 4.27Å; I130-L379 HydrophobicContact CD1-CD2 4.17Å; I130-M382 HydrophobicContact CD1-CB 3.5Å; I130-M382 HydrophobicContact CD1-CG 3.93Å; I130-M382 HydrophobicContact CG2-CG 4.27Å; I130-M382 HydrophobicContact CG2-SD 3.86Å
131L98.9Very high98.7Very high0 Ų044.4 Ų44.40%023%0.233CC..  trans-157.271.3167.8-171.163.7000108.1P133 V134 N135 L161 M162 I272 W373 P378L131-P133 VanDerWaalsContact C-N 3.31Å; L131-P133 WeakPolarHBondContact O-CD 3.46Å; L131-V134 HydrophobicContact CB-CB 4.45Å; L131-V134 HydrophobicContact CD2-CB 4.01Å; L131-V134 HydrophobicContact CD2-CG2 3.68Å; L131-V134 HydrophobicContact CG-CB 4.13Å; L131-V134 HydrophobicContact CG-CG2 3.97Å; L131-V134 WeakPolarHBondContact O-CA 3.36Å; L131-V134 WeakPolarHBondContact O-CB 3.29Å; L131-V134 PolarHBondContact O-N 3.23Å; L131-N135 PolarHBondContact N-OD1 3.03Å; L131-N135 PolarHBondContact O-N 3.06Å; L131-N135 PolarHBondContact O-OD1 3.33Å; L131-L161 HydrophobicContact CD2-CB 3.71Å; L131-L161 HydrophobicContact CD2-CD1 4.32Å; L131-M162 HydrophobicContact CD1-CG 3.98Å; L131-M162 HydrophobicContact CD1-SD 3.88Å; L131-M162 HydrophobicContact CD2-CG 4.38Å; L131-M162 HydrophobicContact CG-CG 4.5Å; L131-M162 HydrophobicContact CG-SD 4.19Å; L131-I272 HydrophobicContact CB-CG2 4.41Å; L131-W373 HydrophobicContact CD1-CE3 4.12Å; L131-W373 HydrophobicContact CD1-CZ3 4.39Å; L131-P378 HydrophobicContact CD1-CG 4.16Å
132D98.8Very high98.7Very high13 Ų1344.3 Ų44.37%0.0723%0.234CC..Hα-helixtrans-51.7-33.8-165.371-81000116.4V134 Q136 I139 R381 Q385D132-V134 PolarHBondContact O-N 2.83Å; D132-Q136 WeakPolarHBondContact O-CB 3.39Å; D132-Q136 PolarHBondContact O-N 3.44Å; D132-Q136 VanDerWaalsContact O-N 3.15Å; D132-I139 HydrophobicContact CB-CD1 3.93Å; D132-R381 VanDerWaalsContact CG-NE 3.3Å; D132-R381 VanDerWaalsContact OD1-CB 3.32Å; D132-R381 WeakPolarHBondContact OD1-CB 3.43Å; D132-R381 WeakPolarHBondContact OD1-CD 3.2Å; D132-R381 IonicContact OD1-CZ 3.81Å; D132-R381 IonicContact OD1-NE 2.7Å; D132-R381 PolarHBondContact OD1-NE 3.2Å; D132-R381 IonicContact OD1-NH2 3.97Å; D132-R381 IonicContact OD2-CZ 3.25Å; D132-R381 VanDerWaalsContact OD2-CZ 3.25Å; D132-R381 IonicContact OD2-NE 2.8Å; D132-R381 PolarHBondContact OD2-NE 2.98Å; D132-R381 IonicContact OD2-NH2 2.68Å; D132-R381 PolarHBondContact OD2-NH2 3.32Å; D132-Q385 VanDerWaalsContact CB-NE2 3.33Å
133P98.7Very high98.7Very high26 Ų2645.2 Ų45.217%0.16924%0.24CC..Hα-helixtrans-65.3-13.2175.6-20.436.4000113.6L131 M162 H318 N319 W321 W373L131-P133 VanDerWaalsContact C-N 3.31Å; L131-P133 WeakPolarHBondContact O-CD 3.46Å; P133-M162 HydrophobicContact CB-CE 4.15Å; P133-M162 HydrophobicContact CB-SD 3.91Å; P133-M162 HydrophobicContact CG-CE 4.03Å; P133-M162 HydrophobicContact CG-SD 3.82Å; P133-H318 PolarHBondContact O-CE1 2.96Å; P133-N319 HydrophobicContact CB-CB 4.18Å; P133-W321 HydrophobicContact CB-CE3 4.38Å; P133-W321 HydrophobicContact CB-CZ3 3.91Å; P133-W321 HydrophobicContact CG-CE3 4.18Å; P133-W321 HydrophobicContact CG-CH2 4.34Å; P133-W321 HydrophobicContact CG-CZ3 3.56Å; P133-W373 HydrophobicContact CG-CH2 3.47Å; P133-W373 VanDerWaalsContact CG-CH2 3.47Å; P133-W373 HydrophobicContact CG-CZ2 4.31Å; P133-W373 HydrophobicContact CG-CZ3 3.8Å
134V98.9Very high98.7Very high26 Ų2647.2 Ų47.216%0.15825%0.252CS..Hα-helixtrans-111.2-38.4-178.6176.50000111.8L131 D132 L161 M162 I272 L273L131-V134 HydrophobicContact CB-CB 4.45Å; L131-V134 HydrophobicContact CD2-CB 4.01Å; L131-V134 HydrophobicContact CD2-CG2 3.68Å; L131-V134 HydrophobicContact CG-CB 4.13Å; L131-V134 HydrophobicContact CG-CG2 3.97Å; L131-V134 WeakPolarHBondContact O-CA 3.36Å; L131-V134 WeakPolarHBondContact O-CB 3.29Å; L131-V134 PolarHBondContact O-N 3.23Å; D132-V134 PolarHBondContact O-N 2.83Å; V134-L161 HydrophobicContact CG1-CB 4.26Å; V134-L161 HydrophobicContact CG1-CD1 4.4Å; V134-L161 HydrophobicContact CG2-CB 4.1Å; V134-M162 HydrophobicContact CG2-SD 4.41Å; V134-I272 HydrophobicContact CG1-CG2 4.18Å; V134-L273 HydrophobicContact CG1-CD2 3.62Å
135N98.8Very high98.6Very high6 Ų648.6 Ų48.63%0.03227%0.265CS..Hα-helixtrans-133.434.3-170.978.4-25.8000115.2I129 L131 D137 V138 I139 I272I129-N135 PolarHBondContact O-ND2 3.31Å; L131-N135 PolarHBondContact N-OD1 3.03Å; L131-N135 PolarHBondContact O-N 3.06Å; L131-N135 PolarHBondContact O-OD1 3.33Å; N135-D137 PolarHBondContact O-N 3.42Å; N135-V138 HydrophobicContact CB-CB 4.16Å; N135-V138 HydrophobicContact CB-CG2 4.16Å; N135-V138 PolarHBondContact O-N 2.83Å; N135-I139 PolarHBondContact O-N 2.79Å; N135-I139 VanDerWaalsContact O-N 3.09Å; N135-I272 HydrophobicContact CB-CG2 4.02Å; N135-I272 WeakPolarHBondContact CB-O 3.32Å; N135-I272 PolarHBondContact ND2-O 3.22Å
136Q98.7Very high98.6Very high61 Ų6142.5 Ų42.529%0.28524%0.241SC..Hα-helixtrans-50.3-41.4176.3-175.758.161.700112.8D132 V138 I139 T140 Q385D132-Q136 WeakPolarHBondContact O-CB 3.39Å; D132-Q136 PolarHBondContact O-N 3.44Å; D132-Q136 VanDerWaalsContact O-N 3.15Å; Q136-V138 PolarHBondContact O-N 3.18Å; Q136-I139 PolarHBondContact O-N 2.9Å; Q136-T140 PolarHBondContact NE2-OG1 3.34Å; Q136-T140 WeakPolarHBondContact O-CB 3.31Å; Q136-T140 PolarHBondContact O-N 3.34Å; Q136-T140 PolarHBondContact O-OG1 2.91Å; Q136-Q385 VanDerWaalsContact OE1-CD 3.31Å
137D98.4Very high98.7Very high127 Ų12740.2 Ų40.268%0.67923%0.228SC*.Hα-helixtrans-60.7-43.7179.5-64-13.7000111.7N135 I139 T140 D141N135-D137 PolarHBondContact O-N 3.42Å; D137-I139 VanDerWaalsContact C-N 3.35Å; D137-I139 PolarHBondContact O-N 3.23Å; D137-T140 PolarHBondContact O-N 2.95Å; D137-D141 WeakPolarHBondContact O-CB 3.35Å; D137-D141 PolarHBondContact O-N 3.28Å
138V98.7Very high98.7Very high31 Ų3144 Ų4419%0.18824%0.242CC..Hα-helixtrans-63.5-41.2176.7-179.50000111I128 N135 Q136 G142 N274I128-V138 WeakPolarHBondContact CD1-O 3.42Å; I128-V138 HydrophobicContact CG2-CG1 4.41Å; N135-V138 HydrophobicContact CB-CB 4.16Å; N135-V138 HydrophobicContact CB-CG2 4.16Å; N135-V138 PolarHBondContact O-N 2.83Å; Q136-V138 PolarHBondContact O-N 3.18Å; V138-G142 PolarHBondContact O-N 2.7Å; V138-N274 HydrophobicContact CG1-CB 4.46Å; V138-N274 HydrophobicContact CG2-CB 3.77Å
139I98.8Very high98.7Very high1 Ų143.2 Ų43.21%0.00524%0.239CC..Hα-helixtrans-63.5-47.6176.9-64.3173.5000110.2I128 I130 D132 N135 Q136 D137 G142 L143 F150 M382I128-I139 HydrophobicContact CG2-CG1 4.14Å; I130-I139 HydrophobicContact CB-CD1 4.12Å; I130-I139 HydrophobicContact CG2-CD1 3.87Å; I130-I139 HydrophobicContact CG2-CG1 4.1Å; D132-I139 HydrophobicContact CB-CD1 3.93Å; N135-I139 PolarHBondContact O-N 2.79Å; N135-I139 VanDerWaalsContact O-N 3.09Å; Q136-I139 PolarHBondContact O-N 2.9Å; D137-I139 VanDerWaalsContact C-N 3.35Å; D137-I139 PolarHBondContact O-N 3.23Å; I139-G142 PolarHBondContact O-N 3.08Å; I139-L143 HydrophobicContact CG2-CD1 4.13Å; I139-L143 WeakPolarHBondContact O-CG 3.37Å; I139-L143 PolarHBondContact O-N 2.92Å; I139-F150 HydrophobicContact CG2-CD1 4.49Å; I139-F150 HydrophobicContact CG2-CE1 4.04Å; I139-M382 HydrophobicContact CG2-CE 3.98Å; I139-M382 HydrophobicContact CG2-SD 3.72Å
140T98.7Very high98.7Very high54 Ų5443.1 Ų43.133%0.33124%0.238SC..Hα-helixtrans-62.6-46.9-179.8-68.40000111.7Q136 D137 G142 L143 N144Q136-T140 PolarHBondContact NE2-OG1 3.34Å; Q136-T140 WeakPolarHBondContact O-CB 3.31Å; Q136-T140 PolarHBondContact O-N 3.34Å; Q136-T140 PolarHBondContact O-OG1 2.91Å; D137-T140 PolarHBondContact O-N 2.95Å; T140-G142 VanDerWaalsContact C-N 3.31Å; T140-G142 PolarHBondContact O-N 2.91Å; T140-L143 PolarHBondContact O-N 3.14Å; T140-N144 VanDerWaalsContact O-CG 3.29Å; T140-N144 PolarHBondContact O-N 3.23Å; T140-N144 PolarHBondContact O-ND2 3.38Å
141D98.6Very high98.7Very high98 Ų9843 Ų4352%0.52424%0.238SC..Hα-helixtrans-60-43175.5-75.9-9000111.2D137 L143 N144 N145D137-D141 WeakPolarHBondContact O-CB 3.35Å; D137-D141 PolarHBondContact O-N 3.28Å; D141-L143 PolarHBondContact O-N 2.75Å; D141-N144 PolarHBondContact O-N 2.86Å; D141-N145 WeakPolarHBondContact O-CB 3Å; D141-N145 PolarHBondContact O-N 3.24Å; D141-N145 PolarHBondContact O-OD1 3.14Å
142G98.6Very high98.7Very high7 Ų743.2 Ų43.27%0.07224%0.24CC..Hα-helixtrans-57.8-47.8174.300000113.8I128 V138 I139 T140 N144 N145 G146 I147I128-G142 VanDerWaalsContact CD1-CA 3.44Å; V138-G142 PolarHBondContact O-N 2.7Å; I139-G142 PolarHBondContact O-N 3.08Å; T140-G142 VanDerWaalsContact C-N 3.31Å; T140-G142 PolarHBondContact O-N 2.91Å; G142-N144 VanDerWaalsContact C-N 3.33Å; G142-N144 PolarHBondContact O-N 3.13Å; G142-N145 CarbonylContact O-C 3.56Å; G142-N145 PolarHBondContact O-N 3.35Å; G142-G146 PolarHBondContact O-N 2.91Å; G142-G146 VanDerWaalsContact O-N 3.1Å; G142-I147 VanDerWaalsContact O-CB 3.32Å; G142-I147 WeakPolarHBondContact O-CB 3.1Å; G142-I147 WeakPolarHBondContact O-CG1 3.47Å; G142-I147 PolarHBondContact O-N 2.79Å
143L98.5Very high98.6Very high34 Ų3442.8 Ų42.818%0.17824%0.238CC..Hα-helixtrans-60.5-43.1178.2-73.9170.1000111.8Y113 I139 T140 D141 N145 G146 F150 M382 L386Y113-L143 HydrophobicContact CD1-CD2 4.43Å; Y113-L143 HydrophobicContact CE1-CD2 3.61Å; I139-L143 HydrophobicContact CG2-CD1 4.13Å; I139-L143 WeakPolarHBondContact O-CG 3.37Å; I139-L143 PolarHBondContact O-N 2.92Å; T140-L143 PolarHBondContact O-N 3.14Å; D141-L143 PolarHBondContact O-N 2.75Å; L143-N145 VanDerWaalsContact C-N 3.28Å; L143-N145 PolarHBondContact O-N 3.2Å; L143-G146 PolarHBondContact O-N 2.89Å; L143-F150 HydrophobicContact CD2-CE1 4.34Å; L143-F150 HydrophobicContact CD2-CE2 3.7Å; L143-F150 HydrophobicContact CD2-CZ 3.34Å; L143-F150 HydrophobicContact CG-CE1 4.34Å; L143-F150 HydrophobicContact CG-CZ 3.72Å; L143-M382 HydrophobicContact CD1-CE 4.16Å; L143-M382 HydrophobicContact CD2-CE 4.1Å; L143-M382 HydrophobicContact CG-CE 4.43Å; L143-L386 HydrophobicContact CD1-CD2 4.32Å; L143-L386 HydrophobicContact CD2-CD2 3.72Å
144N98.3Very high98.6Very high124 Ų12442 Ų4266%0.66323%0.233SC*.Hα-helixtrans-65.9-31.7177.4-68.3-29.7000112.3T140 D141 G142 G146T140-N144 VanDerWaalsContact O-CG 3.29Å; T140-N144 PolarHBondContact O-N 3.23Å; T140-N144 PolarHBondContact O-ND2 3.38Å; D141-N144 PolarHBondContact O-N 2.86Å; G142-N144 VanDerWaalsContact C-N 3.33Å; G142-N144 PolarHBondContact O-N 3.13Å; N144-G146 VanDerWaalsContact C-N 3.34Å
145N98.4Very high98.6Very high141 Ų14141.2 Ų41.275%0.75423%0.228SC*.THydrogen-bonded Turntrans-92.210179.1-72.340.6000113.7D141 G142 L143D141-N145 WeakPolarHBondContact O-CB 3Å; D141-N145 PolarHBondContact O-N 3.24Å; D141-N145 PolarHBondContact O-OD1 3.14Å; G142-N145 CarbonylContact O-C 3.56Å; G142-N145 PolarHBondContact O-N 3.35Å; L143-N145 VanDerWaalsContact C-N 3.28Å; L143-N145 PolarHBondContact O-N 3.2Å
146G98.2Very high98.5Very high38 Ų3841.3 Ų41.339%0.39223%0.229SC..THydrogen-bonded Turntrans85.514.2171.300000115.6G142 L143 N144 R148G142-G146 PolarHBondContact O-N 2.91Å; G142-G146 VanDerWaalsContact O-N 3.1Å; L143-G146 PolarHBondContact O-N 2.89Å; N144-G146 VanDerWaalsContact C-N 3.34Å; G146-R148 WeakPolarHBondContact O-CG 3.27Å; G146-R148 PolarHBondContact O-N 3.42Å
147I98.7Very high98.5Very high33 Ų3338.5 Ų38.517%0.16922%0.216CC..  trans-62.9129.1170.3-61.7-65.1000109.4I128 G142 T149 F150I128-I147 HydrophobicContact CB-CG2 4.44Å; I128-I147 HydrophobicContact CD1-CB 4.18Å; I128-I147 HydrophobicContact CD1-CG1 4.03Å; I128-I147 HydrophobicContact CD1-CG2 3.99Å; I128-I147 HydrophobicContact CG1-CG1 4.49Å; I128-I147 HydrophobicContact CG1-CG2 4.09Å; G142-I147 VanDerWaalsContact O-CB 3.32Å; G142-I147 WeakPolarHBondContact O-CB 3.1Å; G142-I147 WeakPolarHBondContact O-CG1 3.47Å; G142-I147 PolarHBondContact O-N 2.79Å; I147-T149 WeakPolarHBondContact CG2-O 3.43Å; I147-F150 HydrophobicContact CB-CZ 4.32Å; I147-F150 HydrophobicContact CG2-CE1 4.26Å; I147-F150 HydrophobicContact CG2-CE2 4.26Å; I147-F150 HydrophobicContact CG2-CZ 3.93Å; I147-F150 WeakPolarHBondContact O-CE2 3.43Å
148R98.7Very high98.6Very high82 Ų8232.5 Ų32.531%0.30918%0.184SC..  trans-119.26.8179.8-56.1-57.6-177.6-152-2.4113.3R106 Y113 W114 G146R106-R148 PolarHBondContact NH2-O 2.93Å; Y113-R148 CarbonylContact C-O 3.43Å; Y113-R148 WeakPolarHBondContact CA-O 3.43Å; Y113-R148 HydrophobicContact CD1-CB 4.42Å; Y113-R148 VanDerWaalsContact CE1-CD 3.49Å; Y113-R148 VanDerWaalsContact CZ-NH1 3.27Å; Y113-R148 PolarHBondContact OH-NH1 3.1Å; W114-R148 PolarHBondContact N-O 3.27Å; G146-R148 WeakPolarHBondContact O-CG 3.27Å; G146-R148 PolarHBondContact O-N 3.42Å
149T98.9Very high98.6Very high2 Ų231 Ų311%0.01218%0.175CC..EExtended strand (participates in β ladder)trans-128.1118.3-176.5-60.10000110Y102 R106 W114 L121 A127 I128 I147 V151Y102-T149 HydrophobicContact CE2-CG2 4.01Å; Y102-T149 WeakPolarHBondContact CE2-OG1 3.13Å; Y102-T149 PolarHBondContact OH-OG1 2.92Å; R106-T149 PolarHBondContact NH2-OG1 3.36Å; W114-T149 HydrophobicContact CB-CG2 4.5Å; W114-T149 WeakPolarHBondContact O-CA 3.44Å; L121-T149 HydrophobicContact CB-CG2 4.41Å; L121-T149 HydrophobicContact CD1-CG2 3.93Å; A127-T149 VanDerWaalsContact CA-O 3.32Å; A127-T149 WeakPolarHBondContact CA-O 3.49Å; A127-T149 HydrophobicContact CB-CG2 3.76Å; I128-T149 PolarHBondContact N-O 2.95Å; I147-T149 WeakPolarHBondContact CG2-O 3.43Å; T149-V151 HydrophobicContact CG2-CG2 4.14Å
150F98.9Very high98.6Very high0 Ų031.1 Ų31.10%018%0.175CC..EExtended strand (participates in β ladder)trans-127.8124.1-172.9-66.4-83.7000108.7Y113 W114 I115 D116 I128 I130 I139 L143 I147 M382Y113-F150 HydrophobicContact CD1-CD2 4.34Å; Y113-F150 AromaticContact CD1-CE2 3.85Å; Y113-F150 HydrophobicContact CD1-CE2 3.85Å; Y113-F150 HydrophobicContact CE1-CE2 4.18Å; W114-F150 PolarHBondContact O-N 2.92Å; I115-F150 CarbonylContact C-O 3.54Å; I115-F150 VanDerWaalsContact CA-O 3.23Å; I115-F150 WeakPolarHBondContact CA-O 3.39Å; I115-F150 HydrophobicContact CG1-CB 4.43Å; D116-F150 PolarHBondContact N-O 2.82Å; I128-F150 HydrophobicContact CB-CD1 4.04Å; I128-F150 HydrophobicContact CB-CE1 4.16Å; I128-F150 HydrophobicContact CD1-CE1 4.21Å; I128-F150 HydrophobicContact CG2-CD1 4.2Å; I128-F150 HydrophobicContact CG2-CE1 4.38Å; I128-F150 CarbonylContact O-C 3.46Å; I128-F150 WeakPolarHBondContact O-CA 3.34Å; I130-F150 HydrophobicContact CD1-CB 4.36Å; I130-F150 HydrophobicContact CG2-CB 3.7Å; I130-F150 HydrophobicContact CG2-CD1 3.55Å; I130-F150 HydrophobicContact CG2-CG 4.08Å; I139-F150 HydrophobicContact CG2-CD1 4.49Å; I139-F150 HydrophobicContact CG2-CE1 4.04Å; L143-F150 HydrophobicContact CD2-CE1 4.34Å; L143-F150 HydrophobicContact CD2-CE2 3.7Å; L143-F150 HydrophobicContact CD2-CZ 3.34Å; L143-F150 HydrophobicContact CG-CE1 4.34Å; L143-F150 HydrophobicContact CG-CZ 3.72Å; I147-F150 HydrophobicContact CB-CZ 4.32Å; I147-F150 HydrophobicContact CG2-CE1 4.26Å; I147-F150 HydrophobicContact CG2-CE2 4.26Å; I147-F150 HydrophobicContact CG2-CZ 3.93Å; I147-F150 WeakPolarHBondContact O-CE2 3.43Å; F150-M382 HydrophobicContact CB-CG 3.99Å; F150-M382 HydrophobicContact CB-SD 4.33Å; F150-M382 HydrophobicContact CD1-CE 3.64Å; F150-M382 HydrophobicContact CD1-SD 3.77Å; F150-M382 HydrophobicContact CD2-CE 3.72Å; F150-M382 HydrophobicContact CE1-CE 3.67Å; F150-M382 HydrophobicContact CE1-SD 4.24Å; F150-M382 HydrophobicContact CE2-CE 3.76Å; F150-M382 HydrophobicContact CG-CE 3.67Å; F150-M382 HydrophobicContact CG-CG 4.15Å; F150-M382 HydrophobicContact CG-SD 3.96Å; F150-M382 HydrophobicContact CZ-CE 3.74Å
151V98.9Very high98.6Very high0 Ų028.6 Ų28.60%016%0.16CC..EExtended strand (participates in β ladder)trans-127.3129.3-167.9-168.80000109.8D116 A118 L121 R122 A127 I128 I129 I130 T149 G153D116-V151 HydrophobicContact CB-CG1 4.29Å; D116-V151 CarbonylContact O-C 3.52Å; D116-V151 WeakPolarHBondContact O-CA 3.47Å; A118-V151 WeakPolarHBondContact O-CG1 3.34Å; L121-V151 HydrophobicContact CB-CG2 3.83Å; R122-V151 HydrophobicContact CB-CG1 4.46Å; R122-V151 HydrophobicContact CG-CB 4.15Å; R122-V151 HydrophobicContact CG-CG1 3.44Å; R122-V151 VanDerWaalsContact CG-CG1 3.44Å; A127-V151 HydrophobicContact CB-CG2 4.3Å; I128-V151 PolarHBondContact O-N 3.19Å; I129-V151 CarbonylContact C-O 3.38Å; I129-V151 WeakPolarHBondContact CA-O 3.4Å; I129-V151 WeakPolarHBondContact CG2-O 3.44Å; I130-V151 WeakPolarHBondContact CG1-O 3.47Å; I130-V151 PolarHBondContact N-O 2.94Å; T149-V151 HydrophobicContact CG2-CG2 4.14Å; V151-G153 PolarHBondContact O-N 3.23Å
152G98.7Very high98.6Very high4 Ų423.9 Ų23.94%0.04114%0.135CC..EExtended strand (participates in β ladder)trans-61.7132.7172.400000110.9D116 R122D116-G152 PolarHBondContact O-N 3.46Å; R122-G152 PolarHBondContact NE-O 2.78Å; R122-G152 PolarHBondContact NH2-O 2.87Å
153G98.3Very high98.6Very high4 Ų423.6 Ų23.64%0.04113%0.131CC..PPolyproline II helixtrans-66.7170.8175.500000113.3R122 V151 E268R122-G153 PolarHBondContact NH2-O 2.83Å; V151-G153 PolarHBondContact O-N 3.23Å; G153-E268 WeakPolarHBondContact CA-OE2 3.47Å
154N98.5Very high98.6Very high10 Ų1022 Ų225%0.05312%0.123CC..PPolyproline II helixtrans-64.4142.3174.8-157.965.7000110.4R122 T156 V157 S158 E261 K264 E268R122-N154 PolarHBondContact NH1-OD1 3.39Å; N154-T156 VanDerWaalsContact C-N 3.26Å; N154-T156 PolarHBondContact ND2-OG1 3.29Å; N154-T156 PolarHBondContact O-N 2.8Å; N154-V157 HydrophobicContact CB-CG2 4.42Å; N154-V157 PolarHBondContact O-N 2.91Å; N154-S158 PolarHBondContact O-N 3.22Å; N154-S158 PolarHBondContact O-OG 2.89Å; N154-E261 PolarHBondContact ND2-OE1 3.21Å; N154-K264 HydrophobicContact CB-CB 4.33Å; N154-K264 HydrophobicContact CB-CD 3.95Å; N154-K264 VanDerWaalsContact CG-CD 3.44Å; N154-K264 VanDerWaalsContact OD1-CD 3.28Å; N154-K264 WeakPolarHBondContact OD1-CD 3.14Å; N154-K264 PolarHBondContact OD1-NZ 2.85Å; N154-E268 WeakPolarHBondContact CB-OE2 3.23Å; N154-E268 PolarHBondContact N-OE2 3.37Å
155C97.7Very high98.6Very high9 Ų916.1 Ų16.16%0.0619%0.092CC..Hα-helixtrans-55.8-39.5-175.749.60000113.5L159 H294 Q370 G374C155-L159 VanDerWaalsContact O-CB 3.29Å; C155-L159 WeakPolarHBondContact O-CB 3.28Å; C155-L159 WeakPolarHBondContact O-CG 3.14Å; C155-L159 PolarHBondContact O-N 3.33Å; C155-H294 PolarHBondContact SG-NE2 3.41Å; C155-H294 VanDerWaalsContact SG-NE2 3.43Å; C155-Q370 HydrophobicContact CB-CG 3.62Å; C155-G374 WeakPolarHBondContact CB-O 3.41Å
156T98.3Very high98.7Very high7 Ų79.4 Ų9.44%0.0436%0.056CC..Hα-helixtrans-61-48.4176.852.10000112N154 M160 T180 Q182 Q296N154-T156 VanDerWaalsContact C-N 3.26Å; N154-T156 PolarHBondContact ND2-OG1 3.29Å; N154-T156 PolarHBondContact O-N 2.8Å; T156-M160 VanDerWaalsContact O-CB 3.27Å; T156-M160 WeakPolarHBondContact O-CB 3.45Å; T156-M160 PolarHBondContact O-N 3.48Å; T156-T180 HydrophobicContact CG2-CG2 4.4Å; T156-Q182 HydrophobicContact CG2-CG 4.26Å; T156-Q296 PolarHBondContact O-NE2 2.65Å; T156-Q296 VanDerWaalsContact O-NE2 3.09Å; T156-Q296 PolarHBondContact O-OE1 3.12Å
157V98.8Very high98.7Very high2 Ų27.7 Ų7.71%0.0124%0.038CC..Hα-helixtrans-67.3-48.4-178.9177.20000111.1N154 L159 M160 L161 E268 I272N154-V157 HydrophobicContact CB-CG2 4.42Å; N154-V157 PolarHBondContact O-N 2.91Å; V157-L159 PolarHBondContact O-N 3.08Å; V157-M160 PolarHBondContact O-N 3.05Å; V157-L161 HydrophobicContact CG1-CD1 3.86Å; V157-L161 HydrophobicContact CG1-CG 4.32Å; V157-L161 WeakPolarHBondContact O-CB 3.34Å; V157-L161 WeakPolarHBondContact O-CG 3.42Å; V157-L161 PolarHBondContact O-N 3.5Å; V157-E268 HydrophobicContact CG1-CB 4.23Å; V157-E268 HydrophobicContact CG2-CB 4.25Å; V157-I272 HydrophobicContact CG1-CD1 3.7Å
158S98.8Very high98.7Very high1 Ų16.9 Ų6.91%0.0073%0.033CC..Hα-helixtrans-58.8-47178.8-57.10000111.4N154 L161 M162 W373N154-S158 PolarHBondContact O-N 3.22Å; N154-S158 PolarHBondContact O-OG 2.89Å; S158-L161 PolarHBondContact O-N 2.82Å; S158-M162 WeakPolarHBondContact O-CB 3.44Å; S158-M162 VanDerWaalsContact O-CG 3.22Å; S158-M162 WeakPolarHBondContact O-CG 3.33Å; S158-M162 PolarHBondContact O-N 3.41Å; S158-W373 WeakPolarHBondContact CB-O 3.29Å
159L98.8Very high98.7Very high0 Ų06.1 Ų6.10%05%0.045CC..Hα-helixtrans-69.8-33.8179.7-65.2178000112.9C155 V157 S163 H294 T347 G368 W373C155-L159 VanDerWaalsContact O-CB 3.29Å; C155-L159 WeakPolarHBondContact O-CB 3.28Å; C155-L159 WeakPolarHBondContact O-CG 3.14Å; C155-L159 PolarHBondContact O-N 3.33Å; V157-L159 PolarHBondContact O-N 3.08Å; L159-S163 WeakPolarHBondContact O-CB 3.37Å; L159-S163 PolarHBondContact O-N 3.25Å; L159-S163 PolarHBondContact O-OG 3.32Å; L159-H294 HydrophobicContact CD1-CB 3.93Å; L159-T347 HydrophobicContact CD2-CG2 4.1Å; L159-G368 WeakPolarHBondContact CD1-O 3.28Å; L159-W373 HydrophobicContact CD2-CB 3.68Å
160M98.9Very high98.6Very high4 Ų410 Ų102%0.027%0.065CC..Hα-helixtrans-62.7-53172.9177.4-172.474.600110.3T156 V157 M162 S163 L164 F168 V176 T269 V281 F298T156-M160 VanDerWaalsContact O-CB 3.27Å; T156-M160 WeakPolarHBondContact O-CB 3.45Å; T156-M160 PolarHBondContact O-N 3.48Å; V157-M160 PolarHBondContact O-N 3.05Å; M160-M162 PolarHBondContact O-N 3.44Å; M160-S163 PolarHBondContact O-N 2.89Å; M160-S163 VanDerWaalsContact O-N 3.13Å; M160-L164 HydrophobicContact CG-CD1 3.86Å; M160-L164 HydrophobicContact CG-CG 4.48Å; M160-L164 WeakPolarHBondContact O-CB 3.36Å; M160-L164 PolarHBondContact O-N 3.13Å; M160-F168 HydrophobicContact CE-CE2 4.49Å; M160-F168 HydrophobicContact CE-CZ 4.2Å; M160-V176 HydrophobicContact SD-CG1 4.47Å; M160-T269 HydrophobicContact CE-CG2 4.09Å; M160-T269 VanDerWaalsContact CE-OG1 3.28Å; M160-T269 WeakPolarHBondContact CE-OG1 3.43Å; M160-V281 HydrophobicContact CE-CG1 4.43Å; M160-V281 HydrophobicContact SD-CG1 4.38Å; M160-F298 HydrophobicContact CB-CE1 4.27Å; M160-F298 HydrophobicContact CB-CZ 4.18Å; M160-F298 HydrophobicContact CG-CE1 3.59Å; M160-F298 HydrophobicContact CG-CZ 3.83Å; M160-F298 HydrophobicContact SD-CE1 3.85Å
161L98.9Very high98.6Very high0 Ų014.6 Ų14.60%09%0.09CC..Hα-helixtrans-68.7-34-176.9-69179.5000112.7L131 V134 V157 S158 S163 G165 F168 T269 I272 L273L131-L161 HydrophobicContact CD2-CB 3.71Å; L131-L161 HydrophobicContact CD2-CD1 4.32Å; V134-L161 HydrophobicContact CG1-CB 4.26Å; V134-L161 HydrophobicContact CG1-CD1 4.4Å; V134-L161 HydrophobicContact CG2-CB 4.1Å; V157-L161 HydrophobicContact CG1-CD1 3.86Å; V157-L161 HydrophobicContact CG1-CG 4.32Å; V157-L161 WeakPolarHBondContact O-CB 3.34Å; V157-L161 WeakPolarHBondContact O-CG 3.42Å; V157-L161 PolarHBondContact O-N 3.5Å; S158-L161 PolarHBondContact O-N 2.82Å; L161-S163 VanDerWaalsContact C-N 3.26Å; L161-S163 PolarHBondContact O-N 2.88Å; L161-G165 WeakPolarHBondContact O-CA 3.43Å; L161-G165 PolarHBondContact O-N 3.44Å; L161-F168 HydrophobicContact CD2-CD1 4.49Å; L161-F168 HydrophobicContact CD2-CD2 3.76Å; L161-F168 HydrophobicContact CD2-CE2 3.82Å; L161-F168 HydrophobicContact CD2-CG 4.11Å; L161-F168 HydrophobicContact CD2-CZ 4.2Å; L161-T269 HydrophobicContact CD2-CG2 4.17Å; L161-I272 HydrophobicContact CD1-CB 4.05Å; L161-I272 HydrophobicContact CD1-CD1 3.84Å; L161-I272 HydrophobicContact CD1-CG2 3.69Å; L161-L273 HydrophobicContact CD2-CD1 4.18Å; L161-L273 HydrophobicContact CD2-CD2 4.48Å
162M98.9Very high98.6Very high0 Ų015 Ų150%09%0.092CC..Hα-helixtrans-60.2-38.4170.5-75.9-59.5-61.100112L131 P133 V134 S158 M160 N319 W321 A322 T347 W373L131-M162 HydrophobicContact CD1-CG 3.98Å; L131-M162 HydrophobicContact CD1-SD 3.88Å; L131-M162 HydrophobicContact CD2-CG 4.38Å; L131-M162 HydrophobicContact CG-CG 4.5Å; L131-M162 HydrophobicContact CG-SD 4.19Å; P133-M162 HydrophobicContact CB-CE 4.15Å; P133-M162 HydrophobicContact CB-SD 3.91Å; P133-M162 HydrophobicContact CG-CE 4.03Å; P133-M162 HydrophobicContact CG-SD 3.82Å; V134-M162 HydrophobicContact CG2-SD 4.41Å; S158-M162 WeakPolarHBondContact O-CB 3.44Å; S158-M162 VanDerWaalsContact O-CG 3.22Å; S158-M162 WeakPolarHBondContact O-CG 3.33Å; S158-M162 PolarHBondContact O-N 3.41Å; M160-M162 PolarHBondContact O-N 3.44Å; M162-N319 PolarHBondContact O-ND2 2.82Å; M162-W321 HydrophobicContact CE-CB 3.97Å; M162-W321 HydrophobicContact CE-CD2 4.12Å; M162-W321 HydrophobicContact CE-CE3 3.58Å; M162-W321 HydrophobicContact CE-CG 4.3Å; M162-W321 HydrophobicContact CE-CZ3 4.39Å; M162-A322 WeakPolarHBondContact O-CB 3.24Å; M162-T347 HydrophobicContact CB-CG2 3.95Å; M162-W373 HydrophobicContact CE-CD2 3.78Å; M162-W373 HydrophobicContact CE-CE3 4.13Å; M162-W373 HydrophobicContact CE-CG 4.3Å; M162-W373 HydrophobicContact CE-CH2 4.08Å; M162-W373 HydrophobicContact CE-CZ2 3.73Å; M162-W373 HydrophobicContact CE-CZ3 4.27Å; M162-W373 HydrophobicContact CG-CB 4.3Å; M162-W373 HydrophobicContact CG-CD2 4.18Å; M162-W373 HydrophobicContact CG-CE3 4.28Å; M162-W373 HydrophobicContact CG-CG 4.19Å; M162-W373 HydrophobicContact SD-CD2 4.09Å; M162-W373 HydrophobicContact SD-CE3 3.93Å; M162-W373 HydrophobicContact SD-CH2 4.44Å; M162-W373 HydrophobicContact SD-CZ3 4.11Å
163S98.9Very high98.6Very high0 Ų014.9 Ų14.90%09%0.09CC..Hα-helixtrans-84.4-32.7-177.2-520000113.4L159 M160 L161 T347L159-S163 WeakPolarHBondContact O-CB 3.37Å; L159-S163 PolarHBondContact O-N 3.25Å; L159-S163 PolarHBondContact O-OG 3.32Å; M160-S163 PolarHBondContact O-N 2.89Å; M160-S163 VanDerWaalsContact O-N 3.13Å; L161-S163 VanDerWaalsContact C-N 3.26Å; L161-S163 PolarHBondContact O-N 2.88Å; S163-T347 PolarHBondContact OG-O 2.8Å
164L98.9Very high98.6Very high0 Ų017.6 Ų17.60%010%0.104CC..Hα-helixtrans-1113-172.2-58-176.8000113.6M160 G166 L167 F168 F298 I300 L315 V349 A364 T366M160-L164 HydrophobicContact CG-CD1 3.86Å; M160-L164 HydrophobicContact CG-CG 4.48Å; M160-L164 WeakPolarHBondContact O-CB 3.36Å; M160-L164 PolarHBondContact O-N 3.13Å; L164-G166 PolarHBondContact O-N 2.85Å; L164-G166 VanDerWaalsContact O-N 3.09Å; L164-L167 PolarHBondContact O-N 2.64Å; L164-F168 HydrophobicContact CB-CD2 4.25Å; L164-F168 HydrophobicContact CB-CE2 4Å; L164-F168 WeakPolarHBondContact O-CD2 3.27Å; L164-F298 HydrophobicContact CD1-CD1 4.12Å; L164-F298 HydrophobicContact CD1-CD2 4.24Å; L164-F298 HydrophobicContact CD1-CE1 4.08Å; L164-F298 HydrophobicContact CD1-CE2 4.2Å; L164-F298 HydrophobicContact CD1-CG 4.18Å; L164-F298 HydrophobicContact CD1-CZ 4.1Å; L164-I300 HydrophobicContact CD1-CD1 3.88Å; L164-I300 HydrophobicContact CD2-CD1 4.34Å; L164-L315 HydrophobicContact CD2-CD2 4.43Å; L164-V349 HydrophobicContact CD2-CG2 4.03Å; L164-A364 HydrophobicContact CD2-CB 4.22Å; L164-T366 HydrophobicContact CD2-CG2 4.29Å
165G98.5Very high98.6Very high1 Ų121 Ų211%0.0112%0.116CC..Hα-helixtrans-50.9-39.4-171.900000113.4L161 L167 F168 A169 H318L161-G165 WeakPolarHBondContact O-CA 3.43Å; L161-G165 PolarHBondContact O-N 3.44Å; G165-L167 PolarHBondContact O-N 3Å; G165-L167 VanDerWaalsContact O-N 3.16Å; G165-F168 PolarHBondContact O-N 3.37Å; G165-A169 WeakPolarHBondContact O-CB 3.47Å; G165-A169 PolarHBondContact O-N 3.29Å; G165-H318 VanDerWaalsContact C-NE2 3.33Å; G165-H318 PolarHBondContact O-CD2 3.29Å; G165-H318 PolarHBondContact O-NE2 3.12Å
166G98.6Very high98.7Very high1 Ų120.8 Ų20.81%0.0111%0.114CC..Hα-helixtrans-54.2-35.3176.700000114.6L164 N170 L314 H318L164-G166 PolarHBondContact O-N 2.85Å; L164-G166 VanDerWaalsContact O-N 3.09Å; G166-N170 WeakPolarHBondContact O-CB 3.4Å; G166-N170 PolarHBondContact O-N 2.9Å; G166-N170 PolarHBondContact O-ND2 3.17Å; G166-L314 WeakPolarHBondContact CA-O 3.47Å; G166-H318 VanDerWaalsContact CA-CD2 3.5Å; G166-H318 WeakPolarHBondContact CA-CD2 3.4Å; G166-H318 PolarHBondContact N-CD2 3.24Å
167L98.8Very high98.7Very high1 Ų123 Ų231%0.00513%0.131CC..Hα-helixtrans-74.8-40.4177.3-65.1173.8000112.1L164 G165 L172 V173 I300 L302 V311 L315 L362L164-L167 PolarHBondContact O-N 2.64Å; G165-L167 PolarHBondContact O-N 3Å; G165-L167 VanDerWaalsContact O-N 3.16Å; L167-L172 HydrophobicContact CD2-CD1 3.95Å; L167-L172 WeakPolarHBondContact O-CB 3.12Å; L167-L172 PolarHBondContact O-N 2.87Å; L167-V173 HydrophobicContact CB-CG2 3.86Å; L167-I300 HydrophobicContact CD1-CD1 4.26Å; L167-L302 HydrophobicContact CD2-CD2 4.43Å; L167-V311 HydrophobicContact CD2-CG1 4.25Å; L167-V311 HydrophobicContact CD2-CG2 4.35Å; L167-L315 HydrophobicContact CD1-CD2 4.17Å; L167-L315 HydrophobicContact CG-CD2 3.79Å; L167-L315 HydrophobicContact CG-CG 4.36Å; L167-L362 HydrophobicContact CD1-CD2 3.65Å
168F98.7Very high98.7Very high16 Ų1623.7 Ų23.77%0.0714%0.135CC..Hα-helixtrans-70.5-44.1178.7-71.8-85.7000111.6M160 L161 L164 G165 N170 D171 V173 V176 T269 L273 I279M160-F168 HydrophobicContact CE-CE2 4.49Å; M160-F168 HydrophobicContact CE-CZ 4.2Å; L161-F168 HydrophobicContact CD2-CD1 4.49Å; L161-F168 HydrophobicContact CD2-CD2 3.76Å; L161-F168 HydrophobicContact CD2-CE2 3.82Å; L161-F168 HydrophobicContact CD2-CG 4.11Å; L161-F168 HydrophobicContact CD2-CZ 4.2Å; L164-F168 HydrophobicContact CB-CD2 4.25Å; L164-F168 HydrophobicContact CB-CE2 4Å; L164-F168 WeakPolarHBondContact O-CD2 3.27Å; G165-F168 PolarHBondContact O-N 3.37Å; F168-N170 PolarHBondContact O-N 3.39Å; F168-D171 PolarHBondContact O-N 2.89Å; F168-V173 HydrophobicContact CD1-CB 4.2Å; F168-V173 HydrophobicContact CD1-CG2 4.01Å; F168-V173 HydrophobicContact CD2-CG2 4.25Å; F168-V173 HydrophobicContact CE1-CB 4.08Å; F168-V173 HydrophobicContact CE1-CG1 3.95Å; F168-V173 HydrophobicContact CE1-CG2 4.02Å; F168-V173 HydrophobicContact CE2-CG2 4.24Å; F168-V173 HydrophobicContact CG-CG2 4.14Å; F168-V173 HydrophobicContact CZ-CG1 4.21Å; F168-V173 HydrophobicContact CZ-CG2 4.14Å; F168-V176 HydrophobicContact CZ-CG2 3.97Å; F168-T269 HydrophobicContact CE1-CG2 4.13Å; F168-L273 HydrophobicContact CB-CD1 3.96Å; F168-L273 HydrophobicContact CB-CD2 4.28Å; F168-L273 HydrophobicContact CD1-CD1 3.41Å; F168-L273 VanDerWaalsContact CD1-CD1 3.41Å; F168-L273 HydrophobicContact CE1-CD1 4.09Å; F168-L273 HydrophobicContact CG-CD1 3.88Å; F168-I279 HydrophobicContact CD1-CD1 3.95Å; F168-I279 HydrophobicContact CE1-CD1 4.18Å; F168-I279 HydrophobicContact CE1-CG2 4.31Å
169A98Very high98.7Very high67 Ų6725.5 Ų25.555%0.55415%0.15SC*.Hα-helixtrans-61-26177.600000113.2G165G165-A169 WeakPolarHBondContact O-CB 3.47Å; G165-A169 PolarHBondContact O-N 3.29Å
170N98.5Very high98.7Very high83 Ų8325.6 Ų25.644%0.44415%0.15SC..THydrogen-bonded Turntrans-97.612.8177.1-74.4-87000113.5G166 F168 L172 L314G166-N170 WeakPolarHBondContact O-CB 3.4Å; G166-N170 PolarHBondContact O-N 2.9Å; G166-N170 PolarHBondContact O-ND2 3.17Å; F168-N170 PolarHBondContact O-N 3.39Å; N170-L172 HydrophobicContact CB-CD1 4.11Å; N170-L172 HydrophobicContact CB-CG 3.9Å; N170-L172 PolarHBondContact O-N 2.79Å; N170-L172 VanDerWaalsContact O-N 3.16Å; N170-L314 HydrophobicContact CB-CD1 4.42Å
171D98.3Very high98.7Very high97 Ų9730.3 Ų30.352%0.51917%0.169SC..THydrogen-bonded Turntrans5236.3-179.7-167.447.6000113.6F168 K303F168-D171 PolarHBondContact O-N 2.89Å; D171-K303 WeakPolarHBondContact O-CD 3.18Å; D171-K303 WeakPolarHBondContact O-CE 3.16Å; D171-K303 IonicContact OD1-NZ 2.64Å; D171-K303 PolarHBondContact OD1-NZ 3.13Å; D171-K303 IonicContact OD2-NZ 2.77Å; D171-K303 PolarHBondContact OD2-NZ 3.34Å
172L98.7Very high98.7Very high8 Ų830.3 Ų30.34%0.04217%0.169CC..  trans-90.6-15.1-175.8-64-179.1000113.6L167 N170 L302 K303 K304 V306 L314L167-L172 HydrophobicContact CD2-CD1 3.95Å; L167-L172 WeakPolarHBondContact O-CB 3.12Å; L167-L172 PolarHBondContact O-N 2.87Å; N170-L172 HydrophobicContact CB-CD1 4.11Å; N170-L172 HydrophobicContact CB-CG 3.9Å; N170-L172 PolarHBondContact O-N 2.79Å; N170-L172 VanDerWaalsContact O-N 3.16Å; L172-L302 HydrophobicContact CB-CD2 4.42Å; L172-L302 CarbonylContact O-C 3.57Å; L172-L302 WeakPolarHBondContact O-CA 3.29Å; L172-K303 PolarHBondContact O-N 3.47Å; L172-K304 HydrophobicContact CD2-CD 4.43Å; L172-K304 HydrophobicContact CD2-CG 4.35Å; L172-V306 HydrophobicContact CD1-CG2 4.21Å; L172-V306 HydrophobicContact CD2-CG2 4.11Å; L172-L314 HydrophobicContact CD1-CD1 3.57Å
173V98.8Very high98.7Very high1 Ų130.3 Ų30.31%0.00617%0.169CC..EExtended strand (participates in β ladder)trans-88.5123.9-173-177.70000110.5L167 F168 V176 I279 I300 K303L167-V173 HydrophobicContact CB-CG2 3.86Å; F168-V173 HydrophobicContact CD1-CB 4.2Å; F168-V173 HydrophobicContact CD1-CG2 4.01Å; F168-V173 HydrophobicContact CD2-CG2 4.25Å; F168-V173 HydrophobicContact CE1-CB 4.08Å; F168-V173 HydrophobicContact CE1-CG1 3.95Å; F168-V173 HydrophobicContact CE1-CG2 4.02Å; F168-V173 HydrophobicContact CE2-CG2 4.24Å; F168-V173 HydrophobicContact CG-CG2 4.14Å; F168-V173 HydrophobicContact CZ-CG1 4.21Å; F168-V173 HydrophobicContact CZ-CG2 4.14Å; V173-V176 HydrophobicContact CG1-CG2 3.55Å; V173-I279 HydrophobicContact CB-CG2 4.49Å; V173-I279 HydrophobicContact CG1-CG2 3.79Å; V173-I300 HydrophobicContact CG1-CG2 4.42Å; V173-I300 HydrophobicContact CG2-CG2 4.48Å; V173-K303 WeakPolarHBondContact O-CE 3.38Å
174D98.8Very high98.7Very high61 Ų6130.3 Ų30.333%0.32617%0.169SC..EExtended strand (participates in β ladder)trans-86-55.8169.9-174.73.8000109.1P280 K301 K303D174-P280 WeakPolarHBondContact O-CD 3.28Å; D174-K301 HydrophobicContact CB-CB 4.1Å; D174-K301 HydrophobicContact CB-CG 3.63Å; D174-K301 WeakPolarHBondContact CB-O 3.48Å; D174-K301 PolarHBondContact N-O 3.05Å; D174-K301 VanDerWaalsContact OD2-CG 3.24Å; D174-K301 WeakPolarHBondContact OD2-CG 3.41Å; D174-K301 IonicContact OD2-NZ 3.2Å; D174-K301 PolarHBondContact OD2-NZ 2.77Å; D174-K303 HydrophobicContact CB-CG 4.06Å
175W98.9Very high98.7Very high82 Ų8230.5 Ų30.531%0.31117%0.17SC..EExtended strand (participates in β ladder)trans-154.4162.8172.155.8-101.4000111.8P280 T299 K301 F361W175-P280 WeakPolarHBondContact CA-O 3.13Å; W175-P280 HydrophobicContact CB-CB 3.94Å; W175-P280 HydrophobicContact CB-CG 4.23Å; W175-P280 WeakPolarHBondContact CB-O 3.31Å; W175-T299 HydrophobicContact CH2-CG2 3.83Å; W175-T299 HydrophobicContact CZ3-CG2 3.9Å; W175-T299 WeakPolarHBondContact CZ3-O 3.5Å; W175-K301 HydrophobicContact CD2-CB 3.55Å; W175-K301 HydrophobicContact CE3-CB 4.17Å; W175-K301 HydrophobicContact CG-CB 3.9Å; W175-K301 HydrophobicContact CH2-CB 4.17Å; W175-K301 HydrophobicContact CZ2-CB 3.58Å; W175-K301 HydrophobicContact CZ2-CG 4.3Å; W175-K301 HydrophobicContact CZ3-CB 4.43Å; W175-K301 PolarHBondContact N-O 3.36Å; W175-K301 VanDerWaalsContact NE1-CB 3.34Å; W175-K301 PolarHBondContact O-N 3.32Å; W175-F361 HydrophobicContact CH2-CD1 4.4Å; W175-F361 HydrophobicContact CH2-CE1 4.07Å; W175-F361 HydrophobicContact CZ2-CD1 4.46Å; W175-F361 AromaticContact CZ2-CE1 3.79Å; W175-F361 HydrophobicContact CZ2-CE1 3.79Å
176V98.9Very high98.5Very high4 Ų432.1 Ų32.12%0.02419%0.187CC..EExtended strand (participates in β ladder)trans-127.4129.6176.8-177.80000110.8M160 F168 V173 P280 V281 D282 F298 I300M160-V176 HydrophobicContact SD-CG1 4.47Å; F168-V176 HydrophobicContact CZ-CG2 3.97Å; V173-V176 HydrophobicContact CG1-CG2 3.55Å; V176-P280 PolarHBondContact N-O 3.47Å; V176-V281 HydrophobicContact CB-CG1 4.39Å; V176-V281 HydrophobicContact CB-CG2 4.35Å; V176-V281 WeakPolarHBondContact O-CA 3.39Å; V176-D282 PolarHBondContact O-N 2.8Å; V176-D282 VanDerWaalsContact O-N 3.07Å; V176-F298 HydrophobicContact CG1-CD1 3.75Å; V176-F298 HydrophobicContact CG1-CE1 4.5Å; V176-I300 HydrophobicContact CG1-CG1 4.38Å; V176-I300 HydrophobicContact CG2-CG1 4.41Å; V176-I300 HydrophobicContact CG2-CG2 4.37Å
177S98.9Very high98.1Very high55 Ų5533.7 Ų33.739%0.38520%0.203SC..EExtended strand (participates in β ladder)trans-106.9132.8162.8-178.60000109.7D282 F298 T299S177-D282 CarbonylContact C-O 3.01Å; S177-D282 VanDerWaalsContact CA-O 3.24Å; S177-D282 WeakPolarHBondContact CA-O 3.5Å; S177-F298 WeakPolarHBondContact O-CA 3.47Å; S177-T299 PolarHBondContact N-O 2.64Å; S177-T299 PolarHBondContact O-N 3.18Å
178V98.8Very high97.9Very high16 Ų1634.6 Ų34.610%0.09721%0.212CC..EExtended strand (participates in β ladder)trans-125.7139.8-177.466.80000112.8T180 D282 G283 L284 Q296 A297 F298V178-T180 HydrophobicContact CG1-CG2 4.33Å; V178-T180 HydrophobicContact CG2-CG2 3.84Å; V178-D282 PolarHBondContact N-O 3.24Å; V178-G283 CarbonylContact O-C 3.51Å; V178-G283 WeakPolarHBondContact O-CA 3.36Å; V178-L284 PolarHBondContact O-N 3.16Å; V178-Q296 HydrophobicContact CG2-CB 3.96Å; V178-Q296 HydrophobicContact CG2-CG 4.41Å; V178-A297 CarbonylContact C-O 3.51Å; V178-A297 WeakPolarHBondContact CA-O 3.39Å; V178-F298 HydrophobicContact CB-CD1 3.88Å; V178-F298 HydrophobicContact CB-CE1 4.01Å; V178-F298 HydrophobicContact CG2-CD1 3.65Å; V178-F298 HydrophobicContact CG2-CE1 3.45Å; V178-F298 VanDerWaalsContact CG2-CE1 3.45Å; V178-F298 HydrophobicContact CG2-CZ 4.18Å
179A98.9Very high97.7Very high39 Ų3936.3 Ų36.332%0.32223%0.23SC..EExtended strand (participates in β ladder)trans-116.1113.8162.700000108.3A297A179-A297 PolarHBondContact N-O 2.89Å; A179-A297 PolarHBondContact O-N 3.42Å
180T98.9Very high97.6Very high2 Ų242.3 Ų42.31%0.01224%0.238CC..EExtended strand (participates in β ladder)trans-95.6149.2-174.876.90000111.8T156 V178 Q182 L284 C285 V286 Q296T156-T180 HydrophobicContact CG2-CG2 4.4Å; V178-T180 HydrophobicContact CG1-CG2 4.33Å; V178-T180 HydrophobicContact CG2-CG2 3.84Å; T180-Q182 WeakPolarHBondContact OG1-CG 3.22Å; T180-Q182 PolarHBondContact OG1-NE2 3.06Å; T180-L284 PolarHBondContact N-O 3.09Å; T180-C285 VanDerWaalsContact OG1-CA 3.29Å; T180-C285 WeakPolarHBondContact OG1-CA 3.39Å; T180-V286 WeakPolarHBondContact O-CB 3.41Å; T180-V286 PolarHBondContact O-N 3.27Å; T180-V286 PolarHBondContact OG1-N 2.77Å; T180-Q296 HydrophobicContact CG2-CG 4.19Å
181Y98.9Very high97.6Very high103 Ų10340.1 Ų40.140%0.40423%0.225SC..EExtended strand (participates in β ladder)trans-120.483.5172.6-53.8-97.2000107.6V288 S295 A297 F365Y181-V288 HydrophobicContact CD1-CG1 4.17Å; Y181-S295 PolarHBondContact N-O 3.35Å; Y181-S295 PolarHBondContact O-N 2.69Å; Y181-A297 HydrophobicContact CE2-CB 4.02Å; Y181-F365 HydrophobicContact CD2-CE2 4.17Å; Y181-F365 AromaticContact CE2-CE2 3.94Å; Y181-F365 HydrophobicContact CE2-CE2 3.94Å
182Q98.9Very high97.6Very high0 Ų037.3 Ų37.30%021%0.209CC..EExtended strand (participates in β ladder)trans-89.9137.4-169.9-61.5-177.13700112.4T156 T180 I250 C285 V286 R287 V288T156-Q182 HydrophobicContact CG2-CG 4.26Å; T180-Q182 WeakPolarHBondContact OG1-CG 3.22Å; T180-Q182 PolarHBondContact OG1-NE2 3.06Å; Q182-I250 HydrophobicContact CB-CD1 3.92Å; Q182-I250 HydrophobicContact CG-CD1 4.04Å; Q182-C285 PolarHBondContact NE2-SG 3.32Å; Q182-V286 PolarHBondContact N-O 2.93Å; Q182-R287 WeakPolarHBondContact O-CA 3.37Å; Q182-R287 WeakPolarHBondContact O-CD 3.39Å; Q182-V288 PolarHBondContact O-N 2.98Å
183A98.7Very high97.6Very high0 Ų046 Ų460%024%0.241CC..  trans-74.5162.8177.100000114.2S185 G186 R287 A290 C293 H294A183-S185 VanDerWaalsContact C-N 3.32Å; A183-S185 PolarHBondContact O-N 2.78Å; A183-G186 PolarHBondContact O-N 2.86Å; A183-R287 VanDerWaalsContact O-CD 3.28Å; A183-R287 WeakPolarHBondContact O-CD 3.44Å; A183-R287 PolarHBondContact O-NH1 2.98Å; A183-A290 CarbonylContact C-O 3.57Å; A183-A290 VanDerWaalsContact CA-O 3.22Å; A183-A290 WeakPolarHBondContact CA-O 3.4Å; A183-A290 HydrophobicContact CB-CB 4.01Å; A183-A290 VanDerWaalsContact CB-O 3.27Å; A183-A290 WeakPolarHBondContact CB-O 3.41Å; A183-C293 WeakPolarHBondContact CB-O 3.28Å; A183-H294 PolarHBondContact N-CE1 3.08Å; A183-H294 PolarHBondContact N-ND1 3.31Å
184A98.6Very high97.6Very high0 Ų046.4 Ų46.40%024%0.243CC..G310 helixtrans-64.7-27.3177.600000114.2G186 G187 M192 L195 F238 L242 A290A184-G186 PolarHBondContact O-N 2.79Å; A184-G186 VanDerWaalsContact O-N 3.14Å; A184-G187 PolarHBondContact O-N 2.77Å; A184-M192 HydrophobicContact CB-CG 4.07Å; A184-L195 HydrophobicContact CB-CB 4.33Å; A184-L195 HydrophobicContact CB-CD2 3.86Å; A184-F238 HydrophobicContact CB-CE2 4.48Å; A184-F238 HydrophobicContact CB-CZ 3.92Å; A184-L242 HydrophobicContact CB-CD2 4.46Å; A184-A290 PolarHBondContact N-O 3.43Å
185S98Very high97.6Very high3 Ų343.5 Ų43.52%0.02123%0.228CC..G310 helixtrans-58.1-26.717867.80000113.6M32 A183 G187 G188 L291 R292 Q370M32-S185 WeakPolarHBondContact CE-O 3.23Å; A183-S185 VanDerWaalsContact C-N 3.32Å; A183-S185 PolarHBondContact O-N 2.78Å; S185-G187 PolarHBondContact O-N 3.37Å; S185-G188 PolarHBondContact O-N 3.01Å; S185-L291 VanDerWaalsContact CB-O 3.28Å; S185-L291 WeakPolarHBondContact CB-O 2.99Å; S185-L291 PolarHBondContact N-O 3.21Å; S185-R292 WeakPolarHBondContact OG-CA 3.42Å; S185-Q370 PolarHBondContact OG-OE1 3.5Å
186G94.7Very high97.6Very high36 Ų3643.8 Ų43.837%0.37124%0.235SC..G310 helixtrans-64.2-25.4174.500000113.8A183 A184A183-G186 PolarHBondContact O-N 2.86Å; A184-G186 PolarHBondContact O-N 2.79Å; A184-G186 VanDerWaalsContact O-N 3.14Å
187G91.7Very high97.6Very high33 Ų3346.8 Ų46.834%0.3425%0.253SS..THydrogen-bonded Turntrans-84.6-20.1171.400000113.3A184 S185 H191A184-G187 PolarHBondContact O-N 2.77Å; S185-G187 PolarHBondContact O-N 3.37Å; G187-H191 PolarHBondContact O-CE1 3.15Å; G187-H191 PolarHBondContact O-ND1 2.92Å
188G93.6Very high97.6Very high20 Ų2044.1 Ų44.121%0.20624%0.235CC..  trans116.3176-179.700000114.3S185 R190 H191 M192S185-G188 PolarHBondContact O-N 3.01Å; G188-R190 VanDerWaalsContact C-N 3.29Å; G188-R190 PolarHBondContact O-N 2.97Å; G188-H191 WeakPolarHBondContact O-CB 3.48Å; G188-H191 PolarHBondContact O-N 2.97Å; G188-H191 VanDerWaalsContact O-N 3.15Å; G188-M192 PolarHBondContact O-N 2.95Å
189A94.9Very high97.6Very high53 Ų5347.3 Ų47.344%0.43825%0.25SC..Hα-helixtrans-61.1-33.2-174.300000114M32 M192 R193M32-A189 HydrophobicContact CB-CB 4.48Å; M32-A189 HydrophobicContact SD-CB 4.09Å; A189-M192 PolarHBondContact O-N 2.86Å; A189-R193 PolarHBondContact O-N 3.4Å; A189-R193 VanDerWaalsContact O-N 3.15Å
190R96.5Very high97.6Very high192 Ų19247.4 Ų47.473%0.72525%0.254SS*.Hα-helixtrans-67.2-38.9177.8-61-175.2-176.5-154.71.4111.9G188 R193 E194 N237G188-R190 VanDerWaalsContact C-N 3.29Å; G188-R190 PolarHBondContact O-N 2.97Å; R190-R193 WeakPolarHBondContact O-CB 3.33Å; R190-R193 PolarHBondContact O-N 3.17Å; R190-E194 WeakPolarHBondContact O-CB 3.37Å; R190-E194 PolarHBondContact O-N 3.22Å; R190-N237 WeakPolarHBondContact CB-OD1 3.39Å
191H98.3Very high97.6Very high38 Ų3851.1 Ų51.118%0.17627%0.271CS..Hα-helixtrans-65.1-39.8175.6-64.882000112.3G187 G188 R193 E194 L195 N237 F238G187-H191 PolarHBondContact O-CE1 3.15Å; G187-H191 PolarHBondContact O-ND1 2.92Å; G188-H191 WeakPolarHBondContact O-CB 3.48Å; G188-H191 PolarHBondContact O-N 2.97Å; G188-H191 VanDerWaalsContact O-N 3.15Å; H191-R193 VanDerWaalsContact C-N 3.34Å; H191-E194 PolarHBondContact O-N 2.89Å; H191-L195 PolarHBondContact O-N 3.03Å; H191-N237 PolarHBondContact NE2-O 2.8Å; H191-F238 HydrophobicContact CB-CE1 4.21Å; H191-F238 HydrophobicContact CB-CE2 3.87Å; H191-F238 HydrophobicContact CB-CZ 3.6Å; H191-F238 AromaticContact CD2-CD1 3.72Å; H191-F238 AromaticContact CD2-CE1 3.57Å; H191-F238 AromaticContact CD2-CZ 3.8Å; H191-F238 WeakPolarHBondContact O-CE2 3.08Å
192M98.4Very high97.6Very high37 Ų3747.1 Ų47.118%0.18226%0.257CS..Hα-helixtrans-62.9-41.4173.9-66.7173.867.300112M32 A184 G188 A189 L196 L291M32-M192 HydrophobicContact CE-SD 4.45Å; M32-M192 HydrophobicContact SD-SD 3.46Å; A184-M192 HydrophobicContact CB-CG 4.07Å; G188-M192 PolarHBondContact O-N 2.95Å; A189-M192 PolarHBondContact O-N 2.86Å; M192-L196 WeakPolarHBondContact O-CG 3.19Å; M192-L196 PolarHBondContact O-N 3.38Å; M192-L291 HydrophobicContact CB-CD2 4.36Å; M192-L291 HydrophobicContact CE-CB 4.31Å; M192-L291 HydrophobicContact CE-CD2 4.23Å
193R98.5Very high97.6Very high192 Ų19254.3 Ų54.373%0.72529%0.285SS*.Hα-helixtrans-63.3-47.1174.7-75.8-177.7138.2141.3-1.4111.4A189 R190 H191 L195 L196 T197A189-R193 PolarHBondContact O-N 3.4Å; A189-R193 VanDerWaalsContact O-N 3.15Å; R190-R193 WeakPolarHBondContact O-CB 3.33Å; R190-R193 PolarHBondContact O-N 3.17Å; H191-R193 VanDerWaalsContact C-N 3.34Å; R193-L195 VanDerWaalsContact C-N 3.33Å; R193-L195 PolarHBondContact O-N 3.47Å; R193-L196 PolarHBondContact O-N 3.37Å; R193-T197 PolarHBondContact O-N 3.38Å; R193-T197 PolarHBondContact O-OG1 3.34Å; R193-T197 VanDerWaalsContact O-OG1 3.08Å
194E98.8Very high97.6Very high9 Ų956.4 Ų56.44%0.04231%0.306CS..Hα-helixtrans-56.2-46.1177.2-177.4167.410800111.9R190 H191 L196 T197 Q198 P234 D236 N237 F238R190-E194 WeakPolarHBondContact O-CB 3.37Å; R190-E194 PolarHBondContact O-N 3.22Å; H191-E194 PolarHBondContact O-N 2.89Å; E194-L196 PolarHBondContact O-N 3.37Å; E194-T197 PolarHBondContact O-N 2.67Å; E194-Q198 HydrophobicContact CG-CG 4.44Å; E194-Q198 VanDerWaalsContact O-CG 3.32Å; E194-Q198 WeakPolarHBondContact O-CG 3.44Å; E194-Q198 PolarHBondContact O-N 3.36Å; E194-P234 VanDerWaalsContact CG-O 3.28Å; E194-P234 WeakPolarHBondContact CG-O 3.17Å; E194-D236 PolarHBondContact OE2-N 3.28Å; E194-D236 VanDerWaalsContact OE2-N 3.11Å; E194-N237 PolarHBondContact OE1-N 2.96Å; E194-N237 WeakPolarHBondContact OE2-CB 3.38Å; E194-N237 PolarHBondContact OE2-N 2.85Å; E194-N237 PolarHBondContact OE2-ND2 3.07Å; E194-F238 HydrophobicContact CG-CD2 4.39Å; E194-F238 WeakPolarHBondContact OE1-CB 3.31Å; E194-F238 VanDerWaalsContact OE1-CD2 3.25Å; E194-F238 WeakPolarHBondContact OE1-CD2 3.26Å; E194-F238 PolarHBondContact OE1-N 3.36Å
195L98.8Very high97.6Very high0 Ų060 Ų600%032%0.323CS..Hα-helixtrans-56.7-48175.7174.560.7000112.2A184 H191 R193 Q198 M199 L242 A243 L291A184-L195 HydrophobicContact CB-CB 4.33Å; A184-L195 HydrophobicContact CB-CD2 3.86Å; H191-L195 PolarHBondContact O-N 3.03Å; R193-L195 VanDerWaalsContact C-N 3.33Å; R193-L195 PolarHBondContact O-N 3.47Å; L195-Q198 PolarHBondContact O-N 3.41Å; L195-M199 HydrophobicContact CD1-CE 3.98Å; L195-M199 HydrophobicContact CD2-CE 4.43Å; L195-M199 HydrophobicContact CG-CE 4.14Å; L195-M199 WeakPolarHBondContact O-CG 3.36Å; L195-M199 PolarHBondContact O-N 2.84Å; L195-L242 HydrophobicContact CD1-CB 4.26Å; L195-L242 HydrophobicContact CD1-CD2 4.04Å; L195-L242 HydrophobicContact CD1-CG 4.01Å; L195-L242 HydrophobicContact CD2-CD2 4.38Å; L195-A243 HydrophobicContact CD1-CB 4.09Å; L195-L291 HydrophobicContact CD2-CD2 4.42Å
196L98.8Very high97.6Very high87 Ų8760.1 Ų60.146%0.45532%0.324SS..Hα-helixtrans-65.3-39.2179.3-69.6172.7000112M192 R193 E194 M199 G200 L291M192-L196 WeakPolarHBondContact O-CG 3.19Å; M192-L196 PolarHBondContact O-N 3.38Å; R193-L196 PolarHBondContact O-N 3.37Å; E194-L196 PolarHBondContact O-N 3.37Å; L196-M199 HydrophobicContact CD2-SD 4.41Å; L196-M199 PolarHBondContact O-N 2.8Å; L196-G200 PolarHBondContact O-N 2.95Å; L196-L291 HydrophobicContact CD1-CD2 4.12Å; L196-L291 HydrophobicContact CD2-CD1 4.37Å; L196-L291 HydrophobicContact CD2-CD2 4.04Å; L196-L291 HydrophobicContact CG-CD2 3.93Å
197T98.8Very high97.8Very high67 Ų6759.6 Ų59.641%0.41132%0.315SS..Hα-helixtrans-64.6-44.1175.5-57.70000111R193 E194 M199 G200 H201 P234R193-T197 PolarHBondContact O-N 3.38Å; R193-T197 PolarHBondContact O-OG1 3.34Å; R193-T197 VanDerWaalsContact O-OG1 3.08Å; E194-T197 PolarHBondContact O-N 2.67Å; T197-M199 VanDerWaalsContact C-N 3.35Å; T197-M199 PolarHBondContact O-N 3.44Å; T197-G200 PolarHBondContact O-N 3.2Å; T197-G200 VanDerWaalsContact O-N 3.13Å; T197-H201 PolarHBondContact O-CD2 2.98Å; T197-H201 PolarHBondContact O-N 3.43Å; T197-P234 HydrophobicContact CG2-CG 3.72Å
198Q98.9Very high98.1Very high0 Ų064.4 Ų64.40%033%0.333CS..Hα-helixtrans-58.4-45.5174.4-70.9175.48.800111.3E194 L195 G200 H201 L202 P234 A243E194-Q198 HydrophobicContact CG-CG 4.44Å; E194-Q198 VanDerWaalsContact O-CG 3.32Å; E194-Q198 WeakPolarHBondContact O-CG 3.44Å; E194-Q198 PolarHBondContact O-N 3.36Å; L195-Q198 PolarHBondContact O-N 3.41Å; Q198-G200 VanDerWaalsContact C-N 3.28Å; Q198-G200 PolarHBondContact O-N 3.02Å; Q198-H201 PolarHBondContact O-N 3.37Å; Q198-L202 WeakPolarHBondContact O-CG 3.46Å; Q198-L202 PolarHBondContact O-N 3.25Å; Q198-P234 HydrophobicContact CG-CG 4.15Å; Q198-P234 WeakPolarHBondContact CG-O 3.46Å; Q198-P234 PolarHBondContact NE2-O 2.79Å; Q198-A243 HydrophobicContact CB-CB 3.57Å
199M98.8Very high98.4Very high83 Ų8365.8 Ų65.841%0.40933%0.334SS..Hα-helixtrans-56.3-42.7174.9-71.8-179.6174.300112L195 L196 T197 L202 Y203 A243L195-M199 HydrophobicContact CD1-CE 3.98Å; L195-M199 HydrophobicContact CD2-CE 4.43Å; L195-M199 HydrophobicContact CG-CE 4.14Å; L195-M199 WeakPolarHBondContact O-CG 3.36Å; L195-M199 PolarHBondContact O-N 2.84Å; L196-M199 HydrophobicContact CD2-SD 4.41Å; L196-M199 PolarHBondContact O-N 2.8Å; T197-M199 VanDerWaalsContact C-N 3.35Å; T197-M199 PolarHBondContact O-N 3.44Å; M199-L202 PolarHBondContact O-N 2.98Å; M199-Y203 PolarHBondContact O-N 2.99Å; M199-Y203 VanDerWaalsContact O-N 3.08Å; M199-A243 HydrophobicContact CG-CB 3.85Å
200G98.7Very high98.5Very high40 Ų4067.6 Ų67.641%0.41234%0.336SS..Hα-helixtrans-62.3-42.8176.200000113.3L196 T197 Q198 G204L196-G200 PolarHBondContact O-N 2.95Å; T197-G200 PolarHBondContact O-N 3.2Å; T197-G200 VanDerWaalsContact O-N 3.13Å; Q198-G200 VanDerWaalsContact C-N 3.28Å; Q198-G200 PolarHBondContact O-N 3.02Å; G200-G204 PolarHBondContact O-N 3.45Å
201H98.7Very high98.6Very high80 Ų8062.4 Ų62.437%0.3733%0.334SS..Hα-helixtrans-62.1-47.5176.1-82.4-127.4000111.7T197 Q198 G204 H205 L227 L233T197-H201 PolarHBondContact O-CD2 2.98Å; T197-H201 PolarHBondContact O-N 3.43Å; Q198-H201 PolarHBondContact O-N 3.37Å; H201-G204 PolarHBondContact O-N 2.88Å; H201-H205 WeakPolarHBondContact O-CB 3.5Å; H201-H205 PolarHBondContact O-N 3.29Å; H201-H205 VanDerWaalsContact O-N 3.08Å; H201-L227 HydrophobicContact CB-CD2 4.48Å; H201-L233 HydrophobicContact CB-CD2 3.48Å; H201-L233 VanDerWaalsContact CB-CD2 3.48Å
202L98.7Very high98.6Very high20 Ų2063.5 Ų63.511%0.10534%0.344CS..Hα-helixtrans-62-48.2-178.7-64.7-173.5000111.8Q198 M199 V224 L227 L233 A243Q198-L202 WeakPolarHBondContact O-CG 3.46Å; Q198-L202 PolarHBondContact O-N 3.25Å; M199-L202 PolarHBondContact O-N 2.98Å; L202-V224 HydrophobicContact CD2-CG1 4.24Å; L202-L227 HydrophobicContact CD2-CD2 4.09Å; L202-L227 HydrophobicContact CD2-CG 4.39Å; L202-L233 HydrophobicContact CD2-CD1 4.03Å; L202-L233 HydrophobicContact CD2-CD2 4.13Å; L202-A243 HydrophobicContact CD1-CB 3.9Å
203Y98.7Very high98.6Very high151 Ų15168.2 Ų68.259%0.59238%0.377SS*.Hα-helixtrans-62.3-49.5175.9167.3-100.7000111.6M199 H205 V206 A207 L210M199-Y203 PolarHBondContact O-N 2.99Å; M199-Y203 VanDerWaalsContact O-N 3.08Å; Y203-H205 PolarHBondContact O-N 3.42Å; Y203-V206 CarbonylContact O-C 3.58Å; Y203-V206 PolarHBondContact O-N 3.22Å; Y203-V206 VanDerWaalsContact O-N 3.12Å; Y203-A207 HydrophobicContact CE1-CB 4.26Å; Y203-A207 PolarHBondContact O-N 3.15Å; Y203-L210 HydrophobicContact CD2-CD1 3.97Å; Y203-L210 HydrophobicContact CE2-CD1 4.16Å
204G98.6Very high98.6Very high44 Ų4464.1 Ų64.145%0.45438%0.378SS..Hα-helixtrans-58.9-33.5-176.100000113.3G200 H201 V206G200-G204 PolarHBondContact O-N 3.45Å; H201-G204 PolarHBondContact O-N 2.88Å; G204-V206 VanDerWaalsContact C-N 3.29Å; G204-V206 PolarHBondContact O-N 3.06Å
205H98.5Very high98.6Very high76 Ų7665.4 Ų65.435%0.35239%0.388SS..Hα-helixtrans-71.6-18.9-179.1-172.7-124000114.7H201 Y203 K223 L227H201-H205 WeakPolarHBondContact O-CB 3.5Å; H201-H205 PolarHBondContact O-N 3.29Å; H201-H205 VanDerWaalsContact O-N 3.08Å; Y203-H205 PolarHBondContact O-N 3.42Å; H205-K223 PolarHBondContact CE1-O 2.99Å; H205-K223 VanDerWaalsContact CE1-O 3.28Å; H205-K223 PolarHBondContact ND1-O 3.24Å; H205-K223 VanDerWaalsContact O-CE 3.28Å; H205-K223 WeakPolarHBondContact O-CE 3.39Å; H205-K223 PolarHBondContact O-NZ 2.89Å; H205-L227 HydrophobicContact CB-CD2 3.47Å; H205-L227 VanDerWaalsContact CB-CD2 3.47Å
206V98.6Very high98.6Very high5 Ų568 Ų683%0.0341%0.409CS..THydrogen-bonded Turntrans-127.115.3-179.8-62.30000113.1Y203 G204 D208 E209 L210 I220 K223 V224Y203-V206 CarbonylContact O-C 3.58Å; Y203-V206 PolarHBondContact O-N 3.22Å; Y203-V206 VanDerWaalsContact O-N 3.12Å; G204-V206 VanDerWaalsContact C-N 3.29Å; G204-V206 PolarHBondContact O-N 3.06Å; V206-D208 VanDerWaalsContact C-N 3.3Å; V206-D208 PolarHBondContact O-N 3.16Å; V206-E209 WeakPolarHBondContact CA-OE2 3.28Å; V206-E209 PolarHBondContact O-N 3.14Å; V206-L210 HydrophobicContact CG2-CD1 3.81Å; V206-L210 HydrophobicContact CG2-CG 4.12Å; V206-L210 WeakPolarHBondContact O-CB 3.27Å; V206-L210 VanDerWaalsContact O-CG 3.31Å; V206-L210 WeakPolarHBondContact O-CG 3.37Å; V206-L210 PolarHBondContact O-N 3.3Å; V206-I220 HydrophobicContact CB-CG2 4.08Å; V206-I220 HydrophobicContact CG1-CG2 4.2Å; V206-I220 HydrophobicContact CG2-CG2 4.05Å; V206-K223 HydrophobicContact CG1-CB 3.6Å; V206-K223 HydrophobicContact CG1-CD 4.18Å; V206-V224 HydrophobicContact CG1-CG2 3.89Å; V206-V224 HydrophobicContact CG2-CG2 3.99Å
207A98.7Very high98.6Very high24 Ų2469.4 Ų69.420%0.19842%0.416CS..Hα-helixtrans-59.7-39.8-175.400000112.3Y203 L210 A211Y203-A207 HydrophobicContact CE1-CB 4.26Å; Y203-A207 PolarHBondContact O-N 3.15Å; A207-L210 PolarHBondContact O-N 3.49Å; A207-A211 WeakPolarHBondContact O-CB 3.41Å; A207-A211 PolarHBondContact O-N 2.98Å
208D98.6Very high98.5Very high134 Ų13472.5 Ų72.572%0.71743%0.43SS*.Hα-helixtrans-66.9-43.6179.1-64.8-44.3000112.1V206 A211 T212V206-D208 VanDerWaalsContact C-N 3.3Å; V206-D208 PolarHBondContact O-N 3.16Å; D208-A211 PolarHBondContact O-N 2.87Å; D208-T212 PolarHBondContact O-N 3.36Å; D208-T212 PolarHBondContact O-OG1 3.42Å
209E98.5Very high98.5Very high49 Ų4976.1 Ų76.123%0.22945%0.449CS..Hα-helixtrans-65.8-40.8174.9-69.389.3171.600111.7V206 A211 T212 S215 I220 K223V206-E209 WeakPolarHBondContact CA-OE2 3.28Å; V206-E209 PolarHBondContact O-N 3.14Å; E209-A211 VanDerWaalsContact C-N 3.29Å; E209-A211 PolarHBondContact O-N 3.07Å; E209-T212 CarbonylContact O-C 3.52Å; E209-T212 WeakPolarHBondContact O-CB 3.4Å; E209-T212 PolarHBondContact O-N 3.35Å; E209-S215 VanDerWaalsContact O-CB 3.32Å; E209-S215 WeakPolarHBondContact O-CB 3.28Å; E209-S215 PolarHBondContact O-OG 2.92Å; E209-I220 HydrophobicContact CB-CD1 4.04Å; E209-I220 HydrophobicContact CB-CG1 3.6Å; E209-I220 HydrophobicContact CG-CG1 4.4Å; E209-K223 WeakPolarHBondContact OE1-CD 3.48Å; E209-K223 IonicContact OE1-NZ 3.75Å; E209-K223 PolarHBondContact OE1-NZ 3.09Å; E209-K223 IonicContact OE2-NZ 3.52Å; E209-K223 PolarHBondContact OE2-NZ 2.94Å
210L98.5Very high98.5Very high91 Ų9173 Ų7348%0.47643%0.433SS..Hα-helixtrans-64.1-33.5176.4-73.3174.6000112.7Y203 V206 A207 T212 I220Y203-L210 HydrophobicContact CD2-CD1 3.97Å; Y203-L210 HydrophobicContact CE2-CD1 4.16Å; V206-L210 HydrophobicContact CG2-CD1 3.81Å; V206-L210 HydrophobicContact CG2-CG 4.12Å; V206-L210 WeakPolarHBondContact O-CB 3.27Å; V206-L210 VanDerWaalsContact O-CG 3.31Å; V206-L210 WeakPolarHBondContact O-CG 3.37Å; V206-L210 PolarHBondContact O-N 3.3Å; A207-L210 PolarHBondContact O-N 3.49Å; L210-T212 PolarHBondContact O-N 3.18Å; L210-I220 HydrophobicContact CD2-CD1 4.15Å; L210-I220 HydrophobicContact CD2-CG2 4.42Å
211A98.5Very high98.5Very high83 Ų8375.6 Ų75.669%0.68644%0.435SS*.THydrogen-bonded Turntrans-71.8-12.2173.600000113.1A207 D208 E209A207-A211 WeakPolarHBondContact O-CB 3.41Å; A207-A211 PolarHBondContact O-N 2.98Å; D208-A211 PolarHBondContact O-N 2.87Å; E209-A211 VanDerWaalsContact C-N 3.29Å; E209-A211 PolarHBondContact O-N 3.07Å
212T98.6Very high98.5Very high62 Ų6278 Ų7838%0.3844%0.441SS..  trans-104.3103.8-179.2-57.30000110.1D208 E209 L210 S214 S215D208-T212 PolarHBondContact O-N 3.36Å; D208-T212 PolarHBondContact O-OG1 3.42Å; E209-T212 CarbonylContact O-C 3.52Å; E209-T212 WeakPolarHBondContact O-CB 3.4Å; E209-T212 PolarHBondContact O-N 3.35Å; L210-T212 PolarHBondContact O-N 3.18Å; T212-S214 WeakPolarHBondContact CG2-OG 3.45Å; T212-S214 PolarHBondContact O-N 2.9Å; T212-S215 WeakPolarHBondContact O-CB 3.29Å; T212-S215 PolarHBondContact O-N 2.86Å; T212-S215 PolarHBondContact O-OG 2.83Å
213P98.1Very high98.5Very high135 Ų13579 Ų7988%0.87744%0.444SS*.THydrogen-bonded Turntrans-64.3-19-174.326.3-35.4000114.1
214S98.3Very high98.5Very high107 Ų10773.6 Ų73.675%0.74843%0.427SS*.THydrogen-bonded Turntrans-92.81.2176.761.80000114.1T212T212-S214 WeakPolarHBondContact CG2-OG 3.45Å; T212-S214 PolarHBondContact O-N 2.9Å
215S98.1Very high98.5Very high36 Ų3673.3 Ų73.325%0.25242%0.417SS..SBendtrans-66.1149.1177.5660000110.9E209 T212 I217 I220E209-S215 VanDerWaalsContact O-CB 3.32Å; E209-S215 WeakPolarHBondContact O-CB 3.28Å; E209-S215 PolarHBondContact O-OG 2.92Å; T212-S215 WeakPolarHBondContact O-CB 3.29Å; T212-S215 PolarHBondContact O-N 2.86Å; T212-S215 PolarHBondContact O-OG 2.83Å; S215-I217 PolarHBondContact O-N 3.25Å; S215-I220 WeakPolarHBondContact OG-CD1 3.39Å
216A98.5Very high98.5Very high53 Ų5373.8 Ų73.844%0.43843%0.425SS..  trans-79.3123.9-179.600000110.6L218 D219 I220A216-L218 PolarHBondContact O-N 3.06Å; A216-D219 HydrophobicContact CB-CB 4.31Å; A216-D219 WeakPolarHBondContact O-CB 3.39Å; A216-D219 PolarHBondContact O-N 2.9Å; A216-I220 PolarHBondContact O-N 3.19Å
217I98.5Very high98.6Very high118 Ų11874 Ų7461%0.60543%0.426SS*.Hα-helixtrans-60.5-32.6-179.8-172.757.7000113.3S215 D219 I220 E221S215-I217 PolarHBondContact O-N 3.25Å; I217-D219 VanDerWaalsContact C-N 3.3Å; I217-D219 PolarHBondContact O-N 3.18Å; I217-I220 HydrophobicContact CD1-CB 4.39Å; I217-I220 HydrophobicContact CD1-CD1 4.34Å; I217-I220 PolarHBondContact O-N 2.88Å; I217-E221 WeakPolarHBondContact O-CB 3.35Å; I217-E221 PolarHBondContact O-N 3.48Å
218L98.6Very high98.6Very high132 Ų13274.6 Ų74.669%0.69143%0.427SS*.Hα-helixtrans-70-27176.4-64.3-177.7000112.5A216 R222A216-L218 PolarHBondContact O-N 3.06Å; L218-R222 WeakPolarHBondContact O-CB 3.37Å; L218-R222 PolarHBondContact O-N 3.12Å
219D98.6Very high98.6Very high75 Ų7578 Ų7840%0.40143%0.43SS..Hα-helixtrans-73-41172.3-80.8-48.3000111.5A216 I217 R222 K223A216-D219 HydrophobicContact CB-CB 4.31Å; A216-D219 WeakPolarHBondContact O-CB 3.39Å; A216-D219 PolarHBondContact O-N 2.9Å; I217-D219 VanDerWaalsContact C-N 3.3Å; I217-D219 PolarHBondContact O-N 3.18Å; D219-R222 PolarHBondContact O-N 3.29Å; D219-R222 IonicContact OD1-CZ 2.67Å; D219-R222 IonicContact OD1-NE 2.79Å; D219-R222 IonicContact OD1-NH2 3.6Å; D219-R222 PolarHBondContact OD1-NH2 2.83Å; D219-K223 WeakPolarHBondContact O-CG 3.43Å; D219-K223 PolarHBondContact O-N 3.09Å
220I98.7Very high98.5Very high17 Ų1778 Ų789%0.08744%0.435CS..Hα-helixtrans-58.5-53.2173.3-67.2165.4000110V206 E209 L210 S215 A216 I217 R222 K223 V224V206-I220 HydrophobicContact CB-CG2 4.08Å; V206-I220 HydrophobicContact CG1-CG2 4.2Å; V206-I220 HydrophobicContact CG2-CG2 4.05Å; E209-I220 HydrophobicContact CB-CD1 4.04Å; E209-I220 HydrophobicContact CB-CG1 3.6Å; E209-I220 HydrophobicContact CG-CG1 4.4Å; L210-I220 HydrophobicContact CD2-CD1 4.15Å; L210-I220 HydrophobicContact CD2-CG2 4.42Å; S215-I220 WeakPolarHBondContact OG-CD1 3.39Å; A216-I220 PolarHBondContact O-N 3.19Å; I217-I220 HydrophobicContact CD1-CB 4.39Å; I217-I220 HydrophobicContact CD1-CD1 4.34Å; I217-I220 PolarHBondContact O-N 2.88Å; I220-R222 PolarHBondContact O-N 3.39Å; I220-K223 PolarHBondContact O-N 2.94Å; I220-V224 WeakPolarHBondContact O-CG2 3.45Å; I220-V224 PolarHBondContact O-N 3.17Å
221E98.6Very high98.5Very high95 Ų9577.1 Ų77.144%0.44445%0.448SS..Hα-helixtrans-58.7-47.5-179.6-176.7-78.4133.100111.4I217 K223 V224 T225I217-E221 WeakPolarHBondContact O-CB 3.35Å; I217-E221 PolarHBondContact O-N 3.48Å; E221-K223 VanDerWaalsContact C-N 3.32Å; E221-K223 PolarHBondContact O-N 2.67Å; E221-V224 PolarHBondContact O-N 3.2Å; E221-V224 VanDerWaalsContact O-N 3.12Å; E221-T225 PolarHBondContact O-N 3.34Å; E221-T225 PolarHBondContact O-OG1 3.24Å; E221-T225 WeakPolarHBondContact OE1-CB 3.38Å; E221-T225 PolarHBondContact OE1-OG1 3.19Å
222R98.7Very high98.4Very high130 Ų13079.4 Ų79.449%0.49144%0.444SS..Hα-helixtrans-57.4-43.4177.1-178.7-178.257.771.42.8112L218 D219 I220 T225 T226L218-R222 WeakPolarHBondContact O-CB 3.37Å; L218-R222 PolarHBondContact O-N 3.12Å; D219-R222 PolarHBondContact O-N 3.29Å; D219-R222 IonicContact OD1-CZ 2.67Å; D219-R222 IonicContact OD1-NE 2.79Å; D219-R222 IonicContact OD1-NH2 3.6Å; D219-R222 PolarHBondContact OD1-NH2 2.83Å; I220-R222 PolarHBondContact O-N 3.39Å; R222-T225 PolarHBondContact O-N 3.09Å; R222-T226 WeakPolarHBondContact O-CB 3.29Å; R222-T226 PolarHBondContact O-N 2.81Å; R222-T226 PolarHBondContact O-OG1 3.4Å
223K98.7Very high98.4Very high42 Ų4276.8 Ų76.818%0.18343%0.428CS..Hα-helixtrans-62.5-43.4176.6-76.5-177.576.1-172.30111.6H205 V206 E209 D219 I220 E221 L227H205-K223 PolarHBondContact CE1-O 2.99Å; H205-K223 VanDerWaalsContact CE1-O 3.28Å; H205-K223 PolarHBondContact ND1-O 3.24Å; H205-K223 VanDerWaalsContact O-CE 3.28Å; H205-K223 WeakPolarHBondContact O-CE 3.39Å; H205-K223 PolarHBondContact O-NZ 2.89Å; V206-K223 HydrophobicContact CG1-CB 3.6Å; V206-K223 HydrophobicContact CG1-CD 4.18Å; E209-K223 WeakPolarHBondContact OE1-CD 3.48Å; E209-K223 IonicContact OE1-NZ 3.75Å; E209-K223 PolarHBondContact OE1-NZ 3.09Å; E209-K223 IonicContact OE2-NZ 3.52Å; E209-K223 PolarHBondContact OE2-NZ 2.94Å; D219-K223 WeakPolarHBondContact O-CG 3.43Å; D219-K223 PolarHBondContact O-N 3.09Å; I220-K223 PolarHBondContact O-N 2.94Å; E221-K223 VanDerWaalsContact C-N 3.32Å; E221-K223 PolarHBondContact O-N 2.67Å; K223-L227 WeakPolarHBondContact O-CB 3.24Å; K223-L227 PolarHBondContact O-N 3.29Å
224V98.8Very high98.4Very high37 Ų3772 Ų7222%0.22440%0.397CS..Hα-helixtrans-63.9-47.4177.2170.60000111.2L202 V206 I220 E221 L227 T228L202-V224 HydrophobicContact CD2-CG1 4.24Å; V206-V224 HydrophobicContact CG1-CG2 3.89Å; V206-V224 HydrophobicContact CG2-CG2 3.99Å; I220-V224 WeakPolarHBondContact O-CG2 3.45Å; I220-V224 PolarHBondContact O-N 3.17Å; E221-V224 PolarHBondContact O-N 3.2Å; E221-V224 VanDerWaalsContact O-N 3.12Å; V224-L227 PolarHBondContact O-N 2.93Å; V224-T228 WeakPolarHBondContact O-CB 3.39Å; V224-T228 PolarHBondContact O-N 2.77Å; V224-T228 PolarHBondContact O-OG1 3Å
225T98.8Very high98.5Very high39 Ų3968.8 Ų68.824%0.23937%0.373CS..Hα-helixtrans-65.3-40.6179.9-72.80000112.1E221 R222 T228 R229E221-T225 PolarHBondContact O-N 3.34Å; E221-T225 PolarHBondContact O-OG1 3.24Å; E221-T225 WeakPolarHBondContact OE1-CB 3.38Å; E221-T225 PolarHBondContact OE1-OG1 3.19Å; R222-T225 PolarHBondContact O-N 3.09Å; T225-T228 PolarHBondContact O-N 2.64Å; T225-R229 WeakPolarHBondContact O-CG 3.18Å; T225-R229 PolarHBondContact O-N 3.44Å
226T98.7Very high98.5Very high85 Ų8574.2 Ų74.252%0.52140%0.399SS..Hα-helixtrans-62.9-48.1175.1-66.60000111.4R222 T228 R229 S230R222-T226 WeakPolarHBondContact O-CB 3.29Å; R222-T226 PolarHBondContact O-N 2.81Å; R222-T226 PolarHBondContact O-OG1 3.4Å; T226-T228 VanDerWaalsContact C-N 3.3Å; T226-T228 PolarHBondContact O-N 3.06Å; T226-R229 CarbonylContact O-C 3.58Å; T226-R229 PolarHBondContact O-N 3.49Å; T226-R229 VanDerWaalsContact O-N 3.12Å; T226-S230 PolarHBondContact O-N 3.42Å
227L98.7Very high98.5Very high10 Ų1074.5 Ų74.55%0.05239%0.393CS..Hα-helixtrans-60.5-40.8176.9175.161.8000111.8H201 L202 H205 K223 V224 R229 S230 E232 L233H201-L227 HydrophobicContact CB-CD2 4.48Å; L202-L227 HydrophobicContact CD2-CD2 4.09Å; L202-L227 HydrophobicContact CD2-CG 4.39Å; H205-L227 HydrophobicContact CB-CD2 3.47Å; H205-L227 VanDerWaalsContact CB-CD2 3.47Å; K223-L227 WeakPolarHBondContact O-CB 3.24Å; K223-L227 PolarHBondContact O-N 3.29Å; V224-L227 PolarHBondContact O-N 2.93Å; L227-R229 PolarHBondContact O-N 2.9Å; L227-R229 VanDerWaalsContact O-N 3.14Å; L227-S230 PolarHBondContact O-N 3.46Å; L227-S230 PolarHBondContact O-OG 3.31Å; L227-E232 HydrophobicContact CD1-CB 3.97Å; L227-L233 HydrophobicContact CD1-CD2 4.49Å; L227-L233 HydrophobicContact CD2-CD2 4.34Å; L227-L233 HydrophobicContact CG-CD2 4.12Å; L227-L233 HydrophobicContact CG-CG 4.5Å
228T98.7Very high98.5Very high36 Ų3670.5 Ų70.522%0.22137%0.371CS..Hα-helixtrans-59-29.1178.7-57.80000112.3V224 T225 T226 L233 P241V224-T228 WeakPolarHBondContact O-CB 3.39Å; V224-T228 PolarHBondContact O-N 2.77Å; V224-T228 PolarHBondContact O-OG1 3Å; T225-T228 PolarHBondContact O-N 2.64Å; T226-T228 VanDerWaalsContact C-N 3.3Å; T226-T228 PolarHBondContact O-N 3.06Å; T228-L233 HydrophobicContact CG2-CD1 4.31Å; T228-P241 HydrophobicContact CG2-CB 3.84Å; T228-P241 HydrophobicContact CG2-CG 3.86Å; T228-P241 WeakPolarHBondContact O-CG 3.49Å
229R98.6Very high98.4Very high205 Ų20566.8 Ų66.877%0.77437%0.365SS*.Hα-helixtrans-102.7-3-177.9-64.8174.7-179.3163.82.8114.1T225 T226 L227 G231T225-R229 WeakPolarHBondContact O-CG 3.18Å; T225-R229 PolarHBondContact O-N 3.44Å; T226-R229 CarbonylContact O-C 3.58Å; T226-R229 PolarHBondContact O-N 3.49Å; T226-R229 VanDerWaalsContact O-N 3.12Å; L227-R229 PolarHBondContact O-N 2.9Å; L227-R229 VanDerWaalsContact O-N 3.14Å; R229-G231 VanDerWaalsContact C-N 3.3Å; R229-G231 PolarHBondContact O-N 2.82Å
230S97.8Very high98.5Very high50 Ų5066.6 Ų66.635%0.3537%0.367SS..SBendtrans-77.6-15.5-170.569.30000114.1T226 L227 E232T226-S230 PolarHBondContact O-N 3.42Å; L227-S230 PolarHBondContact O-N 3.46Å; L227-S230 PolarHBondContact O-OG 3.31Å; S230-E232 VanDerWaalsContact C-N 3.29Å; S230-E232 WeakPolarHBondContact CB-OE1 3.3Å; S230-E232 VanDerWaalsContact OG-CB 3.3Å; S230-E232 WeakPolarHBondContact OG-CB 3.49Å; S230-E232 VanDerWaalsContact OG-CG 3.25Å; S230-E232 WeakPolarHBondContact OG-CG 3.45Å; S230-E232 PolarHBondContact OG-N 3.4Å; S230-E232 PolarHBondContact OG-OE1 3.34Å
231G97.3Very high98.4Very high72 Ų7267.2 Ų67.274%0.74237%0.372SS*.SBendtrans82.93.9-17000000113.6R229R229-G231 VanDerWaalsContact C-N 3.3Å; R229-G231 PolarHBondContact O-N 2.82Å
232E98Very high98.5Very high131 Ų13162.7 Ų62.761%0.61235%0.351SS*.  trans-86.4-16.3178-63.9169.5-9400113.5L227 S230L227-E232 HydrophobicContact CD1-CB 3.97Å; S230-E232 VanDerWaalsContact C-N 3.29Å; S230-E232 WeakPolarHBondContact CB-OE1 3.3Å; S230-E232 VanDerWaalsContact OG-CB 3.3Å; S230-E232 WeakPolarHBondContact OG-CB 3.49Å; S230-E232 VanDerWaalsContact OG-CG 3.25Å; S230-E232 WeakPolarHBondContact OG-CG 3.45Å; S230-E232 PolarHBondContact OG-N 3.4Å; S230-E232 PolarHBondContact OG-OE1 3.34Å
233L98.3Very high98.5Very high8 Ų856.6 Ų56.64%0.04233%0.328CS..SBendtrans-72.2136.9173.6-69.8-170.6000110.5H201 L202 L227 T228 V235 P241H201-L233 HydrophobicContact CB-CD2 3.48Å; H201-L233 VanDerWaalsContact CB-CD2 3.48Å; L202-L233 HydrophobicContact CD2-CD1 4.03Å; L202-L233 HydrophobicContact CD2-CD2 4.13Å; L227-L233 HydrophobicContact CD1-CD2 4.49Å; L227-L233 HydrophobicContact CD2-CD2 4.34Å; L227-L233 HydrophobicContact CG-CD2 4.12Å; L227-L233 HydrophobicContact CG-CG 4.5Å; T228-L233 HydrophobicContact CG2-CD1 4.31Å; L233-V235 HydrophobicContact CB-CG1 4.38Å; L233-V235 PolarHBondContact O-N 3.11Å; L233-P241 HydrophobicContact CD1-CB 4.05Å; L233-P241 HydrophobicContact CD1-CG 4.17Å
234P98.3Very high98.4Very high34 Ų3458.8 Ų58.822%0.22136%0.362CS..  trans-67.8118.9172.928-32.4000109.4E194 T197 Q198E194-P234 VanDerWaalsContact CG-O 3.28Å; E194-P234 WeakPolarHBondContact CG-O 3.17Å; T197-P234 HydrophobicContact CG2-CG 3.72Å; Q198-P234 HydrophobicContact CG-CG 4.15Å; Q198-P234 WeakPolarHBondContact CG-O 3.46Å; Q198-P234 PolarHBondContact NE2-O 2.79Å
235V98.5Very high98.4Very high39 Ų3959.9 Ų59.924%0.23637%0.372CS..  trans-132.720.6-178.8-640000111.6L233 N237 G239 V240 P241L233-V235 HydrophobicContact CB-CG1 4.38Å; L233-V235 PolarHBondContact O-N 3.11Å; V235-N237 PolarHBondContact O-N 3.31Å; V235-G239 WeakPolarHBondContact O-CA 3.5Å; V235-G239 PolarHBondContact O-N 3.26Å; V235-V240 VanDerWaalsContact CG1-C 3.48Å; V235-P241 HydrophobicContact CG1-CG 4.15Å
236D98.6Very high98.4Very high151 Ų15162.6 Ų62.681%0.80739%0.385SS*.THydrogen-bonded Turntrans-60.2-30.7-173.7-62.4-14.1000112.6E194E194-D236 PolarHBondContact OE2-N 3.28Å; E194-D236 VanDerWaalsContact OE2-N 3.11Å
237N98.3Very high98.4Very high59 Ų5959.8 Ų59.832%0.31637%0.366SS..THydrogen-bonded Turntrans-95.1-47.2-177.8-57.1-88.8000111.9R190 H191 E194 V235R190-N237 WeakPolarHBondContact CB-OD1 3.39Å; H191-N237 PolarHBondContact NE2-O 2.8Å; E194-N237 PolarHBondContact OE1-N 2.96Å; E194-N237 WeakPolarHBondContact OE2-CB 3.38Å; E194-N237 PolarHBondContact OE2-N 2.85Å; E194-N237 PolarHBondContact OE2-ND2 3.07Å; V235-N237 PolarHBondContact O-N 3.31Å
238F98.4Very high98.4Very high33 Ų3363.3 Ų63.315%0.14539%0.39CS..THydrogen-bonded Turntrans-82.6-17.5-179.7-75.9-63.6000114.6A184 H191 E194 V240 L242 I247 R287A184-F238 HydrophobicContact CB-CE2 4.48Å; A184-F238 HydrophobicContact CB-CZ 3.92Å; H191-F238 HydrophobicContact CB-CE1 4.21Å; H191-F238 HydrophobicContact CB-CE2 3.87Å; H191-F238 HydrophobicContact CB-CZ 3.6Å; H191-F238 AromaticContact CD2-CD1 3.72Å; H191-F238 AromaticContact CD2-CE1 3.57Å; H191-F238 AromaticContact CD2-CZ 3.8Å; H191-F238 WeakPolarHBondContact O-CE2 3.08Å; E194-F238 HydrophobicContact CG-CD2 4.39Å; E194-F238 WeakPolarHBondContact OE1-CB 3.31Å; E194-F238 VanDerWaalsContact OE1-CD2 3.25Å; E194-F238 WeakPolarHBondContact OE1-CD2 3.26Å; E194-F238 PolarHBondContact OE1-N 3.36Å; F238-V240 WeakPolarHBondContact CB-O 3.43Å; F238-V240 PolarHBondContact O-N 2.61Å; F238-V240 VanDerWaalsContact O-N 3.09Å; F238-L242 HydrophobicContact CD2-CB 4.12Å; F238-L242 HydrophobicContact CD2-CD2 4.1Å; F238-L242 HydrophobicContact CE1-CD2 3.95Å; F238-L242 HydrophobicContact CE2-CB 4.25Å; F238-L242 HydrophobicContact CE2-CD2 3.44Å; F238-L242 VanDerWaalsContact CE2-CD2 3.44Å; F238-L242 HydrophobicContact CE2-CG 4.48Å; F238-L242 HydrophobicContact CZ-CD2 3.34Å; F238-I247 HydrophobicContact CB-CD1 3.97Å; F238-I247 HydrophobicContact CD1-CD1 3.91Å; F238-I247 HydrophobicContact CG-CD1 4.15Å; F238-R287 HydrophobicContact CE1-CG 3.9Å; F238-R287 HydrophobicContact CZ-CG 4.46Å
239G98.4Very high98.4Very high55 Ų5567 Ų6757%0.56740%0.4SS*.SBendtrans75.3-22.4-172.200000114.6V235V235-G239 WeakPolarHBondContact O-CA 3.5Å; V235-G239 PolarHBondContact O-N 3.26Å
240V98.7Very high98.4Very high71 Ų7157.7 Ų57.743%0.4337%0.365SS..SBendtrans-144163.4178.4-64.30000111.2V235 F238 I247V235-V240 VanDerWaalsContact CG1-C 3.48Å; F238-V240 WeakPolarHBondContact CB-O 3.43Å; F238-V240 PolarHBondContact O-N 2.61Å; F238-V240 VanDerWaalsContact O-N 3.09Å; V240-I247 HydrophobicContact CG2-CD1 3.63Å; V240-I247 HydrophobicContact CG2-CG1 3.76Å; V240-I247 HydrophobicContact CG2-CG2 4.46Å
241P98.7Very high98.4Very high29 Ų2958 Ų5819%0.18836%0.362CS..  trans-61.5138.9177.8-24.535000113.5T228 L233 V235 S245T228-P241 HydrophobicContact CG2-CB 3.84Å; T228-P241 HydrophobicContact CG2-CG 3.86Å; T228-P241 WeakPolarHBondContact O-CG 3.49Å; L233-P241 HydrophobicContact CD1-CB 4.05Å; L233-P241 HydrophobicContact CD1-CG 4.17Å; V235-P241 HydrophobicContact CG1-CG 4.15Å; P241-S245 WeakPolarHBondContact O-CB 3.33Å
242L98.8Very high98.4Very high0 Ų059.8 Ų59.80%035%0.35CS..  trans-113-39.9174-175.663.3000112.6A184 L195 F238 G244 S245 I247 R287A184-L242 HydrophobicContact CB-CD2 4.46Å; L195-L242 HydrophobicContact CD1-CB 4.26Å; L195-L242 HydrophobicContact CD1-CD2 4.04Å; L195-L242 HydrophobicContact CD1-CG 4.01Å; L195-L242 HydrophobicContact CD2-CD2 4.38Å; F238-L242 HydrophobicContact CD2-CB 4.12Å; F238-L242 HydrophobicContact CD2-CD2 4.1Å; F238-L242 HydrophobicContact CE1-CD2 3.95Å; F238-L242 HydrophobicContact CE2-CB 4.25Å; F238-L242 HydrophobicContact CE2-CD2 3.44Å; F238-L242 VanDerWaalsContact CE2-CD2 3.44Å; F238-L242 HydrophobicContact CE2-CG 4.48Å; F238-L242 HydrophobicContact CZ-CD2 3.34Å; L242-G244 PolarHBondContact O-N 3.12Å; L242-S245 CarbonylContact O-C 3.58Å; L242-S245 PolarHBondContact O-N 3.09Å; L242-S245 VanDerWaalsContact O-O 3.12Å; L242-I247 HydrophobicContact CD1-CD1 4.28Å; L242-I247 HydrophobicContact CD1-CG1 4.21Å; L242-R287 HydrophobicContact CD1-CB 4.34Å; L242-R287 HydrophobicContact CD1-CG 3.92Å; L242-R287 HydrophobicContact CD2-CG 3.97Å
243A98.7Very high98.4Very high2 Ų260.3 Ų60.32%0.01735%0.353CS..THydrogen-bonded Turntrans-62.5127.9176.100000110.3L195 Q198 M199 L202 S245L195-A243 HydrophobicContact CD1-CB 4.09Å; Q198-A243 HydrophobicContact CB-CB 3.57Å; M199-A243 HydrophobicContact CG-CB 3.85Å; L202-A243 HydrophobicContact CD1-CB 3.9Å; A243-S245 PolarHBondContact O-N 2.89Å
244G98Very high98.4Very high88 Ų8861.7 Ų61.791%0.90736%0.36SS*.THydrogen-bonded Turntrans69.88.9-174.400000114.8L242L242-G244 PolarHBondContact O-N 3.12Å
245S98.7Very high98.4Very high61 Ų6168.7 Ų68.743%0.42740%0.395SS..  trans-138-171-175.4-167.30000111.2P241 L242 A243P241-S245 WeakPolarHBondContact O-CB 3.33Å; L242-S245 CarbonylContact O-C 3.58Å; L242-S245 PolarHBondContact O-N 3.09Å; L242-S245 VanDerWaalsContact O-O 3.12Å; A243-S245 PolarHBondContact O-N 2.89Å
246L98.9Very high98.4Very high96 Ų9671.9 Ų71.950%0.50341%0.411SS..EExtended strand (participates in β ladder)trans-149.4158.2170.957.780.6000110.3V286 R287 V288L246-V286 HydrophobicContact CB-CG1 3.87Å; L246-V286 HydrophobicContact CD1-CG1 3.92Å; L246-V286 HydrophobicContact CD2-CG1 4.44Å; L246-V286 HydrophobicContact CG-CG1 4.29Å; L246-R287 VanDerWaalsContact CA-O 3.31Å; L246-R287 WeakPolarHBondContact CA-O 3.45Å; L246-R287 WeakPolarHBondContact CB-O 3.34Å; L246-V288 HydrophobicContact CB-CG1 4.31Å
247I98.8Very high98.4Very high26 Ų2667 Ų6713%0.13340%0.397CS..EExtended strand (participates in β ladder)trans-123.3109.1178-50.1171.5000108.4F238 V240 L242 W249 V286 R287F238-I247 HydrophobicContact CB-CD1 3.97Å; F238-I247 HydrophobicContact CD1-CD1 3.91Å; F238-I247 HydrophobicContact CG-CD1 4.15Å; V240-I247 HydrophobicContact CG2-CD1 3.63Å; V240-I247 HydrophobicContact CG2-CG1 3.76Å; V240-I247 HydrophobicContact CG2-CG2 4.46Å; L242-I247 HydrophobicContact CD1-CD1 4.28Å; L242-I247 HydrophobicContact CD1-CG1 4.21Å; I247-W249 PolarHBondContact O-N 3.22Å; I247-W249 VanDerWaalsContact O-N 3.08Å; I247-V286 WeakPolarHBondContact O-CA 3.46Å; I247-R287 HydrophobicContact CB-CB 4.14Å; I247-R287 PolarHBondContact N-O 3.45Å; I247-R287 PolarHBondContact O-N 2.75Å
248P98.8Very high98.4Very high84 Ų8465.5 Ų65.555%0.54539%0.387SS..SBendtrans-86.237.1-174.137.7-37.6000112.7V286P248-V286 HydrophobicContact CB-CG2 4.34Å
249W98.7Very high98.5Very high113 Ų11363.9 Ų63.943%0.42838%0.381SS..  trans-153.9125.7176.1-158.6-64.5000109I247 D251 Q253I247-W249 PolarHBondContact O-N 3.22Å; I247-W249 VanDerWaalsContact O-N 3.08Å; W249-D251 PolarHBondContact NE1-O 2.91Å; W249-Q253 HydrophobicContact CH2-CB 4.3Å; W249-Q253 HydrophobicContact CH2-CG 3.94Å; W249-Q253 HydrophobicContact CZ2-CB 3.48Å; W249-Q253 VanDerWaalsContact CZ2-CB 3.48Å; W249-Q253 HydrophobicContact CZ2-CG 3.58Å
250I98.6Very high98.5Very high9 Ų965.1 Ų65.15%0.04637%0.368CS..  trans-128.7127.7177.4-64.1174.3000108.9Q182 S259 E261 C285 R287Q182-I250 HydrophobicContact CB-CD1 3.92Å; Q182-I250 HydrophobicContact CG-CD1 4.04Å; I250-S259 WeakPolarHBondContact O-CB 3.28Å; I250-S259 PolarHBondContact O-OG 2.77Å; I250-E261 HydrophobicContact CB-CB 3.88Å; I250-E261 HydrophobicContact CB-CG 4.06Å; I250-E261 HydrophobicContact CG2-CB 3.75Å; I250-E261 HydrophobicContact CG2-CG 3.68Å; I250-E261 VanDerWaalsContact O-CB 3.26Å; I250-E261 WeakPolarHBondContact O-CB 3.48Å; I250-C285 HydrophobicContact CB-CB 4.34Å; I250-C285 HydrophobicContact CD1-CB 4.23Å; I250-C285 WeakPolarHBondContact CG1-O 3.34Å; I250-R287 HydrophobicContact CD1-CB 4.05Å; I250-R287 HydrophobicContact CG1-CB 4.21Å
251D97.4Very high98.5Very high56 Ų5662.3 Ų62.330%0.29935%0.35SS..SBendtrans72.1178.9179.7-149.7-22.3000113W249 R260 E261 K264W249-D251 PolarHBondContact NE1-O 2.91Å; D251-R260 HydrophobicContact CB-CB 4.1Å; D251-R260 VanDerWaalsContact CG-NH2 3.29Å; D251-R260 IonicContact OD1-CZ 2.75Å; D251-R260 IonicContact OD1-NE 3.69Å; D251-R260 PolarHBondContact OD1-NE 3.17Å; D251-R260 IonicContact OD1-NH2 2.89Å; D251-R260 PolarHBondContact OD1-NH2 2.91Å; D251-R260 IonicContact OD2-CZ 3.58Å; D251-R260 VanDerWaalsContact OD2-CZ 3.32Å; D251-R260 IonicContact OD2-NE 3.75Å; D251-R260 PolarHBondContact OD2-NE 3.26Å; D251-R260 IonicContact OD2-NH2 3.27Å; D251-R260 PolarHBondContact OD2-NH2 3.22Å; D251-R260 VanDerWaalsContact OD2-NH2 3.11Å; D251-E261 HydrophobicContact CB-CB 4.22Å; D251-K264 IonicContact OD2-NZ 2.63Å; D251-K264 PolarHBondContact OD2-NZ 3.27Å
252K97.2Very high98.5Very high111 Ų11161.8 Ų61.848%0.48335%0.345SS..  trans-61.1148.9-171.669.8-175.2-163.8-162.40113.2L254 S259 R260K252-L254 HydrophobicContact CD-CD2 4.44Å; K252-L254 HydrophobicContact CG-CD2 4.18Å; K252-S259 CarbonylContact O-C 3.44Å; K252-S259 WeakPolarHBondContact O-CA 3.45Å; K252-R260 HydrophobicContact CD-CB 4.37Å; K252-R260 HydrophobicContact CG-CB 3.58Å; K252-R260 HydrophobicContact CG-CG 4.41Å; K252-R260 PolarHBondContact O-N 3.11Å
253Q98.5Very high98.5Very high142 Ų14267 Ų6766%0.66437%0.365SS*.BIsolated β-bridgetrans-70.4141.5169.3178.8170.1-0.900111.5W249W249-Q253 HydrophobicContact CH2-CB 4.3Å; W249-Q253 HydrophobicContact CH2-CG 3.94Å; W249-Q253 HydrophobicContact CZ2-CB 3.48Å; W249-Q253 VanDerWaalsContact CZ2-CB 3.48Å; W249-Q253 HydrophobicContact CZ2-CG 3.58Å
254L98.3Very high98.5Very high37 Ų3767.5 Ų67.519%0.19437%0.367CS..  trans-113162.1172.1-53.6-177.3000110.9K252 N256 G257 Q258 R260 W263K252-L254 HydrophobicContact CD-CD2 4.44Å; K252-L254 HydrophobicContact CG-CD2 4.18Å; L254-N256 PolarHBondContact O-N 3.28Å; L254-G257 PolarHBondContact O-N 2.94Å; L254-G257 VanDerWaalsContact O-N 3.15Å; L254-Q258 WeakPolarHBondContact CB-O 3.35Å; L254-Q258 PolarHBondContact N-O 2.77Å; L254-R260 HydrophobicContact CD2-CB 4.36Å; L254-W263 HydrophobicContact CD1-CB 3.48Å; L254-W263 VanDerWaalsContact CD1-CB 3.48Å; L254-W263 HydrophobicContact CD1-CD2 4.48Å; L254-W263 HydrophobicContact CD1-CG 3.68Å
255D98.3Very high98.5Very high180 Ų18063.8 Ų63.896%0.96333%0.329SS*.THydrogen-bonded Turntrans-64.8-25.7-173.3-59.3-36.7000113.8G257D255-G257 VanDerWaalsContact C-N 3.27Å; D255-G257 PolarHBondContact O-N 3.25Å
256N98.3Very high98.5Very high107 Ų10764.7 Ų64.757%0.57233%0.326SS*.THydrogen-bonded Turntrans-84.24179.770.1-19.3000113.8L254 Q258L254-N256 PolarHBondContact O-N 3.28Å; N256-Q258 VanDerWaalsContact C-N 3.34Å; N256-Q258 PolarHBondContact ND2-OE1 3.38Å; N256-Q258 WeakPolarHBondContact OD1-CB 3.28Å; N256-Q258 PolarHBondContact OD1-N 2.85Å
257G98.4Very high98.5Very high49 Ų4961 Ų6151%0.50531%0.31SS..SBendtrans87.7-7.1-17900000115L254 D255L254-G257 PolarHBondContact O-N 2.94Å; L254-G257 VanDerWaalsContact O-N 3.15Å; D255-G257 VanDerWaalsContact C-N 3.27Å; D255-G257 PolarHBondContact O-N 3.25Å
258Q98.8Very high98.5Very high26 Ų2660 Ų6012%0.12131%0.305CS..  trans-75.1153.7169-69.2179.2-50.400110.8L254 N256 E262 D282L254-Q258 WeakPolarHBondContact CB-O 3.35Å; L254-Q258 PolarHBondContact N-O 2.77Å; N256-Q258 VanDerWaalsContact C-N 3.34Å; N256-Q258 PolarHBondContact ND2-OE1 3.38Å; N256-Q258 WeakPolarHBondContact OD1-CB 3.28Å; N256-Q258 PolarHBondContact OD1-N 2.85Å; Q258-E262 HydrophobicContact CB-CB 4.31Å; Q258-E262 HydrophobicContact CG-CB 4.45Å; Q258-D282 PolarHBondContact NE2-OD1 3.21Å; Q258-D282 PolarHBondContact NE2-OD2 3.3Å
259S98.7Very high98.5Very high0 Ų056 Ų560%028%0.279CS..BIsolated β-bridgetrans-78.315715670.20000110.8I250 K252 E261 E262 W263I250-S259 WeakPolarHBondContact O-CB 3.28Å; I250-S259 PolarHBondContact O-OG 2.77Å; K252-S259 CarbonylContact O-C 3.44Å; K252-S259 WeakPolarHBondContact O-CA 3.45Å; S259-E261 PolarHBondContact O-N 3.23Å; S259-E262 WeakPolarHBondContact CB-OE2 3.27Å; S259-E262 PolarHBondContact N-OE2 3.49Å; S259-E262 PolarHBondContact O-N 2.68Å; S259-E262 VanDerWaalsContact O-N 3.17Å; S259-E262 WeakPolarHBondContact OG-CG 3.17Å; S259-E262 PolarHBondContact OG-N 3.29Å; S259-E262 PolarHBondContact OG-OE2 3.33Å; S259-W263 PolarHBondContact O-N 3.43Å; S259-W263 VanDerWaalsContact O-N 3.09Å
260R98.5Very high98.5Very high81 Ų8151.4 Ų51.431%0.30626%0.263SS..Hα-helixtrans-60.7-28.7176.4178.1176.460.1-179.2-1.2111.8D251 K252 L254 K264D251-R260 HydrophobicContact CB-CB 4.1Å; D251-R260 VanDerWaalsContact CG-NH2 3.29Å; D251-R260 IonicContact OD1-CZ 2.75Å; D251-R260 IonicContact OD1-NE 3.69Å; D251-R260 PolarHBondContact OD1-NE 3.17Å; D251-R260 IonicContact OD1-NH2 2.89Å; D251-R260 PolarHBondContact OD1-NH2 2.91Å; D251-R260 IonicContact OD2-CZ 3.58Å; D251-R260 VanDerWaalsContact OD2-CZ 3.32Å; D251-R260 IonicContact OD2-NE 3.75Å; D251-R260 PolarHBondContact OD2-NE 3.26Å; D251-R260 IonicContact OD2-NH2 3.27Å; D251-R260 PolarHBondContact OD2-NH2 3.22Å; D251-R260 VanDerWaalsContact OD2-NH2 3.11Å; K252-R260 HydrophobicContact CD-CB 4.37Å; K252-R260 HydrophobicContact CG-CB 3.58Å; K252-R260 HydrophobicContact CG-CG 4.41Å; K252-R260 PolarHBondContact O-N 3.11Å; L254-R260 HydrophobicContact CD2-CB 4.36Å; R260-K264 VanDerWaalsContact O-CG 3.29Å; R260-K264 WeakPolarHBondContact O-CG 3.4Å; R260-K264 PolarHBondContact O-N 3.19Å
261E98.7Very high98.5Very high11 Ų1153.5 Ų53.55%0.05127%0.271CS..Hα-helixtrans-67.5-37.1177.5-163.668.6-179.900112.5N154 I250 D251 S259 K264 C285N154-E261 PolarHBondContact ND2-OE1 3.21Å; I250-E261 HydrophobicContact CB-CB 3.88Å; I250-E261 HydrophobicContact CB-CG 4.06Å; I250-E261 HydrophobicContact CG2-CB 3.75Å; I250-E261 HydrophobicContact CG2-CG 3.68Å; I250-E261 VanDerWaalsContact O-CB 3.26Å; I250-E261 WeakPolarHBondContact O-CB 3.48Å; D251-E261 HydrophobicContact CB-CB 4.22Å; S259-E261 PolarHBondContact O-N 3.23Å; E261-K264 IonicContact OE2-NZ 2.91Å; E261-K264 PolarHBondContact OE2-NZ 2.95Å; E261-C285 HydrophobicContact CB-CB 4.07Å; E261-C285 HydrophobicContact CG-CB 3.98Å
262E98.9Very high98.6Very high19 Ų1950.8 Ų50.89%0.08926%0.257CS..Hα-helixtrans-70.5-44.9175.4-69.7149.1178.100111Q258 S259 K264 G265 G283 L284 C285Q258-E262 HydrophobicContact CB-CB 4.31Å; Q258-E262 HydrophobicContact CG-CB 4.45Å; S259-E262 WeakPolarHBondContact CB-OE2 3.27Å; S259-E262 PolarHBondContact N-OE2 3.49Å; S259-E262 PolarHBondContact O-N 2.68Å; S259-E262 VanDerWaalsContact O-N 3.17Å; S259-E262 WeakPolarHBondContact OG-CG 3.17Å; S259-E262 PolarHBondContact OG-N 3.29Å; S259-E262 PolarHBondContact OG-OE2 3.33Å; E262-K264 VanDerWaalsContact C-N 3.27Å; E262-K264 PolarHBondContact O-N 3.36Å; E262-G265 WeakPolarHBondContact O-CA 3.29Å; E262-G265 PolarHBondContact O-N 2.88Å; E262-G283 WeakPolarHBondContact CG-O 3.36Å; E262-L284 WeakPolarHBondContact OE1-CA 3.46Å; E262-C285 HydrophobicContact CG-CB 3.8Å; E262-C285 PolarHBondContact OE1-N 3.33Å
263W98.8Very high98.7Very high108 Ų10847.4 Ų47.441%0.40924%0.244SC..Hα-helixtrans-57.2-37.6178.5175.887.2000113.4M123 L254 S259 G265 A267M123-W263 HydrophobicContact CG-CH2 4.19Å; L254-W263 HydrophobicContact CD1-CB 3.48Å; L254-W263 VanDerWaalsContact CD1-CB 3.48Å; L254-W263 HydrophobicContact CD1-CD2 4.48Å; L254-W263 HydrophobicContact CD1-CG 3.68Å; S259-W263 PolarHBondContact O-N 3.43Å; S259-W263 VanDerWaalsContact O-N 3.09Å; W263-G265 PolarHBondContact O-N 2.78Å; W263-A267 HydrophobicContact CD2-CB 4.21Å; W263-A267 HydrophobicContact CE3-CB 4.12Å; W263-A267 HydrophobicContact CH2-CB 3.7Å; W263-A267 HydrophobicContact CZ2-CB 3.79Å; W263-A267 HydrophobicContact CZ3-CB 3.86Å; W263-A267 PolarHBondContact O-N 2.9Å
264K98.8Very high98.7Very high13 Ų1346.3 Ų46.36%0.05724%0.242CC..Hα-helixtrans-58.4-28175.9-72.3170.6-162.6154.50112.1N154 D251 R260 E261 E262 A267 E268N154-K264 HydrophobicContact CB-CB 4.33Å; N154-K264 HydrophobicContact CB-CD 3.95Å; N154-K264 VanDerWaalsContact CG-CD 3.44Å; N154-K264 VanDerWaalsContact OD1-CD 3.28Å; N154-K264 WeakPolarHBondContact OD1-CD 3.14Å; N154-K264 PolarHBondContact OD1-NZ 2.85Å; D251-K264 IonicContact OD2-NZ 2.63Å; D251-K264 PolarHBondContact OD2-NZ 3.27Å; R260-K264 VanDerWaalsContact O-CG 3.29Å; R260-K264 WeakPolarHBondContact O-CG 3.4Å; R260-K264 PolarHBondContact O-N 3.19Å; E261-K264 IonicContact OE2-NZ 2.91Å; E261-K264 PolarHBondContact OE2-NZ 2.95Å; E262-K264 VanDerWaalsContact C-N 3.27Å; E262-K264 PolarHBondContact O-N 3.36Å; K264-A267 PolarHBondContact O-N 3.08Å; K264-E268 HydrophobicContact CB-CG 4.33Å; K264-E268 WeakPolarHBondContact CG-OE1 3.48Å; K264-E268 WeakPolarHBondContact O-CB 3.44Å; K264-E268 PolarHBondContact O-N 3.5Å
265G98.8Very high98.6Very high11 Ų1146.5 Ų46.511%0.11325%0.245CC..Hα-helixtrans-51.2-62.2178.800000112.3E262 W263 T269E262-G265 WeakPolarHBondContact O-CA 3.29Å; E262-G265 PolarHBondContact O-N 2.88Å; W263-G265 PolarHBondContact O-N 2.78Å; G265-T269 WeakPolarHBondContact O-CB 3.17Å; G265-T269 PolarHBondContact O-N 2.97Å; G265-T269 PolarHBondContact O-OG1 3.26Å
266Q98.9Very high98.5Very high79 Ų7944.2 Ų44.237%0.36924%0.244SC..Hα-helixtrans-69-46.3177.3-167.3170.7-77.900112.4E268 N270 V278 V281Q266-E268 PolarHBondContact O-N 3.47Å; Q266-N270 WeakPolarHBondContact CG-ND2 3.28Å; Q266-N270 PolarHBondContact O-N 3.14Å; Q266-N270 PolarHBondContact O-ND2 2.81Å; Q266-V278 HydrophobicContact CG-CG1 4.05Å; Q266-V281 HydrophobicContact CB-CB 4.37Å; Q266-V281 WeakPolarHBondContact CB-O 3.27Å; Q266-V281 PolarHBondContact N-O 3.49Å
267A98.7Very high98.5Very high20 Ų2042.6 Ų42.617%0.16524%0.24CC..Hα-helixtrans-61.1-48.6-171.400000112M123 W263 K264 K271M123-A267 HydrophobicContact CE-CB 4.11Å; W263-A267 HydrophobicContact CD2-CB 4.21Å; W263-A267 HydrophobicContact CE3-CB 4.12Å; W263-A267 HydrophobicContact CH2-CB 3.7Å; W263-A267 HydrophobicContact CZ2-CB 3.79Å; W263-A267 HydrophobicContact CZ3-CB 3.86Å; W263-A267 PolarHBondContact O-N 2.9Å; K264-A267 PolarHBondContact O-N 3.08Å; A267-K271 PolarHBondContact O-N 2.88Å
268E98.8Very high98.5Very high4 Ų444.8 Ų44.82%0.01924%0.244CC..Hα-helixtrans-82.2-33.1-176.1-57.6-171.7-15600112.2R122 M123 I129 G153 N154 V157 K264 Q266 N270 K271 I272R122-E268 WeakPolarHBondContact CD-OE1 3.24Å; R122-E268 VanDerWaalsContact CD-OE2 3.31Å; R122-E268 WeakPolarHBondContact CD-OE2 3.37Å; R122-E268 IonicContact CZ-OE1 2.75Å; R122-E268 IonicContact CZ-OE2 2.93Å; R122-E268 IonicContact NE-OE1 2.71Å; R122-E268 IonicContact NE-OE2 3.18Å; R122-E268 IonicContact NH1-OE1 2.97Å; R122-E268 PolarHBondContact NH1-OE1 2.8Å; R122-E268 IonicContact NH1-OE2 3.32Å; M123-E268 HydrophobicContact SD-CG 4.19Å; I129-E268 HydrophobicContact CD1-CB 3.92Å; I129-E268 HydrophobicContact CD1-CG 3.95Å; G153-E268 WeakPolarHBondContact CA-OE2 3.47Å; N154-E268 WeakPolarHBondContact CB-OE2 3.23Å; N154-E268 PolarHBondContact N-OE2 3.37Å; V157-E268 HydrophobicContact CG1-CB 4.23Å; V157-E268 HydrophobicContact CG2-CB 4.25Å; K264-E268 HydrophobicContact CB-CG 4.33Å; K264-E268 WeakPolarHBondContact CG-OE1 3.48Å; K264-E268 WeakPolarHBondContact O-CB 3.44Å; K264-E268 PolarHBondContact O-N 3.5Å; Q266-E268 PolarHBondContact O-N 3.47Å; E268-N270 PolarHBondContact O-N 2.97Å; E268-K271 PolarHBondContact O-N 2.82Å; E268-I272 WeakPolarHBondContact O-CB 3.21Å; E268-I272 VanDerWaalsContact O-CG1 3.28Å; E268-I272 WeakPolarHBondContact O-CG1 3.39Å; E268-I272 PolarHBondContact O-N 3.09Å
269T98.9Very high98.5Very high0 Ų044.2 Ų44.20%024%0.242CC..Hα-helixtrans-57.9-51.5175.9-64.70000111.2M160 L161 F168 G265 K271 I272 L273 V281M160-T269 HydrophobicContact CE-CG2 4.09Å; M160-T269 VanDerWaalsContact CE-OG1 3.28Å; M160-T269 WeakPolarHBondContact CE-OG1 3.43Å; L161-T269 HydrophobicContact CD2-CG2 4.17Å; F168-T269 HydrophobicContact CE1-CG2 4.13Å; G265-T269 WeakPolarHBondContact O-CB 3.17Å; G265-T269 PolarHBondContact O-N 2.97Å; G265-T269 PolarHBondContact O-OG1 3.26Å; T269-K271 VanDerWaalsContact C-N 3.3Å; T269-K271 PolarHBondContact O-N 3.44Å; T269-I272 PolarHBondContact O-N 2.92Å; T269-L273 HydrophobicContact CG2-CD1 3.8Å; T269-L273 WeakPolarHBondContact O-CB 3.47Å; T269-L273 WeakPolarHBondContact O-CG 3.27Å; T269-L273 PolarHBondContact O-N 2.86Å; T269-L273 VanDerWaalsContact O-N 3.1Å; T269-V281 HydrophobicContact CG2-CG2 4.11Å
270N98.8Very high98.5Very high17 Ų1747.1 Ų47.19%0.09126%0.26CS..Hα-helixtrans-68.1-32.5-177.4-72.7-81.4000111.9Q266 E268 N274 T275 V278 I279Q266-N270 WeakPolarHBondContact CG-ND2 3.28Å; Q266-N270 PolarHBondContact O-N 3.14Å; Q266-N270 PolarHBondContact O-ND2 2.81Å; E268-N270 PolarHBondContact O-N 2.97Å; N270-N274 PolarHBondContact O-N 2.86Å; N270-T275 HydrophobicContact CB-CG2 4.48Å; N270-T275 PolarHBondContact O-N 3.33Å; N270-T275 PolarHBondContact OD1-OG1 2.75Å; N270-T275 VanDerWaalsContact OD1-OG1 3.09Å; N270-V278 WeakPolarHBondContact OD1-CA 3.45Å; N270-I279 PolarHBondContact ND2-O 3Å; N270-I279 PolarHBondContact OD1-N 2.9Å
271K98.8Very high98.5Very high52 Ų5243.3 Ų43.323%0.22625%0.246CC..Hα-helixtrans-70.8-42.6174.8-176.5165.2-178177.20112.8R122 M123 K124 A127 I129 A267 E268 T269 L273 N274R122-K271 WeakPolarHBondContact O-CD 3.28Å; R122-K271 VanDerWaalsContact O-CE 3.27Å; R122-K271 WeakPolarHBondContact O-CE 3.31Å; R122-K271 PolarHBondContact O-NZ 3.18Å; M123-K271 HydrophobicContact CE-CB 4.32Å; M123-K271 HydrophobicContact CE-CD 3.95Å; M123-K271 HydrophobicContact SD-CD 4.14Å; K124-K271 PolarHBondContact O-NZ 3.31Å; A127-K271 WeakPolarHBondContact O-CE 3.46Å; A127-K271 PolarHBondContact O-NZ 2.78Å; I129-K271 HydrophobicContact CD1-CB 4.13Å; I129-K271 HydrophobicContact CD1-CD 3.91Å; I129-K271 HydrophobicContact CD1-CG 4.06Å; I129-K271 HydrophobicContact CG1-CD 4.09Å; I129-K271 HydrophobicContact CG1-CG 4.26Å; A267-K271 PolarHBondContact O-N 2.88Å; E268-K271 PolarHBondContact O-N 2.82Å; T269-K271 VanDerWaalsContact C-N 3.3Å; T269-K271 PolarHBondContact O-N 3.44Å; K271-L273 VanDerWaalsContact C-N 3.32Å; K271-L273 PolarHBondContact O-N 3.17Å; K271-N274 PolarHBondContact O-N 2.92Å
272I98.8Very high98.5Very high0 Ų046.6 Ų46.60%026%0.264CS..Hα-helixtrans-59.7-45.5176.4-73.7167.3000110.5I129 L131 V134 N135 V157 L161 E268 T269 N274I129-I272 HydrophobicContact CB-CD1 4.46Å; I129-I272 HydrophobicContact CB-CG1 3.65Å; I129-I272 HydrophobicContact CG2-CD1 3.71Å; I129-I272 HydrophobicContact CG2-CG1 3.44Å; I129-I272 VanDerWaalsContact CG2-CG1 3.44Å; L131-I272 HydrophobicContact CB-CG2 4.41Å; V134-I272 HydrophobicContact CG1-CG2 4.18Å; N135-I272 HydrophobicContact CB-CG2 4.02Å; N135-I272 WeakPolarHBondContact CB-O 3.32Å; N135-I272 PolarHBondContact ND2-O 3.22Å; V157-I272 HydrophobicContact CG1-CD1 3.7Å; L161-I272 HydrophobicContact CD1-CB 4.05Å; L161-I272 HydrophobicContact CD1-CD1 3.84Å; L161-I272 HydrophobicContact CD1-CG2 3.69Å; E268-I272 WeakPolarHBondContact O-CB 3.21Å; E268-I272 VanDerWaalsContact O-CG1 3.28Å; E268-I272 WeakPolarHBondContact O-CG1 3.39Å; E268-I272 PolarHBondContact O-N 3.09Å; T269-I272 PolarHBondContact O-N 2.92Å; I272-N274 VanDerWaalsContact C-N 3.33Å
273L98.6Very high98.5Very high39 Ų3946.5 Ų46.520%0.20427%0.268CS..Hα-helixtrans-82.3-7.7-175.8-63.6175.7000113.8V134 L161 F168 T269 K271 T275V134-L273 HydrophobicContact CG1-CD2 3.62Å; L161-L273 HydrophobicContact CD2-CD1 4.18Å; L161-L273 HydrophobicContact CD2-CD2 4.48Å; F168-L273 HydrophobicContact CB-CD1 3.96Å; F168-L273 HydrophobicContact CB-CD2 4.28Å; F168-L273 HydrophobicContact CD1-CD1 3.41Å; F168-L273 VanDerWaalsContact CD1-CD1 3.41Å; F168-L273 HydrophobicContact CE1-CD1 4.09Å; F168-L273 HydrophobicContact CG-CD1 3.88Å; T269-L273 HydrophobicContact CG2-CD1 3.8Å; T269-L273 WeakPolarHBondContact O-CB 3.47Å; T269-L273 WeakPolarHBondContact O-CG 3.27Å; T269-L273 PolarHBondContact O-N 2.86Å; T269-L273 VanDerWaalsContact O-N 3.1Å; K271-L273 VanDerWaalsContact C-N 3.32Å; K271-L273 PolarHBondContact O-N 3.17Å; L273-T275 VanDerWaalsContact C-N 3.27Å; L273-T275 HydrophobicContact CB-CG2 3.76Å; L273-T275 HydrophobicContact CD1-CG2 4.42Å; L273-T275 PolarHBondContact O-N 3.44Å
274N98.3Very high98.5Very high119 Ų11946.8 Ų46.864%0.63628%0.277SS*.THydrogen-bonded Turntrans46.848.6-174.5-168.833000112.8V138 N270 K271 I272V138-N274 HydrophobicContact CG1-CB 4.46Å; V138-N274 HydrophobicContact CG2-CB 3.77Å; N270-N274 PolarHBondContact O-N 2.86Å; K271-N274 PolarHBondContact O-N 2.92Å; I272-N274 VanDerWaalsContact C-N 3.33Å
275T97.5Very high98.5Very high41 Ų4146.4 Ų46.425%0.25228%0.276SS..  trans-65.2138.1-171.155.60000112.6N270 L273 S277 I279N270-T275 HydrophobicContact CB-CG2 4.48Å; N270-T275 PolarHBondContact O-N 3.33Å; N270-T275 PolarHBondContact OD1-OG1 2.75Å; N270-T275 VanDerWaalsContact OD1-OG1 3.09Å; L273-T275 VanDerWaalsContact C-N 3.27Å; L273-T275 HydrophobicContact CB-CG2 3.76Å; L273-T275 HydrophobicContact CD1-CG2 4.42Å; L273-T275 PolarHBondContact O-N 3.44Å; T275-S277 VanDerWaalsContact C-N 3.31Å; T275-S277 WeakPolarHBondContact CB-O 3.44Å; T275-S277 PolarHBondContact O-N 2.97Å; T275-I279 HydrophobicContact CG2-CD1 4Å; T275-I279 HydrophobicContact CG2-CG1 4.26Å
276S96Very high98.5Very high133 Ų13347 Ų4793%0.9328%0.277SS*.SBendtrans-70.2-26.9172.956.50000113.6
277S97.2Very high98.5Very high72 Ų7244.3 Ų44.350%0.50326%0.263SS..SBendtrans-137.2138.517359.90000109.4T275 I279T275-S277 VanDerWaalsContact C-N 3.31Å; T275-S277 WeakPolarHBondContact CB-O 3.44Å; T275-S277 PolarHBondContact O-N 2.97Å; S277-I279 PolarHBondContact O-N 3.28Å
278V98.6Very high98.5Very high95 Ų9544.6 Ų44.658%0.57626%0.263SS*.PPolyproline II helixtrans-60.3122.9-177.8178.30000110.6Q266 N270 P280Q266-V278 HydrophobicContact CG-CG1 4.05Å; N270-V278 WeakPolarHBondContact OD1-CA 3.45Å; V278-P280 WeakPolarHBondContact O-CD 3.16Å
279I98.8Very high98.5Very high15 Ų1546 Ų468%0.07728%0.279CS..PPolyproline II helixtrans-84.9116.9166.5-57.9174.2000107.5F168 V173 N270 T275 S277 V281F168-I279 HydrophobicContact CD1-CD1 3.95Å; F168-I279 HydrophobicContact CE1-CD1 4.18Å; F168-I279 HydrophobicContact CE1-CG2 4.31Å; V173-I279 HydrophobicContact CB-CG2 4.49Å; V173-I279 HydrophobicContact CG1-CG2 3.79Å; N270-I279 PolarHBondContact ND2-O 3Å; N270-I279 PolarHBondContact OD1-N 2.9Å; T275-I279 HydrophobicContact CG2-CD1 4Å; T275-I279 HydrophobicContact CG2-CG1 4.26Å; S277-I279 PolarHBondContact O-N 3.28Å; I279-V281 HydrophobicContact CG2-CG2 4.4Å; I279-V281 PolarHBondContact O-N 2.71Å
280P98.9Very high98.5Very high60 Ų6046.8 Ų46.839%0.3929%0.285SS..PPolyproline II helixtrans-64.8127.5176.7-21.834.3000111.6D174 W175 V176 V278D174-P280 WeakPolarHBondContact O-CD 3.28Å; W175-P280 WeakPolarHBondContact CA-O 3.13Å; W175-P280 HydrophobicContact CB-CB 3.94Å; W175-P280 HydrophobicContact CB-CG 4.23Å; W175-P280 WeakPolarHBondContact CB-O 3.31Å; V176-P280 PolarHBondContact N-O 3.47Å; V278-P280 WeakPolarHBondContact O-CD 3.16Å
281V98.9Very high98.5Very high2 Ų249.3 Ų49.31%0.01230%0.299CS..EExtended strand (participates in β ladder)trans-135.4111.4176.3-178.10000108.3M160 V176 Q266 T269 I279M160-V281 HydrophobicContact CE-CG1 4.43Å; M160-V281 HydrophobicContact SD-CG1 4.38Å; V176-V281 HydrophobicContact CB-CG1 4.39Å; V176-V281 HydrophobicContact CB-CG2 4.35Å; V176-V281 WeakPolarHBondContact O-CA 3.39Å; Q266-V281 HydrophobicContact CB-CB 4.37Å; Q266-V281 WeakPolarHBondContact CB-O 3.27Å; Q266-V281 PolarHBondContact N-O 3.49Å; T269-V281 HydrophobicContact CG2-CG2 4.11Å; I279-V281 HydrophobicContact CG2-CG2 4.4Å; I279-V281 PolarHBondContact O-N 2.71Å
282D98.8Very high98.5Very high80 Ų8049.1 Ų49.143%0.42830%0.296SS..EExtended strand (participates in β ladder)trans-142.4169.8-176.6-152.9-13.5000111V176 S177 V178 Q258V176-D282 PolarHBondContact O-N 2.8Å; V176-D282 VanDerWaalsContact O-N 3.07Å; S177-D282 CarbonylContact C-O 3.01Å; S177-D282 VanDerWaalsContact CA-O 3.24Å; S177-D282 WeakPolarHBondContact CA-O 3.5Å; V178-D282 PolarHBondContact N-O 3.24Å; Q258-D282 PolarHBondContact NE2-OD1 3.21Å; Q258-D282 PolarHBondContact NE2-OD2 3.3Å
283G98.5Very high98.5Very high16 Ų1649.2 Ų49.217%0.16530%0.297CS..EExtended strand (participates in β ladder)trans166.4-164-175.500000115.6V178 E262V178-G283 CarbonylContact O-C 3.51Å; V178-G283 WeakPolarHBondContact O-CA 3.36Å; E262-G283 WeakPolarHBondContact CG-O 3.36Å
284L98.9Very high98.5Very high114 Ų11447.4 Ų47.460%0.59729%0.287SS*.EExtended strand (participates in β ladder)trans-120.7126.1176-64.5174.4000110.3V178 T180 E262V178-L284 PolarHBondContact O-N 3.16Å; T180-L284 PolarHBondContact N-O 3.09Å; E262-L284 WeakPolarHBondContact OE1-CA 3.46Å
285C98.8Very high98.5Very high5 Ų542.1 Ų42.13%0.03426%0.26CS..EExtended strand (participates in β ladder)trans-98.999.3179.3-79.90000112T180 Q182 I250 E261 E262T180-C285 VanDerWaalsContact OG1-CA 3.29Å; T180-C285 WeakPolarHBondContact OG1-CA 3.39Å; Q182-C285 PolarHBondContact NE2-SG 3.32Å; I250-C285 HydrophobicContact CB-CB 4.34Å; I250-C285 HydrophobicContact CD1-CB 4.23Å; I250-C285 WeakPolarHBondContact CG1-O 3.34Å; E261-C285 HydrophobicContact CB-CB 4.07Å; E261-C285 HydrophobicContact CG-CB 3.98Å; E262-C285 HydrophobicContact CG-CB 3.8Å; E262-C285 PolarHBondContact OE1-N 3.33Å
286V98.9Very high98.6Very high24 Ų2440.3 Ų40.315%0.14525%0.248CC..EExtended strand (participates in β ladder)trans-105130-177.2-171.40000111.8T180 Q182 L246 I247 P248 V288T180-V286 WeakPolarHBondContact O-CB 3.41Å; T180-V286 PolarHBondContact O-N 3.27Å; T180-V286 PolarHBondContact OG1-N 2.77Å; Q182-V286 PolarHBondContact N-O 2.93Å; L246-V286 HydrophobicContact CB-CG1 3.87Å; L246-V286 HydrophobicContact CD1-CG1 3.92Å; L246-V286 HydrophobicContact CD2-CG1 4.44Å; L246-V286 HydrophobicContact CG-CG1 4.29Å; I247-V286 WeakPolarHBondContact O-CA 3.46Å; P248-V286 HydrophobicContact CB-CG2 4.34Å; V286-V288 HydrophobicContact CG1-CG1 4.32Å
287R98.8Very high98.7Very high22 Ų2235.3 Ų35.38%0.08322%0.215CC..EExtended strand (participates in β ladder)trans-85.1133.1170.8-169.173.969.1-153.9-7.8109.3Q182 A183 F238 L242 L246 I247 I250Q182-R287 WeakPolarHBondContact O-CA 3.37Å; Q182-R287 WeakPolarHBondContact O-CD 3.39Å; A183-R287 VanDerWaalsContact O-CD 3.28Å; A183-R287 WeakPolarHBondContact O-CD 3.44Å; A183-R287 PolarHBondContact O-NH1 2.98Å; F238-R287 HydrophobicContact CE1-CG 3.9Å; F238-R287 HydrophobicContact CZ-CG 4.46Å; L242-R287 HydrophobicContact CD1-CB 4.34Å; L242-R287 HydrophobicContact CD1-CG 3.92Å; L242-R287 HydrophobicContact CD2-CG 3.97Å; L246-R287 VanDerWaalsContact CA-O 3.31Å; L246-R287 WeakPolarHBondContact CA-O 3.45Å; L246-R287 WeakPolarHBondContact CB-O 3.34Å; I247-R287 HydrophobicContact CB-CB 4.14Å; I247-R287 PolarHBondContact N-O 3.45Å; I247-R287 PolarHBondContact O-N 2.75Å; I250-R287 HydrophobicContact CD1-CB 4.05Å; I250-R287 HydrophobicContact CG1-CB 4.21Å
288V98.9Very high98.8Very high27 Ų2732.2 Ų32.216%0.16419%0.193CC..EExtended strand (participates in β ladder)trans-129.5166.6179-59.20000111.5Y181 Q182 L246 V286 A290Y181-V288 HydrophobicContact CD1-CG1 4.17Å; Q182-V288 PolarHBondContact O-N 2.98Å; L246-V288 HydrophobicContact CB-CG1 4.31Å; V286-V288 HydrophobicContact CG1-CG1 4.32Å; V288-A290 HydrophobicContact CG2-CB 4.26Å; V288-A290 PolarHBondContact O-N 2.95Å
289G98.7Very high98.8Very high34 Ų3429.9 Ų29.935%0.35118%0.179SC..SBendtrans-7144.1-18000000116.1
290A98.7Very high98.8Very high16 Ų1629.2 Ų29.213%0.13218%0.175CC..  trans-103.6149.7171.100000110.9A183 A184 V288A183-A290 CarbonylContact C-O 3.57Å; A183-A290 VanDerWaalsContact CA-O 3.22Å; A183-A290 WeakPolarHBondContact CA-O 3.4Å; A183-A290 HydrophobicContact CB-CB 4.01Å; A183-A290 VanDerWaalsContact CB-O 3.27Å; A183-A290 WeakPolarHBondContact CB-O 3.41Å; A184-A290 PolarHBondContact N-O 3.43Å; V288-A290 HydrophobicContact CG2-CB 4.26Å; V288-A290 PolarHBondContact O-N 2.95Å
291L98.6Very high98.8Very high70 Ų7027.9 Ų27.937%0.36616%0.163SC..SBendtrans-76.4-57.5-176.1-78.2174.6000113.7S185 M192 L195 L196S185-L291 VanDerWaalsContact CB-O 3.28Å; S185-L291 WeakPolarHBondContact CB-O 2.99Å; S185-L291 PolarHBondContact N-O 3.21Å; M192-L291 HydrophobicContact CB-CD2 4.36Å; M192-L291 HydrophobicContact CE-CB 4.31Å; M192-L291 HydrophobicContact CE-CD2 4.23Å; L195-L291 HydrophobicContact CD2-CD2 4.42Å; L196-L291 HydrophobicContact CD1-CD2 4.12Å; L196-L291 HydrophobicContact CD2-CD1 4.37Å; L196-L291 HydrophobicContact CD2-CD2 4.04Å; L196-L291 HydrophobicContact CG-CD2 3.93Å
292R98.4Very high98.8Very high48 Ų4827.9 Ų27.918%0.18116%0.163CC..SBendtrans-142.1-0.1-173.164-179.2-75179.9-3.5117.9S185 T342 D369 Q370 L371S185-R292 WeakPolarHBondContact OG-CA 3.42Å; R292-T342 HydrophobicContact CG-CG2 3.64Å; R292-D369 IonicContact CZ-OD1 2.88Å; R292-D369 IonicContact CZ-OD2 2.67Å; R292-D369 VanDerWaalsContact CZ-OD2 3.27Å; R292-D369 VanDerWaalsContact NE-CG 3.33Å; R292-D369 IonicContact NE-OD1 3.54Å; R292-D369 PolarHBondContact NE-OD1 3.12Å; R292-D369 IonicContact NE-OD2 3Å; R292-D369 PolarHBondContact NE-OD2 3.5Å; R292-D369 VanDerWaalsContact NH2-CG 3.31Å; R292-D369 IonicContact NH2-OD1 3.67Å; R292-D369 PolarHBondContact NH2-OD1 3.21Å; R292-D369 IonicContact NH2-OD2 3.11Å; R292-D369 PolarHBondContact NH2-OD2 2.92Å; R292-Q370 WeakPolarHBondContact O-CB 3.44Å; R292-Q370 PolarHBondContact O-N 3.28Å; R292-L371 HydrophobicContact CB-CD1 4.34Å
293C98.8Very high98.8Very high1 Ų128.4 Ų28.41%0.00716%0.162CC..EExtended strand (participates in β ladder)trans-100.3136.9173.4-73.70000111.8A183 P338 T342 V367 G368A183-C293 WeakPolarHBondContact CB-O 3.28Å; C293-P338 HydrophobicContact CB-CB 3.85Å; C293-P338 HydrophobicContact CB-CG 4.23Å; C293-T342 WeakPolarHBondContact SG-CA 3.33Å; C293-T342 PolarHBondContact SG-N 2.85Å; C293-T342 VanDerWaalsContact SG-N 3.36Å; C293-T342 PolarHBondContact SG-OG1 3.04Å; C293-V367 HydrophobicContact CB-CG1 3.92Å; C293-G368 CarbonylContact C-O 3.52Å; C293-G368 VanDerWaalsContact CA-O 3.23Å; C293-G368 WeakPolarHBondContact CA-O 3.43Å
294H98.8Very high98.8Very high1 Ų133.5 Ų33.51%0.00518%0.179CC..EExtended strand (participates in β ladder)trans-94.3134.3166.4-67.42.6000108.6C155 L159 A183 V367 G368 Q370C155-H294 PolarHBondContact SG-NE2 3.41Å; C155-H294 VanDerWaalsContact SG-NE2 3.43Å; L159-H294 HydrophobicContact CD1-CB 3.93Å; A183-H294 PolarHBondContact N-CE1 3.08Å; A183-H294 PolarHBondContact N-ND1 3.31Å; H294-V367 WeakPolarHBondContact O-CA 3.26Å; H294-G368 PolarHBondContact N-O 3.49Å; H294-G368 PolarHBondContact O-N 3.02Å; H294-Q370 WeakPolarHBondContact NE2-CG 3.35Å
295S98.9Very high98.8Very high8 Ų832.6 Ų32.66%0.05618%0.175CC..EExtended strand (participates in β ladder)trans-110.2152.6167.9-39.40000109.6Y181 F365 T366Y181-S295 PolarHBondContact N-O 3.35Å; Y181-S295 PolarHBondContact O-N 2.69Å; S295-F365 VanDerWaalsContact CB-CZ 3.47Å; S295-T366 CarbonylContact C-O 3.59Å; S295-T366 WeakPolarHBondContact CA-O 3.49Å; S295-T366 WeakPolarHBondContact CB-O 3.48Å
296Q98.9Very high98.8Very high3 Ų333.1 Ų33.11%0.01418%0.178CC..EExtended strand (participates in β ladder)trans-142.9127.8-176.1-59.5-176.779.200109.6T156 V178 T180 F298 F365 T366T156-Q296 PolarHBondContact O-NE2 2.65Å; T156-Q296 VanDerWaalsContact O-NE2 3.09Å; T156-Q296 PolarHBondContact O-OE1 3.12Å; V178-Q296 HydrophobicContact CG2-CB 3.96Å; V178-Q296 HydrophobicContact CG2-CG 4.41Å; T180-Q296 HydrophobicContact CG2-CG 4.19Å; Q296-F298 HydrophobicContact CB-CD2 4.31Å; Q296-F298 HydrophobicContact CB-CE1 3.96Å; Q296-F298 HydrophobicContact CB-CE2 3.37Å; Q296-F298 HydrophobicContact CB-CZ 3.18Å; Q296-F298 HydrophobicContact CG-CZ 4.04Å; Q296-F298 WeakPolarHBondContact O-CD2 3.18Å; Q296-F298 VanDerWaalsContact O-CE2 3.3Å; Q296-F298 WeakPolarHBondContact O-CE2 3.35Å; Q296-F365 CarbonylContact O-C 3.06Å; Q296-F365 VanDerWaalsContact O-CA 3.28Å; Q296-F365 WeakPolarHBondContact O-CA 3.45Å; Q296-T366 PolarHBondContact N-O 3.44Å; Q296-T366 PolarHBondContact O-N 2.92Å
297A98.9Very high98.7Very high28 Ų2834.6 Ų34.623%0.23119%0.19CC..EExtended strand (participates in β ladder)trans-101.7130.3171.900000109V178 A179 Y181 F365V178-A297 CarbonylContact C-O 3.51Å; V178-A297 WeakPolarHBondContact CA-O 3.39Å; A179-A297 PolarHBondContact N-O 2.89Å; A179-A297 PolarHBondContact O-N 3.42Å; Y181-A297 HydrophobicContact CE2-CB 4.02Å; A297-F365 HydrophobicContact CB-CD2 3.87Å; A297-F365 HydrophobicContact CB-CE2 4.29Å
298F98.9Very high98.7Very high7 Ų735.2 Ų35.23%0.03119%0.194CC..EExtended strand (participates in β ladder)trans-120139.7-173.2-53.9-89000112M160 L164 V176 S177 V178 Q296 I300 A364 T366M160-F298 HydrophobicContact CB-CE1 4.27Å; M160-F298 HydrophobicContact CB-CZ 4.18Å; M160-F298 HydrophobicContact CG-CE1 3.59Å; M160-F298 HydrophobicContact CG-CZ 3.83Å; M160-F298 HydrophobicContact SD-CE1 3.85Å; L164-F298 HydrophobicContact CD1-CD1 4.12Å; L164-F298 HydrophobicContact CD1-CD2 4.24Å; L164-F298 HydrophobicContact CD1-CE1 4.08Å; L164-F298 HydrophobicContact CD1-CE2 4.2Å; L164-F298 HydrophobicContact CD1-CG 4.18Å; L164-F298 HydrophobicContact CD1-CZ 4.1Å; V176-F298 HydrophobicContact CG1-CD1 3.75Å; V176-F298 HydrophobicContact CG1-CE1 4.5Å; S177-F298 WeakPolarHBondContact O-CA 3.47Å; V178-F298 HydrophobicContact CB-CD1 3.88Å; V178-F298 HydrophobicContact CB-CE1 4.01Å; V178-F298 HydrophobicContact CG2-CD1 3.65Å; V178-F298 HydrophobicContact CG2-CE1 3.45Å; V178-F298 VanDerWaalsContact CG2-CE1 3.45Å; V178-F298 HydrophobicContact CG2-CZ 4.18Å; Q296-F298 HydrophobicContact CB-CD2 4.31Å; Q296-F298 HydrophobicContact CB-CE1 3.96Å; Q296-F298 HydrophobicContact CB-CE2 3.37Å; Q296-F298 HydrophobicContact CB-CZ 3.18Å; Q296-F298 HydrophobicContact CG-CZ 4.04Å; Q296-F298 WeakPolarHBondContact O-CD2 3.18Å; Q296-F298 VanDerWaalsContact O-CE2 3.3Å; Q296-F298 WeakPolarHBondContact O-CE2 3.35Å; F298-I300 HydrophobicContact CB-CD1 4.02Å; F298-I300 HydrophobicContact CB-CG1 3.78Å; F298-A364 HydrophobicContact CB-CB 4.31Å; F298-A364 HydrophobicContact CD2-CB 4.08Å; F298-A364 PolarHBondContact N-O 3.35Å; F298-A364 PolarHBondContact O-N 3.44Å; F298-T366 HydrophobicContact CD2-CG2 4.31Å; F298-T366 HydrophobicContact CE2-CG2 3.58Å; F298-T366 WeakPolarHBondContact CE2-OG1 3.39Å; F298-T366 HydrophobicContact CZ-CG2 4.42Å
299T98.9Very high98.7Very high46 Ų4638.1 Ų38.128%0.28221%0.214SC..EExtended strand (participates in β ladder)trans-106.9113.5154.1-64.10000107.2W175 S177 L355 M357 F361W175-T299 HydrophobicContact CH2-CG2 3.83Å; W175-T299 HydrophobicContact CZ3-CG2 3.9Å; W175-T299 WeakPolarHBondContact CZ3-O 3.5Å; S177-T299 PolarHBondContact N-O 2.64Å; S177-T299 PolarHBondContact O-N 3.18Å; T299-L355 HydrophobicContact CG2-CD1 3.81Å; T299-M357 HydrophobicContact CG2-CE 4.49Å; T299-F361 HydrophobicContact CG2-CD1 4.46Å
300I98.9Very high98.7Very high1 Ų139.3 Ų39.31%0.00521%0.214CC..EExtended strand (participates in β ladder)trans-111.3123.7-176.6-56.4165.8000107.4L164 L167 V173 V176 F298 L302 F361 L362 A364L164-I300 HydrophobicContact CD1-CD1 3.88Å; L164-I300 HydrophobicContact CD2-CD1 4.34Å; L167-I300 HydrophobicContact CD1-CD1 4.26Å; V173-I300 HydrophobicContact CG1-CG2 4.42Å; V173-I300 HydrophobicContact CG2-CG2 4.48Å; V176-I300 HydrophobicContact CG1-CG1 4.38Å; V176-I300 HydrophobicContact CG2-CG1 4.41Å; V176-I300 HydrophobicContact CG2-CG2 4.37Å; F298-I300 HydrophobicContact CB-CD1 4.02Å; F298-I300 HydrophobicContact CB-CG1 3.78Å; I300-L302 HydrophobicContact CG2-CD2 3.89Å; I300-F361 CarbonylContact O-C 3.51Å; I300-F361 WeakPolarHBondContact O-CA 3.32Å; I300-L362 HydrophobicContact CB-CB 4.2Å; I300-L362 HydrophobicContact CD1-CD2 4.15Å; I300-L362 PolarHBondContact N-O 3.41Å; I300-L362 PolarHBondContact O-N 3.14Å; I300-A364 HydrophobicContact CD1-CB 4.05Å
301K98.9Very high98.7Very high33 Ų3338.5 Ų38.514%0.14321%0.208CC..EExtended strand (participates in β ladder)trans-89.1124.7165.7176.472.5-166.2-50.80108.5D174 W175 E360 F361D174-K301 HydrophobicContact CB-CB 4.1Å; D174-K301 HydrophobicContact CB-CG 3.63Å; D174-K301 WeakPolarHBondContact CB-O 3.48Å; D174-K301 PolarHBondContact N-O 3.05Å; D174-K301 VanDerWaalsContact OD2-CG 3.24Å; D174-K301 WeakPolarHBondContact OD2-CG 3.41Å; D174-K301 IonicContact OD2-NZ 3.2Å; D174-K301 PolarHBondContact OD2-NZ 2.77Å; W175-K301 HydrophobicContact CD2-CB 3.55Å; W175-K301 HydrophobicContact CE3-CB 4.17Å; W175-K301 HydrophobicContact CG-CB 3.9Å; W175-K301 HydrophobicContact CH2-CB 4.17Å; W175-K301 HydrophobicContact CZ2-CB 3.58Å; W175-K301 HydrophobicContact CZ2-CG 4.3Å; W175-K301 HydrophobicContact CZ3-CB 4.43Å; W175-K301 PolarHBondContact N-O 3.36Å; W175-K301 VanDerWaalsContact NE1-CB 3.34Å; W175-K301 PolarHBondContact O-N 3.32Å; K301-E360 HydrophobicContact CD-CB 4.1Å; K301-E360 WeakPolarHBondContact CE-OE2 3.4Å; K301-E360 IonicContact NZ-OE2 3.95Å; K301-F361 HydrophobicContact CD-CD1 4.29Å; K301-F361 HydrophobicContact CD-CD2 4.46Å; K301-F361 HydrophobicContact CD-CE1 3.97Å; K301-F361 HydrophobicContact CD-CE2 4.14Å; K301-F361 HydrophobicContact CD-CZ 3.89Å
302L98.9Very high98.7Very high1 Ų138.2 Ų38.21%0.00520%0.204CC..EExtended strand (participates in β ladder)trans-89.9148.4173.8-56.4177.8000109.9L167 L172 I300 K304 E360 L362L167-L302 HydrophobicContact CD2-CD2 4.43Å; L172-L302 HydrophobicContact CB-CD2 4.42Å; L172-L302 CarbonylContact O-C 3.57Å; L172-L302 WeakPolarHBondContact O-CA 3.29Å; I300-L302 HydrophobicContact CG2-CD2 3.89Å; L302-K304 WeakPolarHBondContact CB-O 3.35Å; L302-K304 PolarHBondContact O-N 2.94Å; L302-E360 PolarHBondContact N-O 3.02Å; L302-L362 HydrophobicContact CD1-CB 4.16Å; L302-L362 HydrophobicContact CD2-CD2 4.38Å; L302-L362 HydrophobicContact CG-CB 4.26Å
303K98.7Very high98.8Very high91 Ų9142.6 Ų42.640%0.39623%0.227SC..SBendtrans-68.6-16175.2-62.3-167.4-167.8177.90113.5D171 L172 V173 D174D171-K303 WeakPolarHBondContact O-CD 3.18Å; D171-K303 WeakPolarHBondContact O-CE 3.16Å; D171-K303 IonicContact OD1-NZ 2.64Å; D171-K303 PolarHBondContact OD1-NZ 3.13Å; D171-K303 IonicContact OD2-NZ 2.77Å; D171-K303 PolarHBondContact OD2-NZ 3.34Å; L172-K303 PolarHBondContact O-N 3.47Å; V173-K303 WeakPolarHBondContact O-CE 3.38Å; D174-K303 HydrophobicContact CB-CG 4.06Å
304K98.6Very high98.8Very high123 Ų12344.2 Ų44.254%0.53524%0.235SC..SBendtrans-156.9161.6179.162-175.5176.5-174.50110.8L172 L302 V306L172-K304 HydrophobicContact CD2-CD 4.43Å; L172-K304 HydrophobicContact CD2-CG 4.35Å; L302-K304 WeakPolarHBondContact CB-O 3.35Å; L302-K304 PolarHBondContact O-N 2.94Å; K304-V306 HydrophobicContact CG-CG2 3.9Å; K304-V306 PolarHBondContact O-N 3.31Å
305D98.7Very high98.8Very high96 Ų9644.2 Ų44.251%0.51324%0.235SC..  trans-69.4114.3171.4-175.910.1000111.2K354 P359D305-K354 IonicContact OD1-NZ 3.56Å; D305-K354 PolarHBondContact OD1-NZ 3.22Å; D305-P359 HydrophobicContact CB-CB 4.24Å; D305-P359 WeakPolarHBondContact OD2-CB 3.3Å
306V98Very high98.7Very high15 Ų1546.3 Ų46.39%0.09125%0.253CS..  trans-118.9136.7174.6-177.10000109L172 K304 T310 V311 K354L172-V306 HydrophobicContact CD1-CG2 4.21Å; L172-V306 HydrophobicContact CD2-CG2 4.11Å; K304-V306 HydrophobicContact CG-CG2 3.9Å; K304-V306 PolarHBondContact O-N 3.31Å; V306-T310 HydrophobicContact CG1-CG2 3.58Å; V306-V311 HydrophobicContact CB-CG2 4.28Å; V306-V311 HydrophobicContact CG1-CG2 4.03Å; V306-K354 WeakPolarHBondContact O-CE 3.41Å; V306-K354 PolarHBondContact O-NZ 2.88Å
307S98.6Very high98.7Very high56 Ų5650 Ų5039%0.39228%0.284SS..  trans-63.3150.7-179.787.70000111.9T310 V311S307-T310 PolarHBondContact O-N 2.74Å; S307-T310 WeakPolarHBondContact OG-CB 3.4Å; S307-T310 PolarHBondContact OG-N 2.77Å; S307-T310 VanDerWaalsContact OG-N 3.16Å; S307-T310 PolarHBondContact OG-OG1 3.23Å; S307-V311 WeakPolarHBondContact O-CG2 3.48Å; S307-V311 PolarHBondContact O-N 3.27Å
308I98.8Very high98.7Very high35 Ų3550.9 Ų50.918%0.17928%0.283CS..Hα-helixtrans-59.9-44.4176.5-66.6-61.4000112.4T310 V311 E312 K354 L362I308-T310 VanDerWaalsContact C-N 3.28Å; I308-T310 PolarHBondContact O-N 2.89Å; I308-V311 WeakPolarHBondContact O-CB 3.31Å; I308-V311 PolarHBondContact O-N 3.11Å; I308-V311 VanDerWaalsContact O-N 3.08Å; I308-E312 HydrophobicContact CG2-CG 4.25Å; I308-E312 VanDerWaalsContact CG2-OE1 3.22Å; I308-E312 WeakPolarHBondContact CG2-OE1 3.43Å; I308-E312 WeakPolarHBondContact O-CG 3.5Å; I308-E312 PolarHBondContact O-N 3.43Å; I308-K354 HydrophobicContact CD1-CD 3.92Å; I308-K354 HydrophobicContact CD1-CG 4.22Å; I308-K354 HydrophobicContact CG1-CD 4.44Å; I308-K354 HydrophobicContact CG1-CG 4.31Å; I308-L362 HydrophobicContact CD1-CD1 3.76Å
309P98.7Very high98.7Very high88 Ų8851 Ų5157%0.57128%0.284SS*.Hα-helixtrans-56.1-40.5173.7-28.236.3000113.5E312 E313P309-E312 PolarHBondContact O-N 3.15Å; P309-E313 WeakPolarHBondContact O-CB 3.48Å; P309-E313 PolarHBondContact O-N 3.23Å
310T98.7Very high98.7Very high58 Ų5854.1 Ų54.136%0.35631%0.305SS..Hα-helixtrans-66.3-41.5175.3-53.30000111.6V306 S307 I308 E312 E313 L314V306-T310 HydrophobicContact CG1-CG2 3.58Å; S307-T310 PolarHBondContact O-N 2.74Å; S307-T310 WeakPolarHBondContact OG-CB 3.4Å; S307-T310 PolarHBondContact OG-N 2.77Å; S307-T310 VanDerWaalsContact OG-N 3.16Å; S307-T310 PolarHBondContact OG-OG1 3.23Å; I308-T310 VanDerWaalsContact C-N 3.28Å; I308-T310 PolarHBondContact O-N 2.89Å; T310-E312 VanDerWaalsContact C-N 3.34Å; T310-E312 PolarHBondContact O-N 2.8Å; T310-E313 PolarHBondContact O-N 2.89Å; T310-L314 HydrophobicContact CG2-CD1 4.22Å; T310-L314 HydrophobicContact CG2-CG 4.38Å; T310-L314 VanDerWaalsContact O-CG 3.26Å; T310-L314 WeakPolarHBondContact O-CG 3.37Å; T310-L314 PolarHBondContact O-N 3.01Å
311V98.8Very high98.7Very high0 Ų056.5 Ų56.50%031%0.314CS..Hα-helixtrans-58.6-46.9174.4166.30000110.8L167 V306 S307 I308 L314 L315 L352 L362L167-V311 HydrophobicContact CD2-CG1 4.25Å; L167-V311 HydrophobicContact CD2-CG2 4.35Å; V306-V311 HydrophobicContact CB-CG2 4.28Å; V306-V311 HydrophobicContact CG1-CG2 4.03Å; S307-V311 WeakPolarHBondContact O-CG2 3.48Å; S307-V311 PolarHBondContact O-N 3.27Å; I308-V311 WeakPolarHBondContact O-CB 3.31Å; I308-V311 PolarHBondContact O-N 3.11Å; I308-V311 VanDerWaalsContact O-N 3.08Å; V311-L314 PolarHBondContact O-N 2.86Å; V311-L315 HydrophobicContact CG1-CD1 3.88Å; V311-L315 HydrophobicContact CG1-CG 4.43Å; V311-L315 WeakPolarHBondContact O-CB 3.4Å; V311-L315 VanDerWaalsContact O-CG 3.25Å; V311-L315 WeakPolarHBondContact O-CG 3.36Å; V311-L315 PolarHBondContact O-N 2.79Å; V311-L352 HydrophobicContact CG1-CD2 4.3Å; V311-L362 HydrophobicContact CG1-CD1 4.25Å; V311-L362 HydrophobicContact CG1-CD2 3.81Å; V311-L362 HydrophobicContact CG2-CD2 4.49Å
312E98.8Very high98.7Very high63 Ų6355.1 Ų55.129%0.29431%0.309SS..Hα-helixtrans-60.5-45.2178.2-69.9176.6-166.700111.8I308 P309 T310 L315 A316 V324 L352I308-E312 HydrophobicContact CG2-CG 4.25Å; I308-E312 VanDerWaalsContact CG2-OE1 3.22Å; I308-E312 WeakPolarHBondContact CG2-OE1 3.43Å; I308-E312 WeakPolarHBondContact O-CG 3.5Å; I308-E312 PolarHBondContact O-N 3.43Å; P309-E312 PolarHBondContact O-N 3.15Å; T310-E312 VanDerWaalsContact C-N 3.34Å; T310-E312 PolarHBondContact O-N 2.8Å; E312-L315 PolarHBondContact O-N 2.67Å; E312-A316 WeakPolarHBondContact O-CB 3.29Å; E312-A316 PolarHBondContact O-N 3Å; E312-V324 HydrophobicContact CB-CG1 4.12Å; E312-V324 HydrophobicContact CG-CG1 3.9Å; E312-L352 HydrophobicContact CG-CD1 3.79Å
313E98.7Very high98.7Very high140 Ų14058.9 Ų58.965%0.65433%0.325SS*.Hα-helixtrans-59.7-49.3177.2-173.3-178.2124.700111.9P309 T310 L315 A316 A317P309-E313 WeakPolarHBondContact O-CB 3.48Å; P309-E313 PolarHBondContact O-N 3.23Å; T310-E313 PolarHBondContact O-N 2.89Å; E313-L315 VanDerWaalsContact C-N 3.33Å; E313-L315 PolarHBondContact O-N 2.86Å; E313-A316 PolarHBondContact O-N 2.83Å; E313-A317 WeakPolarHBondContact O-CB 3.18Å; E313-A317 PolarHBondContact O-N 3.34Å
314L98.7Very high98.7Very high35 Ų3556 Ų5618%0.18332%0.315CS..Hα-helixtrans-62.4-40.2-179.4-67177.5000112.2G166 N170 L172 T310 V311 H318G166-L314 WeakPolarHBondContact CA-O 3.47Å; N170-L314 HydrophobicContact CB-CD1 4.42Å; L172-L314 HydrophobicContact CD1-CD1 3.57Å; T310-L314 HydrophobicContact CG2-CD1 4.22Å; T310-L314 HydrophobicContact CG2-CG 4.38Å; T310-L314 VanDerWaalsContact O-CG 3.26Å; T310-L314 WeakPolarHBondContact O-CG 3.37Å; T310-L314 PolarHBondContact O-N 3.01Å; V311-L314 PolarHBondContact O-N 2.86Å; L314-H318 PolarHBondContact O-N 3.45Å
315L98.8Very high98.7Very high1 Ų150.2 Ų50.21%0.00529%0.29CS..Hα-helixtrans-67.4-48.8178.2-70.5177.5000111.6L164 L167 V311 E312 E313 A317 H318 V324 V349 L352L164-L315 HydrophobicContact CD2-CD2 4.43Å; L167-L315 HydrophobicContact CD1-CD2 4.17Å; L167-L315 HydrophobicContact CG-CD2 3.79Å; L167-L315 HydrophobicContact CG-CG 4.36Å; V311-L315 HydrophobicContact CG1-CD1 3.88Å; V311-L315 HydrophobicContact CG1-CG 4.43Å; V311-L315 WeakPolarHBondContact O-CB 3.4Å; V311-L315 VanDerWaalsContact O-CG 3.25Å; V311-L315 WeakPolarHBondContact O-CG 3.36Å; V311-L315 PolarHBondContact O-N 2.79Å; E312-L315 PolarHBondContact O-N 2.67Å; E313-L315 VanDerWaalsContact C-N 3.33Å; E313-L315 PolarHBondContact O-N 2.86Å; L315-A317 PolarHBondContact O-N 3.41Å; L315-H318 PolarHBondContact O-N 3.32Å; L315-V324 HydrophobicContact CB-CG2 3.91Å; L315-V349 HydrophobicContact CD1-CG1 4.21Å; L315-V349 HydrophobicContact CD1-CG2 4.31Å; L315-L352 HydrophobicContact CD1-CD1 3.82Å; L315-L352 HydrophobicContact CD1-CD2 3.86Å
316A98.6Very high98.7Very high52 Ų5248.3 Ų48.343%0.4328%0.283SS..Hα-helixtrans-67.4-34.1-178.800000112.9E312 E313 V324E312-A316 WeakPolarHBondContact O-CB 3.29Å; E312-A316 PolarHBondContact O-N 3Å; E313-A316 PolarHBondContact O-N 2.83Å; A316-V324 HydrophobicContact CB-CB 4.48Å; A316-V324 HydrophobicContact CB-CG2 3.82Å
317A98.6Very high98.7Very high80 Ų8050.4 Ų50.466%0.66129%0.293SS*.Hα-helixtrans-76.1-23-178.600000113.6E313 L315E313-A317 WeakPolarHBondContact O-CB 3.18Å; E313-A317 PolarHBondContact O-N 3.34Å; L315-A317 PolarHBondContact O-N 3.41Å
318H98.6Very high98.7Very high48 Ų4852.9 Ų52.922%0.22230%0.302CS..Hα-helixtrans-66.3-43.8-172.1-177.3-78.3000113.4P133 G165 G166 L314 L315P133-H318 PolarHBondContact O-CE1 2.96Å; G165-H318 VanDerWaalsContact C-NE2 3.33Å; G165-H318 PolarHBondContact O-CD2 3.29Å; G165-H318 PolarHBondContact O-NE2 3.12Å; G166-H318 VanDerWaalsContact CA-CD2 3.5Å; G166-H318 WeakPolarHBondContact CA-CD2 3.4Å; G166-H318 PolarHBondContact N-CD2 3.24Å; L314-H318 PolarHBondContact O-N 3.45Å; L315-H318 PolarHBondContact O-N 3.32Å
319N98.6Very high98.7Very high8 Ų861 Ų614%0.04333%0.331CS..  trans-155.6150.7177.573.183.1000111P133 M162 W321 A322P133-N319 HydrophobicContact CB-CB 4.18Å; M162-N319 PolarHBondContact O-ND2 2.82Å; N319-W321 HydrophobicContact CB-CE3 4.02Å; N319-W321 HydrophobicContact CB-CZ3 4.42Å; N319-W321 PolarHBondContact O-N 3.08Å; N319-W321 VanDerWaalsContact O-N 3.1Å; N319-W321 WeakPolarHBondContact OD1-CA 3.35Å; N319-W321 WeakPolarHBondContact OD1-CB 3.45Å; N319-W321 PolarHBondContact OD1-N 2.94Å; N319-A322 PolarHBondContact O-N 2.81Å; N319-A322 PolarHBondContact OD1-N 3.15Å
320P98.4Very high98.7Very high112 Ų11263 Ų6373%0.72733%0.333SS*.THydrogen-bonded Turntrans-69.7-10.3-173.828.6-36.5000114.3
321W98.8Very high98.7Very high52 Ų5262.1 Ų62.120%0.19733%0.325CS..THydrogen-bonded Turntrans-90.9-22.1180-55.4-76.4000112.5P133 M162 N319 K323 L345 T347 W373P133-W321 HydrophobicContact CB-CE3 4.38Å; P133-W321 HydrophobicContact CB-CZ3 3.91Å; P133-W321 HydrophobicContact CG-CE3 4.18Å; P133-W321 HydrophobicContact CG-CH2 4.34Å; P133-W321 HydrophobicContact CG-CZ3 3.56Å; M162-W321 HydrophobicContact CE-CB 3.97Å; M162-W321 HydrophobicContact CE-CD2 4.12Å; M162-W321 HydrophobicContact CE-CE3 3.58Å; M162-W321 HydrophobicContact CE-CG 4.3Å; M162-W321 HydrophobicContact CE-CZ3 4.39Å; N319-W321 HydrophobicContact CB-CE3 4.02Å; N319-W321 HydrophobicContact CB-CZ3 4.42Å; N319-W321 PolarHBondContact O-N 3.08Å; N319-W321 VanDerWaalsContact O-N 3.1Å; N319-W321 WeakPolarHBondContact OD1-CA 3.35Å; N319-W321 WeakPolarHBondContact OD1-CB 3.45Å; N319-W321 PolarHBondContact OD1-N 2.94Å; W321-K323 VanDerWaalsContact C-N 3.28Å; W321-K323 PolarHBondContact O-N 3.24Å; W321-L345 WeakPolarHBondContact CB-O 3.46Å; W321-T347 PolarHBondContact O-N 2.82Å; W321-T347 PolarHBondContact O-OG1 3.23Å; W321-W373 AromaticContact CD1-NE1 3.81Å; W321-W373 AromaticContact CD2-CE2 3.99Å; W321-W373 HydrophobicContact CD2-CH2 4.44Å; W321-W373 AromaticContact CD2-CZ2 3.45Å; W321-W373 HydrophobicContact CD2-CZ2 3.45Å; W321-W373 VanDerWaalsContact CD2-CZ2 3.45Å; W321-W373 AromaticContact CD2-NE1 3.99Å; W321-W373 AromaticContact CE2-CZ2 3.53Å; W321-W373 HydrophobicContact CE3-CH2 4.18Å; W321-W373 AromaticContact CE3-CZ2 3.58Å; W321-W373 HydrophobicContact CE3-CZ2 3.58Å; W321-W373 HydrophobicContact CG-CZ2 4.06Å; W321-W373 AromaticContact CG-NE1 3.62Å; W321-W373 HydrophobicContact CH2-CH2 4.04Å; W321-W373 AromaticContact CH2-CZ2 3.83Å; W321-W373 HydrophobicContact CH2-CZ2 3.83Å; W321-W373 HydrophobicContact CZ2-CH2 4.32Å; W321-W373 AromaticContact CZ2-CZ2 3.73Å; W321-W373 HydrophobicContact CZ2-CZ2 3.73Å; W321-W373 AromaticContact CZ3-CH2 3.97Å; W321-W373 HydrophobicContact CZ3-CH2 3.97Å; W321-W373 AromaticContact CZ3-CZ2 3.77Å; W321-W373 HydrophobicContact CZ3-CZ2 3.77Å
322A98.7Very high98.7Very high3 Ų363.1 Ų63.13%0.02533%0.331CS..  trans-76.569.9176.800000112.5M162 N319 V324M162-A322 WeakPolarHBondContact O-CB 3.24Å; N319-A322 PolarHBondContact O-N 2.81Å; N319-A322 PolarHBondContact OD1-N 3.15Å; A322-V324 PolarHBondContact O-N 3.04Å
323K98.8Very high98.7Very high80 Ų8066 Ų6635%0.34835%0.346SS..  trans-70.2112.8178.1-174.7-17864.4165.60111.1W321 V325 E335 T346 P348 V349W321-K323 VanDerWaalsContact C-N 3.28Å; W321-K323 PolarHBondContact O-N 3.24Å; K323-V325 PolarHBondContact O-N 3.14Å; K323-E335 WeakPolarHBondContact CE-OE2 3.48Å; K323-E335 IonicContact NZ-OE2 3.23Å; K323-E335 PolarHBondContact NZ-OE2 2.91Å; K323-T346 HydrophobicContact CB-CG2 3.8Å; K323-P348 HydrophobicContact CB-CB 4.42Å; K323-P348 CarbonylContact O-C 3.51Å; K323-P348 WeakPolarHBondContact O-CA 3.38Å; K323-V349 PolarHBondContact O-N 3.08Å
324V98.8Very high98.7Very high30 Ų3066.2 Ų66.218%0.18234%0.341CS..BIsolated β-bridgetrans-72.2119170176.80000109.9E312 L315 A316 A322 V349 L352E312-V324 HydrophobicContact CB-CG1 4.12Å; E312-V324 HydrophobicContact CG-CG1 3.9Å; L315-V324 HydrophobicContact CB-CG2 3.91Å; A316-V324 HydrophobicContact CB-CB 4.48Å; A316-V324 HydrophobicContact CB-CG2 3.82Å; A322-V324 PolarHBondContact O-N 3.04Å; V324-V349 CarbonylContact C-O 3.53Å; V324-V349 WeakPolarHBondContact CA-O 3.47Å; V324-V349 HydrophobicContact CG2-CG1 3.92Å; V324-L352 HydrophobicContact CG1-CD1 3.9Å
325V98.8Very high98.7Very high2 Ų267.4 Ų67.41%0.01235%0.346CS..PPolyproline II helixtrans-93.9119.9175.5179.90000108.4K323 N327 I331 E335 L336 P348 V349K323-V325 PolarHBondContact O-N 3.14Å; V325-N327 PolarHBondContact O-N 3.06Å; V325-I331 HydrophobicContact CG1-CG1 4.25Å; V325-I331 HydrophobicContact CG1-CG2 4.2Å; V325-E335 HydrophobicContact CG1-CB 4.36Å; V325-E335 HydrophobicContact CG2-CB 4.15Å; V325-L336 HydrophobicContact CG2-CD1 4.13Å; V325-P348 HydrophobicContact CG2-CB 3.86Å; V325-V349 PolarHBondContact N-O 3.46Å
326P98.7Very high98.7Very high56 Ų5667.7 Ų67.736%0.36435%0.347SS..PPolyproline II helixtrans-50.2141.4176.4-27.533.6000112D328 I331P326-D328 PolarHBondContact O-N 3.08Å; P326-I331 HydrophobicContact CB-CG2 4.14Å; P326-I331 HydrophobicContact CG-CD1 4.18Å; P326-I331 WeakPolarHBondContact O-CG2 3.33Å
327N98.7Very high98.7Very high59 Ų5967 Ų6732%0.31634%0.338SS..SBendtrans-78.251.1-175.4-173.230.2000112.6V325 R351 L352V325-N327 PolarHBondContact O-N 3.06Å; N327-R351 WeakPolarHBondContact OD1-CA 3.28Å; N327-R351 PolarHBondContact OD1-NE 2.97Å; N327-R351 VanDerWaalsContact OD1-NE 3.09Å; N327-L352 PolarHBondContact ND2-O 2.95Å
328D98.7Very high98.7Very high108 Ų10865.2 Ų65.258%0.57832%0.319SS*.  trans-115.7145.1177.8-68.1-74.3000110.5P326 E330 I331 T332P326-D328 PolarHBondContact O-N 3.08Å; D328-E330 PolarHBondContact O-N 3.37Å; D328-I331 HydrophobicContact CB-CG2 3.94Å; D328-I331 WeakPolarHBondContact O-CG2 3.28Å; D328-T332 VanDerWaalsContact O-CB 3.24Å; D328-T332 WeakPolarHBondContact O-CB 3.41Å; D328-T332 PolarHBondContact O-N 3.45Å; D328-T332 PolarHBondContact O-OG1 2.78Å
329R98.6Very high98.7Very high207 Ų20767.4 Ų67.478%0.78135%0.346SS*.Hα-helixtrans-56-53.6-169.8-178.4-178.9-176.9179.32.4112.7M333R329-M333 HydrophobicContact CG-SD 3.91Å; R329-M333 VanDerWaalsContact O-CG 3.29Å; R329-M333 WeakPolarHBondContact O-CG 3.28Å; R329-M333 PolarHBondContact O-N 3.38Å; R329-M333 VanDerWaalsContact O-N 3.08Å
330E98.6Very high98.7Very high130 Ų13069.2 Ų69.261%0.60736%0.362SS*.Hα-helixtrans-68.3-46-170.9-69.5-167-173.900113D328 T332 M333 R334D328-E330 PolarHBondContact O-N 3.37Å; E330-T332 VanDerWaalsContact C-N 3.35Å; E330-M333 PolarHBondContact O-N 2.97Å; E330-R334 WeakPolarHBondContact O-CG 3.27Å; E330-R334 PolarHBondContact O-N 2.89Å; E330-R334 VanDerWaalsContact O-N 3.11Å; E330-R334 IonicContact OE2-NH1 2.84Å; E330-R334 PolarHBondContact OE2-NH1 3.27Å; E330-R334 VanDerWaalsContact OE2-NH1 3.08Å
331I98.7Very high98.8Very high38 Ų3864 Ų6420%0.19533%0.328CS..Hα-helixtrans-68.3-37.1-179.4-166.3165.2000111.2V325 P326 D328 M333 R334 E335V325-I331 HydrophobicContact CG1-CG1 4.25Å; V325-I331 HydrophobicContact CG1-CG2 4.2Å; P326-I331 HydrophobicContact CB-CG2 4.14Å; P326-I331 HydrophobicContact CG-CD1 4.18Å; P326-I331 WeakPolarHBondContact O-CG2 3.33Å; D328-I331 HydrophobicContact CB-CG2 3.94Å; D328-I331 WeakPolarHBondContact O-CG2 3.28Å; I331-M333 PolarHBondContact O-N 3.21Å; I331-R334 PolarHBondContact O-N 3.15Å; I331-E335 HydrophobicContact CG1-CG 4.11Å; I331-E335 WeakPolarHBondContact O-CB 3.22Å; I331-E335 PolarHBondContact O-N 3.09Å
332T98.9Very high98.7Very high22 Ų2264.6 Ų64.614%0.13534%0.338CS..Hα-helixtrans-56.5-49.3171-64.90000111D328 E330 R334 E335 L336 R351D328-T332 VanDerWaalsContact O-CB 3.24Å; D328-T332 WeakPolarHBondContact O-CB 3.41Å; D328-T332 PolarHBondContact O-N 3.45Å; D328-T332 PolarHBondContact O-OG1 2.78Å; E330-T332 VanDerWaalsContact C-N 3.35Å; T332-R334 VanDerWaalsContact C-N 3.25Å; T332-R334 PolarHBondContact O-N 3Å; T332-E335 PolarHBondContact O-N 3.28Å; T332-L336 HydrophobicContact CG2-CB 4.22Å; T332-L336 HydrophobicContact CG2-CD2 4.13Å; T332-L336 WeakPolarHBondContact O-CB 3.31Å; T332-L336 PolarHBondContact O-N 3.32Å; T332-R351 HydrophobicContact CG2-CG 4.37Å
333M98.7Very high98.7Very high123 Ų12366.6 Ų66.661%0.60636%0.358SS*.Hα-helixtrans-63.9-29.6-178.9-72.6173.262.900112.9R329 E330 I331 T337R329-M333 HydrophobicContact CG-SD 3.91Å; R329-M333 VanDerWaalsContact O-CG 3.29Å; R329-M333 WeakPolarHBondContact O-CG 3.28Å; R329-M333 PolarHBondContact O-N 3.38Å; R329-M333 VanDerWaalsContact O-N 3.08Å; E330-M333 PolarHBondContact O-N 2.97Å; I331-M333 PolarHBondContact O-N 3.21Å; M333-T337 WeakPolarHBondContact O-CG2 3.46Å
334R98.7Very high98.7Very high145 Ų14565.1 Ų65.155%0.54736%0.356SS..Hα-helixtrans-83.6-38.9179.2-71-171.7-63.1-100.8-0.5113.5E330 I331 T332 A340E330-R334 WeakPolarHBondContact O-CG 3.27Å; E330-R334 PolarHBondContact O-N 2.89Å; E330-R334 VanDerWaalsContact O-N 3.11Å; E330-R334 IonicContact OE2-NH1 2.84Å; E330-R334 PolarHBondContact OE2-NH1 3.27Å; E330-R334 VanDerWaalsContact OE2-NH1 3.08Å; I331-R334 PolarHBondContact O-N 3.15Å; T332-R334 VanDerWaalsContact C-N 3.25Å; T332-R334 PolarHBondContact O-N 3Å; R334-A340 VanDerWaalsContact O-CB 3.27Å; R334-A340 WeakPolarHBondContact O-CB 3.21Å
335E98.8Very high98.7Very high59 Ų5965.4 Ų65.428%0.27636%0.357SS..Hα-helixtrans-111.8-24.1-165.1-60.6-169.5-171.900114.7K323 V325 I331 T332 T337K323-E335 WeakPolarHBondContact CE-OE2 3.48Å; K323-E335 IonicContact NZ-OE2 3.23Å; K323-E335 PolarHBondContact NZ-OE2 2.91Å; V325-E335 HydrophobicContact CG1-CB 4.36Å; V325-E335 HydrophobicContact CG2-CB 4.15Å; I331-E335 HydrophobicContact CG1-CG 4.11Å; I331-E335 WeakPolarHBondContact O-CB 3.22Å; I331-E335 PolarHBondContact O-N 3.09Å; T332-E335 PolarHBondContact O-N 3.28Å; E335-T337 PolarHBondContact O-N 3.19Å
336L98.9Very high98.7Very high7 Ų767.6 Ų67.64%0.03737%0.37CS..SBendtrans-102.249.7-173.2-160.169.1000111.3V325 T332 P348 R351 F365 V367V325-L336 HydrophobicContact CG2-CD1 4.13Å; T332-L336 HydrophobicContact CG2-CB 4.22Å; T332-L336 HydrophobicContact CG2-CD2 4.13Å; T332-L336 WeakPolarHBondContact O-CB 3.31Å; T332-L336 PolarHBondContact O-N 3.32Å; L336-P348 HydrophobicContact CD1-CB 3.84Å; L336-P348 HydrophobicContact CD1-CG 4.1Å; L336-R351 HydrophobicContact CD2-CG 4.04Å; L336-F365 HydrophobicContact CD2-CB 4.11Å; L336-F365 HydrophobicContact CD2-CD1 3.67Å; L336-F365 HydrophobicContact CD2-CG 4.34Å; L336-F365 HydrophobicContact CG-CD1 3.82Å; L336-F365 HydrophobicContact CG-CE1 4.41Å; L336-V367 HydrophobicContact CG-CG2 4.4Å
337T98.9Very high98.7Very high39 Ų3965 Ų6524%0.23935%0.353CS..SBendtrans-138.9154.5-175.472.30000112.4M333 E335 A339 A340 V341M333-T337 WeakPolarHBondContact O-CG2 3.46Å; E335-T337 PolarHBondContact O-N 3.19Å; T337-A339 PolarHBondContact O-N 2.84Å; T337-A339 PolarHBondContact OG1-N 3.46Å; T337-A340 PolarHBondContact O-N 2.78Å; T337-A340 VanDerWaalsContact O-N 3.12Å; T337-A340 PolarHBondContact OG1-N 3.41Å; T337-V341 WeakPolarHBondContact O-CG2 3.49Å; T337-V341 PolarHBondContact O-N 3.44Å
338P98.8Very high98.7Very high41 Ų4162.1 Ų62.127%0.26634%0.338SS..Hα-helixtrans-50.8-36169.3-33.139.1000114.1C293 A340 V341 T342 V367C293-P338 HydrophobicContact CB-CB 3.85Å; C293-P338 HydrophobicContact CB-CG 4.23Å; P338-A340 VanDerWaalsContact C-N 3.31Å; P338-A340 PolarHBondContact O-N 2.73Å; P338-V341 PolarHBondContact O-N 3.37Å; P338-T342 VanDerWaalsContact O-CB 3.3Å; P338-T342 WeakPolarHBondContact O-CB 3.47Å; P338-T342 PolarHBondContact O-N 3.25Å; P338-T342 PolarHBondContact O-OG1 3.41Å; P338-V367 HydrophobicContact CG-CG1 4.48Å
339A98.8Very high98.7Very high95 Ų9557 Ų5779%0.78531%0.31SS*.Hα-helixtrans-64.3-34.5-179.200000112.7T337T337-A339 PolarHBondContact O-N 2.84Å; T337-A339 PolarHBondContact OG1-N 3.46Å
340A98.7Very high98.8Very high46 Ų4647.1 Ų47.138%0.3827%0.273SS..Hα-helixtrans-83.6-23.7179.600000113.9R334 T337 P338R334-A340 VanDerWaalsContact O-CB 3.27Å; R334-A340 WeakPolarHBondContact O-CB 3.21Å; T337-A340 PolarHBondContact O-N 2.78Å; T337-A340 VanDerWaalsContact O-N 3.12Å; T337-A340 PolarHBondContact OG1-N 3.41Å; P338-A340 VanDerWaalsContact C-N 3.31Å; P338-A340 PolarHBondContact O-N 2.73Å
341V98.8Very high98.8Very high3 Ų346.2 Ų46.22%0.01826%0.264CS..Hα-helixtrans-104.7-26-168.3177.80000113.5T337 P338 G343 T344 T346 P348 V367T337-V341 WeakPolarHBondContact O-CG2 3.49Å; T337-V341 PolarHBondContact O-N 3.44Å; P338-V341 PolarHBondContact O-N 3.37Å; V341-G343 PolarHBondContact O-N 2.99Å; V341-T344 WeakPolarHBondContact O-CB 3.5Å; V341-T344 PolarHBondContact O-N 3.36Å; V341-T344 PolarHBondContact O-OG1 3.18Å; V341-T346 VanDerWaalsContact CG1-O 3.28Å; V341-T346 WeakPolarHBondContact CG1-O 3.18Å; V341-P348 HydrophobicContact CG2-CG 3.49Å; V341-P348 VanDerWaalsContact CG2-CG 3.49Å; V341-V367 HydrophobicContact CB-CG1 3.85Å; V341-V367 HydrophobicContact CG1-CG1 4.14Å; V341-V367 HydrophobicContact CG2-CB 4.07Å; V341-V367 HydrophobicContact CG2-CG1 3.86Å
342T98.6Very high98.8Very high64 Ų6444.5 Ų44.539%0.39326%0.255SS..THydrogen-bonded Turntrans-51124.9-178-70.80000111.4R292 C293 P338 T344R292-T342 HydrophobicContact CG-CG2 3.64Å; C293-T342 WeakPolarHBondContact SG-CA 3.33Å; C293-T342 PolarHBondContact SG-N 2.85Å; C293-T342 VanDerWaalsContact SG-N 3.36Å; C293-T342 PolarHBondContact SG-OG1 3.04Å; P338-T342 VanDerWaalsContact O-CB 3.3Å; P338-T342 WeakPolarHBondContact O-CB 3.47Å; P338-T342 PolarHBondContact O-N 3.25Å; P338-T342 PolarHBondContact O-OG1 3.41Å; T342-T344 VanDerWaalsContact C-N 3.29Å; T342-T344 PolarHBondContact O-N 2.9Å
343G98.3Very high98.8Very high45 Ų4547.6 Ų47.646%0.46426%0.264SS..THydrogen-bonded Turntrans79.84.3179.300000114.9V341 D369V341-G343 PolarHBondContact O-N 2.99Å; G343-D369 PolarHBondContact N-OD2 3.4Å
344T98.7Very high98.8Very high49 Ų4944 Ų4430%0.30125%0.245SC..SBendtrans-111.3154.617981.80000111.6V341 T342 T346 L372V341-T344 WeakPolarHBondContact O-CB 3.5Å; V341-T344 PolarHBondContact O-N 3.36Å; V341-T344 PolarHBondContact O-OG1 3.18Å; T342-T344 VanDerWaalsContact C-N 3.29Å; T342-T344 PolarHBondContact O-N 2.9Å; T344-T346 PolarHBondContact O-N 3.08Å; T344-T346 PolarHBondContact OG1-N 3.11Å; T344-T346 PolarHBondContact OG1-OG1 2.74Å; T344-L372 WeakPolarHBondContact O-CD1 3.45Å
345L98.8Very high98.8Very high36 Ų3638.4 Ų38.419%0.18823%0.226CC..SBendtrans-77.6-3.2173.1-73.4169.6000113.8W321 L372 W373 E377W321-L345 WeakPolarHBondContact CB-O 3.46Å; L345-L372 HydrophobicContact CD2-CB 4.02Å; L345-L372 HydrophobicContact CD2-CD1 4.26Å; L345-L372 HydrophobicContact CD2-CD2 4.37Å; L345-L372 HydrophobicContact CD2-CG 4.46Å; L345-L372 HydrophobicContact CG-CD1 4.42Å; L345-W373 PolarHBondContact O-NE1 3.49Å; L345-E377 HydrophobicContact CD2-CB 4.14Å; L345-E377 HydrophobicContact CD2-CG 3.65Å
346T98.7Very high98.8Very high48 Ų4842.4 Ų42.429%0.29425%0.25SC..  trans-69.7135.7-178.7-36.80000110.1K323 V341 T344 P348K323-T346 HydrophobicContact CB-CG2 3.8Å; V341-T346 VanDerWaalsContact CG1-O 3.28Å; V341-T346 WeakPolarHBondContact CG1-O 3.18Å; T344-T346 PolarHBondContact O-N 3.08Å; T344-T346 PolarHBondContact OG1-N 3.11Å; T344-T346 PolarHBondContact OG1-OG1 2.74Å; T346-P348 VanDerWaalsContact C-CD 3.44Å; T346-P348 WeakPolarHBondContact O-CD 3.25Å
347T98.9Very high98.8Very high0 Ų047.5 Ų47.50%028%0.275CS..  trans-120.170.6172.953.90000109.2L159 M162 S163 W321 V367 W373L159-T347 HydrophobicContact CD2-CG2 4.1Å; M162-T347 HydrophobicContact CB-CG2 3.95Å; S163-T347 PolarHBondContact OG-O 2.8Å; W321-T347 PolarHBondContact O-N 2.82Å; W321-T347 PolarHBondContact O-OG1 3.23Å; T347-V367 CarbonylContact C-O 3.57Å; T347-V367 WeakPolarHBondContact CA-O 3.42Å; T347-W373 HydrophobicContact CG2-CB 4.44Å; T347-W373 HydrophobicContact CG2-CG 4.34Å
348P98.9Very high98.7Very high0 Ų046.6 Ų46.60%027%0.273CS..  trans-65.5144.7-173.128-37.7000112.5K323 V325 L336 V341 T346 T366 V367K323-P348 HydrophobicContact CB-CB 4.42Å; K323-P348 CarbonylContact O-C 3.51Å; K323-P348 WeakPolarHBondContact O-CA 3.38Å; V325-P348 HydrophobicContact CG2-CB 3.86Å; L336-P348 HydrophobicContact CD1-CB 3.84Å; L336-P348 HydrophobicContact CD1-CG 4.1Å; V341-P348 HydrophobicContact CG2-CG 3.49Å; V341-P348 VanDerWaalsContact CG2-CG 3.49Å; T346-P348 VanDerWaalsContact C-CD 3.44Å; T346-P348 WeakPolarHBondContact O-CD 3.25Å; P348-T366 VanDerWaalsContact O-CA 3.27Å; P348-T366 WeakPolarHBondContact O-CA 3.38Å; P348-V367 WeakPolarHBondContact CD-O 3.45Å; P348-V367 HydrophobicContact CG-CB 4.34Å; P348-V367 PolarHBondContact O-N 3.21Å; P348-V367 VanDerWaalsContact O-N 3.15Å
349V98.9Very high98.7Very high0 Ų048 Ų480%028%0.282CS..EExtended strand (participates in β ladder)trans-124.7132174.258.40000109.2L164 L315 K323 V324 V325 L352 A364 F365 T366L164-V349 HydrophobicContact CD2-CG2 4.03Å; L315-V349 HydrophobicContact CD1-CG1 4.21Å; L315-V349 HydrophobicContact CD1-CG2 4.31Å; K323-V349 PolarHBondContact O-N 3.08Å; V324-V349 CarbonylContact C-O 3.53Å; V324-V349 WeakPolarHBondContact CA-O 3.47Å; V324-V349 HydrophobicContact CG2-CG1 3.92Å; V325-V349 PolarHBondContact N-O 3.46Å; V349-L352 HydrophobicContact CG2-CD2 4.04Å; V349-L352 HydrophobicContact CG2-CG 4.4Å; V349-A364 HydrophobicContact CG2-CB 4.31Å; V349-F365 WeakPolarHBondContact CA-O 3.37Å; V349-T366 HydrophobicContact CB-CG2 3.88Å; V349-T366 HydrophobicContact CG2-CG2 3.74Å
350G98.9Very high98.7Very high0 Ų046.7 Ų46.70%026%0.26CS..EExtended strand (participates in β ladder)trans-149.4-164.7177.400000111.3L352 F365G350-L352 PolarHBondContact O-N 3.33Å; G350-L352 VanDerWaalsContact O-N 3.17Å; G350-F365 PolarHBondContact N-O 3.01Å; G350-F365 PolarHBondContact O-N 3.18Å
351R98.8Very high98.8Very high110 Ų11046.8 Ų46.842%0.41525%0.252SS..EExtended strand (participates in β ladder)trans55.629.5-174.8-53.7-55.4-51.5-69.2-1.7113.1N327 T332 L336 R353 S363 F365N327-R351 WeakPolarHBondContact OD1-CA 3.28Å; N327-R351 PolarHBondContact OD1-NE 2.97Å; N327-R351 VanDerWaalsContact OD1-NE 3.09Å; T332-R351 HydrophobicContact CG2-CG 4.37Å; L336-R351 HydrophobicContact CD2-CG 4.04Å; R351-R353 PolarHBondContact O-N 3.13Å; R351-S363 PolarHBondContact O-OG 3.47Å; R351-F365 HydrophobicContact CB-CB 4.05Å; R351-F365 HydrophobicContact CG-CB 3.96Å
352L98.9Very high98.8Very high3 Ų346.6 Ų46.62%0.01625%0.251CS..EExtended strand (participates in β ladder)trans-71.3113.3178.3-65170.5000109.3V311 E312 L315 V324 N327 V349 G350 L362 S363 A364V311-L352 HydrophobicContact CG1-CD2 4.3Å; E312-L352 HydrophobicContact CG-CD1 3.79Å; L315-L352 HydrophobicContact CD1-CD1 3.82Å; L315-L352 HydrophobicContact CD1-CD2 3.86Å; V324-L352 HydrophobicContact CG1-CD1 3.9Å; N327-L352 PolarHBondContact ND2-O 2.95Å; V349-L352 HydrophobicContact CG2-CD2 4.04Å; V349-L352 HydrophobicContact CG2-CG 4.4Å; G350-L352 PolarHBondContact O-N 3.33Å; G350-L352 VanDerWaalsContact O-N 3.17Å; L352-L362 HydrophobicContact CD2-CD1 4.32Å; L352-S363 WeakPolarHBondContact CA-O 3.31Å; L352-A364 HydrophobicContact CD2-CB 3.9Å
353R98.9Very high98.8Very high87 Ų8744.7 Ų44.733%0.32824%0.24SC..EExtended strand (participates in β ladder)trans-160.7157.5175.860.3174.9-71.7-90.70.8110.4R351 N356 S363R351-R353 PolarHBondContact O-N 3.13Å; R353-N356 PolarHBondContact NH2-OD1 2.58Å; R353-S363 PolarHBondContact O-N 3.24Å
354K98.8Very high98.8Very high46 Ų4642.6 Ų42.620%0.222%0.218CC..EExtended strand (participates in β ladder)trans-68.2138.8166-54.9-51.7-174.568.40109.9D305 V306 I308 P359 F361D305-K354 IonicContact OD1-NZ 3.56Å; D305-K354 PolarHBondContact OD1-NZ 3.22Å; V306-K354 WeakPolarHBondContact O-CE 3.41Å; V306-K354 PolarHBondContact O-NZ 2.88Å; I308-K354 HydrophobicContact CD1-CD 3.92Å; I308-K354 HydrophobicContact CD1-CG 4.22Å; I308-K354 HydrophobicContact CG1-CD 4.44Å; I308-K354 HydrophobicContact CG1-CG 4.31Å; K354-P359 VanDerWaalsContact CD-O 3.29Å; K354-P359 WeakPolarHBondContact CD-O 3.41Å; K354-P359 WeakPolarHBondContact CE-O 3.41Å; K354-P359 PolarHBondContact NZ-O 3.29Å; K354-F361 CarbonylContact C-O 3.52Å; K354-F361 VanDerWaalsContact CA-O 3.29Å; K354-F361 WeakPolarHBondContact CA-O 3.44Å
355L98.8Very high98.8Very high29 Ų2942.6 Ų42.615%0.15221%0.214CC..EExtended strand (participates in β ladder)trans-83.5161.3174.9-69.5163.1000110T299 M357 G358 F361T299-L355 HydrophobicContact CG2-CD1 3.81Å; L355-M357 HydrophobicContact CB-CE 3.57Å; L355-M357 HydrophobicContact CB-SD 4.14Å; L355-M357 HydrophobicContact CD1-CE 3.64Å; L355-M357 HydrophobicContact CD2-CE 4.34Å; L355-M357 HydrophobicContact CG-CE 4.04Å; L355-M357 PolarHBondContact O-N 2.93Å; L355-M357 VanDerWaalsContact O-N 3.14Å; L355-G358 PolarHBondContact O-N 3.45Å; L355-F361 HydrophobicContact CB-CB 3.78Å; L355-F361 HydrophobicContact CD1-CB 4.09Å; L355-F361 HydrophobicContact CG-CB 4.42Å; L355-F361 PolarHBondContact N-O 3.12Å
356N98.6Very high98.8Very high143 Ų14340.9 Ų40.977%0.76521%0.205SC*.THydrogen-bonded Turntrans-68.5-14.7-176-62.30.3000112.8R353 G358R353-N356 PolarHBondContact NH2-OD1 2.58Å; N356-G358 PolarHBondContact O-N 3.4Å
357M98.6Very high98.8Very high114 Ų11438.6 Ų38.656%0.56219%0.191SC*.THydrogen-bonded Turntrans-69-21.5177.9-67.575.881.300113.1T299 L355 F361T299-M357 HydrophobicContact CG2-CE 4.49Å; L355-M357 HydrophobicContact CB-CE 3.57Å; L355-M357 HydrophobicContact CB-SD 4.14Å; L355-M357 HydrophobicContact CD1-CE 3.64Å; L355-M357 HydrophobicContact CD2-CE 4.34Å; L355-M357 HydrophobicContact CG-CE 4.04Å; L355-M357 PolarHBondContact O-N 2.93Å; L355-M357 VanDerWaalsContact O-N 3.14Å; M357-F361 HydrophobicContact CB-CB 4.32Å; M357-F361 HydrophobicContact CB-CD1 4.15Å; M357-F361 HydrophobicContact CB-CD2 3.63Å; M357-F361 HydrophobicContact CB-CE1 4.35Å; M357-F361 HydrophobicContact CB-CE2 3.87Å; M357-F361 HydrophobicContact CB-CG 3.78Å; M357-F361 HydrophobicContact CB-CZ 4.22Å; M357-F361 HydrophobicContact CE-CD1 4.48Å
358G98.5Very high98.8Very high20 Ų2038.6 Ų38.621%0.20619%0.191CC..EExtended strand (participates in β ladder)trans150.8171.1176.700000113.4L355 N356 E360 F361L355-G358 PolarHBondContact O-N 3.45Å; N356-G358 PolarHBondContact O-N 3.4Å; G358-E360 PolarHBondContact O-N 3.04Å; G358-F361 PolarHBondContact O-N 3.2Å; G358-F361 VanDerWaalsContact O-N 3.1Å
359P98.6Very high98.8Very high71 Ų7138.7 Ų38.746%0.46119%0.192SC..EExtended strand (participates in β ladder)trans-68.1-16.3-175.128.8-36.1000113.8D305 K354D305-P359 HydrophobicContact CB-CB 4.24Å; D305-P359 WeakPolarHBondContact OD2-CB 3.3Å; K354-P359 VanDerWaalsContact CD-O 3.29Å; K354-P359 WeakPolarHBondContact CD-O 3.41Å; K354-P359 WeakPolarHBondContact CE-O 3.41Å; K354-P359 PolarHBondContact NZ-O 3.29Å
360E98.8Very high98.8Very high67 Ų6739.5 Ų39.531%0.31320%0.196SC..EExtended strand (participates in β ladder)trans-89.2-0.8176-59.4-173.7147.400113.3K301 L302 G358K301-E360 HydrophobicContact CD-CB 4.1Å; K301-E360 WeakPolarHBondContact CE-OE2 3.4Å; K301-E360 IonicContact NZ-OE2 3.95Å; L302-E360 PolarHBondContact N-O 3.02Å; G358-E360 PolarHBondContact O-N 3.04Å
361F98.9Very high98.8Very high47 Ų4739.8 Ų39.821%0.20620%0.197CC..EExtended strand (participates in β ladder)trans-102.8115.3179-67.6-93.8000109.9W175 T299 I300 K301 K354 L355 M357 G358W175-F361 HydrophobicContact CH2-CD1 4.4Å; W175-F361 HydrophobicContact CH2-CE1 4.07Å; W175-F361 HydrophobicContact CZ2-CD1 4.46Å; W175-F361 AromaticContact CZ2-CE1 3.79Å; W175-F361 HydrophobicContact CZ2-CE1 3.79Å; T299-F361 HydrophobicContact CG2-CD1 4.46Å; I300-F361 CarbonylContact O-C 3.51Å; I300-F361 WeakPolarHBondContact O-CA 3.32Å; K301-F361 HydrophobicContact CD-CD1 4.29Å; K301-F361 HydrophobicContact CD-CD2 4.46Å; K301-F361 HydrophobicContact CD-CE1 3.97Å; K301-F361 HydrophobicContact CD-CE2 4.14Å; K301-F361 HydrophobicContact CD-CZ 3.89Å; K354-F361 CarbonylContact C-O 3.52Å; K354-F361 VanDerWaalsContact CA-O 3.29Å; K354-F361 WeakPolarHBondContact CA-O 3.44Å; L355-F361 HydrophobicContact CB-CB 3.78Å; L355-F361 HydrophobicContact CD1-CB 4.09Å; L355-F361 HydrophobicContact CG-CB 4.42Å; L355-F361 PolarHBondContact N-O 3.12Å; M357-F361 HydrophobicContact CB-CB 4.32Å; M357-F361 HydrophobicContact CB-CD1 4.15Å; M357-F361 HydrophobicContact CB-CD2 3.63Å; M357-F361 HydrophobicContact CB-CE1 4.35Å; M357-F361 HydrophobicContact CB-CE2 3.87Å; M357-F361 HydrophobicContact CB-CG 3.78Å; M357-F361 HydrophobicContact CB-CZ 4.22Å; M357-F361 HydrophobicContact CE-CD1 4.48Å; G358-F361 PolarHBondContact O-N 3.2Å; G358-F361 VanDerWaalsContact O-N 3.1Å
362L98.9Very high98.8Very high0 Ų034.9 Ų34.90%018%0.179CC..EExtended strand (participates in β ladder)trans-104.8130.8179.8175.369.5000110.4L167 I300 L302 I308 V311 L352L167-L362 HydrophobicContact CD1-CD2 3.65Å; I300-L362 HydrophobicContact CB-CB 4.2Å; I300-L362 HydrophobicContact CD1-CD2 4.15Å; I300-L362 PolarHBondContact N-O 3.41Å; I300-L362 PolarHBondContact O-N 3.14Å; L302-L362 HydrophobicContact CD1-CB 4.16Å; L302-L362 HydrophobicContact CD2-CD2 4.38Å; L302-L362 HydrophobicContact CG-CB 4.26Å; I308-L362 HydrophobicContact CD1-CD1 3.76Å; V311-L362 HydrophobicContact CG1-CD1 4.25Å; V311-L362 HydrophobicContact CG1-CD2 3.81Å; V311-L362 HydrophobicContact CG2-CD2 4.49Å; L352-L362 HydrophobicContact CD2-CD1 4.32Å
363S98.9Very high98.8Very high23 Ų2334.9 Ų34.916%0.16118%0.179CC..EExtended strand (participates in β ladder)trans-86.9139.7165.5175.50000109.4R351 L352 R353R351-S363 PolarHBondContact O-OG 3.47Å; L352-S363 WeakPolarHBondContact CA-O 3.31Å; R353-S363 PolarHBondContact O-N 3.24Å
364A98.9Very high98.8Very high2 Ų231 Ų312%0.01717%0.166CC..EExtended strand (participates in β ladder)trans-144.4152.4166.400000110.4L164 F298 I300 V349 L352L164-A364 HydrophobicContact CD2-CB 4.22Å; F298-A364 HydrophobicContact CB-CB 4.31Å; F298-A364 HydrophobicContact CD2-CB 4.08Å; F298-A364 PolarHBondContact N-O 3.35Å; F298-A364 PolarHBondContact O-N 3.44Å; I300-A364 HydrophobicContact CD1-CB 4.05Å; V349-A364 HydrophobicContact CG2-CB 4.31Å; L352-A364 HydrophobicContact CD2-CB 3.9Å
365F99Very high98.7Very high49 Ų4929.4 Ų29.422%0.21516%0.161CC..EExtended strand (participates in β ladder)trans-133.2131.4167.7-171.3-88000109.1Y181 S295 Q296 A297 L336 V349 G350 R351 V367Y181-F365 HydrophobicContact CD2-CE2 4.17Å; Y181-F365 AromaticContact CE2-CE2 3.94Å; Y181-F365 HydrophobicContact CE2-CE2 3.94Å; S295-F365 VanDerWaalsContact CB-CZ 3.47Å; Q296-F365 CarbonylContact O-C 3.06Å; Q296-F365 VanDerWaalsContact O-CA 3.28Å; Q296-F365 WeakPolarHBondContact O-CA 3.45Å; A297-F365 HydrophobicContact CB-CD2 3.87Å; A297-F365 HydrophobicContact CB-CE2 4.29Å; L336-F365 HydrophobicContact CD2-CB 4.11Å; L336-F365 HydrophobicContact CD2-CD1 3.67Å; L336-F365 HydrophobicContact CD2-CG 4.34Å; L336-F365 HydrophobicContact CG-CD1 3.82Å; L336-F365 HydrophobicContact CG-CE1 4.41Å; V349-F365 WeakPolarHBondContact CA-O 3.37Å; G350-F365 PolarHBondContact N-O 3.01Å; G350-F365 PolarHBondContact O-N 3.18Å; R351-F365 HydrophobicContact CB-CB 4.05Å; R351-F365 HydrophobicContact CG-CB 3.96Å; F365-V367 HydrophobicContact CD1-CG2 4.34Å; F365-V367 HydrophobicContact CE1-CG2 3.77Å
366T98.9Very high98.7Very high0 Ų028 Ų280%015%0.154CC..EExtended strand (participates in β ladder)trans-126.5157.6-178.472.90000111.4L164 S295 Q296 F298 P348 V349L164-T366 HydrophobicContact CD2-CG2 4.29Å; S295-T366 CarbonylContact C-O 3.59Å; S295-T366 WeakPolarHBondContact CA-O 3.49Å; S295-T366 WeakPolarHBondContact CB-O 3.48Å; Q296-T366 PolarHBondContact N-O 3.44Å; Q296-T366 PolarHBondContact O-N 2.92Å; F298-T366 HydrophobicContact CD2-CG2 4.31Å; F298-T366 HydrophobicContact CE2-CG2 3.58Å; F298-T366 WeakPolarHBondContact CE2-OG1 3.39Å; F298-T366 HydrophobicContact CZ-CG2 4.42Å; P348-T366 VanDerWaalsContact O-CA 3.27Å; P348-T366 WeakPolarHBondContact O-CA 3.38Å; V349-T366 HydrophobicContact CB-CG2 3.88Å; V349-T366 HydrophobicContact CG2-CG2 3.74Å
367V98.9Very high98.7Very high0 Ų021.2 Ų21.20%012%0.118CC..EExtended strand (participates in β ladder)trans-135.3142.7170.9-174.80000108.4C293 H294 L336 P338 V341 T347 P348 F365C293-V367 HydrophobicContact CB-CG1 3.92Å; H294-V367 WeakPolarHBondContact O-CA 3.26Å; L336-V367 HydrophobicContact CG-CG2 4.4Å; P338-V367 HydrophobicContact CG-CG1 4.48Å; V341-V367 HydrophobicContact CB-CG1 3.85Å; V341-V367 HydrophobicContact CG1-CG1 4.14Å; V341-V367 HydrophobicContact CG2-CB 4.07Å; V341-V367 HydrophobicContact CG2-CG1 3.86Å; T347-V367 CarbonylContact C-O 3.57Å; T347-V367 WeakPolarHBondContact CA-O 3.42Å; P348-V367 WeakPolarHBondContact CD-O 3.45Å; P348-V367 HydrophobicContact CG-CB 4.34Å; P348-V367 PolarHBondContact O-N 3.21Å; P348-V367 VanDerWaalsContact O-N 3.15Å; F365-V367 HydrophobicContact CD1-CG2 4.34Å; F365-V367 HydrophobicContact CE1-CG2 3.77Å
368G98.8Very high98.8Very high0 Ų016 Ų160%09%0.092CC..EExtended strand (participates in β ladder)trans-155.9149.4175.300000112.8L159 C293 H294 Q370L159-G368 WeakPolarHBondContact CD1-O 3.28Å; C293-G368 CarbonylContact C-O 3.52Å; C293-G368 VanDerWaalsContact CA-O 3.23Å; C293-G368 WeakPolarHBondContact CA-O 3.43Å; H294-G368 PolarHBondContact N-O 3.49Å; H294-G368 PolarHBondContact O-N 3.02Å; G368-Q370 PolarHBondContact O-N 3.03Å
369D98.8Very high98.8Very high2 Ų215 Ų151%0.0118%0.082CC..EExtended strand (participates in β ladder)trans-74.9118.9177.8-167.5-74.8000111.4R292 G343 L371 L372 G374R292-D369 IonicContact CZ-OD1 2.88Å; R292-D369 IonicContact CZ-OD2 2.67Å; R292-D369 VanDerWaalsContact CZ-OD2 3.27Å; R292-D369 VanDerWaalsContact NE-CG 3.33Å; R292-D369 IonicContact NE-OD1 3.54Å; R292-D369 PolarHBondContact NE-OD1 3.12Å; R292-D369 IonicContact NE-OD2 3Å; R292-D369 PolarHBondContact NE-OD2 3.5Å; R292-D369 VanDerWaalsContact NH2-CG 3.31Å; R292-D369 IonicContact NH2-OD1 3.67Å; R292-D369 PolarHBondContact NH2-OD1 3.21Å; R292-D369 IonicContact NH2-OD2 3.11Å; R292-D369 PolarHBondContact NH2-OD2 2.92Å; G343-D369 PolarHBondContact N-OD2 3.4Å; D369-L371 VanDerWaalsContact C-N 3.29Å; D369-L371 PolarHBondContact O-N 3.33Å; D369-L371 PolarHBondContact OD1-N 3.22Å; D369-L372 HydrophobicContact CB-CB 4.26Å; D369-L372 HydrophobicContact CB-CD1 4.09Å; D369-L372 HydrophobicContact CB-CG 4.39Å; D369-L372 PolarHBondContact O-N 2.83Å; D369-L372 PolarHBondContact OD1-N 3Å; D369-G374 PolarHBondContact O-N 3.21Å
370Q98.6Very high98.8Very high17 Ų1712.2 Ų12.28%0.0796%0.062CC..THydrogen-bonded Turntrans-67-27.7-174.6-176.3-83.6-38.700113C155 S185 R292 H294 G368 G374 A375C155-Q370 HydrophobicContact CB-CG 3.62Å; S185-Q370 PolarHBondContact OG-OE1 3.5Å; R292-Q370 WeakPolarHBondContact O-CB 3.44Å; R292-Q370 PolarHBondContact O-N 3.28Å; H294-Q370 WeakPolarHBondContact NE2-CG 3.35Å; G368-Q370 PolarHBondContact O-N 3.03Å; Q370-G374 CarbonylContact O-C 3.57Å; Q370-G374 WeakPolarHBondContact O-CA 3.44Å; Q370-A375 PolarHBondContact O-N 3.12Å
371L98.5Very high98.8Very high5 Ų511.9 Ų11.93%0.0266%0.058CC..THydrogen-bonded Turntrans-89.2-16.5-176.8-63.2174.4000112.8M32 V33 V36 R292 D369 A376M32-L371 HydrophobicContact CE-CD2 3.9Å; M32-L371 HydrophobicContact CG-CD1 3.99Å; M32-L371 HydrophobicContact CG-CD2 4.05Å; M32-L371 HydrophobicContact SD-CD1 4.15Å; M32-L371 HydrophobicContact SD-CD2 4.25Å; V33-L371 HydrophobicContact CG2-CD2 4.1Å; V36-L371 HydrophobicContact CG1-CB 4.35Å; V36-L371 HydrophobicContact CG2-CB 4.09Å; V36-L371 HydrophobicContact CG2-CD1 4.21Å; R292-L371 HydrophobicContact CB-CD1 4.34Å; D369-L371 VanDerWaalsContact C-N 3.29Å; D369-L371 PolarHBondContact O-N 3.33Å; D369-L371 PolarHBondContact OD1-N 3.22Å; L371-A376 VanDerWaalsContact O-CB 3.28Å; L371-A376 WeakPolarHBondContact O-CB 3.3Å; L371-A376 PolarHBondContact O-N 3.37Å; L371-A376 VanDerWaalsContact O-N 3.11Å
372L98.8Very high98.8Very high8 Ų89.7 Ų9.74%0.0425%0.049CC..Iπ-helixtrans-91.2-99.4175.6-66.7170.8000110.8V36 R40 T344 L345 D369 G374 A375 A376 E377V36-L372 HydrophobicContact CG1-CD2 3.7Å; V36-L372 HydrophobicContact CG1-CG 4.44Å; R40-L372 HydrophobicContact CG-CD2 3.78Å; T344-L372 WeakPolarHBondContact O-CD1 3.45Å; L345-L372 HydrophobicContact CD2-CB 4.02Å; L345-L372 HydrophobicContact CD2-CD1 4.26Å; L345-L372 HydrophobicContact CD2-CD2 4.37Å; L345-L372 HydrophobicContact CD2-CG 4.46Å; L345-L372 HydrophobicContact CG-CD1 4.42Å; D369-L372 HydrophobicContact CB-CB 4.26Å; D369-L372 HydrophobicContact CB-CD1 4.09Å; D369-L372 HydrophobicContact CB-CG 4.39Å; D369-L372 PolarHBondContact O-N 2.83Å; D369-L372 PolarHBondContact OD1-N 3Å; L372-G374 PolarHBondContact O-N 3.06Å; L372-A375 CarbonylContact O-C 3.56Å; L372-A375 PolarHBondContact O-N 3.03Å; L372-A376 PolarHBondContact O-N 3.25Å; L372-E377 PolarHBondContact O-N 3.08Å
373W98.8Very high98.8Very high2 Ų29.9 Ų9.91%0.0085%0.05CC..Iπ-helixtrans-61-25.1178.7-78.2119.6000113.6L131 P133 S158 L159 M162 W321 L345 T347 A375 E377 P378L131-W373 HydrophobicContact CD1-CE3 4.12Å; L131-W373 HydrophobicContact CD1-CZ3 4.39Å; P133-W373 HydrophobicContact CG-CH2 3.47Å; P133-W373 VanDerWaalsContact CG-CH2 3.47Å; P133-W373 HydrophobicContact CG-CZ2 4.31Å; P133-W373 HydrophobicContact CG-CZ3 3.8Å; S158-W373 WeakPolarHBondContact CB-O 3.29Å; L159-W373 HydrophobicContact CD2-CB 3.68Å; M162-W373 HydrophobicContact CE-CD2 3.78Å; M162-W373 HydrophobicContact CE-CE3 4.13Å; M162-W373 HydrophobicContact CE-CG 4.3Å; M162-W373 HydrophobicContact CE-CH2 4.08Å; M162-W373 HydrophobicContact CE-CZ2 3.73Å; M162-W373 HydrophobicContact CE-CZ3 4.27Å; M162-W373 HydrophobicContact CG-CB 4.3Å; M162-W373 HydrophobicContact CG-CD2 4.18Å; M162-W373 HydrophobicContact CG-CE3 4.28Å; M162-W373 HydrophobicContact CG-CG 4.19Å; M162-W373 HydrophobicContact SD-CD2 4.09Å; M162-W373 HydrophobicContact SD-CE3 3.93Å; M162-W373 HydrophobicContact SD-CH2 4.44Å; M162-W373 HydrophobicContact SD-CZ3 4.11Å; W321-W373 AromaticContact CD1-NE1 3.81Å; W321-W373 AromaticContact CD2-CE2 3.99Å; W321-W373 HydrophobicContact CD2-CH2 4.44Å; W321-W373 AromaticContact CD2-CZ2 3.45Å; W321-W373 HydrophobicContact CD2-CZ2 3.45Å; W321-W373 VanDerWaalsContact CD2-CZ2 3.45Å; W321-W373 AromaticContact CD2-NE1 3.99Å; W321-W373 AromaticContact CE2-CZ2 3.53Å; W321-W373 HydrophobicContact CE3-CH2 4.18Å; W321-W373 AromaticContact CE3-CZ2 3.58Å; W321-W373 HydrophobicContact CE3-CZ2 3.58Å; W321-W373 HydrophobicContact CG-CZ2 4.06Å; W321-W373 AromaticContact CG-NE1 3.62Å; W321-W373 HydrophobicContact CH2-CH2 4.04Å; W321-W373 AromaticContact CH2-CZ2 3.83Å; W321-W373 HydrophobicContact CH2-CZ2 3.83Å; W321-W373 HydrophobicContact CZ2-CH2 4.32Å; W321-W373 AromaticContact CZ2-CZ2 3.73Å; W321-W373 HydrophobicContact CZ2-CZ2 3.73Å; W321-W373 AromaticContact CZ3-CH2 3.97Å; W321-W373 HydrophobicContact CZ3-CH2 3.97Å; W321-W373 AromaticContact CZ3-CZ2 3.77Å; W321-W373 HydrophobicContact CZ3-CZ2 3.77Å; L345-W373 PolarHBondContact O-NE1 3.49Å; T347-W373 HydrophobicContact CG2-CB 4.44Å; T347-W373 HydrophobicContact CG2-CG 4.34Å; W373-A375 VanDerWaalsContact C-N 3.31Å; W373-E377 HydrophobicContact CD2-CB 4.15Å; W373-E377 HydrophobicContact CD2-CG 4.12Å; W373-E377 HydrophobicContact CE3-CB 4.03Å; W373-E377 HydrophobicContact CE3-CG 4.08Å; W373-E377 HydrophobicContact CH2-CG 3.97Å; W373-E377 HydrophobicContact CZ2-CG 3.97Å; W373-E377 HydrophobicContact CZ3-CB 4.36Å; W373-E377 HydrophobicContact CZ3-CG 4.01Å; W373-P378 HydrophobicContact CE3-CG 4.17Å
374G98.2Very high98.7Very high6 Ų614.1 Ų14.16%0.0626%0.062CC..Iπ-helixtrans-79.9-4.9173.800000115.3C155 D369 Q370 L372C155-G374 WeakPolarHBondContact CB-O 3.41Å; D369-G374 PolarHBondContact O-N 3.21Å; Q370-G374 CarbonylContact O-C 3.57Å; Q370-G374 WeakPolarHBondContact O-CA 3.44Å; L372-G374 PolarHBondContact O-N 3.06Å
375A98.4Very high98.6Very high12 Ų1217.3 Ų17.310%0.0998%0.077CC..Iπ-helixtrans-155.2-73.8-179.100000114.3V33 Q370 L372 W373 L379V33-A375 HydrophobicContact CG1-CB 3.78Å; V33-A375 HydrophobicContact CG2-CB 4.06Å; Q370-A375 PolarHBondContact O-N 3.12Å; L372-A375 CarbonylContact O-C 3.56Å; L372-A375 PolarHBondContact O-N 3.03Å; W373-A375 VanDerWaalsContact C-N 3.31Å; A375-L379 WeakPolarHBondContact O-CG 3.33Å
376A98.7Very high98.6Very high0 Ų016 Ų160%07%0.072CC..Iπ-helixtrans-80.2-37.3-165.900000114.9V33 V36 L37 L371 L372 L379 R380V33-A376 HydrophobicContact CG1-CB 4.39Å; V36-A376 HydrophobicContact CB-CB 4.41Å; V36-A376 HydrophobicContact CG1-CB 4.05Å; L37-A376 HydrophobicContact CB-CB 3.94Å; L371-A376 VanDerWaalsContact O-CB 3.28Å; L371-A376 WeakPolarHBondContact O-CB 3.3Å; L371-A376 PolarHBondContact O-N 3.37Å; L371-A376 VanDerWaalsContact O-N 3.11Å; L372-A376 PolarHBondContact O-N 3.25Å; A376-L379 PolarHBondContact O-N 3.36Å; A376-R380 PolarHBondContact O-N 2.91Å
377E98.9Very high98.2Very high1 Ų118.9 Ų18.91%0.00510%0.095CC..Hα-helixtrans-64.1-43.3-170.5-16469.6-164.700113R40 L345 L372 W373 L379 R380 R381R40-E377 IonicContact CZ-OE1 3.67Å; R40-E377 IonicContact CZ-OE2 3.27Å; R40-E377 IonicContact NE-OE1 2.83Å; R40-E377 IonicContact NE-OE2 2.68Å; R40-E377 PolarHBondContact NE-OE2 2.97Å; R40-E377 IonicContact NH2-OE1 3.78Å; R40-E377 PolarHBondContact NH2-OE1 2.67Å; R40-E377 IonicContact NH2-OE2 2.77Å; L345-E377 HydrophobicContact CD2-CB 4.14Å; L345-E377 HydrophobicContact CD2-CG 3.65Å; L372-E377 PolarHBondContact O-N 3.08Å; W373-E377 HydrophobicContact CD2-CB 4.15Å; W373-E377 HydrophobicContact CD2-CG 4.12Å; W373-E377 HydrophobicContact CE3-CB 4.03Å; W373-E377 HydrophobicContact CE3-CG 4.08Å; W373-E377 HydrophobicContact CH2-CG 3.97Å; W373-E377 HydrophobicContact CZ2-CG 3.97Å; W373-E377 HydrophobicContact CZ3-CB 4.36Å; W373-E377 HydrophobicContact CZ3-CG 4.01Å; E377-L379 VanDerWaalsContact C-N 3.28Å; E377-L379 PolarHBondContact O-N 3.41Å; E377-R380 PolarHBondContact O-N 3.05Å; E377-R380 IonicContact OE1-CZ 2.84Å; E377-R380 VanDerWaalsContact OE1-CZ 3.32Å; E377-R380 IonicContact OE1-NE 3.79Å; E377-R380 PolarHBondContact OE1-NE 3.42Å; E377-R380 VanDerWaalsContact OE1-NE 3.08Å; E377-R380 IonicContact OE1-NH2 3.32Å; E377-R380 PolarHBondContact OE1-NH2 3.29Å; E377-R380 IonicContact OE2-NE 2.7Å; E377-R381 HydrophobicContact CG-CG 4.33Å; E377-R381 VanDerWaalsContact O-CG 3.29Å; E377-R381 WeakPolarHBondContact O-CG 3.17Å; E377-R381 PolarHBondContact O-N 2.88Å
378P98.9Very high98.1Very high3 Ų319.8 Ų19.82%0.01910%0.1CC..Hα-helixtrans-58.3-38.5175.5-25.635.9000113.1I130 L131 W373 R381 M382I130-P378 HydrophobicContact CD1-CB 4.34Å; I130-P378 HydrophobicContact CG1-CB 4.27Å; L131-P378 HydrophobicContact CD1-CG 4.16Å; W373-P378 HydrophobicContact CE3-CG 4.17Å; P378-R381 PolarHBondContact O-N 3.33Å; P378-M382 WeakPolarHBondContact O-CB 3.36Å; P378-M382 PolarHBondContact O-N 3.38Å
379L98.9Very high98.1Very high0 Ų020.8 Ų20.80%011%0.105CC..Hα-helixtrans-65-46.5-178.7-46-179.4000111.1V90 I115 D116 A117 I130 A375 A376 E377 M382 L383V90-L379 HydrophobicContact CG1-CB 4.23Å; I115-L379 HydrophobicContact CG2-CB 3.79Å; I115-L379 HydrophobicContact CG2-CD2 3.83Å; I115-L379 HydrophobicContact CG2-CG 4.35Å; D116-L379 WeakPolarHBondContact O-CD2 3.43Å; A117-L379 HydrophobicContact CB-CD1 3.81Å; I130-L379 HydrophobicContact CD1-CD2 4.17Å; A375-L379 WeakPolarHBondContact O-CG 3.33Å; A376-L379 PolarHBondContact O-N 3.36Å; E377-L379 VanDerWaalsContact C-N 3.28Å; E377-L379 PolarHBondContact O-N 3.41Å; L379-M382 PolarHBondContact O-N 2.95Å; L379-L383 PolarHBondContact O-N 3.41Å
380R98.8Very high98.1Very high12 Ų1221.9 Ų21.95%0.04511%0.111CC..Hα-helixtrans-60.4-46.2177.5-170.9-168.871.674.2-1.9111.4L37 M41 D46 A376 E377 L383 R384L37-R380 HydrophobicContact CD1-CB 3.7Å; L37-R380 HydrophobicContact CD1-CG 4.36Å; M41-R380 HydrophobicContact CG-CG 3.82Å; D46-R380 IonicContact OD1-NH1 3.87Å; D46-R380 WeakPolarHBondContact OD2-CD 3.37Å; D46-R380 WeakPolarHBondContact OD2-CG 3.46Å; D46-R380 IonicContact OD2-CZ 2.79Å; D46-R380 IonicContact OD2-NE 3.08Å; D46-R380 IonicContact OD2-NH1 3.65Å; D46-R380 PolarHBondContact OD2-NH1 3.01Å; A376-R380 PolarHBondContact O-N 2.91Å; E377-R380 PolarHBondContact O-N 3.05Å; E377-R380 IonicContact OE1-CZ 2.84Å; E377-R380 VanDerWaalsContact OE1-CZ 3.32Å; E377-R380 IonicContact OE1-NE 3.79Å; E377-R380 PolarHBondContact OE1-NE 3.42Å; E377-R380 VanDerWaalsContact OE1-NE 3.08Å; E377-R380 IonicContact OE1-NH2 3.32Å; E377-R380 PolarHBondContact OE1-NH2 3.29Å; E377-R380 IonicContact OE2-NE 2.7Å; R380-L383 WeakPolarHBondContact O-CB 3.32Å; R380-L383 PolarHBondContact O-N 3.03Å; R380-R384 PolarHBondContact O-N 3.4Å
381R98.8Very high98Very high61 Ų6122.2 Ų22.223%0.2311%0.113CC..Hα-helixtrans-67.1-40.1-179.2-67.8178.166.278.34.5111.9D132 E377 P378 R384 Q385D132-R381 VanDerWaalsContact CG-NE 3.3Å; D132-R381 VanDerWaalsContact OD1-CB 3.32Å; D132-R381 WeakPolarHBondContact OD1-CB 3.43Å; D132-R381 WeakPolarHBondContact OD1-CD 3.2Å; D132-R381 IonicContact OD1-CZ 3.81Å; D132-R381 IonicContact OD1-NE 2.7Å; D132-R381 PolarHBondContact OD1-NE 3.2Å; D132-R381 IonicContact OD1-NH2 3.97Å; D132-R381 IonicContact OD2-CZ 3.25Å; D132-R381 VanDerWaalsContact OD2-CZ 3.25Å; D132-R381 IonicContact OD2-NE 2.8Å; D132-R381 PolarHBondContact OD2-NE 2.98Å; D132-R381 IonicContact OD2-NH2 2.68Å; D132-R381 PolarHBondContact OD2-NH2 3.32Å; E377-R381 HydrophobicContact CG-CG 4.33Å; E377-R381 VanDerWaalsContact O-CG 3.29Å; E377-R381 WeakPolarHBondContact O-CG 3.17Å; E377-R381 PolarHBondContact O-N 2.88Å; P378-R381 PolarHBondContact O-N 3.33Å; R381-R384 WeakPolarHBondContact O-CB 3.35Å; R381-R384 PolarHBondContact O-N 3.02Å; R381-Q385 WeakPolarHBondContact O-CG 3.28Å; R381-Q385 PolarHBondContact O-N 2.88Å; R381-Q385 VanDerWaalsContact O-N 3.14Å
382M98.8Very high98Very high1 Ų123.3 Ų23.31%0.00512%0.118CC..Hα-helixtrans-61.6-44.1172.1-175.667.6-149.400111.6I115 I130 I139 L143 F150 P378 L379 R384 Q385 L386I115-M382 HydrophobicContact CD1-CB 4.13Å; I115-M382 HydrophobicContact CD1-CG 3.8Å; I115-M382 HydrophobicContact CG1-CG 4.09Å; I130-M382 HydrophobicContact CD1-CB 3.5Å; I130-M382 HydrophobicContact CD1-CG 3.93Å; I130-M382 HydrophobicContact CG2-CG 4.27Å; I130-M382 HydrophobicContact CG2-SD 3.86Å; I139-M382 HydrophobicContact CG2-CE 3.98Å; I139-M382 HydrophobicContact CG2-SD 3.72Å; L143-M382 HydrophobicContact CD1-CE 4.16Å; L143-M382 HydrophobicContact CD2-CE 4.1Å; L143-M382 HydrophobicContact CG-CE 4.43Å; F150-M382 HydrophobicContact CB-CG 3.99Å; F150-M382 HydrophobicContact CB-SD 4.33Å; F150-M382 HydrophobicContact CD1-CE 3.64Å; F150-M382 HydrophobicContact CD1-SD 3.77Å; F150-M382 HydrophobicContact CD2-CE 3.72Å; F150-M382 HydrophobicContact CE1-CE 3.67Å; F150-M382 HydrophobicContact CE1-SD 4.24Å; F150-M382 HydrophobicContact CE2-CE 3.76Å; F150-M382 HydrophobicContact CG-CE 3.67Å; F150-M382 HydrophobicContact CG-CG 4.15Å; F150-M382 HydrophobicContact CG-SD 3.96Å; F150-M382 HydrophobicContact CZ-CE 3.74Å; P378-M382 WeakPolarHBondContact O-CB 3.36Å; P378-M382 PolarHBondContact O-N 3.38Å; L379-M382 PolarHBondContact O-N 2.95Å; M382-R384 VanDerWaalsContact C-N 3.28Å; M382-R384 PolarHBondContact O-N 2.96Å; M382-Q385 PolarHBondContact O-N 3Å; M382-Q385 VanDerWaalsContact O-N 3.16Å; M382-L386 HydrophobicContact CE-CD1 3.84Å; M382-L386 HydrophobicContact CE-CD2 3.86Å; M382-L386 HydrophobicContact CE-CG 3.82Å; M382-L386 WeakPolarHBondContact O-CG 3.43Å; M382-L386 PolarHBondContact O-N 2.9Å
383L98.6Very high98Very high4 Ų424.3 Ų24.32%0.02112%0.123CC..Hα-helixtrans-57.1-43.8174.1172.363.7000111V24 F26 M41 I50 I88 V90 I115 L379 R380 Q385 L386 A387V24-L383 HydrophobicContact CG1-CD1 3.79Å; V24-L383 HydrophobicContact CG1-CD2 4.24Å; V24-L383 HydrophobicContact CG2-CD1 3.97Å; F26-L383 HydrophobicContact CE1-CD2 4.17Å; F26-L383 HydrophobicContact CZ-CD2 4Å; M41-L383 HydrophobicContact CE-CD2 3.64Å; M41-L383 HydrophobicContact SD-CD2 4.41Å; I50-L383 HydrophobicContact CD1-CD2 4.24Å; I88-L383 HydrophobicContact CD1-CD1 3.79Å; I88-L383 HydrophobicContact CG2-CD1 4.01Å; V90-L383 HydrophobicContact CG2-CB 4.48Å; V90-L383 HydrophobicContact CG2-CD1 4.43Å; V90-L383 HydrophobicContact CG2-CD2 4.26Å; I115-L383 HydrophobicContact CD1-CB 4.07Å; L379-L383 PolarHBondContact O-N 3.41Å; R380-L383 WeakPolarHBondContact O-CB 3.32Å; R380-L383 PolarHBondContact O-N 3.03Å; L383-Q385 PolarHBondContact O-N 2.66Å; L383-L386 PolarHBondContact O-N 2.84Å; L383-A387 WeakPolarHBondContact O-CB 3.49Å; L383-A387 PolarHBondContact O-N 2.63Å
384R97.8Very high97.9Very high112 Ų11225.9 Ų25.942%0.42313%0.131SC..Hα-helixtrans-62.4-29.8179.2-166.272.2-151.5-164.54.1113.5D46 R380 R381 M382 L386D46-R384 VanDerWaalsContact OD1-CD 3.29Å; D46-R384 WeakPolarHBondContact OD1-CD 3.25Å; D46-R384 IonicContact OD1-NH1 3Å; D46-R384 PolarHBondContact OD1-NH1 3Å; R380-R384 PolarHBondContact O-N 3.4Å; R381-R384 WeakPolarHBondContact O-CB 3.35Å; R381-R384 PolarHBondContact O-N 3.02Å; M382-R384 VanDerWaalsContact C-N 3.28Å; M382-R384 PolarHBondContact O-N 2.96Å; R384-L386 VanDerWaalsContact C-N 3.27Å
385Q97.8Very high97.9Very high68 Ų6827.4 Ų27.432%0.31814%0.137SC..Hα-helixtrans-72.7-22.1174.6-66.1-177.739.500112.8D132 Q136 R381 M382 L383D132-Q385 VanDerWaalsContact CB-NE2 3.33Å; Q136-Q385 VanDerWaalsContact OE1-CD 3.31Å; R381-Q385 WeakPolarHBondContact O-CG 3.28Å; R381-Q385 PolarHBondContact O-N 2.88Å; R381-Q385 VanDerWaalsContact O-N 3.14Å; M382-Q385 PolarHBondContact O-N 3Å; M382-Q385 VanDerWaalsContact O-N 3.16Å; L383-Q385 PolarHBondContact O-N 2.66Å
386L97.3Very high97.8Very high22 Ų2228.7 Ų28.712%0.11514%0.14CC..Hα-helixtrans-101.9-21.1-177.5-61.1178.9000114.2I88 Y113 I115 L143 M382 L383 R384I88-L386 HydrophobicContact CD1-CB 3.6Å; I88-L386 HydrophobicContact CD1-CD1 4.21Å; Y113-L386 HydrophobicContact CD1-CD1 3.88Å; Y113-L386 HydrophobicContact CD1-CD2 4.25Å; Y113-L386 HydrophobicContact CD2-CD1 4.02Å; Y113-L386 HydrophobicContact CD2-CD2 4.48Å; Y113-L386 HydrophobicContact CE1-CD1 4.42Å; Y113-L386 HydrophobicContact CE1-CD2 3.95Å; Y113-L386 HydrophobicContact CE2-CD2 4.18Å; Y113-L386 HydrophobicContact CG-CD1 3.63Å; Y113-L386 HydrophobicContact CG-CD2 4.48Å; I115-L386 HydrophobicContact CD1-CD1 4.09Å; L143-L386 HydrophobicContact CD1-CD2 4.32Å; L143-L386 HydrophobicContact CD2-CD2 3.72Å; M382-L386 HydrophobicContact CE-CD1 3.84Å; M382-L386 HydrophobicContact CE-CD2 3.86Å; M382-L386 HydrophobicContact CE-CG 3.82Å; M382-L386 WeakPolarHBondContact O-CG 3.43Å; M382-L386 PolarHBondContact O-N 2.9Å; L383-L386 PolarHBondContact O-N 2.84Å; R384-L386 VanDerWaalsContact C-N 3.27Å
387A90.8Very high97.7Very high60 Ų6031.3 Ų31.350%0.49615%0.152SC..  trans-78.60176.700000110.5I50 L383I50-A387 HydrophobicContact CG2-CB 3.61Å; L383-A387 WeakPolarHBondContact O-CB 3.49Å; L383-A387 PolarHBondContact O-N 2.63Å

Retrieved 387 of 387 residues in 326.4 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).