A0A5K4F2M4_SCHMA Loading...

PHB domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F2M4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 335 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
1M58.5Low74.2Confident209 Ų209127.1 Ų127.1100%1.0364%0.64SS**  032.40-82.4170.8166.600109.6
2D63.4Low75.5Confident129 Ų129121 Ų12169%0.6962%0.624SS**THydrogen-bonded Turntrans-102.9-9.4-154.7-50-65.4000114Y4D2-Y4 VanDerWaalsContact C-N 3.25Å; D2-Y4 PolarHBondContact O-N 3Å
3N64.7Low76.7Confident130 Ų130116.5 Ų116.570%0.69562%0.615SS**Hα-helixtrans-73-13.7177.6-76.8-9.2000113.8S6 L7N3-S6 PolarHBondContact O-OG 3.47Å; N3-L7 WeakPolarHBondContact O-CG 3.36Å
4Y65.6Low77.8Confident188 Ų188114.6 Ų114.674%0.73761%0.611SS**Hα-helixtrans-76.5-27.8177.9-86.6-84.1000112.9D2 L8D2-Y4 VanDerWaalsContact C-N 3.25Å; D2-Y4 PolarHBondContact O-N 3Å; Y4-L8 PolarHBondContact O-N 3Å
5H67.3Low78.8Confident148 Ų148116.5 Ų116.569%0.68561%0.612SS**Hα-helixtrans-73.4-29-177-76.1-65.5000113.7P9H5-P9 WeakPolarHBondContact O-CD 3.38Å
6S72.6Confident79.6Confident72 Ų72112.2 Ų112.250%0.50360%0.598SS.*Hα-helixtrans-81.5-25.4176.656.50000113.5N3 P9N3-S6 PolarHBondContact O-OG 3.47Å; S6-P9 WeakPolarHBondContact O-CD 3.36Å; S6-P9 WeakPolarHBondContact O-CG 3.4Å
7L79Confident80.3Confident78 Ų78108.5 Ų108.541%0.40859%0.587SS.*Hα-helixtrans-79.4-32.1179-68.7174.4000112.9N3 I10 F11N3-L7 WeakPolarHBondContact O-CG 3.36Å; L7-I10 PolarHBondContact O-N 3.42Å; L7-I10 VanDerWaalsContact O-N 3.14Å; L7-F11 HydrophobicContact CB-CD2 4.06Å; L7-F11 HydrophobicContact CB-CE2 4.02Å; L7-F11 VanDerWaalsContact O-CD2 3.24Å; L7-F11 WeakPolarHBondContact O-CD2 3.31Å; L7-F11 PolarHBondContact O-N 3.43Å
8L82Confident80.8Confident120 Ų120111.2 Ų111.263%0.62859%0.587SS**Hα-helixtrans-54.7-45.8-176.7-154.7144.3000115Y4 I10 F11 A12Y4-L8 PolarHBondContact O-N 3Å; L8-I10 VanDerWaalsContact C-N 3.35Å; L8-I10 PolarHBondContact O-N 3.15Å; L8-F11 PolarHBondContact O-N 3.46Å; L8-A12 WeakPolarHBondContact O-CB 3.23Å; L8-A12 PolarHBondContact O-N 3.23Å
9P86.1Confident81.3Confident77 Ų77108.1 Ų108.150%0.558%0.576SS.*Hα-helixtrans-67.8-3217726.6-35.5000113.3H5 S6 A12 A13H5-P9 WeakPolarHBondContact O-CD 3.38Å; S6-P9 WeakPolarHBondContact O-CD 3.36Å; S6-P9 WeakPolarHBondContact O-CG 3.4Å; P9-A12 PolarHBondContact O-N 3.42Å; P9-A13 WeakPolarHBondContact O-CB 3.37Å; P9-A13 PolarHBondContact O-N 3.27Å
10I87.9Confident81.7Confident104 Ų104108.1 Ų108.153%0.53357%0.574SS.*Hα-helixtrans-67.7-47.1177.1-59.9171.2000109.5L7 L8 A12 A13 V14L7-I10 PolarHBondContact O-N 3.42Å; L7-I10 VanDerWaalsContact O-N 3.14Å; L8-I10 VanDerWaalsContact C-N 3.35Å; L8-I10 PolarHBondContact O-N 3.15Å; I10-A12 VanDerWaalsContact C-N 3.3Å; I10-A12 PolarHBondContact O-N 3.46Å; I10-A13 PolarHBondContact O-N 3.47Å; I10-V14 HydrophobicContact CG2-CG2 4.47Å; I10-V14 WeakPolarHBondContact O-CG2 3.29Å; I10-V14 PolarHBondContact O-N 3.32Å
11F89Confident82.1Confident143 Ų143106.1 Ų106.163%0.62756%0.564SS**Hα-helixtrans-59.1-41.6174-82.3-72.3000111.8L7 L8 F15L7-F11 HydrophobicContact CB-CD2 4.06Å; L7-F11 HydrophobicContact CB-CE2 4.02Å; L7-F11 VanDerWaalsContact O-CD2 3.24Å; L7-F11 WeakPolarHBondContact O-CD2 3.31Å; L7-F11 PolarHBondContact O-N 3.43Å; L8-F11 PolarHBondContact O-N 3.46Å; F11-F15 WeakPolarHBondContact O-CB 3.34Å; F11-F15 PolarHBondContact O-N 3.17Å
12A89.9Confident83.6Confident54 Ų5499.7 Ų99.745%0.44653%0.533SS..Hα-helixtrans-63.2-42.7176.700000112.6L8 P9 I10 F15 A16L8-A12 WeakPolarHBondContact O-CB 3.23Å; L8-A12 PolarHBondContact O-N 3.23Å; P9-A12 PolarHBondContact O-N 3.42Å; I10-A12 VanDerWaalsContact C-N 3.3Å; I10-A12 PolarHBondContact O-N 3.46Å; A12-F15 PolarHBondContact O-N 3.26Å; A12-A16 WeakPolarHBondContact O-CB 3.45Å; A12-A16 PolarHBondContact O-N 2.9Å
13A91.3Very high84.8Confident62 Ų6296.2 Ų96.251%0.51253%0.527SS..Hα-helixtrans-67.1-43.417800000112.4P9 I10 A16 A17P9-A13 WeakPolarHBondContact O-CB 3.37Å; P9-A13 PolarHBondContact O-N 3.27Å; I10-A13 PolarHBondContact O-N 3.47Å; A13-A16 PolarHBondContact O-N 3.37Å; A13-A17 WeakPolarHBondContact O-CB 3.43Å; A13-A17 PolarHBondContact O-N 3.36Å
14V92.3Very high85.9Confident91 Ų9194.4 Ų94.455%0.55252%0.516SS*.Hα-helixtrans-62.8-44.3175172.50000110.4I10 A17 W18I10-V14 HydrophobicContact CG2-CG2 4.47Å; I10-V14 WeakPolarHBondContact O-CG2 3.29Å; I10-V14 PolarHBondContact O-N 3.32Å; V14-A17 PolarHBondContact O-N 2.96Å; V14-W18 VanDerWaalsContact O-CB 3.27Å; V14-W18 WeakPolarHBondContact O-CB 3.24Å; V14-W18 PolarHBondContact O-N 2.88Å
15F92.3Very high87.1Confident143 Ų14385.9 Ų85.963%0.62749%0.485SS*.Hα-helixtrans-62.2-43.3176.6-176-97.1000111.9F11 A12 W18 S19F11-F15 WeakPolarHBondContact O-CB 3.34Å; F11-F15 PolarHBondContact O-N 3.17Å; A12-F15 PolarHBondContact O-N 3.26Å; F15-W18 PolarHBondContact O-N 3.16Å; F15-S19 WeakPolarHBondContact O-CB 3.27Å; F15-S19 PolarHBondContact O-N 3.34Å; F15-S19 PolarHBondContact O-OG 2.9Å
16A92.3Very high88.3Confident47 Ų4784 Ų8439%0.38848%0.475SS..Hα-helixtrans-62.4-47.4175.700000111.7A12 A13 W18 S19 I20A12-A16 WeakPolarHBondContact O-CB 3.45Å; A12-A16 PolarHBondContact O-N 2.9Å; A13-A16 PolarHBondContact O-N 3.37Å; A16-W18 VanDerWaalsContact C-N 3.33Å; A16-W18 PolarHBondContact O-N 3.19Å; A16-S19 WeakPolarHBondContact O-CB 3.4Å; A16-S19 PolarHBondContact O-N 3.04Å; A16-I20 VanDerWaalsContact O-CG1 3.27Å; A16-I20 WeakPolarHBondContact O-CG1 3.3Å; A16-I20 PolarHBondContact O-N 3.24Å
17A91Very high89.3Confident50 Ų5081.3 Ų81.341%0.41345%0.454SS..Hα-helixtrans-60.4-42.4176.200000111.9A13 V14 I20 L21A13-A17 WeakPolarHBondContact O-CB 3.43Å; A13-A17 PolarHBondContact O-N 3.36Å; V14-A17 PolarHBondContact O-N 2.96Å; A17-I20 PolarHBondContact O-N 2.84Å; A17-L21 WeakPolarHBondContact O-CB 3.46Å; A17-L21 VanDerWaalsContact O-CG 3.3Å; A17-L21 WeakPolarHBondContact O-CG 3.31Å; A17-L21 PolarHBondContact O-N 3.45Å
18W89.6Confident90Very high157 Ų15781.9 Ų81.960%0.59546%0.455SS*.Hα-helixtrans-66.1-39.8177.5-155.873.8000112V14 F15 A16 L21 L22V14-W18 VanDerWaalsContact O-CB 3.27Å; V14-W18 WeakPolarHBondContact O-CB 3.24Å; V14-W18 PolarHBondContact O-N 2.88Å; F15-W18 PolarHBondContact O-N 3.16Å; A16-W18 VanDerWaalsContact C-N 3.33Å; A16-W18 PolarHBondContact O-N 3.19Å; W18-L21 PolarHBondContact O-N 3.43Å; W18-L22 HydrophobicContact CD2-CD1 4.05Å; W18-L22 HydrophobicContact CD2-CG 4.28Å; W18-L22 HydrophobicContact CE3-CD1 3.4Å; W18-L22 HydrophobicContact CE3-CG 4.11Å; W18-L22 HydrophobicContact CH2-CD1 3.72Å; W18-L22 HydrophobicContact CH2-CD2 4.41Å; W18-L22 HydrophobicContact CH2-CG 4.39Å; W18-L22 HydrophobicContact CZ2-CD1 4.32Å; W18-L22 HydrophobicContact CZ2-CD2 4.44Å; W18-L22 HydrophobicContact CZ3-CD1 3.23Å; W18-L22 HydrophobicContact CZ3-CG 4.2Å; W18-L22 WeakPolarHBondContact O-CB 3.25Å; W18-L22 WeakPolarHBondContact O-CG 3.01Å; W18-L22 PolarHBondContact O-N 3.4Å
19S90.3Very high90.7Very high52 Ų5276.3 Ų76.336%0.36443%0.425SS..Hα-helixtrans-62.5-42.3174.9-54.90000111.8F15 A16 L22 G23F15-S19 WeakPolarHBondContact O-CB 3.27Å; F15-S19 PolarHBondContact O-N 3.34Å; F15-S19 PolarHBondContact O-OG 2.9Å; A16-S19 WeakPolarHBondContact O-CB 3.4Å; A16-S19 PolarHBondContact O-N 3.04Å; S19-L22 PolarHBondContact O-N 3.43Å; S19-G23 PolarHBondContact O-N 2.85Å
20I90Very high91.1Very high108 Ų10877.4 Ų77.455%0.55443%0.427SS*.Hα-helixtrans-65.3-46.1175.9-66.7163.2000110.5A16 A17 L22 G23 M24A16-I20 VanDerWaalsContact O-CG1 3.27Å; A16-I20 WeakPolarHBondContact O-CG1 3.3Å; A16-I20 PolarHBondContact O-N 3.24Å; A17-I20 PolarHBondContact O-N 2.84Å; I20-L22 VanDerWaalsContact C-N 3.34Å; I20-L22 PolarHBondContact O-N 3.32Å; I20-G23 PolarHBondContact O-N 2.9Å; I20-M24 HydrophobicContact CG2-CE 4.12Å; I20-M24 WeakPolarHBondContact O-CG 3.05Å; I20-M24 PolarHBondContact O-N 3.33Å
21L89.6Confident91.4Very high67 Ų6779.9 Ų79.935%0.35144%0.436SS..Hα-helixtrans-61.5-41.5177.3-73.8168.5000112A17 W18 M24 A25 P57 I58A17-L21 WeakPolarHBondContact O-CB 3.46Å; A17-L21 VanDerWaalsContact O-CG 3.3Å; A17-L21 WeakPolarHBondContact O-CG 3.31Å; A17-L21 PolarHBondContact O-N 3.45Å; W18-L21 PolarHBondContact O-N 3.43Å; L21-M24 HydrophobicContact CD2-CE 3.87Å; L21-M24 PolarHBondContact O-N 2.86Å; L21-A25 WeakPolarHBondContact O-CB 3.48Å; L21-A25 PolarHBondContact O-N 2.86Å; L21-P57 HydrophobicContact CB-CG 4.3Å; L21-P57 HydrophobicContact CD2-CB 4.31Å; L21-P57 HydrophobicContact CD2-CG 3.72Å; L21-I58 HydrophobicContact CD2-CD1 4.42Å
22L88.7Confident91.7Very high74 Ų7473.8 Ų73.839%0.38741%0.413SS..Hα-helixtrans-64-42.4174.7-78.6-179.8000112.3W18 S19 I20 M24 A25 F26W18-L22 HydrophobicContact CD2-CD1 4.05Å; W18-L22 HydrophobicContact CD2-CG 4.28Å; W18-L22 HydrophobicContact CE3-CD1 3.4Å; W18-L22 HydrophobicContact CE3-CG 4.11Å; W18-L22 HydrophobicContact CH2-CD1 3.72Å; W18-L22 HydrophobicContact CH2-CD2 4.41Å; W18-L22 HydrophobicContact CH2-CG 4.39Å; W18-L22 HydrophobicContact CZ2-CD1 4.32Å; W18-L22 HydrophobicContact CZ2-CD2 4.44Å; W18-L22 HydrophobicContact CZ3-CD1 3.23Å; W18-L22 HydrophobicContact CZ3-CG 4.2Å; W18-L22 WeakPolarHBondContact O-CB 3.25Å; W18-L22 WeakPolarHBondContact O-CG 3.01Å; W18-L22 PolarHBondContact O-N 3.4Å; S19-L22 PolarHBondContact O-N 3.43Å; I20-L22 VanDerWaalsContact C-N 3.34Å; I20-L22 PolarHBondContact O-N 3.32Å; L22-M24 VanDerWaalsContact C-N 3.26Å; L22-M24 PolarHBondContact O-N 2.89Å; L22-A25 WeakPolarHBondContact O-CB 3.48Å; L22-A25 PolarHBondContact O-N 3.18Å; L22-A25 VanDerWaalsContact O-N 3.13Å; L22-F26 PolarHBondContact O-N 2.79Å
23G89.2Confident91.9Very high55 Ų5573.3 Ų73.357%0.56740%0.402SS*.Hα-helixtrans-60.8-35.3175.900000112.7S19 I20S19-G23 PolarHBondContact O-N 2.85Å; I20-G23 PolarHBondContact O-N 2.9Å
24M88.4Confident92.1Very high93 Ų9370.7 Ų70.746%0.45838%0.38SS..Hα-helixtrans-79.7-24.7174.2-65.7-170.3-6100113.7I20 L21 L22 M55 P57I20-M24 HydrophobicContact CG2-CE 4.12Å; I20-M24 WeakPolarHBondContact O-CG 3.05Å; I20-M24 PolarHBondContact O-N 3.33Å; L21-M24 HydrophobicContact CD2-CE 3.87Å; L21-M24 PolarHBondContact O-N 2.86Å; L22-M24 VanDerWaalsContact C-N 3.26Å; L22-M24 PolarHBondContact O-N 2.89Å; M24-M55 WeakPolarHBondContact O-CE 3.43Å; M24-P57 HydrophobicContact CB-CB 3.89Å; M24-P57 HydrophobicContact CE-CB 4.21Å
25A91Very high92.2Very high9 Ų966.4 Ų66.47%0.07435%0.353CS..Hα-helixtrans-74.1-35.5178.200000111.8L21 L22 L54 M55L21-A25 WeakPolarHBondContact O-CB 3.48Å; L21-A25 PolarHBondContact O-N 2.86Å; L22-A25 WeakPolarHBondContact O-CB 3.48Å; L22-A25 PolarHBondContact O-N 3.18Å; L22-A25 VanDerWaalsContact O-N 3.13Å; A25-L54 HydrophobicContact CB-CD2 4.23Å; A25-L54 CarbonylContact O-C 3.22Å; A25-L54 WeakPolarHBondContact O-CA 3.34Å; A25-M55 VanDerWaalsContact CA-O 3.23Å; A25-M55 WeakPolarHBondContact CA-O 3.24Å; A25-M55 WeakPolarHBondContact CB-O 3.47Å; A25-M55 WeakPolarHBondContact O-CG 3.4Å; A25-M55 PolarHBondContact O-N 3.39Å
26F92.4Very high92.4Very high109 Ų10959.6 Ų59.648%0.47832%0.324SS..EExtended strand (participates in β ladder)trans-83.3125.8-177.5-169.5-98000111L22 Y52 L54L22-F26 PolarHBondContact O-N 2.79Å; F26-Y52 HydrophobicContact CD1-CD1 4.28Å; F26-Y52 AromaticContact CE1-CD1 3.2Å; F26-Y52 HydrophobicContact CE1-CD1 3.2Å; F26-Y52 AromaticContact CE1-CE1 3.51Å; F26-Y52 HydrophobicContact CE1-CE1 3.51Å; F26-Y52 HydrophobicContact CE1-CG 4.03Å; F26-Y52 HydrophobicContact CE2-CD1 4.01Å; F26-Y52 HydrophobicContact CE2-CG 4.05Å; F26-Y52 AromaticContact CZ-CD1 3.03Å; F26-Y52 HydrophobicContact CZ-CD1 3.03Å; F26-Y52 HydrophobicContact CZ-CD2 4.25Å; F26-Y52 AromaticContact CZ-CE1 3.66Å; F26-Y52 HydrophobicContact CZ-CE1 3.66Å; F26-Y52 AromaticContact CZ-CG 3.36Å; F26-Y52 HydrophobicContact CZ-CG 3.36Å; F26-L54 HydrophobicContact CB-CD2 4.23Å; F26-L54 HydrophobicContact CD2-CD2 4.05Å
27H93.3Very high92.5Very high14 Ų1458 Ų587%0.06531%0.307CS..EExtended strand (participates in β ladder)trans-144.3164.3173.171-64.8000110.4Y37 H53 Y62H27-Y37 AromaticContact CE1-CE1 3.48Å; H27-Y37 VanDerWaalsContact CE1-CE1 3.48Å; H27-Y37 WeakPolarHBondContact CE1-CE1 3.47Å; H27-Y37 AromaticContact CE1-CZ 3.78Å; H27-Y37 PolarHBondContact CE1-OH 3.34Å; H27-Y37 AromaticContact NE2-CE1 3.6Å; H27-Y37 AromaticContact NE2-CZ 3.64Å; H27-Y37 PolarHBondContact NE2-OH 3.05Å; H27-H53 PolarHBondContact N-O 3.23Å; H27-H53 PolarHBondContact ND1-O 3.36Å; H27-H53 PolarHBondContact O-N 3.29Å; H27-Y62 HydrophobicContact CB-CE1 3.85Å; H27-Y62 AromaticContact CD2-CD1 3.48Å; H27-Y62 VanDerWaalsContact CD2-CD1 3.48Å; H27-Y62 WeakPolarHBondContact CD2-CD1 3.43Å; H27-Y62 AromaticContact CD2-CD2 3.71Å; H27-Y62 AromaticContact CD2-CE1 3.31Å; H27-Y62 WeakPolarHBondContact CD2-CE1 3.39Å; H27-Y62 AromaticContact CD2-CE2 3.54Å; H27-Y62 AromaticContact CD2-CG 3.68Å; H27-Y62 AromaticContact CD2-CZ 3.34Å; H27-Y62 AromaticContact CG-CD1 3.93Å; H27-Y62 AromaticContact CG-CE1 3.63Å; H27-Y62 AromaticContact CG-CZ 3.97Å; H27-Y62 AromaticContact NE2-CD1 3.82Å; H27-Y62 AromaticContact NE2-CD2 3.89Å; H27-Y62 AromaticContact NE2-CG 3.69Å
28Q94.3Very high92.7Very high91 Ų9157.6 Ų57.643%0.42530%0.296SS..EExtended strand (participates in β ladder)trans-115.6138.7179-175.6177.6-12.700109.7G51 Y52Q28-G51 WeakPolarHBondContact CA-O 3.48Å; Q28-Y52 HydrophobicContact CB-CD1 3.86Å; Q28-Y52 HydrophobicContact CB-CE1 3.87Å; Q28-Y52 HydrophobicContact CG-CD1 4.13Å; Q28-Y52 HydrophobicContact CG-CE1 4Å
29I95.2Very high92.9Very high2 Ų255.7 Ų55.71%0.0129%0.289CS..EExtended strand (participates in β ladder)trans-102.5123.3167.3-60.5168.9000106.9H33 G35 N48 G49 P50 G51 H53I29-H33 HydrophobicContact CG2-CB 3.97Å; I29-H33 WeakPolarHBondContact CG2-O 3.39Å; I29-G35 VanDerWaalsContact CD1-CA 3.48Å; I29-N48 HydrophobicContact CD1-CB 4.07Å; I29-G49 WeakPolarHBondContact CD1-O 3.33Å; I29-P50 WeakPolarHBondContact O-CA 3.28Å; I29-G51 PolarHBondContact N-O 3.38Å; I29-G51 PolarHBondContact O-N 2.91Å; I29-H53 VanDerWaalsContact CD1-CD2 3.45Å; I29-H53 WeakPolarHBondContact CD1-CD2 3.42Å
30D95.5Very high93Very high101 Ų10156.6 Ų56.654%0.5431%0.306SS..PPolyproline II helixtrans-68.5153.7178.5-66.6-36.1000111.5H33D30-H33 PolarHBondContact O-N 3.03Å; D30-H33 VanDerWaalsContact O-N 3.17Å
31E94.6Very high93Very high156 Ų15654.6 Ų54.673%0.72931%0.312SS*.THydrogen-bonded Turntrans-54.6143.2171.1-74.1-65.616500111H33 P50E31-H33 VanDerWaalsContact C-N 3.26Å; E31-H33 PolarHBondContact O-N 3.49Å; E31-H33 PolarHBondContact O-ND1 3.04Å; E31-P50 HydrophobicContact CG-CB 4.36Å; E31-P50 WeakPolarHBondContact OE2-CG 3.27Å
32G93.5Very high93.2Very high14 Ų1454.4 Ų54.414%0.14432%0.32CS..THydrogen-bonded Turntrans77.74.6-175.700000115.7I67 T68G32-I67 WeakPolarHBondContact O-CG1 3.34Å; G32-I67 PolarHBondContact O-N 3.35Å; G32-T68 PolarHBondContact O-N 2.89Å
33H95.4Very high93.5Very high45 Ų4553 Ų5321%0.20831%0.313CS..EExtended strand (participates in β ladder)trans-119.7152.6172.7-63.875.4000111.9I29 D30 E31 P64 V65I29-H33 HydrophobicContact CG2-CB 3.97Å; I29-H33 WeakPolarHBondContact CG2-O 3.39Å; D30-H33 PolarHBondContact O-N 3.03Å; D30-H33 VanDerWaalsContact O-N 3.17Å; E31-H33 VanDerWaalsContact C-N 3.26Å; E31-H33 PolarHBondContact O-N 3.49Å; E31-H33 PolarHBondContact O-ND1 3.04Å; H33-P64 HydrophobicContact CB-CB 4.18Å; H33-V65 CarbonylContact C-O 3.59Å; H33-V65 VanDerWaalsContact CA-O 3.25Å; H33-V65 WeakPolarHBondContact CA-O 3.29Å
34V95Very high93.7Very high7 Ų752.6 Ų52.64%0.04230%0.297CS..EExtended strand (participates in β ladder)trans-116.5127.8169.8171.80000108.2T47 V65 I67 V103V34-T47 HydrophobicContact CG1-CG2 4.2Å; V34-V65 PolarHBondContact N-O 3.47Å; V34-V65 PolarHBondContact O-N 2.9Å; V34-I67 HydrophobicContact CB-CG2 4.1Å; V34-I67 HydrophobicContact CG2-CB 4.47Å; V34-I67 HydrophobicContact CG2-CD1 3.74Å; V34-I67 HydrophobicContact CG2-CG1 4.1Å; V34-I67 HydrophobicContact CG2-CG2 3.6Å; V34-V103 HydrophobicContact CB-CG1 4.39Å; V34-V103 HydrophobicContact CB-CG2 4.37Å; V34-V103 HydrophobicContact CG1-CB 4.42Å; V34-V103 HydrophobicContact CG1-CG1 4.07Å; V34-V103 HydrophobicContact CG1-CG2 4.45Å
35G95Very high93.9Very high0 Ų052.7 Ų52.70%031%0.307CS..EExtended strand (participates in β ladder)trans-82.5122.1179.200000111.2I29 Y37 N48I29-G35 VanDerWaalsContact CD1-CA 3.48Å; G35-Y37 WeakPolarHBondContact O-CD2 3.38Å; G35-Y37 WeakPolarHBondContact O-CE2 3.38Å; G35-N48 PolarHBondContact N-O 3.46Å; G35-N48 PolarHBondContact O-N 2.98Å
36V95.2Very high93.8Very high0 Ų059.1 Ų59.10%034%0.335CS..EExtended strand (participates in β ladder)trans-108.1127.3175.8-175.80000109.1Y38 L43 T47 Y62 K63 V65 V103 V107V36-Y38 HydrophobicContact CG1-CE2 4.29Å; V36-L43 HydrophobicContact CG1-CD1 3.07Å; V36-L43 HydrophobicContact CG1-CG 4.45Å; V36-T47 HydrophobicContact CG2-CG2 4.17Å; V36-Y62 CarbonylContact O-C 3.54Å; V36-Y62 VanDerWaalsContact O-CA 3.28Å; V36-Y62 WeakPolarHBondContact O-CA 3.27Å; V36-K63 PolarHBondContact N-O 3.45Å; V36-K63 PolarHBondContact O-N 2.99Å; V36-V65 HydrophobicContact CB-CG2 4.41Å; V36-V65 HydrophobicContact CG2-CB 4.42Å; V36-V65 HydrophobicContact CG2-CG2 3.69Å; V36-V103 HydrophobicContact CG2-CG1 3.55Å; V36-V107 HydrophobicContact CG1-CG1 4.02Å; V36-V107 HydrophobicContact CG2-CG2 4.37Å
37Y94.9Very high93.9Very high13 Ų1356.2 Ų56.25%0.05133%0.327CS..EExtended strand (participates in β ladder)trans-109.4138.1-170.2-63.1-98.3000112H27 G35 L44 N48 H53 M55 T60H27-Y37 AromaticContact CE1-CE1 3.48Å; H27-Y37 VanDerWaalsContact CE1-CE1 3.48Å; H27-Y37 WeakPolarHBondContact CE1-CE1 3.47Å; H27-Y37 AromaticContact CE1-CZ 3.78Å; H27-Y37 PolarHBondContact CE1-OH 3.34Å; H27-Y37 AromaticContact NE2-CE1 3.6Å; H27-Y37 AromaticContact NE2-CZ 3.64Å; H27-Y37 PolarHBondContact NE2-OH 3.05Å; G35-Y37 WeakPolarHBondContact O-CD2 3.38Å; G35-Y37 WeakPolarHBondContact O-CE2 3.38Å; Y37-L44 HydrophobicContact CG-CD1 4.48Å; Y37-L44 WeakPolarHBondContact O-CB 3.48Å; Y37-L44 PolarHBondContact O-N 2.8Å; Y37-N48 HydrophobicContact CE2-CB 3.8Å; Y37-N48 VanDerWaalsContact CE2-ND2 3.27Å; Y37-N48 WeakPolarHBondContact CE2-ND2 3.3Å; Y37-N48 PolarHBondContact OH-ND2 3.2Å; Y37-N48 VanDerWaalsContact OH-ND2 3.15Å; Y37-H53 VanDerWaalsContact OH-CB 3.23Å; Y37-H53 WeakPolarHBondContact OH-CB 3.47Å; Y37-M55 HydrophobicContact CD1-CB 4.39Å; Y37-M55 HydrophobicContact CE1-CB 4.2Å; Y37-T60 HydrophobicContact CD1-CG2 3.91Å
38Y95.2Very high93.9Very high42 Ų4257.7 Ų57.717%0.16534%0.335CS..EExtended strand (participates in β ladder)trans-116.1126.7174.6-61.9-97.8000108.7V36 A42 L43 T60 T61 K63 V107V36-Y38 HydrophobicContact CG1-CE2 4.29Å; Y38-A42 CarbonylContact C-O 3.48Å; Y38-A42 VanDerWaalsContact CA-O 3.25Å; Y38-A42 WeakPolarHBondContact CA-O 3.46Å; Y38-L43 HydrophobicContact CD1-CB 4.32Å; Y38-L43 HydrophobicContact CD1-CD1 4.48Å; Y38-L43 HydrophobicContact CE1-CB 4.19Å; Y38-L43 HydrophobicContact CE1-CD1 4.1Å; Y38-L43 HydrophobicContact CE2-CD1 4.44Å; Y38-T60 CarbonylContact O-C 3.6Å; Y38-T60 WeakPolarHBondContact O-CA 3.36Å; Y38-T61 PolarHBondContact N-O 3.27Å; Y38-T61 PolarHBondContact O-N 3.3Å; Y38-K63 HydrophobicContact CE2-CB 4.38Å; Y38-K63 HydrophobicContact CE2-CD 4.25Å; Y38-K63 HydrophobicContact CE2-CG 4.21Å; Y38-V107 WeakPolarHBondContact OH-CG1 3.29Å
39R94.8Very high93.9Very high118 Ų11855 Ų5545%0.44533%0.331SS..EExtended strand (participates in β ladder)trans-117.2114.8176.2-176.2177.5-70.1161.70.6109.4G41 A42 L44 I59 T60R39-G41 PolarHBondContact O-N 2.89Å; R39-A42 PolarHBondContact N-O 3.31Å; R39-A42 PolarHBondContact O-N 2.91Å; R39-L44 HydrophobicContact CB-CD1 3.92Å; R39-L44 HydrophobicContact CB-CG 4.27Å; R39-I59 WeakPolarHBondContact CA-O 3.32Å; R39-I59 HydrophobicContact CG-CG2 3.8Å; R39-T60 PolarHBondContact NE-OG1 2.89Å
40G92.4Very high93.9Very high70 Ų7057.4 Ų57.472%0.72235%0.347SS*.THydrogen-bonded Turntrans58.130.5-175.300000113.2A42 I59G40-A42 VanDerWaalsContact C-N 3.34Å; G40-I59 PolarHBondContact N-O 3.46Å
41G89.2Confident93.9Very high67 Ų6753.8 Ų53.869%0.69133%0.334SS*.THydrogen-bonded Turntrans86.7-11.3-176.100000115.6R39R39-G41 PolarHBondContact O-N 2.89Å
42A93.7Very high93.9Very high63 Ų6353.5 Ų53.552%0.52133%0.327SS..EExtended strand (participates in β ladder)trans-89.1133.7176.600000111.6Y38 R39 G40 L44Y38-A42 CarbonylContact C-O 3.48Å; Y38-A42 VanDerWaalsContact CA-O 3.25Å; Y38-A42 WeakPolarHBondContact CA-O 3.46Å; R39-A42 PolarHBondContact N-O 3.31Å; R39-A42 PolarHBondContact O-N 2.91Å; G40-A42 VanDerWaalsContact C-N 3.34Å; A42-L44 PolarHBondContact O-N 3.2Å
43L95.1Very high93.9Very high44 Ų4454.9 Ų54.923%0.2333%0.33CS..EExtended strand (participates in β ladder)trans-69.4125175.617765.5000110.8V36 Y38 V107 K108V36-L43 HydrophobicContact CG1-CD1 3.07Å; V36-L43 HydrophobicContact CG1-CG 4.45Å; Y38-L43 HydrophobicContact CD1-CB 4.32Å; Y38-L43 HydrophobicContact CD1-CD1 4.48Å; Y38-L43 HydrophobicContact CE1-CB 4.19Å; Y38-L43 HydrophobicContact CE1-CD1 4.1Å; Y38-L43 HydrophobicContact CE2-CD1 4.44Å; L43-V107 HydrophobicContact CD1-CG1 4.43Å; L43-V107 HydrophobicContact CD2-CG1 4.4Å; L43-K108 HydrophobicContact CD2-CB 3.66Å; L43-K108 HydrophobicContact CD2-CG 4.24Å
44L94.1Very high93.7Very high47 Ų4758.9 Ų58.925%0.24635%0.352CS..EExtended strand (participates in β ladder)trans-74.8144.7174.9-75.5147.6000110.6Y37 R39 A42 Q46 T60 H104Y37-L44 HydrophobicContact CG-CD1 4.48Å; Y37-L44 WeakPolarHBondContact O-CB 3.48Å; Y37-L44 PolarHBondContact O-N 2.8Å; R39-L44 HydrophobicContact CB-CD1 3.92Å; R39-L44 HydrophobicContact CB-CG 4.27Å; A42-L44 PolarHBondContact O-N 3.2Å; L44-Q46 VanDerWaalsContact C-N 3.28Å; L44-Q46 PolarHBondContact O-N 2.91Å; L44-T60 HydrophobicContact CD1-CG2 4.38Å; L44-H104 PolarHBondContact O-CE1 2.95Å; L44-H104 PolarHBondContact O-ND1 2.72Å; L44-H104 VanDerWaalsContact O-ND1 3.14Å
45S91.5Very high93.6Very high94 Ų9460.1 Ų60.166%0.65736%0.358SS*.EExtended strand (participates in β ladder)trans-70-22.7-177.853.80000114.2H104S45-H104 VanDerWaalsContact CA-CE1 3.46Å; S45-H104 WeakPolarHBondContact CA-CE1 3.45Å
46Q90.3Very high93.4Very high144 Ų14464.1 Ų64.167%0.67338%0.379SS*.EExtended strand (participates in β ladder)trans-96.3132.1-179.1-65.1-176.48.300110.5L44L44-Q46 VanDerWaalsContact C-N 3.28Å; L44-Q46 PolarHBondContact O-N 2.91Å
47T93.5Very high93Very high48 Ų4865.3 Ų65.329%0.29439%0.386SS..EExtended strand (participates in β ladder)trans-105.6137.7169.954.60000109.1V34 V36 V103 H104V34-T47 HydrophobicContact CG1-CG2 4.2Å; V36-T47 HydrophobicContact CG2-CG2 4.17Å; T47-V103 HydrophobicContact CG2-CG1 4.4Å; T47-H104 HydrophobicContact CG2-CB 4.02Å
48N94.1Very high92.7Very high46 Ų4671.9 Ų71.925%0.24642%0.421CS..EExtended strand (participates in β ladder)trans-104.7138.8179.7-65.1-15.7000110.6I29 G35 Y37 H53I29-N48 HydrophobicContact CD1-CB 4.07Å; G35-N48 PolarHBondContact N-O 3.46Å; G35-N48 PolarHBondContact O-N 2.98Å; Y37-N48 HydrophobicContact CE2-CB 3.8Å; Y37-N48 VanDerWaalsContact CE2-ND2 3.27Å; Y37-N48 WeakPolarHBondContact CE2-ND2 3.3Å; Y37-N48 PolarHBondContact OH-ND2 3.2Å; Y37-N48 VanDerWaalsContact OH-ND2 3.15Å; N48-H53 PolarHBondContact ND2-ND1 3.07Å
49G94.1Very high92.6Very high33 Ų3374.5 Ų74.534%0.3444%0.436SS..  trans-72.5-173.7172.700000113.3I29 H53I29-G49 WeakPolarHBondContact CD1-O 3.33Å; G49-H53 PolarHBondContact O-NE2 3.21Å
50P94.7Very high92.5Very high53 Ų5369.1 Ų69.134%0.34442%0.417SS..SBendtrans-61.9155.2179.627.5-35.5000112.2I29 E31I29-P50 WeakPolarHBondContact O-CA 3.28Å; E31-P50 HydrophobicContact CG-CB 4.36Å; E31-P50 WeakPolarHBondContact OE2-CG 3.27Å
51G95.1Very high92.5Very high26 Ų2670 Ų7027%0.26841%0.408SS..EExtended strand (participates in β ladder)trans117.4-167.8-179.100000114Q28 I29 H53Q28-G51 WeakPolarHBondContact CA-O 3.48Å; I29-G51 PolarHBondContact N-O 3.38Å; I29-G51 PolarHBondContact O-N 2.91Å; G51-H53 PolarHBondContact O-CD2 3.24Å; G51-H53 VanDerWaalsContact O-CD2 3.29Å
52Y94.6Very high92.7Very high150 Ų15070.5 Ų70.559%0.58839%0.39SS*.EExtended strand (participates in β ladder)trans-90.1129.7-175.6-66.3-71.5000112.1F26 Q28F26-Y52 HydrophobicContact CD1-CD1 4.28Å; F26-Y52 AromaticContact CE1-CD1 3.2Å; F26-Y52 HydrophobicContact CE1-CD1 3.2Å; F26-Y52 AromaticContact CE1-CE1 3.51Å; F26-Y52 HydrophobicContact CE1-CE1 3.51Å; F26-Y52 HydrophobicContact CE1-CG 4.03Å; F26-Y52 HydrophobicContact CE2-CD1 4.01Å; F26-Y52 HydrophobicContact CE2-CG 4.05Å; F26-Y52 AromaticContact CZ-CD1 3.03Å; F26-Y52 HydrophobicContact CZ-CD1 3.03Å; F26-Y52 HydrophobicContact CZ-CD2 4.25Å; F26-Y52 AromaticContact CZ-CE1 3.66Å; F26-Y52 HydrophobicContact CZ-CE1 3.66Å; F26-Y52 AromaticContact CZ-CG 3.36Å; F26-Y52 HydrophobicContact CZ-CG 3.36Å; Q28-Y52 HydrophobicContact CB-CD1 3.86Å; Q28-Y52 HydrophobicContact CB-CE1 3.87Å; Q28-Y52 HydrophobicContact CG-CD1 4.13Å; Q28-Y52 HydrophobicContact CG-CE1 4Å
53H94.4Very high92.7Very high42 Ų4272 Ų7219%0.19438%0.384CS..EExtended strand (participates in β ladder)trans-133.5150.5-177.8-63.7-77.3000111.7H27 I29 Y37 N48 G49 G51H27-H53 PolarHBondContact N-O 3.23Å; H27-H53 PolarHBondContact ND1-O 3.36Å; H27-H53 PolarHBondContact O-N 3.29Å; I29-H53 VanDerWaalsContact CD1-CD2 3.45Å; I29-H53 WeakPolarHBondContact CD1-CD2 3.42Å; Y37-H53 VanDerWaalsContact OH-CB 3.23Å; Y37-H53 WeakPolarHBondContact OH-CB 3.47Å; N48-H53 PolarHBondContact ND2-ND1 3.07Å; G49-H53 PolarHBondContact O-NE2 3.21Å; G51-H53 PolarHBondContact O-CD2 3.24Å; G51-H53 VanDerWaalsContact O-CD2 3.29Å
54L91.9Very high92.7Very high129 Ų12973.3 Ų73.368%0.67540%0.396SS*.EExtended strand (participates in β ladder)trans-104.7124.9176.2-72.3166.3000109.6A25 F26A25-L54 HydrophobicContact CB-CD2 4.23Å; A25-L54 CarbonylContact O-C 3.22Å; A25-L54 WeakPolarHBondContact O-CA 3.34Å; F26-L54 HydrophobicContact CB-CD2 4.23Å; F26-L54 HydrophobicContact CD2-CD2 4.05Å
55M91.7Very high92.7Very high34 Ų3471.5 Ų71.517%0.16739%0.387CS..  trans-116.4158.2170.965.4172.8178.400110.9M24 A25 Y37 P57 T60 Y62M24-M55 WeakPolarHBondContact O-CE 3.43Å; A25-M55 VanDerWaalsContact CA-O 3.23Å; A25-M55 WeakPolarHBondContact CA-O 3.24Å; A25-M55 WeakPolarHBondContact CB-O 3.47Å; A25-M55 WeakPolarHBondContact O-CG 3.4Å; A25-M55 PolarHBondContact O-N 3.39Å; Y37-M55 HydrophobicContact CD1-CB 4.39Å; Y37-M55 HydrophobicContact CE1-CB 4.2Å; M55-P57 WeakPolarHBondContact O-CD 3.3Å; M55-T60 HydrophobicContact CB-CG2 3.94Å; M55-T60 HydrophobicContact SD-CG2 4.49Å; M55-Y62 HydrophobicContact CE-CD1 3.96Å; M55-Y62 HydrophobicContact CE-CE1 4.22Å; M55-Y62 HydrophobicContact SD-CD1 3.8Å
56I91.3Very high92.9Very high84 Ų8470.2 Ų70.243%0.43137%0.37SS..  trans-77.8115175.3-58.9173.4000107.6T60I56-T60 WeakPolarHBondContact O-CB 3.26Å; I56-T60 PolarHBondContact O-N 2.86Å
57P87.3Confident93Very high24 Ų2465.2 Ų65.216%0.15635%0.348CS..THydrogen-bonded Turntrans-61.4156-178.728.1-35.3000110.4L21 M24 M55 I59L21-P57 HydrophobicContact CB-CG 4.3Å; L21-P57 HydrophobicContact CD2-CB 4.31Å; L21-P57 HydrophobicContact CD2-CG 3.72Å; M24-P57 HydrophobicContact CB-CB 3.89Å; M24-P57 HydrophobicContact CE-CB 4.21Å; M55-P57 WeakPolarHBondContact O-CD 3.3Å; P57-I59 PolarHBondContact O-N 3.21Å
58I87.8Confident93.1Very high152 Ų15265.8 Ų65.878%0.77935%0.351SS*.THydrogen-bonded Turntrans73.8-42.9179.7-51.5166.9000114.5L21L21-I58 HydrophobicContact CD2-CD1 4.42Å
59I92.9Very high93.1Very high96 Ų9668.8 Ų68.849%0.49237%0.366SS..THydrogen-bonded Turntrans-98.3-31.8-174-50.4176.3000111.6R39 G40 P57R39-I59 WeakPolarHBondContact CA-O 3.32Å; R39-I59 HydrophobicContact CG-CG2 3.8Å; G40-I59 PolarHBondContact N-O 3.46Å; P57-I59 PolarHBondContact O-N 3.21Å
60T93.3Very high93.1Very high6 Ų668.4 Ų68.44%0.03736%0.356CS..EExtended strand (participates in β ladder)trans-105.7130.1-179.8-59.20000111.1Y37 Y38 R39 L44 M55 I56Y37-T60 HydrophobicContact CD1-CG2 3.91Å; Y38-T60 CarbonylContact O-C 3.6Å; Y38-T60 WeakPolarHBondContact O-CA 3.36Å; R39-T60 PolarHBondContact NE-OG1 2.89Å; L44-T60 HydrophobicContact CD1-CG2 4.38Å; M55-T60 HydrophobicContact CB-CG2 3.94Å; M55-T60 HydrophobicContact SD-CG2 4.49Å; I56-T60 WeakPolarHBondContact O-CB 3.26Å; I56-T60 PolarHBondContact O-N 2.86Å
61T92.6Very high93.1Very high87 Ų8769.9 Ų69.953%0.53436%0.364SS..EExtended strand (participates in β ladder)trans-120.5143.3170.357.60000108.5Y38Y38-T61 PolarHBondContact N-O 3.27Å; Y38-T61 PolarHBondContact O-N 3.3Å
62Y93Very high93Very high78 Ų7869.2 Ų69.231%0.30635%0.354SS..EExtended strand (participates in β ladder)trans-111.5153.6174.279.1-79.4000110.7H27 V36 M55H27-Y62 HydrophobicContact CB-CE1 3.85Å; H27-Y62 AromaticContact CD2-CD1 3.48Å; H27-Y62 VanDerWaalsContact CD2-CD1 3.48Å; H27-Y62 WeakPolarHBondContact CD2-CD1 3.43Å; H27-Y62 AromaticContact CD2-CD2 3.71Å; H27-Y62 AromaticContact CD2-CE1 3.31Å; H27-Y62 WeakPolarHBondContact CD2-CE1 3.39Å; H27-Y62 AromaticContact CD2-CE2 3.54Å; H27-Y62 AromaticContact CD2-CG 3.68Å; H27-Y62 AromaticContact CD2-CZ 3.34Å; H27-Y62 AromaticContact CG-CD1 3.93Å; H27-Y62 AromaticContact CG-CE1 3.63Å; H27-Y62 AromaticContact CG-CZ 3.97Å; H27-Y62 AromaticContact NE2-CD1 3.82Å; H27-Y62 AromaticContact NE2-CD2 3.89Å; H27-Y62 AromaticContact NE2-CG 3.69Å; V36-Y62 CarbonylContact O-C 3.54Å; V36-Y62 VanDerWaalsContact O-CA 3.28Å; V36-Y62 WeakPolarHBondContact O-CA 3.27Å; M55-Y62 HydrophobicContact CE-CD1 3.96Å; M55-Y62 HydrophobicContact CE-CE1 4.22Å; M55-Y62 HydrophobicContact SD-CD1 3.8Å
63K94Very high93Very high95 Ų9564.9 Ų64.941%0.41334%0.34SS..EExtended strand (participates in β ladder)trans-125.4124.6167-72.6-167.5171.2-168.40108.7V36 Y38 A112V36-K63 PolarHBondContact N-O 3.45Å; V36-K63 PolarHBondContact O-N 2.99Å; Y38-K63 HydrophobicContact CE2-CB 4.38Å; Y38-K63 HydrophobicContact CE2-CD 4.25Å; Y38-K63 HydrophobicContact CE2-CG 4.21Å; K63-A112 HydrophobicContact CD-CB 3.65Å
64P94.2Very high93Very high72 Ų7263.2 Ų63.247%0.46833%0.332SS..EExtended strand (participates in β ladder)trans-74.6126.6172.230.9-31.9000109.1H33H33-P64 HydrophobicContact CB-CB 4.18Å
65V94.9Very high93.1Very high9 Ų962.7 Ų62.76%0.05532%0.324CS..EExtended strand (participates in β ladder)trans-108.9125.4174.8-179.70000108.1H33 V34 V36 L98 V103 V107 Y114H33-V65 CarbonylContact C-O 3.59Å; H33-V65 VanDerWaalsContact CA-O 3.25Å; H33-V65 WeakPolarHBondContact CA-O 3.29Å; V34-V65 PolarHBondContact N-O 3.47Å; V34-V65 PolarHBondContact O-N 2.9Å; V36-V65 HydrophobicContact CB-CG2 4.41Å; V36-V65 HydrophobicContact CG2-CB 4.42Å; V36-V65 HydrophobicContact CG2-CG2 3.69Å; V65-L98 HydrophobicContact CG1-CD2 3.68Å; V65-V103 HydrophobicContact CB-CG1 4.1Å; V65-V103 HydrophobicContact CG1-CG1 4.15Å; V65-V103 HydrophobicContact CG2-CG1 4.34Å; V65-V107 HydrophobicContact CG2-CG2 3.97Å; V65-Y114 HydrophobicContact CG1-CE1 4.15Å
66Q94.5Very high93.2Very high67 Ų6765.9 Ų65.931%0.31334%0.342SS..EExtended strand (participates in β ladder)trans-73.1127.1-179.1-169.71702.400110.3T68Q66-T68 VanDerWaalsContact CG-OG1 3.3Å; Q66-T68 WeakPolarHBondContact CG-OG1 3.49Å; Q66-T68 PolarHBondContact NE2-OG1 3.37Å
67I93.9Very high93.4Very high39 Ų3961.9 Ų61.920%0.232%0.322CS..  trans-109.2-8177.854.3158.1000112.8G32 V34 P100 V103G32-I67 WeakPolarHBondContact O-CG1 3.34Å; G32-I67 PolarHBondContact O-N 3.35Å; V34-I67 HydrophobicContact CB-CG2 4.1Å; V34-I67 HydrophobicContact CG2-CB 4.47Å; V34-I67 HydrophobicContact CG2-CD1 3.74Å; V34-I67 HydrophobicContact CG2-CG1 4.1Å; V34-I67 HydrophobicContact CG2-CG2 3.6Å; I67-P100 HydrophobicContact CB-CG 4.49Å; I67-P100 HydrophobicContact CD1-CB 4.41Å; I67-P100 HydrophobicContact CD1-CG 3.82Å; I67-V103 HydrophobicContact CG2-CG2 3.64Å
68T94.3Very high93.7Very high60 Ų6063.2 Ų63.237%0.36833%0.33SS..SBendtrans-75.6169.3173.457.10000111.3G32 Q66 Q70G32-T68 PolarHBondContact O-N 2.89Å; Q66-T68 VanDerWaalsContact CG-OG1 3.3Å; Q66-T68 WeakPolarHBondContact CG-OG1 3.49Å; Q66-T68 PolarHBondContact NE2-OG1 3.37Å; T68-Q70 PolarHBondContact O-N 3.45Å; T68-Q70 VanDerWaalsContact O-N 3.14Å
69L94.7Very high94.1Very high108 Ų10856 Ų5657%0.56529%0.293SS*.  trans-54.4120.7166-70.5163.6000109.9V95 N96 Y97 Q169L69-V95 HydrophobicContact CD2-CG1 3.97Å; L69-N96 WeakPolarHBondContact CA-O 3.33Å; L69-Y97 HydrophobicContact CD2-CD1 4.04Å; L69-Y97 HydrophobicContact CD2-CG 4.43Å; L69-Q169 HydrophobicContact CD2-CB 4.19Å; L69-Q169 HydrophobicContact CD2-CG 4.43Å
70Q93.6Very high94.1Very high25 Ų2552.9 Ų52.912%0.11729%0.285CS..EExtended strand (participates in β ladder)trans-120.8163.9174.570.7-168.3-19.800109.6T68 V95 N96 Y114T68-Q70 PolarHBondContact O-N 3.45Å; T68-Q70 VanDerWaalsContact O-N 3.14Å; Q70-V95 WeakPolarHBondContact O-CA 3.33Å; Q70-N96 WeakPolarHBondContact CG-OD1 3.43Å; Q70-N96 PolarHBondContact N-O 2.89Å; Q70-N96 PolarHBondContact NE2-ND2 2.92Å; Q70-N96 PolarHBondContact O-N 2.96Å; Q70-N96 VanDerWaalsContact O-N 3.16Å; Q70-N96 PolarHBondContact O-OD1 3.35Å; Q70-Y114 PolarHBondContact NE2-OH 2.91Å
71T94.6Very high94.3Very high84 Ų8453 Ų5352%0.51529%0.285SS..EExtended strand (participates in β ladder)trans-126.1109.7179.7-57.90000109.1E93 V94 V95T71-E93 HydrophobicContact CG2-CB 4.06Å; T71-E93 HydrophobicContact CG2-CG 4.46Å; T71-V94 WeakPolarHBondContact CA-O 3.34Å; T71-V95 HydrophobicContact CG2-CG2 4.45Å
72D93.6Very high94.4Very high13 Ų1351.8 Ų51.87%0.0728%0.281CS..EExtended strand (participates in β ladder)trans-86.8127.7174.9-76.3-54000110.2E93 V94 N96 I119 Y120D72-E93 CarbonylContact O-C 3.46Å; D72-E93 WeakPolarHBondContact O-CA 3.36Å; D72-V94 PolarHBondContact N-O 2.89Å; D72-V94 PolarHBondContact O-N 2.93Å; D72-N96 PolarHBondContact OD2-ND2 3.43Å; D72-N96 PolarHBondContact OD2-OD1 3.01Å; D72-I119 HydrophobicContact CB-CG2 4.45Å; D72-I119 WeakPolarHBondContact OD2-CD1 3.17Å; D72-Y120 HydrophobicContact CB-CE2 4.22Å; D72-Y120 PolarHBondContact OD1-OH 3.28Å
73E94.2Very high94.3Very high59 Ų5950.9 Ų50.928%0.27630%0.295SS..EExtended strand (participates in β ladder)trans-113.2113.3-177.2-168.2-169.5178.400110.8K75 R91 E93 Y120E73-K75 HydrophobicContact CG-CG 4.41Å; E73-K75 WeakPolarHBondContact OE1-CE 3.32Å; E73-K75 IonicContact OE1-NZ 3.9Å; E73-K75 PolarHBondContact OE1-NZ 2.83Å; E73-K75 WeakPolarHBondContact OE2-CE 3.4Å; E73-K75 IonicContact OE2-NZ 2.68Å; E73-K75 PolarHBondContact OE2-NZ 3.44Å; E73-R91 HydrophobicContact CG-CG 3.57Å; E73-R91 WeakPolarHBondContact OE1-CD 3.37Å; E73-R91 VanDerWaalsContact OE1-CG 3.25Å; E73-R91 WeakPolarHBondContact OE1-CG 3.29Å; E73-R91 IonicContact OE1-CZ 3.99Å; E73-R91 IonicContact OE1-NE 2.81Å; E73-R91 PolarHBondContact OE1-NE 2.83Å; E73-R91 IonicContact OE1-NH1 2.63Å; E73-R91 IonicContact OE1-NH2 3.67Å; E73-E93 HydrophobicContact CG-CG 4.37Å; E73-Y120 WeakPolarHBondContact O-CE1 3.37Å
74V94Very high94.2Very high6 Ų649.6 Ų49.64%0.03631%0.308CS..EExtended strand (participates in β ladder)trans-99.2125.7172.9-163.40000109.6V77 R91 V92 Y120 I123V74-V77 HydrophobicContact CB-CG2 4.19Å; V74-V77 HydrophobicContact CG1-CG2 3.53Å; V74-R91 CarbonylContact O-C 3.11Å; V74-R91 WeakPolarHBondContact O-CA 3.29Å; V74-V92 HydrophobicContact CB-CB 4.39Å; V74-V92 PolarHBondContact N-O 2.88Å; V74-V92 PolarHBondContact O-N 3.21Å; V74-Y120 HydrophobicContact CB-CD1 4.24Å; V74-Y120 HydrophobicContact CG1-CD1 4.23Å; V74-Y120 HydrophobicContact CG2-CD1 3.49Å; V74-Y120 VanDerWaalsContact CG2-CD1 3.49Å; V74-Y120 HydrophobicContact CG2-CE1 3.94Å; V74-Y120 HydrophobicContact CG2-CG 4.12Å; V74-I123 HydrophobicContact CG2-CD1 3.53Å
75K94.5Very high94.2Very high118 Ų11847.8 Ų47.851%0.51330%0.296SS..EExtended strand (participates in β ladder)trans-108.2146.8-177.6-68.8176.4178.2154.70112.2E73 V77 D90E73-K75 HydrophobicContact CG-CG 4.41Å; E73-K75 WeakPolarHBondContact OE1-CE 3.32Å; E73-K75 IonicContact OE1-NZ 3.9Å; E73-K75 PolarHBondContact OE1-NZ 2.83Å; E73-K75 WeakPolarHBondContact OE2-CE 3.4Å; E73-K75 IonicContact OE2-NZ 2.68Å; E73-K75 PolarHBondContact OE2-NZ 3.44Å; K75-V77 PolarHBondContact O-N 3.25Å; K75-D90 VanDerWaalsContact CA-O 3.31Å; K75-D90 WeakPolarHBondContact CA-O 3.48Å
76N93.8Very high94.2Very high101 Ų10150.7 Ų50.754%0.5431%0.314SS..EExtended strand (participates in β ladder)trans52.454.9171.8-58.5-55.6000113.3P78 F89 D90N76-P78 VanDerWaalsContact O-CD 3.25Å; N76-P78 WeakPolarHBondContact O-CD 3.33Å; N76-F89 CarbonylContact C-O 3.52Å; N76-F89 VanDerWaalsContact CA-O 3.23Å; N76-F89 WeakPolarHBondContact CA-O 3.27Å; N76-F89 PolarHBondContact N-O 3.04Å; N76-D90 PolarHBondContact N-O 2.89Å; N76-D90 VanDerWaalsContact N-O 3.12Å
77V94.7Very high94.2Very high0 Ų047.5 Ų47.50%030%0.299CS..EExtended strand (participates in β ladder)trans-79113.6178.5177.40000109.5V74 K75 Y88 F89 V92 H124 L127V74-V77 HydrophobicContact CB-CG2 4.19Å; V74-V77 HydrophobicContact CG1-CG2 3.53Å; K75-V77 PolarHBondContact O-N 3.25Å; V77-Y88 WeakPolarHBondContact O-CA 3.41Å; V77-F89 HydrophobicContact CB-CB 4.28Å; V77-F89 PolarHBondContact N-O 3.43Å; V77-F89 PolarHBondContact O-N 3.24Å; V77-V92 HydrophobicContact CG2-CG2 4.46Å; V77-H124 WeakPolarHBondContact CG1-ND1 3.32Å; V77-L127 HydrophobicContact CB-CD1 4.27Å; V77-L127 HydrophobicContact CG1-CB 4.38Å; V77-L127 HydrophobicContact CG1-CD1 3.74Å
78P94.6Very high94.2Very high52 Ų5250.9 Ų50.934%0.33831%0.31SS..EExtended strand (participates in β ladder)trans-72.4138.6175.430.1-33.5000110.4N76 Y88 N128N76-P78 VanDerWaalsContact O-CD 3.25Å; N76-P78 WeakPolarHBondContact O-CD 3.33Å; P78-Y88 HydrophobicContact CB-CD1 4.03Å; P78-Y88 HydrophobicContact CB-CE1 3.72Å; P78-N128 PolarHBondContact O-ND2 3.35Å; P78-N128 PolarHBondContact O-OD1 2.95Å
79C95.3Very high94.3Very high1 Ų148 Ų481%0.00729%0.292CS..EExtended strand (participates in β ladder)trans-134.5123.4178.3-138.50000110.7V86 I87 F89 L127 N128 C131C79-V86 WeakPolarHBondContact O-CA 3.25Å; C79-I87 HydrophobicContact CB-CD1 4.26Å; C79-I87 HydrophobicContact CB-CG1 3.66Å; C79-I87 PolarHBondContact N-O 2.86Å; C79-I87 WeakPolarHBondContact O-CG1 3.44Å; C79-I87 PolarHBondContact O-N 2.71Å; C79-F89 HydrophobicContact CB-CD2 4.16Å; C79-F89 HydrophobicContact CB-CE2 3.86Å; C79-L127 PolarHBondContact SG-O 2.95Å; C79-N128 WeakPolarHBondContact CA-OD1 3.46Å; C79-C131 HydrophobicContact CB-CB 3.94Å; C79-C131 WeakPolarHBondContact CB-SG 3.42Å; C79-C131 WeakPolarHBondContact SG-CB 3.46Å; C79-C131 CovalentContact SG-SG 2.03Å; C79-C131 PolarHBondContact SG-SG 2.92Å
80G94.5Very high94.3Very high30 Ų3045.2 Ų45.231%0.30928%0.278SS..EExtended strand (participates in β ladder)trans-90114.6173.600000111.2N128 C131 S132G80-N128 PolarHBondContact N-OD1 3.25Å; G80-C131 CarbonylContact O-C 3.59Å; G80-C131 VanDerWaalsContact O-C 3.22Å; G80-C131 VanDerWaalsContact O-CB 3.22Å; G80-C131 WeakPolarHBondContact O-CB 3.39Å; G80-S132 PolarHBondContact O-N 3.22Å
81T95.9Very high94.4Very high8 Ų848.9 Ų48.95%0.04929%0.291CS..  trans-73.7157.7174.859.90000111.6G83 G84 V85 I87 C131 L136T81-G83 PolarHBondContact O-N 3.3Å; T81-G83 VanDerWaalsContact O-N 3.1Å; T81-G84 PolarHBondContact O-N 2.81Å; T81-V85 PolarHBondContact N-O 3.48Å; T81-V85 PolarHBondContact OG1-N 3.01Å; T81-V85 PolarHBondContact OG1-O 2.95Å; T81-I87 HydrophobicContact CG2-CD1 3.8Å; T81-I87 HydrophobicContact CG2-CG1 4.15Å; T81-I87 HydrophobicContact CG2-CG2 4.33Å; T81-C131 CarbonylContact C-O 3.52Å; T81-C131 VanDerWaalsContact CA-O 3.27Å; T81-C131 WeakPolarHBondContact CA-O 3.42Å; T81-L136 HydrophobicContact CG2-CB 4.28Å; T81-L136 HydrophobicContact CG2-CD1 4.13Å
82S95.5Very high94.5Very high63 Ų6344.9 Ų44.944%0.44127%0.266SS..THydrogen-bonded Turntrans-58.1-24.5176.270.10000113.3G84 C131 S132 H134 T135S82-G84 PolarHBondContact O-N 3.42Å; S82-C131 PolarHBondContact N-O 3.26Å; S82-S132 VanDerWaalsContact CB-O 3.28Å; S82-S132 WeakPolarHBondContact CB-O 3.32Å; S82-H134 WeakPolarHBondContact CB-O 3.44Å; S82-H134 PolarHBondContact N-O 2.92Å; S82-H134 PolarHBondContact OG-O 3.43Å; S82-T135 WeakPolarHBondContact OG-CA 3.34Å; S82-T135 PolarHBondContact OG-N 3.32Å
83G92Very high94.6Very high59 Ų5946.4 Ų46.461%0.60827%0.273SS*.THydrogen-bonded Turntrans-77.61.717400000115.1T81 V85T81-G83 PolarHBondContact O-N 3.3Å; T81-G83 VanDerWaalsContact O-N 3.1Å; G83-V85 VanDerWaalsContact C-N 3.3Å; G83-V85 PolarHBondContact O-N 2.88Å
84G91.4Very high94.7Very high67 Ų6743.6 Ų43.669%0.69126%0.26SS*.SBendtrans79.37.4179.900000114.8T81 S82T81-G84 PolarHBondContact O-N 2.81Å; S82-G84 PolarHBondContact O-N 3.42Å
85V93.3Very high94.8Very high34 Ų3444.6 Ų44.621%0.20627%0.266CS..  trans-89.2127.3175-177.70000109.1T81 G83 I87 L136 I182T81-V85 PolarHBondContact N-O 3.48Å; T81-V85 PolarHBondContact OG1-N 3.01Å; T81-V85 PolarHBondContact OG1-O 2.95Å; G83-V85 VanDerWaalsContact C-N 3.3Å; G83-V85 PolarHBondContact O-N 2.88Å; V85-I87 HydrophobicContact CG1-CG2 4.33Å; V85-L136 HydrophobicContact CB-CD2 4.36Å; V85-L136 HydrophobicContact CG1-CD2 4.19Å; V85-L136 HydrophobicContact CG2-CD2 4.38Å; V85-I182 HydrophobicContact CB-CD1 4.45Å; V85-I182 HydrophobicContact CG1-CD1 3.64Å; V85-I182 HydrophobicContact CG2-CD1 3.89Å
86V94.2Very high94.8Very high71 Ų7139 Ų3943%0.4324%0.241SC..EExtended strand (participates in β ladder)trans-84.6122.7172.2-176.80000109.2C79 Y88C79-V86 WeakPolarHBondContact O-CA 3.25Å; V86-Y88 HydrophobicContact CG1-CE2 3.97Å
87I95Very high94.9Very high0 Ų038 Ų380%023%0.231CC..EExtended strand (participates in β ladder)trans-113.4159.8174.262.3177000110C79 T81 V85 F89 L136 V139 P176 I178C79-I87 HydrophobicContact CB-CD1 4.26Å; C79-I87 HydrophobicContact CB-CG1 3.66Å; C79-I87 PolarHBondContact N-O 2.86Å; C79-I87 WeakPolarHBondContact O-CG1 3.44Å; C79-I87 PolarHBondContact O-N 2.71Å; T81-I87 HydrophobicContact CG2-CD1 3.8Å; T81-I87 HydrophobicContact CG2-CG1 4.15Å; T81-I87 HydrophobicContact CG2-CG2 4.33Å; V85-I87 HydrophobicContact CG1-CG2 4.33Å; I87-F89 HydrophobicContact CD1-CE2 4.29Å; I87-F89 HydrophobicContact CD1-CZ 4.43Å; I87-L136 HydrophobicContact CG2-CD1 3.4Å; I87-V139 HydrophobicContact CD1-CG1 3.82Å; I87-P176 HydrophobicContact CB-CB 4.25Å; I87-P176 HydrophobicContact CD1-CB 3.92Å; I87-P176 HydrophobicContact CD1-CG 4.09Å; I87-P176 HydrophobicContact CG1-CB 4.34Å; I87-I178 HydrophobicContact CG2-CG1 4.09Å
88Y95.5Very high94.9Very high109 Ų10938 Ų3843%0.42723%0.231SC..EExtended strand (participates in β ladder)trans-125.1128.1179.1-65.7-92.8000110.6V77 P78 V86 P176 K177V77-Y88 WeakPolarHBondContact O-CA 3.41Å; P78-Y88 HydrophobicContact CB-CD1 4.03Å; P78-Y88 HydrophobicContact CB-CE1 3.72Å; V86-Y88 HydrophobicContact CG1-CE2 3.97Å; Y88-P176 CarbonylContact O-C 3.56Å; Y88-P176 VanDerWaalsContact O-CA 3.27Å; Y88-P176 WeakPolarHBondContact O-CA 3.21Å; Y88-K177 PolarHBondContact N-O 3.33Å; Y88-K177 VanDerWaalsContact N-O 3.17Å; Y88-K177 PolarHBondContact O-N 3.17Å
89F95.5Very high95Very high0 Ų035.9 Ų35.90%022%0.217CC..EExtended strand (participates in β ladder)trans-84.2120.1166.8-68.1-86000108.9N76 V77 C79 I87 R91 V92 L127 V139 I147 V173 T174 P176N76-F89 CarbonylContact C-O 3.52Å; N76-F89 VanDerWaalsContact CA-O 3.23Å; N76-F89 WeakPolarHBondContact CA-O 3.27Å; N76-F89 PolarHBondContact N-O 3.04Å; V77-F89 HydrophobicContact CB-CB 4.28Å; V77-F89 PolarHBondContact N-O 3.43Å; V77-F89 PolarHBondContact O-N 3.24Å; C79-F89 HydrophobicContact CB-CD2 4.16Å; C79-F89 HydrophobicContact CB-CE2 3.86Å; I87-F89 HydrophobicContact CD1-CE2 4.29Å; I87-F89 HydrophobicContact CD1-CZ 4.43Å; F89-R91 VanDerWaalsContact C-N 3.32Å; F89-R91 PolarHBondContact O-N 3.28Å; F89-V92 HydrophobicContact CB-CG2 4.31Å; F89-L127 HydrophobicContact CD2-CD1 4.02Å; F89-L127 HydrophobicContact CD2-CD2 4.35Å; F89-L127 HydrophobicContact CE2-CD1 4.45Å; F89-L127 HydrophobicContact CE2-CD2 3.98Å; F89-L127 HydrophobicContact CG-CD1 4.39Å; F89-L127 HydrophobicContact CZ-CD2 4.23Å; F89-V139 HydrophobicContact CZ-CG1 4.07Å; F89-I147 HydrophobicContact CE1-CD1 4.24Å; F89-I147 HydrophobicContact CZ-CD1 4.12Å; F89-V173 HydrophobicContact CD1-CG1 3.28Å; F89-V173 HydrophobicContact CE1-CG1 3.52Å; F89-V173 HydrophobicContact CG-CG1 4.18Å; F89-T174 VanDerWaalsContact CD1-O 3.3Å; F89-T174 WeakPolarHBondContact CD1-O 3.27Å; F89-P176 HydrophobicContact CD1-CB 3.91Å; F89-P176 HydrophobicContact CD1-CG 4.41Å; F89-P176 HydrophobicContact CE1-CB 3.78Å; F89-P176 HydrophobicContact CE1-CG 3.84Å; F89-P176 HydrophobicContact CE2-CB 4.43Å; F89-P176 HydrophobicContact CG-CB 4.32Å; F89-P176 HydrophobicContact CZ-CB 4.05Å; F89-P176 HydrophobicContact CZ-CG 4.13Å
90D94.7Very high94.9Very high49 Ų4938.8 Ų38.826%0.26224%0.236SC..EExtended strand (participates in β ladder)trans-62.6-44.2-176.9-84.6-10.4000112K75 N76 K177K75-D90 VanDerWaalsContact CA-O 3.31Å; K75-D90 WeakPolarHBondContact CA-O 3.48Å; N76-D90 PolarHBondContact N-O 2.89Å; N76-D90 VanDerWaalsContact N-O 3.12Å; D90-K177 WeakPolarHBondContact OD1-CD 3.43Å; D90-K177 WeakPolarHBondContact OD1-CE 3.43Å; D90-K177 WeakPolarHBondContact OD1-CG 3.4Å; D90-K177 IonicContact OD1-NZ 2.83Å; D90-K177 PolarHBondContact OD1-NZ 3Å; D90-K177 WeakPolarHBondContact OD2-CE 3.23Å; D90-K177 IonicContact OD2-NZ 3.87Å; D90-K177 PolarHBondContact OD2-NZ 3.44Å
91R95.4Very high94.9Very high103 Ų10344.3 Ų44.339%0.38925%0.254SS..EExtended strand (participates in β ladder)trans-150.9132.4-174.3-169.4-173.4-56-164.7-7.2111.1E73 V74 F89 E93 T174E73-R91 HydrophobicContact CG-CG 3.57Å; E73-R91 WeakPolarHBondContact OE1-CD 3.37Å; E73-R91 VanDerWaalsContact OE1-CG 3.25Å; E73-R91 WeakPolarHBondContact OE1-CG 3.29Å; E73-R91 IonicContact OE1-CZ 3.99Å; E73-R91 IonicContact OE1-NE 2.81Å; E73-R91 PolarHBondContact OE1-NE 2.83Å; E73-R91 IonicContact OE1-NH1 2.63Å; E73-R91 IonicContact OE1-NH2 3.67Å; V74-R91 CarbonylContact O-C 3.11Å; V74-R91 WeakPolarHBondContact O-CA 3.29Å; F89-R91 VanDerWaalsContact C-N 3.32Å; F89-R91 PolarHBondContact O-N 3.28Å; R91-E93 WeakPolarHBondContact CD-OE1 3.36Å; R91-E93 HydrophobicContact CG-CG 3.94Å; R91-E93 IonicContact CZ-OE1 3.56Å; R91-E93 IonicContact NE-OE1 3.97Å; R91-E93 IonicContact NH1-OE1 2.99Å; R91-E93 PolarHBondContact NH1-OE1 3.43Å; R91-T174 HydrophobicContact CB-CG2 3.85Å; R91-T174 PolarHBondContact N-OG1 3.08Å; R91-T174 PolarHBondContact O-N 3.16Å; R91-T174 PolarHBondContact O-OG1 3.37Å
92V96.1Very high94.8Very high0 Ų044.8 Ų44.80%026%0.257CS..EExtended strand (participates in β ladder)trans-121.9120.8165.9-178.10000107.1V74 V77 F89 V94 I123 L127 V171 R172 V173V74-V92 HydrophobicContact CB-CB 4.39Å; V74-V92 PolarHBondContact N-O 2.88Å; V74-V92 PolarHBondContact O-N 3.21Å; V77-V92 HydrophobicContact CG2-CG2 4.46Å; F89-V92 HydrophobicContact CB-CG2 4.31Å; V92-V94 HydrophobicContact CG1-CG2 4.29Å; V92-I123 HydrophobicContact CB-CG2 4.3Å; V92-I123 HydrophobicContact CG1-CD1 4.29Å; V92-I123 HydrophobicContact CG1-CG2 4.04Å; V92-I123 HydrophobicContact CG2-CG2 4.29Å; V92-L127 HydrophobicContact CG2-CD1 3.93Å; V92-V171 HydrophobicContact CG1-CG1 4.22Å; V92-R172 WeakPolarHBondContact CA-O 3.49Å; V92-V173 HydrophobicContact CG1-CG2 4.09Å; V92-V173 HydrophobicContact CG2-CG1 4.32Å; V92-V173 HydrophobicContact CG2-CG2 4.3Å
93E96Very high94.8Very high45 Ų4541.8 Ų41.821%0.2124%0.236CC..EExtended strand (participates in β ladder)trans-106.1124.3177.2-64.1174.9176.300108.6T71 D72 E73 R91 V171 R172T71-E93 HydrophobicContact CG2-CB 4.06Å; T71-E93 HydrophobicContact CG2-CG 4.46Å; D72-E93 CarbonylContact O-C 3.46Å; D72-E93 WeakPolarHBondContact O-CA 3.36Å; E73-E93 HydrophobicContact CG-CG 4.37Å; R91-E93 WeakPolarHBondContact CD-OE1 3.36Å; R91-E93 HydrophobicContact CG-CG 3.94Å; R91-E93 IonicContact CZ-OE1 3.56Å; R91-E93 IonicContact NE-OE1 3.97Å; R91-E93 IonicContact NH1-OE1 2.99Å; R91-E93 PolarHBondContact NH1-OE1 3.43Å; E93-V171 CarbonylContact O-C 3.51Å; E93-V171 WeakPolarHBondContact O-CA 3.34Å; E93-R172 HydrophobicContact CB-CB 4.39Å; E93-R172 PolarHBondContact N-O 3.09Å; E93-R172 PolarHBondContact O-N 2.96Å
94V96.4Very high94.9Very high0 Ų040.4 Ų40.40%021%0.214CC..EExtended strand (participates in β ladder)trans-115.8122.1175.1179.50000108.9T71 D72 V92 I119 I123 I168 V171T71-V94 WeakPolarHBondContact CA-O 3.34Å; D72-V94 PolarHBondContact N-O 2.89Å; D72-V94 PolarHBondContact O-N 2.93Å; V92-V94 HydrophobicContact CG1-CG2 4.29Å; V94-I119 HydrophobicContact CB-CG2 4.15Å; V94-I119 HydrophobicContact CG1-CG2 4.23Å; V94-I119 HydrophobicContact CG2-CG2 4.28Å; V94-I123 HydrophobicContact CG2-CD1 3.54Å; V94-I123 HydrophobicContact CG2-CG1 4.38Å; V94-I168 HydrophobicContact CG1-CD1 4.26Å; V94-I168 HydrophobicContact CG1-CG1 4.1Å; V94-I168 HydrophobicContact CG1-CG2 3.93Å; V94-V171 HydrophobicContact CG1-CG2 4.32Å; V94-V171 HydrophobicContact CG2-CG1 4.17Å; V94-V171 HydrophobicContact CG2-CG2 4.09Å
95V96.3Very high95.1Very high26 Ų2641.4 Ų41.416%0.15820%0.204CC..EExtended strand (participates in β ladder)trans-94114173.9-1750000108.2L69 Q70 T71 Q169 A170L69-V95 HydrophobicContact CD2-CG1 3.97Å; Q70-V95 WeakPolarHBondContact O-CA 3.33Å; T71-V95 HydrophobicContact CG2-CG2 4.45Å; V95-Q169 HydrophobicContact CB-CB 4.38Å; V95-Q169 HydrophobicContact CG1-CB 4.12Å; V95-Q169 PolarHBondContact O-N 2.9Å; V95-A170 HydrophobicContact CB-CB 4.37Å; V95-A170 HydrophobicContact CG2-CB 4.44Å; V95-A170 PolarHBondContact N-O 2.85Å; V95-A170 PolarHBondContact O-N 3.01Å
96N95.3Very high95.2Very high0 Ų040 Ų400%020%0.195CC..EExtended strand (participates in β ladder)trans-124.5159.3-178.657.2-32.6000110.9L69 Q70 D72 D115 I119 L166 Y167L69-N96 WeakPolarHBondContact CA-O 3.33Å; Q70-N96 WeakPolarHBondContact CG-OD1 3.43Å; Q70-N96 PolarHBondContact N-O 2.89Å; Q70-N96 PolarHBondContact NE2-ND2 2.92Å; Q70-N96 PolarHBondContact O-N 2.96Å; Q70-N96 VanDerWaalsContact O-N 3.16Å; Q70-N96 PolarHBondContact O-OD1 3.35Å; D72-N96 PolarHBondContact OD2-ND2 3.43Å; D72-N96 PolarHBondContact OD2-OD1 3.01Å; N96-D115 PolarHBondContact ND2-OD1 3.43Å; N96-D115 VanDerWaalsContact ND2-OD1 3.12Å; N96-I119 HydrophobicContact CB-CD1 4.17Å; N96-I119 WeakPolarHBondContact ND2-CD1 3.41Å; N96-L166 HydrophobicContact CB-CD1 4.31Å; N96-Y167 CarbonylContact C-O 3.59Å; N96-Y167 WeakPolarHBondContact CA-O 3.5Å
97Y94.9Very high95.2Very high82 Ų8236.8 Ų36.832%0.32218%0.176SC..EExtended strand (participates in β ladder)trans-141149.1164.373.8-87.4000110L69 Y167L69-Y97 HydrophobicContact CD2-CD1 4.04Å; L69-Y97 HydrophobicContact CD2-CG 4.43Å; Y97-Y167 HydrophobicContact CD2-CD2 4.28Å; Y97-Y167 HydrophobicContact CE1-CD2 4.2Å; Y97-Y167 HydrophobicContact CE1-CG 4.05Å; Y97-Y167 AromaticContact CE2-CD2 3.47Å; Y97-Y167 HydrophobicContact CE2-CD2 3.47Å; Y97-Y167 VanDerWaalsContact CE2-CD2 3.47Å; Y97-Y167 HydrophobicContact CE2-CE2 4.21Å; Y97-Y167 HydrophobicContact CE2-CG 4.16Å; Y97-Y167 AromaticContact CZ-CD2 3.41Å; Y97-Y167 VanDerWaalsContact CZ-CD2 3.41Å; Y97-Y167 AromaticContact CZ-CG 3.64Å; Y97-Y167 PolarHBondContact N-O 3.45Å; Y97-Y167 PolarHBondContact O-N 3.38Å; Y97-Y167 WeakPolarHBondContact OH-CD2 3.19Å
98L95.5Very high95.2Very high0 Ų043.3 Ų43.30%020%0.204CC..EExtended strand (participates in β ladder)trans-107.7123.1-179.7175.258.5000109.7V65 V103 I106 Y114 L166V65-L98 HydrophobicContact CG1-CD2 3.68Å; L98-V103 HydrophobicContact CD2-CB 4.43Å; L98-V103 HydrophobicContact CD2-CG2 3.79Å; L98-V103 HydrophobicContact CG-CG2 3.91Å; L98-I106 HydrophobicContact CD1-CD1 3.26Å; L98-I106 HydrophobicContact CD1-CG1 4.4Å; L98-Y114 HydrophobicContact CD2-CE1 3.81Å; L98-L166 HydrophobicContact CB-CD1 4.33Å
99A95.5Very high95.1Very high6 Ų643.3 Ų43.35%0.0521%0.211CC..  trans-65.1129.7176.400000110.8E101 S102 V103 G165 Y167A99-E101 HydrophobicContact CB-CG 4.32Å; A99-E101 WeakPolarHBondContact CB-OE1 3.43Å; A99-E101 PolarHBondContact O-N 2.91Å; A99-E101 VanDerWaalsContact O-N 3.16Å; A99-S102 PolarHBondContact O-N 3.39Å; A99-V103 PolarHBondContact O-N 2.78Å; A99-G165 WeakPolarHBondContact CB-O 3.27Å; A99-G165 PolarHBondContact N-O 2.83Å; A99-Y167 HydrophobicContact CB-CE2 4.22Å
100P93.7Very high95Very high63 Ų6346.2 Ų46.241%0.40922%0.223SC..G310 helixtrans-54.8-36.2-175.2-26.633.8000114.1I67 S102 V103I67-P100 HydrophobicContact CB-CG 4.49Å; I67-P100 HydrophobicContact CD1-CB 4.41Å; I67-P100 HydrophobicContact CD1-CG 3.82Å; P100-S102 VanDerWaalsContact C-N 3.3Å; P100-S102 PolarHBondContact O-N 3.44Å; P100-V103 WeakPolarHBondContact O-CG2 3.25Å; P100-V103 PolarHBondContact O-N 3.46Å
101E94.4Very high94.9Very high145 Ų14547.8 Ų47.868%0.67823%0.234SC*.G310 helixtrans-65.9-28.8179.359.4-87.3-159.400113.6A99A99-E101 HydrophobicContact CB-CG 4.32Å; A99-E101 WeakPolarHBondContact CB-OE1 3.43Å; A99-E101 PolarHBondContact O-N 2.91Å; A99-E101 VanDerWaalsContact O-N 3.16Å
102S95Very high94.6Very high18 Ų1843.6 Ų43.613%0.12622%0.222CC..G310 helixtrans-94.5-3.7-176.5-65.40000113.6A99 P100 H104 D105 I106 P164 G165A99-S102 PolarHBondContact O-N 3.39Å; P100-S102 VanDerWaalsContact C-N 3.3Å; P100-S102 PolarHBondContact O-N 3.44Å; S102-H104 VanDerWaalsContact C-N 3.32Å; S102-H104 PolarHBondContact O-N 2.97Å; S102-D105 PolarHBondContact O-N 3.21Å; S102-I106 PolarHBondContact O-N 3.28Å; S102-P164 WeakPolarHBondContact CB-O 3.33Å; S102-P164 PolarHBondContact OG-O 3.28Å; S102-G165 WeakPolarHBondContact OG-CA 3.16Å
103V95.2Very high94.4Very high0 Ų048.7 Ų48.70%025%0.249CC..Hα-helixtrans-57.2-45-176.2174.40000111.4V34 V36 T47 V65 I67 L98 A99 P100 D105 V107V34-V103 HydrophobicContact CB-CG1 4.39Å; V34-V103 HydrophobicContact CB-CG2 4.37Å; V34-V103 HydrophobicContact CG1-CB 4.42Å; V34-V103 HydrophobicContact CG1-CG1 4.07Å; V34-V103 HydrophobicContact CG1-CG2 4.45Å; V36-V103 HydrophobicContact CG2-CG1 3.55Å; T47-V103 HydrophobicContact CG2-CG1 4.4Å; V65-V103 HydrophobicContact CB-CG1 4.1Å; V65-V103 HydrophobicContact CG1-CG1 4.15Å; V65-V103 HydrophobicContact CG2-CG1 4.34Å; I67-V103 HydrophobicContact CG2-CG2 3.64Å; L98-V103 HydrophobicContact CD2-CB 4.43Å; L98-V103 HydrophobicContact CD2-CG2 3.79Å; L98-V103 HydrophobicContact CG-CG2 3.91Å; A99-V103 PolarHBondContact O-N 2.78Å; P100-V103 WeakPolarHBondContact O-CG2 3.25Å; P100-V103 PolarHBondContact O-N 3.46Å; V103-D105 PolarHBondContact O-N 2.92Å; V103-V107 HydrophobicContact CG1-CG2 4.31Å; V103-V107 WeakPolarHBondContact O-CB 3.42Å; V103-V107 WeakPolarHBondContact O-CG2 3.46Å; V103-V107 PolarHBondContact O-N 3.45Å
104H94.8Very high94.3Very high31 Ų3146.7 Ų46.714%0.14424%0.24CC..Hα-helixtrans-60.5-48.3-179.5-179.876.4000111.8L44 S45 T47 S102 K108L44-H104 PolarHBondContact O-CE1 2.95Å; L44-H104 PolarHBondContact O-ND1 2.72Å; L44-H104 VanDerWaalsContact O-ND1 3.14Å; S45-H104 VanDerWaalsContact CA-CE1 3.46Å; S45-H104 WeakPolarHBondContact CA-CE1 3.45Å; T47-H104 HydrophobicContact CG2-CB 4.02Å; S102-H104 VanDerWaalsContact C-N 3.32Å; S102-H104 PolarHBondContact O-N 2.97Å; H104-K108 VanDerWaalsContact O-CB 3.23Å; H104-K108 WeakPolarHBondContact O-CB 3.46Å; H104-K108 PolarHBondContact O-N 2.97Å
105D94.8Very high94.1Very high88 Ų8847.8 Ų47.847%0.47125%0.246SC..Hα-helixtrans-69.1-40.4-175.3-70.7-25.1000112S102 V103 K108 N109S102-D105 PolarHBondContact O-N 3.21Å; V103-D105 PolarHBondContact O-N 2.92Å; D105-K108 PolarHBondContact O-N 3.47Å; D105-N109 WeakPolarHBondContact O-CB 3.48Å; D105-N109 VanDerWaalsContact O-CG 3.3Å; D105-N109 PolarHBondContact O-N 2.65Å; D105-N109 PolarHBondContact O-ND2 3.35Å
106I95.1Very high93.9Very high4 Ų453.2 Ų53.22%0.02127%0.267CS..Hα-helixtrans-66.7-44.8178.2-73.8170000110.5L98 S102 K108 N109 Y110 Y114 A163 L166L98-I106 HydrophobicContact CD1-CD1 3.26Å; L98-I106 HydrophobicContact CD1-CG1 4.4Å; S102-I106 PolarHBondContact O-N 3.28Å; I106-K108 VanDerWaalsContact C-N 3.3Å; I106-K108 PolarHBondContact O-N 3.45Å; I106-N109 PolarHBondContact O-N 2.89Å; I106-Y110 HydrophobicContact CG2-CD2 4.46Å; I106-Y110 WeakPolarHBondContact O-CB 3.36Å; I106-Y110 PolarHBondContact O-N 2.89Å; I106-Y114 HydrophobicContact CG2-CD1 3.84Å; I106-Y114 HydrophobicContact CG2-CD2 4.04Å; I106-Y114 HydrophobicContact CG2-CG 3.58Å; I106-A163 HydrophobicContact CD1-CB 4.2Å; I106-A163 HydrophobicContact CG1-CB 4.18Å; I106-L166 HydrophobicContact CD1-CB 4.1Å
107V95Very high93.8Very high4 Ų456.4 Ų56.42%0.02429%0.287CS..Hα-helixtrans-67.4-33.5177.9175.70000111.8V36 Y38 L43 V65 V103 T111V36-V107 HydrophobicContact CG1-CG1 4.02Å; V36-V107 HydrophobicContact CG2-CG2 4.37Å; Y38-V107 WeakPolarHBondContact OH-CG1 3.29Å; L43-V107 HydrophobicContact CD1-CG1 4.43Å; L43-V107 HydrophobicContact CD2-CG1 4.4Å; V65-V107 HydrophobicContact CG2-CG2 3.97Å; V103-V107 HydrophobicContact CG1-CG2 4.31Å; V103-V107 WeakPolarHBondContact O-CB 3.42Å; V103-V107 WeakPolarHBondContact O-CG2 3.46Å; V103-V107 PolarHBondContact O-N 3.45Å; V107-T111 WeakPolarHBondContact O-CA 3.37Å; V107-T111 PolarHBondContact O-N 2.94Å
108K94.2Very high93.7Very high136 Ų13652.8 Ų52.859%0.59127%0.273SS*.Hα-helixtrans-65.7-42.7175.5-173.4177.8176.7-177.30112.4L43 H104 D105 I106L43-K108 HydrophobicContact CD2-CB 3.66Å; L43-K108 HydrophobicContact CD2-CG 4.24Å; H104-K108 VanDerWaalsContact O-CB 3.23Å; H104-K108 WeakPolarHBondContact O-CB 3.46Å; H104-K108 PolarHBondContact O-N 2.97Å; D105-K108 PolarHBondContact O-N 3.47Å; I106-K108 VanDerWaalsContact C-N 3.3Å; I106-K108 PolarHBondContact O-N 3.45Å
109N94.1Very high93.7Very high110 Ų11052.9 Ų52.959%0.58827%0.273SS*.Hα-helixtrans-86.3-35.4-174.2-67.4-21.3000113D105 I106D105-N109 WeakPolarHBondContact O-CB 3.48Å; D105-N109 VanDerWaalsContact O-CG 3.3Å; D105-N109 PolarHBondContact O-N 2.65Å; D105-N109 PolarHBondContact O-ND2 3.35Å; I106-N109 PolarHBondContact O-N 2.89Å
110Y93.9Very high93.5Very high60 Ų6055.8 Ų55.824%0.23528%0.283CS..Hα-helixtrans-121.63.5-171.3-58.5-75.3000114.2I106 L118 M162 A163I106-Y110 HydrophobicContact CG2-CD2 4.46Å; I106-Y110 WeakPolarHBondContact O-CB 3.36Å; I106-Y110 PolarHBondContact O-N 2.89Å; Y110-L118 HydrophobicContact CD1-CD1 4.37Å; Y110-L118 HydrophobicContact CD1-CD2 3.88Å; Y110-L118 HydrophobicContact CD1-CG 4.08Å; Y110-L118 HydrophobicContact CD2-CD1 3.83Å; Y110-L118 HydrophobicContact CD2-CD2 4.43Å; Y110-L118 HydrophobicContact CD2-CG 4.42Å; Y110-L118 HydrophobicContact CE1-CD2 3.62Å; Y110-L118 HydrophobicContact CE1-CG 4.32Å; Y110-L118 HydrophobicContact CE2-CD1 4.14Å; Y110-L118 HydrophobicContact CE2-CD2 4.19Å; Y110-L118 HydrophobicContact CG-CD1 3.95Å; Y110-L118 HydrophobicContact CG-CD2 4.29Å; Y110-L118 HydrophobicContact CG-CG 4.14Å; Y110-M162 WeakPolarHBondContact CE2-O 3.06Å; Y110-M162 PolarHBondContact OH-O 3.45Å; Y110-A163 HydrophobicContact CE2-CB 4.01Å
111T92.2Very high93.5Very high82 Ų8257.1 Ų57.150%0.50329%0.287SS..  trans68.1177.7-173.4800000113.5V107 D113V107-T111 WeakPolarHBondContact O-CA 3.37Å; V107-T111 PolarHBondContact O-N 2.94Å; T111-D113 PolarHBondContact O-N 2.91Å
112A89.1Confident93.5Very high16 Ų1652.1 Ų52.113%0.13226%0.263CS..THydrogen-bonded Turntrans-64.3-26.6178.500000112.9K63 Y114K63-A112 HydrophobicContact CD-CB 3.65Å; A112-Y114 VanDerWaalsContact C-N 3.26Å; A112-Y114 PolarHBondContact O-N 3.31Å
113D91.9Very high93.5Very high107 Ų10751.3 Ų51.357%0.57226%0.257SS*.THydrogen-bonded Turntrans-9543.6-178.9-53.9-33.1000110.9T111 D115 K116T111-D113 PolarHBondContact O-N 2.91Å; D113-D115 PolarHBondContact O-N 2.93Å; D113-K116 PolarHBondContact O-N 2.95Å
114Y93.2Very high93.4Very high3 Ų354.2 Ų54.21%0.01227%0.271CS..Hα-helixtrans-61.5-29.5-173.166-93.9000112.5V65 Q70 L98 I106 A112 K116 T117 L118 L166V65-Y114 HydrophobicContact CG1-CE1 4.15Å; Q70-Y114 PolarHBondContact NE2-OH 2.91Å; L98-Y114 HydrophobicContact CD2-CE1 3.81Å; I106-Y114 HydrophobicContact CG2-CD1 3.84Å; I106-Y114 HydrophobicContact CG2-CD2 4.04Å; I106-Y114 HydrophobicContact CG2-CG 3.58Å; A112-Y114 VanDerWaalsContact C-N 3.26Å; A112-Y114 PolarHBondContact O-N 3.31Å; Y114-K116 VanDerWaalsContact C-N 3.25Å; Y114-K116 PolarHBondContact O-N 3.31Å; Y114-T117 PolarHBondContact O-N 2.94Å; Y114-T117 PolarHBondContact O-OG1 2.91Å; Y114-L118 HydrophobicContact CD2-CD1 4.17Å; Y114-L118 WeakPolarHBondContact O-CB 3.44Å; Y114-L118 PolarHBondContact O-N 3.26Å; Y114-L166 HydrophobicContact CD2-CD2 3.82Å; Y114-L166 HydrophobicContact CE2-CD1 3.69Å; Y114-L166 HydrophobicContact CE2-CD2 3.7Å; Y114-L166 HydrophobicContact CE2-CG 4.36Å
115D92.8Very high93.4Very high23 Ų2357.3 Ų57.312%0.12329%0.285CS..Hα-helixtrans-56.1-43.7-179.9-57.3-54.4000110N96 D113 T117 L118 I119 Y120N96-D115 PolarHBondContact ND2-OD1 3.43Å; N96-D115 VanDerWaalsContact ND2-OD1 3.12Å; D113-D115 PolarHBondContact O-N 2.93Å; D115-T117 VanDerWaalsContact C-N 3.29Å; D115-T117 PolarHBondContact O-N 3.36Å; D115-L118 PolarHBondContact O-N 3.44Å; D115-I119 HydrophobicContact CB-CD1 4.33Å; D115-I119 WeakPolarHBondContact O-CA 3.42Å; D115-I119 VanDerWaalsContact O-CB 3.3Å; D115-I119 WeakPolarHBondContact O-CB 3.21Å; D115-I119 PolarHBondContact O-N 3.32Å; D115-Y120 VanDerWaalsContact C-CD2 3.46Å; D115-Y120 HydrophobicContact CB-CD2 4.21Å; D115-Y120 HydrophobicContact CB-CE2 3.73Å; D115-Y120 VanDerWaalsContact O-CD2 3.29Å; D115-Y120 WeakPolarHBondContact O-CD2 3.34Å; D115-Y120 PolarHBondContact O-N 3.02Å; D115-Y120 VanDerWaalsContact O-N 3.12Å
116K92.3Very high93.4Very high140 Ų14053.9 Ų53.961%0.60927%0.266SS*.Iπ-helixtrans-54.3-45.2-179.3-170.1173.4-178.4177.40112.4D113 Y114 Y120 N121D113-K116 PolarHBondContact O-N 2.95Å; Y114-K116 VanDerWaalsContact C-N 3.25Å; Y114-K116 PolarHBondContact O-N 3.31Å; K116-Y120 VanDerWaalsContact CA-CD2 3.44Å; K116-Y120 HydrophobicContact CB-CD2 4.47Å; K116-N121 VanDerWaalsContact O-CG 3.26Å; K116-N121 PolarHBondContact O-N 2.75Å; K116-N121 VanDerWaalsContact O-N 3.13Å; K116-N121 PolarHBondContact O-ND2 2.9Å
117T91.5Very high93.4Very high67 Ų6753.7 Ų53.741%0.41127%0.265SS..Iπ-helixtrans-81.4-42.1-176.948.60000112.7Y114 D115Y114-T117 PolarHBondContact O-N 2.94Å; Y114-T117 PolarHBondContact O-OG1 2.91Å; D115-T117 VanDerWaalsContact C-N 3.29Å; D115-T117 PolarHBondContact O-N 3.36Å
118L94.2Very high93.3Very high6 Ų656.3 Ų56.33%0.03128%0.279CS..Iπ-helixtrans-87.9-29.4-170.9-68.5177.5000113.3Y110 Y114 D115 K122 L159 M162 A163 L166Y110-L118 HydrophobicContact CD1-CD1 4.37Å; Y110-L118 HydrophobicContact CD1-CD2 3.88Å; Y110-L118 HydrophobicContact CD1-CG 4.08Å; Y110-L118 HydrophobicContact CD2-CD1 3.83Å; Y110-L118 HydrophobicContact CD2-CD2 4.43Å; Y110-L118 HydrophobicContact CD2-CG 4.42Å; Y110-L118 HydrophobicContact CE1-CD2 3.62Å; Y110-L118 HydrophobicContact CE1-CG 4.32Å; Y110-L118 HydrophobicContact CE2-CD1 4.14Å; Y110-L118 HydrophobicContact CE2-CD2 4.19Å; Y110-L118 HydrophobicContact CG-CD1 3.95Å; Y110-L118 HydrophobicContact CG-CD2 4.29Å; Y110-L118 HydrophobicContact CG-CG 4.14Å; Y114-L118 HydrophobicContact CD2-CD1 4.17Å; Y114-L118 WeakPolarHBondContact O-CB 3.44Å; Y114-L118 PolarHBondContact O-N 3.26Å; D115-L118 PolarHBondContact O-N 3.44Å; L118-K122 VanDerWaalsContact O-CB 3.27Å; L118-K122 WeakPolarHBondContact O-CB 3.31Å; L118-L159 HydrophobicContact CB-CD2 3.98Å; L118-L159 HydrophobicContact CD1-CD2 4.38Å; L118-L159 HydrophobicContact CD2-CD2 4.41Å; L118-M162 HydrophobicContact CD2-CB 4.43Å; L118-M162 HydrophobicContact CD2-CE 4.39Å; L118-A163 HydrophobicContact CD1-CB 3.59Å; L118-A163 HydrophobicContact CD2-CB 4.41Å; L118-L166 HydrophobicContact CB-CD2 4.38Å; L118-L166 HydrophobicContact CD1-CD2 3.96Å
119I94.1Very high93.4Very high1 Ų154.2 Ų54.21%0.00527%0.271CS..Iπ-helixtrans-111.4-64.7-174.5-58176.4000110D72 V94 N96 D115 N121 K122 I123 L166D72-I119 HydrophobicContact CB-CG2 4.45Å; D72-I119 WeakPolarHBondContact OD2-CD1 3.17Å; V94-I119 HydrophobicContact CB-CG2 4.15Å; V94-I119 HydrophobicContact CG1-CG2 4.23Å; V94-I119 HydrophobicContact CG2-CG2 4.28Å; N96-I119 HydrophobicContact CB-CD1 4.17Å; N96-I119 WeakPolarHBondContact ND2-CD1 3.41Å; D115-I119 HydrophobicContact CB-CD1 4.33Å; D115-I119 WeakPolarHBondContact O-CA 3.42Å; D115-I119 VanDerWaalsContact O-CB 3.3Å; D115-I119 WeakPolarHBondContact O-CB 3.21Å; D115-I119 PolarHBondContact O-N 3.32Å; I119-N121 PolarHBondContact O-N 3.38Å; I119-K122 PolarHBondContact O-N 3.44Å; I119-K122 VanDerWaalsContact O-N 3.13Å; I119-I123 HydrophobicContact CG2-CD1 3.59Å; I119-I123 HydrophobicContact CG2-CG1 4.45Å; I119-I123 VanDerWaalsContact O-CG1 3.3Å; I119-I123 WeakPolarHBondContact O-CG1 3.45Å; I119-I123 PolarHBondContact O-N 3.22Å; I119-L166 HydrophobicContact CD1-CD2 4.36Å
120Y92.9Very high93.4Very high67 Ų6749.5 Ų49.526%0.26325%0.246SC..Iπ-helixtrans-58.9-54.7-171.8-64.9-101.2000111.9D72 E73 V74 D115 K116 K122 I123 H124D72-Y120 HydrophobicContact CB-CE2 4.22Å; D72-Y120 PolarHBondContact OD1-OH 3.28Å; E73-Y120 WeakPolarHBondContact O-CE1 3.37Å; V74-Y120 HydrophobicContact CB-CD1 4.24Å; V74-Y120 HydrophobicContact CG1-CD1 4.23Å; V74-Y120 HydrophobicContact CG2-CD1 3.49Å; V74-Y120 VanDerWaalsContact CG2-CD1 3.49Å; V74-Y120 HydrophobicContact CG2-CE1 3.94Å; V74-Y120 HydrophobicContact CG2-CG 4.12Å; D115-Y120 VanDerWaalsContact C-CD2 3.46Å; D115-Y120 HydrophobicContact CB-CD2 4.21Å; D115-Y120 HydrophobicContact CB-CE2 3.73Å; D115-Y120 VanDerWaalsContact O-CD2 3.29Å; D115-Y120 WeakPolarHBondContact O-CD2 3.34Å; D115-Y120 PolarHBondContact O-N 3.02Å; D115-Y120 VanDerWaalsContact O-N 3.12Å; K116-Y120 VanDerWaalsContact CA-CD2 3.44Å; K116-Y120 HydrophobicContact CB-CD2 4.47Å; Y120-K122 PolarHBondContact O-N 2.99Å; Y120-I123 PolarHBondContact O-N 2.9Å; Y120-H124 PolarHBondContact O-CD2 2.89Å; Y120-H124 PolarHBondContact O-N 3.37Å
121N92.9Very high93.5Very high91 Ų9146.7 Ų46.749%0.48724%0.235SC..Hα-helixtrans-62-34.3179.6-70.5-15.8000112.3K116 I119 H125K116-N121 VanDerWaalsContact O-CG 3.26Å; K116-N121 PolarHBondContact O-N 2.75Å; K116-N121 VanDerWaalsContact O-N 3.13Å; K116-N121 PolarHBondContact O-ND2 2.9Å; I119-N121 PolarHBondContact O-N 3.38Å; N121-H125 PolarHBondContact O-N 3.46Å
122K93.9Very high93.6Very high41 Ų4145.5 Ų45.518%0.17823%0.23CC..Hα-helixtrans-73.2-40.5-177.9-168.960.6166.3165.60111.9L118 I119 Y120 H124 H125 E126 L155 D158L118-K122 VanDerWaalsContact O-CB 3.27Å; L118-K122 WeakPolarHBondContact O-CB 3.31Å; I119-K122 PolarHBondContact O-N 3.44Å; I119-K122 VanDerWaalsContact O-N 3.13Å; Y120-K122 PolarHBondContact O-N 2.99Å; K122-H124 VanDerWaalsContact C-N 3.3Å; K122-H124 PolarHBondContact O-N 3.49Å; K122-H125 WeakPolarHBondContact O-CB 3.38Å; K122-H125 PolarHBondContact O-N 3.48Å; K122-E126 HydrophobicContact CD-CG 4.25Å; K122-E126 WeakPolarHBondContact CE-OE1 3.46Å; K122-E126 HydrophobicContact CG-CG 4.23Å; K122-E126 IonicContact NZ-OE1 2.67Å; K122-E126 PolarHBondContact NZ-OE1 3.24Å; K122-E126 WeakPolarHBondContact O-CG 3.4Å; K122-E126 PolarHBondContact O-N 3.19Å; K122-L155 HydrophobicContact CB-CD2 3.82Å; K122-L155 HydrophobicContact CG-CD2 3.35Å; K122-D158 WeakPolarHBondContact CE-OD2 3.38Å; K122-D158 IonicContact NZ-OD2 2.66Å; K122-D158 PolarHBondContact NZ-OD2 3.34Å
123I95.2Very high94Very high0 Ų050.2 Ų50.20%025%0.251CS..Hα-helixtrans-56.1-45.3172.8-70.6161000111V74 V92 V94 I119 Y120 H125 E126 L127 L155V74-I123 HydrophobicContact CG2-CD1 3.53Å; V92-I123 HydrophobicContact CB-CG2 4.3Å; V92-I123 HydrophobicContact CG1-CD1 4.29Å; V92-I123 HydrophobicContact CG1-CG2 4.04Å; V92-I123 HydrophobicContact CG2-CG2 4.29Å; V94-I123 HydrophobicContact CG2-CD1 3.54Å; V94-I123 HydrophobicContact CG2-CG1 4.38Å; I119-I123 HydrophobicContact CG2-CD1 3.59Å; I119-I123 HydrophobicContact CG2-CG1 4.45Å; I119-I123 VanDerWaalsContact O-CG1 3.3Å; I119-I123 WeakPolarHBondContact O-CG1 3.45Å; I119-I123 PolarHBondContact O-N 3.22Å; Y120-I123 PolarHBondContact O-N 2.9Å; I123-H125 VanDerWaalsContact C-N 3.29Å; I123-H125 PolarHBondContact O-N 2.95Å; I123-E126 PolarHBondContact O-N 3.33Å; I123-L127 HydrophobicContact CG2-CD1 3.81Å; I123-L127 HydrophobicContact CG2-CG 4.43Å; I123-L127 WeakPolarHBondContact O-CB 3.45Å; I123-L127 PolarHBondContact O-N 2.88Å; I123-L155 HydrophobicContact CG1-CD1 3.91Å; I123-L155 HydrophobicContact CG1-CD2 4.39Å
124H94.1Very high94.2Very high61 Ų6146.9 Ų46.928%0.28223%0.233SC..Hα-helixtrans-58.9-40.8176-79.3-77.1000112.3V77 Y120 K122 N128V77-H124 WeakPolarHBondContact CG1-ND1 3.32Å; Y120-H124 PolarHBondContact O-CD2 2.89Å; Y120-H124 PolarHBondContact O-N 3.37Å; K122-H124 VanDerWaalsContact C-N 3.3Å; K122-H124 PolarHBondContact O-N 3.49Å; H124-N128 WeakPolarHBondContact O-CB 3.5Å; H124-N128 PolarHBondContact O-N 3.48Å; H124-N128 PolarHBondContact O-ND2 2.86Å
125H94.4Very high94.3Very high97 Ų9749.3 Ų49.345%0.44925%0.248SC..Hα-helixtrans-69-51178.8-174.677.4000111.8N121 K122 I123 N128 Q129N121-H125 PolarHBondContact O-N 3.46Å; K122-H125 WeakPolarHBondContact O-CB 3.38Å; K122-H125 PolarHBondContact O-N 3.48Å; I123-H125 VanDerWaalsContact C-N 3.29Å; I123-H125 PolarHBondContact O-N 2.95Å; H125-N128 PolarHBondContact O-N 3.41Å; H125-Q129 WeakPolarHBondContact O-CG 3.44Å; H125-Q129 PolarHBondContact O-N 2.87Å
126E94.6Very high94.3Very high16 Ų1648.8 Ų48.88%0.07525%0.245CC..Hα-helixtrans-66.9-40.1-175.3-65.3-48.7140.600113K122 I123 N128 Q129 F130 L151 T154 L155K122-E126 HydrophobicContact CD-CG 4.25Å; K122-E126 WeakPolarHBondContact CE-OE1 3.46Å; K122-E126 HydrophobicContact CG-CG 4.23Å; K122-E126 IonicContact NZ-OE1 2.67Å; K122-E126 PolarHBondContact NZ-OE1 3.24Å; K122-E126 WeakPolarHBondContact O-CG 3.4Å; K122-E126 PolarHBondContact O-N 3.19Å; I123-E126 PolarHBondContact O-N 3.33Å; E126-N128 PolarHBondContact O-N 3.48Å; E126-Q129 PolarHBondContact O-N 3.4Å; E126-F130 WeakPolarHBondContact O-CB 3.2Å; E126-F130 PolarHBondContact O-N 3.47Å; E126-L151 HydrophobicContact CB-CD2 3.75Å; E126-T154 VanDerWaalsContact CD-CG2 3.44Å; E126-T154 HydrophobicContact CG-CG2 3.95Å; E126-T154 VanDerWaalsContact OE2-CG2 3.27Å; E126-T154 WeakPolarHBondContact OE2-CG2 3.21Å; E126-L155 HydrophobicContact CG-CD2 4.39Å
127L94.9Very high94.3Very high0 Ų043.8 Ų43.80%022%0.223CC..Hα-helixtrans-61.9-44.9173.8-82.5174.8000111.1V77 C79 F89 V92 I123 Q129 F130 C131 I147 L151V77-L127 HydrophobicContact CB-CD1 4.27Å; V77-L127 HydrophobicContact CG1-CB 4.38Å; V77-L127 HydrophobicContact CG1-CD1 3.74Å; C79-L127 PolarHBondContact SG-O 2.95Å; F89-L127 HydrophobicContact CD2-CD1 4.02Å; F89-L127 HydrophobicContact CD2-CD2 4.35Å; F89-L127 HydrophobicContact CE2-CD1 4.45Å; F89-L127 HydrophobicContact CE2-CD2 3.98Å; F89-L127 HydrophobicContact CG-CD1 4.39Å; F89-L127 HydrophobicContact CZ-CD2 4.23Å; V92-L127 HydrophobicContact CG2-CD1 3.93Å; I123-L127 HydrophobicContact CG2-CD1 3.81Å; I123-L127 HydrophobicContact CG2-CG 4.43Å; I123-L127 WeakPolarHBondContact O-CB 3.45Å; I123-L127 PolarHBondContact O-N 2.88Å; L127-Q129 VanDerWaalsContact C-N 3.33Å; L127-Q129 PolarHBondContact O-N 2.97Å; L127-F130 WeakPolarHBondContact O-CB 3.34Å; L127-F130 PolarHBondContact O-N 3.25Å; L127-C131 PolarHBondContact O-N 2.93Å; L127-C131 PolarHBondContact O-SG 3.42Å; L127-C131 VanDerWaalsContact O-SG 3.39Å; L127-I147 HydrophobicContact CD2-CG2 3.82Å; L127-L151 HydrophobicContact CD2-CD1 3.88Å; L127-L151 HydrophobicContact CD2-CD2 4.26Å; L127-L151 HydrophobicContact CD2-CG 4.38Å; L127-L151 HydrophobicContact CG-CD1 4.1Å; L127-L151 HydrophobicContact CG-CD2 4.09Å
128N94Very high94.4Very high58 Ų5843.3 Ų43.331%0.3122%0.217SC..Hα-helixtrans-62.5-39.2178.1-84.8-55.5000112.5P78 C79 G80 H124 H125 E126 S132P78-N128 PolarHBondContact O-ND2 3.35Å; P78-N128 PolarHBondContact O-OD1 2.95Å; C79-N128 WeakPolarHBondContact CA-OD1 3.46Å; G80-N128 PolarHBondContact N-OD1 3.25Å; H124-N128 WeakPolarHBondContact O-CB 3.5Å; H124-N128 PolarHBondContact O-N 3.48Å; H124-N128 PolarHBondContact O-ND2 2.86Å; H125-N128 PolarHBondContact O-N 3.41Å; E126-N128 PolarHBondContact O-N 3.48Å; N128-S132 VanDerWaalsContact O-CB 3.3Å; N128-S132 WeakPolarHBondContact O-CB 3.35Å; N128-S132 PolarHBondContact O-N 2.88Å; N128-S132 PolarHBondContact O-OG 2.93Å
129Q94.6Very high94.4Very high93 Ų9343 Ų4344%0.43522%0.215SC..Hα-helixtrans-60.7-48.3172.8-70-61.7-30.800110.9H125 E126 L127 C131 S132 I133H125-Q129 WeakPolarHBondContact O-CG 3.44Å; H125-Q129 PolarHBondContact O-N 2.87Å; E126-Q129 PolarHBondContact O-N 3.4Å; L127-Q129 VanDerWaalsContact C-N 3.33Å; L127-Q129 PolarHBondContact O-N 2.97Å; Q129-C131 PolarHBondContact O-N 3.38Å; Q129-S132 PolarHBondContact O-N 2.85Å; Q129-S132 PolarHBondContact O-OG 3.48Å; Q129-I133 PolarHBondContact O-N 3.5Å
130F94.8Very high94.3Very high11 Ų1145.2 Ų45.25%0.04822%0.224CC..Hα-helixtrans-59.8-44.3178.9-175-91000112.9E126 L127 I133 H134 V139 L143 I147 F150E126-F130 WeakPolarHBondContact O-CB 3.2Å; E126-F130 PolarHBondContact O-N 3.47Å; L127-F130 WeakPolarHBondContact O-CB 3.34Å; L127-F130 PolarHBondContact O-N 3.25Å; F130-I133 WeakPolarHBondContact O-CG1 3.44Å; F130-H134 AromaticContact CD1-ND1 3.93Å; F130-H134 AromaticContact CD2-CE1 3.89Å; F130-H134 AromaticContact CD2-ND1 3.91Å; F130-H134 AromaticContact CE1-ND1 3.74Å; F130-H134 AromaticContact CE2-CE1 3.5Å; F130-H134 AromaticContact CE2-ND1 3.72Å; F130-H134 AromaticContact CZ-CE1 3.72Å; F130-H134 AromaticContact CZ-ND1 3.63Å; F130-H134 PolarHBondContact O-N 2.97Å; F130-H134 PolarHBondContact O-ND1 2.94Å; F130-V139 HydrophobicContact CD1-CG2 4.45Å; F130-V139 HydrophobicContact CE1-CG2 4.13Å; F130-L143 HydrophobicContact CZ-CB 4.26Å; F130-L143 HydrophobicContact CZ-CD1 4.44Å; F130-I147 HydrophobicContact CD1-CG1 4.37Å; F130-I147 HydrophobicContact CE1-CD1 3.97Å; F130-I147 HydrophobicContact CE1-CG1 3.68Å; F130-I147 HydrophobicContact CZ-CG1 3.93Å; F130-F150 HydrophobicContact CB-CD1 4.26Å; F130-F150 HydrophobicContact CB-CE1 3.82Å; F130-F150 HydrophobicContact CB-CZ 4.46Å; F130-F150 AromaticContact CD2-CD1 3.64Å; F130-F150 HydrophobicContact CD2-CD1 3.64Å; F130-F150 HydrophobicContact CD2-CD2 4.34Å; F130-F150 AromaticContact CD2-CE1 3.82Å; F130-F150 HydrophobicContact CD2-CE1 3.82Å; F130-F150 HydrophobicContact CD2-CE2 4.49Å; F130-F150 AromaticContact CD2-CG 3.93Å; F130-F150 HydrophobicContact CD2-CG 3.93Å; F130-F150 HydrophobicContact CD2-CZ 4.25Å; F130-F150 HydrophobicContact CE2-CD1 4.38Å; F130-F150 HydrophobicContact CE2-CG 4.3Å; F130-F150 HydrophobicContact CG-CD1 4.21Å; F130-F150 HydrophobicContact CG-CE1 4.21Å
131C95.7Very high94.2Very high0 Ų045.4 Ų45.40%023%0.228CC..Hα-helixtrans-71-32.2177.9-62.70000112.4C79 G80 T81 S82 L127 Q129 I133 H134C79-C131 HydrophobicContact CB-CB 3.94Å; C79-C131 WeakPolarHBondContact CB-SG 3.42Å; C79-C131 WeakPolarHBondContact SG-CB 3.46Å; C79-C131 CovalentContact SG-SG 2.03Å; C79-C131 PolarHBondContact SG-SG 2.92Å; G80-C131 CarbonylContact O-C 3.59Å; G80-C131 VanDerWaalsContact O-C 3.22Å; G80-C131 VanDerWaalsContact O-CB 3.22Å; G80-C131 WeakPolarHBondContact O-CB 3.39Å; T81-C131 CarbonylContact C-O 3.52Å; T81-C131 VanDerWaalsContact CA-O 3.27Å; T81-C131 WeakPolarHBondContact CA-O 3.42Å; S82-C131 PolarHBondContact N-O 3.26Å; L127-C131 PolarHBondContact O-N 2.93Å; L127-C131 PolarHBondContact O-SG 3.42Å; L127-C131 VanDerWaalsContact O-SG 3.39Å; Q129-C131 PolarHBondContact O-N 3.38Å; C131-I133 PolarHBondContact O-N 3.44Å; C131-H134 PolarHBondContact O-N 3.46Å
132S95.6Very high94.1Very high58 Ų5846.4 Ų46.441%0.40623%0.23SC..Hα-helixtrans-64.7-27.6-177.472.20000113.3G80 S82 N128 Q129G80-S132 PolarHBondContact O-N 3.22Å; S82-S132 VanDerWaalsContact CB-O 3.28Å; S82-S132 WeakPolarHBondContact CB-O 3.32Å; N128-S132 VanDerWaalsContact O-CB 3.3Å; N128-S132 WeakPolarHBondContact O-CB 3.35Å; N128-S132 PolarHBondContact O-N 2.88Å; N128-S132 PolarHBondContact O-OG 2.93Å; Q129-S132 PolarHBondContact O-N 2.85Å; Q129-S132 PolarHBondContact O-OG 3.48Å
133I95.9Very high94.1Very high114 Ų11446 Ų4659%0.58523%0.23SC*.Hα-helixtrans-91.8-20.2178.861.2171.1000113.2Q129 F130 C131Q129-I133 PolarHBondContact O-N 3.5Å; F130-I133 WeakPolarHBondContact O-CG1 3.44Å; C131-I133 PolarHBondContact O-N 3.44Å
134H95.9Very high93.9Very high38 Ų3848.7 Ų48.718%0.17624%0.242CC..SBendtrans-110.9148-175.2-65108.2000113S82 F130 C131 E138 V139 L143S82-H134 WeakPolarHBondContact CB-O 3.44Å; S82-H134 PolarHBondContact N-O 2.92Å; S82-H134 PolarHBondContact OG-O 3.43Å; F130-H134 AromaticContact CD1-ND1 3.93Å; F130-H134 AromaticContact CD2-CE1 3.89Å; F130-H134 AromaticContact CD2-ND1 3.91Å; F130-H134 AromaticContact CE1-ND1 3.74Å; F130-H134 AromaticContact CE2-CE1 3.5Å; F130-H134 AromaticContact CE2-ND1 3.72Å; F130-H134 AromaticContact CZ-CE1 3.72Å; F130-H134 AromaticContact CZ-ND1 3.63Å; F130-H134 PolarHBondContact O-N 2.97Å; F130-H134 PolarHBondContact O-ND1 2.94Å; C131-H134 PolarHBondContact O-N 3.46Å; H134-E138 VanDerWaalsContact CA-OE2 3.23Å; H134-E138 WeakPolarHBondContact CA-OE2 3.41Å; H134-E138 HydrophobicContact CB-CB 4.16Å; H134-E138 WeakPolarHBondContact CB-OE2 3.43Å; H134-E138 IonicContact CD2-OE2 3.38Å; H134-E138 PolarHBondContact CD2-OE2 3.02Å; H134-E138 IonicContact CG-OE2 2.74Å; H134-V139 HydrophobicContact CB-CG2 3.6Å; H134-L143 WeakPolarHBondContact CD2-CD1 3.39Å; H134-L143 VanDerWaalsContact NE2-CD1 3.34Å; H134-L143 WeakPolarHBondContact NE2-CD1 3.28Å
135T95.9Very high93.7Very high54 Ų5451.4 Ų51.433%0.33126%0.258SS..  trans-73.9163.5175.570.70000111.6S82 Q137 E138 V139S82-T135 WeakPolarHBondContact OG-CA 3.34Å; S82-T135 PolarHBondContact OG-N 3.32Å; T135-Q137 PolarHBondContact O-N 2.87Å; T135-E138 PolarHBondContact N-OE2 3.32Å; T135-E138 PolarHBondContact O-N 3.07Å; T135-E138 WeakPolarHBondContact OG1-CG 3.41Å; T135-E138 PolarHBondContact OG1-N 3.33Å; T135-V139 WeakPolarHBondContact O-CG2 3.36Å; T135-V139 PolarHBondContact O-N 2.77Å
136L93.9Very high93.6Very high11 Ų1151.6 Ų51.66%0.05826%0.259CS..Hα-helixtrans-57.1-38.8175.2179.362.8000112.7T81 V85 I87 Y140 I178 I182 Y186T81-L136 HydrophobicContact CG2-CB 4.28Å; T81-L136 HydrophobicContact CG2-CD1 4.13Å; V85-L136 HydrophobicContact CB-CD2 4.36Å; V85-L136 HydrophobicContact CG1-CD2 4.19Å; V85-L136 HydrophobicContact CG2-CD2 4.38Å; I87-L136 HydrophobicContact CG2-CD1 3.4Å; L136-Y140 WeakPolarHBondContact O-CB 3.43Å; L136-Y140 PolarHBondContact O-N 3.12Å; L136-I178 HydrophobicContact CD1-CD1 3.74Å; L136-I178 HydrophobicContact CD1-CG1 4.06Å; L136-I178 HydrophobicContact CD2-CD1 4.45Å; L136-I178 HydrophobicContact CD2-CG2 4.2Å; L136-I178 HydrophobicContact CG-CD1 4.26Å; L136-I182 HydrophobicContact CD2-CG2 3.68Å; L136-Y186 HydrophobicContact CD2-CE2 3.75Å; L136-Y186 HydrophobicContact CG-CE2 4.25Å
137Q91.8Very high93.6Very high35 Ų3550.9 Ų50.916%0.16426%0.256CS..Hα-helixtrans-63.9-46.8178.2174.862.81000111.3T135 Y140 I141 E142 Y186T135-Q137 PolarHBondContact O-N 2.87Å; Q137-Y140 PolarHBondContact O-N 3.2Å; Q137-I141 PolarHBondContact O-N 2.86Å; Q137-E142 PolarHBondContact O-N 3.41Å; Q137-Y186 HydrophobicContact CB-CE1 4.5Å
138E93.8Very high93.6Very high58 Ų5853.2 Ų53.227%0.27127%0.268SS..Iπ-helixtrans-60.8-50178.9-73.5163.8-177.200110.8H134 T135 Y140 E142 L143H134-E138 VanDerWaalsContact CA-OE2 3.23Å; H134-E138 WeakPolarHBondContact CA-OE2 3.41Å; H134-E138 HydrophobicContact CB-CB 4.16Å; H134-E138 WeakPolarHBondContact CB-OE2 3.43Å; H134-E138 IonicContact CD2-OE2 3.38Å; H134-E138 PolarHBondContact CD2-OE2 3.02Å; H134-E138 IonicContact CG-OE2 2.74Å; T135-E138 PolarHBondContact N-OE2 3.32Å; T135-E138 PolarHBondContact O-N 3.07Å; T135-E138 WeakPolarHBondContact OG1-CG 3.41Å; T135-E138 PolarHBondContact OG1-N 3.33Å; E138-Y140 PolarHBondContact O-N 2.93Å; E138-E142 PolarHBondContact O-N 3.48Å; E138-E142 VanDerWaalsContact O-N 3.12Å; E138-L143 HydrophobicContact CB-CD1 4.02Å; E138-L143 HydrophobicContact CB-CG 4.39Å; E138-L143 WeakPolarHBondContact O-CB 3.34Å; E138-L143 PolarHBondContact O-N 3.33Å
139V94.1Very high93.6Very high0 Ų054.3 Ų54.30%027%0.272CS..Iπ-helixtrans-66.9-34.7-178.71800000112.5I87 F89 F130 H134 T135 I147I87-V139 HydrophobicContact CD1-CG1 3.82Å; F89-V139 HydrophobicContact CZ-CG1 4.07Å; F130-V139 HydrophobicContact CD1-CG2 4.45Å; F130-V139 HydrophobicContact CE1-CG2 4.13Å; H134-V139 HydrophobicContact CB-CG2 3.6Å; T135-V139 WeakPolarHBondContact O-CG2 3.36Å; T135-V139 PolarHBondContact O-N 2.77Å; V139-I147 HydrophobicContact CG1-CD1 4Å
140Y92.3Very high93.6Very high47 Ų4753 Ų5318%0.18427%0.265CS..Iπ-helixtrans-87.3-30.6-173.8-173.3-113.9000114.5L136 Q137 E138 K175 P176 I178L136-Y140 WeakPolarHBondContact O-CB 3.43Å; L136-Y140 PolarHBondContact O-N 3.12Å; Q137-Y140 PolarHBondContact O-N 3.2Å; E138-Y140 PolarHBondContact O-N 2.93Å; Y140-K175 HydrophobicContact CD2-CD 4.28Å; Y140-K175 HydrophobicContact CD2-CG 4.11Å; Y140-K175 HydrophobicContact CE2-CD 3.66Å; Y140-K175 HydrophobicContact CE2-CG 3.77Å; Y140-K175 VanDerWaalsContact CZ-CE 3.49Å; Y140-K175 WeakPolarHBondContact O-CE 3.43Å; Y140-P176 HydrophobicContact CD2-CG 4.12Å; Y140-I178 HydrophobicContact CD1-CD1 3.87Å; Y140-I178 HydrophobicContact CD2-CD1 3.35Å; Y140-I178 HydrophobicContact CD2-CG1 4.15Å; Y140-I178 HydrophobicContact CE1-CD1 4.17Å; Y140-I178 HydrophobicContact CE2-CD1 3.65Å; Y140-I178 HydrophobicContact CE2-CG1 4.28Å; Y140-I178 HydrophobicContact CG-CD1 3.47Å; Y140-I178 VanDerWaalsContact CG-CD1 3.47Å
141I89.1Confident93.7Very high70 Ų7052.5 Ų52.536%0.35926%0.263SS..Iπ-helixtrans-121.5-53.4-172.9-60.6-171.7000111.7Q137 E190Q137-I141 PolarHBondContact O-N 2.86Å; I141-E190 HydrophobicContact CD1-CG 4.45Å
142E91.7Very high93.7Very high112 Ų11255.9 Ų55.952%0.52328%0.277SS..Iπ-helixtrans-87.5-35.2-163.3-56.1-177.917300114.6Q137 E138Q137-E142 PolarHBondContact O-N 3.41Å; E138-E142 PolarHBondContact O-N 3.48Å; E138-E142 VanDerWaalsContact O-N 3.12Å
143L93.1Very high93.7Very high32 Ų3260.8 Ų60.817%0.16829%0.287CS..SBendtrans-116.57-173.5-60.4177.3000113.1F130 H134 E138 D145 Q146 I147F130-L143 HydrophobicContact CZ-CB 4.26Å; F130-L143 HydrophobicContact CZ-CD1 4.44Å; H134-L143 WeakPolarHBondContact CD2-CD1 3.39Å; H134-L143 VanDerWaalsContact NE2-CD1 3.34Å; H134-L143 WeakPolarHBondContact NE2-CD1 3.28Å; E138-L143 HydrophobicContact CB-CD1 4.02Å; E138-L143 HydrophobicContact CB-CG 4.39Å; E138-L143 WeakPolarHBondContact O-CB 3.34Å; E138-L143 PolarHBondContact O-N 3.33Å; L143-D145 PolarHBondContact O-N 3.38Å; L143-Q146 VanDerWaalsContact CD2-NE2 3.33Å; L143-Q146 PolarHBondContact O-N 2.97Å; L143-I147 WeakPolarHBondContact O-CG1 3.31Å; L143-I147 PolarHBondContact O-N 3.24Å
144F91.3Very high93.6Very high58 Ų5857 Ų5725%0.25427%0.269SS..Hα-helixtrans-58.2-37.7-176.9175.1-105.6000112.3Q146 I147 V173 K175F144-Q146 PolarHBondContact O-N 3.46Å; F144-I147 HydrophobicContact CD2-CD1 4.22Å; F144-I147 PolarHBondContact O-N 2.92Å; F144-V173 WeakPolarHBondContact CZ-O 3.45Å; F144-K175 HydrophobicContact CE2-CB 4.21Å; F144-K175 HydrophobicContact CE2-CG 4.31Å; F144-K175 HydrophobicContact CZ-CB 4.17Å
145D90.8Very high93.6Very high117 Ų11755.2 Ų55.263%0.62626%0.261SS*.Hα-helixtrans-68-20.7177.864-29.8000113.7L143L143-D145 PolarHBondContact O-N 3.38Å
146Q92.8Very high93.6Very high102 Ų10254.6 Ų54.648%0.47725%0.254SS..Hα-helixtrans-92.5-15.4-178-66.9172.153.100113.3L143 F144 D148 E149 F150L143-Q146 VanDerWaalsContact CD2-NE2 3.33Å; L143-Q146 PolarHBondContact O-N 2.97Å; F144-Q146 PolarHBondContact O-N 3.46Å; Q146-D148 VanDerWaalsContact C-N 3.35Å; Q146-D148 PolarHBondContact O-N 2.85Å; Q146-E149 PolarHBondContact O-N 3.18Å; Q146-F150 WeakPolarHBondContact O-CB 3.25Å; Q146-F150 PolarHBondContact O-N 3.49Å
147I94.3Very high93.7Very high0 Ų057.1 Ų57.10%028%0.277CS..Hα-helixtrans-62.2-43.1-176.7-56.8-178.8000111F89 L127 F130 V139 L143 F144 E149 F150 L151 V173F89-I147 HydrophobicContact CE1-CD1 4.24Å; F89-I147 HydrophobicContact CZ-CD1 4.12Å; L127-I147 HydrophobicContact CD2-CG2 3.82Å; F130-I147 HydrophobicContact CD1-CG1 4.37Å; F130-I147 HydrophobicContact CE1-CD1 3.97Å; F130-I147 HydrophobicContact CE1-CG1 3.68Å; F130-I147 HydrophobicContact CZ-CG1 3.93Å; V139-I147 HydrophobicContact CG1-CD1 4Å; L143-I147 WeakPolarHBondContact O-CG1 3.31Å; L143-I147 PolarHBondContact O-N 3.24Å; F144-I147 HydrophobicContact CD2-CD1 4.22Å; F144-I147 PolarHBondContact O-N 2.92Å; I147-E149 VanDerWaalsContact C-N 3.34Å; I147-E149 PolarHBondContact O-N 3.42Å; I147-F150 PolarHBondContact O-N 3.03Å; I147-L151 HydrophobicContact CG2-CD1 4.08Å; I147-L151 HydrophobicContact CG2-CG 4.34Å; I147-L151 WeakPolarHBondContact O-CB 3.24Å; I147-L151 WeakPolarHBondContact O-CG 3.44Å; I147-L151 PolarHBondContact O-N 3.17Å; I147-V173 HydrophobicContact CG2-CB 4.45Å; I147-V173 HydrophobicContact CG2-CG1 4.39Å; I147-V173 HydrophobicContact CG2-CG2 4.07Å
148D94.2Very high93.8Very high49 Ų4957.5 Ų57.526%0.26228%0.28SS..Hα-helixtrans-58.7-46.5-179.5-72.5-3.7000111.5Q146 K152 V173Q146-D148 VanDerWaalsContact C-N 3.35Å; Q146-D148 PolarHBondContact O-N 2.85Å; D148-K152 WeakPolarHBondContact O-CB 3.42Å; D148-K152 PolarHBondContact O-N 3.41Å; D148-V173 WeakPolarHBondContact OD1-CB 3.45Å; D148-V173 VanDerWaalsContact OD1-CG2 3.23Å; D148-V173 WeakPolarHBondContact OD1-CG2 3.21Å; D148-V173 PolarHBondContact OD1-N 3.36Å
149E94.5Very high93.9Very high81 Ų8154.8 Ų54.838%0.37927%0.267SS..Hα-helixtrans-73.4-37.7-178.5-175.162.5-166.500111.7Q146 I147 K152 R153Q146-E149 PolarHBondContact O-N 3.18Å; I147-E149 VanDerWaalsContact C-N 3.34Å; I147-E149 PolarHBondContact O-N 3.42Å; E149-K152 PolarHBondContact O-N 2.7Å; E149-R153 WeakPolarHBondContact O-CB 3.44Å; E149-R153 VanDerWaalsContact O-CG 3.28Å; E149-R153 WeakPolarHBondContact O-CG 3.41Å; E149-R153 PolarHBondContact O-N 2.69Å; E149-R153 IonicContact OE1-CZ 3.2Å; E149-R153 IonicContact OE1-NE 3.15Å; E149-R153 PolarHBondContact OE1-NE 2.95Å; E149-R153 IonicContact OE1-NH2 2.84Å; E149-R153 PolarHBondContact OE1-NH2 3.29Å
150F94.5Very high93.9Very high67 Ų6759.3 Ų59.329%0.29429%0.294SS..Hα-helixtrans-58.8-51.9172.6171.1-99.5000111F130 Q146 I147 K152 R153 T154F130-F150 HydrophobicContact CB-CD1 4.26Å; F130-F150 HydrophobicContact CB-CE1 3.82Å; F130-F150 HydrophobicContact CB-CZ 4.46Å; F130-F150 AromaticContact CD2-CD1 3.64Å; F130-F150 HydrophobicContact CD2-CD1 3.64Å; F130-F150 HydrophobicContact CD2-CD2 4.34Å; F130-F150 AromaticContact CD2-CE1 3.82Å; F130-F150 HydrophobicContact CD2-CE1 3.82Å; F130-F150 HydrophobicContact CD2-CE2 4.49Å; F130-F150 AromaticContact CD2-CG 3.93Å; F130-F150 HydrophobicContact CD2-CG 3.93Å; F130-F150 HydrophobicContact CD2-CZ 4.25Å; F130-F150 HydrophobicContact CE2-CD1 4.38Å; F130-F150 HydrophobicContact CE2-CG 4.3Å; F130-F150 HydrophobicContact CG-CD1 4.21Å; F130-F150 HydrophobicContact CG-CE1 4.21Å; Q146-F150 WeakPolarHBondContact O-CB 3.25Å; Q146-F150 PolarHBondContact O-N 3.49Å; I147-F150 PolarHBondContact O-N 3.03Å; F150-K152 PolarHBondContact O-N 2.88Å; F150-R153 PolarHBondContact O-N 3.04Å; F150-T154 PolarHBondContact O-N 3.49Å; F150-T154 PolarHBondContact O-OG1 2.77Å; F150-T154 VanDerWaalsContact O-OG1 3.07Å
151L95.6Very high93.9Very high0 Ų064 Ų640%032%0.322CS..Hα-helixtrans-61.6-45179-74.8177.4000111.7E126 L127 I147 R153 T154 L155 V171 V173E126-L151 HydrophobicContact CB-CD2 3.75Å; L127-L151 HydrophobicContact CD2-CD1 3.88Å; L127-L151 HydrophobicContact CD2-CD2 4.26Å; L127-L151 HydrophobicContact CD2-CG 4.38Å; L127-L151 HydrophobicContact CG-CD1 4.1Å; L127-L151 HydrophobicContact CG-CD2 4.09Å; I147-L151 HydrophobicContact CG2-CD1 4.08Å; I147-L151 HydrophobicContact CG2-CG 4.34Å; I147-L151 WeakPolarHBondContact O-CB 3.24Å; I147-L151 WeakPolarHBondContact O-CG 3.44Å; I147-L151 PolarHBondContact O-N 3.17Å; L151-R153 VanDerWaalsContact C-N 3.33Å; L151-R153 PolarHBondContact O-N 3.25Å; L151-T154 PolarHBondContact O-N 2.69Å; L151-L155 HydrophobicContact CB-CD1 4.44Å; L151-L155 WeakPolarHBondContact O-CB 3.28Å; L151-L155 WeakPolarHBondContact O-CG 3.33Å; L151-L155 PolarHBondContact O-N 2.89Å; L151-V171 HydrophobicContact CB-CG1 3.98Å; L151-V171 HydrophobicContact CD1-CG1 4.03Å; L151-V173 HydrophobicContact CD1-CG2 3.52Å
152K95.7Very high94.1Very high70 Ų7064 Ų6430%0.30432%0.322SS..Hα-helixtrans-56.2-48.1177.5178.5177.4173.2170.90111.6D148 E149 F150 Q156 I168 Q169 V171D148-K152 WeakPolarHBondContact O-CB 3.42Å; D148-K152 PolarHBondContact O-N 3.41Å; E149-K152 PolarHBondContact O-N 2.7Å; F150-K152 PolarHBondContact O-N 2.88Å; K152-Q156 WeakPolarHBondContact O-CB 3.45Å; K152-Q156 PolarHBondContact O-N 3.4Å; K152-I168 HydrophobicContact CG-CG2 4.37Å; K152-Q169 WeakPolarHBondContact CE-O 3.43Å; K152-Q169 PolarHBondContact NZ-O 3.24Å; K152-V171 HydrophobicContact CB-CB 4.45Å; K152-V171 HydrophobicContact CB-CG2 3.97Å
153R96Very high94.2Very high162 Ų16258.8 Ų58.861%0.61130%0.297SS*.Hα-helixtrans-65.5-48.6-178.4-73176.6-173.51787.9112.1E149 F150 L151 Q156 A157E149-R153 WeakPolarHBondContact O-CB 3.44Å; E149-R153 VanDerWaalsContact O-CG 3.28Å; E149-R153 WeakPolarHBondContact O-CG 3.41Å; E149-R153 PolarHBondContact O-N 2.69Å; E149-R153 IonicContact OE1-CZ 3.2Å; E149-R153 IonicContact OE1-NE 3.15Å; E149-R153 PolarHBondContact OE1-NE 2.95Å; E149-R153 IonicContact OE1-NH2 2.84Å; E149-R153 PolarHBondContact OE1-NH2 3.29Å; F150-R153 PolarHBondContact O-N 3.04Å; L151-R153 VanDerWaalsContact C-N 3.33Å; L151-R153 PolarHBondContact O-N 3.25Å; R153-Q156 PolarHBondContact O-N 3.34Å; R153-A157 WeakPolarHBondContact O-CB 3.42Å; R153-A157 PolarHBondContact O-N 3.19Å
154T95.3Very high94.3Very high33 Ų3361.4 Ų61.420%0.20232%0.316CS..Hα-helixtrans-67.8-46.7-176.4-54.50000111.3E126 F150 L151 Q156 A157 D158E126-T154 VanDerWaalsContact CD-CG2 3.44Å; E126-T154 HydrophobicContact CG-CG2 3.95Å; E126-T154 VanDerWaalsContact OE2-CG2 3.27Å; E126-T154 WeakPolarHBondContact OE2-CG2 3.21Å; F150-T154 PolarHBondContact O-N 3.49Å; F150-T154 PolarHBondContact O-OG1 2.77Å; F150-T154 VanDerWaalsContact O-OG1 3.07Å; L151-T154 PolarHBondContact O-N 2.69Å; T154-Q156 VanDerWaalsContact C-N 3.34Å; T154-Q156 PolarHBondContact O-N 2.92Å; T154-A157 PolarHBondContact O-N 3.42Å; T154-D158 PolarHBondContact O-N 2.9Å; T154-D158 VanDerWaalsContact O-N 3.11Å
155L95.8Very high94.4Very high2 Ų258.9 Ų58.91%0.0131%0.306CS..Hα-helixtrans-61-43.7176.7-65.5173.4000111.4K122 I123 E126 L151 A157 D158 L159 I168 V171K122-L155 HydrophobicContact CB-CD2 3.82Å; K122-L155 HydrophobicContact CG-CD2 3.35Å; I123-L155 HydrophobicContact CG1-CD1 3.91Å; I123-L155 HydrophobicContact CG1-CD2 4.39Å; E126-L155 HydrophobicContact CG-CD2 4.39Å; L151-L155 HydrophobicContact CB-CD1 4.44Å; L151-L155 WeakPolarHBondContact O-CB 3.28Å; L151-L155 WeakPolarHBondContact O-CG 3.33Å; L151-L155 PolarHBondContact O-N 2.89Å; L155-A157 PolarHBondContact O-N 3.28Å; L155-D158 PolarHBondContact O-N 2.93Å; L155-L159 WeakPolarHBondContact O-CB 3.48Å; L155-L159 VanDerWaalsContact O-CG 3.24Å; L155-L159 WeakPolarHBondContact O-CG 3.37Å; L155-L159 PolarHBondContact O-N 3.4Å; L155-I168 HydrophobicContact CB-CD1 3.24Å; L155-I168 HydrophobicContact CD1-CD1 3.99Å; L155-I168 HydrophobicContact CG-CD1 4.22Å; L155-V171 HydrophobicContact CD1-CG2 4.42Å
156Q95.4Very high94.6Very high40 Ų4053.3 Ų53.319%0.18728%0.277CS..Hα-helixtrans-64.9-41.3178.4-174.560.550.100112.2K152 R153 T154 D158 L159 V160K152-Q156 WeakPolarHBondContact O-CB 3.45Å; K152-Q156 PolarHBondContact O-N 3.4Å; R153-Q156 PolarHBondContact O-N 3.34Å; T154-Q156 VanDerWaalsContact C-N 3.34Å; T154-Q156 PolarHBondContact O-N 2.92Å; Q156-D158 VanDerWaalsContact C-N 3.29Å; Q156-D158 PolarHBondContact O-N 3.14Å; Q156-L159 PolarHBondContact O-N 3.36Å; Q156-V160 VanDerWaalsContact O-CG2 3.28Å; Q156-V160 WeakPolarHBondContact O-CG2 3.35Å; Q156-V160 PolarHBondContact O-N 2.88Å
157A95.7Very high94.7Very high65 Ų6552.8 Ų52.854%0.53727%0.271SS..Hα-helixtrans-59.8-42.2178.500000111.7R153 T154 L155R153-A157 WeakPolarHBondContact O-CB 3.42Å; R153-A157 PolarHBondContact O-N 3.19Å; T154-A157 PolarHBondContact O-N 3.42Å; L155-A157 PolarHBondContact O-N 3.28Å
158D94.3Very high94.8Very high42 Ų4253.2 Ų53.223%0.22527%0.273CS..Hα-helixtrans-71.5-38.3178.3-74.3-38.6000112.8K122 T154 L155 Q156 V160 L161 M162K122-D158 WeakPolarHBondContact CE-OD2 3.38Å; K122-D158 IonicContact NZ-OD2 2.66Å; K122-D158 PolarHBondContact NZ-OD2 3.34Å; T154-D158 PolarHBondContact O-N 2.9Å; T154-D158 VanDerWaalsContact O-N 3.11Å; L155-D158 PolarHBondContact O-N 2.93Å; Q156-D158 VanDerWaalsContact C-N 3.29Å; Q156-D158 PolarHBondContact O-N 3.14Å; D158-V160 VanDerWaalsContact C-N 3.33Å; D158-V160 PolarHBondContact O-N 3.47Å; D158-L161 PolarHBondContact O-N 3.32Å; D158-M162 HydrophobicContact CB-CE 3.78Å; D158-M162 WeakPolarHBondContact O-CB 2.89Å; D158-M162 WeakPolarHBondContact O-CG 3.03Å; D158-M162 PolarHBondContact O-N 2.88Å
159L94.9Very high94.9Very high2 Ų256 Ų561%0.0129%0.285CS..Hα-helixtrans-65.4-35.5176.5-73.3179.5000112.8L118 L155 Q156 L161 M162 A163 L166 I168L118-L159 HydrophobicContact CB-CD2 3.98Å; L118-L159 HydrophobicContact CD1-CD2 4.38Å; L118-L159 HydrophobicContact CD2-CD2 4.41Å; L155-L159 WeakPolarHBondContact O-CB 3.48Å; L155-L159 VanDerWaalsContact O-CG 3.24Å; L155-L159 WeakPolarHBondContact O-CG 3.37Å; L155-L159 PolarHBondContact O-N 3.4Å; Q156-L159 PolarHBondContact O-N 3.36Å; L159-L161 PolarHBondContact O-N 3.37Å; L159-M162 PolarHBondContact O-N 2.99Å; L159-A163 HydrophobicContact CD2-CB 4.37Å; L159-A163 CarbonylContact O-C 3.46Å; L159-A163 WeakPolarHBondContact O-CA 3.38Å; L159-A163 PolarHBondContact O-N 2.81Å; L159-A163 VanDerWaalsContact O-O 3.13Å; L159-L166 HydrophobicContact CD1-CB 4.49Å; L159-L166 HydrophobicContact CD1-CD2 4.1Å; L159-L166 HydrophobicContact CD1-CG 4.02Å; L159-L166 HydrophobicContact CD2-CD2 3.79Å; L159-L166 HydrophobicContact CD2-CG 4.4Å; L159-I168 HydrophobicContact CD1-CD1 3.5Å; L159-I168 HydrophobicContact CD1-CG1 3.68Å
160V94.1Very high94.9Very high94 Ų9453.7 Ų53.757%0.5728%0.279SS*.Hα-helixtrans-59.8-35.1174.7169.70000111.4Q156 D158Q156-V160 VanDerWaalsContact O-CG2 3.28Å; Q156-V160 WeakPolarHBondContact O-CG2 3.35Å; Q156-V160 PolarHBondContact O-N 2.88Å; D158-V160 VanDerWaalsContact C-N 3.33Å; D158-V160 PolarHBondContact O-N 3.47Å
161L93.7Very high95Very high146 Ų14650.9 Ų50.976%0.76427%0.268SS*.Hα-helixtrans-82.3-43.9178.5-177.464.3000112.7D158 L159D158-L161 PolarHBondContact O-N 3.32Å; L159-L161 PolarHBondContact O-N 3.37Å
162M92.8Very high95Very high71 Ų7158.4 Ų58.435%0.3530%0.296SS..Hα-helixtrans-88-36.8-170.2-68.5-165.7-7100114Y110 L118 D158 L159Y110-M162 WeakPolarHBondContact CE2-O 3.06Å; Y110-M162 PolarHBondContact OH-O 3.45Å; L118-M162 HydrophobicContact CD2-CB 4.43Å; L118-M162 HydrophobicContact CD2-CE 4.39Å; D158-M162 HydrophobicContact CB-CE 3.78Å; D158-M162 WeakPolarHBondContact O-CB 2.89Å; D158-M162 WeakPolarHBondContact O-CG 3.03Å; D158-M162 PolarHBondContact O-N 2.88Å; L159-M162 PolarHBondContact O-N 2.99Å
163A93.4Very high95Very high1 Ų155.6 Ų55.61%0.00829%0.285CS..SBendtrans-145.572.4-169.100000110.7I106 Y110 L118 L159 G165 L166I106-A163 HydrophobicContact CD1-CB 4.2Å; I106-A163 HydrophobicContact CG1-CB 4.18Å; Y110-A163 HydrophobicContact CE2-CB 4.01Å; L118-A163 HydrophobicContact CD1-CB 3.59Å; L118-A163 HydrophobicContact CD2-CB 4.41Å; L159-A163 HydrophobicContact CD2-CB 4.37Å; L159-A163 CarbonylContact O-C 3.46Å; L159-A163 WeakPolarHBondContact O-CA 3.38Å; L159-A163 PolarHBondContact O-N 2.81Å; L159-A163 VanDerWaalsContact O-O 3.13Å; A163-G165 PolarHBondContact O-N 2.88Å; A163-L166 HydrophobicContact CB-CB 4.46Å; A163-L166 PolarHBondContact O-N 3.07Å; A163-L166 VanDerWaalsContact O-N 3.14Å
164P94.6Very high94.9Very high87 Ų8750.3 Ų50.357%0.56527%0.271SS*.THydrogen-bonded Turntrans-60.7122.2-178.425.7-34000110.5S102S102-P164 WeakPolarHBondContact CB-O 3.33Å; S102-P164 PolarHBondContact OG-O 3.28Å
165G93.5Very high94.8Very high5 Ų553.5 Ų53.55%0.05228%0.282CS..THydrogen-bonded Turntrans110.1-8.8-17700000115A99 S102 A163 Y167A99-G165 WeakPolarHBondContact CB-O 3.27Å; A99-G165 PolarHBondContact N-O 2.83Å; S102-G165 WeakPolarHBondContact OG-CA 3.16Å; A163-G165 PolarHBondContact O-N 2.88Å; G165-Y167 WeakPolarHBondContact O-CD2 3.36Å
166L95.7Very high94.7Very high1 Ų153.6 Ų53.61%0.00528%0.283CS..EExtended strand (participates in β ladder)trans-92121.3166.3-173.660.1000109.7N96 L98 I106 Y114 L118 I119 L159 A163N96-L166 HydrophobicContact CB-CD1 4.31Å; L98-L166 HydrophobicContact CB-CD1 4.33Å; I106-L166 HydrophobicContact CD1-CB 4.1Å; Y114-L166 HydrophobicContact CD2-CD2 3.82Å; Y114-L166 HydrophobicContact CE2-CD1 3.69Å; Y114-L166 HydrophobicContact CE2-CD2 3.7Å; Y114-L166 HydrophobicContact CE2-CG 4.36Å; L118-L166 HydrophobicContact CB-CD2 4.38Å; L118-L166 HydrophobicContact CD1-CD2 3.96Å; I119-L166 HydrophobicContact CD1-CD2 4.36Å; L159-L166 HydrophobicContact CD1-CB 4.49Å; L159-L166 HydrophobicContact CD1-CD2 4.1Å; L159-L166 HydrophobicContact CD1-CG 4.02Å; L159-L166 HydrophobicContact CD2-CD2 3.79Å; L159-L166 HydrophobicContact CD2-CG 4.4Å; A163-L166 HydrophobicContact CB-CB 4.46Å; A163-L166 PolarHBondContact O-N 3.07Å; A163-L166 VanDerWaalsContact O-N 3.14Å
167Y95.8Very high94.6Very high90 Ų9057.3 Ų57.335%0.35330%0.298SS..EExtended strand (participates in β ladder)trans-122.2137.8-175.1-62.5-80000111.3N96 Y97 A99 G165N96-Y167 CarbonylContact C-O 3.59Å; N96-Y167 WeakPolarHBondContact CA-O 3.5Å; Y97-Y167 HydrophobicContact CD2-CD2 4.28Å; Y97-Y167 HydrophobicContact CE1-CD2 4.2Å; Y97-Y167 HydrophobicContact CE1-CG 4.05Å; Y97-Y167 AromaticContact CE2-CD2 3.47Å; Y97-Y167 HydrophobicContact CE2-CD2 3.47Å; Y97-Y167 VanDerWaalsContact CE2-CD2 3.47Å; Y97-Y167 HydrophobicContact CE2-CE2 4.21Å; Y97-Y167 HydrophobicContact CE2-CG 4.16Å; Y97-Y167 AromaticContact CZ-CD2 3.41Å; Y97-Y167 VanDerWaalsContact CZ-CD2 3.41Å; Y97-Y167 AromaticContact CZ-CG 3.64Å; Y97-Y167 PolarHBondContact N-O 3.45Å; Y97-Y167 PolarHBondContact O-N 3.38Å; Y97-Y167 WeakPolarHBondContact OH-CD2 3.19Å; A99-Y167 HydrophobicContact CB-CE2 4.22Å; G165-Y167 WeakPolarHBondContact O-CD2 3.36Å
168I96.1Very high94.5Very high10 Ų1055.3 Ų55.35%0.05128%0.278CS..EExtended strand (participates in β ladder)trans-99.9116.2174.8-65.2171.3000109V94 K152 L155 L159 V171V94-I168 HydrophobicContact CG1-CD1 4.26Å; V94-I168 HydrophobicContact CG1-CG1 4.1Å; V94-I168 HydrophobicContact CG1-CG2 3.93Å; K152-I168 HydrophobicContact CG-CG2 4.37Å; L155-I168 HydrophobicContact CB-CD1 3.24Å; L155-I168 HydrophobicContact CD1-CD1 3.99Å; L155-I168 HydrophobicContact CG-CD1 4.22Å; L159-I168 HydrophobicContact CD1-CD1 3.5Å; L159-I168 HydrophobicContact CD1-CG1 3.68Å; I168-V171 HydrophobicContact CG2-CG2 3.77Å
169Q94.5Very high94.4Very high107 Ų10756.4 Ų56.450%0.529%0.287SS..EExtended strand (participates in β ladder)trans-80-47.9178.2-174.262.126.300111.3L69 V95 K152L69-Q169 HydrophobicContact CD2-CB 4.19Å; L69-Q169 HydrophobicContact CD2-CG 4.43Å; V95-Q169 HydrophobicContact CB-CB 4.38Å; V95-Q169 HydrophobicContact CG1-CB 4.12Å; V95-Q169 PolarHBondContact O-N 2.9Å; K152-Q169 WeakPolarHBondContact CE-O 3.43Å; K152-Q169 PolarHBondContact NZ-O 3.24Å
170A95.6Very high94.3Very high32 Ų3261 Ų6126%0.26431%0.309SS..EExtended strand (participates in β ladder)trans-153.4150.1-176.400000111.6V95V95-A170 HydrophobicContact CB-CB 4.37Å; V95-A170 HydrophobicContact CG2-CB 4.44Å; V95-A170 PolarHBondContact N-O 2.85Å; V95-A170 PolarHBondContact O-N 3.01Å
171V96.3Very high94.2Very high9 Ų960 Ų606%0.05531%0.311CS..EExtended strand (participates in β ladder)trans-124.2139.1170.9179.80000107.2V92 E93 V94 L151 K152 L155 I168 V173V92-V171 HydrophobicContact CG1-CG1 4.22Å; E93-V171 CarbonylContact O-C 3.51Å; E93-V171 WeakPolarHBondContact O-CA 3.34Å; V94-V171 HydrophobicContact CG1-CG2 4.32Å; V94-V171 HydrophobicContact CG2-CG1 4.17Å; V94-V171 HydrophobicContact CG2-CG2 4.09Å; L151-V171 HydrophobicContact CB-CG1 3.98Å; L151-V171 HydrophobicContact CD1-CG1 4.03Å; K152-V171 HydrophobicContact CB-CB 4.45Å; K152-V171 HydrophobicContact CB-CG2 3.97Å; L155-V171 HydrophobicContact CD1-CG2 4.42Å; I168-V171 HydrophobicContact CG2-CG2 3.77Å; V171-V173 HydrophobicContact CG1-CG2 4.22Å
172R95.4Very high94.1Very high157 Ų15755.2 Ų55.259%0.59229%0.285SS*.EExtended strand (participates in β ladder)trans-131123.5174.4-64.2177.5179.4160.3-0.2109.6V92 E93V92-R172 WeakPolarHBondContact CA-O 3.49Å; E93-R172 HydrophobicContact CB-CB 4.39Å; E93-R172 PolarHBondContact N-O 3.09Å; E93-R172 PolarHBondContact O-N 2.96Å
173V95.2Very high94.1Very high11 Ų1155.8 Ų55.87%0.06728%0.283CS..EExtended strand (participates in β ladder)trans-111132178.4-177.60000109.7F89 V92 F144 I147 D148 L151 V171F89-V173 HydrophobicContact CD1-CG1 3.28Å; F89-V173 HydrophobicContact CE1-CG1 3.52Å; F89-V173 HydrophobicContact CG-CG1 4.18Å; V92-V173 HydrophobicContact CG1-CG2 4.09Å; V92-V173 HydrophobicContact CG2-CG1 4.32Å; V92-V173 HydrophobicContact CG2-CG2 4.3Å; F144-V173 WeakPolarHBondContact CZ-O 3.45Å; I147-V173 HydrophobicContact CG2-CB 4.45Å; I147-V173 HydrophobicContact CG2-CG1 4.39Å; I147-V173 HydrophobicContact CG2-CG2 4.07Å; D148-V173 WeakPolarHBondContact OD1-CB 3.45Å; D148-V173 VanDerWaalsContact OD1-CG2 3.23Å; D148-V173 WeakPolarHBondContact OD1-CG2 3.21Å; D148-V173 PolarHBondContact OD1-N 3.36Å; L151-V173 HydrophobicContact CD1-CG2 3.52Å; V171-V173 HydrophobicContact CG1-CG2 4.22Å
174T94.2Very high94Very high51 Ų5162.5 Ų62.531%0.31331%0.308SS..PPolyproline II helixtrans-79.6157.2172.752.60000111.5F89 R91F89-T174 VanDerWaalsContact CD1-O 3.3Å; F89-T174 WeakPolarHBondContact CD1-O 3.27Å; R91-T174 HydrophobicContact CB-CG2 3.85Å; R91-T174 PolarHBondContact N-OG1 3.08Å; R91-T174 PolarHBondContact O-N 3.16Å; R91-T174 PolarHBondContact O-OG1 3.37Å
175K93.5Very high93.9Very high100 Ų10063.6 Ų63.644%0.43531%0.309SS..PPolyproline II helixtrans-60.8134.3178.7-156.5173.6-163-172.70110.8Y140 F144Y140-K175 HydrophobicContact CD2-CD 4.28Å; Y140-K175 HydrophobicContact CD2-CG 4.11Å; Y140-K175 HydrophobicContact CE2-CD 3.66Å; Y140-K175 HydrophobicContact CE2-CG 3.77Å; Y140-K175 VanDerWaalsContact CZ-CE 3.49Å; Y140-K175 WeakPolarHBondContact O-CE 3.43Å; F144-K175 HydrophobicContact CE2-CB 4.21Å; F144-K175 HydrophobicContact CE2-CG 4.31Å; F144-K175 HydrophobicContact CZ-CB 4.17Å
176P93.9Very high93.7Very high5 Ų565.3 Ų65.33%0.03232%0.315CS..PPolyproline II helixtrans-69.5142.7-176.625.8-32000111.6I87 Y88 F89 Y140I87-P176 HydrophobicContact CB-CB 4.25Å; I87-P176 HydrophobicContact CD1-CB 3.92Å; I87-P176 HydrophobicContact CD1-CG 4.09Å; I87-P176 HydrophobicContact CG1-CB 4.34Å; Y88-P176 CarbonylContact O-C 3.56Å; Y88-P176 VanDerWaalsContact O-CA 3.27Å; Y88-P176 WeakPolarHBondContact O-CA 3.21Å; F89-P176 HydrophobicContact CD1-CB 3.91Å; F89-P176 HydrophobicContact CD1-CG 4.41Å; F89-P176 HydrophobicContact CE1-CB 3.78Å; F89-P176 HydrophobicContact CE1-CG 3.84Å; F89-P176 HydrophobicContact CE2-CB 4.43Å; F89-P176 HydrophobicContact CG-CB 4.32Å; F89-P176 HydrophobicContact CZ-CB 4.05Å; F89-P176 HydrophobicContact CZ-CG 4.13Å; Y140-P176 HydrophobicContact CD2-CG 4.12Å
177K93.8Very high93.5Very high118 Ų11870.1 Ų70.151%0.51334%0.337SS..BIsolated β-bridgetrans-76.3124169.3-75.1-170.3175132.90110.2Y88 D90Y88-K177 PolarHBondContact N-O 3.33Å; Y88-K177 VanDerWaalsContact N-O 3.17Å; Y88-K177 PolarHBondContact O-N 3.17Å; D90-K177 WeakPolarHBondContact OD1-CD 3.43Å; D90-K177 WeakPolarHBondContact OD1-CE 3.43Å; D90-K177 WeakPolarHBondContact OD1-CG 3.4Å; D90-K177 IonicContact OD1-NZ 2.83Å; D90-K177 PolarHBondContact OD1-NZ 3Å; D90-K177 WeakPolarHBondContact OD2-CE 3.23Å; D90-K177 IonicContact OD2-NZ 3.87Å; D90-K177 PolarHBondContact OD2-NZ 3.44Å
178I93.7Very high93.3Very high23 Ų2368.3 Ų68.312%0.11834%0.341CS..  trans-107.7143.7175.8-56.1176.2000108.5I87 L136 Y140 E180 I182I87-I178 HydrophobicContact CG2-CG1 4.09Å; L136-I178 HydrophobicContact CD1-CD1 3.74Å; L136-I178 HydrophobicContact CD1-CG1 4.06Å; L136-I178 HydrophobicContact CD2-CD1 4.45Å; L136-I178 HydrophobicContact CD2-CG2 4.2Å; L136-I178 HydrophobicContact CG-CD1 4.26Å; Y140-I178 HydrophobicContact CD1-CD1 3.87Å; Y140-I178 HydrophobicContact CD2-CD1 3.35Å; Y140-I178 HydrophobicContact CD2-CG1 4.15Å; Y140-I178 HydrophobicContact CE1-CD1 4.17Å; Y140-I178 HydrophobicContact CE2-CD1 3.65Å; Y140-I178 HydrophobicContact CE2-CG1 4.28Å; Y140-I178 HydrophobicContact CG-CD1 3.47Å; Y140-I178 VanDerWaalsContact CG-CD1 3.47Å; I178-E180 PolarHBondContact O-N 3.49Å; I178-I182 HydrophobicContact CG2-CB 3.77Å; I178-I182 HydrophobicContact CG2-CG2 3.75Å
179P92.5Very high93Very high64 Ų6473.1 Ų73.142%0.41637%0.365SS..  trans-49.6139.6171.5-28.735.6000113.2A181 I182 R183P179-A181 VanDerWaalsContact C-N 3.26Å; P179-A181 PolarHBondContact O-N 3.22Å; P179-A181 VanDerWaalsContact O-N 3.16Å; P179-I182 PolarHBondContact O-N 3.06Å; P179-R183 PolarHBondContact O-N 3.07Å; P179-R183 VanDerWaalsContact O-N 3.08Å
180E92.7Very high92.8Very high100 Ų10070.7 Ų70.747%0.46735%0.353SS..Hα-helixtrans-59.4-35.1-170.6-161.6-17417200113.4I178 I182 R183 R184I178-E180 PolarHBondContact O-N 3.49Å; E180-I182 VanDerWaalsContact C-N 3.3Å; E180-I182 PolarHBondContact O-N 3.3Å; E180-R183 PolarHBondContact O-N 2.96Å; E180-R183 IonicContact OE1-NH2 3.83Å; E180-R184 VanDerWaalsContact CD-NH2 3.29Å; E180-R184 WeakPolarHBondContact O-CG 3.46Å; E180-R184 PolarHBondContact O-N 2.91Å; E180-R184 VanDerWaalsContact O-N 3.08Å; E180-R184 IonicContact OE1-CZ 3.48Å; E180-R184 IonicContact OE1-NE 3.95Å; E180-R184 PolarHBondContact OE1-NE 2.83Å; E180-R184 IonicContact OE1-NH2 2.7Å; E180-R184 PolarHBondContact OE1-NH2 2.74Å; E180-R184 IonicContact OE2-NH2 2.71Å
181A91Very high92.7Very high73 Ų7371.3 Ų71.360%0.60336%0.359SS*.Hα-helixtrans-58.7-40.7177.100000112.4P179 N185P179-A181 VanDerWaalsContact C-N 3.26Å; P179-A181 PolarHBondContact O-N 3.22Å; P179-A181 VanDerWaalsContact O-N 3.16Å; A181-N185 PolarHBondContact O-ND2 3.37Å
182I91.7Very high92.6Very high44 Ų4476 Ų7623%0.22638%0.38CS..Hα-helixtrans-78.6-39.7-180-61.9172.4000110.1V85 L136 I178 P179 E180 R184 N185 Y186V85-I182 HydrophobicContact CB-CD1 4.45Å; V85-I182 HydrophobicContact CG1-CD1 3.64Å; V85-I182 HydrophobicContact CG2-CD1 3.89Å; L136-I182 HydrophobicContact CD2-CG2 3.68Å; I178-I182 HydrophobicContact CG2-CB 3.77Å; I178-I182 HydrophobicContact CG2-CG2 3.75Å; P179-I182 PolarHBondContact O-N 3.06Å; E180-I182 VanDerWaalsContact C-N 3.3Å; E180-I182 PolarHBondContact O-N 3.3Å; I182-R184 VanDerWaalsContact C-N 3.34Å; I182-R184 PolarHBondContact O-N 3.5Å; I182-N185 WeakPolarHBondContact O-CB 3.23Å; I182-N185 PolarHBondContact O-N 2.99Å; I182-N185 VanDerWaalsContact O-N 3.09Å; I182-Y186 HydrophobicContact CG2-CD2 3.58Å; I182-Y186 HydrophobicContact CG2-CE2 3.42Å; I182-Y186 VanDerWaalsContact CG2-CE2 3.42Å; I182-Y186 WeakPolarHBondContact O-CD2 3.07Å; I182-Y186 PolarHBondContact O-N 3.49Å
183R92.1Very high92.5Very high84 Ų8473.7 Ų73.732%0.31737%0.374SS..Hα-helixtrans-55.4-46.9177.5-176-177.563.881.71.6112P179 E180 N185 Y186 E187P179-R183 PolarHBondContact O-N 3.07Å; P179-R183 VanDerWaalsContact O-N 3.08Å; E180-R183 PolarHBondContact O-N 2.96Å; E180-R183 IonicContact OE1-NH2 3.83Å; R183-N185 VanDerWaalsContact C-N 3.28Å; R183-N185 PolarHBondContact O-N 2.99Å; R183-Y186 PolarHBondContact O-N 3.08Å; R183-E187 WeakPolarHBondContact CG-OE1 3.4Å; R183-E187 IonicContact CZ-OE1 3.67Å; R183-E187 IonicContact CZ-OE2 3.37Å; R183-E187 IonicContact NH1-OE1 3.25Å; R183-E187 PolarHBondContact NH1-OE1 2.83Å; R183-E187 IonicContact NH1-OE2 2.69Å; R183-E187 PolarHBondContact NH1-OE2 3.24Å; R183-E187 WeakPolarHBondContact O-CG 3.37Å; R183-E187 PolarHBondContact O-N 2.81Å
184R92.9Very high92.4Very high141 Ų14176.5 Ų76.553%0.53239%0.391SS..Hα-helixtrans-60.5-37.5177.9-68.9179-169.5176.83.1112.2E180 I182 E187 A188E180-R184 VanDerWaalsContact CD-NH2 3.29Å; E180-R184 WeakPolarHBondContact O-CG 3.46Å; E180-R184 PolarHBondContact O-N 2.91Å; E180-R184 VanDerWaalsContact O-N 3.08Å; E180-R184 IonicContact OE1-CZ 3.48Å; E180-R184 IonicContact OE1-NE 3.95Å; E180-R184 PolarHBondContact OE1-NE 2.83Å; E180-R184 IonicContact OE1-NH2 2.7Å; E180-R184 PolarHBondContact OE1-NH2 2.74Å; E180-R184 IonicContact OE2-NH2 2.71Å; I182-R184 VanDerWaalsContact C-N 3.34Å; I182-R184 PolarHBondContact O-N 3.5Å; R184-E187 PolarHBondContact O-N 2.68Å; R184-A188 WeakPolarHBondContact O-CB 2.76Å; R184-A188 PolarHBondContact O-N 3.3Å
185N91.1Very high92.5Very high110 Ų11079.8 Ų79.859%0.58840%0.401SS*.Hα-helixtrans-67.6-40.3177.6-67.6-17.2000111.9A181 I182 R183 A188 M189A181-N185 PolarHBondContact O-ND2 3.37Å; I182-N185 WeakPolarHBondContact O-CB 3.23Å; I182-N185 PolarHBondContact O-N 2.99Å; I182-N185 VanDerWaalsContact O-N 3.09Å; R183-N185 VanDerWaalsContact C-N 3.28Å; R183-N185 PolarHBondContact O-N 2.99Å; N185-A188 PolarHBondContact O-N 2.63Å; N185-M189 VanDerWaalsContact O-CB 3.28Å; N185-M189 WeakPolarHBondContact O-CB 3.3Å; N185-M189 PolarHBondContact O-N 3.02Å
186Y90.1Very high92.6Very high42 Ų4279.9 Ų79.917%0.16541%0.406CS..Hα-helixtrans-67.2-41.4174.8-84.2-71.7000112.6L136 Q137 I182 R183 A188 M189 E190L136-Y186 HydrophobicContact CD2-CE2 3.75Å; L136-Y186 HydrophobicContact CG-CE2 4.25Å; Q137-Y186 HydrophobicContact CB-CE1 4.5Å; I182-Y186 HydrophobicContact CG2-CD2 3.58Å; I182-Y186 HydrophobicContact CG2-CE2 3.42Å; I182-Y186 VanDerWaalsContact CG2-CE2 3.42Å; I182-Y186 WeakPolarHBondContact O-CD2 3.07Å; I182-Y186 PolarHBondContact O-N 3.49Å; R183-Y186 PolarHBondContact O-N 3.08Å; Y186-A188 VanDerWaalsContact C-N 3.3Å; Y186-A188 PolarHBondContact O-N 3.01Å; Y186-M189 PolarHBondContact O-N 3.49Å; Y186-E190 WeakPolarHBondContact O-CB 3.31Å; Y186-E190 WeakPolarHBondContact O-CG 3.42Å; Y186-E190 PolarHBondContact O-N 2.95Å
187E90.7Very high92.6Very high101 Ų10183.8 Ų83.847%0.47243%0.426SS..Hα-helixtrans-60.9-41.8175.4-73.6170.3-17600111.4R183 R184 A191R183-E187 WeakPolarHBondContact CG-OE1 3.4Å; R183-E187 IonicContact CZ-OE1 3.67Å; R183-E187 IonicContact CZ-OE2 3.37Å; R183-E187 IonicContact NH1-OE1 3.25Å; R183-E187 PolarHBondContact NH1-OE1 2.83Å; R183-E187 IonicContact NH1-OE2 2.69Å; R183-E187 PolarHBondContact NH1-OE2 3.24Å; R183-E187 WeakPolarHBondContact O-CG 3.37Å; R183-E187 PolarHBondContact O-N 2.81Å; R184-E187 PolarHBondContact O-N 2.68Å; E187-A191 WeakPolarHBondContact O-CB 3.37Å; E187-A191 PolarHBondContact O-N 3.17Å
188A93Very high92.8Very high53 Ų5383.3 Ų83.344%0.43843%0.428SS..Hα-helixtrans-65.5-44.7173.500000112.1R184 N185 Y186 A191 E192R184-A188 WeakPolarHBondContact O-CB 2.76Å; R184-A188 PolarHBondContact O-N 3.3Å; N185-A188 PolarHBondContact O-N 2.63Å; Y186-A188 VanDerWaalsContact C-N 3.3Å; Y186-A188 PolarHBondContact O-N 3.01Å; A188-A191 PolarHBondContact O-N 2.73Å; A188-E192 WeakPolarHBondContact O-CG 3.14Å; A188-E192 PolarHBondContact O-N 3.12Å
189M89.5Confident92.9Very high110 Ų11084.8 Ų84.854%0.54244%0.444SS..Hα-helixtrans-63.5-44.4-179.9-172.3-170.8-5900112.1N185 Y186 A191 E192 K193N185-M189 VanDerWaalsContact O-CB 3.28Å; N185-M189 WeakPolarHBondContact O-CB 3.3Å; N185-M189 PolarHBondContact O-N 3.02Å; Y186-M189 PolarHBondContact O-N 3.49Å; M189-A191 VanDerWaalsContact C-N 3.33Å; M189-E192 PolarHBondContact O-N 2.72Å; M189-K193 WeakPolarHBondContact O-CB 3.46Å; M189-K193 PolarHBondContact O-N 3.45Å
190E89.7Confident93.1Very high57 Ų5785.8 Ų85.827%0.26644%0.443SS..Hα-helixtrans-67-35.2176.8-75.4-61.6145.200111.6I141 Y186 K193 T194I141-E190 HydrophobicContact CD1-CG 4.45Å; Y186-E190 WeakPolarHBondContact O-CB 3.31Å; Y186-E190 WeakPolarHBondContact O-CG 3.42Å; Y186-E190 PolarHBondContact O-N 2.95Å; E190-K193 PolarHBondContact O-N 3.28Å; E190-K193 IonicContact OE1-NZ 2.84Å; E190-T194 WeakPolarHBondContact O-CB 3.25Å; E190-T194 PolarHBondContact O-N 2.9Å; E190-T194 PolarHBondContact O-OG1 3.44Å
191A93.7Very high93.2Very high45 Ų4586 Ų8637%0.37244%0.444SS..Hα-helixtrans-63.3-44.4171.600000111.8E187 A188 M189 T194 K195E187-A191 WeakPolarHBondContact O-CB 3.37Å; E187-A191 PolarHBondContact O-N 3.17Å; A188-A191 PolarHBondContact O-N 2.73Å; M189-A191 VanDerWaalsContact C-N 3.33Å; A191-T194 PolarHBondContact O-N 3.41Å; A191-K195 VanDerWaalsContact O-CG 3.31Å; A191-K195 WeakPolarHBondContact O-CG 3.04Å; A191-K195 PolarHBondContact O-N 2.79Å
192E94.2Very high93.5Very high108 Ų10887.7 Ų87.751%0.50544%0.439SS..Hα-helixtrans-66.4-41.6176.1-68.5-53.3133.800112.4A188 M189 T194 K195 L196A188-E192 WeakPolarHBondContact O-CG 3.14Å; A188-E192 PolarHBondContact O-N 3.12Å; M189-E192 PolarHBondContact O-N 2.72Å; E192-T194 VanDerWaalsContact C-N 3.31Å; E192-T194 PolarHBondContact O-N 2.95Å; E192-K195 WeakPolarHBondContact O-CB 3.01Å; E192-K195 PolarHBondContact O-N 3.1Å; E192-K195 IonicContact OE1-NZ 3.79Å; E192-K195 PolarHBondContact OE1-NZ 2.75Å; E192-K195 IonicContact OE2-NZ 3.9Å; E192-L196 PolarHBondContact O-N 3.03Å
193K92.8Very high93.6Very high108 Ų10891 Ų9147%0.4745%0.453SS..Hα-helixtrans-59.7-42.9174.1-175.2179.9178.7-176.30111.3M189 E190 L196 L197M189-K193 WeakPolarHBondContact O-CB 3.46Å; M189-K193 PolarHBondContact O-N 3.45Å; E190-K193 PolarHBondContact O-N 3.28Å; E190-K193 IonicContact OE1-NZ 2.84Å; K193-L196 PolarHBondContact O-N 2.98Å; K193-L197 HydrophobicContact CG-CD1 4.48Å; K193-L197 WeakPolarHBondContact O-CG 3.39Å; K193-L197 PolarHBondContact O-N 3.47Å
194T93.1Very high93.8Very high70 Ų7092.2 Ų92.243%0.42946%0.461SS..Hα-helixtrans-64.4-42175.8-56.70000111.2E190 A191 E192 L196 L197 I198E190-T194 WeakPolarHBondContact O-CB 3.25Å; E190-T194 PolarHBondContact O-N 2.9Å; E190-T194 PolarHBondContact O-OG1 3.44Å; A191-T194 PolarHBondContact O-N 3.41Å; E192-T194 VanDerWaalsContact C-N 3.31Å; E192-T194 PolarHBondContact O-N 2.95Å; T194-L196 VanDerWaalsContact C-N 3.35Å; T194-L196 PolarHBondContact O-N 3.04Å; T194-L197 PolarHBondContact O-N 3.36Å; T194-I198 HydrophobicContact CG2-CD1 3.93Å; T194-I198 HydrophobicContact CG2-CG1 4.5Å; T194-I198 VanDerWaalsContact O-CG1 3.25Å; T194-I198 WeakPolarHBondContact O-CG1 3.23Å; T194-I198 PolarHBondContact O-N 3.32Å
195K96Very high93.9Very high119 Ų11990.2 Ų90.252%0.51746%0.461SS..Hα-helixtrans-60.5-42.6174.4-72.8172.2-171.2172.90112A191 E192 I198 A199A191-K195 VanDerWaalsContact O-CG 3.31Å; A191-K195 WeakPolarHBondContact O-CG 3.04Å; A191-K195 PolarHBondContact O-N 2.79Å; E192-K195 WeakPolarHBondContact O-CB 3.01Å; E192-K195 PolarHBondContact O-N 3.1Å; E192-K195 IonicContact OE1-NZ 3.79Å; E192-K195 PolarHBondContact OE1-NZ 2.75Å; E192-K195 IonicContact OE2-NZ 3.9Å; K195-I198 PolarHBondContact O-N 2.79Å; K195-A199 WeakPolarHBondContact O-CB 3.45Å; K195-A199 PolarHBondContact O-N 2.85Å
196L95.9Very high94.2Very high102 Ų10289.1 Ų89.153%0.53445%0.454SS..Hα-helixtrans-61.8-47.6176.8-179.964.5000111.1E192 K193 T194 I198 A199 E200E192-L196 PolarHBondContact O-N 3.03Å; K193-L196 PolarHBondContact O-N 2.98Å; T194-L196 VanDerWaalsContact C-N 3.35Å; T194-L196 PolarHBondContact O-N 3.04Å; L196-I198 VanDerWaalsContact C-N 3.31Å; L196-I198 PolarHBondContact O-N 2.92Å; L196-A199 PolarHBondContact O-N 3.24Å; L196-A199 VanDerWaalsContact O-N 3.14Å; L196-E200 WeakPolarHBondContact O-CG 3.35Å; L196-E200 PolarHBondContact O-N 2.81Å
197L95.3Very high94.4Very high88 Ų8892.2 Ų92.246%0.46147%0.47SS..Hα-helixtrans-60.1-41.6176.6-70171.3000111.7K193 T194 E200 Q201K193-L197 HydrophobicContact CG-CD1 4.48Å; K193-L197 WeakPolarHBondContact O-CG 3.39Å; K193-L197 PolarHBondContact O-N 3.47Å; T194-L197 PolarHBondContact O-N 3.36Å; L197-E200 PolarHBondContact O-N 2.76Å; L197-Q201 VanDerWaalsContact O-CG 3.24Å; L197-Q201 WeakPolarHBondContact O-CG 3.28Å; L197-Q201 PolarHBondContact O-N 3.12Å
198I96.6Very high94.6Very high107 Ų10795 Ų9555%0.54948%0.476SS..Hα-helixtrans-62.9-44175.1-68.7165.4000110.6T194 K195 L196 Q201 H202T194-I198 HydrophobicContact CG2-CD1 3.93Å; T194-I198 HydrophobicContact CG2-CG1 4.5Å; T194-I198 VanDerWaalsContact O-CG1 3.25Å; T194-I198 WeakPolarHBondContact O-CG1 3.23Å; T194-I198 PolarHBondContact O-N 3.32Å; K195-I198 PolarHBondContact O-N 2.79Å; L196-I198 VanDerWaalsContact C-N 3.31Å; L196-I198 PolarHBondContact O-N 2.92Å; I198-Q201 PolarHBondContact O-N 3.18Å; I198-H202 WeakPolarHBondContact O-CB 3.22Å; I198-H202 PolarHBondContact O-N 3.49Å
199A96.5Very high94.6Very high54 Ų5498.3 Ų98.345%0.44648%0.482SS..Hα-helixtrans-63.4-42.1178.700000112.1K195 L196 H202 Q203K195-A199 WeakPolarHBondContact O-CB 3.45Å; K195-A199 PolarHBondContact O-N 2.85Å; L196-A199 PolarHBondContact O-N 3.24Å; L196-A199 VanDerWaalsContact O-N 3.14Å; A199-H202 PolarHBondContact O-N 2.91Å; A199-Q203 WeakPolarHBondContact O-CB 3.22Å; A199-Q203 PolarHBondContact O-N 3.02Å
200E96.7Very high94.9Very high85 Ų8595.6 Ų95.640%0.39748%0.478SS..Hα-helixtrans-63.4-43.9175.1-73.7-178.8179.600112.3L196 L197 Q203 K204L196-E200 WeakPolarHBondContact O-CG 3.35Å; L196-E200 PolarHBondContact O-N 2.81Å; L197-E200 PolarHBondContact O-N 2.76Å; E200-Q203 PolarHBondContact O-N 3.27Å; E200-K204 WeakPolarHBondContact O-CG 3.49Å; E200-K204 PolarHBondContact O-N 3.02Å; E200-K204 VanDerWaalsContact O-N 3.07Å
201Q95.6Very high95.1Very high104 Ų10497 Ų9749%0.48648%0.484SS..Hα-helixtrans-66.6-39.8176.3-66.3-60.3-38.800111.2L197 I198 K204 L205L197-Q201 VanDerWaalsContact O-CG 3.24Å; L197-Q201 WeakPolarHBondContact O-CG 3.28Å; L197-Q201 PolarHBondContact O-N 3.12Å; I198-Q201 PolarHBondContact O-N 3.18Å; Q201-K204 PolarHBondContact O-N 2.88Å; Q201-L205 WeakPolarHBondContact O-CG 3.33Å; Q201-L205 PolarHBondContact O-N 2.81Å
202H96Very high95.2Very high109 Ų10997.8 Ų97.851%0.50548%0.484SS..Hα-helixtrans-64.1-41.4176.2-175.8-99.8000112I198 A199 K204 L205 I206I198-H202 WeakPolarHBondContact O-CB 3.22Å; I198-H202 PolarHBondContact O-N 3.49Å; A199-H202 PolarHBondContact O-N 2.91Å; H202-K204 PolarHBondContact O-N 3.47Å; H202-L205 WeakPolarHBondContact O-CB 2.94Å; H202-L205 PolarHBondContact O-N 3.36Å; H202-I206 WeakPolarHBondContact CE1-CD1 3.34Å; H202-I206 WeakPolarHBondContact ND1-CD1 3.19Å; H202-I206 WeakPolarHBondContact O-CG1 3.46Å; H202-I206 PolarHBondContact O-N 2.84Å
203Q94.4Very high95.2Very high114 Ų11499.3 Ų99.353%0.53349%0.492SS..Hα-helixtrans-59.7-46.4173.4-178.2178-9.400111.2A199 E200 L205 I206 E207A199-Q203 WeakPolarHBondContact O-CB 3.22Å; A199-Q203 PolarHBondContact O-N 3.02Å; E200-Q203 PolarHBondContact O-N 3.27Å; Q203-L205 VanDerWaalsContact C-N 3.28Å; Q203-L205 PolarHBondContact O-N 3.47Å; Q203-I206 PolarHBondContact O-N 3.38Å; Q203-E207 PolarHBondContact NE2-OE1 2.89Å; Q203-E207 WeakPolarHBondContact O-CG 3.43Å; Q203-E207 PolarHBondContact O-N 3.44Å
204K96.2Very high95.3Very high109 Ų109103.2 Ų103.247%0.47450%0.503SS..Hα-helixtrans-60.5-38175-72.8173.5-177.5169.70112.1E200 Q201 H202 R208E200-K204 WeakPolarHBondContact O-CG 3.49Å; E200-K204 PolarHBondContact O-N 3.02Å; E200-K204 VanDerWaalsContact O-N 3.07Å; Q201-K204 PolarHBondContact O-N 2.88Å; H202-K204 PolarHBondContact O-N 3.47Å; K204-R208 WeakPolarHBondContact O-CB 3.25Å; K204-R208 WeakPolarHBondContact O-CG 3.08Å; K204-R208 PolarHBondContact O-N 3.07Å
205L95.8Very high95.3Very high100 Ų100107.6 Ų107.652%0.52451%0.512SS..Hα-helixtrans-63.7-47.5175.4-73.7174000111.3Q201 H202 Q203 E207 R208 E209Q201-L205 WeakPolarHBondContact O-CG 3.33Å; Q201-L205 PolarHBondContact O-N 2.81Å; H202-L205 WeakPolarHBondContact O-CB 2.94Å; H202-L205 PolarHBondContact O-N 3.36Å; Q203-L205 VanDerWaalsContact C-N 3.28Å; Q203-L205 PolarHBondContact O-N 3.47Å; L205-E207 VanDerWaalsContact C-N 3.34Å; L205-E207 PolarHBondContact O-N 3Å; L205-R208 CarbonylContact O-C 3.53Å; L205-R208 PolarHBondContact O-N 3.14Å; L205-E209 WeakPolarHBondContact O-CB 3.47Å; L205-E209 VanDerWaalsContact O-CG 3.32Å; L205-E209 WeakPolarHBondContact O-CG 3.49Å; L205-E209 PolarHBondContact O-N 3.34Å
206I95.8Very high95.3Very high87 Ų87110.2 Ų110.245%0.44652%0.519SS..Hα-helixtrans-58.9-45.5176.9-68165.9000111.1H202 Q203 R208 E209 A210H202-I206 WeakPolarHBondContact CE1-CD1 3.34Å; H202-I206 WeakPolarHBondContact ND1-CD1 3.19Å; H202-I206 WeakPolarHBondContact O-CG1 3.46Å; H202-I206 PolarHBondContact O-N 2.84Å; Q203-I206 PolarHBondContact O-N 3.38Å; I206-R208 VanDerWaalsContact C-N 3.31Å; I206-R208 PolarHBondContact O-N 3.46Å; I206-E209 PolarHBondContact O-N 3.04Å; I206-A210 WeakPolarHBondContact O-CB 3.46Å; I206-A210 PolarHBondContact O-N 3.3Å
207E94.3Very high95.3Very high107 Ų107108.1 Ų108.150%0.552%0.516SS..Hα-helixtrans-58.9-43.9177.4-73.1173.1-171.600111.3Q203 L205 E211Q203-E207 PolarHBondContact NE2-OE1 2.89Å; Q203-E207 WeakPolarHBondContact O-CG 3.43Å; Q203-E207 PolarHBondContact O-N 3.44Å; L205-E207 VanDerWaalsContact C-N 3.34Å; L205-E207 PolarHBondContact O-N 3Å; E207-E211 WeakPolarHBondContact O-CG 3.4Å; E207-E211 PolarHBondContact O-N 3.25Å
208R94.8Very high95.3Very high158 Ų158107.7 Ų107.760%0.59651%0.513SS*.Hα-helixtrans-69.9-36.4177.2-69.5-62.5-174.1-161.8-0.3113.2K204 L205 I206 E211 T212K204-R208 WeakPolarHBondContact O-CB 3.25Å; K204-R208 WeakPolarHBondContact O-CG 3.08Å; K204-R208 PolarHBondContact O-N 3.07Å; L205-R208 CarbonylContact O-C 3.53Å; L205-R208 PolarHBondContact O-N 3.14Å; I206-R208 VanDerWaalsContact C-N 3.31Å; I206-R208 PolarHBondContact O-N 3.46Å; R208-E211 IonicContact CZ-OE2 2.75Å; R208-E211 IonicContact NH1-OE2 3.47Å; R208-E211 PolarHBondContact NH1-OE2 3.25Å; R208-T212 VanDerWaalsContact O-CB 3.28Å; R208-T212 WeakPolarHBondContact O-CB 3.38Å; R208-T212 PolarHBondContact O-N 2.79Å; R208-T212 PolarHBondContact O-OG1 3.39Å
209E94.7Very high95.2Very high123 Ų123107.8 Ų107.858%0.57551%0.513SS*.Hα-helixtrans-66.8-44176.2-76.9178.5172.800110.8L205 I206 E211 T212 E213L205-E209 WeakPolarHBondContact O-CB 3.47Å; L205-E209 VanDerWaalsContact O-CG 3.32Å; L205-E209 WeakPolarHBondContact O-CG 3.49Å; L205-E209 PolarHBondContact O-N 3.34Å; I206-E209 PolarHBondContact O-N 3.04Å; E209-E211 PolarHBondContact O-N 2.85Å; E209-T212 CarbonylContact O-C 3.57Å; E209-T212 WeakPolarHBondContact O-CB 3.39Å; E209-T212 PolarHBondContact O-N 3.26Å; E209-T212 VanDerWaalsContact O-N 3.12Å; E209-E213 WeakPolarHBondContact O-CB 3.3Å; E209-E213 PolarHBondContact O-N 2.03Å
210A95.4Very high95.1Very high54 Ų54111.1 Ų111.145%0.44652%0.52SS..Hα-helixtrans-62.9-41.7174.800000112.2I206 T212 E213 R214I206-A210 WeakPolarHBondContact O-CB 3.46Å; I206-A210 PolarHBondContact O-N 3.3Å; A210-T212 VanDerWaalsContact C-N 3.31Å; A210-T212 PolarHBondContact O-N 3.5Å; A210-E213 PolarHBondContact O-N 3.22Å; A210-R214 WeakPolarHBondContact O-CB 3.35Å; A210-R214 PolarHBondContact O-N 2.96Å
211E94.3Very high95Very high86 Ų86109.9 Ų109.940%0.40252%0.524SS..Hα-helixtrans-60.7-41.7171.3-77.2-175.1160.200111.7E207 R208 E209 R215E207-E211 WeakPolarHBondContact O-CG 3.4Å; E207-E211 PolarHBondContact O-N 3.25Å; R208-E211 IonicContact CZ-OE2 2.75Å; R208-E211 IonicContact NH1-OE2 3.47Å; R208-E211 PolarHBondContact NH1-OE2 3.25Å; E209-E211 PolarHBondContact O-N 2.85Å; E211-R215 WeakPolarHBondContact O-CG 3.3Å; E211-R215 PolarHBondContact O-N 3.18Å
212T94.1Very high95Very high61 Ų61111 Ų11137%0.37453%0.529SS..Hα-helixtrans-68-42.5-179.6-60.20000111.3R208 E209 A210 R215 R216R208-T212 VanDerWaalsContact O-CB 3.28Å; R208-T212 WeakPolarHBondContact O-CB 3.38Å; R208-T212 PolarHBondContact O-N 2.79Å; R208-T212 PolarHBondContact O-OG1 3.39Å; E209-T212 CarbonylContact O-C 3.57Å; E209-T212 WeakPolarHBondContact O-CB 3.39Å; E209-T212 PolarHBondContact O-N 3.26Å; E209-T212 VanDerWaalsContact O-N 3.12Å; A210-T212 VanDerWaalsContact C-N 3.31Å; A210-T212 PolarHBondContact O-N 3.5Å; T212-R215 PolarHBondContact O-N 2.88Å; T212-R216 WeakPolarHBondContact O-CB 3.3Å; T212-R216 WeakPolarHBondContact O-CG 3.41Å; T212-R216 PolarHBondContact O-N 3.36Å
213E95.1Very high95Very high141 Ų141112.4 Ų112.466%0.65953%0.534SS*.Hα-helixtrans-65.4-42.7176.8-171171.3-159.900111.2E209 A210 R215 R216 A217E209-E213 WeakPolarHBondContact O-CB 3.3Å; E209-E213 PolarHBondContact O-N 2.03Å; A210-E213 PolarHBondContact O-N 3.22Å; E213-R215 VanDerWaalsContact C-N 3.33Å; E213-R215 PolarHBondContact O-N 2.91Å; E213-R216 PolarHBondContact O-N 3.42Å; E213-A217 WeakPolarHBondContact O-CB 3.13Å; E213-A217 PolarHBondContact O-N 2.94Å
214R93.9Very high95Very high190 Ų190112.3 Ų112.372%0.71754%0.537SS*.Hα-helixtrans-58.9-43.9173.2-173.6178.5-178.6176.91.5111.9A210 A217 I218A210-R214 WeakPolarHBondContact O-CB 3.35Å; A210-R214 PolarHBondContact O-N 2.96Å; R214-A217 PolarHBondContact O-N 3.02Å; R214-I218 HydrophobicContact CG-CD1 4.25Å; R214-I218 VanDerWaalsContact O-CG1 3.31Å; R214-I218 WeakPolarHBondContact O-CG1 3.39Å; R214-I218 PolarHBondContact O-N 3.42Å; R214-I218 VanDerWaalsContact O-N 3.07Å
215R94.9Very high94.9Very high162 Ų162109.8 Ų109.861%0.61154%0.536SS*.Hα-helixtrans-65.4-41.8175.9-73.8178.1-173.61785111.8E211 T212 E213 I218 I219E211-R215 WeakPolarHBondContact O-CG 3.3Å; E211-R215 PolarHBondContact O-N 3.18Å; T212-R215 PolarHBondContact O-N 2.88Å; E213-R215 VanDerWaalsContact C-N 3.33Å; E213-R215 PolarHBondContact O-N 2.91Å; R215-I218 PolarHBondContact O-N 3.37Å; R215-I219 WeakPolarHBondContact O-CB 3.44Å; R215-I219 WeakPolarHBondContact O-CD1 3.29Å; R215-I219 WeakPolarHBondContact O-CG1 3.44Å; R215-I219 PolarHBondContact O-N 2.86Å
216R95.2Very high94.9Very high174 Ų174111.1 Ų111.166%0.65754%0.54SS*.Hα-helixtrans-60.1-44.9175.5-76.2176.2-177.2175.83.5111.4T212 E213 I218 I219 E220T212-R216 WeakPolarHBondContact O-CB 3.3Å; T212-R216 WeakPolarHBondContact O-CG 3.41Å; T212-R216 PolarHBondContact O-N 3.36Å; E213-R216 PolarHBondContact O-N 3.42Å; R216-I218 PolarHBondContact O-N 3.43Å; R216-I219 PolarHBondContact O-N 2.98Å; R216-E220 WeakPolarHBondContact O-CB 3.44Å; R216-E220 PolarHBondContact O-N 2.81Å
217A95.3Very high94.8Very high57 Ų57110.1 Ų110.147%0.47154%0.537SS..Hα-helixtrans-63.1-40.3177.800000112.5E213 R214 E220 A221E213-A217 WeakPolarHBondContact O-CB 3.13Å; E213-A217 PolarHBondContact O-N 2.94Å; R214-A217 PolarHBondContact O-N 3.02Å; A217-E220 PolarHBondContact O-N 2.87Å; A217-A221 WeakPolarHBondContact O-CB 3.2Å; A217-A221 PolarHBondContact O-N 3.46Å
218I95Very high94.8Very high80 Ų80108.1 Ų108.141%0.4154%0.535SS..Hα-helixtrans-64-49174.6-67.7165.2000110.4R214 R215 R216 E220 A221 E222R214-I218 HydrophobicContact CG-CD1 4.25Å; R214-I218 VanDerWaalsContact O-CG1 3.31Å; R214-I218 WeakPolarHBondContact O-CG1 3.39Å; R214-I218 PolarHBondContact O-N 3.42Å; R214-I218 VanDerWaalsContact O-N 3.07Å; R215-I218 PolarHBondContact O-N 3.37Å; R216-I218 PolarHBondContact O-N 3.43Å; I218-E220 VanDerWaalsContact C-N 3.28Å; I218-E220 PolarHBondContact O-N 2.88Å; I218-A221 PolarHBondContact O-N 2.73Å; I218-E222 HydrophobicContact CG2-CG 4.33Å; I218-E222 WeakPolarHBondContact O-CB 3.28Å; I218-E222 WeakPolarHBondContact O-CG 3.46Å; I218-E222 PolarHBondContact O-N 3.44Å
219I94.4Very high94.8Very high108 Ų108102.2 Ų102.255%0.55452%0.52SS*.Hα-helixtrans-60.3-39.9179.3-68.9164.8000110.8R215 R216 K223R215-I219 WeakPolarHBondContact O-CB 3.44Å; R215-I219 WeakPolarHBondContact O-CD1 3.29Å; R215-I219 WeakPolarHBondContact O-CG1 3.44Å; R215-I219 PolarHBondContact O-N 2.86Å; R216-I219 PolarHBondContact O-N 2.98Å; I219-K223 WeakPolarHBondContact O-CB 3.03Å; I219-K223 PolarHBondContact O-N 3.24Å
220E95.2Very high94.8Very high125 Ų125100.7 Ų100.758%0.58452%0.515SS*.Hα-helixtrans-69-42.1178.3-172.9167.9-161.400112.2R216 A217 I218 K223 L224R216-E220 WeakPolarHBondContact O-CB 3.44Å; R216-E220 PolarHBondContact O-N 2.81Å; A217-E220 PolarHBondContact O-N 2.87Å; I218-E220 VanDerWaalsContact C-N 3.28Å; I218-E220 PolarHBondContact O-N 2.88Å; E220-K223 PolarHBondContact O-N 2.81Å; E220-L224 HydrophobicContact CG-CD1 4.44Å; E220-L224 WeakPolarHBondContact O-CB 3.41Å; E220-L224 WeakPolarHBondContact O-CG 3.17Å; E220-L224 PolarHBondContact O-N 2.84Å
221A94.3Very high94.7Very high59 Ų59103.2 Ų103.249%0.48852%0.517SS..Hα-helixtrans-64.1-43.617500000112.2A217 I218 L224 A225A217-A221 WeakPolarHBondContact O-CB 3.2Å; A217-A221 PolarHBondContact O-N 3.46Å; I218-A221 PolarHBondContact O-N 2.73Å; A221-L224 PolarHBondContact O-N 3.49Å; A221-A225 WeakPolarHBondContact O-CB 3.18Å; A221-A225 PolarHBondContact O-N 3.5Å
222E95.4Very high94.7Very high127 Ų127107 Ų10759%0.59353%0.528SS*.Hα-helixtrans-62.9-44.9175-75178.7171.400111.3I218 L224 A225 E226I218-E222 HydrophobicContact CG2-CG 4.33Å; I218-E222 WeakPolarHBondContact O-CB 3.28Å; I218-E222 WeakPolarHBondContact O-CG 3.46Å; I218-E222 PolarHBondContact O-N 3.44Å; E222-L224 PolarHBondContact O-N 3.35Å; E222-A225 PolarHBondContact O-N 3.26Å; E222-E226 WeakPolarHBondContact O-CB 3.41Å; E222-E226 PolarHBondContact O-N 3.06Å
223K95.7Very high94.7Very high138 Ų138111.7 Ų111.760%0.654%0.539SS*.Hα-helixtrans-58.7-45.9175.9-179.1-174.9175.2-172.80111.4I219 E220 E226 V227I219-K223 WeakPolarHBondContact O-CB 3.03Å; I219-K223 PolarHBondContact O-N 3.24Å; E220-K223 PolarHBondContact O-N 2.81Å; K223-E226 PolarHBondContact O-N 3.38Å; K223-V227 HydrophobicContact CG-CG2 4.49Å; K223-V227 WeakPolarHBondContact O-CB 3.27Å; K223-V227 WeakPolarHBondContact O-CG2 3.32Å; K223-V227 PolarHBondContact O-N 3.35Å
224L95.7Very high94.6Very high113 Ų113107.9 Ų107.959%0.59253%0.532SS*.Hα-helixtrans-64.8-41.8177.8-73.5172.2000111.8E220 A221 E222 V227 S228E220-L224 HydrophobicContact CG-CD1 4.44Å; E220-L224 WeakPolarHBondContact O-CB 3.41Å; E220-L224 WeakPolarHBondContact O-CG 3.17Å; E220-L224 PolarHBondContact O-N 2.84Å; A221-L224 PolarHBondContact O-N 3.49Å; E222-L224 PolarHBondContact O-N 3.35Å; L224-V227 PolarHBondContact O-N 2.98Å; L224-S228 WeakPolarHBondContact O-CB 3.27Å; L224-S228 PolarHBondContact O-N 3.44Å; L224-S228 PolarHBondContact O-OG 3.3Å
225A94.3Very high94.7Very high55 Ų55104.6 Ų104.646%0.45552%0.522SS..Hα-helixtrans-61.8-44.6175.800000111.5A221 E222 S228 A229A221-A225 WeakPolarHBondContact O-CB 3.18Å; A221-A225 PolarHBondContact O-N 3.5Å; E222-A225 PolarHBondContact O-N 3.26Å; A225-S228 PolarHBondContact O-N 2.97Å; A225-S228 PolarHBondContact O-OG 3.38Å; A225-A229 WeakPolarHBondContact O-CB 3.3Å; A225-A229 PolarHBondContact O-N 2.95Å
226E94.7Very high94.6Very high129 Ų129100.2 Ų100.260%0.60351%0.511SS*.Hα-helixtrans-64.9-46.1178.1-171.7175.6-16700112E222 K223 S228 A229 I230E222-E226 WeakPolarHBondContact O-CB 3.41Å; E222-E226 PolarHBondContact O-N 3.06Å; K223-E226 PolarHBondContact O-N 3.38Å; E226-S228 VanDerWaalsContact C-N 3.33Å; E226-S228 PolarHBondContact O-N 3.37Å; E226-A229 PolarHBondContact O-N 2.88Å; E226-I230 HydrophobicContact CG-CD1 4.17Å; E226-I230 WeakPolarHBondContact O-CG1 3.49Å; E226-I230 PolarHBondContact O-N 3.46Å
227V94.3Very high94.5Very high66 Ų6695.4 Ų95.440%0.450%0.5SS..Hα-helixtrans-59.2-45.7175.2171.30000110.4K223 L224 A229 I230 E231K223-V227 HydrophobicContact CG-CG2 4.49Å; K223-V227 WeakPolarHBondContact O-CB 3.27Å; K223-V227 WeakPolarHBondContact O-CG2 3.32Å; K223-V227 PolarHBondContact O-N 3.35Å; L224-V227 PolarHBondContact O-N 2.98Å; V227-A229 VanDerWaalsContact C-N 3.31Å; V227-A229 PolarHBondContact O-N 2.88Å; V227-I230 PolarHBondContact O-N 3.18Å; V227-E231 HydrophobicContact CG1-CG 4.5Å; V227-E231 WeakPolarHBondContact O-CG 2.71Å; V227-E231 PolarHBondContact O-N 3.13Å
228S93.2Very high94.5Very high65 Ų6595.4 Ų95.446%0.45550%0.5SS..Hα-helixtrans-62.9-36.1177.877.30000112.8L224 A225 E226 E231 W232L224-S228 WeakPolarHBondContact O-CB 3.27Å; L224-S228 PolarHBondContact O-N 3.44Å; L224-S228 PolarHBondContact O-OG 3.3Å; A225-S228 PolarHBondContact O-N 2.97Å; A225-S228 PolarHBondContact O-OG 3.38Å; E226-S228 VanDerWaalsContact C-N 3.33Å; E226-S228 PolarHBondContact O-N 3.37Å; S228-E231 PolarHBondContact O-N 2.98Å; S228-W232 WeakPolarHBondContact O-CB 3.39Å; S228-W232 PolarHBondContact O-N 3.12Å
229A95.9Very high94.4Very high33 Ų3396.6 Ų96.627%0.27350%0.504SS..Hα-helixtrans-69.3-39.5176.400000111.7A225 E226 V227 W232 R233A225-A229 WeakPolarHBondContact O-CB 3.3Å; A225-A229 PolarHBondContact O-N 2.95Å; E226-A229 PolarHBondContact O-N 2.88Å; V227-A229 VanDerWaalsContact C-N 3.31Å; V227-A229 PolarHBondContact O-N 2.88Å; A229-W232 PolarHBondContact O-N 3.39Å; A229-R233 WeakPolarHBondContact O-CB 3.13Å; A229-R233 VanDerWaalsContact O-CG 3.25Å; A229-R233 WeakPolarHBondContact O-CG 3.35Å; A229-R233 PolarHBondContact O-N 3.29Å
230I93.8Very high94.4Very high92 Ų9296.5 Ų96.547%0.47250%0.502SS..Hα-helixtrans-63.6-46.9174.1-67.2166.6000110.1E226 V227 W232 R233 A234E226-I230 HydrophobicContact CG-CD1 4.17Å; E226-I230 WeakPolarHBondContact O-CG1 3.49Å; E226-I230 PolarHBondContact O-N 3.46Å; V227-I230 PolarHBondContact O-N 3.18Å; I230-W232 PolarHBondContact O-N 3.01Å; I230-R233 PolarHBondContact O-N 3.46Å; I230-A234 WeakPolarHBondContact O-CB 3.37Å; I230-A234 PolarHBondContact O-N 3.07Å
231E94Very high94.2Very high106 Ų10695.6 Ų95.650%0.49550%0.497SS..Hα-helixtrans-61.3-42.2176.9-74-176.6-178.500112.3V227 S228 A234 K235V227-E231 HydrophobicContact CG1-CG 4.5Å; V227-E231 WeakPolarHBondContact O-CG 2.71Å; V227-E231 PolarHBondContact O-N 3.13Å; S228-E231 PolarHBondContact O-N 2.98Å; E231-A234 PolarHBondContact O-N 3.31Å; E231-K235 WeakPolarHBondContact O-CG 3.19Å; E231-K235 PolarHBondContact O-N 3.46Å
232W94Very high94.1Very high167 Ų16799.3 Ų99.363%0.63351%0.505SS*.Hα-helixtrans-64.2-44.6177-174.7-101.4000111.9S228 A229 I230 A234 K235 L236S228-W232 WeakPolarHBondContact O-CB 3.39Å; S228-W232 PolarHBondContact O-N 3.12Å; A229-W232 PolarHBondContact O-N 3.39Å; I230-W232 PolarHBondContact O-N 3.01Å; W232-A234 VanDerWaalsContact C-N 3.34Å; W232-A234 PolarHBondContact O-N 3.48Å; W232-K235 PolarHBondContact O-N 2.91Å; W232-L236 PolarHBondContact O-N 3.28Å
233R94.1Very high94Very high159 Ų159101.2 Ų101.260%0.651%0.506SS*.Hα-helixtrans-60.2-43.8174-73176.6-160.4136.52111.3A229 I230 K235 L236 V237A229-R233 WeakPolarHBondContact O-CB 3.13Å; A229-R233 VanDerWaalsContact O-CG 3.25Å; A229-R233 WeakPolarHBondContact O-CG 3.35Å; A229-R233 PolarHBondContact O-N 3.29Å; I230-R233 PolarHBondContact O-N 3.46Å; R233-K235 VanDerWaalsContact C-N 3.32Å; R233-K235 PolarHBondContact O-N 3.21Å; R233-L236 PolarHBondContact O-N 3.09Å; R233-V237 WeakPolarHBondContact O-CB 3.45Å; R233-V237 VanDerWaalsContact O-CG2 3.29Å; R233-V237 WeakPolarHBondContact O-CG2 3.24Å; R233-V237 PolarHBondContact O-N 2.74Å
234A94.3Very high93.9Very high61 Ų61100.1 Ų100.150%0.50450%0.501SS..Hα-helixtrans-60.5-41.2176.700000111.8I230 E231 W232 A238I230-A234 WeakPolarHBondContact O-CB 3.37Å; I230-A234 PolarHBondContact O-N 3.07Å; E231-A234 PolarHBondContact O-N 3.31Å; W232-A234 VanDerWaalsContact C-N 3.34Å; W232-A234 PolarHBondContact O-N 3.48Å; A234-A238 WeakPolarHBondContact O-CB 3.31Å; A234-A238 PolarHBondContact O-N 2.84Å
235K94.9Very high93.6Very high120 Ų120100.4 Ų100.452%0.52250%0.503SS..Hα-helixtrans-65.3-44.1175.1-74.1173.5-176.9170.30112.8E231 W232 R233 A238 Q239E231-K235 WeakPolarHBondContact O-CG 3.19Å; E231-K235 PolarHBondContact O-N 3.46Å; W232-K235 PolarHBondContact O-N 2.91Å; R233-K235 VanDerWaalsContact C-N 3.32Å; R233-K235 PolarHBondContact O-N 3.21Å; K235-A238 PolarHBondContact O-N 3.03Å; K235-Q239 WeakPolarHBondContact O-CG 3.42Å; K235-Q239 PolarHBondContact O-N 2.9Å
236L93Very high93.5Very high71 Ų71100.5 Ų100.537%0.37250%0.5SS..Hα-helixtrans-61-47.2176.6-77.1176.6000111.5W232 R233 A238 Q239 E240W232-L236 PolarHBondContact O-N 3.28Å; R233-L236 PolarHBondContact O-N 3.09Å; L236-A238 VanDerWaalsContact C-N 3.32Å; L236-A238 PolarHBondContact O-N 3.16Å; L236-Q239 PolarHBondContact O-N 2.93Å; L236-E240 PolarHBondContact O-N 3.42Å
237V94.1Very high93.4Very high72 Ų72100.5 Ų100.544%0.43650%0.5SS..Hα-helixtrans-60.6-43.1176.9170.30000110.6R233 E240 H241R233-V237 WeakPolarHBondContact O-CB 3.45Å; R233-V237 VanDerWaalsContact O-CG2 3.29Å; R233-V237 WeakPolarHBondContact O-CG2 3.24Å; R233-V237 PolarHBondContact O-N 2.74Å; V237-E240 PolarHBondContact O-N 2.79Å; V237-H241 VanDerWaalsContact CG1-CD2 3.46Å; V237-H241 WeakPolarHBondContact CG1-CD2 3.25Å; V237-H241 PolarHBondContact O-CD2 2.91Å; V237-H241 PolarHBondContact O-N 2.93Å
238A93.9Very high93.3Very high57 Ų57101.8 Ų101.847%0.47151%0.508SS..Hα-helixtrans-61-44.8175.900000112.6A234 K235 L236 H241 E242A234-A238 WeakPolarHBondContact O-CB 3.31Å; A234-A238 PolarHBondContact O-N 2.84Å; K235-A238 PolarHBondContact O-N 3.03Å; L236-A238 VanDerWaalsContact C-N 3.32Å; L236-A238 PolarHBondContact O-N 3.16Å; A238-H241 PolarHBondContact O-N 3.14Å; A238-E242 PolarHBondContact O-N 3.41Å
239Q93.7Very high93.3Very high105 Ų105101.1 Ų101.149%0.49151%0.506SS..Hα-helixtrans-65.3-39176.9-74.6-176.4-800112.6K235 L236 E242 R243K235-Q239 WeakPolarHBondContact O-CG 3.42Å; K235-Q239 PolarHBondContact O-N 2.9Å; L236-Q239 PolarHBondContact O-N 2.93Å; Q239-E242 PolarHBondContact O-N 3.42Å; Q239-R243 WeakPolarHBondContact O-CG 3.18Å; Q239-R243 PolarHBondContact O-N 2.67Å
240E93.4Very high93.1Very high106 Ų106104.4 Ų104.450%0.49552%0.519SS..Hα-helixtrans-64.6-40.5174.2-76.7-175.6-176.100111.9L236 V237 E242 R243 K244L236-E240 PolarHBondContact O-N 3.42Å; V237-E240 PolarHBondContact O-N 2.79Å; E240-E242 VanDerWaalsContact C-N 3.35Å; E240-R243 PolarHBondContact O-N 3.38Å; E240-K244 WeakPolarHBondContact O-CG 3.48Å; E240-K244 PolarHBondContact O-N 3.19Å
241H91.7Very high93.1Very high107 Ų107102.9 Ų102.950%0.49552%0.52SS..Hα-helixtrans-63.3-42173.9-78.1-61.7000111.6V237 A238 K244 I245V237-H241 VanDerWaalsContact CG1-CD2 3.46Å; V237-H241 WeakPolarHBondContact CG1-CD2 3.25Å; V237-H241 PolarHBondContact O-CD2 2.91Å; V237-H241 PolarHBondContact O-N 2.93Å; A238-H241 PolarHBondContact O-N 3.14Å; H241-K244 PolarHBondContact O-N 2.78Å; H241-I245 VanDerWaalsContact O-CG1 3.25Å; H241-I245 WeakPolarHBondContact O-CG1 3.5Å; H241-I245 PolarHBondContact O-N 2.97Å
242E93Very high93.1Very high137 Ų137101.9 Ų101.964%0.6452%0.522SS*.Hα-helixtrans-61-45176.3-170.8172.6-166.400111.7A238 Q239 E240 K244 I245 S246A238-E242 PolarHBondContact O-N 3.41Å; Q239-E242 PolarHBondContact O-N 3.42Å; E240-E242 VanDerWaalsContact C-N 3.35Å; E242-K244 PolarHBondContact O-N 3.43Å; E242-I245 PolarHBondContact O-N 3.13Å; E242-S246 PolarHBondContact O-N 2.66Å; E242-S246 PolarHBondContact O-OG 3.41Å
243R92.4Very high93Very high166 Ų166100.5 Ų100.563%0.62652%0.522SS*.Hα-helixtrans-59.5-44.7173.9-73.1-179.4-176.3174.22.8112.5Q239 E240 I245 S246 E247Q239-R243 WeakPolarHBondContact O-CG 3.18Å; Q239-R243 PolarHBondContact O-N 2.67Å; E240-R243 PolarHBondContact O-N 3.38Å; R243-I245 VanDerWaalsContact C-N 3.32Å; R243-I245 PolarHBondContact O-N 2.93Å; R243-S246 WeakPolarHBondContact CA-OG 3.34Å; R243-S246 PolarHBondContact O-N 3.24Å; R243-S246 PolarHBondContact O-OG 3.46Å; R243-E247 WeakPolarHBondContact O-CG 3.27Å; R243-E247 PolarHBondContact O-N 3.03Å
244K93.6Very high93Very high115 Ų11597.4 Ų97.450%0.552%0.517SS..Hα-helixtrans-63.1-39.1176.7-73.1175.8-172.91720111.6E240 H241 E242 E247 V248E240-K244 WeakPolarHBondContact O-CG 3.48Å; E240-K244 PolarHBondContact O-N 3.19Å; H241-K244 PolarHBondContact O-N 2.78Å; E242-K244 PolarHBondContact O-N 3.43Å; K244-E247 PolarHBondContact O-N 3.11Å; K244-V248 WeakPolarHBondContact O-CB 3.39Å; K244-V248 WeakPolarHBondContact O-CG2 3.43Å; K244-V248 PolarHBondContact O-N 3.28Å
245I90.4Very high92.9Very high120 Ų12097.2 Ų97.262%0.61552%0.516SS*.Hα-helixtrans-63.6-44.5176.3-69.4164.3000110.2H241 E242 R243 V248 A249H241-I245 VanDerWaalsContact O-CG1 3.25Å; H241-I245 WeakPolarHBondContact O-CG1 3.5Å; H241-I245 PolarHBondContact O-N 2.97Å; E242-I245 PolarHBondContact O-N 3.13Å; R243-I245 VanDerWaalsContact C-N 3.32Å; R243-I245 PolarHBondContact O-N 2.93Å; I245-V248 PolarHBondContact O-N 2.96Å; I245-A249 WeakPolarHBondContact O-CB 3.28Å; I245-A249 PolarHBondContact O-N 3.29Å
246S91.5Very high92.8Very high57 Ų57100.2 Ų100.240%0.39952%0.524SS..Hα-helixtrans-64.6-43.217756.50000112.4E242 R243 V248 A249 D250E242-S246 PolarHBondContact O-N 2.66Å; E242-S246 PolarHBondContact O-OG 3.41Å; R243-S246 WeakPolarHBondContact CA-OG 3.34Å; R243-S246 PolarHBondContact O-N 3.24Å; R243-S246 PolarHBondContact O-OG 3.46Å; S246-V248 VanDerWaalsContact C-N 3.35Å; S246-V248 PolarHBondContact O-N 3.39Å; S246-A249 PolarHBondContact O-N 3.5Å; S246-D250 WeakPolarHBondContact O-CB 3.45Å; S246-D250 PolarHBondContact O-N 3.25Å
247E93.2Very high92.8Very high128 Ų12899.6 Ų99.660%0.59853%0.525SS*.Hα-helixtrans-61.8-42.6177.3-74.1172.7-178.400111.9R243 K244 A251R243-E247 WeakPolarHBondContact O-CG 3.27Å; R243-E247 PolarHBondContact O-N 3.03Å; K244-E247 PolarHBondContact O-N 3.11Å; E247-A251 VanDerWaalsContact O-CB 3.29Å; E247-A251 WeakPolarHBondContact O-CB 3.1Å; E247-A251 PolarHBondContact O-N 3.28Å
248V92.2Very high92.8Very high94 Ų94101.7 Ų101.757%0.5753%0.528SS*.Hα-helixtrans-65.3-40.9175.3171.60000110.7K244 I245 S246 T252K244-V248 WeakPolarHBondContact O-CB 3.39Å; K244-V248 WeakPolarHBondContact O-CG2 3.43Å; K244-V248 PolarHBondContact O-N 3.28Å; I245-V248 PolarHBondContact O-N 2.96Å; S246-V248 VanDerWaalsContact C-N 3.35Å; S246-V248 PolarHBondContact O-N 3.39Å; V248-T252 VanDerWaalsContact O-CB 3.29Å; V248-T252 WeakPolarHBondContact O-CB 3.41Å; V248-T252 PolarHBondContact O-N 3.12Å; V248-T252 PolarHBondContact O-OG1 3.34Å
249A92.1Very high92.7Very high50 Ų50101.8 Ų101.841%0.41353%0.529SS..Hα-helixtrans-63.8-46177.700000111.8I245 S246 T252 Q253I245-A249 WeakPolarHBondContact O-CB 3.28Å; I245-A249 PolarHBondContact O-N 3.29Å; S246-A249 PolarHBondContact O-N 3.5Å; A249-T252 WeakPolarHBondContact O-CB 3.06Å; A249-T252 PolarHBondContact O-N 2.95Å; A249-Q253 WeakPolarHBondContact O-CB 3.37Å; A249-Q253 PolarHBondContact O-N 2.82Å
250D92.8Very high92.7Very high102 Ų102101.6 Ų101.655%0.54553%0.531SS..Hα-helixtrans-62.7-45.3177.5-71.6-16.1000111.3S246 T252 Q253 L254S246-D250 WeakPolarHBondContact O-CB 3.45Å; S246-D250 PolarHBondContact O-N 3.25Å; D250-T252 VanDerWaalsContact C-N 3.31Å; D250-T252 PolarHBondContact O-N 2.99Å; D250-Q253 PolarHBondContact O-N 3.49Å; D250-L254 WeakPolarHBondContact O-CB 3.43Å; D250-L254 PolarHBondContact O-N 3.22Å
251A93.7Very high92.6Very high61 Ų61100.2 Ų100.250%0.50453%0.53SS..Hα-helixtrans-61.5-40.4175.200000111.7E247 A255E247-A251 VanDerWaalsContact O-CB 3.29Å; E247-A251 WeakPolarHBondContact O-CB 3.1Å; E247-A251 PolarHBondContact O-N 3.28Å; A251-A255 VanDerWaalsContact O-CB 3.27Å; A251-A255 WeakPolarHBondContact O-CB 3.21Å; A251-A255 PolarHBondContact O-N 2.89Å
252T92.1Very high92.6Very high85 Ų85100 Ų10052%0.52153%0.532SS..Hα-helixtrans-66.5-41.4177.1-56.40000111.2V248 A249 D250 R256V248-T252 VanDerWaalsContact O-CB 3.29Å; V248-T252 WeakPolarHBondContact O-CB 3.41Å; V248-T252 PolarHBondContact O-N 3.12Å; V248-T252 PolarHBondContact O-OG1 3.34Å; A249-T252 WeakPolarHBondContact O-CB 3.06Å; A249-T252 PolarHBondContact O-N 2.95Å; D250-T252 VanDerWaalsContact C-N 3.31Å; D250-T252 PolarHBondContact O-N 2.99Å; T252-R256 VanDerWaalsContact O-CB 3.27Å; T252-R256 WeakPolarHBondContact O-CB 3.48Å; T252-R256 PolarHBondContact O-N 2.86Å
253Q92.9Very high92.6Very high138 Ų13896.2 Ų96.265%0.64553%0.525SS*.Hα-helixtrans-66.4-43.9177.5-176.4173.4-6.100111.5A249 D250 R256 S257A249-Q253 WeakPolarHBondContact O-CB 3.37Å; A249-Q253 PolarHBondContact O-N 2.82Å; D250-Q253 PolarHBondContact O-N 3.49Å; Q253-R256 PolarHBondContact O-N 2.88Å; Q253-S257 PolarHBondContact O-N 3.17Å; Q253-S257 PolarHBondContact O-OG 3.33Å
254L93.5Very high92.6Very high93 Ų9394.8 Ų94.849%0.48753%0.525SS..Hα-helixtrans-65.8-40.2177-176.8132.3000112D250 R256 S257 K258D250-L254 WeakPolarHBondContact O-CB 3.43Å; D250-L254 PolarHBondContact O-N 3.22Å; L254-R256 VanDerWaalsContact C-N 3.34Å; L254-S257 PolarHBondContact O-OG 2.89Å; L254-K258 HydrophobicContact CD2-CD 3.99Å; L254-K258 WeakPolarHBondContact O-CB 3.35Å; L254-K258 WeakPolarHBondContact O-CG 3.32Å; L254-K258 PolarHBondContact O-N 2.93Å
255A93Very high92.5Very high58 Ų5897.1 Ų97.148%0.47953%0.532SS..Hα-helixtrans-63.2-41.3172.800000111.4A251 A259A251-A255 VanDerWaalsContact O-CB 3.27Å; A251-A255 WeakPolarHBondContact O-CB 3.21Å; A251-A255 PolarHBondContact O-N 2.89Å; A255-A259 WeakPolarHBondContact O-CB 3.37Å; A255-A259 PolarHBondContact O-N 3.29Å
256R93.2Very high92.5Very high183 Ų18398.1 Ų98.169%0.69153%0.529SS*.Hα-helixtrans-65.6-43.7177-174.5176.7-178.4169.60.8112.3T252 Q253 L254 A259 L260T252-R256 VanDerWaalsContact O-CB 3.27Å; T252-R256 WeakPolarHBondContact O-CB 3.48Å; T252-R256 PolarHBondContact O-N 2.86Å; Q253-R256 PolarHBondContact O-N 2.88Å; L254-R256 VanDerWaalsContact C-N 3.34Å; R256-A259 PolarHBondContact O-N 2.94Å; R256-L260 HydrophobicContact CG-CD1 4.44Å; R256-L260 WeakPolarHBondContact O-CG 3.28Å; R256-L260 PolarHBondContact O-N 2.97Å
257S91.8Very high92.6Very high58 Ų58103.6 Ų103.641%0.40654%0.541SS..Hα-helixtrans-65.2-43.2178.166.60000111.2Q253 L254 L260 T261Q253-S257 PolarHBondContact O-N 3.17Å; Q253-S257 PolarHBondContact O-OG 3.33Å; L254-S257 PolarHBondContact O-OG 2.89Å; S257-L260 PolarHBondContact O-N 3.42Å; S257-T261 WeakPolarHBondContact O-CG2 3.47Å; S257-T261 PolarHBondContact O-N 3.41Å; S257-T261 PolarHBondContact O-OG1 2.85Å
258K93.9Very high92.5Very high115 Ų115100.1 Ų100.150%0.553%0.534SS..Hα-helixtrans-60.6-47174.6-76.3-179.8176.7-177.80112.1L254 L260 T261 D262L254-K258 HydrophobicContact CD2-CD 3.99Å; L254-K258 WeakPolarHBondContact O-CB 3.35Å; L254-K258 WeakPolarHBondContact O-CG 3.32Å; L254-K258 PolarHBondContact O-N 2.93Å; K258-L260 VanDerWaalsContact C-N 3.27Å; K258-L260 PolarHBondContact O-N 3.03Å; K258-T261 WeakPolarHBondContact CA-OG1 3.49Å; K258-T261 PolarHBondContact O-N 3.14Å; K258-T261 PolarHBondContact O-OG1 2.86Å; K258-D262 VanDerWaalsContact O-CB 3.3Å; K258-D262 WeakPolarHBondContact O-CB 3.36Å; K258-D262 PolarHBondContact O-N 3.2Å
259A92.5Very high92.5Very high59 Ų5998.8 Ų98.849%0.48852%0.523SS..Hα-helixtrans-60.4-37.117800000112.4A255 R256 A263A255-A259 WeakPolarHBondContact O-CB 3.37Å; A255-A259 PolarHBondContact O-N 3.29Å; R256-A259 PolarHBondContact O-N 2.94Å; A259-A263 VanDerWaalsContact O-CB 3.26Å; A259-A263 WeakPolarHBondContact O-CB 3.48Å; A259-A263 PolarHBondContact O-N 3.47Å
260L94.5Very high92.5Very high102 Ų102100.3 Ų100.353%0.53452%0.52SS..Hα-helixtrans-67.7-47.9174.3-72.7171.8000111.8R256 S257 K258 D262 A263 E264R256-L260 HydrophobicContact CG-CD1 4.44Å; R256-L260 WeakPolarHBondContact O-CG 3.28Å; R256-L260 PolarHBondContact O-N 2.97Å; S257-L260 PolarHBondContact O-N 3.42Å; K258-L260 VanDerWaalsContact C-N 3.27Å; K258-L260 PolarHBondContact O-N 3.03Å; L260-D262 VanDerWaalsContact C-N 3.32Å; L260-D262 PolarHBondContact O-N 2.95Å; L260-A263 PolarHBondContact O-N 2.82Å; L260-E264 WeakPolarHBondContact O-CG 3.47Å; L260-E264 PolarHBondContact O-N 3.32Å
261T89.9Confident92.3Very high76 Ų76100.3 Ų100.347%0.46652%0.517SS..Hα-helixtrans-64.1-37.6178.453.90000112.2S257 K258 E264 Y265S257-T261 WeakPolarHBondContact O-CG2 3.47Å; S257-T261 PolarHBondContact O-N 3.41Å; S257-T261 PolarHBondContact O-OG1 2.85Å; K258-T261 WeakPolarHBondContact CA-OG1 3.49Å; K258-T261 PolarHBondContact O-N 3.14Å; K258-T261 PolarHBondContact O-OG1 2.86Å; T261-E264 PolarHBondContact O-N 3.17Å; T261-Y265 VanDerWaalsContact O-CB 3.32Å; T261-Y265 WeakPolarHBondContact O-CB 3.38Å; T261-Y265 PolarHBondContact O-N 2.98Å
262D93.3Very high92Very high103 Ų103100.3 Ų100.355%0.55152%0.516SS*.Hα-helixtrans-68-39.3176.9-68.9-15.2000110.9K258 L260 Y266K258-D262 VanDerWaalsContact O-CB 3.3Å; K258-D262 WeakPolarHBondContact O-CB 3.36Å; K258-D262 PolarHBondContact O-N 3.2Å; L260-D262 VanDerWaalsContact C-N 3.32Å; L260-D262 PolarHBondContact O-N 2.95Å; D262-Y266 VanDerWaalsContact O-CB 3.27Å; D262-Y266 WeakPolarHBondContact O-CB 3.48Å; D262-Y266 PolarHBondContact O-N 2.9Å
263A91.5Very high91.8Very high58 Ų58100.5 Ų100.548%0.47951%0.511SS..Hα-helixtrans-65.4-41.5174.500000112.2A259 L260 R267A259-A263 VanDerWaalsContact O-CB 3.26Å; A259-A263 WeakPolarHBondContact O-CB 3.48Å; A259-A263 PolarHBondContact O-N 3.47Å; L260-A263 PolarHBondContact O-N 2.82Å; A263-R267 WeakPolarHBondContact O-CB 3.5Å; A263-R267 PolarHBondContact O-N 3.5Å
264E92.8Very high91.5Very high135 Ų13595.9 Ų95.963%0.63150%0.497SS*.Hα-helixtrans-64.6-46174.6-74.8178.4176.500111.8L260 T261 R267 A268L260-E264 WeakPolarHBondContact O-CG 3.47Å; L260-E264 PolarHBondContact O-N 3.32Å; T261-E264 PolarHBondContact O-N 3.17Å; E264-R267 PolarHBondContact O-N 2.84Å; E264-A268 WeakPolarHBondContact O-CB 3.23Å; E264-A268 PolarHBondContact O-N 2.78Å
265Y91.4Very high91Very high165 Ų16594.6 Ų94.665%0.64750%0.496SS*.Hα-helixtrans-59.7-47.1175.7176.9-96.8000111.5T261 R267 A268 M269T261-Y265 VanDerWaalsContact O-CB 3.32Å; T261-Y265 WeakPolarHBondContact O-CB 3.38Å; T261-Y265 PolarHBondContact O-N 2.98Å; Y265-R267 VanDerWaalsContact C-N 3.35Å; Y265-R267 PolarHBondContact O-N 3.01Å; Y265-A268 PolarHBondContact O-N 3.03Å; Y265-M269 HydrophobicContact CE1-SD 4.29Å; Y265-M269 WeakPolarHBondContact O-CB 3.41Å; Y265-M269 PolarHBondContact O-N 3.06Å
266Y91.5Very high90.6Very high140 Ų14098.5 Ų98.555%0.54950%0.504SS..Hα-helixtrans-61.1-43177.4-176.7-98.8000111.8D262 M269 K270D262-Y266 VanDerWaalsContact O-CB 3.27Å; D262-Y266 WeakPolarHBondContact O-CB 3.48Å; D262-Y266 PolarHBondContact O-N 2.9Å; Y266-M269 HydrophobicContact CD2-CE 4.48Å; Y266-M269 PolarHBondContact O-N 2.83Å; Y266-K270 HydrophobicContact CD1-CG 4.34Å; Y266-K270 HydrophobicContact CE1-CG 3.92Å; Y266-K270 HydrophobicContact CE2-CG 4.37Å; Y266-K270 WeakPolarHBondContact O-CG 3.5Å; Y266-K270 PolarHBondContact O-N 3.02Å; Y266-K270 WeakPolarHBondContact OH-CE 3.45Å
267R92.9Very high90.1Very high172 Ų17296.5 Ų96.565%0.64951%0.506SS*.Hα-helixtrans-61.7-49.3176-178.6179175.2172.80.7111.7A263 E264 Y265 M269 K270 E271A263-R267 WeakPolarHBondContact O-CB 3.5Å; A263-R267 PolarHBondContact O-N 3.5Å; E264-R267 PolarHBondContact O-N 2.84Å; Y265-R267 VanDerWaalsContact C-N 3.35Å; Y265-R267 PolarHBondContact O-N 3.01Å; R267-M269 VanDerWaalsContact C-N 3.34Å; R267-M269 PolarHBondContact O-N 3.33Å; R267-K270 PolarHBondContact O-N 3.37Å; R267-E271 HydrophobicContact CG-CG 4.49Å; R267-E271 WeakPolarHBondContact CG-OE1 3.15Å; R267-E271 IonicContact CZ-OE1 3.72Å; R267-E271 IonicContact NE-OE1 2.91Å; R267-E271 PolarHBondContact NE-OE1 3.15Å; R267-E271 IonicContact NH2-OE1 3.62Å; R267-E271 WeakPolarHBondContact O-CB 3.3Å; R267-E271 WeakPolarHBondContact O-CG 3.47Å; R267-E271 PolarHBondContact O-N 3.16Å
268A91.8Very high89.6Confident56 Ų5698.3 Ų98.346%0.46351%0.506SS..Hα-helixtrans-62.2-41.1179.400000111.9E264 Y265 E271 A272E264-A268 WeakPolarHBondContact O-CB 3.23Å; E264-A268 PolarHBondContact O-N 2.78Å; Y265-A268 PolarHBondContact O-N 3.03Å; A268-E271 PolarHBondContact O-N 3.18Å; A268-A272 WeakPolarHBondContact O-CB 3.32Å; A268-A272 PolarHBondContact O-N 2.9Å
269M92.2Very high88.9Confident66 Ų6698.1 Ų98.133%0.32551%0.51SS..Hα-helixtrans-62.8-44.1176-168.8-173.380.500111.5Y265 Y266 R267 A272 E273Y265-M269 HydrophobicContact CE1-SD 4.29Å; Y265-M269 WeakPolarHBondContact O-CB 3.41Å; Y265-M269 PolarHBondContact O-N 3.06Å; Y266-M269 HydrophobicContact CD2-CE 4.48Å; Y266-M269 PolarHBondContact O-N 2.83Å; R267-M269 VanDerWaalsContact C-N 3.34Å; R267-M269 PolarHBondContact O-N 3.33Å; M269-A272 PolarHBondContact O-N 3.25Å; M269-E273 WeakPolarHBondContact O-CG 3.23Å; M269-E273 PolarHBondContact O-N 2.84Å
270K90.5Very high88.3Confident82 Ų8298.5 Ų98.536%0.35751%0.507SS..Hα-helixtrans-66.8-37.5175.9-72.7-48.5-170.4-165.70113.2Y266 R267 A272 E273 A274Y266-K270 HydrophobicContact CD1-CG 4.34Å; Y266-K270 HydrophobicContact CE1-CG 3.92Å; Y266-K270 HydrophobicContact CE2-CG 4.37Å; Y266-K270 WeakPolarHBondContact O-CG 3.5Å; Y266-K270 PolarHBondContact O-N 3.02Å; Y266-K270 WeakPolarHBondContact OH-CE 3.45Å; R267-K270 PolarHBondContact O-N 3.37Å; K270-A272 VanDerWaalsContact C-N 3.35Å; K270-E273 VanDerWaalsContact CD-OE2 3.29Å; K270-E273 WeakPolarHBondContact CD-OE2 3.46Å; K270-E273 IonicContact NZ-OE1 3.61Å; K270-E273 PolarHBondContact NZ-OE1 3.13Å; K270-E273 IonicContact NZ-OE2 3.03Å; K270-E273 PolarHBondContact NZ-OE2 3.06Å; K270-A274 VanDerWaalsContact O-CB 3.3Å; K270-A274 WeakPolarHBondContact O-CB 3.4Å; K270-A274 PolarHBondContact O-N 3.07Å
271E89.3Confident87.7Confident102 Ų10298.8 Ų98.848%0.47752%0.515SS..Hα-helixtrans-65.4-38173.2-73.9175.8-173.500111.5R267 A268 S275R267-E271 HydrophobicContact CG-CG 4.49Å; R267-E271 WeakPolarHBondContact CG-OE1 3.15Å; R267-E271 IonicContact CZ-OE1 3.72Å; R267-E271 IonicContact NE-OE1 2.91Å; R267-E271 PolarHBondContact NE-OE1 3.15Å; R267-E271 IonicContact NH2-OE1 3.62Å; R267-E271 WeakPolarHBondContact O-CB 3.3Å; R267-E271 WeakPolarHBondContact O-CG 3.47Å; R267-E271 PolarHBondContact O-N 3.16Å; A268-E271 PolarHBondContact O-N 3.18Å; E271-S275 WeakPolarHBondContact O-CB 3.36Å; E271-S275 PolarHBondContact O-N 2.85Å; E271-S275 PolarHBondContact O-OG 2.89Å
272A87.3Confident87.3Confident60 Ų6098.5 Ų98.550%0.49652%0.52SS..Hα-helixtrans-67.4-44.7174.600000112.5A268 M269 K270 S275 H276A268-A272 WeakPolarHBondContact O-CB 3.32Å; A268-A272 PolarHBondContact O-N 2.9Å; M269-A272 PolarHBondContact O-N 3.25Å; K270-A272 VanDerWaalsContact C-N 3.35Å; A272-S275 WeakPolarHBondContact O-CB 3.46Å; A272-S275 PolarHBondContact O-N 3.46Å; A272-H276 PolarHBondContact O-N 3.05Å
273E89.2Confident86.9Confident89 Ų8997.9 Ų97.942%0.41651%0.511SS..Hα-helixtrans-58.5-46.8172.6-76.5176.2-168.400111.4M269 K270 S275 H276 L277M269-E273 WeakPolarHBondContact O-CG 3.23Å; M269-E273 PolarHBondContact O-N 2.84Å; K270-E273 VanDerWaalsContact CD-OE2 3.29Å; K270-E273 WeakPolarHBondContact CD-OE2 3.46Å; K270-E273 IonicContact NZ-OE1 3.61Å; K270-E273 PolarHBondContact NZ-OE1 3.13Å; K270-E273 IonicContact NZ-OE2 3.03Å; K270-E273 PolarHBondContact NZ-OE2 3.06Å; E273-S275 VanDerWaalsContact C-N 3.27Å; E273-S275 PolarHBondContact O-N 3.41Å; E273-H276 PolarHBondContact O-N 3.38Å; E273-L277 PolarHBondContact O-N 3.37Å
274A86.2Confident86.5Confident42 Ų4299.6 Ų99.635%0.34751%0.511SS..Hα-helixtrans-63-35.117700000112.1K270 K278K270-A274 VanDerWaalsContact O-CB 3.3Å; K270-A274 WeakPolarHBondContact O-CB 3.4Å; K270-A274 PolarHBondContact O-N 3.07Å; A274-K278 VanDerWaalsContact O-CG 3.28Å; A274-K278 WeakPolarHBondContact O-CG 3.32Å; A274-K278 PolarHBondContact O-N 3.34Å
275S82.3Confident86.1Confident66 Ų6698.6 Ų98.646%0.46251%0.506SS..Hα-helixtrans-69.5-37.9175.5-60.20000111.9E271 A272 E273 K278E271-S275 WeakPolarHBondContact O-CB 3.36Å; E271-S275 PolarHBondContact O-N 2.85Å; E271-S275 PolarHBondContact O-OG 2.89Å; A272-S275 WeakPolarHBondContact O-CB 3.46Å; A272-S275 PolarHBondContact O-N 3.46Å; E273-S275 VanDerWaalsContact C-N 3.27Å; E273-S275 PolarHBondContact O-N 3.41Å; S275-K278 WeakPolarHBondContact O-CB 3.42Å; S275-K278 PolarHBondContact O-N 2.92Å
276H84.1Confident85.9Confident140 Ų14094.6 Ų94.665%0.64850%0.496SS*.Hα-helixtrans-64-41.2174.8-170.5-85.3000111.8A272 E273 K278 L279A272-H276 PolarHBondContact O-N 3.05Å; E273-H276 PolarHBondContact O-N 3.38Å; H276-K278 VanDerWaalsContact C-N 3.25Å; H276-K278 PolarHBondContact O-N 3.37Å; H276-L279 WeakPolarHBondContact O-CB 3.46Å; H276-L279 PolarHBondContact O-N 2.96Å
277L84.1Confident85.6Confident140 Ų14089.5 Ų89.573%0.73348%0.483SS*.Hα-helixtrans-66.4-25.8175.9-70171.2000113.4E273 L279E273-L277 PolarHBondContact O-N 3.37Å; L277-L279 VanDerWaalsContact C-N 3.28Å; L277-L279 PolarHBondContact O-N 3.27Å
278K79.7Confident85.2Confident96 Ų9687.7 Ų87.742%0.41748%0.48SS..THydrogen-bonded Turntrans-75.9-9.6176-76169.2-178.1179.60113.6A274 S275 H276 T280 Y283A274-K278 VanDerWaalsContact O-CG 3.28Å; A274-K278 WeakPolarHBondContact O-CG 3.32Å; A274-K278 PolarHBondContact O-N 3.34Å; S275-K278 WeakPolarHBondContact O-CB 3.42Å; S275-K278 PolarHBondContact O-N 2.92Å; H276-K278 VanDerWaalsContact C-N 3.25Å; H276-K278 PolarHBondContact O-N 3.37Å; K278-T280 PolarHBondContact O-N 2.85Å; K278-Y283 HydrophobicContact CB-CD1 3.75Å; K278-Y283 HydrophobicContact CB-CE1 3.65Å; K278-Y283 HydrophobicContact CB-CG 4.37Å; K278-Y283 HydrophobicContact CD-CE1 3.98Å; K278-Y283 HydrophobicContact CG-CD1 4.36Å; K278-Y283 HydrophobicContact CG-CE1 3.97Å; K278-Y283 HydrophobicContact CG-CE2 4.41Å; K278-Y283 VanDerWaalsContact O-CB 3.31Å; K278-Y283 WeakPolarHBondContact O-CB 3.49Å; K278-Y283 WeakPolarHBondContact O-CD1 3.49Å
279L79.4Confident84.8Confident111 Ų11192 Ų9258%0.58149%0.485SS*.  trans-74.949.7179.8-64.3170.5000113H276 L277 L284H276-L279 WeakPolarHBondContact O-CB 3.46Å; H276-L279 PolarHBondContact O-N 2.96Å; L277-L279 VanDerWaalsContact C-N 3.28Å; L277-L279 PolarHBondContact O-N 3.27Å; L279-L284 HydrophobicContact CD2-CD2 4.37Å
280T81.1Confident84.6Confident68 Ų6893.7 Ų93.742%0.41749%0.492SS..  trans-95.9144.6170.261.40000109.5K278 A282 Y283 L284K278-T280 PolarHBondContact O-N 2.85Å; T280-A282 PolarHBondContact O-N 2.86Å; T280-Y283 PolarHBondContact O-N 3.43Å; T280-Y283 VanDerWaalsContact OG1-CB 3.24Å; T280-Y283 WeakPolarHBondContact OG1-CB 3.35Å; T280-Y283 PolarHBondContact OG1-N 3.38Å; T280-L284 WeakPolarHBondContact O-CG 3.44Å; T280-L284 PolarHBondContact O-N 3.48Å
281P80.6Confident84.3Confident108 Ų10892.1 Ų92.170%0.70149%0.494SS*.Hα-helixtrans-56.6-36.8-179.818.5-29.5000112.4L284 E285P281-L284 PolarHBondContact O-N 2.94Å; P281-E285 PolarHBondContact O-N 3.27Å
282A81.8Confident83.9Confident70 Ų7091.9 Ų91.958%0.57950%0.496SS*.Hα-helixtrans-65-39.2175.900000113.4T280 L286T280-A282 PolarHBondContact O-N 2.86Å; A282-L286 WeakPolarHBondContact O-CB 3.19Å; A282-L286 PolarHBondContact O-N 3.41Å
283Y85Confident83.6Confident90 Ų9092.2 Ų92.235%0.35350%0.499SS..Hα-helixtrans-73.9-37.2177.4-175.9-95.2000112.1K278 T280 E285 L286 A287K278-Y283 HydrophobicContact CB-CD1 3.75Å; K278-Y283 HydrophobicContact CB-CE1 3.65Å; K278-Y283 HydrophobicContact CB-CG 4.37Å; K278-Y283 HydrophobicContact CD-CE1 3.98Å; K278-Y283 HydrophobicContact CG-CD1 4.36Å; K278-Y283 HydrophobicContact CG-CE1 3.97Å; K278-Y283 HydrophobicContact CG-CE2 4.41Å; K278-Y283 VanDerWaalsContact O-CB 3.31Å; K278-Y283 WeakPolarHBondContact O-CB 3.49Å; K278-Y283 WeakPolarHBondContact O-CD1 3.49Å; T280-Y283 PolarHBondContact O-N 3.43Å; T280-Y283 VanDerWaalsContact OG1-CB 3.24Å; T280-Y283 WeakPolarHBondContact OG1-CB 3.35Å; T280-Y283 PolarHBondContact OG1-N 3.38Å; Y283-E285 VanDerWaalsContact C-N 3.32Å; Y283-E285 PolarHBondContact O-N 2.85Å; Y283-L286 HydrophobicContact CE2-CD2 4.5Å; Y283-L286 PolarHBondContact O-N 2.94Å; Y283-A287 HydrophobicContact CE1-CB 4.5Å; Y283-A287 VanDerWaalsContact O-CB 3.27Å; Y283-A287 WeakPolarHBondContact O-CB 3.41Å; Y283-A287 PolarHBondContact O-N 2.98Å
284L84.3Confident83.2Confident93 Ų9395.7 Ų95.749%0.48752%0.515SS..Hα-helixtrans-62.8-39174.4-68.4174.8000111.6L279 T280 P281 K288L279-L284 HydrophobicContact CD2-CD2 4.37Å; T280-L284 WeakPolarHBondContact O-CG 3.44Å; T280-L284 PolarHBondContact O-N 3.48Å; P281-L284 PolarHBondContact O-N 2.94Å; L284-K288 VanDerWaalsContact O-CB 3.25Å; L284-K288 WeakPolarHBondContact O-CB 3.23Å; L284-K288 PolarHBondContact O-N 2.86Å
285E84Confident82.5Confident114 Ų114100.1 Ų100.153%0.53353%0.532SS..Hα-helixtrans-64-48.6171-81.1-170.615700112.1P281 Y283 A287 K288 Y289P281-E285 PolarHBondContact O-N 3.27Å; Y283-E285 VanDerWaalsContact C-N 3.32Å; Y283-E285 PolarHBondContact O-N 2.85Å; E285-A287 VanDerWaalsContact C-N 3.32Å; E285-A287 PolarHBondContact O-N 3.39Å; E285-K288 WeakPolarHBondContact O-CB 3.19Å; E285-K288 PolarHBondContact O-N 3.45Å; E285-Y289 HydrophobicContact CB-CD2 4.41Å; E285-Y289 HydrophobicContact CB-CE2 4.17Å; E285-Y289 WeakPolarHBondContact O-CD2 3.42Å; E285-Y289 PolarHBondContact O-N 2.87Å
286L86.9Confident81.7Confident81 Ų81100.3 Ų100.342%0.42453%0.534SS..Hα-helixtrans-57.3-44.8176.2179.4150.7000111.6A282 Y283 Y289 Q290A282-L286 WeakPolarHBondContact O-CB 3.19Å; A282-L286 PolarHBondContact O-N 3.41Å; Y283-L286 HydrophobicContact CE2-CD2 4.5Å; Y283-L286 PolarHBondContact O-N 2.94Å; L286-Y289 PolarHBondContact O-N 2.66Å; L286-Q290 HydrophobicContact CD2-CG 4.19Å; L286-Q290 WeakPolarHBondContact O-CB 3.42Å; L286-Q290 VanDerWaalsContact O-CG 3.3Å; L286-Q290 WeakPolarHBondContact O-CG 3.41Å; L286-Q290 PolarHBondContact O-N 2.73Å
287A85.4Confident80.6Confident33 Ų33101.1 Ų101.127%0.27354%0.536SS..Hα-helixtrans-65-39.6177.200000111.9Y283 E285 Q290 A291Y283-A287 HydrophobicContact CE1-CB 4.5Å; Y283-A287 VanDerWaalsContact O-CB 3.27Å; Y283-A287 WeakPolarHBondContact O-CB 3.41Å; Y283-A287 PolarHBondContact O-N 2.98Å; E285-A287 VanDerWaalsContact C-N 3.32Å; E285-A287 PolarHBondContact O-N 3.39Å; A287-Q290 PolarHBondContact O-N 3.43Å; A287-A291 VanDerWaalsContact O-CB 3.29Å; A287-A291 WeakPolarHBondContact O-CB 3.2Å; A287-A291 PolarHBondContact O-N 3.29Å
288K83.6Confident79.4Confident134 Ų13499.1 Ų99.158%0.58353%0.529SS*.Hα-helixtrans-61.5-46.9173.1-179.6-176.1176-175.10111.1L284 E285 A291 L292L284-K288 VanDerWaalsContact O-CB 3.25Å; L284-K288 WeakPolarHBondContact O-CB 3.23Å; L284-K288 PolarHBondContact O-N 2.86Å; E285-K288 WeakPolarHBondContact O-CB 3.19Å; E285-K288 PolarHBondContact O-N 3.45Å; K288-A291 PolarHBondContact O-N 3.32Å; K288-L292 HydrophobicContact CG-CD1 4.07Å; K288-L292 WeakPolarHBondContact O-CB 3.25Å; K288-L292 VanDerWaalsContact O-CG 3.23Å; K288-L292 WeakPolarHBondContact O-CG 3.43Å; K288-L292 PolarHBondContact O-N 3.01Å
289Y84.6Confident78.3Confident147 Ų147103 Ų10358%0.57654%0.542SS*.Hα-helixtrans-66.5-38177.5-70.3-59.4000112.3E285 L286 L292 A293E285-Y289 HydrophobicContact CB-CD2 4.41Å; E285-Y289 HydrophobicContact CB-CE2 4.17Å; E285-Y289 WeakPolarHBondContact O-CD2 3.42Å; E285-Y289 PolarHBondContact O-N 2.87Å; L286-Y289 PolarHBondContact O-N 2.66Å; Y289-L292 PolarHBondContact O-N 3.38Å; Y289-A293 VanDerWaalsContact O-CB 3.24Å; Y289-A293 WeakPolarHBondContact O-CB 3.33Å; Y289-A293 PolarHBondContact O-N 2.93Å
290Q87.2Confident76.9Confident102 Ų102106.7 Ų106.748%0.47755%0.554SS.*Hα-helixtrans-65.1-44173.9-76.3179.7-19.100112.2L286 A287 A293 Q294L286-Q290 HydrophobicContact CD2-CG 4.19Å; L286-Q290 WeakPolarHBondContact O-CB 3.42Å; L286-Q290 VanDerWaalsContact O-CG 3.3Å; L286-Q290 WeakPolarHBondContact O-CG 3.41Å; L286-Q290 PolarHBondContact O-N 2.73Å; A287-Q290 PolarHBondContact O-N 3.43Å; Q290-A293 PolarHBondContact O-N 3.03Å; Q290-Q294 WeakPolarHBondContact O-CB 3.27Å; Q290-Q294 WeakPolarHBondContact O-CG 3.35Å; Q290-Q294 PolarHBondContact O-N 3.02Å
291A84.7Confident75.5Confident48 Ų48109.7 Ų109.740%0.39757%0.573SS.*Hα-helixtrans-64.7-38.8175.800000112A287 K288 N295A287-A291 VanDerWaalsContact O-CB 3.29Å; A287-A291 WeakPolarHBondContact O-CB 3.2Å; A287-A291 PolarHBondContact O-N 3.29Å; K288-A291 PolarHBondContact O-N 3.32Å; A291-N295 VanDerWaalsContact O-CB 3.31Å; A291-N295 WeakPolarHBondContact O-CB 3.34Å; A291-N295 PolarHBondContact O-N 3.48Å; A291-N295 PolarHBondContact O-ND2 3.34Å
292L81.6Confident73.7Confident98 Ų98108.2 Ų108.251%0.51358%0.577SS.*Hα-helixtrans-65.5-43.6172.8-74.1169.4000111.8K288 Y289 N295 S296K288-L292 HydrophobicContact CG-CD1 4.07Å; K288-L292 WeakPolarHBondContact O-CB 3.25Å; K288-L292 VanDerWaalsContact O-CG 3.23Å; K288-L292 WeakPolarHBondContact O-CG 3.43Å; K288-L292 PolarHBondContact O-N 3.01Å; Y289-L292 PolarHBondContact O-N 3.38Å; L292-N295 PolarHBondContact O-N 3.27Å; L292-S296 WeakPolarHBondContact O-CB 3.27Å; L292-S296 PolarHBondContact O-N 2.78Å; L292-S296 PolarHBondContact O-OG 3.24Å
293A80.2Confident71.8Confident67 Ų67111.9 Ų111.955%0.55459%0.587SS**Hα-helixtrans-66.2-36.5178.600000112.9Y289 Q290 S296Y289-A293 VanDerWaalsContact O-CB 3.24Å; Y289-A293 WeakPolarHBondContact O-CB 3.33Å; Y289-A293 PolarHBondContact O-N 2.93Å; Q290-A293 PolarHBondContact O-N 3.03Å; A293-S296 PolarHBondContact O-OG 2.93Å
294Q80.4Confident70Confident161 Ų161116 Ų11675%0.75261%0.609SS**Hα-helixtrans-73.1-32.7175.2-72.8179.6-0.900112.5Q290Q290-Q294 WeakPolarHBondContact O-CB 3.27Å; Q290-Q294 WeakPolarHBondContact O-CG 3.35Å; Q290-Q294 PolarHBondContact O-N 3.02Å
295N70.8Confident68.3Low135 Ų135114.7 Ų114.772%0.72262%0.618SS**Hα-helixtrans-80.9-24.8176.5-80.7-24.8000113.7A291 L292 K297A291-N295 VanDerWaalsContact O-CB 3.31Å; A291-N295 WeakPolarHBondContact O-CB 3.34Å; A291-N295 PolarHBondContact O-N 3.48Å; A291-N295 PolarHBondContact O-ND2 3.34Å; L292-N295 PolarHBondContact O-N 3.27Å; N295-K297 VanDerWaalsContact C-N 3.33Å; N295-K297 PolarHBondContact O-N 2.82Å
296S66.9Low66.8Low71 Ų71115.9 Ų115.950%0.49763%0.628SS.*  trans-78.580.9177.666.80000111L292 A293 V298L292-S296 WeakPolarHBondContact O-CB 3.27Å; L292-S296 PolarHBondContact O-N 2.78Å; L292-S296 PolarHBondContact O-OG 3.24Å; A293-S296 PolarHBondContact O-OG 2.93Å; S296-V298 PolarHBondContact O-N 3.48Å; S296-V298 VanDerWaalsContact O-N 3.16Å
297K60.4Low65.4Low156 Ų156119.1 Ų119.168%0.67865%0.645SS**  trans-70.8100.1160.4-72.2-175.1-179.9176.10108.6N295 Y299N295-K297 VanDerWaalsContact C-N 3.33Å; N295-K297 PolarHBondContact O-N 2.82Å; K297-Y299 HydrophobicContact CB-CD2 4.16Å; K297-Y299 HydrophobicContact CB-CE2 3.55Å; K297-Y299 HydrophobicContact CD-CE2 4.19Å; K297-Y299 WeakPolarHBondContact CD-OH 3.46Å; K297-Y299 WeakPolarHBondContact O-CD2 3.24Å; K297-Y299 PolarHBondContact O-N 2.84Å
298V59.4Low64.3Low98 Ų98123.9 Ų123.959%0.59467%0.665SS**  trans-80.9106.8172.8-1760000108.4S296 F300S296-V298 PolarHBondContact O-N 3.48Å; S296-V298 VanDerWaalsContact O-N 3.16Å; V298-F300 HydrophobicContact CB-CE2 4.32Å; V298-F300 HydrophobicContact CG1-CD2 4.08Å; V298-F300 HydrophobicContact CG1-CE1 4.11Å; V298-F300 HydrophobicContact CG1-CE2 3.59Å; V298-F300 HydrophobicContact CG1-CZ 3.61Å
299Y56.7Low63Low177 Ų177122.5 Ų122.569%0.69466%0.661SS**  trans-91.8117.2170.2-64.1-88.8000108.4K297K297-Y299 HydrophobicContact CB-CD2 4.16Å; K297-Y299 HydrophobicContact CB-CE2 3.55Å; K297-Y299 HydrophobicContact CD-CE2 4.19Å; K297-Y299 WeakPolarHBondContact CD-OH 3.46Å; K297-Y299 WeakPolarHBondContact O-CD2 3.24Å; K297-Y299 PolarHBondContact O-N 2.84Å
300F49.6Very low61.9Low189 Ų189120.9 Ų120.983%0.82966%0.663SS**  trans-91.3114.4172.4-65.3-86.8000109V298V298-F300 HydrophobicContact CB-CE2 4.32Å; V298-F300 HydrophobicContact CG1-CD2 4.08Å; V298-F300 HydrophobicContact CG1-CE1 4.11Å; V298-F300 HydrophobicContact CG1-CE2 3.59Å; V298-F300 HydrophobicContact CG1-CZ 3.61Å
301T51.7Low60.8Low132 Ų132120.9 Ų120.981%0.8167%0.666SS**  trans-119.8111.8172.364.60000109.3
302G42.4Very low59.8Low77 Ų77123.5 Ų123.579%0.79467%0.672SS**  trans-76.3140.1175.300000112
303D43.1Very low58.8Low146 Ų146123.7 Ų123.778%0.78167%0.674SS**SBendtrans37.9125.6162.1-151.215.7000119.3
304Q45.6Very low58Low177 Ų177127 Ų12783%0.82768%0.678SS**  trans98.1106.8168.4-51.3-176.31500118.4
305G49.7Very low57.3Low65 Ų65125 Ų12567%0.6767%0.67SS**  trans113.9101151.300000116.5L307G305-L307 PolarHBondContact O-N 3.42Å
306N51.5Low56.8Low140 Ų140122.6 Ų122.675%0.74966%0.664SS**  trans-68.881.2-179.3-75.5-23.2000113.8I308 M309N306-I308 PolarHBondContact O-N 2.94Å; N306-I308 VanDerWaalsContact O-N 3.17Å; N306-M309 PolarHBondContact O-N 3.4Å
307L58.1Low56.4Low149 Ų149123 Ų12378%0.7867%0.667SS**Hα-helixtrans-58.1-22.4170.7-78.3153.2000113.9G305 L311G305-L307 PolarHBondContact O-N 3.42Å; L307-L311 PolarHBondContact O-N 3Å
308I61.5Low56.3Low133 Ų133119.1 Ų119.168%0.68266%0.659SS**Hα-helixtrans-73-31.1-178.9-63.9172.8000111.7N306 L312N306-I308 PolarHBondContact O-N 2.94Å; N306-I308 VanDerWaalsContact O-N 3.17Å; I308-L312 HydrophobicContact CG2-CD1 4.45Å; I308-L312 PolarHBondContact O-N 3.45Å
309M57.9Low56.1Low104 Ų104121.3 Ų121.351%0.51267%0.667SS.*Hα-helixtrans-76.5-31.9178.8-86.1-57.4-66.600113N306 L312 N313N306-M309 PolarHBondContact O-N 3.4Å; M309-L312 PolarHBondContact O-N 2.94Å; M309-L312 HydrophobicContact SD-CD1 4.4Å; M309-N313 PolarHBondContact O-N 3.14Å
310D61Low55.9Low114 Ų114117.8 Ų117.861%0.6167%0.668SS**Hα-helixtrans-68.8-35.1175.1-91.3-10.4000112.2N313 Q314D310-N313 PolarHBondContact O-N 3.02Å; D310-Q314 PolarHBondContact O-N 3.34Å
311L63.6Low56Low102 Ų102119.5 Ų119.553%0.53467%0.669SS.*Hα-helixtrans-68.5-36.3177.2-168.666.7000112.4L307 M315L307-L311 PolarHBondContact O-N 3Å; L311-M315 PolarHBondContact O-N 3.35Å
312L63Low55.8Low103 Ų103117.8 Ų117.854%0.53966%0.662SS.*Hα-helixtrans-69.3-35.8176.9-87.2160.3000112.7I308 M309 M315 S316I308-L312 HydrophobicContact CG2-CD1 4.45Å; I308-L312 PolarHBondContact O-N 3.45Å; M309-L312 PolarHBondContact O-N 2.94Å; M309-L312 HydrophobicContact SD-CD1 4.4Å; L312-M315 PolarHBondContact O-N 3.33Å; L312-S316 PolarHBondContact O-N 3.07Å
313N61.7Low55.7Low101 Ų101122.5 Ų122.554%0.5467%0.669SS.*Hα-helixtrans-70-34.3176.5-81.9-22.1000112.7M309 D310 S316M309-N313 PolarHBondContact O-N 3.14Å; D310-N313 PolarHBondContact O-N 3.02Å; N313-S316 PolarHBondContact O-OG 3.47Å
314Q63.6Low55.7Low138 Ų138119.6 Ų119.665%0.64567%0.666SS**Hα-helixtrans-67.8-34.7175-78.9-175.2-12.400112.6D310 S317D310-Q314 PolarHBondContact O-N 3.34Å; Q314-S317 PolarHBondContact O-OG 3.47Å
315M65.2Low55.5Low117 Ų117116.7 Ų116.758%0.57666%0.664SS**Hα-helixtrans-72-26.4179.6-76.1-172.8164.800114.3L311 L312 S318 L319L311-M315 PolarHBondContact O-N 3.35Å; L312-M315 PolarHBondContact O-N 3.33Å; M315-S318 PolarHBondContact O-OG 3.15Å; M315-L319 WeakPolarHBondContact O-CD1 3.45Å
316S61.2Low54.9Low86 Ų86119.3 Ų119.360%0.60167%0.668SS**Hα-helixtrans-76-30.3178.384.40000113L312 N313L312-S316 PolarHBondContact O-N 3.07Å; N313-S316 PolarHBondContact O-OG 3.47Å
317S57.4Low54.3Low80 Ų80121.6 Ų121.656%0.55967%0.671SS**Hα-helixtrans-75.2-21.8-178.271.60000114.3Q314Q314-S317 PolarHBondContact O-OG 3.47Å
318S58.5Low53.7Low73 Ų73121.7 Ų121.751%0.5167%0.672SS.*Hα-helixtrans-86-20.1-177.461.50000113.9M315 S320M315-S318 PolarHBondContact O-OG 3.15Å; S318-S320 VanDerWaalsContact C-N 3.33Å; S318-S320 PolarHBondContact O-N 3.4Å
319L54.5Low52.8Low145 Ų145124.9 Ų124.976%0.75968%0.684SS**THydrogen-bonded Turntrans-75.1-13.8179.3-95.895.7000114.7M315M315-L319 WeakPolarHBondContact O-CD1 3.45Å
320S52.5Low52.2Low102 Ų102125.9 Ų125.971%0.71370%0.696SS**THydrogen-bonded Turntrans-85.9-4.5-177.11290000115S318S318-S320 VanDerWaalsContact C-N 3.33Å; S318-S320 PolarHBondContact O-N 3.4Å
321R53.2Low51.3Low226 Ų226126.7 Ų126.785%0.85371%0.705SS**SBendtrans-119.3-5.7-165.5-74.1-175.4-175.2177.32.3117.8
322S47.8Very low50.3Low96 Ų96126.9 Ų126.967%0.67172%0.715SS**  trans-1127.2-17066.40000117.5A324S322-A324 PolarHBondContact O-N 3.14Å
323N40Very low49.5Very low176 Ų176127.1 Ų127.194%0.94173%0.725SS**  trans-79.660.9169.1-92.1-6.6000111.8
324A42.5Very low49.1Very low85 Ų85131.9 Ų131.970%0.70274%0.741SS**  trans-166.9124.1163.900000110.2S322S322-A324 PolarHBondContact O-N 3.14Å
325S40.7Very low48.3Very low115 Ų115135 Ų13580%0.80477%0.769SS**  trans79.5127.9163.1149.40000118.2
326T38.7Very low47.5Very low120 Ų120135.9 Ų135.974%0.73678%0.779SS**  cis-171.6134.3-4.2-75.50000105.4
327K37.5Very low46.7Very low189 Ų189138.5 Ų138.582%0.82279%0.788SS**  trans-68.7135.4161.2-76.6166.2165.4176.10108.2
328D46.6Very low46.2Very low150 Ų150141.7 Ų141.780%0.80280%0.801SS**  trans164.1104.7142.3-81.8-18.5000110.5
329Q43.1Very low45.4Very low200 Ų200145.8 Ų145.894%0.93582%0.818SS**  172.7123.5126.1-97.5179.5-14.700110.4
330V44Very low44.9Very low125 Ų125145.8 Ų145.876%0.75882%0.822SS**  trans-122.8130.9-169.7158.40000107.7
331T42.2Very low44.4Very low132 Ų132148.7 Ų148.781%0.8183%0.829SS**  trans52.6132.7149.959.90000123.1
332S42.3Very low43.7Very low106 Ų106143.2 Ų143.274%0.74183%0.827SS**  trans-159.1127.6131.264.70000113.4
333S46.9Very low43.4Very low107 Ų107146.8 Ų146.875%0.74884%0.839SS**  trans51.3119.8146.356.90000119.6
334F52.7Low43.7Very low201 Ų201144.4 Ų144.488%0.88283%0.831SS**  cis57.510138.1-108.1-75.3000116.3
335V47.2Very low43.8Very low203 Ų203149.8 Ų149.8100%1.2384%0.843SS**  -123.40115.3170.60000106.9

Retrieved 335 of 335 residues in 64.7 ms (Link to these results)

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