G4VRF8_SCHMA Loading...

Putative l-lactate dehydrogenase

AlphaFold DB , UniProt , Accession G4VRF8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 327 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M54.3Low80.7Confident242 Ų242129.7 Ų129.7100%1.19277%0.766SS**  0129.30-71.8176.4-163.700107.3S3M1-S3 PolarHBondContact O-N 3.28Å
2T77.1Confident80.7Confident140 Ų140133.5 Ų133.586%0.85977%0.77SS**  trans-58.8126.2163.4330000108
3S82.2Confident80.3Confident80 Ų80131.6 Ų131.656%0.55975%0.754SS**  trans-55141.2174.6176.90000109.7M1 F5M1-S3 PolarHBondContact O-N 3.28Å; S3-F5 WeakPolarHBondContact CB-O 3.38Å; S3-F5 PolarHBondContact O-N 3.33Å; S3-F5 PolarHBondContact OG-N 3.22Å; S3-F5 PolarHBondContact OG-O 3.24Å; S3-F5 VanDerWaalsContact OG-O 3.05Å
4V89.6Confident79.9Confident136 Ų136134.5 Ų134.582%0.82476%0.758SS**SBendtrans-67.2-16.1168.3-65.50000111.8
5F84.8Confident79.5Confident164 Ų164140.2 Ų140.272%0.71977%0.765SS**PPolyproline II helixtrans-99.8129.2176.5-59.1-74000111.1S3S3-F5 WeakPolarHBondContact CB-O 3.38Å; S3-F5 PolarHBondContact O-N 3.33Å; S3-F5 PolarHBondContact OG-N 3.22Å; S3-F5 PolarHBondContact OG-O 3.24Å; S3-F5 VanDerWaalsContact OG-O 3.05Å
6L85.8Confident79.2Confident162 Ų162143.3 Ų143.385%0.84877%0.768SS**PPolyproline II helixtrans-97.4122.6166.4-64.4171.1000108A8L6-A8 PolarHBondContact O-N 3.08Å
7P81.7Confident79.2Confident107 Ų107143.8 Ų143.870%0.69577%0.771SS**PPolyproline II helixtrans-67.6123.1179.727.4-32.6000109.9
8A87.8Confident79.7Confident110 Ų110140.1 Ų140.191%0.90975%0.75SS**  trans-94.2-30.8173.400000112.3L6L6-A8 PolarHBondContact O-N 3.08Å
9A83.9Confident80.6Confident63 Ų63134.4 Ų134.452%0.52172%0.723SS.*SBendtrans-91.3151175.400000110.1I13A9-I13 HydrophobicContact CB-CD1 3.94Å
10S82.8Confident81.4Confident65 Ų65128.8 Ų128.846%0.45569%0.691SS.*  trans-67.4146.8171.864.40000110E12 I13S10-E12 PolarHBondContact O-N 3.05Å; S10-E12 VanDerWaalsContact O-N 3.08Å; S10-I13 PolarHBondContact O-N 3.37Å
11N77.9Confident82.3Confident158 Ų158122.6 Ų122.685%0.84566%0.658SS**THydrogen-bonded Turntrans-66.9-5.4175.2-69.7-20.1000113.2I13N11-I13 VanDerWaalsContact C-N 3.35Å
12E80.1Confident84.4Confident175 Ų175111.1 Ų111.182%0.81860%0.602SS**THydrogen-bonded Turntrans-82.9-12.8177.6-62.9-179.517100112.6S10 E14S10-E12 PolarHBondContact O-N 3.05Å; S10-E12 VanDerWaalsContact O-N 3.08Å; E12-E14 PolarHBondContact O-N 3Å
13I76.3Confident85.4Confident109 Ų109104.4 Ų104.456%0.55956%0.561SS**SBendtrans-74.2112.4176.7-67.9163.6000108.7A9 S10 N11A9-I13 HydrophobicContact CB-CD1 3.94Å; S10-I13 PolarHBondContact O-N 3.37Å; N11-I13 VanDerWaalsContact C-N 3.35Å
14E73.7Confident86.2Confident172 Ų172100.9 Ų100.980%0.80454%0.536SS*.PPolyproline II helixtrans-63.8138.6172.6-69-175.4169.400110.8E12E12-E14 PolarHBondContact O-N 3Å
15Y74.9Confident86.6Confident220 Ų22094.5 Ų94.586%0.86350%0.498SS*.PPolyproline II helixtrans-63.8149.6171.9-68.5-85.9000110.1N17Y15-N17 PolarHBondContact O-N 3.21Å
16K74.8Confident87.1Confident190 Ų19086.7 Ų86.783%0.82646%0.464SS*.PPolyproline II helixtrans-56.8129.9172.1-173-179.5179.2-175.10109.3L18K16-L18 PolarHBondContact O-N 3.27Å
17N79.3Confident87.6Confident151 Ų15180.4 Ų80.481%0.80744%0.438SS*.PPolyproline II helixtrans-57.9123.3175.1-73.8-28.2000110.3Y15Y15-N17 PolarHBondContact O-N 3.21Å
18L88.5Confident88.2Confident77 Ų7777.5 Ų77.540%0.40342%0.423SS..PPolyproline II helixtrans-88.3144.1172.6-65.1174.9000108.5K16 K20 Y70K16-L18 PolarHBondContact O-N 3.27Å; L18-K20 PolarHBondContact O-N 3.41Å; L18-Y70 HydrophobicContact CD1-CE1 3.86Å
19S95.6Very high88.7Confident33 Ų3373.8 Ų73.823%0.23139%0.389CS..PPolyproline II helixtrans-60134.7166.244.80000109.1T41 G42 E43 D86S19-T41 VanDerWaalsContact C-OG1 3.32Å; S19-T41 PolarHBondContact O-OG1 3.34Å; S19-T41 WeakPolarHBondContact OG-CA 3.38Å; S19-T41 PolarHBondContact OG-OG1 2.79Å; S19-G42 CarbonylContact O-C 3.34Å; S19-G42 PolarHBondContact O-N 2.79Å; S19-G42 PolarHBondContact OG-N 3.09Å; S19-E43 PolarHBondContact O-N 3.23Å; S19-D86 VanDerWaalsContact CA-OD2 3.22Å; S19-D86 WeakPolarHBondContact CA-OD2 3.45Å
20K97.6Very high89.4Confident21 Ų2170.8 Ų70.89%0.09136%0.364CS..EExtended strand (participates in β ladder)trans-124.7125.7-176.7-178.9174.2179.1162.60111.2L18 E43 L81 T83 D86 I87L18-K20 PolarHBondContact O-N 3.41Å; K20-E43 WeakPolarHBondContact CA-O 3.24Å; K20-E43 HydrophobicContact CB-CB 4.16Å; K20-E43 HydrophobicContact CD-CG 4.2Å; K20-E43 WeakPolarHBondContact CD-OE1 3.46Å; K20-E43 WeakPolarHBondContact CE-OE1 3.42Å; K20-E43 HydrophobicContact CG-CB 4.07Å; K20-E43 HydrophobicContact CG-CG 4.07Å; K20-E43 IonicContact NZ-OE1 2.79Å; K20-E43 PolarHBondContact NZ-OE1 2.94Å; K20-L81 VanDerWaalsContact CE-O 3.25Å; K20-L81 WeakPolarHBondContact CE-O 3.37Å; K20-L81 PolarHBondContact NZ-O 3.09Å; K20-T83 WeakPolarHBondContact CD-O 3.34Å; K20-T83 WeakPolarHBondContact CE-O 3.35Å; K20-T83 PolarHBondContact NZ-O 3.08Å; K20-D86 PolarHBondContact N-OD2 3.3Å; K20-D86 PolarHBondContact O-N 2.85Å; K20-I87 PolarHBondContact O-N 3.18Å
21I98.6Very high90Very high0 Ų068.9 Ų68.90%035%0.35CS..EExtended strand (participates in β ladder)trans-120123.4175.8-56176.3000109.3L37 T41 E43 I44 A45 I87 V89 C255 I259I21-L37 HydrophobicContact CB-CD1 4.21Å; I21-L37 HydrophobicContact CD1-CD1 4.24Å; I21-L37 HydrophobicContact CD1-CD2 3.85Å; I21-L37 HydrophobicContact CG2-CD1 3.64Å; I21-T41 HydrophobicContact CD1-CG2 4.17Å; I21-T41 HydrophobicContact CG1-CG2 4.37Å; I21-E43 PolarHBondContact N-O 3.46Å; I21-I44 VanDerWaalsContact O-CA 3.28Å; I21-I44 WeakPolarHBondContact O-CA 3.41Å; I21-A45 PolarHBondContact O-N 2.87Å; I21-A45 VanDerWaalsContact O-N 3.09Å; I21-I87 WeakPolarHBondContact CA-O 3.24Å; I21-I87 HydrophobicContact CD1-CD1 4.12Å; I21-I87 HydrophobicContact CG1-CB 4.2Å; I21-I87 HydrophobicContact CG1-CD1 4.21Å; I21-I87 HydrophobicContact CG2-CB 4.21Å; I21-V89 HydrophobicContact CG2-CG2 4Å; I21-C255 HydrophobicContact CD1-CB 3.87Å; I21-I259 HydrophobicContact CD1-CG1 4.33Å
22S98.8Very high91Very high0 Ų061.5 Ų61.50%031%0.31CS..EExtended strand (participates in β ladder)trans-96.7134.3171.7-68.10000110.9A45 T82 S85 I87 V88 V89S22-A45 CarbonylContact C-O 3.48Å; S22-A45 VanDerWaalsContact CA-O 3.28Å; S22-A45 WeakPolarHBondContact CA-O 3.37Å; S22-T82 WeakPolarHBondContact OG-CA 3.28Å; S22-T82 WeakPolarHBondContact OG-CB 3.25Å; S22-S85 PolarHBondContact OG-OG 2.87Å; S22-I87 PolarHBondContact N-O 3.41Å; S22-V88 CarbonylContact O-C 3.5Å; S22-V88 WeakPolarHBondContact O-CA 3.39Å; S22-V89 PolarHBondContact O-N 3.4Å
23V98.8Very high91.9Very high0 Ų053.1 Ų53.10%027%0.271CS..EExtended strand (participates in β ladder)trans-112.4117.7173.6-176.70000108.6I33 L37 A45 L46 I47 T91V23-I33 HydrophobicContact CG2-CG2 4.01Å; V23-L37 HydrophobicContact CG2-CD1 3.99Å; V23-A45 PolarHBondContact N-O 3.07Å; V23-L46 HydrophobicContact CB-CD1 3.98Å; V23-L46 HydrophobicContact CG1-CD1 4.11Å; V23-I47 PolarHBondContact O-N 2.81Å; V23-T91 HydrophobicContact CG1-CG2 4.33Å
24V98.7Very high92.9Very high5 Ų548 Ų483%0.0325%0.245CC..EExtended strand (participates in β ladder)trans-102119.1-178.3-170.20000108.8I47 V88 V89 T91 A92 I115 L119V24-I47 HydrophobicContact CG1-CB 4.45Å; V24-I47 HydrophobicContact CG2-CB 4.49Å; V24-V88 HydrophobicContact CG2-CG1 3.95Å; V24-V89 PolarHBondContact N-O 3.31Å; V24-T91 CarbonylContact O-C 3.26Å; V24-T91 WeakPolarHBondContact O-CA 3.42Å; V24-T91 PolarHBondContact O-N 3.49Å; V24-T91 PolarHBondContact O-OG1 3.42Å; V24-A92 HydrophobicContact CG1-CB 4.03Å; V24-A92 PolarHBondContact O-N 3.34Å; V24-I115 HydrophobicContact CG1-CD1 4.24Å; V24-L119 HydrophobicContact CG2-CD1 3.91Å; V24-L119 HydrophobicContact CG2-CD2 3.6Å; V24-L119 HydrophobicContact CG2-CG 4.41Å
25G97.7Very high94Very high3 Ų345.9 Ų45.93%0.03123%0.233CC..  trans100.5121-168.400000111G30 I47 T91G25-G30 WeakPolarHBondContact O-CA 3.23Å; G25-I47 PolarHBondContact N-O 3.12Å; G25-T91 PolarHBondContact O-OG1 2.93Å
26C96.2Very high95.1Very high0 Ų036.5 Ų36.50%020%0.2CC..  trans-104.531.7179.9-171.30000110.5L46 D48 K53 V54C26-L46 HydrophobicContact CB-CD1 4.36Å; C26-L46 HydrophobicContact CB-CD2 4.4Å; C26-L46 HydrophobicContact CB-CG 4.31Å; C26-D48 HydrophobicContact CB-CB 3.49Å; C26-D48 VanDerWaalsContact CB-CB 3.49Å; C26-D48 PolarHBondContact N-OD2 3.35Å; C26-K53 WeakPolarHBondContact O-CD 3.18Å; C26-K53 WeakPolarHBondContact O-CE 3.45Å; C26-K53 PolarHBondContact O-NZ 2.9Å; C26-V54 HydrophobicContact CB-CG2 3.9Å
27G95.4Very high96.1Very high30 Ų3027.5 Ų27.531%0.30916%0.161SC..SBendtrans-75.8-179.7171.400000112.2V29 G30 T31G27-V29 PolarHBondContact O-N 2.69Å; G27-V29 VanDerWaalsContact O-N 3.14Å; G27-G30 PolarHBondContact O-N 2.88Å; G27-G30 VanDerWaalsContact O-N 3.08Å; G27-T31 WeakPolarHBondContact O-CG2 3.43Å; G27-T31 PolarHBondContact O-N 3.41Å; G27-T31 PolarHBondContact O-OG1 2.67Å
28A95.8Very high96.8Very high46 Ų4621 Ų2138%0.3813%0.126SC..Hα-helixtrans-57-30.5178.100000113.7S32 S244A28-S32 VanDerWaalsContact O-CB 3.28Å; A28-S32 WeakPolarHBondContact O-CB 3.39Å; A28-S32 PolarHBondContact O-N 2.65Å; A28-S244 VanDerWaalsContact O-CB 3.3Å; A28-S244 WeakPolarHBondContact O-CB 3.47Å
29V97.2Very high97Very high32 Ų3222.7 Ų22.719%0.19414%0.136CC..Hα-helixtrans-69.3-53.1173.6174.30000110.4G27 T31 S32 I33 T91 V131 N243 I247G27-V29 PolarHBondContact O-N 2.69Å; G27-V29 VanDerWaalsContact O-N 3.14Å; V29-T31 PolarHBondContact O-N 3.19Å; V29-S32 PolarHBondContact O-N 2.9Å; V29-I33 HydrophobicContact CG1-CD1 3.73Å; V29-I33 WeakPolarHBondContact O-CG1 3.25Å; V29-I33 PolarHBondContact O-N 2.95Å; V29-T91 HydrophobicContact CG1-CG2 3.94Å; V29-V131 HydrophobicContact CG1-CG1 3.85Å; V29-N243 WeakPolarHBondContact CG2-O 3.3Å; V29-I247 HydrophobicContact CG1-CG1 4.43Å; V29-I247 HydrophobicContact CG1-CG2 3.89Å; V29-I247 HydrophobicContact CG2-CG2 4.3Å
30G98Very high96.9Very high0 Ų022.1 Ų22.10%013%0.13CC..Hα-helixtrans-62.9-42.3-177.800000113.6G25 G27 I33 A34G25-G30 WeakPolarHBondContact O-CA 3.23Å; G27-G30 PolarHBondContact O-N 2.88Å; G27-G30 VanDerWaalsContact O-N 3.08Å; G30-I33 PolarHBondContact O-N 3.13Å; G30-A34 WeakPolarHBondContact O-CB 3.37Å; G30-A34 PolarHBondContact O-N 3.48Å
31T97.4Very high96.8Very high25 Ų2521.4 Ų21.415%0.15313%0.127CC..Hα-helixtrans-68.1-37.7177.859.40000111.7G27 V29 I33 A34 F35 E57G27-T31 WeakPolarHBondContact O-CG2 3.43Å; G27-T31 PolarHBondContact O-N 3.41Å; G27-T31 PolarHBondContact O-OG1 2.67Å; V29-T31 PolarHBondContact O-N 3.19Å; T31-I33 VanDerWaalsContact C-N 3.33Å; T31-I33 PolarHBondContact O-N 3.48Å; T31-A34 PolarHBondContact O-N 2.82Å; T31-F35 WeakPolarHBondContact O-CB 3.37Å; T31-F35 PolarHBondContact O-N 2.81Å; T31-E57 HydrophobicContact CG2-CB 4.41Å; T31-E57 VanDerWaalsContact CG2-CD 3.4Å; T31-E57 HydrophobicContact CG2-CG 3.87Å; T31-E57 WeakPolarHBondContact CG2-OE2 3.22Å
32S98Very high96.6Very high2 Ų221.8 Ų21.81%0.01413%0.131CC..Hα-helixtrans-65.7-35173.2-173.80000112.9A28 V29 S36 S244 W245A28-S32 VanDerWaalsContact O-CB 3.28Å; A28-S32 WeakPolarHBondContact O-CB 3.39Å; A28-S32 PolarHBondContact O-N 2.65Å; V29-S32 PolarHBondContact O-N 2.9Å; S32-S36 WeakPolarHBondContact O-CB 3.37Å; S32-S36 PolarHBondContact O-N 3.39Å; S32-S36 VanDerWaalsContact O-N 3.1Å; S32-S36 PolarHBondContact O-OG 3.46Å; S32-S244 WeakPolarHBondContact CB-O 3.47Å; S32-S244 VanDerWaalsContact OG-C 3.27Å; S32-S244 PolarHBondContact OG-O 3.2Å; S32-W245 WeakPolarHBondContact OG-CA 3.14Å; S32-W245 VanDerWaalsContact OG-CE3 3.31Å
33I98.4Very high96.5Very high0 Ų023 Ų230%014%0.136CC..Hα-helixtrans-67.5-52.1173.4-69.9163.8000109.2V23 V29 G30 T31 F35 S36 L37 V89 T91 V131 C251V23-I33 HydrophobicContact CG2-CG2 4.01Å; V29-I33 HydrophobicContact CG1-CD1 3.73Å; V29-I33 WeakPolarHBondContact O-CG1 3.25Å; V29-I33 PolarHBondContact O-N 2.95Å; G30-I33 PolarHBondContact O-N 3.13Å; T31-I33 VanDerWaalsContact C-N 3.33Å; T31-I33 PolarHBondContact O-N 3.48Å; I33-F35 VanDerWaalsContact C-N 3.28Å; I33-F35 PolarHBondContact O-N 3.33Å; I33-S36 PolarHBondContact O-N 2.67Å; I33-L37 HydrophobicContact CG2-CD1 3.77Å; I33-L37 HydrophobicContact CG2-CG 4.23Å; I33-L37 VanDerWaalsContact O-CG 3.26Å; I33-L37 WeakPolarHBondContact O-CG 3.38Å; I33-L37 PolarHBondContact O-N 3.25Å; I33-V89 HydrophobicContact CD1-CG1 4.09Å; I33-V89 HydrophobicContact CG2-CG1 4.33Å; I33-T91 HydrophobicContact CD1-CG2 3.59Å; I33-V131 HydrophobicContact CD1-CG2 4.22Å; I33-C251 HydrophobicContact CD1-CB 4.16Å; I33-C251 HydrophobicContact CG1-CB 3.93Å; I33-C251 HydrophobicContact CG2-CB 4.13Å
34A97.9Very high96.5Very high0 Ų023 Ų230%014%0.136CC..Hα-helixtrans-53.9-44.7178.400000112.1G30 T31 S36 L37 I44 L61G30-A34 WeakPolarHBondContact O-CB 3.37Å; G30-A34 PolarHBondContact O-N 3.48Å; T31-A34 PolarHBondContact O-N 2.82Å; A34-S36 PolarHBondContact O-N 2.67Å; A34-L37 PolarHBondContact O-N 2.93Å; A34-I44 HydrophobicContact CB-CG2 4.48Å; A34-I44 WeakPolarHBondContact O-CD1 3.34Å; A34-L61 HydrophobicContact CB-CD1 4.19Å
35F96.9Very high96.4Very high128 Ų12822.7 Ų22.756%0.56114%0.135SC*.Hα-helixtrans-61.9-42.3175.2-177.8-97.6000112.5T31 I33 L37 L38 L61T31-F35 WeakPolarHBondContact O-CB 3.37Å; T31-F35 PolarHBondContact O-N 2.81Å; I33-F35 VanDerWaalsContact C-N 3.28Å; I33-F35 PolarHBondContact O-N 3.33Å; F35-L37 PolarHBondContact O-N 3.49Å; F35-L38 HydrophobicContact CD2-CD1 3.9Å; F35-L38 HydrophobicContact CE2-CD1 4.21Å; F35-L38 WeakPolarHBondContact O-CG 3.43Å; F35-L38 PolarHBondContact O-N 2.79Å; F35-L61 HydrophobicContact CB-CD2 4.26Å; F35-L61 HydrophobicContact CD2-CD2 4Å
36S96.9Very high96.5Very high24 Ų2422.6 Ų22.617%0.16813%0.133CC..Hα-helixtrans-69.2-17.9179.8-55.90000113.2S32 I33 A34 C252S32-S36 WeakPolarHBondContact O-CB 3.37Å; S32-S36 PolarHBondContact O-N 3.39Å; S32-S36 VanDerWaalsContact O-N 3.1Å; S32-S36 PolarHBondContact O-OG 3.46Å; I33-S36 PolarHBondContact O-N 2.67Å; A34-S36 PolarHBondContact O-N 2.67Å; S36-C252 PolarHBondContact O-SG 3.23Å
37L97Very high96.6Very high0 Ų022.7 Ų22.70%013%0.134CC..Hα-helixtrans-89.5-12.8-178.4-67.3173.3000114I21 V23 I33 A34 F35 D39 I40 T41 I44 C252 C255I21-L37 HydrophobicContact CB-CD1 4.21Å; I21-L37 HydrophobicContact CD1-CD1 4.24Å; I21-L37 HydrophobicContact CD1-CD2 3.85Å; I21-L37 HydrophobicContact CG2-CD1 3.64Å; V23-L37 HydrophobicContact CG2-CD1 3.99Å; I33-L37 HydrophobicContact CG2-CD1 3.77Å; I33-L37 HydrophobicContact CG2-CG 4.23Å; I33-L37 VanDerWaalsContact O-CG 3.26Å; I33-L37 WeakPolarHBondContact O-CG 3.38Å; I33-L37 PolarHBondContact O-N 3.25Å; A34-L37 PolarHBondContact O-N 2.93Å; F35-L37 PolarHBondContact O-N 3.49Å; L37-D39 PolarHBondContact O-N 2.98Å; L37-I40 HydrophobicContact CB-CG1 4.5Å; L37-I40 HydrophobicContact CD2-CD1 3.63Å; L37-I40 HydrophobicContact CD2-CG1 3.97Å; L37-I40 WeakPolarHBondContact O-CG1 3.47Å; L37-I40 PolarHBondContact O-N 2.76Å; L37-T41 HydrophobicContact CB-CG2 4.33Å; L37-T41 PolarHBondContact O-N 3.08Å; L37-I44 HydrophobicContact CB-CD1 3.73Å; L37-I44 HydrophobicContact CB-CG1 4.43Å; L37-C252 HydrophobicContact CD2-CB 4.4Å; L37-C255 HydrophobicContact CD2-CB 3.82Å
38L94.6Very high96.7Very high14 Ų1423 Ų237%0.07313%0.129CC..THydrogen-bonded Turntrans-52-32.7-170.2-73.9173.9000114.4F35 I44 L61 C71 I73F35-L38 HydrophobicContact CD2-CD1 3.9Å; F35-L38 HydrophobicContact CE2-CD1 4.21Å; F35-L38 WeakPolarHBondContact O-CG 3.43Å; F35-L38 PolarHBondContact O-N 2.79Å; L38-I44 HydrophobicContact CD2-CD1 4.27Å; L38-L61 HydrophobicContact CD1-CD2 4.02Å; L38-L61 HydrophobicContact CD2-CD2 4.4Å; L38-L61 HydrophobicContact CG-CD2 4.49Å; L38-C71 WeakPolarHBondContact O-CB 3.33Å; L38-I73 HydrophobicContact CD2-CD1 3.81Å; L38-I73 HydrophobicContact CD2-CG1 4.28Å
39D91.6Very high96.7Very high114 Ų11428.4 Ų28.461%0.6115%0.15SC*.THydrogen-bonded Turntrans-97.9-4.6-176.1-66.7-38.2000114.5L37 G69L37-D39 PolarHBondContact O-N 2.98Å; D39-G69 PolarHBondContact OD1-N 3.22Å
40I93.6Very high96.7Very high21 Ų2130.8 Ų30.811%0.10816%0.161CC..THydrogen-bonded Turntrans-113.1-11.9-175.370.9156.2000114.5L37 C255 D256 Y260L37-I40 HydrophobicContact CB-CG1 4.5Å; L37-I40 HydrophobicContact CD2-CD1 3.63Å; L37-I40 HydrophobicContact CD2-CG1 3.97Å; L37-I40 WeakPolarHBondContact O-CG1 3.47Å; L37-I40 PolarHBondContact O-N 2.76Å; I40-C255 HydrophobicContact CD1-CB 3.8Å; I40-D256 HydrophobicContact CD1-CB 4.09Å; I40-Y260 HydrophobicContact CB-CE2 4.4Å
41T94.8Very high96.6Very high5 Ų536.3 Ų36.33%0.03119%0.187CC..  trans-130.9150.1-176.4-165.50000111.8S19 I21 L37 E43 I44 C71S19-T41 VanDerWaalsContact C-OG1 3.32Å; S19-T41 PolarHBondContact O-OG1 3.34Å; S19-T41 WeakPolarHBondContact OG-CA 3.38Å; S19-T41 PolarHBondContact OG-OG1 2.79Å; I21-T41 HydrophobicContact CD1-CG2 4.17Å; I21-T41 HydrophobicContact CG1-CG2 4.37Å; L37-T41 HydrophobicContact CB-CG2 4.33Å; L37-T41 PolarHBondContact O-N 3.08Å; T41-E43 PolarHBondContact OG1-O 3.31Å; T41-I44 HydrophobicContact CG2-CD1 3.91Å; T41-I44 HydrophobicContact CG2-CG1 3.4Å; T41-I44 VanDerWaalsContact CG2-CG1 3.4Å; T41-C71 WeakPolarHBondContact O-CB 3.4Å
42G95.2Very high96.6Very high8 Ų839.9 Ų39.98%0.08221%0.213CC..SBendtrans-86.5-21.8179.900000113.9S19 C71 K72S19-G42 CarbonylContact O-C 3.34Å; S19-G42 PolarHBondContact O-N 2.79Å; S19-G42 PolarHBondContact OG-N 3.09Å; G42-C71 CarbonylContact O-C 3.53Å; G42-C71 WeakPolarHBondContact O-CA 3.38Å; G42-K72 PolarHBondContact O-N 3.32Å
43E96.8Very high96.5Very high25 Ų2543.5 Ų43.512%0.11723%0.228CC..EExtended strand (participates in β ladder)trans-140137.4174.3-174168.5135.700111.6S19 K20 I21 T41 K72S19-E43 PolarHBondContact O-N 3.23Å; K20-E43 WeakPolarHBondContact CA-O 3.24Å; K20-E43 HydrophobicContact CB-CB 4.16Å; K20-E43 HydrophobicContact CD-CG 4.2Å; K20-E43 WeakPolarHBondContact CD-OE1 3.46Å; K20-E43 WeakPolarHBondContact CE-OE1 3.42Å; K20-E43 HydrophobicContact CG-CB 4.07Å; K20-E43 HydrophobicContact CG-CG 4.07Å; K20-E43 IonicContact NZ-OE1 2.79Å; K20-E43 PolarHBondContact NZ-OE1 2.94Å; I21-E43 PolarHBondContact N-O 3.46Å; T41-E43 PolarHBondContact OG1-O 3.31Å; E43-K72 CarbonylContact C-O 3.55Å; E43-K72 VanDerWaalsContact CA-O 3.24Å; E43-K72 WeakPolarHBondContact CA-O 3.48Å; E43-K72 HydrophobicContact CB-CB 4.39Å; E43-K72 HydrophobicContact CG-CB 4.25Å; E43-K72 HydrophobicContact CG-CD 4.46Å; E43-K72 HydrophobicContact CG-CG 4.35Å; E43-K72 IonicContact OE1-NZ 3.81Å; E43-K72 WeakPolarHBondContact OE2-CD 3.09Å; E43-K72 WeakPolarHBondContact OE2-CE 3.4Å; E43-K72 IonicContact OE2-NZ 2.79Å; E43-K72 PolarHBondContact OE2-NZ 3.27Å
44I98Very high96.5Very high0 Ų043.5 Ų43.50%023%0.228CC..EExtended strand (participates in β ladder)trans-120.4132169.6-66169.7000109I21 A34 L37 L38 T41 C71 K72 I73 T74I21-I44 VanDerWaalsContact O-CA 3.28Å; I21-I44 WeakPolarHBondContact O-CA 3.41Å; A34-I44 HydrophobicContact CB-CG2 4.48Å; A34-I44 WeakPolarHBondContact O-CD1 3.34Å; L37-I44 HydrophobicContact CB-CD1 3.73Å; L37-I44 HydrophobicContact CB-CG1 4.43Å; L38-I44 HydrophobicContact CD2-CD1 4.27Å; T41-I44 HydrophobicContact CG2-CD1 3.91Å; T41-I44 HydrophobicContact CG2-CG1 3.4Å; T41-I44 VanDerWaalsContact CG2-CG1 3.4Å; I44-C71 VanDerWaalsContact CD1-SG 3.58Å; I44-C71 VanDerWaalsContact CG1-SG 3.54Å; I44-K72 PolarHBondContact N-O 2.95Å; I44-I73 WeakPolarHBondContact O-CA 3.18Å; I44-T74 PolarHBondContact O-N 2.84Å
45A98.2Very high96.5Very high0 Ų052.1 Ų52.10%026%0.261CS..EExtended strand (participates in β ladder)trans-115.2117.316800000110.3I21 S22 V23 T74 L81I21-A45 PolarHBondContact O-N 2.87Å; I21-A45 VanDerWaalsContact O-N 3.09Å; S22-A45 CarbonylContact C-O 3.48Å; S22-A45 VanDerWaalsContact CA-O 3.28Å; S22-A45 WeakPolarHBondContact CA-O 3.37Å; V23-A45 PolarHBondContact N-O 3.07Å; A45-T74 WeakPolarHBondContact CA-O 3.41Å; A45-L81 WeakPolarHBondContact CB-O 3.42Å
46L98.4Very high96.6Very high0 Ų047.9 Ų47.90%025%0.253CS..EExtended strand (participates in β ladder)trans-99.2118.6179.7-17361.4000110.4V23 C26 V54 E57 V58 T74 G75 G76V23-L46 HydrophobicContact CB-CD1 3.98Å; V23-L46 HydrophobicContact CG1-CD1 4.11Å; C26-L46 HydrophobicContact CB-CD1 4.36Å; C26-L46 HydrophobicContact CB-CD2 4.4Å; C26-L46 HydrophobicContact CB-CG 4.31Å; L46-V54 HydrophobicContact CB-CG1 4.32Å; L46-V54 HydrophobicContact CD2-CG1 4.41Å; L46-V54 HydrophobicContact CG-CG1 4.28Å; L46-V54 WeakPolarHBondContact O-CG1 3.25Å; L46-E57 HydrophobicContact CD2-CB 3.97Å; L46-V58 HydrophobicContact CB-CG2 4.45Å; L46-T74 PolarHBondContact N-O 2.94Å; L46-G75 CarbonylContact O-C 3.55Å; L46-G75 WeakPolarHBondContact O-CA 3.43Å; L46-G76 PolarHBondContact O-N 2.89Å; L46-G76 VanDerWaalsContact O-N 3.08Å
47I98.5Very high96.6Very high3 Ų349.1 Ų49.12%0.01526%0.257CS..EExtended strand (participates in β ladder)trans-114127-174.6-51.3-58.3000110.9V23 V24 G25 G76 F79 L81 T82V23-I47 PolarHBondContact O-N 2.81Å; V24-I47 HydrophobicContact CG1-CB 4.45Å; V24-I47 HydrophobicContact CG2-CB 4.49Å; G25-I47 PolarHBondContact N-O 3.12Å; I47-G76 WeakPolarHBondContact CA-O 3.36Å; I47-F79 HydrophobicContact CG2-CD1 4.41Å; I47-F79 HydrophobicContact CG2-CE1 4.19Å; I47-F79 HydrophobicContact CG2-CZ 4.46Å; I47-L81 HydrophobicContact CD1-CB 3.78Å; I47-L81 HydrophobicContact CD1-CD1 4.17Å; I47-T82 HydrophobicContact CD1-CG2 3.72Å; I47-T82 HydrophobicContact CG1-CG2 3.39Å
48D98Very high96.6Very high36 Ų3649.9 Ų49.919%0.19326%0.261CS..  trans-157.8154.1168.6-160.3-73.3000110.3C26 N50 V54 G76 S77C26-D48 HydrophobicContact CB-CB 3.49Å; C26-D48 VanDerWaalsContact CB-CB 3.49Å; C26-D48 PolarHBondContact N-OD2 3.35Å; D48-N50 PolarHBondContact O-N 3.41Å; D48-N50 PolarHBondContact OD1-N 3.32Å; D48-V54 HydrophobicContact CB-CG2 3.38Å; D48-G76 PolarHBondContact N-O 2.91Å; D48-G76 VanDerWaalsContact N-O 3.15Å; D48-S77 WeakPolarHBondContact O-CA 3.47Å
49I96Very high96.8Very high160 Ų16053.5 Ų53.582%0.82128%0.279SS*.SBendtrans-66.1-23.9174.959171000112.3E51I49-E51 PolarHBondContact O-N 2.9Å; I49-E51 VanDerWaalsContact O-N 3.16Å
50N95.9Very high97Very high82 Ų8253 Ų5344%0.43928%0.276SS..  trans-85.480.1176.1-171.4-18.2000110.8D48 S52 K53 V54D48-N50 PolarHBondContact O-N 3.41Å; D48-N50 PolarHBondContact OD1-N 3.32Å; N50-S52 VanDerWaalsContact C-N 3.28Å; N50-S52 PolarHBondContact O-N 2.63Å; N50-K53 HydrophobicContact CB-CB 4.05Å; N50-K53 VanDerWaalsContact CG-CB 3.49Å; N50-K53 WeakPolarHBondContact O-CB 3.39Å; N50-K53 PolarHBondContact O-N 3.22Å; N50-K53 PolarHBondContact OD1-N 3.16Å; N50-K53 VanDerWaalsContact OD1-N 3.12Å; N50-V54 WeakPolarHBondContact O-CG2 3.44Å; N50-V54 PolarHBondContact O-N 2.78Å
51E95.8Very high97.1Very high116 Ų11652.8 Ų52.854%0.54228%0.275SS..Hα-helixtrans-54-41.4-178.1-68.4-178.8-171.300113.5I49 K53 V54 R55 S77I49-E51 PolarHBondContact O-N 2.9Å; I49-E51 VanDerWaalsContact O-N 3.16Å; E51-K53 VanDerWaalsContact C-N 3.31Å; E51-K53 PolarHBondContact O-N 3.3Å; E51-V54 PolarHBondContact O-N 3.01Å; E51-R55 WeakPolarHBondContact O-CB 3.39Å; E51-R55 PolarHBondContact O-N 3.14Å; E51-S77 WeakPolarHBondContact OE1-CB 3.03Å; E51-S77 PolarHBondContact OE1-OG 2.57Å
52S97.3Very high97.1Very high100 Ų10056.9 Ų56.970%0.69930%0.295SS*.Hα-helixtrans-60.5-41.8178.4-64.90000111.8N50 G56N50-S52 VanDerWaalsContact C-N 3.28Å; N50-S52 PolarHBondContact O-N 2.63Å; S52-G56 PolarHBondContact O-N 3.22Å; S52-G56 VanDerWaalsContact O-N 3.12Å
53K97.4Very high97Very high78 Ų7863.3 Ų63.334%0.33932%0.323SS..Hα-helixtrans-66.8-48.8176.3-173.5-179.8-173.8-175.40111.1C26 N50 E51 R55 G56 E57C26-K53 WeakPolarHBondContact O-CD 3.18Å; C26-K53 WeakPolarHBondContact O-CE 3.45Å; C26-K53 PolarHBondContact O-NZ 2.9Å; N50-K53 HydrophobicContact CB-CB 4.05Å; N50-K53 VanDerWaalsContact CG-CB 3.49Å; N50-K53 WeakPolarHBondContact O-CB 3.39Å; N50-K53 PolarHBondContact O-N 3.22Å; N50-K53 PolarHBondContact OD1-N 3.16Å; N50-K53 VanDerWaalsContact OD1-N 3.12Å; E51-K53 VanDerWaalsContact C-N 3.31Å; E51-K53 PolarHBondContact O-N 3.3Å; K53-R55 VanDerWaalsContact C-N 3.27Å; K53-R55 PolarHBondContact O-N 3.16Å; K53-G56 PolarHBondContact O-N 3.33Å; K53-G56 VanDerWaalsContact O-N 3.07Å; K53-E57 HydrophobicContact CG-CG 4.27Å; K53-E57 WeakPolarHBondContact O-CG 3.35Å; K53-E57 PolarHBondContact O-N 3.46Å
54V98.1Very high96.8Very high0 Ų063.6 Ų63.60%033%0.333CS..Hα-helixtrans-56.8-44.9178.9177.60000110.8C26 L46 D48 N50 E51 G56 E57 V58 G75 G76C26-V54 HydrophobicContact CB-CG2 3.9Å; L46-V54 HydrophobicContact CB-CG1 4.32Å; L46-V54 HydrophobicContact CD2-CG1 4.41Å; L46-V54 HydrophobicContact CG-CG1 4.28Å; L46-V54 WeakPolarHBondContact O-CG1 3.25Å; D48-V54 HydrophobicContact CB-CG2 3.38Å; N50-V54 WeakPolarHBondContact O-CG2 3.44Å; N50-V54 PolarHBondContact O-N 2.78Å; E51-V54 PolarHBondContact O-N 3.01Å; V54-G56 VanDerWaalsContact C-N 3.33Å; V54-G56 PolarHBondContact O-N 2.77Å; V54-E57 PolarHBondContact O-N 3.21Å; V54-V58 HydrophobicContact CG1-CG2 4.08Å; V54-V58 WeakPolarHBondContact O-CB 3.48Å; V54-V58 VanDerWaalsContact O-CG2 3.24Å; V54-V58 WeakPolarHBondContact O-CG2 3.37Å; V54-V58 PolarHBondContact O-N 3.21Å; V54-G75 VanDerWaalsContact CG1-C 3.46Å; V54-G76 VanDerWaalsContact CG1-N 3.32Å
55R97.6Very high96.4Very high180 Ų18066.5 Ų66.568%0.67935%0.346SS*.Hα-helixtrans-58.8-43.8176.2-177.8177.6174.5178.50.4112E51 K53 M59E51-R55 WeakPolarHBondContact O-CB 3.39Å; E51-R55 PolarHBondContact O-N 3.14Å; K53-R55 VanDerWaalsContact C-N 3.27Å; K53-R55 PolarHBondContact O-N 3.16Å; R55-M59 HydrophobicContact CG-SD 3.99Å; R55-M59 WeakPolarHBondContact O-CB 3.39Å; R55-M59 WeakPolarHBondContact O-CG 3.29Å; R55-M59 PolarHBondContact O-N 2.95Å
56G98.1Very high96.1Very high39 Ų3973.5 Ų73.540%0.40238%0.382SS..Hα-helixtrans-60.1-48.3176.600000112.6S52 K53 V54 M59 D60S52-G56 PolarHBondContact O-N 3.22Å; S52-G56 VanDerWaalsContact O-N 3.12Å; K53-G56 PolarHBondContact O-N 3.33Å; K53-G56 VanDerWaalsContact O-N 3.07Å; V54-G56 VanDerWaalsContact C-N 3.33Å; V54-G56 PolarHBondContact O-N 2.77Å; G56-M59 PolarHBondContact O-N 3.44Å; G56-D60 PolarHBondContact O-N 3.42Å
57E97.9Very high95.8Very high51 Ų5181.9 Ų81.924%0.23842%0.419CS..Hα-helixtrans-68.5-40.3-178.3-61.7-81.7-17900111.7T31 L46 K53 V54 D60 L61T31-E57 HydrophobicContact CG2-CB 4.41Å; T31-E57 VanDerWaalsContact CG2-CD 3.4Å; T31-E57 HydrophobicContact CG2-CG 3.87Å; T31-E57 WeakPolarHBondContact CG2-OE2 3.22Å; L46-E57 HydrophobicContact CD2-CB 3.97Å; K53-E57 HydrophobicContact CG-CG 4.27Å; K53-E57 WeakPolarHBondContact O-CG 3.35Å; K53-E57 PolarHBondContact O-N 3.46Å; V54-E57 PolarHBondContact O-N 3.21Å; E57-D60 PolarHBondContact O-N 3.19Å; E57-L61 WeakPolarHBondContact O-CB 3.33Å; E57-L61 VanDerWaalsContact O-CG 3.28Å; E57-L61 WeakPolarHBondContact O-CG 3.3Å; E57-L61 PolarHBondContact O-N 3.31Å
58V97.5Very high95.3Very high15 Ų1583.3 Ų83.39%0.09143%0.429CS..Hα-helixtrans-60.9-45.3172.6168.60000110.6L46 V54 D60 L61 M62 I73L46-V58 HydrophobicContact CB-CG2 4.45Å; V54-V58 HydrophobicContact CG1-CG2 4.08Å; V54-V58 WeakPolarHBondContact O-CB 3.48Å; V54-V58 VanDerWaalsContact O-CG2 3.24Å; V54-V58 WeakPolarHBondContact O-CG2 3.37Å; V54-V58 PolarHBondContact O-N 3.21Å; V58-D60 VanDerWaalsContact C-N 3.33Å; V58-D60 PolarHBondContact O-N 3.21Å; V58-L61 PolarHBondContact O-N 2.96Å; V58-M62 HydrophobicContact CG1-CG 4.31Å; V58-M62 HydrophobicContact CG1-SD 3.72Å; V58-M62 WeakPolarHBondContact O-CB 3.36Å; V58-M62 WeakPolarHBondContact O-CG 3.36Å; V58-M62 PolarHBondContact O-N 2.92Å; V58-I73 HydrophobicContact CB-CG2 4.41Å; V58-I73 HydrophobicContact CG1-CG2 4.07Å; V58-I73 HydrophobicContact CG2-CG2 4.15Å
59M97.4Very high94.6Very high90 Ų9083 Ų8344%0.44344%0.435SS..Hα-helixtrans-62.1-40.2177.5-75.7174.761.500112.3R55 G56 M62 Q63R55-M59 HydrophobicContact CG-SD 3.99Å; R55-M59 WeakPolarHBondContact O-CB 3.39Å; R55-M59 WeakPolarHBondContact O-CG 3.29Å; R55-M59 PolarHBondContact O-N 2.95Å; G56-M59 PolarHBondContact O-N 3.44Å; M59-M62 PolarHBondContact O-N 2.99Å; M59-Q63 VanDerWaalsContact O-CG 3.27Å; M59-Q63 WeakPolarHBondContact O-CG 3.27Å; M59-Q63 PolarHBondContact O-N 3.02Å
60D96.9Very high94.3Very high104 Ų10483.6 Ų83.656%0.55643%0.428SS*.Hα-helixtrans-66-49.5178.8-162.711.1000111.1G56 E57 V58 M62 Q63 G64G56-D60 PolarHBondContact O-N 3.42Å; E57-D60 PolarHBondContact O-N 3.19Å; V58-D60 VanDerWaalsContact C-N 3.33Å; V58-D60 PolarHBondContact O-N 3.21Å; D60-M62 VanDerWaalsContact C-N 3.31Å; D60-M62 PolarHBondContact O-N 2.91Å; D60-Q63 PolarHBondContact O-N 3.01Å; D60-Q63 VanDerWaalsContact O-N 3.16Å; D60-G64 PolarHBondContact O-N 3.42Å
61L95.6Very high94.2Very high17 Ų1779.7 Ų79.79%0.08941%0.407CS..Hα-helixtrans-59.4-40.7175.5-66169000112A34 F35 L38 E57 V58 Q63 G64 I73A34-L61 HydrophobicContact CB-CD1 4.19Å; F35-L61 HydrophobicContact CB-CD2 4.26Å; F35-L61 HydrophobicContact CD2-CD2 4Å; L38-L61 HydrophobicContact CD1-CD2 4.02Å; L38-L61 HydrophobicContact CD2-CD2 4.4Å; L38-L61 HydrophobicContact CG-CD2 4.49Å; E57-L61 WeakPolarHBondContact O-CB 3.33Å; E57-L61 VanDerWaalsContact O-CG 3.28Å; E57-L61 WeakPolarHBondContact O-CG 3.3Å; E57-L61 PolarHBondContact O-N 3.31Å; V58-L61 PolarHBondContact O-N 2.96Å; L61-Q63 PolarHBondContact O-N 3.09Å; L61-G64 PolarHBondContact O-N 3.08Å; L61-I73 HydrophobicContact CB-CD1 3.69Å; L61-I73 HydrophobicContact CB-CG2 4.5Å; L61-I73 HydrophobicContact CD1-CG2 4.28Å
62M94.5Very high94.1Very high91 Ų9178.5 Ų78.545%0.44840%0.4SS..Hα-helixtrans-64.4-37.5177.1-75.3176.571.600112.9V58 M59 D60 G64 Q65 I73V58-M62 HydrophobicContact CG1-CG 4.31Å; V58-M62 HydrophobicContact CG1-SD 3.72Å; V58-M62 WeakPolarHBondContact O-CB 3.36Å; V58-M62 WeakPolarHBondContact O-CG 3.36Å; V58-M62 PolarHBondContact O-N 2.92Å; M59-M62 PolarHBondContact O-N 2.99Å; D60-M62 VanDerWaalsContact C-N 3.31Å; D60-M62 PolarHBondContact O-N 2.91Å; M62-G64 PolarHBondContact O-N 3.01Å; M62-Q65 WeakPolarHBondContact O-CB 3.28Å; M62-Q65 PolarHBondContact O-N 3.44Å; M62-I73 HydrophobicContact CG-CB 4.3Å; M62-I73 HydrophobicContact CG-CD1 4.26Å
63Q94.1Very high94.1Very high143 Ų14374.3 Ų74.367%0.66837%0.37SS*.Hα-helixtrans-65.4-26.2176.8-73.9170.436.600112.3M59 D60 L61M59-Q63 VanDerWaalsContact O-CG 3.27Å; M59-Q63 WeakPolarHBondContact O-CG 3.27Å; M59-Q63 PolarHBondContact O-N 3.02Å; D60-Q63 PolarHBondContact O-N 3.01Å; D60-Q63 VanDerWaalsContact O-N 3.16Å; L61-Q63 PolarHBondContact O-N 3.09Å
64G91.8Very high94.1Very high31 Ų3172.1 Ų72.132%0.3236%0.363SS..THydrogen-bonded Turntrans-80-12.6175.600000115.5D60 L61 M62 L66 F67D60-G64 PolarHBondContact O-N 3.42Å; L61-G64 PolarHBondContact O-N 3.08Å; M62-G64 PolarHBondContact O-N 3.01Å; G64-L66 PolarHBondContact O-N 3.29Å; G64-F67 PolarHBondContact O-N 3.16Å
65Q88.8Confident94.1Very high61 Ų6173.5 Ų73.529%0.28538%0.378SS..G310 helixtrans-60.9-19.4-169.6-78.2179.9-41.300115.3M62 F67 C71 I73M62-Q65 WeakPolarHBondContact O-CB 3.28Å; M62-Q65 PolarHBondContact O-N 3.44Å; Q65-F67 PolarHBondContact O-N 3.19Å; Q65-C71 PolarHBondContact NE2-O 3.25Å; Q65-I73 HydrophobicContact CG-CD1 4.04Å
66L91.6Very high94.1Very high146 Ų14665.6 Ų65.676%0.76435%0.352SS*.G310 helixtrans-63.9-24.3173.2-178.561.3000112.3G64G64-L66 PolarHBondContact O-N 3.29Å
67F93.2Very high94Very high176 Ų17665.9 Ų65.977%0.77235%0.348SS*.G310 helixtrans-109.63.7-172.4-50.7-69.5000113.4G64 Q65G64-F67 PolarHBondContact O-N 3.16Å; Q65-F67 PolarHBondContact O-N 3.19Å
68S88.5Confident94Very high33 Ų3367.5 Ų67.523%0.23136%0.358CS..SBendtrans-122.6177.8177.869.70000111.4
69G83.3Confident94Very high30 Ų3068.2 Ų68.231%0.30936%0.36SS..  trans-60.5162.2164.400000112.5D39 C71D39-G69 PolarHBondContact OD1-N 3.22Å; G69-C71 PolarHBondContact O-N 3.4Å
70Y88.8Confident94.1Very high173 Ų17369.9 Ų69.968%0.67837%0.367SS*.  trans-67.5117.3171.9177.1-90.3000109.6L18L18-Y70 HydrophobicContact CD1-CE1 3.86Å
71C94Very high94.1Very high0 Ų067.6 Ų67.60%035%0.354CS..  trans-142.6115.3172.8169.60000108.9L38 T41 G42 I44 Q65 G69 I73L38-C71 WeakPolarHBondContact O-CB 3.33Å; T41-C71 WeakPolarHBondContact O-CB 3.4Å; G42-C71 CarbonylContact O-C 3.53Å; G42-C71 WeakPolarHBondContact O-CA 3.38Å; I44-C71 VanDerWaalsContact CD1-SG 3.58Å; I44-C71 VanDerWaalsContact CG1-SG 3.54Å; Q65-C71 PolarHBondContact NE2-O 3.25Å; G69-C71 PolarHBondContact O-N 3.4Å; C71-I73 PolarHBondContact O-N 3.09Å
72K94.8Very high94.2Very high91 Ų9166.8 Ų66.840%0.39635%0.35SS..EExtended strand (participates in β ladder)trans-68120.6173.9176.3177.2159.7-144.40109.7G42 E43 I44 T74G42-K72 PolarHBondContact O-N 3.32Å; E43-K72 CarbonylContact C-O 3.55Å; E43-K72 VanDerWaalsContact CA-O 3.24Å; E43-K72 WeakPolarHBondContact CA-O 3.48Å; E43-K72 HydrophobicContact CB-CB 4.39Å; E43-K72 HydrophobicContact CG-CB 4.25Å; E43-K72 HydrophobicContact CG-CD 4.46Å; E43-K72 HydrophobicContact CG-CG 4.35Å; E43-K72 IonicContact OE1-NZ 3.81Å; E43-K72 WeakPolarHBondContact OE2-CD 3.09Å; E43-K72 WeakPolarHBondContact OE2-CE 3.4Å; E43-K72 IonicContact OE2-NZ 2.79Å; E43-K72 PolarHBondContact OE2-NZ 3.27Å; I44-K72 PolarHBondContact N-O 2.95Å; K72-T74 HydrophobicContact CG-CG2 4.43Å
73I96.3Very high94.4Very high11 Ų1164.6 Ų64.66%0.05634%0.342CS..EExtended strand (participates in β ladder)trans-109.7124.7-178.5-56.3147.4000108.7L38 I44 V58 L61 M62 Q65 C71L38-I73 HydrophobicContact CD2-CD1 3.81Å; L38-I73 HydrophobicContact CD2-CG1 4.28Å; I44-I73 WeakPolarHBondContact O-CA 3.18Å; V58-I73 HydrophobicContact CB-CG2 4.41Å; V58-I73 HydrophobicContact CG1-CG2 4.07Å; V58-I73 HydrophobicContact CG2-CG2 4.15Å; L61-I73 HydrophobicContact CB-CD1 3.69Å; L61-I73 HydrophobicContact CB-CG2 4.5Å; L61-I73 HydrophobicContact CD1-CG2 4.28Å; M62-I73 HydrophobicContact CG-CB 4.3Å; M62-I73 HydrophobicContact CG-CD1 4.26Å; Q65-I73 HydrophobicContact CG-CD1 4.04Å; C71-I73 PolarHBondContact O-N 3.09Å
74T97.1Very high94.5Very high33 Ų3363.9 Ų63.920%0.20234%0.342CS..EExtended strand (participates in β ladder)trans-127.1163.1172.463.30000109.6I44 A45 L46 K72I44-T74 PolarHBondContact O-N 2.84Å; A45-T74 WeakPolarHBondContact CA-O 3.41Å; L46-T74 PolarHBondContact N-O 2.94Å; K72-T74 HydrophobicContact CG-CG2 4.43Å
75G97.7Very high94.8Very high29 Ų2962.6 Ų62.630%0.29933%0.328SS..EExtended strand (participates in β ladder)trans-174156172.800000113.5L46 V54 L81L46-G75 CarbonylContact O-C 3.55Å; L46-G75 WeakPolarHBondContact O-CA 3.43Å; V54-G75 VanDerWaalsContact CG1-C 3.46Å; G75-L81 VanDerWaalsContact C-CD1 3.48Å
76G98Very high95.2Very high14 Ų1463.2 Ų63.214%0.14433%0.334CS..EExtended strand (participates in β ladder)trans176.3-165.5-179.700000111.4L46 I47 D48 V54L46-G76 PolarHBondContact O-N 2.89Å; L46-G76 VanDerWaalsContact O-N 3.08Å; I47-G76 WeakPolarHBondContact CA-O 3.36Å; D48-G76 PolarHBondContact N-O 2.91Å; D48-G76 VanDerWaalsContact N-O 3.15Å; V54-G76 VanDerWaalsContact CG1-N 3.32Å
77S97.3Very high95.6Very high45 Ų4556.2 Ų56.232%0.31530%0.297SS..SBendtrans-91.2-15.7174.659.50000113.1D48 E51D48-S77 WeakPolarHBondContact O-CA 3.47Å; E51-S77 WeakPolarHBondContact OE1-CB 3.03Å; E51-S77 PolarHBondContact OE1-OG 2.57Å
78D97.4Very high95.8Very high85 Ų8547.9 Ų47.946%0.45526%0.261SS..  trans-81.7126.2-175.9-166.2-11.9000112E80 L81D78-E80 PolarHBondContact O-N 2.81Å; D78-E80 PolarHBondContact OD1-N 3.49Å; D78-L81 WeakPolarHBondContact O-CB 3.36Å; D78-L81 PolarHBondContact O-N 3.43Å
79F97.7Very high96.3Very high29 Ų2946.3 Ų46.313%0.12725%0.25CC..G310 helixtrans-69.3-17.3177.5-71.6-85.3000112.9I47 L81 T82 I115 K118 L119 H122I47-F79 HydrophobicContact CG2-CD1 4.41Å; I47-F79 HydrophobicContact CG2-CE1 4.19Å; I47-F79 HydrophobicContact CG2-CZ 4.46Å; F79-L81 PolarHBondContact O-N 2.97Å; F79-T82 WeakPolarHBondContact O-CB 3.3Å; F79-T82 PolarHBondContact O-N 3.46Å; F79-T82 PolarHBondContact O-OG1 2.86Å; F79-I115 HydrophobicContact CE1-CB 4.02Å; F79-I115 HydrophobicContact CE1-CG2 4.32Å; F79-I115 HydrophobicContact CZ-CB 3.83Å; F79-I115 HydrophobicContact CZ-CG2 3.65Å; F79-K118 HydrophobicContact CB-CB 4.22Å; F79-K118 HydrophobicContact CD1-CB 4.15Å; F79-K118 HydrophobicContact CD2-CB 4.16Å; F79-K118 HydrophobicContact CD2-CD 3.61Å; F79-K118 HydrophobicContact CE2-CD 3.75Å; F79-K118 HydrophobicContact CG-CB 3.9Å; F79-K118 HydrophobicContact CG-CD 4.23Å; F79-K118 HydrophobicContact CZ-CD 4.47Å; F79-L119 HydrophobicContact CD1-CD2 3.59Å; F79-L119 HydrophobicContact CD1-CG 3.94Å; F79-L119 HydrophobicContact CE1-CD2 3.82Å; F79-L119 HydrophobicContact CE1-CG 3.93Å; F79-H122 PolarHBondContact O-CD2 2.98Å
80E97.8Very high97.1Very high126 Ų12644.9 Ų44.959%0.58924%0.235SC*.G310 helixtrans-57.7-31.1173.9-170.8177.916500112.2D78 T82 T83D78-E80 PolarHBondContact O-N 2.81Å; D78-E80 PolarHBondContact OD1-N 3.49Å; E80-T82 PolarHBondContact O-N 2.83Å; E80-T82 VanDerWaalsContact O-N 3.08Å; E80-T83 VanDerWaalsContact O-CB 3.23Å; E80-T83 WeakPolarHBondContact O-CB 2.98Å; E80-T83 PolarHBondContact O-N 3.09Å; E80-T83 PolarHBondContact O-OG1 3.15Å
81L97.6Very high97.5Very high56 Ų5637.2 Ų37.229%0.29321%0.206SC..G310 helixtrans-58.8-23.3174.1-65.1173000112.8K20 A45 I47 G75 D78 F79 T83K20-L81 VanDerWaalsContact CE-O 3.25Å; K20-L81 WeakPolarHBondContact CE-O 3.37Å; K20-L81 PolarHBondContact NZ-O 3.09Å; A45-L81 WeakPolarHBondContact CB-O 3.42Å; I47-L81 HydrophobicContact CD1-CB 3.78Å; I47-L81 HydrophobicContact CD1-CD1 4.17Å; G75-L81 VanDerWaalsContact C-CD1 3.48Å; D78-L81 WeakPolarHBondContact O-CB 3.36Å; D78-L81 PolarHBondContact O-N 3.43Å; F79-L81 PolarHBondContact O-N 2.97Å; L81-T83 VanDerWaalsContact C-N 3.29Å; L81-T83 PolarHBondContact O-N 2.88Å
82T98.2Very high97.7Very high0 Ų038 Ų380%021%0.212CC..G310 helixtrans-82.8-3.7178.171.70000113.8S22 I47 F79 E80 N84 S85 L119 S123S22-T82 WeakPolarHBondContact OG-CA 3.28Å; S22-T82 WeakPolarHBondContact OG-CB 3.25Å; I47-T82 HydrophobicContact CD1-CG2 3.72Å; I47-T82 HydrophobicContact CG1-CG2 3.39Å; F79-T82 WeakPolarHBondContact O-CB 3.3Å; F79-T82 PolarHBondContact O-N 3.46Å; F79-T82 PolarHBondContact O-OG1 2.86Å; E80-T82 PolarHBondContact O-N 2.83Å; E80-T82 VanDerWaalsContact O-N 3.08Å; T82-N84 PolarHBondContact O-N 3.02Å; T82-S85 PolarHBondContact O-N 3.43Å; T82-S85 PolarHBondContact O-OG 3.35Å; T82-L119 HydrophobicContact CG2-CD2 3.9Å; T82-S123 PolarHBondContact O-OG 3.38Å
83T97.8Very high97.7Very high44 Ų4436.3 Ų36.327%0.2721%0.212SC..THydrogen-bonded Turntrans-55.1134.6-174-59.60000112.1K20 E80 L81 S85 H122K20-T83 WeakPolarHBondContact CD-O 3.34Å; K20-T83 WeakPolarHBondContact CE-O 3.35Å; K20-T83 PolarHBondContact NZ-O 3.08Å; E80-T83 VanDerWaalsContact O-CB 3.23Å; E80-T83 WeakPolarHBondContact O-CB 2.98Å; E80-T83 PolarHBondContact O-N 3.09Å; E80-T83 PolarHBondContact O-OG1 3.15Å; L81-T83 VanDerWaalsContact C-N 3.29Å; L81-T83 PolarHBondContact O-N 2.88Å; T83-S85 VanDerWaalsContact C-N 3.35Å; T83-S85 PolarHBondContact O-N 3.02Å; T83-H122 VanDerWaalsContact CA-O 3.3Å; T83-H122 WeakPolarHBondContact CA-O 3.2Å; T83-H122 PolarHBondContact OG1-ND1 3.1Å
84N96.6Very high97.3Very high128 Ų12838.5 Ų38.568%0.68423%0.225SC*.THydrogen-bonded Turntrans59.135.8-178.9-58.8-33.3000114.7T82 H122 S123T82-N84 PolarHBondContact O-N 3.02Å; N84-H122 PolarHBondContact N-O 3.25Å; N84-H122 VanDerWaalsContact N-O 3.13Å; N84-S123 PolarHBondContact N-OG 2.86Å
85S98.2Very high96.4Very high4 Ų442.4 Ų42.43%0.02825%0.25CC..  trans-70.8140.2168.8-60.10000111.3S22 T82 T83 S123 C126S22-S85 PolarHBondContact OG-OG 2.87Å; T82-S85 PolarHBondContact O-N 3.43Å; T82-S85 PolarHBondContact O-OG 3.35Å; T83-S85 VanDerWaalsContact C-N 3.35Å; T83-S85 PolarHBondContact O-N 3.02Å; S85-S123 WeakPolarHBondContact CB-OG 3.4Å; S85-S123 PolarHBondContact N-OG 3.47Å; S85-C126 WeakPolarHBondContact O-CB 3.47Å
86D98.1Very high95.6Very high74 Ų7444 Ų4440%0.39625%0.251SS..SBendtrans-75.7-38167.7-59.2-65.8000110.7S19 K20 C126 V127 I259S19-D86 VanDerWaalsContact CA-OD2 3.22Å; S19-D86 WeakPolarHBondContact CA-OD2 3.45Å; K20-D86 PolarHBondContact N-OD2 3.3Å; K20-D86 PolarHBondContact O-N 2.85Å; D86-C126 CarbonylContact O-C 3.52Å; D86-C126 VanDerWaalsContact O-CA 3.27Å; D86-C126 WeakPolarHBondContact O-CA 3.5Å; D86-V127 PolarHBondContact O-N 3.12Å; D86-I259 HydrophobicContact CB-CD1 4.01Å
87I98.7Very high94.5Very high0 Ų052.6 Ų52.60%028%0.284CS..EExtended strand (participates in β ladder)trans-133.8136.1-178.2-50.5167.4000109.3K20 I21 S22 V89 V127 L129 C255 I258 I259K20-I87 PolarHBondContact O-N 3.18Å; I21-I87 WeakPolarHBondContact CA-O 3.24Å; I21-I87 HydrophobicContact CD1-CD1 4.12Å; I21-I87 HydrophobicContact CG1-CB 4.2Å; I21-I87 HydrophobicContact CG1-CD1 4.21Å; I21-I87 HydrophobicContact CG2-CB 4.21Å; S22-I87 PolarHBondContact N-O 3.41Å; I87-V89 HydrophobicContact CG2-CG2 4.07Å; I87-V127 WeakPolarHBondContact CA-O 3.48Å; I87-L129 HydrophobicContact CG2-CB 4.48Å; I87-C255 HydrophobicContact CD1-CB 3.83Å; I87-I258 HydrophobicContact CD1-CB 3.86Å; I87-I258 HydrophobicContact CD1-CD1 3.91Å; I87-I258 HydrophobicContact CD1-CG2 3.89Å; I87-I258 HydrophobicContact CG1-CB 4.49Å; I87-I258 HydrophobicContact CG1-CD1 4.28Å; I87-I258 HydrophobicContact CG1-CG2 4.01Å; I87-I259 HydrophobicContact CD1-CD1 3.8Å; I87-I259 HydrophobicContact CD1-CG1 3.89Å; I87-I259 HydrophobicContact CG1-CD1 4.34Å
88V98.8Very high94Very high0 Ų057.6 Ų57.60%031%0.308CS..EExtended strand (participates in β ladder)trans-119.6112.7171.5175.50000108.4S22 V24 V90 L119 C126 V127 L128 L129S22-V88 CarbonylContact O-C 3.5Å; S22-V88 WeakPolarHBondContact O-CA 3.39Å; V24-V88 HydrophobicContact CG2-CG1 3.95Å; V88-V90 HydrophobicContact CG1-CG2 4.14Å; V88-L119 HydrophobicContact CG1-CB 4.41Å; V88-L119 HydrophobicContact CG1-CD1 3.97Å; V88-L119 HydrophobicContact CG1-CD2 3.88Å; V88-L119 HydrophobicContact CG1-CG 4.3Å; V88-C126 HydrophobicContact CG2-CB 4.03Å; V88-V127 PolarHBondContact N-O 3.12Å; V88-L128 HydrophobicContact CB-CD2 3.84Å; V88-L128 HydrophobicContact CG1-CD2 3.9Å; V88-L129 PolarHBondContact O-N 2.97Å
89V98.9Very high93.6Very high0 Ų055 Ų550%029%0.293CS..EExtended strand (participates in β ladder)trans-95.2115.3179.2-170.60000109.6I21 S22 V24 I33 I87 T91 L129 V131I21-V89 HydrophobicContact CG2-CG2 4Å; S22-V89 PolarHBondContact O-N 3.4Å; V24-V89 PolarHBondContact N-O 3.31Å; I33-V89 HydrophobicContact CD1-CG1 4.09Å; I33-V89 HydrophobicContact CG2-CG1 4.33Å; I87-V89 HydrophobicContact CG2-CG2 4.07Å; V89-T91 HydrophobicContact CG1-CG2 4.16Å; V89-L129 CarbonylContact C-O 3.56Å; V89-L129 WeakPolarHBondContact CA-O 3.34Å; V89-L129 HydrophobicContact CG1-CD2 4.24Å; V89-L129 HydrophobicContact CG1-CG 4.34Å; V89-L129 HydrophobicContact CG2-CB 4.34Å; V89-L129 HydrophobicContact CG2-CD2 4.19Å; V89-V131 HydrophobicContact CG1-CG2 3.61Å
90V98.8Very high93.4Very high0 Ų060.4 Ų60.40%032%0.316CS..EExtended strand (participates in β ladder)trans-101.8107.7-175.6-169.70000110.5V88 Y112 I115 I116 L119 L128 L129 I130 V131 T132V88-V90 HydrophobicContact CG1-CG2 4.14Å; V90-Y112 HydrophobicContact CG1-CE1 3.83Å; V90-Y112 WeakPolarHBondContact CG1-OH 3.45Å; V90-I115 HydrophobicContact CG1-CD1 4.02Å; V90-I116 HydrophobicContact CG2-CD1 4.22Å; V90-L119 HydrophobicContact CG2-CD1 4.21Å; V90-L128 HydrophobicContact CG2-CD2 4.37Å; V90-L129 PolarHBondContact N-O 3.04Å; V90-I130 HydrophobicContact CB-CD1 3.84Å; V90-I130 HydrophobicContact CG2-CD1 3.84Å; V90-V131 WeakPolarHBondContact O-CB 3.19Å; V90-V131 PolarHBondContact O-N 3.32Å; V90-T132 PolarHBondContact O-N 3.23Å; V90-T132 PolarHBondContact O-OG1 3.5Å
91T98.4Very high93Very high12 Ų1259.5 Ų59.57%0.07432%0.321CS..  trans-113.3-12.9177.677.60000112.5V23 V24 G25 V29 I33 V89 C93 V131V23-T91 HydrophobicContact CG1-CG2 4.33Å; V24-T91 CarbonylContact O-C 3.26Å; V24-T91 WeakPolarHBondContact O-CA 3.42Å; V24-T91 PolarHBondContact O-N 3.49Å; V24-T91 PolarHBondContact O-OG1 3.42Å; G25-T91 PolarHBondContact O-OG1 2.93Å; V29-T91 HydrophobicContact CG1-CG2 3.94Å; I33-T91 HydrophobicContact CD1-CG2 3.59Å; V89-T91 HydrophobicContact CG1-CG2 4.16Å; T91-C93 PolarHBondContact O-N 3.49Å; T91-V131 HydrophobicContact CG2-CB 4.11Å; T91-V131 HydrophobicContact CG2-CG2 4.1Å
92A97.1Very high92.7Very high16 Ų1664 Ų6413%0.13234%0.341CS..  trans-57.7132.5-17900000110.8V24 L111 I115 T132V24-A92 HydrophobicContact CG1-CB 4.03Å; V24-A92 PolarHBondContact O-N 3.34Å; A92-L111 HydrophobicContact CB-CD2 4.2Å; A92-I115 HydrophobicContact CB-CD1 4.21Å; A92-T132 PolarHBondContact O-OG1 3.44Å
93C94.8Very high92.4Very high57 Ų5768.7 Ų68.739%0.38536%0.363SS..  trans-155.1150.9178.556.60000110.7T91 T95 N108 T132T91-C93 PolarHBondContact O-N 3.49Å; C93-T95 HydrophobicContact CB-CG2 4.46Å; C93-T95 PolarHBondContact O-N 2.96Å; C93-T95 WeakPolarHBondContact SG-CG2 3.28Å; C93-N108 VanDerWaalsContact CA-OD1 3.29Å; C93-N108 WeakPolarHBondContact CA-OD1 3.33Å; C93-N108 WeakPolarHBondContact CB-OD1 3.39Å; C93-T132 HydrophobicContact CB-CG2 3.6Å
94V89.2Confident92.2Very high56 Ų5669.6 Ų69.634%0.33936%0.363SS..  trans-87.7106170.3-174.30000107.6K107 N108 L111V94-K107 HydrophobicContact CB-CB 4.11Å; V94-K107 HydrophobicContact CG1-CB 4.24Å; V94-K107 HydrophobicContact CG1-CD 3.99Å; V94-K107 HydrophobicContact CG2-CB 4.41Å; V94-N108 PolarHBondContact N-OD1 2.83Å; V94-L111 HydrophobicContact CG2-CB 4.22Å; V94-L111 HydrophobicContact CG2-CD2 4.06Å
95T76.5Confident92.1Very high116 Ų11664.3 Ų64.371%0.71234%0.335SS*.  trans-106.2114.9178.759.70000111.1C93C93-T95 HydrophobicContact CB-CG2 4.46Å; C93-T95 PolarHBondContact O-N 2.96Å; C93-T95 WeakPolarHBondContact SG-CG2 3.28Å
96N80.8Confident92Very high61 Ų6167 Ų6733%0.32635%0.351SS..  trans-124.1118.4162.2-177.3-8.2000109N98 E99 K104N96-N98 PolarHBondContact O-N 3.46Å; N96-N98 VanDerWaalsContact O-N 3.12Å; N96-N98 PolarHBondContact OD1-N 3.33Å; N96-N98 VanDerWaalsContact OD1-N 3.15Å; N96-E99 HydrophobicContact CB-CB 4.34Å; N96-E99 VanDerWaalsContact CB-CD 3.46Å; N96-E99 HydrophobicContact CB-CG 3.94Å; N96-E99 WeakPolarHBondContact CB-OE1 3.5Å; N96-E99 PolarHBondContact ND2-OE1 3.07Å; N96-E99 PolarHBondContact O-N 2.95Å; N96-E99 VanDerWaalsContact O-N 3.16Å; N96-K104 WeakPolarHBondContact O-CE 3.18Å; N96-K104 PolarHBondContact O-NZ 3.45Å
97K75.9Confident91.8Very high195 Ų19567.5 Ų67.585%0.84835%0.349SS*.THydrogen-bonded Turntrans-59.8-27.7-175.2-67.7-174.7179.4-178.20112.8E99K97-E99 VanDerWaalsContact C-N 3.35Å
98N87.6Confident91.8Very high151 Ų15167.8 Ų67.881%0.80735%0.351SS*.THydrogen-bonded Turntrans-84.5-6.8-175.9-60.1-25.1000113.9N96N96-N98 PolarHBondContact O-N 3.46Å; N96-N98 VanDerWaalsContact O-N 3.12Å; N96-N98 PolarHBondContact OD1-N 3.33Å; N96-N98 VanDerWaalsContact OD1-N 3.15Å
99E89.1Confident91.7Very high29 Ų2968.1 Ų68.114%0.13635%0.353CS..SBendtrans-88.8143.3-177.5-76168.8-159.900112.4N96 K97 Q103 K104 K107N96-E99 HydrophobicContact CB-CB 4.34Å; N96-E99 VanDerWaalsContact CB-CD 3.46Å; N96-E99 HydrophobicContact CB-CG 3.94Å; N96-E99 WeakPolarHBondContact CB-OE1 3.5Å; N96-E99 PolarHBondContact ND2-OE1 3.07Å; N96-E99 PolarHBondContact O-N 2.95Å; N96-E99 VanDerWaalsContact O-N 3.16Å; K97-E99 VanDerWaalsContact C-N 3.35Å; E99-Q103 HydrophobicContact CB-CB 4.2Å; E99-K104 HydrophobicContact CB-CG 3.88Å; E99-K104 WeakPolarHBondContact O-CE 3.36Å; E99-K104 PolarHBondContact O-NZ 2.9Å; E99-K107 IonicContact OE1-NZ 3.6Å; E99-K107 PolarHBondContact OE1-NZ 2.95Å; E99-K107 WeakPolarHBondContact OE2-CD 3.33Å; E99-K107 WeakPolarHBondContact OE2-CE 3.41Å; E99-K107 IonicContact OE2-NZ 2.95Å; E99-K107 PolarHBondContact OE2-NZ 3.35Å; E99-K107 VanDerWaalsContact OE2-NZ 3.14Å
100K91.9Very high91.6Very high143 Ų14373.9 Ų73.962%0.62238%0.378SS*.  trans-64.5153.4172.5-65.7-175.1179.2-176.90110.4E102 Q103 K104K100-E102 VanDerWaalsContact C-N 3.28Å; K100-E102 PolarHBondContact O-N 3.29Å; K100-Q103 HydrophobicContact CB-CG 4.39Å; K100-Q103 PolarHBondContact O-N 3.32Å; K100-K104 PolarHBondContact O-N 3.34Å; K100-K104 VanDerWaalsContact O-N 3.11Å
101P90Very high91.5Very high107 Ų10775.6 Ų75.670%0.69539%0.387SS*.Hα-helixtrans-50.9-43.2178.4-29.436.4000114.1Q103 K104 L105P101-Q103 PolarHBondContact O-N 3.45Å; P101-K104 WeakPolarHBondContact O-CB 3.27Å; P101-K104 PolarHBondContact O-N 3.19Å; P101-L105 WeakPolarHBondContact O-CB 3.49Å; P101-L105 PolarHBondContact O-N 2.84Å
102E90.6Very high91.5Very high151 Ų15175 Ų7571%0.70638%0.383SS*.Hα-helixtrans-61.1-41.7177.9-64.8170.2-171.100112.8K100 L105 V106K100-E102 VanDerWaalsContact C-N 3.28Å; K100-E102 PolarHBondContact O-N 3.29Å; E102-L105 PolarHBondContact O-N 2.96Å; E102-V106 WeakPolarHBondContact O-CG2 3.21Å; E102-V106 PolarHBondContact O-N 3.23Å
103Q92.2Very high91.5Very high99 Ų9978.7 Ų78.746%0.46340%0.398SS..Hα-helixtrans-66.4-42178.6-66.7173.6-39.900111.2E99 K100 P101 L105 V106 K107E99-Q103 HydrophobicContact CB-CB 4.2Å; K100-Q103 HydrophobicContact CB-CG 4.39Å; K100-Q103 PolarHBondContact O-N 3.32Å; P101-Q103 PolarHBondContact O-N 3.45Å; Q103-L105 VanDerWaalsContact C-N 3.33Å; Q103-V106 PolarHBondContact O-N 2.91Å; Q103-K107 WeakPolarHBondContact O-CG 3.18Å; Q103-K107 PolarHBondContact O-N 2.75Å; Q103-K107 VanDerWaalsContact O-N 3.15Å
104K93.8Very high91.6Very high62 Ų6281.8 Ų81.827%0.2741%0.407SS..Hα-helixtrans-60.9-44.3174.7-70.5169.9173.8150.70110.9N96 E99 K100 P101 K107 N108N96-K104 WeakPolarHBondContact O-CE 3.18Å; N96-K104 PolarHBondContact O-NZ 3.45Å; E99-K104 HydrophobicContact CB-CG 3.88Å; E99-K104 WeakPolarHBondContact O-CE 3.36Å; E99-K104 PolarHBondContact O-NZ 2.9Å; K100-K104 PolarHBondContact O-N 3.34Å; K100-K104 VanDerWaalsContact O-N 3.11Å; P101-K104 WeakPolarHBondContact O-CB 3.27Å; P101-K104 PolarHBondContact O-N 3.19Å; K104-K107 PolarHBondContact O-N 3.27Å; K104-N108 WeakPolarHBondContact O-CB 3.35Å; K104-N108 PolarHBondContact O-N 3.02Å; K104-N108 PolarHBondContact O-ND2 2.86Å
105L94.9Very high92.1Very high18 Ų1879.6 Ų79.69%0.09439%0.393CS..Hα-helixtrans-59-50.5178.3178.258.8000111.5P101 E102 Q103 K107 N108 V109 P134 I137 M138 I321 L325P101-L105 WeakPolarHBondContact O-CB 3.49Å; P101-L105 PolarHBondContact O-N 2.84Å; E102-L105 PolarHBondContact O-N 2.96Å; Q103-L105 VanDerWaalsContact C-N 3.33Å; L105-K107 VanDerWaalsContact C-N 3.26Å; L105-K107 PolarHBondContact O-N 3Å; L105-N108 PolarHBondContact O-N 3.22Å; L105-V109 HydrophobicContact CD1-CG2 4.23Å; L105-V109 WeakPolarHBondContact O-CB 3.36Å; L105-V109 VanDerWaalsContact O-CG2 3.3Å; L105-V109 WeakPolarHBondContact O-CG2 3.41Å; L105-V109 PolarHBondContact O-N 3.4Å; L105-P134 HydrophobicContact CD1-CG 3.99Å; L105-I137 HydrophobicContact CD1-CB 4.46Å; L105-I137 HydrophobicContact CD1-CG2 3.76Å; L105-I137 HydrophobicContact CD2-CG2 4.4Å; L105-M138 HydrophobicContact CD1-SD 3.83Å; L105-I321 HydrophobicContact CD2-CG2 3.67Å; L105-L325 HydrophobicContact CD1-CD1 4.4Å; L105-L325 HydrophobicContact CD2-CD1 4.07Å; L105-L325 HydrophobicContact CD2-CD2 4.45Å; L105-L325 HydrophobicContact CG-CD1 4.16Å; L105-L325 HydrophobicContact CG-CD2 4.3Å
106V95.1Very high93.1Very high61 Ų6174.1 Ų74.137%0.3736%0.359SS..Hα-helixtrans-58.1-38.7177.9172.40000111.8E102 Q103 K110 L325E102-V106 WeakPolarHBondContact O-CG2 3.21Å; E102-V106 PolarHBondContact O-N 3.23Å; Q103-V106 PolarHBondContact O-N 2.91Å; V106-K110 WeakPolarHBondContact O-CG 3.3Å; V106-K110 PolarHBondContact O-N 2.93Å; V106-K110 VanDerWaalsContact O-N 3.15Å; V106-L325 HydrophobicContact CG2-CD2 4.05Å
107K95.6Very high94Very high83 Ų8373.9 Ų73.936%0.36136%0.361SS..Hα-helixtrans-70.5-42.5176.9-71.1-175.2-179.2-171.50113V94 E99 Q103 K104 L105 V109 K110 L111V94-K107 HydrophobicContact CB-CB 4.11Å; V94-K107 HydrophobicContact CG1-CB 4.24Å; V94-K107 HydrophobicContact CG1-CD 3.99Å; V94-K107 HydrophobicContact CG2-CB 4.41Å; E99-K107 IonicContact OE1-NZ 3.6Å; E99-K107 PolarHBondContact OE1-NZ 2.95Å; E99-K107 WeakPolarHBondContact OE2-CD 3.33Å; E99-K107 WeakPolarHBondContact OE2-CE 3.41Å; E99-K107 IonicContact OE2-NZ 2.95Å; E99-K107 PolarHBondContact OE2-NZ 3.35Å; E99-K107 VanDerWaalsContact OE2-NZ 3.14Å; Q103-K107 WeakPolarHBondContact O-CG 3.18Å; Q103-K107 PolarHBondContact O-N 2.75Å; Q103-K107 VanDerWaalsContact O-N 3.15Å; K104-K107 PolarHBondContact O-N 3.27Å; L105-K107 VanDerWaalsContact C-N 3.26Å; L105-K107 PolarHBondContact O-N 3Å; K107-V109 VanDerWaalsContact C-N 3.28Å; K107-V109 PolarHBondContact O-N 3.02Å; K107-K110 PolarHBondContact O-N 3.14Å; K107-L111 PolarHBondContact O-N 2.86Å
108N97.1Very high95Very high7 Ų769.5 Ų69.54%0.03734%0.342CS..Hα-helixtrans-64.2-36.4176.4-76.4-35.4000111.8C93 V94 K104 L105 L111 Y112 M138C93-N108 VanDerWaalsContact CA-OD1 3.29Å; C93-N108 WeakPolarHBondContact CA-OD1 3.33Å; C93-N108 WeakPolarHBondContact CB-OD1 3.39Å; V94-N108 PolarHBondContact N-OD1 2.83Å; K104-N108 WeakPolarHBondContact O-CB 3.35Å; K104-N108 PolarHBondContact O-N 3.02Å; K104-N108 PolarHBondContact O-ND2 2.86Å; L105-N108 PolarHBondContact O-N 3.22Å; N108-L111 WeakPolarHBondContact O-CB 3.32Å; N108-L111 PolarHBondContact O-N 3.02Å; N108-Y112 WeakPolarHBondContact O-CB 3.37Å; N108-Y112 WeakPolarHBondContact O-CD1 3.44Å; N108-Y112 PolarHBondContact O-N 2.81Å; N108-M138 HydrophobicContact CB-CE 3.83Å; N108-M138 HydrophobicContact CB-SD 3.9Å
109V97.2Very high95.6Very high6 Ų662.3 Ų62.34%0.03630%0.304CS..Hα-helixtrans-58.9-49.2171.1159.60000111.4L105 K107 L111 Y112 Q113 V141 L325 I327L105-V109 HydrophobicContact CD1-CG2 4.23Å; L105-V109 WeakPolarHBondContact O-CB 3.36Å; L105-V109 VanDerWaalsContact O-CG2 3.3Å; L105-V109 WeakPolarHBondContact O-CG2 3.41Å; L105-V109 PolarHBondContact O-N 3.4Å; K107-V109 VanDerWaalsContact C-N 3.28Å; K107-V109 PolarHBondContact O-N 3.02Å; V109-L111 VanDerWaalsContact C-N 3.34Å; V109-L111 PolarHBondContact O-N 2.79Å; V109-Y112 PolarHBondContact O-N 2.78Å; V109-Y112 VanDerWaalsContact O-N 3.13Å; V109-Q113 WeakPolarHBondContact O-CG 3.47Å; V109-Q113 PolarHBondContact O-N 3.29Å; V109-V141 HydrophobicContact CG2-CG2 4.14Å; V109-L325 HydrophobicContact CG2-CD1 3.86Å; V109-L325 HydrophobicContact CG2-CD2 4.2Å; V109-I327 HydrophobicContact CB-CD1 4.48Å; V109-I327 HydrophobicContact CG1-CD1 3.55Å; V109-I327 HydrophobicContact CG2-CD1 4.16Å
110K96.7Very high96Very high121 Ų12162 Ų6253%0.52630%0.304SS..Hα-helixtrans-60.6-43.3176.7-72.1178.2-180-173.90111.9V106 K107 Y112 Q113 E114V106-K110 WeakPolarHBondContact O-CG 3.3Å; V106-K110 PolarHBondContact O-N 2.93Å; V106-K110 VanDerWaalsContact O-N 3.15Å; K107-K110 PolarHBondContact O-N 3.14Å; K110-Y112 VanDerWaalsContact C-N 3.3Å; K110-Y112 PolarHBondContact O-N 2.84Å; K110-Q113 WeakPolarHBondContact O-CB 3.49Å; K110-Q113 PolarHBondContact O-N 3.18Å; K110-E114 PolarHBondContact O-N 3.32Å
111L97.3Very high96.3Very high36 Ų3664 Ų6419%0.18831%0.309CS..Hα-helixtrans-57.5-44.9173.4176.965.6000111.1A92 V94 K107 N108 V109 Q113 E114 I115A92-L111 HydrophobicContact CB-CD2 4.2Å; V94-L111 HydrophobicContact CG2-CB 4.22Å; V94-L111 HydrophobicContact CG2-CD2 4.06Å; K107-L111 PolarHBondContact O-N 2.86Å; N108-L111 WeakPolarHBondContact O-CB 3.32Å; N108-L111 PolarHBondContact O-N 3.02Å; V109-L111 VanDerWaalsContact C-N 3.34Å; V109-L111 PolarHBondContact O-N 2.79Å; L111-Q113 VanDerWaalsContact C-N 3.35Å; L111-Q113 PolarHBondContact O-N 3.11Å; L111-E114 WeakPolarHBondContact O-CB 3.12Å; L111-E114 PolarHBondContact O-N 3.32Å; L111-E114 VanDerWaalsContact O-N 3.1Å; L111-I115 HydrophobicContact CD1-CG2 3.91Å; L111-I115 HydrophobicContact CG-CD1 4.21Å; L111-I115 HydrophobicContact CG-CG2 4.47Å; L111-I115 WeakPolarHBondContact O-CG1 3.18Å; L111-I115 WeakPolarHBondContact O-CG2 3.38Å; L111-I115 PolarHBondContact O-N 3.11Å
112Y98.2Very high96.7Very high0 Ų060.7 Ų60.70%028%0.284CS..Hα-helixtrans-64-38.3178.6-88.939.7000112.5V90 N108 V109 K110 E114 I115 I116 I130 T132 M138 V141 A142 L145V90-Y112 HydrophobicContact CG1-CE1 3.83Å; V90-Y112 WeakPolarHBondContact CG1-OH 3.45Å; N108-Y112 WeakPolarHBondContact O-CB 3.37Å; N108-Y112 WeakPolarHBondContact O-CD1 3.44Å; N108-Y112 PolarHBondContact O-N 2.81Å; V109-Y112 PolarHBondContact O-N 2.78Å; V109-Y112 VanDerWaalsContact O-N 3.13Å; K110-Y112 VanDerWaalsContact C-N 3.3Å; K110-Y112 PolarHBondContact O-N 2.84Å; Y112-E114 PolarHBondContact O-N 3.13Å; Y112-I115 HydrophobicContact CD1-CD1 4.16Å; Y112-I115 HydrophobicContact CE1-CD1 4.33Å; Y112-I115 PolarHBondContact O-N 2.87Å; Y112-I116 HydrophobicContact CD2-CD1 4.11Å; Y112-I116 HydrophobicContact CD2-CG1 3.86Å; Y112-I116 HydrophobicContact CE2-CD1 4.31Å; Y112-I116 HydrophobicContact CG-CG1 4.02Å; Y112-I116 WeakPolarHBondContact O-CB 3.45Å; Y112-I116 WeakPolarHBondContact O-CG1 3.26Å; Y112-I116 PolarHBondContact O-N 3.35Å; Y112-I130 HydrophobicContact CE2-CD1 4.31Å; Y112-I130 HydrophobicContact CE2-CG2 4.31Å; Y112-I130 WeakPolarHBondContact OH-CG2 3.31Å; Y112-T132 HydrophobicContact CE1-CG2 4.44Å; Y112-T132 WeakPolarHBondContact OH-CB 3.42Å; Y112-T132 PolarHBondContact OH-OG1 2.76Å; Y112-M138 HydrophobicContact CD1-CE 3.48Å; Y112-M138 VanDerWaalsContact CD1-CE 3.48Å; Y112-M138 HydrophobicContact CD2-CE 3.39Å; Y112-M138 HydrophobicContact CE1-CE 3.6Å; Y112-M138 HydrophobicContact CE2-CB 4.02Å; Y112-M138 HydrophobicContact CE2-CE 3.5Å; Y112-M138 VanDerWaalsContact CE2-CE 3.5Å; Y112-M138 WeakPolarHBondContact CE2-O 3.46Å; Y112-M138 HydrophobicContact CG-CE 3.39Å; Y112-V141 HydrophobicContact CD2-CG1 4.17Å; Y112-A142 HydrophobicContact CD2-CB 4.11Å; Y112-A142 HydrophobicContact CE2-CB 4.02Å; Y112-L145 VanDerWaalsContact C-CD1 3.49Å
113Q97.6Very high97.1Very high94 Ų9453.5 Ų53.544%0.43925%0.251SS..Hα-helixtrans-58.4-31173.3-71.9172-27.900112.3V109 K110 L111 P117 L145V109-Q113 WeakPolarHBondContact O-CG 3.47Å; V109-Q113 PolarHBondContact O-N 3.29Å; K110-Q113 WeakPolarHBondContact O-CB 3.49Å; K110-Q113 PolarHBondContact O-N 3.18Å; L111-Q113 VanDerWaalsContact C-N 3.35Å; L111-Q113 PolarHBondContact O-N 3.11Å; Q113-P117 WeakPolarHBondContact O-CD 3.48Å; Q113-P117 WeakPolarHBondContact O-CG 3.4Å; Q113-L145 HydrophobicContact CG-CD1 4.04Å; Q113-L145 HydrophobicContact CG-CD2 3.92Å
114E97.2Very high97.4Very high121 Ų12151.7 Ų51.757%0.56525%0.248SC*.Hα-helixtrans-83.9-39.3178.3-66.4174.6-16400113.4K110 L111 Y112 K118K110-E114 PolarHBondContact O-N 3.32Å; L111-E114 WeakPolarHBondContact O-CB 3.12Å; L111-E114 PolarHBondContact O-N 3.32Å; L111-E114 VanDerWaalsContact O-N 3.1Å; Y112-E114 PolarHBondContact O-N 3.13Å; E114-K118 WeakPolarHBondContact O-CD 3.33Å; E114-K118 WeakPolarHBondContact O-CE 3.27Å; E114-K118 WeakPolarHBondContact O-CG 3.37Å
115I98.2Very high97.5Very high11 Ų1156.2 Ų56.26%0.05627%0.27CS..Hα-helixtrans-95.1-39.1-170.272.2179.9000113.7V24 F79 V90 A92 L111 Y112 K118 L119V24-I115 HydrophobicContact CG1-CD1 4.24Å; F79-I115 HydrophobicContact CE1-CB 4.02Å; F79-I115 HydrophobicContact CE1-CG2 4.32Å; F79-I115 HydrophobicContact CZ-CB 3.83Å; F79-I115 HydrophobicContact CZ-CG2 3.65Å; V90-I115 HydrophobicContact CG1-CD1 4.02Å; A92-I115 HydrophobicContact CB-CD1 4.21Å; L111-I115 HydrophobicContact CD1-CG2 3.91Å; L111-I115 HydrophobicContact CG-CD1 4.21Å; L111-I115 HydrophobicContact CG-CG2 4.47Å; L111-I115 WeakPolarHBondContact O-CG1 3.18Å; L111-I115 WeakPolarHBondContact O-CG2 3.38Å; L111-I115 PolarHBondContact O-N 3.11Å; Y112-I115 HydrophobicContact CD1-CD1 4.16Å; Y112-I115 HydrophobicContact CE1-CD1 4.33Å; Y112-I115 PolarHBondContact O-N 2.87Å; I115-K118 PolarHBondContact O-N 2.87Å; I115-L119 HydrophobicContact CB-CD1 4.48Å; I115-L119 HydrophobicContact CG1-CD1 4.4Å; I115-L119 VanDerWaalsContact O-CG 3.3Å; I115-L119 WeakPolarHBondContact O-CG 3.44Å; I115-L119 PolarHBondContact O-N 3.05Å
116I98.6Very high97.7Very high0 Ų055.4 Ų55.40%027%0.265CS..Hα-helixtrans-62.4-46.8-173.4-62.9-66.5000111.5V90 Y112 K118 L119 V120 L128 A142 L145V90-I116 HydrophobicContact CG2-CD1 4.22Å; Y112-I116 HydrophobicContact CD2-CD1 4.11Å; Y112-I116 HydrophobicContact CD2-CG1 3.86Å; Y112-I116 HydrophobicContact CE2-CD1 4.31Å; Y112-I116 HydrophobicContact CG-CG1 4.02Å; Y112-I116 WeakPolarHBondContact O-CB 3.45Å; Y112-I116 WeakPolarHBondContact O-CG1 3.26Å; Y112-I116 PolarHBondContact O-N 3.35Å; I116-K118 VanDerWaalsContact C-N 3.29Å; I116-K118 PolarHBondContact O-N 3.33Å; I116-L119 HydrophobicContact CD1-CD1 4.36Å; I116-L119 PolarHBondContact O-N 2.95Å; I116-V120 HydrophobicContact CG2-CG2 4.4Å; I116-V120 WeakPolarHBondContact O-CG2 3.43Å; I116-V120 PolarHBondContact O-N 3.25Å; I116-L128 HydrophobicContact CG2-CD1 4.47Å; I116-A142 HydrophobicContact CD1-CB 4.03Å; I116-A142 HydrophobicContact CG1-CB 4.37Å; I116-L145 HydrophobicContact CB-CB 4.08Å; I116-L145 HydrophobicContact CG2-CB 3.85Å
117P98.5Very high97.9Very high57 Ų5752.7 Ų52.737%0.3725%0.249SC..Hα-helixtrans-60-36.2177-26.137000113.7Q113 Y121Q113-P117 WeakPolarHBondContact O-CD 3.48Å; Q113-P117 WeakPolarHBondContact O-CG 3.4Å; P117-Y121 WeakPolarHBondContact O-CB 3.42Å; P117-Y121 PolarHBondContact O-N 2.98Å
118K98.5Very high98Very high102 Ų10248.8 Ų48.844%0.44323%0.232SC..Hα-helixtrans-68.1-45177.7-63.8177.7-174.9173.90111.3F79 E114 I115 I116 V120 Y121 H122F79-K118 HydrophobicContact CB-CB 4.22Å; F79-K118 HydrophobicContact CD1-CB 4.15Å; F79-K118 HydrophobicContact CD2-CB 4.16Å; F79-K118 HydrophobicContact CD2-CD 3.61Å; F79-K118 HydrophobicContact CE2-CD 3.75Å; F79-K118 HydrophobicContact CG-CB 3.9Å; F79-K118 HydrophobicContact CG-CD 4.23Å; F79-K118 HydrophobicContact CZ-CD 4.47Å; E114-K118 WeakPolarHBondContact O-CD 3.33Å; E114-K118 WeakPolarHBondContact O-CE 3.27Å; E114-K118 WeakPolarHBondContact O-CG 3.37Å; I115-K118 PolarHBondContact O-N 2.87Å; I116-K118 VanDerWaalsContact C-N 3.29Å; I116-K118 PolarHBondContact O-N 3.33Å; K118-V120 VanDerWaalsContact C-N 3.3Å; K118-V120 PolarHBondContact O-N 3.01Å; K118-Y121 WeakPolarHBondContact O-CB 3.27Å; K118-Y121 PolarHBondContact O-N 3.1Å; K118-H122 PolarHBondContact O-CD2 3.16Å; K118-H122 PolarHBondContact O-N 3.06Å; K118-H122 VanDerWaalsContact O-N 3.09Å
119L98.6Very high98.1Very high0 Ų048.4 Ų48.40%023%0.23CC..Hα-helixtrans-59.3-43.6176.7-67.2164.6000111.4V24 F79 T82 V88 V90 I115 I116 H122 S123V24-L119 HydrophobicContact CG2-CD1 3.91Å; V24-L119 HydrophobicContact CG2-CD2 3.6Å; V24-L119 HydrophobicContact CG2-CG 4.41Å; F79-L119 HydrophobicContact CD1-CD2 3.59Å; F79-L119 HydrophobicContact CD1-CG 3.94Å; F79-L119 HydrophobicContact CE1-CD2 3.82Å; F79-L119 HydrophobicContact CE1-CG 3.93Å; T82-L119 HydrophobicContact CG2-CD2 3.9Å; V88-L119 HydrophobicContact CG1-CB 4.41Å; V88-L119 HydrophobicContact CG1-CD1 3.97Å; V88-L119 HydrophobicContact CG1-CD2 3.88Å; V88-L119 HydrophobicContact CG1-CG 4.3Å; V90-L119 HydrophobicContact CG2-CD1 4.21Å; I115-L119 HydrophobicContact CB-CD1 4.48Å; I115-L119 HydrophobicContact CG1-CD1 4.4Å; I115-L119 VanDerWaalsContact O-CG 3.3Å; I115-L119 WeakPolarHBondContact O-CG 3.44Å; I115-L119 PolarHBondContact O-N 3.05Å; I116-L119 HydrophobicContact CD1-CD1 4.36Å; I116-L119 PolarHBondContact O-N 2.95Å; L119-H122 PolarHBondContact O-N 3.28Å; L119-S123 WeakPolarHBondContact O-CB 3.4Å; L119-S123 PolarHBondContact O-N 3.49Å
120V98.4Very high98.2Very high24 Ų2448.1 Ų48.115%0.14523%0.228CC..Hα-helixtrans-66.7-37.6177.2169.10000112.2I116 K118 S123 P124 L128 F148I116-V120 HydrophobicContact CG2-CG2 4.4Å; I116-V120 WeakPolarHBondContact O-CG2 3.43Å; I116-V120 PolarHBondContact O-N 3.25Å; K118-V120 VanDerWaalsContact C-N 3.3Å; K118-V120 PolarHBondContact O-N 3.01Å; V120-S123 CarbonylContact O-C 3.52Å; V120-S123 PolarHBondContact O-N 2.88Å; V120-P124 VanDerWaalsContact O-CA 3.25Å; V120-P124 WeakPolarHBondContact O-CA 3.37Å; V120-P124 VanDerWaalsContact O-N 3.07Å; V120-L128 HydrophobicContact CG2-CD1 4.29Å; V120-F148 HydrophobicContact CB-CE1 4.21Å; V120-F148 HydrophobicContact CB-CZ 4.2Å; V120-F148 HydrophobicContact CG1-CD1 4.16Å; V120-F148 HydrophobicContact CG1-CE1 3.4Å; V120-F148 VanDerWaalsContact CG1-CE1 3.4Å; V120-F148 HydrophobicContact CG1-CZ 3.85Å; V120-F148 HydrophobicContact CG2-CD1 4.4Å; V120-F148 HydrophobicContact CG2-CE1 3.92Å; V120-F148 HydrophobicContact CG2-CE2 4.1Å; V120-F148 HydrophobicContact CG2-CZ 3.74Å
121Y98.5Very high98.2Very high183 Ų18343 Ų4372%0.71821%0.207SC*.Hα-helixtrans-60.3-45.4175.6176-95.6000111.8P117 K118P117-Y121 WeakPolarHBondContact O-CB 3.42Å; P117-Y121 PolarHBondContact O-N 2.98Å; K118-Y121 WeakPolarHBondContact O-CB 3.27Å; K118-Y121 PolarHBondContact O-N 3.1Å
122H98.5Very high98.2Very high38 Ų3841.5 Ų41.518%0.17620%0.199CC..Hα-helixtrans-78.8-25.8179.8-71.8-71.6000113.4F79 T83 N84 K118 L119F79-H122 PolarHBondContact O-CD2 2.98Å; T83-H122 VanDerWaalsContact CA-O 3.3Å; T83-H122 WeakPolarHBondContact CA-O 3.2Å; T83-H122 PolarHBondContact OG1-ND1 3.1Å; N84-H122 PolarHBondContact N-O 3.25Å; N84-H122 VanDerWaalsContact N-O 3.13Å; K118-H122 PolarHBondContact O-CD2 3.16Å; K118-H122 PolarHBondContact O-N 3.06Å; K118-H122 VanDerWaalsContact O-N 3.09Å; L119-H122 PolarHBondContact O-N 3.28Å
123S98.3Very high98.1Very high1 Ų145.6 Ų45.61%0.00722%0.221CC..  trans-135.566.6-176.8-76.40000112.3T82 N84 S85 L119 V120 Q125 C126T82-S123 PolarHBondContact O-OG 3.38Å; N84-S123 PolarHBondContact N-OG 2.86Å; S85-S123 WeakPolarHBondContact CB-OG 3.4Å; S85-S123 PolarHBondContact N-OG 3.47Å; L119-S123 WeakPolarHBondContact O-CB 3.4Å; L119-S123 PolarHBondContact O-N 3.49Å; V120-S123 CarbonylContact O-C 3.52Å; V120-S123 PolarHBondContact O-N 2.88Å; S123-Q125 PolarHBondContact O-N 3.07Å; S123-Q125 VanDerWaalsContact O-N 3.09Å; S123-C126 PolarHBondContact O-N 3.27Å; S123-C126 VanDerWaalsContact O-N 3.16Å; S123-C126 PolarHBondContact O-SG 2.9Å
124P98Very high97.9Very high61 Ų6143.6 Ų43.640%0.39622%0.217SC..THydrogen-bonded Turntrans-66.3-16.8-174.626.6-36.1000113.8V120 F148 R152V120-P124 VanDerWaalsContact O-CA 3.25Å; V120-P124 WeakPolarHBondContact O-CA 3.37Å; V120-P124 VanDerWaalsContact O-N 3.07Å; P124-F148 WeakPolarHBondContact O-CE1 3.49Å; P124-F148 WeakPolarHBondContact O-CZ 3.45Å; P124-R152 PolarHBondContact O-NH1 3.25Å; P124-R152 PolarHBondContact O-NH2 2.98Å
125Q97.1Very high97.9Very high157 Ų15737.9 Ų37.973%0.73419%0.19SC*.THydrogen-bonded Turntrans-97.3-7.9179.7-61-53.8-33.800114.4S123 R152S123-Q125 PolarHBondContact O-N 3.07Å; S123-Q125 VanDerWaalsContact O-N 3.09Å; Q125-R152 VanDerWaalsContact C-NH1 3.31Å; Q125-R152 VanDerWaalsContact CA-NH1 3.26Å; Q125-R152 PolarHBondContact O-NH1 3.04Å
126C98.3Very high97.9Very high0 Ų037.6 Ų37.60%019%0.188CC..  trans-68.4163.9-17373.50000114.2S85 D86 V88 S123 F148S85-C126 WeakPolarHBondContact O-CB 3.47Å; D86-C126 CarbonylContact O-C 3.52Å; D86-C126 VanDerWaalsContact O-CA 3.27Å; D86-C126 WeakPolarHBondContact O-CA 3.5Å; V88-C126 HydrophobicContact CG2-CB 4.03Å; S123-C126 PolarHBondContact O-N 3.27Å; S123-C126 VanDerWaalsContact O-N 3.16Å; S123-C126 PolarHBondContact O-SG 2.9Å; C126-F148 VanDerWaalsContact O-CE2 3.25Å; C126-F148 WeakPolarHBondContact O-CE2 3.45Å
127V98.7Very high97.8Very high5 Ų537.7 Ų37.73%0.0319%0.189CC..EExtended strand (participates in β ladder)trans-92.9133158.7173.10000109.2D86 I87 V88 R152 F154 I258D86-V127 PolarHBondContact O-N 3.12Å; I87-V127 WeakPolarHBondContact CA-O 3.48Å; V88-V127 PolarHBondContact N-O 3.12Å; V127-R152 HydrophobicContact CG2-CB 4.48Å; V127-R152 HydrophobicContact CG2-CG 4.43Å; V127-F154 HydrophobicContact CG1-CD1 4.11Å; V127-F154 HydrophobicContact CG1-CE1 3.24Å; V127-F154 HydrophobicContact CG1-CZ 3.66Å; V127-I258 HydrophobicContact CG1-CD1 4.21Å
128L98.8Very high97.8Very high0 Ų035 Ų350%017%0.171CC..EExtended strand (participates in β ladder)trans-93.6115.4172.4-71.3168.4000110.1V88 V90 I116 V120 I130 F148 R152 V153 F154V88-L128 HydrophobicContact CB-CD2 3.84Å; V88-L128 HydrophobicContact CG1-CD2 3.9Å; V90-L128 HydrophobicContact CG2-CD2 4.37Å; I116-L128 HydrophobicContact CG2-CD1 4.47Å; V120-L128 HydrophobicContact CG2-CD1 4.29Å; L128-I130 HydrophobicContact CB-CD1 4.44Å; L128-F148 HydrophobicContact CD1-CD2 3.94Å; L128-F148 HydrophobicContact CD1-CE2 4.11Å; L128-F148 HydrophobicContact CG-CD2 4.3Å; L128-F148 HydrophobicContact CG-CE2 4.2Å; L128-R152 PolarHBondContact N-O 3.49Å; L128-V153 HydrophobicContact CB-CG1 4.18Å; L128-V153 HydrophobicContact CB-CG2 4.27Å; L128-V153 HydrophobicContact CD1-CG2 4.09Å; L128-F154 PolarHBondContact O-N 2.78Å; L128-F154 VanDerWaalsContact O-N 3.14Å
129L98.9Very high97.8Very high0 Ų030.1 Ų30.10%015%0.15CC..EExtended strand (participates in β ladder)trans-102.3113.2171.6176.659.2000109.9I87 V88 V89 V90 F154 T156 C251 I254I87-L129 HydrophobicContact CG2-CB 4.48Å; V88-L129 PolarHBondContact O-N 2.97Å; V89-L129 CarbonylContact C-O 3.56Å; V89-L129 WeakPolarHBondContact CA-O 3.34Å; V89-L129 HydrophobicContact CG1-CD2 4.24Å; V89-L129 HydrophobicContact CG1-CG 4.34Å; V89-L129 HydrophobicContact CG2-CB 4.34Å; V89-L129 HydrophobicContact CG2-CD2 4.19Å; V90-L129 PolarHBondContact N-O 3.04Å; L129-F154 WeakPolarHBondContact CA-O 3.48Å; L129-F154 HydrophobicContact CD1-CD2 3.81Å; L129-F154 HydrophobicContact CD1-CE2 3.74Å; L129-T156 HydrophobicContact CD1-CG2 4.01Å; L129-T156 HydrophobicContact CG-CG2 4.45Å; L129-C251 HydrophobicContact CD2-CB 4.22Å; L129-I254 HydrophobicContact CD1-CD1 4.23Å; L129-I254 HydrophobicContact CD1-CG2 4.25Å; L129-I254 HydrophobicContact CD2-CB 4.34Å; L129-I254 HydrophobicContact CD2-CG2 3.92Å
130I98.8Very high97.8Very high0 Ų030.4 Ų30.40%015%0.151CC..EExtended strand (participates in β ladder)trans-95.4126.7-176.2-54.2-53.9000110.8V90 Y112 L128 V135 M138 T139 A142 V153 F154 G155 T156V90-I130 HydrophobicContact CB-CD1 3.84Å; V90-I130 HydrophobicContact CG2-CD1 3.84Å; Y112-I130 HydrophobicContact CE2-CD1 4.31Å; Y112-I130 HydrophobicContact CE2-CG2 4.31Å; Y112-I130 WeakPolarHBondContact OH-CG2 3.31Å; L128-I130 HydrophobicContact CB-CD1 4.44Å; I130-V135 HydrophobicContact CG2-CG2 4.44Å; I130-V135 WeakPolarHBondContact O-CG2 3.32Å; I130-M138 HydrophobicContact CG2-CB 4Å; I130-T139 WeakPolarHBondContact CB-OG1 3.49Å; I130-T139 HydrophobicContact CG1-CG2 4.39Å; I130-A142 HydrophobicContact CD1-CB 3.66Å; I130-A142 HydrophobicContact CG1-CB 3.91Å; I130-V153 HydrophobicContact CG1-CG1 4.47Å; I130-F154 PolarHBondContact N-O 2.89Å; I130-G155 CarbonylContact O-C 3.56Å; I130-G155 WeakPolarHBondContact O-CA 3.47Å; I130-T156 PolarHBondContact O-N 3.48Å
131V98.4Very high97.8Very high12 Ų1229.2 Ų29.27%0.07314%0.144CC..  trans-114.7-25.4179-170.40000111.3V29 I33 V89 V90 T91 N133 T156 I247V29-V131 HydrophobicContact CG1-CG1 3.85Å; I33-V131 HydrophobicContact CD1-CG2 4.22Å; V89-V131 HydrophobicContact CG1-CG2 3.61Å; V90-V131 WeakPolarHBondContact O-CB 3.19Å; V90-V131 PolarHBondContact O-N 3.32Å; T91-V131 HydrophobicContact CG2-CB 4.11Å; T91-V131 HydrophobicContact CG2-CG2 4.1Å; V131-N133 PolarHBondContact O-N 3.15Å; V131-T156 HydrophobicContact CB-CG2 4.47Å; V131-T156 HydrophobicContact CG1-CG2 4.46Å; V131-T156 HydrophobicContact CG2-CG2 3.89Å; V131-I247 HydrophobicContact CG1-CD1 4.09Å; V131-I247 HydrophobicContact CG1-CG1 3.7Å
132T97.1Very high97.8Very high5 Ų520.5 Ų20.53%0.03111%0.11CC..SBendtrans-59.5126.7-176.9-54.90000112.3V90 A92 C93 Y112 V135 M138V90-T132 PolarHBondContact O-N 3.23Å; V90-T132 PolarHBondContact O-OG1 3.5Å; A92-T132 PolarHBondContact O-OG1 3.44Å; C93-T132 HydrophobicContact CB-CG2 3.6Å; Y112-T132 HydrophobicContact CE1-CG2 4.44Å; Y112-T132 WeakPolarHBondContact OH-CB 3.42Å; Y112-T132 PolarHBondContact OH-OG1 2.76Å; T132-V135 VanDerWaalsContact O-CA 3.25Å; T132-V135 WeakPolarHBondContact O-CA 3.43Å; T132-V135 PolarHBondContact O-N 2.95Å; T132-M138 HydrophobicContact CG2-CG 4.13Å; T132-M138 WeakPolarHBondContact O-CB 3.26Å; T132-M138 WeakPolarHBondContact O-CG 3.49Å
133N94.3Very high97.7Very high87 Ų8719.3 Ų19.347%0.46511%0.107SC..SBendtrans-81.6148.7175.5-77.1-39.7000113.4V131 V135 L188V131-N133 PolarHBondContact O-N 3.15Å; N133-V135 PolarHBondContact OD1-N 2.88Å; N133-L188 WeakPolarHBondContact OD1-CD2 3.44Å
134P94.8Very high97.7Very high52 Ų5223.7 Ų23.734%0.33813%0.126SC..SBendcis-72.2117.5-4.527.5-31.7000111.6L105 D136 I137 M138L105-P134 HydrophobicContact CD1-CG 3.99Å; P134-D136 VanDerWaalsContact C-N 3.32Å; P134-D136 PolarHBondContact O-N 3.43Å; P134-I137 HydrophobicContact CG-CB 4.12Å; P134-I137 HydrophobicContact CG-CG1 4.24Å; P134-I137 PolarHBondContact O-N 3.32Å; P134-M138 WeakPolarHBondContact O-CG 3.35Å; P134-M138 PolarHBondContact O-N 3.26Å
135V97.3Very high97.7Very high1 Ų122.9 Ų22.91%0.00612%0.118CC..Hα-helixtrans-62.8-38.4-161.467.40000112.8I130 T132 N133 M138 T139 L188I130-V135 HydrophobicContact CG2-CG2 4.44Å; I130-V135 WeakPolarHBondContact O-CG2 3.32Å; T132-V135 VanDerWaalsContact O-CA 3.25Å; T132-V135 WeakPolarHBondContact O-CA 3.43Å; T132-V135 PolarHBondContact O-N 2.95Å; N133-V135 PolarHBondContact OD1-N 2.88Å; V135-M138 PolarHBondContact O-N 3.1Å; V135-T139 VanDerWaalsContact O-CB 3.25Å; V135-T139 WeakPolarHBondContact O-CB 3.13Å; V135-T139 PolarHBondContact O-N 3.24Å; V135-T139 PolarHBondContact O-OG1 3.23Å; V135-L188 HydrophobicContact CB-CD2 4.49Å; V135-L188 HydrophobicContact CG1-CB 3.96Å; V135-L188 HydrophobicContact CG1-CD2 3.63Å; V135-L188 HydrophobicContact CG1-CG 4.42Å
136D97.7Very high97.7Very high4 Ų416 Ų162%0.0219%0.087CC..Hα-helixtrans-62.9-47.8-179.9-63-57.8000111.6P134 H140 L188 S269 F283 Q318P134-D136 VanDerWaalsContact C-N 3.32Å; P134-D136 PolarHBondContact O-N 3.43Å; D136-H140 PolarHBondContact O-N 3.13Å; D136-H140 VanDerWaalsContact O-N 3.12Å; D136-L188 PolarHBondContact OD2-N 3.04Å; D136-S269 WeakPolarHBondContact OD1-CB 3.38Å; D136-S269 PolarHBondContact OD1-OG 2.91Å; D136-F283 WeakPolarHBondContact CB-O 3.36Å; D136-F283 WeakPolarHBondContact O-CB 3.34Å; D136-Q318 PolarHBondContact O-NE2 3.43Å
137I97.1Very high97.7Very high3 Ų319.1 Ų19.12%0.01512%0.12CC..Hα-helixtrans-66.9-46.6176.4-58.1-72.7000110.8L105 P134 T139 H140 V141 Q318 I321 V322 L325L105-I137 HydrophobicContact CD1-CB 4.46Å; L105-I137 HydrophobicContact CD1-CG2 3.76Å; L105-I137 HydrophobicContact CD2-CG2 4.4Å; P134-I137 HydrophobicContact CG-CB 4.12Å; P134-I137 HydrophobicContact CG-CG1 4.24Å; P134-I137 PolarHBondContact O-N 3.32Å; I137-T139 PolarHBondContact O-N 2.91Å; I137-H140 WeakPolarHBondContact O-CB 3.38Å; I137-H140 PolarHBondContact O-N 2.89Å; I137-H140 VanDerWaalsContact O-N 3.12Å; I137-V141 HydrophobicContact CG2-CG2 4.32Å; I137-V141 VanDerWaalsContact O-CG2 3.32Å; I137-V141 WeakPolarHBondContact O-CG2 3.21Å; I137-V141 PolarHBondContact O-N 2.85Å; I137-Q318 HydrophobicContact CD1-CB 4.28Å; I137-Q318 HydrophobicContact CD1-CG 3.31Å; I137-Q318 HydrophobicContact CG1-CG 4.42Å; I137-I321 HydrophobicContact CD1-CB 3.93Å; I137-I321 HydrophobicContact CD1-CD1 4.12Å; I137-I321 HydrophobicContact CD1-CG2 3.75Å; I137-I321 HydrophobicContact CG1-CG2 4.37Å; I137-I321 HydrophobicContact CG2-CG2 4.3Å; I137-V322 HydrophobicContact CD1-CG2 4.3Å; I137-L325 HydrophobicContact CG2-CD1 4.1Å
138M98.1Very high97.7Very high0 Ų020 Ų200%012%0.123CC..Hα-helixtrans-65.5-30.4-178.1-64.7-51.9-53.700111.9L105 N108 Y112 I130 T132 P134 V135 V141 A142L105-M138 HydrophobicContact CD1-SD 3.83Å; N108-M138 HydrophobicContact CB-CE 3.83Å; N108-M138 HydrophobicContact CB-SD 3.9Å; Y112-M138 HydrophobicContact CD1-CE 3.48Å; Y112-M138 VanDerWaalsContact CD1-CE 3.48Å; Y112-M138 HydrophobicContact CD2-CE 3.39Å; Y112-M138 HydrophobicContact CE1-CE 3.6Å; Y112-M138 HydrophobicContact CE2-CB 4.02Å; Y112-M138 HydrophobicContact CE2-CE 3.5Å; Y112-M138 VanDerWaalsContact CE2-CE 3.5Å; Y112-M138 WeakPolarHBondContact CE2-O 3.46Å; Y112-M138 HydrophobicContact CG-CE 3.39Å; I130-M138 HydrophobicContact CG2-CB 4Å; T132-M138 HydrophobicContact CG2-CG 4.13Å; T132-M138 WeakPolarHBondContact O-CB 3.26Å; T132-M138 WeakPolarHBondContact O-CG 3.49Å; P134-M138 WeakPolarHBondContact O-CG 3.35Å; P134-M138 PolarHBondContact O-N 3.26Å; V135-M138 PolarHBondContact O-N 3.1Å; M138-V141 PolarHBondContact O-N 3.05Å; M138-A142 WeakPolarHBondContact O-CB 3.35Å; M138-A142 PolarHBondContact O-N 2.88Å
139T98.6Very high97.6Very high0 Ų022.8 Ų22.80%014%0.141CC..Hα-helixtrans-67.1-44.6172-54.80000111.3I130 V135 I137 V141 A142 A143 V153 G155 F283I130-T139 WeakPolarHBondContact CB-OG1 3.49Å; I130-T139 HydrophobicContact CG1-CG2 4.39Å; V135-T139 VanDerWaalsContact O-CB 3.25Å; V135-T139 WeakPolarHBondContact O-CB 3.13Å; V135-T139 PolarHBondContact O-N 3.24Å; V135-T139 PolarHBondContact O-OG1 3.23Å; I137-T139 PolarHBondContact O-N 2.91Å; T139-V141 VanDerWaalsContact C-N 3.32Å; T139-V141 PolarHBondContact O-N 3.46Å; T139-A142 PolarHBondContact O-N 2.93Å; T139-A143 WeakPolarHBondContact O-CB 3.37Å; T139-A143 PolarHBondContact O-N 2.87Å; T139-V153 HydrophobicContact CG2-CG1 4.2Å; T139-G155 VanDerWaalsContact OG1-CA 3.31Å; T139-G155 WeakPolarHBondContact OG1-CA 3.28Å; T139-G155 PolarHBondContact OG1-N 3.42Å; T139-F283 HydrophobicContact CG2-CD1 3.35Å; T139-F283 HydrophobicContact CG2-CE1 3.65Å; T139-F283 HydrophobicContact CG2-CG 4.16Å
140H97.9Very high97.5Very high5 Ų526.8 Ų26.82%0.02316%0.158CC..Hα-helixtrans-57.2-48173.6-165.9142.1000111.1D136 I137 A142 A143 K144 D281 F283 V322D136-H140 PolarHBondContact O-N 3.13Å; D136-H140 VanDerWaalsContact O-N 3.12Å; I137-H140 WeakPolarHBondContact O-CB 3.38Å; I137-H140 PolarHBondContact O-N 2.89Å; I137-H140 VanDerWaalsContact O-N 3.12Å; H140-A142 PolarHBondContact O-N 3.4Å; H140-A143 PolarHBondContact O-N 2.81Å; H140-K144 WeakPolarHBondContact NE2-CE 3.49Å; H140-K144 PolarHBondContact O-N 2.9Å; H140-D281 PolarHBondContact CE1-O 2.96Å; H140-D281 PolarHBondContact ND1-O 3.37Å; H140-F283 VanDerWaalsContact CA-CD2 3.48Å; H140-F283 HydrophobicContact CB-CB 4.45Å; H140-F283 HydrophobicContact CB-CD2 3.55Å; H140-F283 HydrophobicContact CB-CE2 4.12Å; H140-F283 HydrophobicContact CB-CG 4.22Å; H140-F283 AromaticContact CG-CD2 3.7Å; H140-F283 AromaticContact ND1-CD2 3.86Å; H140-V322 HydrophobicContact CB-CG2 4.37Å
141V98Very high97.4Very high0 Ų030.5 Ų30.50%018%0.176CC..Hα-helixtrans-60.2-47.1178.71720000111.3V109 Y112 I137 M138 T139 A143 K144 L145 I327V109-V141 HydrophobicContact CG2-CG2 4.14Å; Y112-V141 HydrophobicContact CD2-CG1 4.17Å; I137-V141 HydrophobicContact CG2-CG2 4.32Å; I137-V141 VanDerWaalsContact O-CG2 3.32Å; I137-V141 WeakPolarHBondContact O-CG2 3.21Å; I137-V141 PolarHBondContact O-N 2.85Å; M138-V141 PolarHBondContact O-N 3.05Å; T139-V141 VanDerWaalsContact C-N 3.32Å; T139-V141 PolarHBondContact O-N 3.46Å; V141-A143 VanDerWaalsContact C-N 3.33Å; V141-A143 PolarHBondContact O-N 3.48Å; V141-K144 PolarHBondContact O-N 3.07Å; V141-L145 HydrophobicContact CG1-CD1 3.56Å; V141-L145 HydrophobicContact CG1-CG 4.27Å; V141-L145 WeakPolarHBondContact O-CB 3.38Å; V141-L145 VanDerWaalsContact O-CG 3.27Å; V141-L145 WeakPolarHBondContact O-CG 3.4Å; V141-L145 PolarHBondContact O-N 2.81Å; V141-I327 HydrophobicContact CB-CD1 4.28Å; V141-I327 HydrophobicContact CG1-CD1 3.82Å; V141-I327 HydrophobicContact CG2-CD1 3.61Å
142A98.6Very high97.5Very high0 Ų031.5 Ų31.50%018%0.178CC..Hα-helixtrans-61.2-39.817600000112.4Y112 I116 I130 M138 T139 H140 K144 L145 S146 V153Y112-A142 HydrophobicContact CD2-CB 4.11Å; Y112-A142 HydrophobicContact CE2-CB 4.02Å; I116-A142 HydrophobicContact CD1-CB 4.03Å; I116-A142 HydrophobicContact CG1-CB 4.37Å; I130-A142 HydrophobicContact CD1-CB 3.66Å; I130-A142 HydrophobicContact CG1-CB 3.91Å; M138-A142 WeakPolarHBondContact O-CB 3.35Å; M138-A142 PolarHBondContact O-N 2.88Å; T139-A142 PolarHBondContact O-N 2.93Å; H140-A142 PolarHBondContact O-N 3.4Å; A142-K144 PolarHBondContact O-N 2.92Å; A142-L145 PolarHBondContact O-N 3.45Å; A142-S146 WeakPolarHBondContact O-CB 3.42Å; A142-S146 PolarHBondContact O-N 3.37Å; A142-S146 PolarHBondContact O-OG 2.87Å; A142-V153 HydrophobicContact CB-CG1 4.06Å
143A98.1Very high97.5Very high13 Ų1331.3 Ų31.311%0.10718%0.177CC..Hα-helixtrans-63.3-42.1178.500000111.6T139 H140 V141 S146 G147 V153 F283T139-A143 WeakPolarHBondContact O-CB 3.37Å; T139-A143 PolarHBondContact O-N 2.87Å; H140-A143 PolarHBondContact O-N 2.81Å; V141-A143 VanDerWaalsContact C-N 3.33Å; V141-A143 PolarHBondContact O-N 3.48Å; A143-S146 PolarHBondContact O-OG 2.86Å; A143-G147 PolarHBondContact O-N 2.83Å; A143-V153 HydrophobicContact CB-CB 4.07Å; A143-V153 HydrophobicContact CB-CG1 3.94Å; A143-V153 HydrophobicContact CB-CG2 4.45Å; A143-F283 HydrophobicContact CB-CE1 4.23Å; A143-F283 HydrophobicContact CB-CE2 3.92Å; A143-F283 HydrophobicContact CB-CZ 3.4Å; A143-F283 VanDerWaalsContact CB-CZ 3.4Å
144K97.2Very high97.7Very high92 Ų9227.1 Ų27.140%0.416%0.155SC..Hα-helixtrans-68-45.9175.8-74.8-171.1167.81770112.9H140 V141 A142 I327H140-K144 WeakPolarHBondContact NE2-CE 3.49Å; H140-K144 PolarHBondContact O-N 2.9Å; V141-K144 PolarHBondContact O-N 3.07Å; A142-K144 PolarHBondContact O-N 2.92Å; K144-I327 HydrophobicContact CB-CG2 3.87Å; K144-I327 HydrophobicContact CD-CB 4.37Å; K144-I327 HydrophobicContact CD-CG2 3.53Å; K144-I327 WeakPolarHBondContact CD-OXT 3.36Å; K144-I327 WeakPolarHBondContact CE-OXT 3.33Å; K144-I327 HydrophobicContact CG-CG2 4.34Å; K144-I327 PolarHBondContact NZ-O 2.93Å; K144-I327 PolarHBondContact NZ-OXT 2.85Å
145L97.8Very high97.9Very high45 Ų4524.7 Ų24.724%0.23614%0.138CC..Hα-helixtrans-71.6-29.4-177-67.6172000113.5Y112 Q113 I116 V141 A142Y112-L145 VanDerWaalsContact C-CD1 3.49Å; Q113-L145 HydrophobicContact CG-CD1 4.04Å; Q113-L145 HydrophobicContact CG-CD2 3.92Å; I116-L145 HydrophobicContact CB-CB 4.08Å; I116-L145 HydrophobicContact CG2-CB 3.85Å; V141-L145 HydrophobicContact CG1-CD1 3.56Å; V141-L145 HydrophobicContact CG1-CG 4.27Å; V141-L145 WeakPolarHBondContact O-CB 3.38Å; V141-L145 VanDerWaalsContact O-CG 3.27Å; V141-L145 WeakPolarHBondContact O-CG 3.4Å; V141-L145 PolarHBondContact O-N 2.81Å; A142-L145 PolarHBondContact O-N 3.45Å
146S98.1Very high98Very high12 Ų1224.9 Ų24.98%0.08414%0.14CC..Hα-helixtrans-77.7-28.7179.758.30000113.5A142 A143 F148A142-S146 WeakPolarHBondContact O-CB 3.42Å; A142-S146 PolarHBondContact O-N 3.37Å; A142-S146 PolarHBondContact O-OG 2.87Å; A143-S146 PolarHBondContact O-OG 2.86Å; S146-F148 PolarHBondContact O-N 3.39Å; S146-F148 PolarHBondContact OG-N 2.92Å
147G97.2Very high98Very high66 Ų6624.9 Ų24.968%0.6814%0.14SC*.  trans64.712.2-17000000113.7A143A143-G147 PolarHBondContact O-N 2.83Å
148F98.3Very high98Very high22 Ų2224.7 Ų24.710%0.09614%0.14CC..  trans-71.7154.1178.6-80.31.1000112V120 P124 C126 L128 S146 K150 R152 V153V120-F148 HydrophobicContact CB-CE1 4.21Å; V120-F148 HydrophobicContact CB-CZ 4.2Å; V120-F148 HydrophobicContact CG1-CD1 4.16Å; V120-F148 HydrophobicContact CG1-CE1 3.4Å; V120-F148 VanDerWaalsContact CG1-CE1 3.4Å; V120-F148 HydrophobicContact CG1-CZ 3.85Å; V120-F148 HydrophobicContact CG2-CD1 4.4Å; V120-F148 HydrophobicContact CG2-CE1 3.92Å; V120-F148 HydrophobicContact CG2-CE2 4.1Å; V120-F148 HydrophobicContact CG2-CZ 3.74Å; P124-F148 WeakPolarHBondContact O-CE1 3.49Å; P124-F148 WeakPolarHBondContact O-CZ 3.45Å; C126-F148 VanDerWaalsContact O-CE2 3.25Å; C126-F148 WeakPolarHBondContact O-CE2 3.45Å; L128-F148 HydrophobicContact CD1-CD2 3.94Å; L128-F148 HydrophobicContact CD1-CE2 4.11Å; L128-F148 HydrophobicContact CG-CD2 4.3Å; L128-F148 HydrophobicContact CG-CE2 4.2Å; S146-F148 PolarHBondContact O-N 3.39Å; S146-F148 PolarHBondContact OG-N 2.92Å; F148-K150 PolarHBondContact O-N 3.41Å; F148-R152 HydrophobicContact CB-CB 4.49Å; F148-R152 HydrophobicContact CD2-CB 4.21Å; F148-R152 VanDerWaalsContact CE1-NH2 3.29Å; F148-V153 HydrophobicContact CB-CG2 3.78Å; F148-V153 HydrophobicContact CD2-CG2 4.21Å; F148-V153 HydrophobicContact CG-CG2 4.49Å
149P97.7Very high98Very high59 Ų5925.4 Ų25.438%0.38314%0.143SC..  trans-59.3138.6165.129.1-35.8000109.3H151 R152P149-H151 PolarHBondContact O-N 3.19Å; P149-R152 HydrophobicContact CG-CG 4.15Å; P149-R152 PolarHBondContact O-N 2.77Å
150K96.4Very high97.9Very high84 Ų8426.3 Ų26.337%0.36515%0.148SC..G310 helixtrans-53.1-30.5-171-69.4167.1173177.30114.3F148 R152 V153 C271 D281F148-K150 PolarHBondContact O-N 3.41Å; K150-R152 PolarHBondContact O-N 3Å; K150-V153 PolarHBondContact O-N 3.24Å; K150-V153 VanDerWaalsContact O-O 3.09Å; K150-C271 HydrophobicContact CB-CB 4.09Å; K150-C271 HydrophobicContact CD-CB 3.9Å; K150-C271 HydrophobicContact CG-CB 4.17Å; K150-D281 IonicContact NZ-OD1 2.98Å; K150-D281 PolarHBondContact NZ-OD1 2.66Å; K150-D281 IonicContact NZ-OD2 2.77Å; K150-D281 PolarHBondContact NZ-OD2 3.5Å
151H97.9Very high97.8Very high79 Ų7926.3 Ų26.337%0.36615%0.148SC..G310 helixtrans-67.1-16.7178.870.386.3000114.3P149 K293 I295P149-H151 PolarHBondContact O-N 3.19Å; H151-K293 PolarHBondContact CE1-O 3.08Å; H151-K293 PolarHBondContact ND1-O 3.17Å; H151-I295 HydrophobicContact CB-CB 4.26Å; H151-I295 WeakPolarHBondContact CB-O 3.45Å; H151-I295 PolarHBondContact O-N 3.4Å
152R98.5Very high97.8Very high33 Ų3326.6 Ų26.613%0.12515%0.15CC..G310 helixtrans-96.94.9177.1-62.6-164.8-59.81694.2113.6P124 Q125 V127 L128 F148 P149 K150P124-R152 PolarHBondContact O-NH1 3.25Å; P124-R152 PolarHBondContact O-NH2 2.98Å; Q125-R152 VanDerWaalsContact C-NH1 3.31Å; Q125-R152 VanDerWaalsContact CA-NH1 3.26Å; Q125-R152 PolarHBondContact O-NH1 3.04Å; V127-R152 HydrophobicContact CG2-CB 4.48Å; V127-R152 HydrophobicContact CG2-CG 4.43Å; L128-R152 PolarHBondContact N-O 3.49Å; F148-R152 HydrophobicContact CB-CB 4.49Å; F148-R152 HydrophobicContact CD2-CB 4.21Å; F148-R152 VanDerWaalsContact CE1-NH2 3.29Å; P149-R152 HydrophobicContact CG-CG 4.15Å; P149-R152 PolarHBondContact O-N 2.77Å; K150-R152 PolarHBondContact O-N 3Å
153V98.7Very high97.7Very high0 Ų029.2 Ų29.20%017%0.172CC..EExtended strand (participates in β ladder)trans-132.4112.9178.3-169.30000109.1L128 I130 T139 A142 A143 F148 K150L128-V153 HydrophobicContact CB-CG1 4.18Å; L128-V153 HydrophobicContact CB-CG2 4.27Å; L128-V153 HydrophobicContact CD1-CG2 4.09Å; I130-V153 HydrophobicContact CG1-CG1 4.47Å; T139-V153 HydrophobicContact CG2-CG1 4.2Å; A142-V153 HydrophobicContact CB-CG1 4.06Å; A143-V153 HydrophobicContact CB-CB 4.07Å; A143-V153 HydrophobicContact CB-CG1 3.94Å; A143-V153 HydrophobicContact CB-CG2 4.45Å; F148-V153 HydrophobicContact CB-CG2 3.78Å; F148-V153 HydrophobicContact CD2-CG2 4.21Å; F148-V153 HydrophobicContact CG-CG2 4.49Å; K150-V153 PolarHBondContact O-N 3.24Å; K150-V153 VanDerWaalsContact O-O 3.09Å
154F98.8Very high97.7Very high0 Ų030.3 Ų30.30%017%0.173CC..EExtended strand (participates in β ladder)trans-149158178.654.7-90.6000111V127 L128 L129 I130 I254 I258 I268 S269 V270 I290 I295V127-F154 HydrophobicContact CG1-CD1 4.11Å; V127-F154 HydrophobicContact CG1-CE1 3.24Å; V127-F154 HydrophobicContact CG1-CZ 3.66Å; L128-F154 PolarHBondContact O-N 2.78Å; L128-F154 VanDerWaalsContact O-N 3.14Å; L129-F154 WeakPolarHBondContact CA-O 3.48Å; L129-F154 HydrophobicContact CD1-CD2 3.81Å; L129-F154 HydrophobicContact CD1-CE2 3.74Å; I130-F154 PolarHBondContact N-O 2.89Å; F154-I254 HydrophobicContact CE2-CG2 3.72Å; F154-I254 HydrophobicContact CZ-CG2 4.23Å; F154-I258 HydrophobicContact CZ-CD1 3.85Å; F154-I268 HydrophobicContact CB-CD1 4.25Å; F154-I268 HydrophobicContact CD2-CD1 3.47Å; F154-I268 VanDerWaalsContact CD2-CD1 3.47Å; F154-I268 HydrophobicContact CE2-CD1 3.92Å; F154-I268 HydrophobicContact CG-CD1 4Å; F154-S269 CarbonylContact C-O 3.59Å; F154-S269 VanDerWaalsContact CA-O 3.26Å; F154-S269 WeakPolarHBondContact CA-O 3.32Å; F154-S269 WeakPolarHBondContact CB-O 3.4Å; F154-V270 HydrophobicContact CB-CG1 4.14Å; F154-I290 HydrophobicContact CE2-CD1 4.2Å; F154-I290 HydrophobicContact CZ-CG2 4.33Å; F154-I295 HydrophobicContact CB-CD1 4.1Å; F154-I295 HydrophobicContact CB-CG1 4.11Å; F154-I295 HydrophobicContact CD1-CD1 3.56Å; F154-I295 HydrophobicContact CD1-CG1 3.57Å; F154-I295 HydrophobicContact CD2-CD1 4.13Å; F154-I295 HydrophobicContact CE1-CD1 3.85Å; F154-I295 HydrophobicContact CE1-CG1 4.11Å; F154-I295 HydrophobicContact CE2-CD1 4.39Å; F154-I295 HydrophobicContact CG-CD1 3.69Å; F154-I295 HydrophobicContact CG-CG1 3.99Å; F154-I295 HydrophobicContact CZ-CD1 4.25Å
155G98.7Very high97.7Very high0 Ų026 Ų260%015%0.154CC..EExtended strand (participates in β ladder)trans-108.9157.4-178.600000112.2I130 T139 G157 I268 S269I130-G155 CarbonylContact O-C 3.56Å; I130-G155 WeakPolarHBondContact O-CA 3.47Å; T139-G155 VanDerWaalsContact OG1-CA 3.31Å; T139-G155 WeakPolarHBondContact OG1-CA 3.28Å; T139-G155 PolarHBondContact OG1-N 3.42Å; G155-G157 PolarHBondContact O-N 2.98Å; G155-G157 VanDerWaalsContact O-N 3.13Å; G155-I268 WeakPolarHBondContact O-CB 3.43Å; G155-S269 PolarHBondContact N-O 2.7Å; G155-S269 PolarHBondContact O-N 3.46Å
156T98.4Very high97.7Very high6 Ų624.5 Ų24.54%0.03715%0.147CC..  trans-58.8-27.7177.655.10000113L129 I130 V131 I159 I247L129-T156 HydrophobicContact CD1-CG2 4.01Å; L129-T156 HydrophobicContact CG-CG2 4.45Å; I130-T156 PolarHBondContact O-N 3.48Å; V131-T156 HydrophobicContact CB-CG2 4.47Å; V131-T156 HydrophobicContact CG1-CG2 4.46Å; V131-T156 HydrophobicContact CG2-CG2 3.89Å; T156-I159 WeakPolarHBondContact O-CB 3.46Å; T156-I159 WeakPolarHBondContact O-CG2 3.3Å; T156-I159 PolarHBondContact O-N 2.96Å; T156-I247 HydrophobicContact CG2-CD1 3.97Å
157G97.8Very high97.7Very high3 Ų329.9 Ų29.93%0.03117%0.167CC..THydrogen-bonded Turntrans53.5-140.317200000113.3G155 I159 S285G155-G157 PolarHBondContact O-N 2.98Å; G155-G157 VanDerWaalsContact O-N 3.13Å; G157-I159 VanDerWaalsContact C-N 3.27Å; G157-I159 PolarHBondContact O-N 3.32Å; G157-S285 WeakPolarHBondContact CA-OG 3.38Å
158T97.7Very high97.7Very high0 Ų029.1 Ų29.10%015%0.147CC..THydrogen-bonded Turntrans-84.917.8-176.258.20000114.4L160 D161 S162 I184 P267 S285T158-L160 VanDerWaalsContact C-N 3.32Å; T158-L160 PolarHBondContact O-N 3.49Å; T158-D161 PolarHBondContact O-N 3.2Å; T158-S162 WeakPolarHBondContact O-CB 3.26Å; T158-S162 PolarHBondContact O-N 2.8Å; T158-S162 PolarHBondContact O-OG 2.95Å; T158-I184 VanDerWaalsContact CB-O 3.26Å; T158-I184 WeakPolarHBondContact CB-O 3.24Å; T158-I184 HydrophobicContact CG2-CG2 4.09Å; T158-I184 PolarHBondContact OG1-O 2.61Å; T158-P267 CarbonylContact C-O 3.51Å; T158-S285 PolarHBondContact N-OG 3.13Å; T158-S285 WeakPolarHBondContact OG1-CB 3.15Å; T158-S285 PolarHBondContact OG1-OG 2.97Å
159I97.7Very high97.6Very high15 Ų1528.1 Ų28.18%0.07714%0.142CC..Hα-helixtrans-56.8-44.5-179.8-167.8171.3000112.2T156 G157 A163 A250 I254 Y266 P267 I268T156-I159 WeakPolarHBondContact O-CB 3.46Å; T156-I159 WeakPolarHBondContact O-CG2 3.3Å; T156-I159 PolarHBondContact O-N 2.96Å; G157-I159 VanDerWaalsContact C-N 3.27Å; G157-I159 PolarHBondContact O-N 3.32Å; I159-A163 WeakPolarHBondContact O-CB 3.49Å; I159-A163 PolarHBondContact O-N 3.31Å; I159-A250 HydrophobicContact CD1-CB 4.22Å; I159-A250 HydrophobicContact CG2-CB 4.07Å; I159-I254 HydrophobicContact CD1-CD1 3.91Å; I159-I254 HydrophobicContact CD1-CG1 4.03Å; I159-Y266 HydrophobicContact CD1-CD1 3.71Å; I159-Y266 HydrophobicContact CD1-CE1 4.32Å; I159-Y266 HydrophobicContact CD1-CG 3.99Å; I159-Y266 HydrophobicContact CG1-CD1 4.31Å; I159-P267 WeakPolarHBondContact CA-O 3.44Å; I159-P267 PolarHBondContact N-O 3.47Å; I159-I268 HydrophobicContact CB-CG2 4.37Å
160L96.8Very high97.6Very high19 Ų1925.3 Ų25.310%0.09913%0.125CC..Hα-helixtrans-74.9-32.8178.9-68-173.9000112.8T158 A163 R164 S246 I247 A250T158-L160 VanDerWaalsContact C-N 3.32Å; T158-L160 PolarHBondContact O-N 3.49Å; L160-A163 PolarHBondContact O-N 2.56Å; L160-R164 WeakPolarHBondContact O-CB 3.39Å; L160-R164 WeakPolarHBondContact O-CD 3.48Å; L160-R164 WeakPolarHBondContact O-CG 3.02Å; L160-R164 PolarHBondContact O-N 2.91Å; L160-S246 WeakPolarHBondContact CD2-O 3.39Å; L160-I247 HydrophobicContact CD1-CB 3.98Å; L160-I247 HydrophobicContact CD1-CD1 3.92Å; L160-I247 HydrophobicContact CG-CD1 4.42Å; L160-A250 HydrophobicContact CD2-CB 3.72Å; L160-A250 HydrophobicContact CG-CB 4.4Å
161D96.3Very high97.7Very high4 Ų426.9 Ų26.92%0.02113%0.133CC..Hα-helixtrans-66.8-44.4176.3-70.7-5.5000110.2T158 A163 R164 F165 I184 L188 I230T158-D161 PolarHBondContact O-N 3.2Å; D161-A163 VanDerWaalsContact C-N 3.34Å; D161-A163 PolarHBondContact O-N 2.77Å; D161-R164 PolarHBondContact O-N 3.14Å; D161-R164 IonicContact OD1-CZ 2.78Å; D161-R164 IonicContact OD1-NH1 3.59Å; D161-R164 PolarHBondContact OD1-NH1 3.19Å; D161-F165 VanDerWaalsContact O-CB 3.25Å; D161-F165 WeakPolarHBondContact O-CB 3.37Å; D161-F165 PolarHBondContact O-N 2.66Å; D161-I184 HydrophobicContact CB-CB 4.41Å; D161-I184 HydrophobicContact CB-CD1 4.01Å; D161-I184 HydrophobicContact CB-CG2 4.26Å; D161-L188 VanDerWaalsContact OD2-CD1 3.24Å; D161-L188 WeakPolarHBondContact OD2-CD1 3.43Å; D161-I230 HydrophobicContact CB-CD1 4.11Å
162S97.3Very high97.6Very high7 Ų726.8 Ų26.85%0.04913%0.132CC..Hα-helixtrans-61.7-40.8173.5-58.60000111.9T158 F165 C166 I184 P267T158-S162 WeakPolarHBondContact O-CB 3.26Å; T158-S162 PolarHBondContact O-N 2.8Å; T158-S162 PolarHBondContact O-OG 2.95Å; S162-F165 WeakPolarHBondContact O-CB 3.3Å; S162-F165 PolarHBondContact O-N 2.89Å; S162-C166 WeakPolarHBondContact O-CB 3.15Å; S162-C166 PolarHBondContact O-N 3.2Å; S162-C166 PolarHBondContact O-SG 3.1Å; S162-I184 PolarHBondContact OG-N 2.89Å; S162-I184 PolarHBondContact OG-O 2.83Å; S162-P267 WeakPolarHBondContact OG-CG 3.48Å
163A97.2Very high97.5Very high54 Ų5428.6 Ų28.645%0.44614%0.141SC..Hα-helixtrans-63.4-45.317600000112.4I159 L160 D161 F165 C166 Y167I159-A163 WeakPolarHBondContact O-CB 3.49Å; I159-A163 PolarHBondContact O-N 3.31Å; L160-A163 PolarHBondContact O-N 2.56Å; D161-A163 VanDerWaalsContact C-N 3.34Å; D161-A163 PolarHBondContact O-N 2.77Å; A163-F165 VanDerWaalsContact C-N 3.33Å; A163-F165 PolarHBondContact O-N 2.67Å; A163-C166 PolarHBondContact O-N 2.97Å; A163-Y167 WeakPolarHBondContact O-CB 3.41Å; A163-Y167 PolarHBondContact O-N 3.22Å
164R96.4Very high97.5Very high37 Ų3734 Ų3414%0.1418%0.179CC..Hα-helixtrans-62.9-41175.5-70.3160.5-178.8139.5-7111.7L160 D161 Y167 L168 A229 S232 T233L160-R164 WeakPolarHBondContact O-CB 3.39Å; L160-R164 WeakPolarHBondContact O-CD 3.48Å; L160-R164 WeakPolarHBondContact O-CG 3.02Å; L160-R164 PolarHBondContact O-N 2.91Å; D161-R164 PolarHBondContact O-N 3.14Å; D161-R164 IonicContact OD1-CZ 2.78Å; D161-R164 IonicContact OD1-NH1 3.59Å; D161-R164 PolarHBondContact OD1-NH1 3.19Å; R164-Y167 WeakPolarHBondContact O-CB 3.19Å; R164-Y167 PolarHBondContact O-N 3.49Å; R164-L168 WeakPolarHBondContact O-CG 3.28Å; R164-L168 PolarHBondContact O-N 3.5Å; R164-A229 HydrophobicContact CB-CB 4.06Å; R164-S232 WeakPolarHBondContact CD-OG 3.33Å; R164-T233 PolarHBondContact NH1-OG1 3.03Å; R164-T233 PolarHBondContact NH2-OG1 3.2Å
165F97.3Very high97.4Very high0 Ų036.4 Ų36.40%019%0.193CC..Hα-helixtrans-61.5-49177.1179.9-118.7000111.9D161 S162 A163 Y167 L168 L169 I184 P194 W196 V199 I225 A229D161-F165 VanDerWaalsContact O-CB 3.25Å; D161-F165 WeakPolarHBondContact O-CB 3.37Å; D161-F165 PolarHBondContact O-N 2.66Å; S162-F165 WeakPolarHBondContact O-CB 3.3Å; S162-F165 PolarHBondContact O-N 2.89Å; A163-F165 VanDerWaalsContact C-N 3.33Å; A163-F165 PolarHBondContact O-N 2.67Å; F165-Y167 VanDerWaalsContact C-N 3.32Å; F165-Y167 PolarHBondContact O-N 3.14Å; F165-L168 PolarHBondContact O-N 3.35Å; F165-L169 HydrophobicContact CD1-CD1 4.03Å; F165-L169 HydrophobicContact CD2-CD1 4.37Å; F165-L169 HydrophobicContact CE1-CD1 3.65Å; F165-L169 HydrophobicContact CE2-CD1 4.02Å; F165-L169 HydrophobicContact CE2-CG 4.4Å; F165-L169 HydrophobicContact CG-CD1 4.39Å; F165-L169 HydrophobicContact CZ-CD1 3.65Å; F165-L169 HydrophobicContact CZ-CG 4.48Å; F165-L169 WeakPolarHBondContact O-CG 3.45Å; F165-L169 PolarHBondContact O-N 2.82Å; F165-I184 HydrophobicContact CB-CD1 3.69Å; F165-I184 HydrophobicContact CB-CG1 4.24Å; F165-I184 HydrophobicContact CD1-CG1 4.28Å; F165-I184 HydrophobicContact CD2-CD1 4.43Å; F165-I184 HydrophobicContact CG-CD1 4Å; F165-I184 HydrophobicContact CG-CG1 4.23Å; F165-P194 HydrophobicContact CZ-CB 4.4Å; F165-W196 AromaticContact CE2-CH2 3.37Å; F165-W196 HydrophobicContact CE2-CH2 3.37Å; F165-W196 AromaticContact CE2-CZ2 3.9Å; F165-W196 HydrophobicContact CE2-CZ2 3.9Å; F165-W196 AromaticContact CE2-CZ3 3.79Å; F165-W196 HydrophobicContact CE2-CZ3 3.79Å; F165-W196 HydrophobicContact CZ-CD2 4.45Å; F165-W196 AromaticContact CZ-CE3 3.93Å; F165-W196 HydrophobicContact CZ-CE3 3.93Å; F165-W196 AromaticContact CZ-CH2 3.52Å; F165-W196 HydrophobicContact CZ-CH2 3.52Å; F165-W196 HydrophobicContact CZ-CZ2 4.07Å; F165-W196 AromaticContact CZ-CZ3 3.45Å; F165-W196 HydrophobicContact CZ-CZ3 3.45Å; F165-W196 VanDerWaalsContact CZ-CZ3 3.45Å; F165-V199 HydrophobicContact CE1-CG2 3.81Å; F165-V199 HydrophobicContact CZ-CG2 4.1Å; F165-I225 HydrophobicContact CD2-CG2 4.14Å; F165-I225 HydrophobicContact CE2-CG2 4.21Å; F165-A229 HydrophobicContact CB-CB 4.31Å
166C97.9Very high97.4Very high14 Ų1441.3 Ų41.310%0.09522%0.219CC..Hα-helixtrans-63.2-38.3175.5-64.80000111.9S162 A163 L169 G170 V180 G182S162-C166 WeakPolarHBondContact O-CB 3.15Å; S162-C166 PolarHBondContact O-N 3.2Å; S162-C166 PolarHBondContact O-SG 3.1Å; A163-C166 PolarHBondContact O-N 2.97Å; C166-L169 PolarHBondContact O-N 2.89Å; C166-G170 PolarHBondContact O-N 3.38Å; C166-V180 HydrophobicContact CB-CB 4.21Å; C166-V180 HydrophobicContact CB-CG1 4.32Å; C166-G182 PolarHBondContact SG-O 3.27Å; C166-G182 VanDerWaalsContact SG-O 3.34Å
167Y97.9Very high97.3Very high126 Ų12642.5 Ų42.549%0.49423%0.23SC..Hα-helixtrans-60-50.4174.7172-96.8000112.4A163 R164 F165 L169 G170 Q171A163-Y167 WeakPolarHBondContact O-CB 3.41Å; A163-Y167 PolarHBondContact O-N 3.22Å; R164-Y167 WeakPolarHBondContact O-CB 3.19Å; R164-Y167 PolarHBondContact O-N 3.49Å; F165-Y167 VanDerWaalsContact C-N 3.32Å; F165-Y167 PolarHBondContact O-N 3.14Å; Y167-L169 VanDerWaalsContact C-N 3.35Å; Y167-L169 PolarHBondContact O-N 3.09Å; Y167-G170 WeakPolarHBondContact O-CA 3.39Å; Y167-G170 PolarHBondContact O-N 3.12Å; Y167-G170 VanDerWaalsContact O-N 3.12Å; Y167-Q171 HydrophobicContact CD1-CG 4.42Å; Y167-Q171 HydrophobicContact CE1-CG 3.96Å; Y167-Q171 HydrophobicContact CE2-CG 4.31Å; Y167-Q171 WeakPolarHBondContact O-CG 3.33Å; Y167-Q171 PolarHBondContact O-N 3.32Å
168L97.6Very high97.3Very high50 Ų5046.6 Ų46.626%0.26226%0.258SS..Hα-helixtrans-66.9-36.2-178.9-68.1174.8000112.4R164 F165 Q171 K172 I225 A229R164-L168 WeakPolarHBondContact O-CG 3.28Å; R164-L168 PolarHBondContact O-N 3.5Å; F165-L168 PolarHBondContact O-N 3.35Å; L168-Q171 PolarHBondContact O-N 3.24Å; L168-K172 PolarHBondContact O-N 3.15Å; L168-K172 VanDerWaalsContact O-N 3.08Å; L168-I225 HydrophobicContact CB-CG2 3.62Å; L168-I225 HydrophobicContact CD1-CG2 4.38Å; L168-I225 WeakPolarHBondContact CD1-O 3.24Å; L168-A229 HydrophobicContact CD1-CB 4.02Å
169L97.4Very high97.3Very high0 Ų049.2 Ų49.20%028%0.276CS..Hα-helixtrans-63.3-42.9169.7-74.6171.1000111.3F165 C166 Y167 Q171 K172 F173 V180 W196 V199 L206 Y222 I225F165-L169 HydrophobicContact CD1-CD1 4.03Å; F165-L169 HydrophobicContact CD2-CD1 4.37Å; F165-L169 HydrophobicContact CE1-CD1 3.65Å; F165-L169 HydrophobicContact CE2-CD1 4.02Å; F165-L169 HydrophobicContact CE2-CG 4.4Å; F165-L169 HydrophobicContact CG-CD1 4.39Å; F165-L169 HydrophobicContact CZ-CD1 3.65Å; F165-L169 HydrophobicContact CZ-CG 4.48Å; F165-L169 WeakPolarHBondContact O-CG 3.45Å; F165-L169 PolarHBondContact O-N 2.82Å; C166-L169 PolarHBondContact O-N 2.89Å; Y167-L169 VanDerWaalsContact C-N 3.35Å; Y167-L169 PolarHBondContact O-N 3.09Å; L169-Q171 VanDerWaalsContact C-N 3.32Å; L169-Q171 PolarHBondContact O-N 2.92Å; L169-K172 WeakPolarHBondContact O-CB 3.25Å; L169-K172 PolarHBondContact O-N 3.47Å; L169-K172 VanDerWaalsContact O-N 3.09Å; L169-F173 HydrophobicContact CD2-CE2 4.25Å; L169-F173 WeakPolarHBondContact O-CD2 3.44Å; L169-F173 PolarHBondContact O-N 3.46Å; L169-V180 HydrophobicContact CB-CG1 3.76Å; L169-V180 HydrophobicContact CB-CG2 4.39Å; L169-V180 HydrophobicContact CD1-CG1 3.81Å; L169-V180 HydrophobicContact CG-CG1 4.46Å; L169-W196 HydrophobicContact CD2-CZ3 4.48Å; L169-V199 HydrophobicContact CD1-CG1 3.74Å; L169-L206 HydrophobicContact CD2-CD1 4.4Å; L169-Y222 HydrophobicContact CD2-CD1 3.92Å; L169-Y222 HydrophobicContact CD2-CE1 4.04Å; L169-I225 HydrophobicContact CD2-CD1 3.83Å; L169-I225 HydrophobicContact CD2-CG2 4.21Å; L169-I225 HydrophobicContact CG-CG2 4.09Å
170G97.9Very high97.3Very high1 Ų148.8 Ų48.81%0.0127%0.274CS..Hα-helixtrans-57.4-44.617600000111.9C166 Y167 K172 F173 S174 V175C166-G170 PolarHBondContact O-N 3.38Å; Y167-G170 WeakPolarHBondContact O-CA 3.39Å; Y167-G170 PolarHBondContact O-N 3.12Å; Y167-G170 VanDerWaalsContact O-N 3.12Å; G170-K172 PolarHBondContact O-N 3.12Å; G170-F173 CarbonylContact O-C 3.57Å; G170-F173 PolarHBondContact O-N 2.87Å; G170-S174 WeakPolarHBondContact O-CA 3.35Å; G170-S174 PolarHBondContact O-N 2.94Å; G170-V175 CarbonylContact C-O 3.53Å; G170-V175 VanDerWaalsContact C-O 3.26Å; G170-V175 WeakPolarHBondContact CA-O 3.43Å; G170-V175 PolarHBondContact O-N 3.42Å; G170-V175 VanDerWaalsContact O-O 3.13Å
171Q97.5Very high97.3Very high116 Ų11652 Ų5254%0.54229%0.289SS..Hα-helixtrans-58.6-45.4173-66.8-60-55.700112Y167 L168 L169 F173 S174Y167-Q171 HydrophobicContact CD1-CG 4.42Å; Y167-Q171 HydrophobicContact CE1-CG 3.96Å; Y167-Q171 HydrophobicContact CE2-CG 4.31Å; Y167-Q171 WeakPolarHBondContact O-CG 3.33Å; Y167-Q171 PolarHBondContact O-N 3.32Å; L168-Q171 PolarHBondContact O-N 3.24Å; L169-Q171 VanDerWaalsContact C-N 3.32Å; L169-Q171 PolarHBondContact O-N 2.92Å; Q171-F173 VanDerWaalsContact C-N 3.32Å; Q171-F173 PolarHBondContact O-N 3.46Å; Q171-S174 PolarHBondContact O-N 2.94Å
172K96.4Very high97.3Very high78 Ų7852 Ų5234%0.33929%0.29SS..Hα-helixtrans-60.7-39.7178.3176.2165.6177.7168.80112.6L168 L169 G170 E220 Y222 I225L168-K172 PolarHBondContact O-N 3.15Å; L168-K172 VanDerWaalsContact O-N 3.08Å; L169-K172 WeakPolarHBondContact O-CB 3.25Å; L169-K172 PolarHBondContact O-N 3.47Å; L169-K172 VanDerWaalsContact O-N 3.09Å; G170-K172 PolarHBondContact O-N 3.12Å; K172-E220 WeakPolarHBondContact CE-OE2 3.32Å; K172-E220 IonicContact NZ-OE2 2.58Å; K172-E220 PolarHBondContact NZ-OE2 3.23Å; K172-Y222 HydrophobicContact CD-CD1 4.44Å; K172-Y222 HydrophobicContact CD-CE1 3.82Å; K172-Y222 WeakPolarHBondContact CE-OH 3.35Å; K172-Y222 PolarHBondContact NZ-OH 2.9Å; K172-I225 HydrophobicContact CB-CD1 4.38Å; K172-I225 HydrophobicContact CD-CD1 3.56Å
173F96Very high97.3Very high71 Ų7154.9 Ų54.931%0.31130%0.3SS..Hα-helixtrans-94.50.5-178.3-67.9-71.3000114.1L169 G170 Q171 V175 I201 L206 Y222L169-F173 HydrophobicContact CD2-CE2 4.25Å; L169-F173 WeakPolarHBondContact O-CD2 3.44Å; L169-F173 PolarHBondContact O-N 3.46Å; G170-F173 CarbonylContact O-C 3.57Å; G170-F173 PolarHBondContact O-N 2.87Å; Q171-F173 VanDerWaalsContact C-N 3.32Å; Q171-F173 PolarHBondContact O-N 3.46Å; F173-V175 VanDerWaalsContact C-N 3.26Å; F173-V175 HydrophobicContact CB-CG2 4.06Å; F173-V175 PolarHBondContact O-N 3.37Å; F173-I201 HydrophobicContact CB-CD1 3.84Å; F173-I201 HydrophobicContact CD1-CD1 4.26Å; F173-I201 HydrophobicContact CD2-CD1 3.38Å; F173-I201 HydrophobicContact CE2-CD1 3.94Å; F173-I201 HydrophobicContact CG-CD1 3.56Å; F173-L206 HydrophobicContact CE1-CD2 4.49Å; F173-L206 HydrophobicContact CE2-CD1 3.76Å; F173-L206 HydrophobicContact CE2-CD2 4.18Å; F173-L206 HydrophobicContact CZ-CD1 3.91Å; F173-L206 HydrophobicContact CZ-CD2 3.76Å; F173-Y222 HydrophobicContact CE2-CE1 4.08Å; F173-Y222 AromaticContact CZ-CE1 3.95Å; F173-Y222 HydrophobicContact CZ-CE1 3.95Å; F173-Y222 AromaticContact CZ-CZ 4Å; F173-Y222 WeakPolarHBondContact CZ-OH 3.3Å
174S97.5Very high97.3Very high114 Ų11452.3 Ų52.380%0.79728%0.279SS*.THydrogen-bonded Turntrans53.442.7-173.6-57.20000112.9G170 Q171G170-S174 WeakPolarHBondContact O-CA 3.35Å; G170-S174 PolarHBondContact O-N 2.94Å; Q171-S174 PolarHBondContact O-N 2.94Å
175V98.2Very high97.3Very high50 Ų5050.5 Ų50.530%0.30327%0.272SS..SBendtrans-124157.9174.2-600000110.1G170 F173 V180 I201G170-V175 CarbonylContact C-O 3.53Å; G170-V175 VanDerWaalsContact C-O 3.26Å; G170-V175 WeakPolarHBondContact CA-O 3.43Å; G170-V175 PolarHBondContact O-N 3.42Å; G170-V175 VanDerWaalsContact O-O 3.13Å; F173-V175 VanDerWaalsContact C-N 3.26Å; F173-V175 HydrophobicContact CB-CG2 4.06Å; F173-V175 PolarHBondContact O-N 3.37Å; V175-V180 HydrophobicContact CG2-CG2 3.7Å; V175-I201 HydrophobicContact CG2-CD1 4.23Å
176D97.9Very high97.3Very high102 Ų10250.5 Ų50.555%0.54527%0.272SS..  trans-63.4146.3173.5-173.3-97.3000111.2S178 S179D176-S178 PolarHBondContact O-N 3.37Å; D176-S178 WeakPolarHBondContact OD1-CB 3.43Å; D176-S178 PolarHBondContact OD1-N 3.43Å; D176-S178 PolarHBondContact OD1-OG 3.17Å; D176-S179 WeakPolarHBondContact O-CB 3.39Å; D176-S179 PolarHBondContact O-N 3Å
177A97.2Very high97.1Very high32 Ų3251.8 Ų51.826%0.26428%0.277SS..G310 helixtrans-58.6-30.6-179.400000112.5S179 V180A177-S179 PolarHBondContact O-N 2.88Å; A177-V180 PolarHBondContact O-N 2.85Å; A177-V180 VanDerWaalsContact O-N 3.13Å
178S96.6Very high96.9Very high89 Ų8948.1 Ų48.162%0.62227%0.265SS*.G310 helixtrans-66.5-19.4175.666.70000113.8D176 V180D176-S178 PolarHBondContact O-N 3.37Å; D176-S178 WeakPolarHBondContact OD1-CB 3.43Å; D176-S178 PolarHBondContact OD1-N 3.43Å; D176-S178 PolarHBondContact OD1-OG 3.17Å; S178-V180 VanDerWaalsContact C-N 3.35Å
179S98Very high96.4Very high55 Ų5546.7 Ų46.739%0.38526%0.263SS..G310 helixtrans-89.4-2.6175.6-60.10000113.1D176 A177D176-S179 WeakPolarHBondContact O-CB 3.39Å; D176-S179 PolarHBondContact O-N 3Å; A177-S179 PolarHBondContact O-N 2.88Å
180V98.2Very high95.8Very high6 Ų654.1 Ų54.14%0.03630%0.298CS..EExtended strand (participates in β ladder)trans-104.9126174.6-175.60000109C166 L169 V175 A177 S178 I201C166-V180 HydrophobicContact CB-CB 4.21Å; C166-V180 HydrophobicContact CB-CG1 4.32Å; L169-V180 HydrophobicContact CB-CG1 3.76Å; L169-V180 HydrophobicContact CB-CG2 4.39Å; L169-V180 HydrophobicContact CD1-CG1 3.81Å; L169-V180 HydrophobicContact CG-CG1 4.46Å; V175-V180 HydrophobicContact CG2-CG2 3.7Å; A177-V180 PolarHBondContact O-N 2.85Å; A177-V180 VanDerWaalsContact O-N 3.13Å; S178-V180 VanDerWaalsContact C-N 3.35Å; V180-I201 HydrophobicContact CG2-CD1 4.25Å; V180-I201 HydrophobicContact CG2-CG1 4.2Å
181H97.3Very high95.5Very high86 Ų8657.4 Ų57.440%0.39832%0.315SS..EExtended strand (participates in β ladder)trans-110.5111.1176.3-54.8-69.8000109.1V199 N200H181-V199 VanDerWaalsContact O-CA 3.29Å; H181-V199 WeakPolarHBondContact O-CA 3.49Å; H181-N200 PolarHBondContact N-O 2.85Å; H181-N200 PolarHBondContact O-N 2.92Å
182G96.2Very high95.4Very high5 Ų552.2 Ų52.25%0.05229%0.291CS..  trans-155.6146.9176.700000111C166C166-G182 PolarHBondContact SG-O 3.27Å; C166-G182 VanDerWaalsContact SG-O 3.34Å
183Y96.6Very high95.3Very high66 Ų6648.6 Ų48.626%0.25928%0.276SS..  trans-124136.8-177.9-61.9-78.4000110.5L195 P267 P287Y183-L195 PolarHBondContact O-N 2.58Å; Y183-P267 HydrophobicContact CD1-CB 4.06Å; Y183-P267 HydrophobicContact CD1-CG 3.97Å; Y183-P287 HydrophobicContact CD1-CG 4.06Å; Y183-P287 HydrophobicContact CD2-CG 4.41Å; Y183-P287 HydrophobicContact CE1-CB 4.42Å; Y183-P287 HydrophobicContact CE1-CG 4.43Å; Y183-P287 HydrophobicContact CG-CG 4.05Å
184I97Very high95.3Very high0 Ų046 Ų460%027%0.266CS..EExtended strand (participates in β ladder)trans-102.5127.4161-66.8179.2000106.5T158 D161 S162 F165 S192 I193 P194 Y226 I230T158-I184 VanDerWaalsContact CB-O 3.26Å; T158-I184 WeakPolarHBondContact CB-O 3.24Å; T158-I184 HydrophobicContact CG2-CG2 4.09Å; T158-I184 PolarHBondContact OG1-O 2.61Å; D161-I184 HydrophobicContact CB-CB 4.41Å; D161-I184 HydrophobicContact CB-CD1 4.01Å; D161-I184 HydrophobicContact CB-CG2 4.26Å; S162-I184 PolarHBondContact OG-N 2.89Å; S162-I184 PolarHBondContact OG-O 2.83Å; F165-I184 HydrophobicContact CB-CD1 3.69Å; F165-I184 HydrophobicContact CB-CG1 4.24Å; F165-I184 HydrophobicContact CD1-CG1 4.28Å; F165-I184 HydrophobicContact CD2-CD1 4.43Å; F165-I184 HydrophobicContact CG-CD1 4Å; F165-I184 HydrophobicContact CG-CG1 4.23Å; I184-S192 WeakPolarHBondContact CG2-OG 3.49Å; I184-I193 CarbonylContact C-O 3.22Å; I184-I193 WeakPolarHBondContact CA-O 3.49Å; I184-P194 HydrophobicContact CG1-CB 4.34Å; I184-Y226 HydrophobicContact CD1-CD2 3.76Å; I184-Y226 HydrophobicContact CD1-CE2 3.9Å; I184-Y226 HydrophobicContact CG1-CD2 4.36Å; I184-Y226 HydrophobicContact CG1-CE2 4.42Å; I184-Y226 HydrophobicContact CG2-CE2 4.48Å; I184-I230 HydrophobicContact CD1-CD1 4.32Å
185I96.9Very high95.2Very high0 Ų040.5 Ų40.50%023%0.228CC..EExtended strand (participates in β ladder)trans-121.3179.9-178.469.6159.8000111S192 I193 L195 S285 F286 P287 L303 I311I185-S192 WeakPolarHBondContact O-CA 3.25Å; I185-I193 HydrophobicContact CG1-CB 4Å; I185-I193 HydrophobicContact CG1-CG2 4.45Å; I185-I193 PolarHBondContact N-O 3.48Å; I185-I193 PolarHBondContact O-N 2.76Å; I185-L195 HydrophobicContact CD1-CD1 4.08Å; I185-L195 HydrophobicContact CD1-CD2 3.73Å; I185-L195 HydrophobicContact CD1-CG 4.15Å; I185-L195 HydrophobicContact CG1-CD1 4.21Å; I185-L195 HydrophobicContact CG1-CD2 3.9Å; I185-L195 HydrophobicContact CG1-CG 3.99Å; I185-L195 HydrophobicContact CG2-CD1 3.67Å; I185-L195 HydrophobicContact CG2-CG 4.11Å; I185-S285 CarbonylContact C-O 3.53Å; I185-S285 WeakPolarHBondContact CA-O 3.49Å; I185-S285 WeakPolarHBondContact CB-O 3.17Å; I185-F286 HydrophobicContact CD1-CE1 4.04Å; I185-F286 HydrophobicContact CD1-CZ 4.02Å; I185-P287 HydrophobicContact CG2-CG 4.38Å; I185-L303 HydrophobicContact CD1-CD2 3.89Å; I185-I311 HydrophobicContact CD1-CD1 4.11Å; I185-I311 HydrophobicContact CG1-CD1 4.48Å
186G96.5Very high94.9Very high0 Ų039.3 Ų39.30%022%0.218CC..BIsolated β-bridgetrans87.4-151.6177.900000113S285G186-S285 PolarHBondContact N-O 3.5Å; G186-S285 WeakPolarHBondContact O-CB 2.8Å; G186-S285 PolarHBondContact O-N 2.9Å; G186-S285 PolarHBondContact O-OG 3.17Å
187E95.4Very high94.5Very high41 Ų4136.1 Ų36.119%0.19220%0.203CC..SBendtrans-73.2141.3178.2-175-179.2-164.300110.6G189 N191 S192 L284 C314E187-G189 PolarHBondContact O-N 2.88Å; E187-N191 HydrophobicContact CB-CB 4.12Å; E187-N191 WeakPolarHBondContact OE2-CB 3.34Å; E187-N191 PolarHBondContact OE2-ND2 3.26Å; E187-S192 VanDerWaalsContact O-CA 3.28Å; E187-S192 WeakPolarHBondContact O-CA 3.25Å; E187-S192 WeakPolarHBondContact O-CB 3.47Å; E187-S192 PolarHBondContact O-N 3.36Å; E187-L284 HydrophobicContact CB-CD2 4.04Å; E187-C314 HydrophobicContact CB-CB 4.37Å
188L93.1Very high94.2Very high48 Ų4836.1 Ų36.125%0.25120%0.2SC..SBendtrans-62.6127.4174.3177.466.7000111.2N133 V135 D136 D161N133-L188 WeakPolarHBondContact OD1-CD2 3.44Å; V135-L188 HydrophobicContact CB-CD2 4.49Å; V135-L188 HydrophobicContact CG1-CB 3.96Å; V135-L188 HydrophobicContact CG1-CD2 3.63Å; V135-L188 HydrophobicContact CG1-CG 4.42Å; D136-L188 PolarHBondContact OD2-N 3.04Å; D161-L188 VanDerWaalsContact OD2-CD1 3.24Å; D161-L188 WeakPolarHBondContact OD2-CD1 3.43Å
189G86.5Confident94.1Very high21 Ų2131.9 Ų31.922%0.21617%0.17CC..SBendtrans111.3-142.6174.800000113.8E187 N191 S192E187-G189 PolarHBondContact O-N 2.88Å; G189-N191 VanDerWaalsContact C-N 3.25Å; G189-N191 PolarHBondContact O-N 3.3Å; G189-S192 WeakPolarHBondContact O-CB 3.29Å; G189-S192 PolarHBondContact O-N 3.13Å; G189-S192 VanDerWaalsContact O-N 3.07Å; G189-S192 PolarHBondContact O-OG 2.84Å
190E85.9Confident94Very high156 Ų15630.7 Ų30.773%0.72916%0.16SC*.THydrogen-bonded Turntrans-64.3-28.5-171.6-61.8-169.7147.600113.7S192E190-S192 VanDerWaalsContact C-N 3.26Å; E190-S192 PolarHBondContact O-N 3.34Å
191N90.4Very high94Very high69 Ų6932 Ų3237%0.36917%0.166SC..THydrogen-bonded Turntrans-831.4177.5-72-22.5000113.6E187 G189E187-N191 HydrophobicContact CB-CB 4.12Å; E187-N191 WeakPolarHBondContact OE2-CB 3.34Å; E187-N191 PolarHBondContact OE2-ND2 3.26Å; G189-N191 VanDerWaalsContact C-N 3.25Å; G189-N191 PolarHBondContact O-N 3.3Å
192S95.3Very high94Very high7 Ų732.6 Ų32.65%0.04919%0.186CC..  trans-68160.317873.60000112.1I184 I185 E187 G189 E190 Y226 I230I184-S192 WeakPolarHBondContact CG2-OG 3.49Å; I185-S192 WeakPolarHBondContact O-CA 3.25Å; E187-S192 VanDerWaalsContact O-CA 3.28Å; E187-S192 WeakPolarHBondContact O-CA 3.25Å; E187-S192 WeakPolarHBondContact O-CB 3.47Å; E187-S192 PolarHBondContact O-N 3.36Å; G189-S192 WeakPolarHBondContact O-CB 3.29Å; G189-S192 PolarHBondContact O-N 3.13Å; G189-S192 VanDerWaalsContact O-N 3.07Å; G189-S192 PolarHBondContact O-OG 2.84Å; E190-S192 VanDerWaalsContact C-N 3.26Å; E190-S192 PolarHBondContact O-N 3.34Å; S192-Y226 PolarHBondContact O-OH 2.93Å; S192-Y226 PolarHBondContact OG-OH 3.5Å; S192-I230 WeakPolarHBondContact OG-CD1 3.46Å
193I95.3Very high93.9Very high3 Ų335.1 Ų35.12%0.01521%0.212CC..EExtended strand (participates in β ladder)trans-127.8110.4-169.5-55.6174.7000109.5I184 I185 L195 E307 K310 I311I184-I193 CarbonylContact C-O 3.22Å; I184-I193 WeakPolarHBondContact CA-O 3.49Å; I185-I193 HydrophobicContact CG1-CB 4Å; I185-I193 HydrophobicContact CG1-CG2 4.45Å; I185-I193 PolarHBondContact N-O 3.48Å; I185-I193 PolarHBondContact O-N 2.76Å; I193-L195 HydrophobicContact CG2-CD2 4.43Å; I193-L195 PolarHBondContact O-N 3.4Å; I193-E307 HydrophobicContact CG2-CB 4.06Å; I193-E307 HydrophobicContact CG2-CG 3.66Å; I193-K310 HydrophobicContact CD1-CB 3.53Å; I193-K310 HydrophobicContact CD1-CD 4.48Å; I193-K310 HydrophobicContact CG1-CB 4.14Å; I193-K310 HydrophobicContact CG1-CD 4.34Å; I193-I311 HydrophobicContact CD1-CD1 3.5Å; I193-I311 VanDerWaalsContact CD1-CD1 3.5Å; I193-I311 HydrophobicContact CD1-CG1 3.57Å
194P95.5Very high93.9Very high15 Ų1534.7 Ų34.710%0.09722%0.222CC..EExtended strand (participates in β ladder)trans-76.1119.6173.530.6-33.5000110.7F165 I184 W196 Y226F165-P194 HydrophobicContact CZ-CB 4.4Å; I184-P194 HydrophobicContact CG1-CB 4.34Å; P194-W196 VanDerWaalsContact C-N 3.26Å; P194-W196 HydrophobicContact CB-CZ2 4.43Å; P194-W196 PolarHBondContact O-N 3.34Å; P194-Y226 HydrophobicContact CB-CD2 3.69Å; P194-Y226 HydrophobicContact CB-CE2 4.2Å; P194-Y226 HydrophobicContact CB-CG 4.05Å; P194-Y226 HydrophobicContact CG-CD1 3.97Å; P194-Y226 HydrophobicContact CG-CD2 3.63Å; P194-Y226 HydrophobicContact CG-CE1 4.25Å; P194-Y226 HydrophobicContact CG-CE2 3.94Å; P194-Y226 HydrophobicContact CG-CG 3.65Å
195L94.4Very high93.8Very high0 Ų041.1 Ų41.10%025%0.247CC..  trans-8067.1-179.5-64.4-176.4000112.4Y183 I185 I193 S197 T198 V199 Q301 L303Y183-L195 PolarHBondContact O-N 2.58Å; I185-L195 HydrophobicContact CD1-CD1 4.08Å; I185-L195 HydrophobicContact CD1-CD2 3.73Å; I185-L195 HydrophobicContact CD1-CG 4.15Å; I185-L195 HydrophobicContact CG1-CD1 4.21Å; I185-L195 HydrophobicContact CG1-CD2 3.9Å; I185-L195 HydrophobicContact CG1-CG 3.99Å; I185-L195 HydrophobicContact CG2-CD1 3.67Å; I185-L195 HydrophobicContact CG2-CG 4.11Å; I193-L195 HydrophobicContact CG2-CD2 4.43Å; I193-L195 PolarHBondContact O-N 3.4Å; L195-S197 PolarHBondContact O-N 3.13Å; L195-S197 VanDerWaalsContact O-N 3.08Å; L195-T198 PolarHBondContact O-N 3.31Å; L195-T198 PolarHBondContact O-OG1 3.47Å; L195-V199 PolarHBondContact O-N 3.02Å; L195-Q301 HydrophobicContact CD1-CB 4.25Å; L195-Q301 HydrophobicContact CD1-CG 3.77Å; L195-L303 HydrophobicContact CD2-CD2 3.83Å
196W93.2Very high93.7Very high25 Ų2542 Ų4210%0.09525%0.251CS..G310 helixtrans-52.9-32.3-178.1-67.9113.2000114.1F165 L169 P194 T198 V199 I213 Y222F165-W196 AromaticContact CE2-CH2 3.37Å; F165-W196 HydrophobicContact CE2-CH2 3.37Å; F165-W196 AromaticContact CE2-CZ2 3.9Å; F165-W196 HydrophobicContact CE2-CZ2 3.9Å; F165-W196 AromaticContact CE2-CZ3 3.79Å; F165-W196 HydrophobicContact CE2-CZ3 3.79Å; F165-W196 HydrophobicContact CZ-CD2 4.45Å; F165-W196 AromaticContact CZ-CE3 3.93Å; F165-W196 HydrophobicContact CZ-CE3 3.93Å; F165-W196 AromaticContact CZ-CH2 3.52Å; F165-W196 HydrophobicContact CZ-CH2 3.52Å; F165-W196 HydrophobicContact CZ-CZ2 4.07Å; F165-W196 AromaticContact CZ-CZ3 3.45Å; F165-W196 HydrophobicContact CZ-CZ3 3.45Å; F165-W196 VanDerWaalsContact CZ-CZ3 3.45Å; L169-W196 HydrophobicContact CD2-CZ3 4.48Å; P194-W196 VanDerWaalsContact C-N 3.26Å; P194-W196 HydrophobicContact CB-CZ2 4.43Å; P194-W196 PolarHBondContact O-N 3.34Å; W196-T198 PolarHBondContact O-N 3.37Å; W196-T198 VanDerWaalsContact O-N 3.16Å; W196-V199 HydrophobicContact CE3-CG2 4.16Å; W196-V199 PolarHBondContact O-N 3.3Å; W196-I213 HydrophobicContact CB-CG2 4.02Å; W196-I213 HydrophobicContact CD2-CD1 4.49Å; W196-I213 HydrophobicContact CD2-CG1 4.09Å; W196-I213 HydrophobicContact CE3-CD1 3.59Å; W196-I213 HydrophobicContact CE3-CG1 3.61Å; W196-I213 HydrophobicContact CZ3-CD1 3.95Å; W196-I213 HydrophobicContact CZ3-CG1 4.06Å; W196-Y222 HydrophobicContact CH2-CD1 4.46Å; W196-Y222 WeakPolarHBondContact CH2-O 3.4Å; W196-Y222 WeakPolarHBondContact CZ2-O 3.39Å; W196-Y222 HydrophobicContact CZ3-CD1 4.11Å; W196-Y222 HydrophobicContact CZ3-CG 4.32Å
197S88.6Confident93.6Very high34 Ų3444 Ų4424%0.23826%0.263CS..G310 helixtrans-60-23177.760.60000113.7L195L195-S197 PolarHBondContact O-N 3.13Å; L195-S197 VanDerWaalsContact O-N 3.08Å
198T90.5Very high93.5Very high32 Ų3247.4 Ų47.420%0.19629%0.287CS..G310 helixtrans-108.4-11.6-176.367.20000113.8L195 W196 N200L195-T198 PolarHBondContact O-N 3.31Å; L195-T198 PolarHBondContact O-OG1 3.47Å; W196-T198 PolarHBondContact O-N 3.37Å; W196-T198 VanDerWaalsContact O-N 3.16Å; T198-N200 PolarHBondContact O-N 2.53Å; T198-N200 PolarHBondContact O-ND2 3.17Å
199V95Very high93.5Very high0 Ų054 Ų540%031%0.314CS..  trans-62.9125.2-176.4-178.50000110.3F165 L169 H181 L195 W196 R205 L206F165-V199 HydrophobicContact CE1-CG2 3.81Å; F165-V199 HydrophobicContact CZ-CG2 4.1Å; L169-V199 HydrophobicContact CD1-CG1 3.74Å; H181-V199 VanDerWaalsContact O-CA 3.29Å; H181-V199 WeakPolarHBondContact O-CA 3.49Å; L195-V199 PolarHBondContact O-N 3.02Å; W196-V199 HydrophobicContact CE3-CG2 4.16Å; W196-V199 PolarHBondContact O-N 3.3Å; V199-R205 WeakPolarHBondContact O-CA 3.49Å; V199-L206 HydrophobicContact CB-CD1 4.41Å; V199-L206 HydrophobicContact CG1-CD1 3.57Å; V199-L206 HydrophobicContact CG1-CG 4.02Å; V199-L206 PolarHBondContact O-N 3.41Å
200N97Very high93.9Very high30 Ų3053.6 Ų53.616%0.1631%0.307CS..EExtended strand (participates in β ladder)trans-148.9159.1-177.873.192.8000112.9H181 T198 G203 A204 R205H181-N200 PolarHBondContact N-O 2.85Å; H181-N200 PolarHBondContact O-N 2.92Å; T198-N200 PolarHBondContact O-N 2.53Å; T198-N200 PolarHBondContact O-ND2 3.17Å; N200-G203 VanDerWaalsContact OD1-CA 3.31Å; N200-G203 WeakPolarHBondContact OD1-CA 3.14Å; N200-G203 PolarHBondContact OD1-N 2.8Å; N200-G203 VanDerWaalsContact OD1-N 3.08Å; N200-A204 VanDerWaalsContact CA-O 3.28Å; N200-A204 WeakPolarHBondContact CA-O 3.22Å; N200-A204 WeakPolarHBondContact CB-O 3.49Å; N200-R205 HydrophobicContact CB-CG 4.16Å
201I97.5Very high94.2Very high34 Ų3450.8 Ų50.817%0.17430%0.302CS..EExtended strand (participates in β ladder)trans-125.8124169.7-63.4174000106.6F173 V175 V180 G203 A204F173-I201 HydrophobicContact CB-CD1 3.84Å; F173-I201 HydrophobicContact CD1-CD1 4.26Å; F173-I201 HydrophobicContact CD2-CD1 3.38Å; F173-I201 HydrophobicContact CE2-CD1 3.94Å; F173-I201 HydrophobicContact CG-CD1 3.56Å; V175-I201 HydrophobicContact CG2-CD1 4.23Å; V180-I201 HydrophobicContact CG2-CD1 4.25Å; V180-I201 HydrophobicContact CG2-CG1 4.2Å; I201-G203 PolarHBondContact O-N 2.98Å; I201-G203 VanDerWaalsContact O-N 3.15Å; I201-A204 PolarHBondContact N-O 3.22Å; I201-A204 WeakPolarHBondContact O-CB 3.43Å; I201-A204 PolarHBondContact O-N 3.16Å
202A96.3Very high94.4Very high99 Ų9952.1 Ų52.182%0.81831%0.306SS*.THydrogen-bonded Turntrans50.535.8-17500000113.6A204A202-A204 PolarHBondContact O-N 3.48Å
203G95.5Very high94.3Very high57 Ų5752.4 Ų52.459%0.58831%0.306SS*.THydrogen-bonded Turntrans80.5-10.1-177.200000115.3N200 I201 R205N200-G203 VanDerWaalsContact OD1-CA 3.31Å; N200-G203 WeakPolarHBondContact OD1-CA 3.14Å; N200-G203 PolarHBondContact OD1-N 2.8Å; N200-G203 VanDerWaalsContact OD1-N 3.08Å; I201-G203 PolarHBondContact O-N 2.98Å; I201-G203 VanDerWaalsContact O-N 3.15Å; G203-R205 PolarHBondContact O-N 3.42Å
204A96.4Very high94.1Very high58 Ų5852.9 Ų52.948%0.47931%0.313SS..EExtended strand (participates in β ladder)trans-78.1105.717500000110.4N200 I201 A202N200-A204 VanDerWaalsContact CA-O 3.28Å; N200-A204 WeakPolarHBondContact CA-O 3.22Å; N200-A204 WeakPolarHBondContact CB-O 3.49Å; I201-A204 PolarHBondContact N-O 3.22Å; I201-A204 WeakPolarHBondContact O-CB 3.43Å; I201-A204 PolarHBondContact O-N 3.16Å; A202-A204 PolarHBondContact O-N 3.48Å
205R95.2Very high93.9Very high135 Ų13553.9 Ų53.951%0.50932%0.32SS..EExtended strand (participates in β ladder)trans-69.7131.5-178.8-68.4-176.6177.7173.6-1.8111.8V199 N200 G203 V207 T208V199-R205 WeakPolarHBondContact O-CA 3.49Å; N200-R205 HydrophobicContact CB-CG 4.16Å; G203-R205 PolarHBondContact O-N 3.42Å; R205-V207 VanDerWaalsContact C-N 3.33Å; R205-V207 HydrophobicContact CB-CG1 4.19Å; R205-V207 PolarHBondContact O-N 3.4Å; R205-T208 WeakPolarHBondContact O-CB 3.43Å; R205-T208 PolarHBondContact O-N 3.34Å
206L94.8Very high93.7Very high18 Ų1859.9 Ų59.99%0.09436%0.362CS..Hα-helixtrans-66.7-36.7179.8-59.3-171000111.9L169 F173 V199 T208 K209 N210 I213 Y222L169-L206 HydrophobicContact CD2-CD1 4.4Å; F173-L206 HydrophobicContact CE1-CD2 4.49Å; F173-L206 HydrophobicContact CE2-CD1 3.76Å; F173-L206 HydrophobicContact CE2-CD2 4.18Å; F173-L206 HydrophobicContact CZ-CD1 3.91Å; F173-L206 HydrophobicContact CZ-CD2 3.76Å; V199-L206 HydrophobicContact CB-CD1 4.41Å; V199-L206 HydrophobicContact CG1-CD1 3.57Å; V199-L206 HydrophobicContact CG1-CG 4.02Å; V199-L206 PolarHBondContact O-N 3.41Å; L206-T208 PolarHBondContact O-N 3.08Å; L206-K209 PolarHBondContact O-N 3.02Å; L206-N210 PolarHBondContact O-N 3.43Å; L206-I213 HydrophobicContact CB-CD1 3.54Å; L206-I213 HydrophobicContact CD1-CD1 4.04Å; L206-I213 HydrophobicContact CG-CD1 4.47Å; L206-Y222 HydrophobicContact CD1-CE1 4.18Å
207V93.6Very high93.7Very high42 Ų4262.6 Ų62.626%0.25538%0.384SS..Hα-helixtrans-60-27.3177.669.30000113.2R205 K209 N210 P211 I213R205-V207 VanDerWaalsContact C-N 3.33Å; R205-V207 HydrophobicContact CB-CG1 4.19Å; R205-V207 PolarHBondContact O-N 3.4Å; V207-K209 VanDerWaalsContact C-N 3.32Å; V207-K209 PolarHBondContact O-N 2.94Å; V207-N210 WeakPolarHBondContact CA-O 3.44Å; V207-N210 CarbonylContact O-C 3.57Å; V207-N210 VanDerWaalsContact O-C 3.22Å; V207-P211 WeakPolarHBondContact O-CA 3.49Å; V207-I213 HydrophobicContact CB-CG2 3.89Å; V207-I213 HydrophobicContact CG2-CG2 3.95Å
208T94Very high94Very high113 Ų11361.5 Ų61.569%0.69338%0.376SS*.Hα-helixtrans-68.4-33.1176.3-55.70000111.9R205 L206R205-T208 WeakPolarHBondContact O-CB 3.43Å; R205-T208 PolarHBondContact O-N 3.34Å; L206-T208 PolarHBondContact O-N 3.08Å
209K92.5Very high94.1Very high186 Ų18665.3 Ų65.381%0.80940%0.401SS*.Hα-helixtrans-86.5-34.8176.6-69.3-171.3175.5-177.30112.3L206 V207L206-K209 PolarHBondContact O-N 3.02Å; V207-K209 VanDerWaalsContact C-N 3.32Å; V207-K209 PolarHBondContact O-N 2.94Å
210N94.3Very high94.1Very high13 Ų1370 Ų707%0.0742%0.423CS..  trans-128.688.9178.9-178.92.1000109.7L206 V207 Q212 I213 D218L206-N210 PolarHBondContact O-N 3.43Å; V207-N210 WeakPolarHBondContact CA-O 3.44Å; V207-N210 CarbonylContact O-C 3.57Å; V207-N210 VanDerWaalsContact O-C 3.22Å; N210-Q212 PolarHBondContact O-N 3.47Å; N210-Q212 VanDerWaalsContact O-N 3.08Å; N210-Q212 PolarHBondContact OD1-N 3.42Å; N210-Q212 VanDerWaalsContact OD1-N 3.17Å; N210-I213 HydrophobicContact CB-CB 4.28Å; N210-I213 VanDerWaalsContact O-CB 3.28Å; N210-I213 WeakPolarHBondContact O-CB 3.05Å; N210-I213 VanDerWaalsContact O-CG2 3.26Å; N210-I213 WeakPolarHBondContact O-CG2 3.3Å; N210-I213 PolarHBondContact O-N 2.95Å; N210-I213 PolarHBondContact OD1-N 3.2Å; N210-D218 PolarHBondContact ND2-OD1 3.25Å
211P93.1Very high93.9Very high97 Ų9772 Ų7263%0.6343%0.434SS*.THydrogen-bonded Turntrans-61.6-16.4179-25.835.8000114.4V207V207-P211 WeakPolarHBondContact O-CA 3.49Å
212Q93.4Very high93.8Very high97 Ų9770.8 Ų70.845%0.45343%0.427SS..THydrogen-bonded Turntrans-97.57.4179.3-61.8-57.9-35.800112.6N210 G214 S215 D218N210-Q212 PolarHBondContact O-N 3.47Å; N210-Q212 VanDerWaalsContact O-N 3.08Å; N210-Q212 PolarHBondContact OD1-N 3.42Å; N210-Q212 VanDerWaalsContact OD1-N 3.17Å; Q212-G214 PolarHBondContact O-N 2.79Å; Q212-S215 VanDerWaalsContact O-CB 3.23Å; Q212-S215 WeakPolarHBondContact O-CB 3.38Å; Q212-S215 PolarHBondContact O-N 3.15Å; Q212-S215 PolarHBondContact O-OG 3.23Å; Q212-D218 WeakPolarHBondContact O-CB 3.15Å
213I93.8Very high93.7Very high12 Ų1270.2 Ų70.26%0.06241%0.406CS..THydrogen-bonded Turntrans-50.3129.8-175.9-172.6167.4000112.2W196 L206 V207 N210 S215 Y222W196-I213 HydrophobicContact CB-CG2 4.02Å; W196-I213 HydrophobicContact CD2-CD1 4.49Å; W196-I213 HydrophobicContact CD2-CG1 4.09Å; W196-I213 HydrophobicContact CE3-CD1 3.59Å; W196-I213 HydrophobicContact CE3-CG1 3.61Å; W196-I213 HydrophobicContact CZ3-CD1 3.95Å; W196-I213 HydrophobicContact CZ3-CG1 4.06Å; L206-I213 HydrophobicContact CB-CD1 3.54Å; L206-I213 HydrophobicContact CD1-CD1 4.04Å; L206-I213 HydrophobicContact CG-CD1 4.47Å; V207-I213 HydrophobicContact CB-CG2 3.89Å; V207-I213 HydrophobicContact CG2-CG2 3.95Å; N210-I213 HydrophobicContact CB-CB 4.28Å; N210-I213 VanDerWaalsContact O-CB 3.28Å; N210-I213 WeakPolarHBondContact O-CB 3.05Å; N210-I213 VanDerWaalsContact O-CG2 3.26Å; N210-I213 WeakPolarHBondContact O-CG2 3.3Å; N210-I213 PolarHBondContact O-N 2.95Å; N210-I213 PolarHBondContact OD1-N 3.2Å; I213-S215 PolarHBondContact O-N 2.99Å; I213-Y222 HydrophobicContact CD1-CD1 4.12Å; I213-Y222 HydrophobicContact CD1-CD2 4.11Å; I213-Y222 HydrophobicContact CD1-CE1 4.45Å; I213-Y222 HydrophobicContact CD1-CE2 4.42Å; I213-Y222 HydrophobicContact CD1-CG 3.96Å; I213-Y222 HydrophobicContact CG1-CD1 4.44Å; I213-Y222 HydrophobicContact CG1-CD2 3.88Å; I213-Y222 HydrophobicContact CG1-CG 3.81Å
214G90.8Very high93.7Very high14 Ų1471.6 Ų71.614%0.14440%0.4CS..THydrogen-bonded Turntrans76.6-7.9179.300000115.6Q212 D218Q212-G214 PolarHBondContact O-N 2.79Å; G214-D218 PolarHBondContact N-OD2 3.47Å
215S91.6Very high93.7Very high36 Ų3670 Ų7025%0.25238%0.383SS..SBendtrans-79.6169.8173.779.90000111.9Q212 I213 S217 D218Q212-S215 VanDerWaalsContact O-CB 3.23Å; Q212-S215 WeakPolarHBondContact O-CB 3.38Å; Q212-S215 PolarHBondContact O-N 3.15Å; Q212-S215 PolarHBondContact O-OG 3.23Å; I213-S215 PolarHBondContact O-N 2.99Å; S215-S217 PolarHBondContact O-N 3.17Å; S215-S217 PolarHBondContact OG-N 3.04Å; S215-D218 VanDerWaalsContact O-CB 3.24Å; S215-D218 WeakPolarHBondContact O-CB 3.29Å; S215-D218 PolarHBondContact O-N 2.76Å; S215-D218 PolarHBondContact OG-N 3.45Å
216S90.9Very high93.8Very high125 Ų12564.9 Ų64.987%0.87436%0.364SS*.THydrogen-bonded Turntrans-65.1-17.4169.551.40000113.5
217S93.4Very high93.8Very high82 Ų8266.4 Ų66.457%0.57337%0.37SS*.THydrogen-bonded Turntrans-97.17.2179.7-61.10000112.7S215 P219S215-S217 PolarHBondContact O-N 3.17Å; S215-S217 PolarHBondContact OG-N 3.04Å; S217-P219 WeakPolarHBondContact O-CD 3.26Å
218D94.5Very high93.9Very high11 Ų1167.4 Ų67.46%0.05938%0.38CS..  trans-69.1113.5177-174.7-8.7000111.2N210 Q212 G214 S215 E220 N221 Y222N210-D218 PolarHBondContact ND2-OD1 3.25Å; Q212-D218 WeakPolarHBondContact O-CB 3.15Å; G214-D218 PolarHBondContact N-OD2 3.47Å; S215-D218 VanDerWaalsContact O-CB 3.24Å; S215-D218 WeakPolarHBondContact O-CB 3.29Å; S215-D218 PolarHBondContact O-N 2.76Å; S215-D218 PolarHBondContact OG-N 3.45Å; D218-E220 PolarHBondContact O-N 3.19Å; D218-E220 PolarHBondContact OD1-N 3.15Å; D218-N221 PolarHBondContact O-N 3.28Å; D218-N221 VanDerWaalsContact O-N 3.1Å; D218-N221 PolarHBondContact OD1-N 3.25Å; D218-Y222 WeakPolarHBondContact OD2-CB 3.4Å; D218-Y222 VanDerWaalsContact OD2-CD2 3.32Å; D218-Y222 WeakPolarHBondContact OD2-CD2 3.4Å; D218-Y222 PolarHBondContact OD2-N 3.48Å
219P93.4Very high93.9Very high113 Ų11362 Ų6273%0.73435%0.347SS*.THydrogen-bonded Turntrans-65.5-23.6-178.728-35.6000113.1S217S217-P219 WeakPolarHBondContact O-CD 3.26Å
220E94.1Very high94Very high98 Ų9854.1 Ų54.146%0.45831%0.313SS..THydrogen-bonded Turntrans-96.8-2.7178.8-73.3-168.7-112.400113.1K172 D218 Y222K172-E220 WeakPolarHBondContact CE-OE2 3.32Å; K172-E220 IonicContact NZ-OE2 2.58Å; K172-E220 PolarHBondContact NZ-OE2 3.23Å; D218-E220 PolarHBondContact O-N 3.19Å; D218-E220 PolarHBondContact OD1-N 3.15Å; E220-Y222 VanDerWaalsContact C-N 3.33Å; E220-Y222 HydrophobicContact CB-CD2 3.62Å; E220-Y222 HydrophobicContact CB-CE2 3.41Å; E220-Y222 VanDerWaalsContact CB-CE2 3.41Å; E220-Y222 HydrophobicContact CG-CE2 4.01Å; E220-Y222 PolarHBondContact O-N 2.99Å; E220-Y222 PolarHBondContact OE1-OH 3.26Å; E220-Y222 VanDerWaalsContact OE2-CE2 3.26Å; E220-Y222 WeakPolarHBondContact OE2-CE2 3.49Å; E220-Y222 PolarHBondContact OE2-OH 3.35Å
221N93.4Very high94Very high73 Ų7359.1 Ų59.139%0.3933%0.334SS..  trans4947.2178.7-1591.7000113.7D218 K223 L224D218-N221 PolarHBondContact O-N 3.28Å; D218-N221 VanDerWaalsContact O-N 3.1Å; D218-N221 PolarHBondContact OD1-N 3.25Å; N221-K223 PolarHBondContact O-N 3.26Å; N221-L224 HydrophobicContact CB-CD1 4.37Å; N221-L224 WeakPolarHBondContact ND2-CD1 3.43Å; N221-L224 WeakPolarHBondContact ND2-CG 3.37Å; N221-L224 WeakPolarHBondContact O-CB 3.31Å; N221-L224 PolarHBondContact O-N 3.14Å
222Y95.5Very high93.9Very high8 Ų856.5 Ų56.53%0.03132%0.318CS..THydrogen-bonded Turntrans-58.1-22.4178-78.9-94.3000112.5L169 K172 F173 W196 L206 I213 D218 E220 L224 I225L169-Y222 HydrophobicContact CD2-CD1 3.92Å; L169-Y222 HydrophobicContact CD2-CE1 4.04Å; K172-Y222 HydrophobicContact CD-CD1 4.44Å; K172-Y222 HydrophobicContact CD-CE1 3.82Å; K172-Y222 WeakPolarHBondContact CE-OH 3.35Å; K172-Y222 PolarHBondContact NZ-OH 2.9Å; F173-Y222 HydrophobicContact CE2-CE1 4.08Å; F173-Y222 AromaticContact CZ-CE1 3.95Å; F173-Y222 HydrophobicContact CZ-CE1 3.95Å; F173-Y222 AromaticContact CZ-CZ 4Å; F173-Y222 WeakPolarHBondContact CZ-OH 3.3Å; W196-Y222 HydrophobicContact CH2-CD1 4.46Å; W196-Y222 WeakPolarHBondContact CH2-O 3.4Å; W196-Y222 WeakPolarHBondContact CZ2-O 3.39Å; W196-Y222 HydrophobicContact CZ3-CD1 4.11Å; W196-Y222 HydrophobicContact CZ3-CG 4.32Å; L206-Y222 HydrophobicContact CD1-CE1 4.18Å; I213-Y222 HydrophobicContact CD1-CD1 4.12Å; I213-Y222 HydrophobicContact CD1-CD2 4.11Å; I213-Y222 HydrophobicContact CD1-CE1 4.45Å; I213-Y222 HydrophobicContact CD1-CE2 4.42Å; I213-Y222 HydrophobicContact CD1-CG 3.96Å; I213-Y222 HydrophobicContact CG1-CD1 4.44Å; I213-Y222 HydrophobicContact CG1-CD2 3.88Å; I213-Y222 HydrophobicContact CG1-CG 3.81Å; D218-Y222 WeakPolarHBondContact OD2-CB 3.4Å; D218-Y222 VanDerWaalsContact OD2-CD2 3.32Å; D218-Y222 WeakPolarHBondContact OD2-CD2 3.4Å; D218-Y222 PolarHBondContact OD2-N 3.48Å; E220-Y222 VanDerWaalsContact C-N 3.33Å; E220-Y222 HydrophobicContact CB-CD2 3.62Å; E220-Y222 HydrophobicContact CB-CE2 3.41Å; E220-Y222 VanDerWaalsContact CB-CE2 3.41Å; E220-Y222 HydrophobicContact CG-CE2 4.01Å; E220-Y222 PolarHBondContact O-N 2.99Å; E220-Y222 PolarHBondContact OE1-OH 3.26Å; E220-Y222 VanDerWaalsContact OE2-CE2 3.26Å; E220-Y222 WeakPolarHBondContact OE2-CE2 3.49Å; E220-Y222 PolarHBondContact OE2-OH 3.35Å; Y222-L224 PolarHBondContact O-N 2.89Å; Y222-I225 HydrophobicContact CD1-CD1 3.78Å; Y222-I225 HydrophobicContact CE1-CD1 4.28Å; Y222-I225 VanDerWaalsContact O-CB 3.3Å; Y222-I225 WeakPolarHBondContact O-CB 3.23Å; Y222-I225 PolarHBondContact O-N 2.84Å
223K94.4Very high93.7Very high87 Ų8753.4 Ų53.438%0.37831%0.306SS..Hα-helixtrans-52-37172.3-167.6-177.5-178.4-117.10112.5N221 I225 Y226 E227N221-K223 PolarHBondContact O-N 3.26Å; K223-I225 VanDerWaalsContact C-N 3.26Å; K223-I225 PolarHBondContact O-N 2.92Å; K223-Y226 PolarHBondContact O-N 2.87Å; K223-E227 WeakPolarHBondContact CE-OE1 3.45Å; K223-E227 HydrophobicContact CG-CG 4.48Å; K223-E227 IonicContact NZ-OE1 2.65Å; K223-E227 PolarHBondContact NZ-OE1 2.58Å; K223-E227 WeakPolarHBondContact O-CG 3.33Å; K223-E227 PolarHBondContact O-N 2.59Å
224L95.5Very high93.5Very high86 Ų8658.6 Ų58.645%0.4533%0.33SS..Hα-helixtrans-62.3-31.8176.4-72179.1000112.9N221 Y222 E227 S228N221-L224 HydrophobicContact CB-CD1 4.37Å; N221-L224 WeakPolarHBondContact ND2-CD1 3.43Å; N221-L224 WeakPolarHBondContact ND2-CG 3.37Å; N221-L224 WeakPolarHBondContact O-CB 3.31Å; N221-L224 PolarHBondContact O-N 3.14Å; Y222-L224 PolarHBondContact O-N 2.89Å; L224-E227 PolarHBondContact O-N 3.31Å; L224-S228 VanDerWaalsContact O-CB 3.28Å; L224-S228 WeakPolarHBondContact O-CB 3.16Å; L224-S228 PolarHBondContact O-N 3.08Å; L224-S228 PolarHBondContact O-OG 3.26Å; L224-S228 VanDerWaalsContact O-OG 3.05Å
225I96.3Very high93.6Very high24 Ų2461.9 Ų61.912%0.12334%0.341CS..Hα-helixtrans-64.4-45.1176.7-64.1176.8000110.4F165 L168 L169 K172 Y222 K223 S228 A229F165-I225 HydrophobicContact CD2-CG2 4.14Å; F165-I225 HydrophobicContact CE2-CG2 4.21Å; L168-I225 HydrophobicContact CB-CG2 3.62Å; L168-I225 HydrophobicContact CD1-CG2 4.38Å; L168-I225 WeakPolarHBondContact CD1-O 3.24Å; L169-I225 HydrophobicContact CD2-CD1 3.83Å; L169-I225 HydrophobicContact CD2-CG2 4.21Å; L169-I225 HydrophobicContact CG-CG2 4.09Å; K172-I225 HydrophobicContact CB-CD1 4.38Å; K172-I225 HydrophobicContact CD-CD1 3.56Å; Y222-I225 HydrophobicContact CD1-CD1 3.78Å; Y222-I225 HydrophobicContact CE1-CD1 4.28Å; Y222-I225 VanDerWaalsContact O-CB 3.3Å; Y222-I225 WeakPolarHBondContact O-CB 3.23Å; Y222-I225 PolarHBondContact O-N 2.84Å; K223-I225 VanDerWaalsContact C-N 3.26Å; K223-I225 PolarHBondContact O-N 2.92Å; I225-S228 PolarHBondContact O-N 2.99Å; I225-A229 PolarHBondContact O-N 2.98Å
226Y95.8Very high93.6Very high28 Ų2862.6 Ų62.611%0.1134%0.342CS..Hα-helixtrans-62-49.2173.6165.5-108.1000111.3I184 S192 P194 K223 S228 A229 I230I184-Y226 HydrophobicContact CD1-CD2 3.76Å; I184-Y226 HydrophobicContact CD1-CE2 3.9Å; I184-Y226 HydrophobicContact CG1-CD2 4.36Å; I184-Y226 HydrophobicContact CG1-CE2 4.42Å; I184-Y226 HydrophobicContact CG2-CE2 4.48Å; S192-Y226 PolarHBondContact O-OH 2.93Å; S192-Y226 PolarHBondContact OG-OH 3.5Å; P194-Y226 HydrophobicContact CB-CD2 3.69Å; P194-Y226 HydrophobicContact CB-CE2 4.2Å; P194-Y226 HydrophobicContact CB-CG 4.05Å; P194-Y226 HydrophobicContact CG-CD1 3.97Å; P194-Y226 HydrophobicContact CG-CD2 3.63Å; P194-Y226 HydrophobicContact CG-CE1 4.25Å; P194-Y226 HydrophobicContact CG-CE2 3.94Å; P194-Y226 HydrophobicContact CG-CG 3.65Å; K223-Y226 PolarHBondContact O-N 2.87Å; Y226-S228 VanDerWaalsContact C-N 3.3Å; Y226-S228 PolarHBondContact O-N 2.89Å; Y226-A229 WeakPolarHBondContact O-CB 3.48Å; Y226-A229 PolarHBondContact O-N 2.96Å; Y226-I230 HydrophobicContact CD2-CG1 4.09Å; Y226-I230 HydrophobicContact CE1-CG1 4.42Å; Y226-I230 HydrophobicContact CE2-CD1 3.82Å; Y226-I230 HydrophobicContact CE2-CG1 3.49Å; Y226-I230 VanDerWaalsContact CE2-CG1 3.49Å; Y226-I230 PolarHBondContact O-N 3.21Å; Y226-I230 VanDerWaalsContact O-N 3.09Å
227E95.2Very high93.5Very high49 Ų4959.8 Ų59.823%0.22932%0.317CS..Hα-helixtrans-59.9-40179-69.5-177.8-168.200112.3K223 L224 I230 K231K223-E227 WeakPolarHBondContact CE-OE1 3.45Å; K223-E227 HydrophobicContact CG-CG 4.48Å; K223-E227 IonicContact NZ-OE1 2.65Å; K223-E227 PolarHBondContact NZ-OE1 2.58Å; K223-E227 WeakPolarHBondContact O-CG 3.33Å; K223-E227 PolarHBondContact O-N 2.59Å; L224-E227 PolarHBondContact O-N 3.31Å; E227-I230 PolarHBondContact O-N 2.92Å; E227-K231 VanDerWaalsContact O-CB 3.27Å; E227-K231 WeakPolarHBondContact O-CB 3.21Å; E227-K231 VanDerWaalsContact O-CG 3.24Å; E227-K231 WeakPolarHBondContact O-CG 3.34Å; E227-K231 PolarHBondContact O-N 3.37Å; E227-K231 IonicContact OE2-NZ 3.44Å; E227-K231 PolarHBondContact OE2-NZ 3.24Å
228S95.6Very high93.5Very high64 Ų6464 Ų6445%0.44832%0.321SS..Hα-helixtrans-64.3-38.9174-70.50000112.3L224 I225 Y226 S232L224-S228 VanDerWaalsContact O-CB 3.28Å; L224-S228 WeakPolarHBondContact O-CB 3.16Å; L224-S228 PolarHBondContact O-N 3.08Å; L224-S228 PolarHBondContact O-OG 3.26Å; L224-S228 VanDerWaalsContact O-OG 3.05Å; I225-S228 PolarHBondContact O-N 2.99Å; Y226-S228 VanDerWaalsContact C-N 3.3Å; Y226-S228 PolarHBondContact O-N 2.89Å; S228-S232 VanDerWaalsContact O-CB 3.29Å; S228-S232 WeakPolarHBondContact O-CB 3.34Å; S228-S232 PolarHBondContact O-N 3.04Å
229A95Very high93.5Very high0 Ų069.1 Ų69.10%035%0.347CS..Hα-helixtrans-60.4-48.2176.100000111.1R164 F165 L168 I225 Y226 S232R164-A229 HydrophobicContact CB-CB 4.06Å; F165-A229 HydrophobicContact CB-CB 4.31Å; L168-A229 HydrophobicContact CD1-CB 4.02Å; I225-A229 PolarHBondContact O-N 2.98Å; Y226-A229 WeakPolarHBondContact O-CB 3.48Å; Y226-A229 PolarHBondContact O-N 2.96Å; A229-S232 PolarHBondContact O-N 3.34Å; A229-S232 PolarHBondContact O-OG 2.87Å
230I94.5Very high93.6Very high20 Ų2068.5 Ų68.510%0.10333%0.333CS..Hα-helixtrans-68-49.9-179.5-58.8-53000111.5D161 I184 S192 Y226 E227 S232 T233D161-I230 HydrophobicContact CB-CD1 4.11Å; I184-I230 HydrophobicContact CD1-CD1 4.32Å; S192-I230 WeakPolarHBondContact OG-CD1 3.46Å; Y226-I230 HydrophobicContact CD2-CG1 4.09Å; Y226-I230 HydrophobicContact CE1-CG1 4.42Å; Y226-I230 HydrophobicContact CE2-CD1 3.82Å; Y226-I230 HydrophobicContact CE2-CG1 3.49Å; Y226-I230 VanDerWaalsContact CE2-CG1 3.49Å; Y226-I230 PolarHBondContact O-N 3.21Å; Y226-I230 VanDerWaalsContact O-N 3.09Å; E227-I230 PolarHBondContact O-N 2.92Å; I230-S232 PolarHBondContact O-N 3.37Å; I230-T233 PolarHBondContact O-N 3.45Å
231K93.7Very high93.4Very high118 Ų11866.3 Ų66.351%0.51334%0.337SS..Hα-helixtrans-63.2-25179.8-71171-179.8166.50113.1E227 T233 E234 E235E227-K231 VanDerWaalsContact O-CB 3.27Å; E227-K231 WeakPolarHBondContact O-CB 3.21Å; E227-K231 VanDerWaalsContact O-CG 3.24Å; E227-K231 WeakPolarHBondContact O-CG 3.34Å; E227-K231 PolarHBondContact O-N 3.37Å; E227-K231 IonicContact OE2-NZ 3.44Å; E227-K231 PolarHBondContact OE2-NZ 3.24Å; K231-T233 PolarHBondContact O-N 2.87Å; K231-E234 PolarHBondContact O-N 2.91Å; K231-E234 VanDerWaalsContact O-N 3.13Å; K231-E235 PolarHBondContact O-N 2.76Å; K231-E235 VanDerWaalsContact O-N 3.11Å
232S92.1Very high93.2Very high42 Ų4264.7 Ų64.729%0.29433%0.331SS..Hα-helixtrans-59.8-27.1177.5760000113.1R164 S228 A229 I230 L236R164-S232 WeakPolarHBondContact CD-OG 3.33Å; S228-S232 VanDerWaalsContact O-CB 3.29Å; S228-S232 WeakPolarHBondContact O-CB 3.34Å; S228-S232 PolarHBondContact O-N 3.04Å; A229-S232 PolarHBondContact O-N 3.34Å; A229-S232 PolarHBondContact O-OG 2.87Å; I230-S232 PolarHBondContact O-N 3.37Å; S232-L236 WeakPolarHBondContact O-CB 3.4Å; S232-L236 PolarHBondContact O-N 3.19Å
233T88.5Confident92.9Very high32 Ų3265.8 Ų65.820%0.19634%0.337CS..Hα-helixtrans-68.4-43.2176.3-61.40000111.5R164 I230 K231 L236 N237R164-T233 PolarHBondContact NH1-OG1 3.03Å; R164-T233 PolarHBondContact NH2-OG1 3.2Å; I230-T233 PolarHBondContact O-N 3.45Å; K231-T233 PolarHBondContact O-N 2.87Å; T233-L236 PolarHBondContact O-N 2.95Å; T233-N237 WeakPolarHBondContact O-CB 3.03Å; T233-N237 VanDerWaalsContact O-CG 3.24Å; T233-N237 PolarHBondContact O-N 3.32Å; T233-N237 PolarHBondContact O-ND2 3.49Å
234E88.3Confident92.9Very high120 Ų12062 Ų6256%0.56132%0.321SS*.Hα-helixtrans-64.2-45.1176.6-58.6-171.8145.100111K231 L236 N237 R238K231-E234 PolarHBondContact O-N 2.91Å; K231-E234 VanDerWaalsContact O-N 3.13Å; E234-L236 PolarHBondContact O-N 3.45Å; E234-N237 PolarHBondContact O-N 3.34Å; E234-R238 WeakPolarHBondContact O-CB 3.38Å; E234-R238 PolarHBondContact O-N 2.83Å
235E93Very high93Very high84 Ų8465.7 Ų65.739%0.39333%0.33SS..Hα-helixtrans-62.7-44.2178.3-179.463.3178.900111.6K231 N237 R238 L239K231-E235 PolarHBondContact O-N 2.76Å; K231-E235 VanDerWaalsContact O-N 3.11Å; E235-N237 PolarHBondContact O-N 2.9Å; E235-R238 WeakPolarHBondContact O-CB 3.26Å; E235-R238 PolarHBondContact O-N 3.43Å; E235-R238 IonicContact OE1-CZ 2.65Å; E235-R238 IonicContact OE1-NE 2.72Å; E235-R238 IonicContact OE1-NH2 3.76Å; E235-R238 PolarHBondContact OE1-NH2 3.02Å; E235-R238 IonicContact OE2-CZ 2.66Å; E235-R238 VanDerWaalsContact OE2-CZ 3.29Å; E235-R238 IonicContact OE2-NE 3.6Å; E235-R238 PolarHBondContact OE2-NE 2.92Å; E235-R238 IonicContact OE2-NH2 3.93Å; E235-R238 PolarHBondContact OE2-NH2 3.15Å; E235-L239 HydrophobicContact CG-CD1 3.98Å; E235-L239 WeakPolarHBondContact O-CB 3.24Å; E235-L239 VanDerWaalsContact O-CG 3.3Å; E235-L239 WeakPolarHBondContact O-CG 3.49Å; E235-L239 PolarHBondContact O-N 2.87Å
236L92.4Very high93Very high51 Ų5166.7 Ų66.727%0.26734%0.339SS..Hα-helixtrans-59.8-46.3174.6-176.8158.4000111.2S232 T233 E234 R238 L239 K240 C242 N243S232-L236 WeakPolarHBondContact O-CB 3.4Å; S232-L236 PolarHBondContact O-N 3.19Å; T233-L236 PolarHBondContact O-N 2.95Å; E234-L236 PolarHBondContact O-N 3.45Å; L236-R238 VanDerWaalsContact C-N 3.29Å; L236-R238 PolarHBondContact O-N 3.49Å; L236-L239 PolarHBondContact O-N 3.35Å; L236-K240 PolarHBondContact O-N 3.39Å; L236-C242 WeakPolarHBondContact CD2-O 3.37Å; L236-N243 HydrophobicContact CD2-CB 4.03Å
237N89.5Confident93.1Very high66 Ų6665.7 Ų65.735%0.35334%0.335SS..Hα-helixtrans-64.2-35.6178.8-73.5-21.6000111.7T233 E234 E235 G241 C242T233-N237 WeakPolarHBondContact O-CB 3.03Å; T233-N237 VanDerWaalsContact O-CG 3.24Å; T233-N237 PolarHBondContact O-N 3.32Å; T233-N237 PolarHBondContact O-ND2 3.49Å; E234-N237 PolarHBondContact O-N 3.34Å; E235-N237 PolarHBondContact O-N 2.9Å; N237-G241 WeakPolarHBondContact O-CA 3.45Å; N237-G241 PolarHBondContact O-N 2.94Å; N237-C242 WeakPolarHBondContact OD1-CA 3.34Å
238R92.8Very high93.2Very high170 Ų17063.3 Ų63.364%0.64232%0.324SS*.Hα-helixtrans-64.9-41.5174.1-170.6-175.368.377.9-3.3112.2E234 E235 L236E234-R238 WeakPolarHBondContact O-CB 3.38Å; E234-R238 PolarHBondContact O-N 2.83Å; E235-R238 WeakPolarHBondContact O-CB 3.26Å; E235-R238 PolarHBondContact O-N 3.43Å; E235-R238 IonicContact OE1-CZ 2.65Å; E235-R238 IonicContact OE1-NE 2.72Å; E235-R238 IonicContact OE1-NH2 3.76Å; E235-R238 PolarHBondContact OE1-NH2 3.02Å; E235-R238 IonicContact OE2-CZ 2.66Å; E235-R238 VanDerWaalsContact OE2-CZ 3.29Å; E235-R238 IonicContact OE2-NE 3.6Å; E235-R238 PolarHBondContact OE2-NE 2.92Å; E235-R238 IonicContact OE2-NH2 3.93Å; E235-R238 PolarHBondContact OE2-NH2 3.15Å; L236-R238 VanDerWaalsContact C-N 3.29Å; L236-R238 PolarHBondContact O-N 3.49Å
239L95.4Very high93.3Very high118 Ų11865.9 Ų65.962%0.61833%0.332SS*.Hα-helixtrans-82.5-43.4-175.1-68.2173.8000113.7E235 L236E235-L239 HydrophobicContact CG-CD1 3.98Å; E235-L239 WeakPolarHBondContact O-CB 3.24Å; E235-L239 VanDerWaalsContact O-CG 3.3Å; E235-L239 WeakPolarHBondContact O-CG 3.49Å; E235-L239 PolarHBondContact O-N 2.87Å; L236-L239 PolarHBondContact O-N 3.35Å
240K93.7Very high93.5Very high100 Ų10066.4 Ų66.444%0.43534%0.336SS..Hα-helixtrans-113.4-15.8-172.4177.3167.8171.1-85.80113.4L236 C242 S244L236-K240 PolarHBondContact O-N 3.39Å; K240-C242 VanDerWaalsContact C-N 3.32Å; K240-C242 PolarHBondContact NZ-O 3.02Å; K240-C242 PolarHBondContact O-N 3.46Å; K240-S244 PolarHBondContact NZ-OG 3.43Å
241G90.6Very high93.7Very high53 Ų5365.4 Ų65.455%0.54633%0.331SS..SBendtrans90.7-35.1-178.700000114.7N237N237-G241 WeakPolarHBondContact O-CA 3.45Å; N237-G241 PolarHBondContact O-N 2.94Å
242C88.7Confident93.9Very high38 Ų3860.8 Ų60.826%0.25731%0.313SS..SBendtrans-158.3154.2175.764.20000113.4L236 N237 K240L236-C242 WeakPolarHBondContact CD2-O 3.37Å; N237-C242 WeakPolarHBondContact OD1-CA 3.34Å; K240-C242 VanDerWaalsContact C-N 3.32Å; K240-C242 PolarHBondContact NZ-O 3.02Å; K240-C242 PolarHBondContact O-N 3.46Å
243N89.1Confident94.2Very high32 Ų3260.2 Ų60.217%0.17131%0.312CS..  trans-76.5117.9162.857.5-24.5000109.5V29 L236 I247V29-N243 WeakPolarHBondContact CG2-O 3.3Å; L236-N243 HydrophobicContact CD2-CB 4.03Å; N243-I247 VanDerWaalsContact O-CG2 3.3Å; N243-I247 WeakPolarHBondContact O-CG2 3.28Å
244S95.5Very high94.6Very high6 Ų658.7 Ų58.74%0.04230%0.302CS..  trans-120.1-58.6177.159.70000110.5A28 S32 K240 S246 I247 G248A28-S244 VanDerWaalsContact O-CB 3.3Å; A28-S244 WeakPolarHBondContact O-CB 3.47Å; S32-S244 WeakPolarHBondContact CB-O 3.47Å; S32-S244 VanDerWaalsContact OG-C 3.27Å; S32-S244 PolarHBondContact OG-O 3.2Å; K240-S244 PolarHBondContact NZ-OG 3.43Å; S244-S246 PolarHBondContact O-N 2.65Å; S244-I247 WeakPolarHBondContact O-CG2 3.29Å; S244-I247 PolarHBondContact O-N 3.03Å; S244-G248 PolarHBondContact O-N 3.49Å
245W96.9Very high95.1Very high165 Ų16553 Ų5363%0.62528%0.276SS*.Hα-helixtrans-60.8-50.5-175.2-48.4130.9000113.8S32 I247 G248 L249S32-W245 WeakPolarHBondContact OG-CA 3.14Å; S32-W245 VanDerWaalsContact OG-CE3 3.31Å; W245-I247 VanDerWaalsContact C-N 3.34Å; W245-I247 PolarHBondContact O-N 3.12Å; W245-G248 PolarHBondContact O-N 3Å; W245-L249 WeakPolarHBondContact O-CG 3.31Å; W245-L249 PolarHBondContact O-N 3.43Å
246S96.6Very high95.3Very high45 Ų4551.3 Ų51.332%0.31527%0.269SS..Hα-helixtrans-64.4-39.1-178.154.70000112.2L160 S244 A250L160-S246 WeakPolarHBondContact CD2-O 3.39Å; S244-S246 PolarHBondContact O-N 2.65Å; S246-A250 WeakPolarHBondContact O-CB 3.5Å; S246-A250 PolarHBondContact O-N 2.94Å
247I97.3Very high95.6Very high6 Ų648.9 Ų48.93%0.03126%0.257CS..Hα-helixtrans-72-34.1177.2-169.162.2000111.8V29 V131 T156 L160 N243 S244 W245 A250 C251V29-I247 HydrophobicContact CG1-CG1 4.43Å; V29-I247 HydrophobicContact CG1-CG2 3.89Å; V29-I247 HydrophobicContact CG2-CG2 4.3Å; V131-I247 HydrophobicContact CG1-CD1 4.09Å; V131-I247 HydrophobicContact CG1-CG1 3.7Å; T156-I247 HydrophobicContact CG2-CD1 3.97Å; L160-I247 HydrophobicContact CD1-CB 3.98Å; L160-I247 HydrophobicContact CD1-CD1 3.92Å; L160-I247 HydrophobicContact CG-CD1 4.42Å; N243-I247 VanDerWaalsContact O-CG2 3.3Å; N243-I247 WeakPolarHBondContact O-CG2 3.28Å; S244-I247 WeakPolarHBondContact O-CG2 3.29Å; S244-I247 PolarHBondContact O-N 3.03Å; W245-I247 VanDerWaalsContact C-N 3.34Å; W245-I247 PolarHBondContact O-N 3.12Å; I247-A250 PolarHBondContact O-N 3.36Å; I247-C251 WeakPolarHBondContact O-CB 3.49Å; I247-C251 PolarHBondContact O-N 3.02Å; I247-C251 PolarHBondContact O-SG 3.31Å
248G98.1Very high96Very high0 Ų046.1 Ų46.10%024%0.242CC..Hα-helixtrans-55.7-52.9170.100000112.2S244 W245 A250 C251 C252S244-G248 PolarHBondContact O-N 3.49Å; W245-G248 PolarHBondContact O-N 3Å; G248-A250 PolarHBondContact O-N 3.48Å; G248-C251 PolarHBondContact O-N 3.13Å; G248-C252 WeakPolarHBondContact O-CB 3.44Å; G248-C252 PolarHBondContact O-N 3.36Å
249L97.9Very high96.2Very high117 Ų11739.8 Ų39.861%0.61322%0.22SC*.Hα-helixtrans-63.5-40.8177.7-65.8174.9000112.7W245 C252 A253W245-L249 WeakPolarHBondContact O-CG 3.31Å; W245-L249 PolarHBondContact O-N 3.43Å; L249-C252 PolarHBondContact O-N 3.04Å; L249-A253 PolarHBondContact O-N 2.95Å
250A98.1Very high96.3Very high11 Ų1140.1 Ų40.19%0.09121%0.214CC..Hα-helixtrans-64.7-42.4177.400000112.6I159 L160 S246 I247 G248 A253 I254I159-A250 HydrophobicContact CD1-CB 4.22Å; I159-A250 HydrophobicContact CG2-CB 4.07Å; L160-A250 HydrophobicContact CD2-CB 3.72Å; L160-A250 HydrophobicContact CG-CB 4.4Å; S246-A250 WeakPolarHBondContact O-CB 3.5Å; S246-A250 PolarHBondContact O-N 2.94Å; I247-A250 PolarHBondContact O-N 3.36Å; G248-A250 PolarHBondContact O-N 3.48Å; A250-A253 PolarHBondContact O-N 3.24Å; A250-I254 WeakPolarHBondContact O-CG1 3.25Å; A250-I254 PolarHBondContact O-N 2.75Å; A250-I254 VanDerWaalsContact O-N 3.11Å
251C98.6Very high96.4Very high0 Ų038.5 Ų38.50%021%0.21CC..Hα-helixtrans-66.9-38.3175.5-65.40000111.5I33 L129 I247 G248 I254 C255I33-C251 HydrophobicContact CD1-CB 4.16Å; I33-C251 HydrophobicContact CG1-CB 3.93Å; I33-C251 HydrophobicContact CG2-CB 4.13Å; L129-C251 HydrophobicContact CD2-CB 4.22Å; I247-C251 WeakPolarHBondContact O-CB 3.49Å; I247-C251 PolarHBondContact O-N 3.02Å; I247-C251 PolarHBondContact O-SG 3.31Å; G248-C251 PolarHBondContact O-N 3.13Å; C251-I254 PolarHBondContact O-N 3.4Å; C251-C255 WeakPolarHBondContact O-CB 3.48Å; C251-C255 PolarHBondContact O-N 3.23Å; C251-C255 PolarHBondContact O-SG 3.18Å
252C98.3Very high96.8Very high20 Ų2040 Ų4014%0.13521%0.206CC..Hα-helixtrans-58.1-49.2173.4179.20000111.1S36 L37 G248 L249 I254 C255 D256S36-C252 PolarHBondContact O-SG 3.23Å; L37-C252 HydrophobicContact CD2-CB 4.4Å; G248-C252 WeakPolarHBondContact O-CB 3.44Å; G248-C252 PolarHBondContact O-N 3.36Å; L249-C252 PolarHBondContact O-N 3.04Å; C252-I254 VanDerWaalsContact C-N 3.32Å; C252-I254 PolarHBondContact O-N 2.93Å; C252-C255 PolarHBondContact O-N 3.44Å; C252-C255 VanDerWaalsContact O-N 3.11Å; C252-D256 VanDerWaalsContact O-CB 3.3Å; C252-D256 WeakPolarHBondContact O-CB 3.37Å; C252-D256 PolarHBondContact O-N 3.17Å
253A98Very high97.2Very high31 Ų3142.7 Ų42.726%0.25621%0.214SC..Hα-helixtrans-59.5-38.9177.600000113.4L249 A250 A257L249-A253 PolarHBondContact O-N 2.95Å; A250-A253 PolarHBondContact O-N 3.24Å; A253-A257 PolarHBondContact O-N 2.94Å
254I98.6Very high97.6Very high0 Ų043 Ų430%022%0.217CC..Hα-helixtrans-65.7-47173.8-69.3169.4000110.8L129 F154 I159 A250 C251 C252 D256 A257 I258 Y266 I268 I290L129-I254 HydrophobicContact CD1-CD1 4.23Å; L129-I254 HydrophobicContact CD1-CG2 4.25Å; L129-I254 HydrophobicContact CD2-CB 4.34Å; L129-I254 HydrophobicContact CD2-CG2 3.92Å; F154-I254 HydrophobicContact CE2-CG2 3.72Å; F154-I254 HydrophobicContact CZ-CG2 4.23Å; I159-I254 HydrophobicContact CD1-CD1 3.91Å; I159-I254 HydrophobicContact CD1-CG1 4.03Å; A250-I254 WeakPolarHBondContact O-CG1 3.25Å; A250-I254 PolarHBondContact O-N 2.75Å; A250-I254 VanDerWaalsContact O-N 3.11Å; C251-I254 PolarHBondContact O-N 3.4Å; C252-I254 VanDerWaalsContact C-N 3.32Å; C252-I254 PolarHBondContact O-N 2.93Å; I254-D256 VanDerWaalsContact C-N 3.34Å; I254-D256 PolarHBondContact O-N 2.95Å; I254-A257 PolarHBondContact O-N 3.32Å; I254-I258 HydrophobicContact CG2-CD1 4.07Å; I254-I258 WeakPolarHBondContact O-CG1 3.2Å; I254-I258 PolarHBondContact O-N 3.46Å; I254-Y266 HydrophobicContact CG1-CD2 4.31Å; I254-I268 HydrophobicContact CD1-CG2 4.04Å; I254-I290 HydrophobicContact CG1-CD1 4.37Å; I254-I290 HydrophobicContact CG2-CD1 4.17Å
255C98.5Very high97.7Very high0 Ų046 Ų460%023%0.232CC..Hα-helixtrans-63.8-41.3-179.2-67.10000111.4I21 L37 I40 I87 C251 C252 A257 I258 I259I21-C255 HydrophobicContact CD1-CB 3.87Å; L37-C255 HydrophobicContact CD2-CB 3.82Å; I40-C255 HydrophobicContact CD1-CB 3.8Å; I87-C255 HydrophobicContact CD1-CB 3.83Å; C251-C255 WeakPolarHBondContact O-CB 3.48Å; C251-C255 PolarHBondContact O-N 3.23Å; C251-C255 PolarHBondContact O-SG 3.18Å; C252-C255 PolarHBondContact O-N 3.44Å; C252-C255 VanDerWaalsContact O-N 3.11Å; C255-A257 VanDerWaalsContact C-N 3.33Å; C255-A257 PolarHBondContact O-N 2.94Å; C255-I258 PolarHBondContact O-N 3.07Å; C255-I258 VanDerWaalsContact O-N 3.09Å; C255-I259 WeakPolarHBondContact O-CG1 3.38Å; C255-I259 PolarHBondContact O-N 2.84Å
256D97.4Very high97.8Very high49 Ų4940.6 Ų40.626%0.26221%0.212SC..Hα-helixtrans-56.6-45.7175-166.257.7000111.3I40 C252 I254 I258 I259 Y260 L262I40-D256 HydrophobicContact CD1-CB 4.09Å; C252-D256 VanDerWaalsContact O-CB 3.3Å; C252-D256 WeakPolarHBondContact O-CB 3.37Å; C252-D256 PolarHBondContact O-N 3.17Å; I254-D256 VanDerWaalsContact C-N 3.34Å; I254-D256 PolarHBondContact O-N 2.95Å; D256-I258 VanDerWaalsContact C-N 3.26Å; D256-I258 PolarHBondContact O-N 3.32Å; D256-I259 PolarHBondContact O-N 3.37Å; D256-Y260 WeakPolarHBondContact O-CD2 3.37Å; D256-Y260 PolarHBondContact O-N 3.29Å; D256-Y260 WeakPolarHBondContact OD1-CD2 3.4Å; D256-Y260 WeakPolarHBondContact OD1-CE2 3.37Å; D256-L262 WeakPolarHBondContact OD2-CD1 3.48Å
257A98.1Very high97.9Very high0 Ų038.8 Ų38.80%020%0.199CC..Hα-helixtrans-61.5-31.8176.400000113.8A253 I254 C255 N261 L262 Y266 I290A253-A257 PolarHBondContact O-N 2.94Å; I254-A257 PolarHBondContact O-N 3.32Å; C255-A257 VanDerWaalsContact C-N 3.33Å; C255-A257 PolarHBondContact O-N 2.94Å; A257-N261 CarbonylContact O-C 3.47Å; A257-N261 WeakPolarHBondContact O-CA 3.46Å; A257-N261 PolarHBondContact O-N 3.43Å; A257-L262 HydrophobicContact CB-CB 4.36Å; A257-L262 PolarHBondContact O-N 2.86Å; A257-Y266 HydrophobicContact CB-CE2 4.27Å; A257-I290 HydrophobicContact CB-CB 4.45Å; A257-I290 HydrophobicContact CB-CG2 4.38Å
258I98.1Very high97.9Very high7 Ų738.5 Ų38.54%0.03620%0.197CC..Hα-helixtrans-79.2-53.8177.9-60.6162.3000110.2I87 V127 F154 I254 C255 D256 Y260 N261 I290 S292I87-I258 HydrophobicContact CD1-CB 3.86Å; I87-I258 HydrophobicContact CD1-CD1 3.91Å; I87-I258 HydrophobicContact CD1-CG2 3.89Å; I87-I258 HydrophobicContact CG1-CB 4.49Å; I87-I258 HydrophobicContact CG1-CD1 4.28Å; I87-I258 HydrophobicContact CG1-CG2 4.01Å; V127-I258 HydrophobicContact CG1-CD1 4.21Å; F154-I258 HydrophobicContact CZ-CD1 3.85Å; I254-I258 HydrophobicContact CG2-CD1 4.07Å; I254-I258 WeakPolarHBondContact O-CG1 3.2Å; I254-I258 PolarHBondContact O-N 3.46Å; C255-I258 PolarHBondContact O-N 3.07Å; C255-I258 VanDerWaalsContact O-N 3.09Å; D256-I258 VanDerWaalsContact C-N 3.26Å; D256-I258 PolarHBondContact O-N 3.32Å; I258-Y260 VanDerWaalsContact C-N 3.34Å; I258-Y260 PolarHBondContact O-N 2.82Å; I258-N261 PolarHBondContact O-N 3.06Å; I258-I290 HydrophobicContact CD1-CG2 4.24Å; I258-I290 HydrophobicContact CG1-CG2 3.53Å; I258-S292 VanDerWaalsContact O-CA 3.3Å; I258-S292 WeakPolarHBondContact O-CA 3.05Å; I258-S292 WeakPolarHBondContact O-CB 3.21Å
259I96.9Very high98Very high38 Ų3838.5 Ų38.520%0.19520%0.197CC..Hα-helixtrans-59.9-44.1-176.1-67.1-53.2000111.1I21 D86 I87 C255 D256I21-I259 HydrophobicContact CD1-CG1 4.33Å; D86-I259 HydrophobicContact CB-CD1 4.01Å; I87-I259 HydrophobicContact CD1-CD1 3.8Å; I87-I259 HydrophobicContact CD1-CG1 3.89Å; I87-I259 HydrophobicContact CG1-CD1 4.34Å; C255-I259 WeakPolarHBondContact O-CG1 3.38Å; C255-I259 PolarHBondContact O-N 2.84Å; D256-I259 PolarHBondContact O-N 3.37Å
260Y96.4Very high98Very high125 Ų12533 Ų3349%0.4917%0.169SC..THydrogen-bonded Turntrans-95.96.1-179.5-61.8-72.4000113.9I40 D256 I258 L262I40-Y260 HydrophobicContact CB-CE2 4.4Å; D256-Y260 WeakPolarHBondContact O-CD2 3.37Å; D256-Y260 PolarHBondContact O-N 3.29Å; D256-Y260 WeakPolarHBondContact OD1-CD2 3.4Å; D256-Y260 WeakPolarHBondContact OD1-CE2 3.37Å; I258-Y260 VanDerWaalsContact C-N 3.34Å; I258-Y260 PolarHBondContact O-N 2.82Å; Y260-L262 VanDerWaalsContact C-N 3.32Å; Y260-L262 PolarHBondContact O-N 3.11Å
261N97.5Very high98Very high66 Ų6633 Ų3335%0.35317%0.168SC..THydrogen-bonded Turntrans52.248.3177-171.549.1000112.3A257 I258 H263 N291 S292A257-N261 CarbonylContact O-C 3.47Å; A257-N261 WeakPolarHBondContact O-CA 3.46Å; A257-N261 PolarHBondContact O-N 3.43Å; I258-N261 PolarHBondContact O-N 3.06Å; N261-H263 PolarHBondContact ND2-NE2 3.23Å; N261-H263 PolarHBondContact O-CD2 3.32Å; N261-H263 PolarHBondContact O-N 3.16Å; N261-H263 PolarHBondContact O-NE2 3.08Å; N261-N291 VanDerWaalsContact OD1-CB 3.29Å; N261-N291 WeakPolarHBondContact OD1-CB 3.29Å; N261-S292 PolarHBondContact OD1-N 2.85Å; N261-S292 VanDerWaalsContact OD1-N 3.16Å; N261-S292 PolarHBondContact OD1-OG 3.09Å; N261-S292 VanDerWaalsContact OD1-OG 3.12Å
262L97.4Very high97.9Very high85 Ų8533 Ų3345%0.44517%0.168SC..  trans-76.4-17.9-168.2-61-178.2000114.5D256 A257 Y260 T264D256-L262 WeakPolarHBondContact OD2-CD1 3.48Å; A257-L262 HydrophobicContact CB-CB 4.36Å; A257-L262 PolarHBondContact O-N 2.86Å; Y260-L262 VanDerWaalsContact C-N 3.32Å; Y260-L262 PolarHBondContact O-N 3.11Å; L262-T264 WeakPolarHBondContact CB-OG1 3.21Å
263H97.9Very high97.8Very high93 Ų9336.9 Ų36.943%0.43118%0.18SC..  trans57.555.2-173.1-55.8-98.3000111.6N261 L289 I290 N291N261-H263 PolarHBondContact ND2-NE2 3.23Å; N261-H263 PolarHBondContact O-CD2 3.32Å; N261-H263 PolarHBondContact O-N 3.16Å; N261-H263 PolarHBondContact O-NE2 3.08Å; H263-L289 VanDerWaalsContact C-CD1 3.42Å; H263-L289 HydrophobicContact CB-CD1 4.04Å; H263-L289 HydrophobicContact CB-CD2 4.5Å; H263-L289 HydrophobicContact CB-CG 4.38Å; H263-L289 WeakPolarHBondContact O-CD1 3.43Å; H263-I290 CarbonylContact C-O 3.5Å; H263-I290 WeakPolarHBondContact CA-O 3.49Å; H263-I290 PolarHBondContact N-O 2.96Å; H263-N291 PolarHBondContact CE1-ND2 2.95Å; H263-N291 PolarHBondContact ND1-ND2 2.83Å
264T97.8Very high97.6Very high40 Ų4041.1 Ų41.125%0.24520%0.198CC..EExtended strand (participates in β ladder)trans-99.4143.4-176.6-49.90000111.2L262 Y266 I290L262-T264 WeakPolarHBondContact CB-OG1 3.21Å; T264-Y266 HydrophobicContact CG2-CD2 4.25Å; T264-Y266 HydrophobicContact CG2-CE1 4.18Å; T264-Y266 HydrophobicContact CG2-CE2 3.52Å; T264-Y266 VanDerWaalsContact CG2-CZ 3.47Å; T264-Y266 WeakPolarHBondContact CG2-OH 3.41Å; T264-I290 PolarHBondContact N-O 3.39Å; T264-I290 PolarHBondContact O-N 2.98Å
265I98.2Very high97.5Very high67 Ų6741.7 Ų41.734%0.34420%0.202SC..EExtended strand (participates in β ladder)trans-96.7125.9-179.2-62.3164.4000110.4P287 S288 L289 I299I265-P287 HydrophobicContact CG2-CB 3.9Å; I265-S288 WeakPolarHBondContact CA-O 3.42Å; I265-L289 HydrophobicContact CD1-CD1 4.46Å; I265-L289 HydrophobicContact CG1-CD1 3.68Å; I265-I299 HydrophobicContact CD1-CD1 3.63Å; I265-I299 HydrophobicContact CG1-CD1 4.04Å; I265-I299 HydrophobicContact CG2-CD1 3.96Å
266Y98.3Very high97.2Very high52 Ų5244 Ų4420%0.20421%0.214CC..EExtended strand (participates in β ladder)trans-133.2148.4171.8-62.9-70.2000111.8I159 I254 A257 T264 I268 P287 S288 I290I159-Y266 HydrophobicContact CD1-CD1 3.71Å; I159-Y266 HydrophobicContact CD1-CE1 4.32Å; I159-Y266 HydrophobicContact CD1-CG 3.99Å; I159-Y266 HydrophobicContact CG1-CD1 4.31Å; I254-Y266 HydrophobicContact CG1-CD2 4.31Å; A257-Y266 HydrophobicContact CB-CE2 4.27Å; T264-Y266 HydrophobicContact CG2-CD2 4.25Å; T264-Y266 HydrophobicContact CG2-CE1 4.18Å; T264-Y266 HydrophobicContact CG2-CE2 3.52Å; T264-Y266 VanDerWaalsContact CG2-CZ 3.47Å; T264-Y266 WeakPolarHBondContact CG2-OH 3.41Å; Y266-I268 PolarHBondContact O-N 2.91Å; Y266-P287 WeakPolarHBondContact O-CA 3.2Å; Y266-S288 PolarHBondContact N-O 3.46Å; Y266-S288 VanDerWaalsContact N-O 3.07Å; Y266-S288 PolarHBondContact O-N 3.23Å; Y266-I290 HydrophobicContact CD2-CD1 3.73Å; Y266-I290 HydrophobicContact CD2-CG1 4.33Å
267P97.8Very high96.9Very high7 Ų744.2 Ų44.25%0.04523%0.228CC..EExtended strand (participates in β ladder)trans-81.697.6170.132.2-29.2000109.2T158 I159 S162 Y183T158-P267 CarbonylContact C-O 3.51Å; I159-P267 WeakPolarHBondContact CA-O 3.44Å; I159-P267 PolarHBondContact N-O 3.47Å; S162-P267 WeakPolarHBondContact OG-CG 3.48Å; Y183-P267 HydrophobicContact CD1-CB 4.06Å; Y183-P267 HydrophobicContact CD1-CG 3.97Å
268I98.6Very high96.8Very high0 Ų044.7 Ų44.70%023%0.231CC..EExtended strand (participates in β ladder)trans-133.8156-172.451.3152.1000110.6F154 G155 I159 I254 Y266 V270 S285 F286 I290 I295F154-I268 HydrophobicContact CB-CD1 4.25Å; F154-I268 HydrophobicContact CD2-CD1 3.47Å; F154-I268 VanDerWaalsContact CD2-CD1 3.47Å; F154-I268 HydrophobicContact CE2-CD1 3.92Å; F154-I268 HydrophobicContact CG-CD1 4Å; G155-I268 WeakPolarHBondContact O-CB 3.43Å; I159-I268 HydrophobicContact CB-CG2 4.37Å; I254-I268 HydrophobicContact CD1-CG2 4.04Å; Y266-I268 PolarHBondContact O-N 2.91Å; I268-V270 HydrophobicContact CD1-CG1 4.01Å; I268-V270 HydrophobicContact CG1-CG1 4.09Å; I268-V270 PolarHBondContact O-N 2.82Å; I268-S285 VanDerWaalsContact O-CA 3.24Å; I268-S285 WeakPolarHBondContact O-CA 3.49Å; I268-F286 PolarHBondContact N-O 3.42Å; I268-F286 PolarHBondContact O-N 2.91Å; I268-I290 HydrophobicContact CD1-CD1 3.36Å; I268-I290 HydrophobicContact CD1-CG1 3.94Å; I268-I290 HydrophobicContact CG1-CD1 4.21Å; I268-I295 HydrophobicContact CD1-CD1 3.31Å; I268-I295 HydrophobicContact CG1-CD1 4.49Å
269S98.7Very high96.6Very high0 Ų050.1 Ų50.10%026%0.256CS..EExtended strand (participates in β ladder)trans-73.7112.2-175.6-170.50000110.9D136 F154 G155 L284D136-S269 WeakPolarHBondContact OD1-CB 3.38Å; D136-S269 PolarHBondContact OD1-OG 2.91Å; F154-S269 CarbonylContact C-O 3.59Å; F154-S269 VanDerWaalsContact CA-O 3.26Å; F154-S269 WeakPolarHBondContact CA-O 3.32Å; F154-S269 WeakPolarHBondContact CB-O 3.4Å; G155-S269 PolarHBondContact N-O 2.7Å; G155-S269 PolarHBondContact O-N 3.46Å; S269-L284 WeakPolarHBondContact CA-O 3.21Å
270V98.6Very high96.5Very high2 Ų252.3 Ų52.31%0.01227%0.265CS..EExtended strand (participates in β ladder)trans-130.3160.6-175.4-65.30000110F154 I268 V272 F283 L284 F286 I295 I298F154-V270 HydrophobicContact CB-CG1 4.14Å; I268-V270 HydrophobicContact CD1-CG1 4.01Å; I268-V270 HydrophobicContact CG1-CG1 4.09Å; I268-V270 PolarHBondContact O-N 2.82Å; V270-V272 HydrophobicContact CG2-CG1 4.23Å; V270-V272 PolarHBondContact O-N 3.38Å; V270-V272 VanDerWaalsContact O-N 3.14Å; V270-F283 VanDerWaalsContact O-CA 3.25Å; V270-F283 WeakPolarHBondContact O-CA 3.43Å; V270-L284 PolarHBondContact N-O 3.48Å; V270-L284 PolarHBondContact O-N 2.86Å; V270-L284 VanDerWaalsContact O-N 3.09Å; V270-F286 HydrophobicContact CG2-CB 4.38Å; V270-I295 HydrophobicContact CG1-CD1 3.79Å; V270-I295 HydrophobicContact CG1-CG1 3.79Å; V270-I295 HydrophobicContact CG1-CG2 4.28Å; V270-I298 HydrophobicContact CB-CD1 4.11Å; V270-I298 HydrophobicContact CB-CG1 4.49Å; V270-I298 HydrophobicContact CG2-CD1 3.64Å; V270-I298 HydrophobicContact CG2-CG1 3.95Å; V270-I298 HydrophobicContact CG2-CG2 4.19Å
271C98.1Very high96.5Very high12 Ų1248.4 Ų48.48%0.08125%0.253CS..EExtended strand (participates in β ladder)trans-67.5113.8172.6-171.70000110.1K150 A282 F283 I298K150-C271 HydrophobicContact CB-CB 4.09Å; K150-C271 HydrophobicContact CD-CB 3.9Å; K150-C271 HydrophobicContact CG-CB 4.17Å; C271-A282 CarbonylContact C-O 3.54Å; C271-A282 VanDerWaalsContact CA-O 3.24Å; C271-A282 WeakPolarHBondContact CA-O 3.45Å; C271-F283 HydrophobicContact CB-CD1 4.38Å; C271-F283 HydrophobicContact CB-CE1 3.89Å; C271-F283 HydrophobicContact CB-CE2 4.07Å; C271-F283 HydrophobicContact CB-CZ 3.72Å; C271-I298 WeakPolarHBondContact O-CD1 3.46Å
272V97.3Very high96.4Very high0 Ų045.2 Ų45.20%024%0.236CC..  trans-9413.9-174.4-640000113.9V270 D274 V275 I278 A282 L284 F286V270-V272 HydrophobicContact CG2-CG1 4.23Å; V270-V272 PolarHBondContact O-N 3.38Å; V270-V272 VanDerWaalsContact O-N 3.14Å; V272-D274 PolarHBondContact O-N 3.46Å; V272-V275 HydrophobicContact CB-CB 4.2Å; V272-V275 HydrophobicContact CB-CG2 4.41Å; V272-V275 WeakPolarHBondContact O-CB 3.48Å; V272-V275 PolarHBondContact O-N 2.93Å; V272-I278 HydrophobicContact CB-CD1 4.06Å; V272-I278 HydrophobicContact CG2-CD1 3.73Å; V272-I278 HydrophobicContact CG2-CG2 4.36Å; V272-A282 HydrophobicContact CG2-CB 3.86Å; V272-A282 WeakPolarHBondContact CG2-O 3.39Å; V272-A282 PolarHBondContact N-O 3.16Å; V272-L284 HydrophobicContact CG1-CB 4.06Å; V272-L284 HydrophobicContact CG2-CB 4.31Å; V272-L284 HydrophobicContact CG2-CD1 4.27Å; V272-L284 HydrophobicContact CG2-CG 4.37Å; V272-F286 HydrophobicContact CG1-CD2 3.5Å; V272-F286 VanDerWaalsContact CG1-CD2 3.5Å; V272-F286 HydrophobicContact CG1-CE2 3.84Å; V272-F286 HydrophobicContact CG1-CG 4.32Å
273R95.9Very high96.5Very high101 Ų10141.4 Ų41.438%0.38122%0.216SC..THydrogen-bonded Turntrans-54.6136.2169.8169.5175.9-87.4151.87.2109.2V275 Q279 D281R273-V275 PolarHBondContact O-N 3.25Å; R273-Q279 PolarHBondContact NE-O 3.09Å; R273-Q279 PolarHBondContact NH2-O 3.31Å; R273-D281 VanDerWaalsContact CB-OD1 3.3Å; R273-D281 WeakPolarHBondContact CB-OD1 3.28Å; R273-D281 VanDerWaalsContact CD-OD1 3.26Å; R273-D281 WeakPolarHBondContact CD-OD1 3.46Å; R273-D281 IonicContact CZ-OD1 2.96Å; R273-D281 IonicContact CZ-OD2 3.33Å; R273-D281 IonicContact NE-OD1 3.1Å; R273-D281 PolarHBondContact NE-OD1 3.12Å; R273-D281 VanDerWaalsContact NE-OD1 3.1Å; R273-D281 IonicContact NH1-OD1 2.97Å; R273-D281 PolarHBondContact NH1-OD1 3.15Å; R273-D281 IonicContact NH1-OD2 2.78Å; R273-D281 PolarHBondContact NH1-OD2 3.28Å; R273-D281 IonicContact NH2-OD1 3.29Å; R273-D281 IonicContact NH2-OD2 2.71Å
274D94.6Very high96.5Very high120 Ų12037 Ų3764%0.64220%0.195SC*.THydrogen-bonded Turntrans67.30.7-177-51-44.1000115.2V272 I278V272-D274 PolarHBondContact O-N 3.46Å; D274-I278 WeakPolarHBondContact CA-O 3.44Å; D274-I278 PolarHBondContact N-O 3.47Å
275V94.5Very high96.5Very high11 Ų1135.1 Ų35.17%0.06718%0.184CC..SBendtrans-86.6128.5174-177.20000108.9V272 R273 G277 I278 F286 I298V272-V275 HydrophobicContact CB-CB 4.2Å; V272-V275 HydrophobicContact CB-CG2 4.41Å; V272-V275 WeakPolarHBondContact O-CB 3.48Å; V272-V275 PolarHBondContact O-N 2.93Å; R273-V275 PolarHBondContact O-N 3.25Å; V275-G277 PolarHBondContact O-N 3.2Å; V275-I278 WeakPolarHBondContact O-CB 3.42Å; V275-I278 WeakPolarHBondContact O-CD1 3.45Å; V275-I278 VanDerWaalsContact O-CG1 3.26Å; V275-I278 WeakPolarHBondContact O-CG1 3.47Å; V275-I278 PolarHBondContact O-N 3.19Å; V275-I278 VanDerWaalsContact O-N 3.08Å; V275-F286 HydrophobicContact CG1-CD1 3.99Å; V275-F286 HydrophobicContact CG1-CE1 3.9Å; V275-F286 HydrophobicContact CG1-CZ 4.36Å; V275-I298 HydrophobicContact CG1-CG2 4.25Å; V275-I298 HydrophobicContact CG2-CB 4.14Å; V275-I298 HydrophobicContact CG2-CD1 3.97Å; V275-I298 HydrophobicContact CG2-CG2 3.9Å
276N92.6Very high96.5Very high48 Ų4831.9 Ų31.926%0.25717%0.167SC..THydrogen-bonded Turntrans52.430.7177.2-75.791.7000114.1Q301 L303N276-Q301 PolarHBondContact ND2-O 2.99Å; N276-Q301 PolarHBondContact OD1-N 3.32Å; N276-L303 HydrophobicContact CB-CD1 4.4Å
277G92.6Very high96.5Very high55 Ų5529.5 Ų29.557%0.56716%0.158SC*.THydrogen-bonded Turntrans85.31.2177.200000115.9V275 Q279V275-G277 PolarHBondContact O-N 3.2Å; G277-Q279 PolarHBondContact O-NE2 3.03Å
278I95.2Very high96.5Very high10 Ų1029.2 Ų29.25%0.05116%0.156CC..  trans-66133.9177.9-60.7164.8000110V272 D274 V275 I311 V315V272-I278 HydrophobicContact CB-CD1 4.06Å; V272-I278 HydrophobicContact CG2-CD1 3.73Å; V272-I278 HydrophobicContact CG2-CG2 4.36Å; D274-I278 WeakPolarHBondContact CA-O 3.44Å; D274-I278 PolarHBondContact N-O 3.47Å; V275-I278 WeakPolarHBondContact O-CB 3.42Å; V275-I278 WeakPolarHBondContact O-CD1 3.45Å; V275-I278 VanDerWaalsContact O-CG1 3.26Å; V275-I278 WeakPolarHBondContact O-CG1 3.47Å; V275-I278 PolarHBondContact O-N 3.19Å; V275-I278 VanDerWaalsContact O-N 3.08Å; I278-I311 HydrophobicContact CD1-CG2 3.69Å; I278-I311 HydrophobicContact CG1-CG2 4.48Å; I278-V315 HydrophobicContact CD1-CG2 3.97Å; I278-V315 HydrophobicContact CG1-CG2 4.32Å; I278-V315 HydrophobicContact CG2-CG1 4.22Å; I278-V315 HydrophobicContact CG2-CG2 4.08Å
279Q94.7Very high96.5Very high121 Ų12130.9 Ų30.957%0.56517%0.165SC*.  trans-105.6-24.2-177.5-61.6-60-57.900112.4R273 G277R273-Q279 PolarHBondContact NE-O 3.09Å; R273-Q279 PolarHBondContact NH2-O 3.31Å; G277-Q279 PolarHBondContact O-NE2 3.03Å
280E94.6Very high96.5Very high83 Ų8330.9 Ų30.939%0.38817%0.165SC..SBendtrans-82.1149.3-177.2-60.183172.600111.8A282 V315 I319E280-A282 VanDerWaalsContact C-N 3.31Å; E280-A282 PolarHBondContact O-N 3.47Å; E280-V315 HydrophobicContact CB-CG1 4.08Å; E280-V315 HydrophobicContact CG-CG1 4.49Å; E280-I319 HydrophobicContact CB-CD1 3.98Å; E280-I319 HydrophobicContact CB-CG1 4.02Å; E280-I319 HydrophobicContact CG-CG1 4.4Å
281D94.7Very high96.4Very high43 Ų4331.2 Ų31.223%0.2317%0.166CC..  trans-76.387.1170-76.3-22.1000109.5H140 K150 R273 I319H140-D281 PolarHBondContact CE1-O 2.96Å; H140-D281 PolarHBondContact ND1-O 3.37Å; K150-D281 IonicContact NZ-OD1 2.98Å; K150-D281 PolarHBondContact NZ-OD1 2.66Å; K150-D281 IonicContact NZ-OD2 2.77Å; K150-D281 PolarHBondContact NZ-OD2 3.5Å; R273-D281 VanDerWaalsContact CB-OD1 3.3Å; R273-D281 WeakPolarHBondContact CB-OD1 3.28Å; R273-D281 VanDerWaalsContact CD-OD1 3.26Å; R273-D281 WeakPolarHBondContact CD-OD1 3.46Å; R273-D281 IonicContact CZ-OD1 2.96Å; R273-D281 IonicContact CZ-OD2 3.33Å; R273-D281 IonicContact NE-OD1 3.1Å; R273-D281 PolarHBondContact NE-OD1 3.12Å; R273-D281 VanDerWaalsContact NE-OD1 3.1Å; R273-D281 IonicContact NH1-OD1 2.97Å; R273-D281 PolarHBondContact NH1-OD1 3.15Å; R273-D281 IonicContact NH1-OD2 2.78Å; R273-D281 PolarHBondContact NH1-OD2 3.28Å; R273-D281 IonicContact NH2-OD1 3.29Å; R273-D281 IonicContact NH2-OD2 2.71Å; D281-I319 WeakPolarHBondContact O-CD1 3.16Å
282A96.8Very high96.4Very high0 Ų033.8 Ų33.80%019%0.185CC..  trans-109.3151.217200000110.5C271 V272 E280 V315C271-A282 CarbonylContact C-O 3.54Å; C271-A282 VanDerWaalsContact CA-O 3.24Å; C271-A282 WeakPolarHBondContact CA-O 3.45Å; V272-A282 HydrophobicContact CG2-CB 3.86Å; V272-A282 WeakPolarHBondContact CG2-O 3.39Å; V272-A282 PolarHBondContact N-O 3.16Å; E280-A282 VanDerWaalsContact C-N 3.31Å; E280-A282 PolarHBondContact O-N 3.47Å; A282-V315 HydrophobicContact CB-CB 4.26Å; A282-V315 HydrophobicContact CB-CG1 3.98Å; A282-V315 HydrophobicContact CB-CG2 3.88Å
283F98.2Very high96.3Very high4 Ų440.5 Ų40.52%0.01821%0.214CC..EExtended strand (participates in β ladder)trans-110.1113.3172.8-78.5-99.6000109.2D136 T139 H140 A143 V270 C271 Q318D136-F283 WeakPolarHBondContact CB-O 3.36Å; D136-F283 WeakPolarHBondContact O-CB 3.34Å; T139-F283 HydrophobicContact CG2-CD1 3.35Å; T139-F283 HydrophobicContact CG2-CE1 3.65Å; T139-F283 HydrophobicContact CG2-CG 4.16Å; H140-F283 VanDerWaalsContact CA-CD2 3.48Å; H140-F283 HydrophobicContact CB-CB 4.45Å; H140-F283 HydrophobicContact CB-CD2 3.55Å; H140-F283 HydrophobicContact CB-CE2 4.12Å; H140-F283 HydrophobicContact CB-CG 4.22Å; H140-F283 AromaticContact CG-CD2 3.7Å; H140-F283 AromaticContact ND1-CD2 3.86Å; A143-F283 HydrophobicContact CB-CE1 4.23Å; A143-F283 HydrophobicContact CB-CE2 3.92Å; A143-F283 HydrophobicContact CB-CZ 3.4Å; A143-F283 VanDerWaalsContact CB-CZ 3.4Å; V270-F283 VanDerWaalsContact O-CA 3.25Å; V270-F283 WeakPolarHBondContact O-CA 3.43Å; C271-F283 HydrophobicContact CB-CD1 4.38Å; C271-F283 HydrophobicContact CB-CE1 3.89Å; C271-F283 HydrophobicContact CB-CE2 4.07Å; C271-F283 HydrophobicContact CB-CZ 3.72Å; F283-Q318 PolarHBondContact O-NE2 3.05Å
284L98Very high96.4Very high1 Ų135.7 Ų35.71%0.00520%0.196CC..EExtended strand (participates in β ladder)trans-142.7158.9-179.8-65.2175.6000109.1E187 S269 V270 V272 F286 I311 C314 V315E187-L284 HydrophobicContact CB-CD2 4.04Å; S269-L284 WeakPolarHBondContact CA-O 3.21Å; V270-L284 PolarHBondContact N-O 3.48Å; V270-L284 PolarHBondContact O-N 2.86Å; V270-L284 VanDerWaalsContact O-N 3.09Å; V272-L284 HydrophobicContact CG1-CB 4.06Å; V272-L284 HydrophobicContact CG2-CB 4.31Å; V272-L284 HydrophobicContact CG2-CD1 4.27Å; V272-L284 HydrophobicContact CG2-CG 4.37Å; L284-F286 PolarHBondContact O-N 2.87Å; L284-I311 HydrophobicContact CD1-CG2 4.46Å; L284-C314 HydrophobicContact CD1-CB 3.95Å; L284-C314 HydrophobicContact CD2-CB 3.95Å; L284-V315 HydrophobicContact CD1-CG2 3.66Å
285S98.4Very high96.6Very high0 Ų030.7 Ų30.70%017%0.169CC..EExtended strand (participates in β ladder)trans-77.5122.9-177.9-57.90000111.9G157 T158 I185 G186 I268G157-S285 WeakPolarHBondContact CA-OG 3.38Å; T158-S285 PolarHBondContact N-OG 3.13Å; T158-S285 WeakPolarHBondContact OG1-CB 3.15Å; T158-S285 PolarHBondContact OG1-OG 2.97Å; I185-S285 CarbonylContact C-O 3.53Å; I185-S285 WeakPolarHBondContact CA-O 3.49Å; I185-S285 WeakPolarHBondContact CB-O 3.17Å; G186-S285 PolarHBondContact N-O 3.5Å; G186-S285 WeakPolarHBondContact O-CB 2.8Å; G186-S285 PolarHBondContact O-N 2.9Å; G186-S285 PolarHBondContact O-OG 3.17Å; I268-S285 VanDerWaalsContact O-CA 3.24Å; I268-S285 WeakPolarHBondContact O-CA 3.49Å
286F97.9Very high96.7Very high0 Ų031.8 Ų31.80%018%0.177CC..EExtended strand (participates in β ladder)trans-137.8152.3172.2-89-104.5000109.7I185 I268 V270 V272 V275 L284 S288 I298 Q301 I311I185-F286 HydrophobicContact CD1-CE1 4.04Å; I185-F286 HydrophobicContact CD1-CZ 4.02Å; I268-F286 PolarHBondContact N-O 3.42Å; I268-F286 PolarHBondContact O-N 2.91Å; V270-F286 HydrophobicContact CG2-CB 4.38Å; V272-F286 HydrophobicContact CG1-CD2 3.5Å; V272-F286 VanDerWaalsContact CG1-CD2 3.5Å; V272-F286 HydrophobicContact CG1-CE2 3.84Å; V272-F286 HydrophobicContact CG1-CG 4.32Å; V275-F286 HydrophobicContact CG1-CD1 3.99Å; V275-F286 HydrophobicContact CG1-CE1 3.9Å; V275-F286 HydrophobicContact CG1-CZ 4.36Å; L284-F286 PolarHBondContact O-N 2.87Å; F286-S288 PolarHBondContact O-N 3.25Å; F286-S288 PolarHBondContact O-OG 3.27Å; F286-I298 HydrophobicContact CB-CG2 3.69Å; F286-I298 HydrophobicContact CG-CG2 4.36Å; F286-Q301 HydrophobicContact CD1-CG 4.1Å; F286-Q301 HydrophobicContact CE1-CG 4.18Å; F286-I311 HydrophobicContact CE2-CD1 4.02Å; F286-I311 HydrophobicContact CZ-CD1 4.06Å; F286-I311 HydrophobicContact CZ-CG1 4.41Å
287P97.6Very high97Very high2 Ų235.2 Ų35.21%0.01319%0.191CC..EExtended strand (participates in β ladder)trans-58.4116173-22.635.2000109.8Y183 I185 I265 Y266 I299Y183-P287 HydrophobicContact CD1-CG 4.06Å; Y183-P287 HydrophobicContact CD2-CG 4.41Å; Y183-P287 HydrophobicContact CE1-CB 4.42Å; Y183-P287 HydrophobicContact CE1-CG 4.43Å; Y183-P287 HydrophobicContact CG-CG 4.05Å; I185-P287 HydrophobicContact CG2-CG 4.38Å; I265-P287 HydrophobicContact CG2-CB 3.9Å; Y266-P287 WeakPolarHBondContact O-CA 3.2Å; P287-I299 HydrophobicContact CB-CB 4.33Å; P287-I299 HydrophobicContact CB-CD1 4.3Å; P287-I299 WeakPolarHBondContact O-CB 3.28Å; P287-I299 WeakPolarHBondContact O-CG1 3.23Å; P287-I299 PolarHBondContact O-N 2.96Å
288S98.5Very high97.2Very high0 Ų034.7 Ų34.70%018%0.175CC..EExtended strand (participates in β ladder)trans-131.6137.3-170.5-59.80000110.4I265 Y266 F286 H297I265-S288 WeakPolarHBondContact CA-O 3.42Å; Y266-S288 PolarHBondContact N-O 3.46Å; Y266-S288 VanDerWaalsContact N-O 3.07Å; Y266-S288 PolarHBondContact O-N 3.23Å; F286-S288 PolarHBondContact O-N 3.25Å; F286-S288 PolarHBondContact O-OG 3.27Å; S288-H297 CarbonylContact C-O 3.57Å; S288-H297 VanDerWaalsContact CA-O 3.32Å; S288-H297 WeakPolarHBondContact CA-O 3.3Å
289L98.4Very high97.3Very high35 Ų3537.1 Ų37.118%0.18319%0.188CC..EExtended strand (participates in β ladder)trans-84.8112.1-179-171.769.7000110.1H263 I265 S296 H297H263-L289 VanDerWaalsContact C-CD1 3.42Å; H263-L289 HydrophobicContact CB-CD1 4.04Å; H263-L289 HydrophobicContact CB-CD2 4.5Å; H263-L289 HydrophobicContact CB-CG 4.38Å; H263-L289 WeakPolarHBondContact O-CD1 3.43Å; I265-L289 HydrophobicContact CD1-CD1 4.46Å; I265-L289 HydrophobicContact CG1-CD1 3.68Å; L289-S296 WeakPolarHBondContact CB-OG 3.43Å; L289-S296 VanDerWaalsContact CD2-OG 3.32Å; L289-S296 WeakPolarHBondContact CD2-OG 3.38Å; L289-S296 WeakPolarHBondContact CG-OG 3.47Å; L289-S296 PolarHBondContact O-N 2.92Å; L289-S296 PolarHBondContact O-OG 2.81Å; L289-H297 HydrophobicContact CB-CB 4.06Å; L289-H297 PolarHBondContact N-O 3.25Å
290I98.4Very high97.2Very high0 Ų035.5 Ų35.50%019%0.187CC..EExtended strand (participates in β ladder)trans-100.8133.3-177.4-48.6-172.8000110.5F154 I254 A257 I258 H263 T264 Y266 I268 G294 I295F154-I290 HydrophobicContact CE2-CD1 4.2Å; F154-I290 HydrophobicContact CZ-CG2 4.33Å; I254-I290 HydrophobicContact CG1-CD1 4.37Å; I254-I290 HydrophobicContact CG2-CD1 4.17Å; A257-I290 HydrophobicContact CB-CB 4.45Å; A257-I290 HydrophobicContact CB-CG2 4.38Å; I258-I290 HydrophobicContact CD1-CG2 4.24Å; I258-I290 HydrophobicContact CG1-CG2 3.53Å; H263-I290 CarbonylContact C-O 3.5Å; H263-I290 WeakPolarHBondContact CA-O 3.49Å; H263-I290 PolarHBondContact N-O 2.96Å; T264-I290 PolarHBondContact N-O 3.39Å; T264-I290 PolarHBondContact O-N 2.98Å; Y266-I290 HydrophobicContact CD2-CD1 3.73Å; Y266-I290 HydrophobicContact CD2-CG1 4.33Å; I268-I290 HydrophobicContact CD1-CD1 3.36Å; I268-I290 HydrophobicContact CD1-CG1 3.94Å; I268-I290 HydrophobicContact CG1-CD1 4.21Å; I290-G294 WeakPolarHBondContact CA-O 3.38Å; I290-I295 HydrophobicContact CG1-CD1 4.11Å
291N97.8Very high97.2Very high9 Ų932.8 Ų32.85%0.04818%0.175CC..EExtended strand (participates in β ladder)trans-150.5-164.117370.820.7000110.4N261 H263 K293 G294 S296N261-N291 VanDerWaalsContact OD1-CB 3.29Å; N261-N291 WeakPolarHBondContact OD1-CB 3.29Å; H263-N291 PolarHBondContact CE1-ND2 2.95Å; H263-N291 PolarHBondContact ND1-ND2 2.83Å; N291-K293 PolarHBondContact O-N 3.41Å; N291-K293 WeakPolarHBondContact OD1-CB 3.42Å; N291-K293 PolarHBondContact OD1-N 3.44Å; N291-G294 PolarHBondContact N-O 3.46Å; N291-G294 PolarHBondContact O-N 3.08Å; N291-S296 WeakPolarHBondContact ND2-CB 3.21Å
292S96.8Very high96.9Very high67 Ų6738.9 Ų38.947%0.46920%0.202SC..THydrogen-bonded Turntrans-62.9-12.7-176.163.10000114.9I258 N261 G294I258-S292 VanDerWaalsContact O-CA 3.3Å; I258-S292 WeakPolarHBondContact O-CA 3.05Å; I258-S292 WeakPolarHBondContact O-CB 3.21Å; N261-S292 PolarHBondContact OD1-N 2.85Å; N261-S292 VanDerWaalsContact OD1-N 3.16Å; N261-S292 PolarHBondContact OD1-OG 3.09Å; N261-S292 VanDerWaalsContact OD1-OG 3.12Å; S292-G294 VanDerWaalsContact C-N 3.34Å
293K95.5Very high96.6Very high140 Ų14040.4 Ų40.461%0.60921%0.21SC*.THydrogen-bonded Turntrans-85.7-3.1173.6-59.1-179.4179.2179.20113.4H151 N291H151-K293 PolarHBondContact CE1-O 3.08Å; H151-K293 PolarHBondContact ND1-O 3.17Å; N291-K293 PolarHBondContact O-N 3.41Å; N291-K293 WeakPolarHBondContact OD1-CB 3.42Å; N291-K293 PolarHBondContact OD1-N 3.44Å
294G98.2Very high96.1Very high0 Ų043.1 Ų43.10%023%0.227CC..EExtended strand (participates in β ladder)trans84.4-123.5-161.700000110.2I290 N291 S292 S296I290-G294 WeakPolarHBondContact CA-O 3.38Å; N291-G294 PolarHBondContact N-O 3.46Å; N291-G294 PolarHBondContact O-N 3.08Å; S292-G294 VanDerWaalsContact C-N 3.34Å; G294-S296 PolarHBondContact O-N 3.12Å
295I98.4Very high95.7Very high16 Ų1648.4 Ų48.48%0.08226%0.261CS..EExtended strand (participates in β ladder)trans-82.6109179.7-49.8-54.3000110.9H151 F154 I268 V270 I290 I298H151-I295 HydrophobicContact CB-CB 4.26Å; H151-I295 WeakPolarHBondContact CB-O 3.45Å; H151-I295 PolarHBondContact O-N 3.4Å; F154-I295 HydrophobicContact CB-CD1 4.1Å; F154-I295 HydrophobicContact CB-CG1 4.11Å; F154-I295 HydrophobicContact CD1-CD1 3.56Å; F154-I295 HydrophobicContact CD1-CG1 3.57Å; F154-I295 HydrophobicContact CD2-CD1 4.13Å; F154-I295 HydrophobicContact CE1-CD1 3.85Å; F154-I295 HydrophobicContact CE1-CG1 4.11Å; F154-I295 HydrophobicContact CE2-CD1 4.39Å; F154-I295 HydrophobicContact CG-CD1 3.69Å; F154-I295 HydrophobicContact CG-CG1 3.99Å; F154-I295 HydrophobicContact CZ-CD1 4.25Å; I268-I295 HydrophobicContact CD1-CD1 3.31Å; I268-I295 HydrophobicContact CG1-CD1 4.49Å; V270-I295 HydrophobicContact CG1-CD1 3.79Å; V270-I295 HydrophobicContact CG1-CG1 3.79Å; V270-I295 HydrophobicContact CG1-CG2 4.28Å; I290-I295 HydrophobicContact CG1-CD1 4.11Å; I295-I298 HydrophobicContact CG2-CG1 4.04Å
296S97.6Very high95.1Very high33 Ų3351.2 Ų51.223%0.23128%0.276CS..EExtended strand (participates in β ladder)trans-83.9-38.617666.50000112.8L289 N291 G294L289-S296 WeakPolarHBondContact CB-OG 3.43Å; L289-S296 VanDerWaalsContact CD2-OG 3.32Å; L289-S296 WeakPolarHBondContact CD2-OG 3.38Å; L289-S296 WeakPolarHBondContact CG-OG 3.47Å; L289-S296 PolarHBondContact O-N 2.92Å; L289-S296 PolarHBondContact O-OG 2.81Å; N291-S296 WeakPolarHBondContact ND2-CB 3.21Å; G294-S296 PolarHBondContact O-N 3.12Å
297H97.8Very high94.7Very high120 Ų12052 Ų5256%0.55628%0.28SS*.EExtended strand (participates in β ladder)trans-148.4149.7-177.5-5978.8000110S288 L289S288-H297 CarbonylContact C-O 3.57Å; S288-H297 VanDerWaalsContact CA-O 3.32Å; S288-H297 WeakPolarHBondContact CA-O 3.3Å; L289-H297 HydrophobicContact CB-CB 4.06Å; L289-H297 PolarHBondContact N-O 3.25Å
298I97.8Very high94.4Very high44 Ų4455.4 Ų55.423%0.22630%0.295CS..EExtended strand (participates in β ladder)trans-112.1132.8167.4-53.1170.7000106.2V270 C271 V275 F286 I295 P300V270-I298 HydrophobicContact CB-CD1 4.11Å; V270-I298 HydrophobicContact CB-CG1 4.49Å; V270-I298 HydrophobicContact CG2-CD1 3.64Å; V270-I298 HydrophobicContact CG2-CG1 3.95Å; V270-I298 HydrophobicContact CG2-CG2 4.19Å; C271-I298 WeakPolarHBondContact O-CD1 3.46Å; V275-I298 HydrophobicContact CG1-CG2 4.25Å; V275-I298 HydrophobicContact CG2-CB 4.14Å; V275-I298 HydrophobicContact CG2-CD1 3.97Å; V275-I298 HydrophobicContact CG2-CG2 3.9Å; F286-I298 HydrophobicContact CB-CG2 3.69Å; F286-I298 HydrophobicContact CG-CG2 4.36Å; I295-I298 HydrophobicContact CG2-CG1 4.04Å; I298-P300 VanDerWaalsContact O-CD 3.27Å; I298-P300 WeakPolarHBondContact O-CD 3.35Å
299I96.2Very high94.1Very high62 Ų6263 Ų6332%0.31832%0.324SS..  trans-92.7108.6-176.4-55.7173.3000108.5I265 P287 Q301I265-I299 HydrophobicContact CD1-CD1 3.63Å; I265-I299 HydrophobicContact CG1-CD1 4.04Å; I265-I299 HydrophobicContact CG2-CD1 3.96Å; P287-I299 HydrophobicContact CB-CB 4.33Å; P287-I299 HydrophobicContact CB-CD1 4.3Å; P287-I299 WeakPolarHBondContact O-CB 3.28Å; P287-I299 WeakPolarHBondContact O-CG1 3.23Å; P287-I299 PolarHBondContact O-N 2.96Å; I299-Q301 PolarHBondContact O-NE2 3.25Å
300P94.4Very high93.8Very high86 Ų8665.4 Ų65.456%0.55833%0.333SS*.  trans-61.9142.4175.9-19.734000110.5I298I298-P300 VanDerWaalsContact O-CD 3.27Å; I298-P300 WeakPolarHBondContact O-CD 3.35Å
301Q93.5Very high93.7Very high26 Ų2665.6 Ų65.612%0.12133%0.334CS..  trans-104.9148.5-175.7-61.2-58.7-51.300111.2L195 N276 F286 I299 L303L195-Q301 HydrophobicContact CD1-CB 4.25Å; L195-Q301 HydrophobicContact CD1-CG 3.77Å; N276-Q301 PolarHBondContact ND2-O 2.99Å; N276-Q301 PolarHBondContact OD1-N 3.32Å; F286-Q301 HydrophobicContact CD1-CG 4.1Å; F286-Q301 HydrophobicContact CE1-CG 4.18Å; I299-Q301 PolarHBondContact O-NE2 3.25Å; Q301-L303 HydrophobicContact CB-CD2 3.72Å; Q301-L303 HydrophobicContact CB-CG 4.22Å; Q301-L303 PolarHBondContact O-N 3.34Å; Q301-L303 VanDerWaalsContact O-N 3.15Å
302Q89.3Confident93.5Very high172 Ų17270.6 Ų70.680%0.80436%0.355SS*.  trans-80.393.5167.9-69.4-177.73.600108.3
303L89.2Confident93.4Very high31 Ų3172.1 Ų72.116%0.16236%0.355CS..  trans-87.8140-178.4-57-180000110.5I185 L195 N276 Q301 E307 E308 I311I185-L303 HydrophobicContact CD1-CD2 3.89Å; L195-L303 HydrophobicContact CD2-CD2 3.83Å; N276-L303 HydrophobicContact CB-CD1 4.4Å; Q301-L303 HydrophobicContact CB-CD2 3.72Å; Q301-L303 HydrophobicContact CB-CG 4.22Å; Q301-L303 PolarHBondContact O-N 3.34Å; Q301-L303 VanDerWaalsContact O-N 3.15Å; L303-E307 HydrophobicContact CB-CB 4.1Å; L303-E307 HydrophobicContact CD2-CB 4.15Å; L303-E308 HydrophobicContact CB-CB 4.26Å; L303-E308 HydrophobicContact CD1-CB 4.46Å; L303-I311 HydrophobicContact CD1-CG1 4.09Å
304T87.4Confident93.4Very high62 Ų6265.7 Ų65.738%0.3833%0.328SS..  trans-69.1160.5162.963.30000110.3D306 E307 E308T304-D306 PolarHBondContact O-N 3.03Å; T304-D306 VanDerWaalsContact O-N 3.14Å; T304-E307 WeakPolarHBondContact CB-OE2 3.47Å; T304-E307 WeakPolarHBondContact CG2-OE2 3.43Å; T304-E307 PolarHBondContact N-OE2 3.14Å; T304-E307 PolarHBondContact O-N 3.15Å; T304-E307 VanDerWaalsContact O-N 3.13Å; T304-E307 VanDerWaalsContact OG1-CD 3.25Å; T304-E307 VanDerWaalsContact OG1-CG 3.23Å; T304-E307 WeakPolarHBondContact OG1-CG 3.28Å; T304-E307 PolarHBondContact OG1-N 3.34Å; T304-E307 PolarHBondContact OG1-OE2 3.28Å; T304-E308 PolarHBondContact O-N 3.19Å
305P89.6Confident93.4Very high111 Ų11166 Ų6672%0.72133%0.33SS*.Hα-helixtrans-56.2-30.9176.8-27.935.9000114.3R309P305-R309 WeakPolarHBondContact O-CB 3.28Å; P305-R309 PolarHBondContact O-N 3.13Å; P305-R309 VanDerWaalsContact O-N 3.15Å
306D86.4Confident93.2Very high60 Ų6069.6 Ų69.632%0.32135%0.346SS..Hα-helixtrans-70.9-45.7176.2-176.662000112.3T304 R309 K310T304-D306 PolarHBondContact O-N 3.03Å; T304-D306 VanDerWaalsContact O-N 3.14Å; D306-R309 PolarHBondContact O-N 3.49Å; D306-R309 IonicContact OD1-CZ 3.14Å; D306-R309 IonicContact OD1-NE 3.98Å; D306-R309 IonicContact OD1-NH2 2.76Å; D306-R309 PolarHBondContact OD1-NH2 3.02Å; D306-K310 WeakPolarHBondContact O-CG 3.26Å; D306-K310 PolarHBondContact O-N 3.18Å; D306-K310 VanDerWaalsContact OD2-CE 3.28Å; D306-K310 WeakPolarHBondContact OD2-CE 3.38Å; D306-K310 IonicContact OD2-NZ 2.56Å; D306-K310 PolarHBondContact OD2-NZ 3.05Å
307E89.1Confident93.1Very high15 Ų1571.2 Ų71.27%0.0735%0.35CS..Hα-helixtrans-64.8-42.5178-66.5164.5147.100111I193 L303 T304 R309 K310 I311I193-E307 HydrophobicContact CG2-CB 4.06Å; I193-E307 HydrophobicContact CG2-CG 3.66Å; L303-E307 HydrophobicContact CB-CB 4.1Å; L303-E307 HydrophobicContact CD2-CB 4.15Å; T304-E307 WeakPolarHBondContact CB-OE2 3.47Å; T304-E307 WeakPolarHBondContact CG2-OE2 3.43Å; T304-E307 PolarHBondContact N-OE2 3.14Å; T304-E307 PolarHBondContact O-N 3.15Å; T304-E307 VanDerWaalsContact O-N 3.13Å; T304-E307 VanDerWaalsContact OG1-CD 3.25Å; T304-E307 VanDerWaalsContact OG1-CG 3.23Å; T304-E307 WeakPolarHBondContact OG1-CG 3.28Å; T304-E307 PolarHBondContact OG1-N 3.34Å; T304-E307 PolarHBondContact OG1-OE2 3.28Å; E307-R309 VanDerWaalsContact C-N 3.33Å; E307-R309 PolarHBondContact O-N 3.37Å; E307-K310 PolarHBondContact O-N 2.8Å; E307-I311 WeakPolarHBondContact O-CG1 3.27Å; E307-I311 PolarHBondContact O-N 2.71Å
308E92Very high93Very high74 Ų7465.9 Ų65.935%0.34633%0.325SS..Hα-helixtrans-61-42.4176.1-167.9-170.6155.700111.5L303 T304 I311 K312L303-E308 HydrophobicContact CB-CB 4.26Å; L303-E308 HydrophobicContact CD1-CB 4.46Å; T304-E308 PolarHBondContact O-N 3.19Å; E308-I311 PolarHBondContact O-N 2.84Å; E308-K312 HydrophobicContact CG-CD 4.47Å; E308-K312 WeakPolarHBondContact O-CG 3.33Å; E308-K312 PolarHBondContact O-N 3.22Å; E308-K312 WeakPolarHBondContact OE1-CE 3.21Å; E308-K312 IonicContact OE1-NZ 3.68Å; E308-K312 PolarHBondContact OE1-NZ 2.91Å
309R92.6Very high92.9Very high160 Ų16064.7 Ų64.760%0.60432%0.319SS*.Hα-helixtrans-61-44175.3177.9-179.960.7159.6-1.7111.8P305 D306 E307 K312 Q313P305-R309 WeakPolarHBondContact O-CB 3.28Å; P305-R309 PolarHBondContact O-N 3.13Å; P305-R309 VanDerWaalsContact O-N 3.15Å; D306-R309 PolarHBondContact O-N 3.49Å; D306-R309 IonicContact OD1-CZ 3.14Å; D306-R309 IonicContact OD1-NE 3.98Å; D306-R309 IonicContact OD1-NH2 2.76Å; D306-R309 PolarHBondContact OD1-NH2 3.02Å; E307-R309 VanDerWaalsContact C-N 3.33Å; E307-R309 PolarHBondContact O-N 3.37Å; R309-K312 PolarHBondContact O-N 3.18Å; R309-Q313 PolarHBondContact O-N 2.95Å
310K92.4Very high92.8Very high85 Ų8565.7 Ų65.737%0.3733%0.325SS..Hα-helixtrans-64.5-42.2177.8-75.1170.1175.1160.30112.2I193 D306 E307 K312 Q313 C314I193-K310 HydrophobicContact CD1-CB 3.53Å; I193-K310 HydrophobicContact CD1-CD 4.48Å; I193-K310 HydrophobicContact CG1-CB 4.14Å; I193-K310 HydrophobicContact CG1-CD 4.34Å; D306-K310 WeakPolarHBondContact O-CG 3.26Å; D306-K310 PolarHBondContact O-N 3.18Å; D306-K310 VanDerWaalsContact OD2-CE 3.28Å; D306-K310 WeakPolarHBondContact OD2-CE 3.38Å; D306-K310 IonicContact OD2-NZ 2.56Å; D306-K310 PolarHBondContact OD2-NZ 3.05Å; E307-K310 PolarHBondContact O-N 2.8Å; K310-K312 PolarHBondContact O-N 2.93Å; K310-Q313 WeakPolarHBondContact O-CB 3.3Å; K310-Q313 PolarHBondContact O-N 3.06Å; K310-C314 PolarHBondContact O-N 3.5Å; K310-C314 PolarHBondContact O-SG 3.37Å
311I94.7Very high92.8Very high4 Ų464.5 Ų64.52%0.02131%0.314CS..Hα-helixtrans-59.3-48174.1-71.2-63.2000110.8I185 I193 I278 L284 F286 L303 E307 E308 Q313 C314 V315I185-I311 HydrophobicContact CD1-CD1 4.11Å; I185-I311 HydrophobicContact CG1-CD1 4.48Å; I193-I311 HydrophobicContact CD1-CD1 3.5Å; I193-I311 VanDerWaalsContact CD1-CD1 3.5Å; I193-I311 HydrophobicContact CD1-CG1 3.57Å; I278-I311 HydrophobicContact CD1-CG2 3.69Å; I278-I311 HydrophobicContact CG1-CG2 4.48Å; L284-I311 HydrophobicContact CD1-CG2 4.46Å; F286-I311 HydrophobicContact CE2-CD1 4.02Å; F286-I311 HydrophobicContact CZ-CD1 4.06Å; F286-I311 HydrophobicContact CZ-CG1 4.41Å; L303-I311 HydrophobicContact CD1-CG1 4.09Å; E307-I311 WeakPolarHBondContact O-CG1 3.27Å; E307-I311 PolarHBondContact O-N 2.71Å; E308-I311 PolarHBondContact O-N 2.84Å; I311-Q313 VanDerWaalsContact C-N 3.27Å; I311-Q313 PolarHBondContact O-N 3.33Å; I311-C314 WeakPolarHBondContact O-CB 3.24Å; I311-C314 PolarHBondContact O-N 2.83Å; I311-C314 VanDerWaalsContact O-N 3.17Å; I311-V315 HydrophobicContact CG2-CG2 4.48Å; I311-V315 WeakPolarHBondContact O-CG2 3.28Å; I311-V315 PolarHBondContact O-N 3.08Å
312K94.7Very high92.8Very high114 Ų11463.4 Ų63.450%0.49631%0.309SS..Hα-helixtrans-59.2-38.7177.5-76.5171.6170.5167.10112.4E308 R309 K310 Q316E308-K312 HydrophobicContact CG-CD 4.47Å; E308-K312 WeakPolarHBondContact O-CG 3.33Å; E308-K312 PolarHBondContact O-N 3.22Å; E308-K312 WeakPolarHBondContact OE1-CE 3.21Å; E308-K312 IonicContact OE1-NZ 3.68Å; E308-K312 PolarHBondContact OE1-NZ 2.91Å; R309-K312 PolarHBondContact O-N 3.18Å; K310-K312 PolarHBondContact O-N 2.93Å; K312-Q316 PolarHBondContact O-N 3.38Å
313Q95Very high93Very high99 Ų9962.3 Ų62.346%0.46330%0.301SS..Hα-helixtrans-62.9-49174.1-178-179.5-1400111.6R309 K310 I311 V315 Q316 E317R309-Q313 PolarHBondContact O-N 2.95Å; K310-Q313 WeakPolarHBondContact O-CB 3.3Å; K310-Q313 PolarHBondContact O-N 3.06Å; I311-Q313 VanDerWaalsContact C-N 3.27Å; I311-Q313 PolarHBondContact O-N 3.33Å; Q313-V315 VanDerWaalsContact C-N 3.3Å; Q313-V315 PolarHBondContact O-N 2.93Å; Q313-Q316 PolarHBondContact O-N 3.05Å; Q313-Q316 VanDerWaalsContact O-N 3.13Å; Q313-E317 HydrophobicContact CG-CG 4.43Å; Q313-E317 VanDerWaalsContact CG-OE1 3.28Å; Q313-E317 WeakPolarHBondContact CG-OE1 3.2Å; Q313-E317 PolarHBondContact NE2-OE1 2.78Å; Q313-E317 WeakPolarHBondContact O-CG 3.26Å; Q313-E317 PolarHBondContact O-N 3.11Å
314C95.7Very high93.1Very high5 Ų568.7 Ų68.73%0.03433%0.33CS..Hα-helixtrans-57-44.4177.4-62.90000111.4E187 L284 K310 I311 E317 Q318E187-C314 HydrophobicContact CB-CB 4.37Å; L284-C314 HydrophobicContact CD1-CB 3.95Å; L284-C314 HydrophobicContact CD2-CB 3.95Å; K310-C314 PolarHBondContact O-N 3.5Å; K310-C314 PolarHBondContact O-SG 3.37Å; I311-C314 WeakPolarHBondContact O-CB 3.24Å; I311-C314 PolarHBondContact O-N 2.83Å; I311-C314 VanDerWaalsContact O-N 3.17Å; C314-E317 PolarHBondContact O-N 2.77Å; C314-Q318 VanDerWaalsContact O-CB 3.31Å; C314-Q318 WeakPolarHBondContact O-CB 3.35Å; C314-Q318 PolarHBondContact O-N 2.66Å
315V96.7Very high93.3Very high7 Ų767.1 Ų67.14%0.04232%0.319CS..Hα-helixtrans-57.1-51.6175.1168.60000110.5I278 E280 A282 L284 I311 Q313 E317 Q318 I319I278-V315 HydrophobicContact CD1-CG2 3.97Å; I278-V315 HydrophobicContact CG1-CG2 4.32Å; I278-V315 HydrophobicContact CG2-CG1 4.22Å; I278-V315 HydrophobicContact CG2-CG2 4.08Å; E280-V315 HydrophobicContact CB-CG1 4.08Å; E280-V315 HydrophobicContact CG-CG1 4.49Å; A282-V315 HydrophobicContact CB-CB 4.26Å; A282-V315 HydrophobicContact CB-CG1 3.98Å; A282-V315 HydrophobicContact CB-CG2 3.88Å; L284-V315 HydrophobicContact CD1-CG2 3.66Å; I311-V315 HydrophobicContact CG2-CG2 4.48Å; I311-V315 WeakPolarHBondContact O-CG2 3.28Å; I311-V315 PolarHBondContact O-N 3.08Å; Q313-V315 VanDerWaalsContact C-N 3.3Å; Q313-V315 PolarHBondContact O-N 2.93Å; V315-E317 PolarHBondContact O-N 2.98Å; V315-Q318 PolarHBondContact O-N 3Å; V315-I319 HydrophobicContact CG1-CG1 4.33Å; V315-I319 WeakPolarHBondContact O-CB 3.23Å; V315-I319 VanDerWaalsContact O-CG1 3.23Å; V315-I319 WeakPolarHBondContact O-CG1 3.32Å; V315-I319 PolarHBondContact O-N 2.67Å
316Q96Very high93.2Very high91 Ų9165.2 Ų65.243%0.42532%0.32SS..Hα-helixtrans-63-42.7-176.6-175.159.26900112.5K312 Q313 I319 N320K312-Q316 PolarHBondContact O-N 3.38Å; Q313-Q316 PolarHBondContact O-N 3.05Å; Q313-Q316 VanDerWaalsContact O-N 3.13Å; Q316-I319 PolarHBondContact O-N 3Å; Q316-N320 PolarHBondContact NE2-OD1 2.98Å; Q316-N320 WeakPolarHBondContact O-CB 3.43Å; Q316-N320 PolarHBondContact O-N 3.49Å; Q316-N320 PolarHBondContact O-ND2 2.81Å; Q316-N320 PolarHBondContact O-OD1 2.96Å
317E94.7Very high92.8Very high68 Ų6864.9 Ų64.932%0.31832%0.317SS..Hα-helixtrans-62.3-46.6176.8-72.5175.4-171.700111Q313 C314 V315 I319 N320 I321Q313-E317 HydrophobicContact CG-CG 4.43Å; Q313-E317 VanDerWaalsContact CG-OE1 3.28Å; Q313-E317 WeakPolarHBondContact CG-OE1 3.2Å; Q313-E317 PolarHBondContact NE2-OE1 2.78Å; Q313-E317 WeakPolarHBondContact O-CG 3.26Å; Q313-E317 PolarHBondContact O-N 3.11Å; C314-E317 PolarHBondContact O-N 2.77Å; V315-E317 PolarHBondContact O-N 2.98Å; E317-I319 PolarHBondContact O-N 2.72Å; E317-N320 WeakPolarHBondContact O-CB 3.22Å; E317-N320 PolarHBondContact O-N 2.74Å; E317-I321 WeakPolarHBondContact O-CG1 3.45Å; E317-I321 PolarHBondContact O-N 2.82Å
318Q95.7Very high93Very high7 Ų767.4 Ų67.43%0.03333%0.33CS..Hα-helixtrans-60.1-46.1177.8-161.7-167.84400112.2D136 I137 F283 C314 V315 N320 I321 V322D136-Q318 PolarHBondContact O-NE2 3.43Å; I137-Q318 HydrophobicContact CD1-CB 4.28Å; I137-Q318 HydrophobicContact CD1-CG 3.31Å; I137-Q318 HydrophobicContact CG1-CG 4.42Å; F283-Q318 PolarHBondContact O-NE2 3.05Å; C314-Q318 VanDerWaalsContact O-CB 3.31Å; C314-Q318 WeakPolarHBondContact O-CB 3.35Å; C314-Q318 PolarHBondContact O-N 2.66Å; V315-Q318 PolarHBondContact O-N 3Å; Q318-N320 VanDerWaalsContact C-N 3.31Å; Q318-N320 PolarHBondContact O-N 2.65Å; Q318-I321 PolarHBondContact O-N 3.32Å; Q318-V322 WeakPolarHBondContact O-CG2 3.34Å; Q318-V322 PolarHBondContact O-N 3.38Å
319I95Very high93Very high20 Ų2067 Ų6710%0.10333%0.329CS..Hα-helixtrans-63.3-38.4179.1-67.3-62.3000111.3E280 D281 V315 Q316 E317 V322 K323E280-I319 HydrophobicContact CB-CD1 3.98Å; E280-I319 HydrophobicContact CB-CG1 4.02Å; E280-I319 HydrophobicContact CG-CG1 4.4Å; D281-I319 WeakPolarHBondContact O-CD1 3.16Å; V315-I319 HydrophobicContact CG1-CG1 4.33Å; V315-I319 WeakPolarHBondContact O-CB 3.23Å; V315-I319 VanDerWaalsContact O-CG1 3.23Å; V315-I319 WeakPolarHBondContact O-CG1 3.32Å; V315-I319 PolarHBondContact O-N 2.67Å; Q316-I319 PolarHBondContact O-N 3Å; E317-I319 PolarHBondContact O-N 2.72Å; I319-V322 PolarHBondContact O-N 3.28Å; I319-K323 HydrophobicContact CG2-CD 4.03Å; I319-K323 HydrophobicContact CG2-CG 4.45Å; I319-K323 WeakPolarHBondContact O-CB 3.36Å; I319-K323 VanDerWaalsContact O-CG 3.29Å; I319-K323 WeakPolarHBondContact O-CG 3.46Å; I319-K323 PolarHBondContact O-N 3.17Å
320N95.3Very high93Very high83 Ų8361.8 Ų61.844%0.44431%0.313SS..Hα-helixtrans-63-43.8176-70.4-18.2000111.5Q316 E317 Q318 H324Q316-N320 PolarHBondContact NE2-OD1 2.98Å; Q316-N320 WeakPolarHBondContact O-CB 3.43Å; Q316-N320 PolarHBondContact O-N 3.49Å; Q316-N320 PolarHBondContact O-ND2 2.81Å; Q316-N320 PolarHBondContact O-OD1 2.96Å; E317-N320 WeakPolarHBondContact O-CB 3.22Å; E317-N320 PolarHBondContact O-N 2.74Å; Q318-N320 VanDerWaalsContact C-N 3.31Å; Q318-N320 PolarHBondContact O-N 2.65Å; N320-H324 WeakPolarHBondContact O-CB 3.16Å; N320-H324 PolarHBondContact O-N 3.33Å
321I94.7Very high93.1Very high61 Ų6160.5 Ų60.531%0.31331%0.31SS..Hα-helixtrans-62.9-49.2177.3-66.7165.9000110.5L105 I137 E317 Q318 K323 H324 L325L105-I321 HydrophobicContact CD2-CG2 3.67Å; I137-I321 HydrophobicContact CD1-CB 3.93Å; I137-I321 HydrophobicContact CD1-CD1 4.12Å; I137-I321 HydrophobicContact CD1-CG2 3.75Å; I137-I321 HydrophobicContact CG1-CG2 4.37Å; I137-I321 HydrophobicContact CG2-CG2 4.3Å; E317-I321 WeakPolarHBondContact O-CG1 3.45Å; E317-I321 PolarHBondContact O-N 2.82Å; Q318-I321 PolarHBondContact O-N 3.32Å; I321-K323 VanDerWaalsContact C-N 3.34Å; I321-K323 PolarHBondContact O-N 2.97Å; I321-H324 WeakPolarHBondContact O-CB 3.24Å; I321-H324 PolarHBondContact O-N 3.33Å; I321-H324 VanDerWaalsContact O-N 3.12Å; I321-L325 HydrophobicContact CG2-CD1 3.95Å; I321-L325 HydrophobicContact CG2-CG 4.42Å; I321-L325 WeakPolarHBondContact O-CG 3.41Å; I321-L325 PolarHBondContact O-N 3.44Å
322V93Very high93Very high3 Ų364 Ų642%0.01833%0.328CS..Hα-helixtrans-60.7-43.9-178.9170.40000111.4I137 H140 Q318 I319 H324 L325 G326 I327I137-V322 HydrophobicContact CD1-CG2 4.3Å; H140-V322 HydrophobicContact CB-CG2 4.37Å; Q318-V322 WeakPolarHBondContact O-CG2 3.34Å; Q318-V322 PolarHBondContact O-N 3.38Å; I319-V322 PolarHBondContact O-N 3.28Å; V322-H324 VanDerWaalsContact C-N 3.32Å; V322-H324 PolarHBondContact O-N 3.06Å; V322-L325 PolarHBondContact O-N 3.3Å; V322-G326 PolarHBondContact O-N 3.01Å; V322-I327 VanDerWaalsContact CG1-O 3.28Å; V322-I327 WeakPolarHBondContact CG1-O 3.48Å
323K92.8Very high92.8Very high148 Ų14860.7 Ų60.764%0.64332%0.317SS*.Hα-helixtrans-59.7-42.4174.4-75.9175179.3174.80112.1I319 I321 L325 G326I319-K323 HydrophobicContact CG2-CD 4.03Å; I319-K323 HydrophobicContact CG2-CG 4.45Å; I319-K323 WeakPolarHBondContact O-CB 3.36Å; I319-K323 VanDerWaalsContact O-CG 3.29Å; I319-K323 WeakPolarHBondContact O-CG 3.46Å; I319-K323 PolarHBondContact O-N 3.17Å; I321-K323 VanDerWaalsContact C-N 3.34Å; I321-K323 PolarHBondContact O-N 2.97Å; K323-L325 VanDerWaalsContact C-N 3.28Å; K323-L325 PolarHBondContact O-N 3.27Å; K323-G326 PolarHBondContact O-N 3.26Å; K323-G326 VanDerWaalsContact O-N 3.16Å
324H92.6Very high92.7Very high165 Ų16557.9 Ų57.976%0.76431%0.307SS*.Hα-helixtrans-64.4-33.2178.4-176.371.2000112.6N320 I321 V322 G326N320-H324 WeakPolarHBondContact O-CB 3.16Å; N320-H324 PolarHBondContact O-N 3.33Å; I321-H324 WeakPolarHBondContact O-CB 3.24Å; I321-H324 PolarHBondContact O-N 3.33Å; I321-H324 VanDerWaalsContact O-N 3.12Å; V322-H324 VanDerWaalsContact C-N 3.32Å; V322-H324 PolarHBondContact O-N 3.06Å; H324-G326 PolarHBondContact O-N 3.1Å
325L90.9Very high92.5Very high30 Ų3062 Ų6216%0.15733%0.328CS..THydrogen-bonded Turntrans-73.1-10176.6-67170000113.7L105 V106 V109 I137 I321 V322 K323 I327L105-L325 HydrophobicContact CD1-CD1 4.4Å; L105-L325 HydrophobicContact CD2-CD1 4.07Å; L105-L325 HydrophobicContact CD2-CD2 4.45Å; L105-L325 HydrophobicContact CG-CD1 4.16Å; L105-L325 HydrophobicContact CG-CD2 4.3Å; V106-L325 HydrophobicContact CG2-CD2 4.05Å; V109-L325 HydrophobicContact CG2-CD1 3.86Å; V109-L325 HydrophobicContact CG2-CD2 4.2Å; I137-L325 HydrophobicContact CG2-CD1 4.1Å; I321-L325 HydrophobicContact CG2-CD1 3.95Å; I321-L325 HydrophobicContact CG2-CG 4.42Å; I321-L325 WeakPolarHBondContact O-CG 3.41Å; I321-L325 PolarHBondContact O-N 3.44Å; V322-L325 PolarHBondContact O-N 3.3Å; K323-L325 VanDerWaalsContact C-N 3.28Å; K323-L325 PolarHBondContact O-N 3.27Å; L325-I327 VanDerWaalsContact C-N 3.3Å; L325-I327 HydrophobicContact CB-CD1 4.18Å; L325-I327 HydrophobicContact CB-CG1 4.17Å; L325-I327 PolarHBondContact O-N 3.22Å
326G87.3Confident92.1Very high71 Ų7166.6 Ų66.673%0.73235%0.351SS*.THydrogen-bonded Turntrans70.526.6179.700000113.7V322 K323 H324V322-G326 PolarHBondContact O-N 3.01Å; K323-G326 PolarHBondContact O-N 3.26Å; K323-G326 VanDerWaalsContact O-N 3.16Å; H324-G326 PolarHBondContact O-N 3.1Å
327I77.3Confident91.7Very high52 Ų5264.4 Ų64.427%0.26735%0.345SS..  trans-110.10177.3-48.8175.3000107.9V109 V141 K144 V322 L325V109-I327 HydrophobicContact CB-CD1 4.48Å; V109-I327 HydrophobicContact CG1-CD1 3.55Å; V109-I327 HydrophobicContact CG2-CD1 4.16Å; V141-I327 HydrophobicContact CB-CD1 4.28Å; V141-I327 HydrophobicContact CG1-CD1 3.82Å; V141-I327 HydrophobicContact CG2-CD1 3.61Å; K144-I327 HydrophobicContact CB-CG2 3.87Å; K144-I327 HydrophobicContact CD-CB 4.37Å; K144-I327 HydrophobicContact CD-CG2 3.53Å; K144-I327 WeakPolarHBondContact CD-OXT 3.36Å; K144-I327 WeakPolarHBondContact CE-OXT 3.33Å; K144-I327 HydrophobicContact CG-CG2 4.34Å; K144-I327 PolarHBondContact NZ-O 2.93Å; K144-I327 PolarHBondContact NZ-OXT 2.85Å; V322-I327 VanDerWaalsContact CG1-O 3.28Å; V322-I327 WeakPolarHBondContact CG1-O 3.48Å; L325-I327 VanDerWaalsContact C-N 3.3Å; L325-I327 HydrophobicContact CB-CD1 4.18Å; L325-I327 HydrophobicContact CB-CG1 4.17Å; L325-I327 PolarHBondContact O-N 3.22Å

Retrieved 327 of 327 residues in 64.4 ms (Link to these results)

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