A0A077ZFR6_TRITR Loading...

Emp24:gp25L:p24 family protein

AlphaFold DB , UniProt , Accession A0A077ZFR6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 191 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
1M55.3Low66Low219 Ų219121.9 Ų121.9100%1.07964%0.635SS**  0-27.80-144161.116200113.5
2G65.3Low66.1Low58 Ų58123.1 Ų123.160%0.59864%0.642SS**Hα-helixtrans-75.1-33.8179.100000116.5H4 F5 Q6G2-H4 PolarHBondContact O-N 2.91Å; G2-F5 PolarHBondContact O-N 2.98Å; G2-Q6 PolarHBondContact O-N 2.66Å
3L65Low66Low117 Ų117118.9 Ų118.961%0.61363%0.629SS**Hα-helixtrans-67.5-40-174.6-163.969.1000112.8F5 Q6 F7L3-F5 VanDerWaalsContact C-N 3.34Å; L3-F5 PolarHBondContact O-N 2.63Å; L3-Q6 PolarHBondContact O-N 3.04Å; L3-F7 HydrophobicContact CD1-CE2 4.1Å; L3-F7 HydrophobicContact CD2-CE2 4.14Å; L3-F7 HydrophobicContact CG-CD2 4.01Å; L3-F7 HydrophobicContact CG-CE2 3.76Å; L3-F7 VanDerWaalsContact O-CD2 3.23Å; L3-F7 WeakPolarHBondContact O-CD2 3.15Å; L3-F7 PolarHBondContact O-N 3.02Å; L3-F7 VanDerWaalsContact O-N 3.07Å
4H69.6Low65.9Low155 Ų155120.3 Ų120.372%0.71864%0.636SS**Hα-helixtrans-65.8-34.8176.7-73.5-77.5000113.1G2 A8G2-H4 PolarHBondContact O-N 2.91Å; H4-A8 WeakPolarHBondContact O-CB 3.42Å; H4-A8 PolarHBondContact O-N 2.58Å
5F66.8Low65.4Low148 Ų148118.9 Ų118.965%0.64964%0.637SS**Hα-helixtrans-69.6-36.8177.1-128.7-99.8000111.1G2 L3 A8 F9G2-F5 PolarHBondContact O-N 2.98Å; L3-F5 VanDerWaalsContact C-N 3.34Å; L3-F5 PolarHBondContact O-N 2.63Å; F5-A8 PolarHBondContact O-N 2.97Å; F5-F9 HydrophobicContact CD1-CD2 4.07Å; F5-F9 AromaticContact CD1-CE2 3.89Å; F5-F9 HydrophobicContact CD1-CE2 3.89Å; F5-F9 HydrophobicContact CE1-CD2 4.46Å; F5-F9 AromaticContact CE1-CE2 3.87Å; F5-F9 HydrophobicContact CE1-CE2 3.87Å; F5-F9 WeakPolarHBondContact O-CD2 3.47Å; F5-F9 PolarHBondContact O-N 3.39Å; F5-F9 VanDerWaalsContact O-N 3.09Å
6Q65.3Low64.8Low124 Ų124121.1 Ų121.158%0.57965%0.647SS**Hα-helixtrans-68.5-41.6176.7-151.8-165.1-23.400112.2G2 L3 A8 F9 I10G2-Q6 PolarHBondContact O-N 2.66Å; L3-Q6 PolarHBondContact O-N 3.04Å; Q6-A8 VanDerWaalsContact C-N 3.35Å; Q6-A8 PolarHBondContact O-N 3.43Å; Q6-F9 PolarHBondContact O-N 2.88Å; Q6-I10 WeakPolarHBondContact O-CG1 3.45Å; Q6-I10 PolarHBondContact O-N 3.13Å; Q6-I10 VanDerWaalsContact O-N 3.13Å
7F67.2Low64.2Low123 Ų123123.4 Ų123.454%0.53966%0.659SS.*Hα-helixtrans-62.2-40.5173.4-84.5-70.8000112.3L3 F9 I10 V11L3-F7 HydrophobicContact CD1-CE2 4.1Å; L3-F7 HydrophobicContact CD2-CE2 4.14Å; L3-F7 HydrophobicContact CG-CD2 4.01Å; L3-F7 HydrophobicContact CG-CE2 3.76Å; L3-F7 VanDerWaalsContact O-CD2 3.23Å; L3-F7 WeakPolarHBondContact O-CD2 3.15Å; L3-F7 PolarHBondContact O-N 3.02Å; L3-F7 VanDerWaalsContact O-N 3.07Å; F7-F9 PolarHBondContact O-N 3.07Å; F7-I10 PolarHBondContact O-N 3.03Å; F7-V11 WeakPolarHBondContact O-CG2 3.34Å; F7-V11 PolarHBondContact O-N 2.87Å; F7-V11 VanDerWaalsContact O-N 3.07Å
8A67.9Low63.8Low58 Ų58123.1 Ų123.148%0.47967%0.666SS.*Hα-helixtrans-63.6-39.8177.400000112.5H4 F5 Q6 L12H4-A8 WeakPolarHBondContact O-CB 3.42Å; H4-A8 PolarHBondContact O-N 2.58Å; F5-A8 PolarHBondContact O-N 2.97Å; Q6-A8 VanDerWaalsContact C-N 3.35Å; Q6-A8 PolarHBondContact O-N 3.43Å; A8-L12 VanDerWaalsContact O-CB 3.3Å; A8-L12 WeakPolarHBondContact O-CB 3.44Å; A8-L12 PolarHBondContact O-N 3.34Å
9F66.5Low63.7Low140 Ų140120.4 Ų120.461%0.61467%0.671SS**Hα-helixtrans-65.2-40.5175.5-99.1-87.3000112.8F5 Q6 F7 L12 S13F5-F9 HydrophobicContact CD1-CD2 4.07Å; F5-F9 AromaticContact CD1-CE2 3.89Å; F5-F9 HydrophobicContact CD1-CE2 3.89Å; F5-F9 HydrophobicContact CE1-CD2 4.46Å; F5-F9 AromaticContact CE1-CE2 3.87Å; F5-F9 HydrophobicContact CE1-CE2 3.87Å; F5-F9 WeakPolarHBondContact O-CD2 3.47Å; F5-F9 PolarHBondContact O-N 3.39Å; F5-F9 VanDerWaalsContact O-N 3.09Å; Q6-F9 PolarHBondContact O-N 2.88Å; F7-F9 PolarHBondContact O-N 3.07Å; F9-L12 PolarHBondContact O-N 3.17Å; F9-S13 WeakPolarHBondContact O-CB 3.3Å; F9-S13 PolarHBondContact O-N 2.88Å; F9-S13 PolarHBondContact O-OG 2.95Å
10I68.2Low63.5Low94 Ų94117.6 Ų117.648%0.48267%0.669SS.*Hα-helixtrans-65.5-43.8178.9-66.9167000110.8Q6 F7 S13 L14Q6-I10 WeakPolarHBondContact O-CG1 3.45Å; Q6-I10 PolarHBondContact O-N 3.13Å; Q6-I10 VanDerWaalsContact O-N 3.13Å; F7-I10 PolarHBondContact O-N 3.03Å; I10-S13 PolarHBondContact O-N 3.05Å; I10-S13 PolarHBondContact O-OG 3.03Å; I10-L14 PolarHBondContact O-N 3.05Å
11V69Low63.9Low105 Ų105115.7 Ų115.764%0.63666%0.66SS**Hα-helixtrans-67.6-37.4178.5176.10000111.5F7 L14F7-V11 WeakPolarHBondContact O-CG2 3.34Å; F7-V11 PolarHBondContact O-N 2.87Å; F7-V11 VanDerWaalsContact O-N 3.07Å; V11-L14 PolarHBondContact O-N 2.83Å
12L67.3Low65.4Low136 Ų136111.1 Ų111.171%0.71264%0.636SS**Hα-helixtrans-74.9-24.8179.8-162.272.7000113.3A8 F9 P15A8-L12 VanDerWaalsContact O-CB 3.3Å; A8-L12 WeakPolarHBondContact O-CB 3.44Å; A8-L12 PolarHBondContact O-N 3.34Å; F9-L12 PolarHBondContact O-N 3.17Å; L12-P15 WeakPolarHBondContact O-CD 3.24Å
13S64.9Low66.5Low69 Ų69111.7 Ų111.748%0.48363%0.625SS.*Hα-helixtrans-79-17175.1610000114.4F9 I10F9-S13 WeakPolarHBondContact O-CB 3.3Å; F9-S13 PolarHBondContact O-N 2.88Å; F9-S13 PolarHBondContact O-OG 2.95Å; I10-S13 PolarHBondContact O-N 3.05Å; I10-S13 PolarHBondContact O-OG 3.03Å
14L64.2Low67.9Low138 Ų138109.4 Ų109.472%0.72362%0.616SS**G310 helixtrans-67.2-33.6-171.3-162.862.6000115.7I10 V11 L16I10-L14 PolarHBondContact O-N 3.05Å; V11-L14 PolarHBondContact O-N 2.83Å; L14-L16 VanDerWaalsContact C-N 3.3Å; L14-L16 PolarHBondContact O-N 3.06Å
15P58Low69.1Low100 Ų100102.8 Ų102.865%0.64959%0.585SS**G310 helixtrans-79.4-3.7-177.128-30.8000115L12L12-P15 WeakPolarHBondContact O-CD 3.24Å
16L56.3Low70.4Confident154 Ų154101.2 Ų101.281%0.80658%0.58SS**G310 helixtrans-86.90.5-175.5-82.6159.6000115.1L14L14-L16 VanDerWaalsContact C-N 3.3Å; L14-L16 PolarHBondContact O-N 3.06Å
17L55.3Low71.8Confident160 Ų16095.3 Ų95.384%0.83855%0.552SS**G310 helixtrans-106.611.7-179.8-100112.8000114.9G19L17-G19 PolarHBondContact O-N 2.84Å; L17-G19 VanDerWaalsContact O-N 3.15Å
18C55.5Low73.2Confident117 Ų11790.7 Ų90.779%0.79154%0.535SS*.  trans-87.681175.2-154.30000110.4G20C18-G20 VanDerWaalsContact C-N 3.33Å; C18-G20 PolarHBondContact O-N 3.2Å
19G62.1Low74.3Confident73 Ų7390.1 Ų90.175%0.75352%0.524SS*.  trans-76.787.5160.100000108.3L17 V21L17-G19 PolarHBondContact O-N 2.84Å; L17-G19 VanDerWaalsContact O-N 3.15Å; G19-V21 PolarHBondContact O-N 3.43Å
20G60.9Low75.6Confident63 Ų6388.5 Ų88.565%0.64952%0.521SS*.  trans-72.5113.3174.400000109.9C18 E22C18-G20 VanDerWaalsContact C-N 3.33Å; C18-G20 PolarHBondContact O-N 3.2Å; G20-E22 VanDerWaalsContact C-N 3.29Å
21V72.4Confident76.9Confident79 Ų7988.2 Ų88.248%0.47952%0.518SS..  trans-84.1-8.3169.8-67.50000112.6G19 D111 W112 Q113G19-V21 PolarHBondContact O-N 3.43Å; V21-D111 WeakPolarHBondContact CG2-OD1 3.48Å; V21-W112 PolarHBondContact O-N 3.31Å; V21-Q113 HydrophobicContact CB-CG 4.49Å; V21-Q113 HydrophobicContact CG2-CG 4.21Å
22E84.8Confident78.2Confident122 Ų12286 Ų8657%0.5751%0.505SS*.EExtended strand (participates in β ladder)trans-107132.6-175.9-54.8177.3146.300110.2G20 Y109 D111G20-E22 VanDerWaalsContact C-N 3.29Å; E22-Y109 HydrophobicContact CB-CE2 4.07Å; E22-Y109 WeakPolarHBondContact CG-OH 3.36Å; E22-Y109 PolarHBondContact OE1-OH 3.03Å; E22-D111 HydrophobicContact CG-CB 4.26Å
23L89.6Confident79.6Confident71 Ų7182.9 Ų82.937%0.37249%0.487SS..EExtended strand (participates in β ladder)trans-135.3130.6179.5178.465.1000110.2F25 Y35 M110L23-F25 HydrophobicContact CD2-CD1 4.32Å; L23-F25 HydrophobicContact CG-CB 4.47Å; L23-F25 HydrophobicContact CG-CD1 4.37Å; L23-Y35 HydrophobicContact CD2-CD1 4.22Å; L23-Y35 HydrophobicContact CD2-CE1 3.43Å; L23-Y35 VanDerWaalsContact CD2-CE1 3.43Å; L23-M110 HydrophobicContact CD2-CE 4.46Å; L23-M110 PolarHBondContact N-O 2.87Å; L23-M110 PolarHBondContact O-N 3.33Å
24T93.5Very high81.1Confident68 Ų6881.4 Ų81.442%0.41748%0.475SS..EExtended strand (participates in β ladder)trans-107.5125.8164.4-55.90000109I52 M107 V108T24-I52 HydrophobicContact CG2-CD1 3.55Å; T24-M107 HydrophobicContact CG2-CE 4Å; T24-V108 WeakPolarHBondContact CA-O 3.39Å
25F94.5Very high82.6Confident16 Ų1677.5 Ų77.57%0.0745%0.452CS..EExtended strand (participates in β ladder)trans-133.2156.1-177.967.2-86.9000111.9L23 L27 Q33 Y35 F96 M107 V108 M110L23-F25 HydrophobicContact CD2-CD1 4.32Å; L23-F25 HydrophobicContact CG-CB 4.47Å; L23-F25 HydrophobicContact CG-CD1 4.37Å; F25-L27 HydrophobicContact CD2-CB 4.41Å; F25-L27 HydrophobicContact CE2-CB 4.04Å; F25-Q33 HydrophobicContact CE2-CB 4.1Å; F25-Y35 WeakPolarHBondContact CB-OH 3.46Å; F25-Y35 AromaticContact CD1-CE2 3.96Å; F25-Y35 HydrophobicContact CD1-CE2 3.96Å; F25-Y35 AromaticContact CD1-CZ 3.97Å; F25-Y35 WeakPolarHBondContact CD1-OH 3.42Å; F25-Y35 HydrophobicContact CD2-CE2 4.41Å; F25-Y35 WeakPolarHBondContact CD2-OH 3.49Å; F25-Y35 AromaticContact CE1-CE2 3.69Å; F25-Y35 HydrophobicContact CE1-CE2 3.69Å; F25-Y35 HydrophobicContact CE2-CE2 4.16Å; F25-Y35 HydrophobicContact CG-CE2 4.32Å; F25-Y35 WeakPolarHBondContact CG-OH 3.32Å; F25-Y35 AromaticContact CZ-CE2 3.8Å; F25-Y35 HydrophobicContact CZ-CE2 3.8Å; F25-F96 HydrophobicContact CE1-CD2 4.3Å; F25-F96 HydrophobicContact CE1-CE2 4.36Å; F25-F96 HydrophobicContact CE2-CB 4.47Å; F25-F96 HydrophobicContact CZ-CB 4.09Å; F25-F96 HydrophobicContact CZ-CD1 4.35Å; F25-F96 AromaticContact CZ-CD2 3.67Å; F25-F96 HydrophobicContact CZ-CD2 3.67Å; F25-F96 HydrophobicContact CZ-CE2 4.16Å; F25-F96 AromaticContact CZ-CG 3.78Å; F25-F96 HydrophobicContact CZ-CG 3.78Å; F25-M107 WeakPolarHBondContact O-CA 3.3Å; F25-V108 HydrophobicContact CD1-CB 4.42Å; F25-V108 WeakPolarHBondContact CD1-O 3.46Å; F25-V108 HydrophobicContact CE1-CB 3.84Å; F25-V108 HydrophobicContact CE1-CG1 3.94Å; F25-V108 HydrophobicContact CE2-CB 4.11Å; F25-V108 HydrophobicContact CE2-CG2 4.46Å; F25-V108 HydrophobicContact CZ-CB 3.66Å; F25-V108 HydrophobicContact CZ-CG1 3.89Å; F25-V108 HydrophobicContact CZ-CG2 4.32Å; F25-V108 PolarHBondContact N-O 2.67Å; F25-V108 PolarHBondContact O-N 3.26Å; F25-M110 HydrophobicContact CE1-CB 4.14Å
26E94.9Very high84.3Confident115 Ų11579.2 Ų79.254%0.53745%0.446SS..EExtended strand (participates in β ladder)trans-89.6128.6172.5-168.3172.9-178.700109.6H105 M107E26-H105 IonicContact OE1-CD2 3.08Å; E26-M107 HydrophobicContact CB-SD 3.55Å; E26-M107 VanDerWaalsContact CB-SD 3.55Å; E26-M107 HydrophobicContact CG-SD 3.78Å
27L95.8Very high86.1Confident0 Ų076.3 Ų76.30%043%0.428CS..EExtended strand (participates in β ladder)trans-110.8103.5176.3-176.558.1000108.5F25 Q33 V59 F96 N98 K106 V108F25-L27 HydrophobicContact CD2-CB 4.41Å; F25-L27 HydrophobicContact CE2-CB 4.04Å; L27-Q33 HydrophobicContact CD1-CB 3.86Å; L27-Q33 HydrophobicContact CD1-CG 3.61Å; L27-V59 HydrophobicContact CD2-CG2 3.72Å; L27-F96 HydrophobicContact CD2-CB 3.91Å; L27-N98 HydrophobicContact CD1-CB 4.5Å; L27-N98 HydrophobicContact CD2-CB 3.63Å; L27-N98 HydrophobicContact CG-CB 3.65Å; L27-N98 PolarHBondContact O-ND2 2.91Å; L27-K106 PolarHBondContact N-O 2.88Å; L27-K106 PolarHBondContact O-N 3.49Å; L27-V108 HydrophobicContact CB-CG2 4.33Å; L27-V108 HydrophobicContact CD2-CG2 4.34Å
28P94.9Very high87.9Confident26 Ų2674.4 Ų74.417%0.16942%0.415CS..  trans-60.9167.7-179.6-24.835.7000112.9Q31 N98 H105P28-Q31 HydrophobicContact CB-CB 4.18Å; P28-Q31 HydrophobicContact CB-CG 4.12Å; P28-N98 WeakPolarHBondContact O-CB 3.46Å; P28-N98 PolarHBondContact O-ND2 2.6Å; P28-H105 WeakPolarHBondContact CA-ND1 3.32Å
29D92.3Very high89.7Confident46 Ų4669 Ų6925%0.24638%0.378CS..THydrogen-bonded Turntrans-71.9149.9173.665-49.8000109.1Q31 S101 H105D29-Q31 PolarHBondContact O-N 3.31Å; D29-Q31 VanDerWaalsContact O-N 3.07Å; D29-S101 WeakPolarHBondContact CB-O 3.15Å; D29-H105 PolarHBondContact N-ND1 3.09Å; D29-H105 IonicContact OD1-CE1 2.88Å; D29-H105 PolarHBondContact OD1-CE1 3.18Å; D29-H105 IonicContact OD1-ND1 2.84Å; D29-H105 PolarHBondContact OD1-ND1 2.88Å; D29-H105 VanDerWaalsContact OD1-ND1 3.08Å
30N92.8Very high91.2Very high106 Ų10673 Ų7357%0.56738%0.378SS*.THydrogen-bonded Turntrans54.128.6-178.9-154.879.9000114.9N98 E99 S101N30-N98 PolarHBondContact N-O 2.74Å; N30-E99 PolarHBondContact OD1-O 3.15Å; N30-S101 PolarHBondContact N-O 3.08Å
31Q95.3Very high92.7Very high89 Ų8977.6 Ų77.642%0.41638%0.379SS..  trans-130.7159.4-178.1-76.3-171.736.200113.3P28 D29 N98P28-Q31 HydrophobicContact CB-CB 4.18Å; P28-Q31 HydrophobicContact CB-CG 4.12Å; D29-Q31 PolarHBondContact O-N 3.31Å; D29-Q31 VanDerWaalsContact O-N 3.07Å; Q31-N98 PolarHBondContact O-N 3.41Å
32V96.3Very high93.6Very high58 Ų5875.8 Ų75.835%0.35238%0.377SS..EExtended strand (participates in β ladder)trans-123.4133174.9-173.50000108.7C95 F96 E99V32-C95 HydrophobicContact CG1-CB 4.1Å; V32-F96 CarbonylContact C-O 3.59Å; V32-F96 VanDerWaalsContact CA-O 3.32Å; V32-F96 WeakPolarHBondContact CA-O 3.37Å; V32-F96 WeakPolarHBondContact CG1-O 3.43Å; V32-E99 VanDerWaalsContact CG2-CD 3.46Å; V32-E99 HydrophobicContact CG2-CG 3.71Å
33Q96.5Very high93.9Very high71 Ų7171.9 Ų71.933%0.33236%0.362SS..EExtended strand (participates in β ladder)trans-117133.7172.5-73.3-66.3-9.300110.2F25 L27 C95 F96F25-Q33 HydrophobicContact CE2-CB 4.1Å; L27-Q33 HydrophobicContact CD1-CB 3.86Å; L27-Q33 HydrophobicContact CD1-CG 3.61Å; Q33-C95 CarbonylContact O-C 3.53Å; Q33-C95 WeakPolarHBondContact O-CA 3.07Å; Q33-F96 PolarHBondContact N-O 2.8Å; Q33-F96 PolarHBondContact O-N 3.09Å
34C96.6Very high93.9Very high37 Ų3771.8 Ų71.825%0.2536%0.362CS..EExtended strand (participates in β ladder)trans-127.3136.8-177.2-58.80000111.7Y36 V94 C95C34-Y36 HydrophobicContact CB-CE2 4.06Å; C34-V94 CarbonylContact C-O 3.6Å; C34-V94 WeakPolarHBondContact CA-O 3.31Å; C34-C95 HydrophobicContact CB-CB 4.17Å; C34-C95 WeakPolarHBondContact CB-SG 3.39Å; C34-C95 WeakPolarHBondContact SG-CB 3.38Å; C34-C95 CovalentContact SG-SG 2.04Å; C34-C95 PolarHBondContact SG-SG 2.81Å
35Y95.6Very high93.8Very high56 Ų5668.6 Ų68.622%0.2234%0.342CS..EExtended strand (participates in β ladder)trans-115.6149.5177-62.2-81.9000110L23 F25 K93 V94 F96 M110L23-Y35 HydrophobicContact CD2-CD1 4.22Å; L23-Y35 HydrophobicContact CD2-CE1 3.43Å; L23-Y35 VanDerWaalsContact CD2-CE1 3.43Å; F25-Y35 WeakPolarHBondContact CB-OH 3.46Å; F25-Y35 AromaticContact CD1-CE2 3.96Å; F25-Y35 HydrophobicContact CD1-CE2 3.96Å; F25-Y35 AromaticContact CD1-CZ 3.97Å; F25-Y35 WeakPolarHBondContact CD1-OH 3.42Å; F25-Y35 HydrophobicContact CD2-CE2 4.41Å; F25-Y35 WeakPolarHBondContact CD2-OH 3.49Å; F25-Y35 AromaticContact CE1-CE2 3.69Å; F25-Y35 HydrophobicContact CE1-CE2 3.69Å; F25-Y35 HydrophobicContact CE2-CE2 4.16Å; F25-Y35 HydrophobicContact CG-CE2 4.32Å; F25-Y35 WeakPolarHBondContact CG-OH 3.32Å; F25-Y35 AromaticContact CZ-CE2 3.8Å; F25-Y35 HydrophobicContact CZ-CE2 3.8Å; Y35-K93 WeakPolarHBondContact O-CA 3.49Å; Y35-V94 PolarHBondContact N-O 2.97Å; Y35-V94 PolarHBondContact O-N 2.92Å; Y35-F96 HydrophobicContact CD2-CD2 4.32Å; Y35-F96 HydrophobicContact CD2-CE2 4.32Å; Y35-F96 HydrophobicContact CE2-CD2 4.43Å; Y35-M110 HydrophobicContact CD1-CE 4.29Å; Y35-M110 HydrophobicContact CD2-CE 3.86Å; Y35-M110 HydrophobicContact CD2-SD 4.01Å; Y35-M110 HydrophobicContact CE2-CE 4.36Å; Y35-M110 HydrophobicContact CG-CE 3.83Å; Y35-M110 HydrophobicContact CG-SD 4.43Å
36Y95.3Very high93.7Very high136 Ų13668.7 Ų68.753%0.53334%0.344SS..EExtended strand (participates in β ladder)trans-132.4133.9-173.3-58.7-96.7000109.1C34 T91 Y92 K93C34-Y36 HydrophobicContact CB-CE2 4.06Å; Y36-T91 HydrophobicContact CD1-CG2 4.15Å; Y36-Y92 VanDerWaalsContact CA-O 3.28Å; Y36-Y92 WeakPolarHBondContact CA-O 3.3Å; Y36-K93 HydrophobicContact CD1-CB 3.87Å; Y36-K93 HydrophobicContact CD1-CD 4.43Å; Y36-K93 HydrophobicContact CD1-CG 3.97Å; Y36-K93 HydrophobicContact CE1-CB 3.89Å; Y36-K93 HydrophobicContact CE1-CD 3.61Å; Y36-K93 HydrophobicContact CE1-CG 3.54Å
37E92.7Very high93.6Very high93 Ų9363.2 Ų63.244%0.43532%0.318SS..EExtended strand (participates in β ladder)trans-137.2135.8178.6-169.361.2-155.400109.6I39 T91 Y92 W112 V114E37-I39 HydrophobicContact CB-CG1 4.44Å; E37-I39 HydrophobicContact CG-CG1 4.12Å; E37-T91 CarbonylContact O-C 3.56Å; E37-T91 WeakPolarHBondContact O-CA 3.21Å; E37-Y92 PolarHBondContact N-O 3.49Å; E37-Y92 PolarHBondContact O-N 2.93Å; E37-W112 HydrophobicContact CB-CD2 4.12Å; E37-W112 HydrophobicContact CB-CE3 4.01Å; E37-W112 HydrophobicContact CB-CH2 3.38Å; E37-W112 HydrophobicContact CB-CZ2 3.5Å; E37-W112 VanDerWaalsContact CB-CZ2 3.5Å; E37-W112 HydrophobicContact CB-CZ3 3.65Å; E37-W112 HydrophobicContact CG-CZ2 4.4Å; E37-V114 HydrophobicContact CG-CG2 3.97Å
38E93.4Very high93.4Very high121 Ų12166.8 Ų66.857%0.56534%0.335SS*.EExtended strand (participates in β ladder)trans-88.4117.3177-169.871.6-165.200109.2G90 T91E38-G90 VanDerWaalsContact CD-C 3.46Å; E38-G90 VanDerWaalsContact OE1-CA 3.24Å; E38-G90 WeakPolarHBondContact OE1-CA 3.43Å; E38-T91 VanDerWaalsContact OE2-CA 3.3Å; E38-T91 WeakPolarHBondContact OE2-CA 3.37Å; E38-T91 WeakPolarHBondContact OE2-CB 3.38Å; E38-T91 PolarHBondContact OE2-N 2.97Å; E38-T91 VanDerWaalsContact OE2-N 3.07Å; E38-T91 PolarHBondContact OE2-OG1 2.74Å
39I93.3Very high93.4Very high3 Ų365.9 Ų65.92%0.01533%0.328CS..EExtended strand (participates in β ladder)trans-121.6130.6-175.8-49.2176.4000110.2E37 V43 F45 T86 G89 G90 Y92 W112 V114E37-I39 HydrophobicContact CB-CG1 4.44Å; E37-I39 HydrophobicContact CG-CG1 4.12Å; I39-V43 HydrophobicContact CG2-CB 4.1Å; I39-V43 HydrophobicContact CG2-CG1 4.38Å; I39-F45 HydrophobicContact CD1-CB 4.1Å; I39-F45 HydrophobicContact CD1-CD1 3.56Å; I39-F45 HydrophobicContact CD1-CE1 4.07Å; I39-F45 HydrophobicContact CD1-CG 3.89Å; I39-T86 HydrophobicContact CB-CG2 4Å; I39-T86 HydrophobicContact CD1-CG2 4.43Å; I39-T86 HydrophobicContact CG2-CG2 3.41Å; I39-T86 VanDerWaalsContact CG2-CG2 3.41Å; I39-G89 VanDerWaalsContact O-CA 3.3Å; I39-G89 WeakPolarHBondContact O-CA 3.21Å; I39-G90 PolarHBondContact N-O 2.89Å; I39-G90 PolarHBondContact O-N 2.69Å; I39-Y92 HydrophobicContact CB-CD2 3.94Å; I39-Y92 HydrophobicContact CB-CE2 4.11Å; I39-Y92 HydrophobicContact CD1-CD2 3.87Å; I39-Y92 HydrophobicContact CD1-CE2 4.49Å; I39-Y92 HydrophobicContact CD1-CG 4.1Å; I39-Y92 HydrophobicContact CG1-CD2 4.02Å; I39-W112 HydrophobicContact CD1-CZ2 4Å; I39-V114 HydrophobicContact CB-CG1 4.38Å; I39-V114 HydrophobicContact CD1-CG1 4.45Å; I39-V114 HydrophobicContact CD1-CG2 3.83Å; I39-V114 HydrophobicContact CG1-CG1 4.1Å; I39-V114 HydrophobicContact CG1-CG2 3.96Å; I39-V114 HydrophobicContact CG2-CG1 3.61Å
40E93Very high93.5Very high157 Ų15767.9 Ų67.973%0.73434%0.336SS*.  trans-69.3155.3174.2-65.2-172178.300111.9V43 T86E40-V43 HydrophobicContact CB-CG2 4.06Å; E40-T86 PolarHBondContact O-OG1 2.91Å
41K93.5Very high93.6Very high159 Ų15963.2 Ų63.269%0.69131%0.311SS*.THydrogen-bonded Turntrans-68.3135179.2177.6173177.8170.20111.6V43 V87K41-V43 VanDerWaalsContact C-N 3.34Å; K41-V87 WeakPolarHBondContact CD-O 3.38Å; K41-V87 WeakPolarHBondContact CE-O 3Å; K41-V87 WeakPolarHBondContact CG-O 3.47Å
42G91Very high93.4Very high42 Ų4263.2 Ų63.243%0.43331%0.313SS..THydrogen-bonded Turntrans86.54.8175.400000114.3T86G42-T86 WeakPolarHBondContact CA-O 3.39Å; G42-T86 PolarHBondContact N-O 2.91Å; G42-T86 PolarHBondContact N-OG1 2.98Å
43V90.9Very high93.2Very high40 Ų4063.8 Ų63.824%0.24232%0.317CS..  trans-89.5138.5174.5-178.40000109.1I39 E40 K41 T86 V114I39-V43 HydrophobicContact CG2-CB 4.1Å; I39-V43 HydrophobicContact CG2-CG1 4.38Å; E40-V43 HydrophobicContact CB-CG2 4.06Å; K41-V43 VanDerWaalsContact C-N 3.34Å; V43-T86 PolarHBondContact N-OG1 2.88Å; V43-T86 WeakPolarHBondContact O-CB 3.28Å; V43-T86 WeakPolarHBondContact O-CG2 3.43Å; V43-T86 PolarHBondContact O-N 3.39Å; V43-T86 PolarHBondContact O-OG1 2.8Å; V43-V114 HydrophobicContact CG1-CG1 3.81Å
44D90.8Very high92.7Very high69 Ų6961 Ų6137%0.36931%0.307SS..EExtended strand (participates in β ladder)trans-87141.5173.7-64.1-18.2000108.8K85 G115D44-K85 WeakPolarHBondContact OD1-CA 3.26Å; D44-K85 WeakPolarHBondContact OD1-CB 3.48Å; D44-K85 VanDerWaalsContact OD1-CD 3.22Å; D44-K85 WeakPolarHBondContact OD1-CD 3.48Å; D44-K85 WeakPolarHBondContact OD1-CG 3.33Å; D44-K85 IonicContact OD1-NZ 3.97Å; D44-G115 PolarHBondContact O-N 2.62Å
45F90.9Very high92.2Very high0 Ų061.4 Ų61.40%032%0.318CS..EExtended strand (participates in β ladder)trans-127.7150.5170.474.6-99.4000111.1I39 V63 F82 T83 W84 T86 Y92 W112 Q113 V114I39-F45 HydrophobicContact CD1-CB 4.1Å; I39-F45 HydrophobicContact CD1-CD1 3.56Å; I39-F45 HydrophobicContact CD1-CE1 4.07Å; I39-F45 HydrophobicContact CD1-CG 3.89Å; F45-V63 HydrophobicContact CZ-CG1 4.42Å; F45-F82 HydrophobicContact CE2-CD1 4.14Å; F45-F82 HydrophobicContact CE2-CE1 4.09Å; F45-F82 HydrophobicContact CZ-CE1 4.11Å; F45-T83 WeakPolarHBondContact O-CA 3.22Å; F45-W84 HydrophobicContact CD1-CB 4.33Å; F45-W84 HydrophobicContact CE1-CB 3.76Å; F45-W84 AromaticContact CE1-CD1 3.65Å; F45-W84 HydrophobicContact CE1-CG 4.06Å; F45-W84 HydrophobicContact CE2-CB 4.12Å; F45-W84 HydrophobicContact CZ-CB 3.63Å; F45-W84 HydrophobicContact CZ-CG 4.14Å; F45-W84 PolarHBondContact N-O 2.81Å; F45-W84 PolarHBondContact O-N 3.11Å; F45-T86 HydrophobicContact CD1-CG2 3.68Å; F45-T86 HydrophobicContact CE1-CG2 3.94Å; F45-Y92 AromaticContact CE1-CD1 3.93Å; F45-Y92 HydrophobicContact CE1-CD1 3.93Å; F45-Y92 AromaticContact CE1-CE1 3.84Å; F45-Y92 HydrophobicContact CE1-CE1 3.84Å; F45-Y92 HydrophobicContact CE1-CG 4.46Å; F45-Y92 HydrophobicContact CZ-CD1 4.1Å; F45-Y92 HydrophobicContact CZ-CE1 4.31Å; F45-W112 AromaticContact CD2-NE1 3.55Å; F45-W112 AromaticContact CG-NE1 3.92Å; F45-Q113 CarbonylContact C-O 3.58Å; F45-Q113 WeakPolarHBondContact CA-O 3.3Å; F45-Q113 VanDerWaalsContact CB-O 3.3Å; F45-Q113 WeakPolarHBondContact CB-O 3.09Å; F45-V114 HydrophobicContact CB-CG2 4.13Å
46V91.3Very high91.9Very high18 Ų1865.2 Ų65.211%0.10934%0.338CS..EExtended strand (participates in β ladder)trans-123.6125.6176.8-175.70000107.7E48 F82 T83 Q113 V117V46-E48 HydrophobicContact CG1-CG 3.86Å; V46-F82 WeakPolarHBondContact CA-O 3.21Å; V46-T83 HydrophobicContact CG2-CG2 4.05Å; V46-Q113 PolarHBondContact N-O 2.79Å; V46-Q113 PolarHBondContact O-N 3.44Å; V46-V117 HydrophobicContact CB-CG2 4.4Å; V46-V117 HydrophobicContact CG2-CB 4.19Å; V46-V117 HydrophobicContact CG2-CG1 4.24Å; V46-V117 HydrophobicContact CG2-CG2 3.94Å
47L92.5Very high91.8Very high0 Ų064 Ų640%033%0.333CS..EExtended strand (participates in β ladder)trans-111.8120.2172.8174.670.6000108.4L61 V63 S81 F82 V94 M110 D111 W112L47-L61 HydrophobicContact CD2-CD1 4.34Å; L47-L61 HydrophobicContact CD2-CD2 3.96Å; L47-V63 HydrophobicContact CD2-CG2 3.69Å; L47-S81 CarbonylContact O-C 3.58Å; L47-S81 WeakPolarHBondContact O-CA 3.17Å; L47-F82 PolarHBondContact N-O 2.89Å; L47-F82 PolarHBondContact O-N 2.83Å; L47-V94 HydrophobicContact CD1-CG1 4.24Å; L47-V94 HydrophobicContact CD1-CG2 4.46Å; L47-V94 HydrophobicContact CD2-CB 4.42Å; L47-V94 HydrophobicContact CD2-CG1 3.57Å; L47-V94 HydrophobicContact CD2-CG2 3.88Å; L47-M110 HydrophobicContact CD1-CG 3.74Å; L47-M110 HydrophobicContact CD1-SD 3.94Å; L47-D111 WeakPolarHBondContact CA-O 3.4Å; L47-W112 HydrophobicContact CD1-CB 4.14Å; L47-W112 HydrophobicContact CD1-CG 4.26Å
48E93.2Very high91.8Very high76 Ų7660.1 Ų60.136%0.35532%0.315SS..EExtended strand (participates in β ladder)trans-118.4141.9173.7-50.8-153.412900110V46 G80 S81 M110 D111V46-E48 HydrophobicContact CG1-CG 3.86Å; E48-G80 WeakPolarHBondContact CA-O 3.45Å; E48-S81 WeakPolarHBondContact OE1-CB 3.3Å; E48-S81 PolarHBondContact OE1-OG 2.86Å; E48-M110 CarbonylContact O-C 3.5Å; E48-M110 WeakPolarHBondContact O-CA 3.47Å; E48-D111 HydrophobicContact CB-CB 4.45Å; E48-D111 PolarHBondContact N-O 2.84Å; E48-D111 PolarHBondContact O-N 2.83Å
49F93.9Very high91.9Very high7 Ų754.4 Ų54.43%0.03129%0.288CS..EExtended strand (participates in β ladder)trans-143.6151.1176.474.6-80.3000112V59 L61 K77 F79 G80 F96 Y109F49-V59 HydrophobicContact CD2-CG1 3.84Å; F49-V59 HydrophobicContact CE2-CG1 3.61Å; F49-L61 HydrophobicContact CD1-CD2 3.52Å; F49-L61 HydrophobicContact CE1-CB 4.46Å; F49-L61 HydrophobicContact CE1-CD2 3.34Å; F49-L61 HydrophobicContact CE1-CG 4.49Å; F49-L61 HydrophobicContact CG-CD2 4.36Å; F49-L61 HydrophobicContact CZ-CB 4.39Å; F49-L61 HydrophobicContact CZ-CD2 4.08Å; F49-K77 HydrophobicContact CE2-CB 4.25Å; F49-K77 HydrophobicContact CZ-CB 3.94Å; F49-F79 CarbonylContact O-C 3.6Å; F49-F79 WeakPolarHBondContact O-CA 3.49Å; F49-F79 WeakPolarHBondContact O-CB 3.45Å; F49-G80 WeakPolarHBondContact CD1-O 3.44Å; F49-G80 PolarHBondContact N-O 2.84Å; F49-G80 PolarHBondContact O-N 2.8Å; F49-F96 HydrophobicContact CB-CE1 3.65Å; F49-F96 HydrophobicContact CB-CZ 4.01Å; F49-F96 HydrophobicContact CD2-CE1 4.09Å; F49-F96 AromaticContact CG-CE1 3.88Å; F49-F96 HydrophobicContact CG-CE1 3.88Å; F49-Y109 CarbonylContact C-O 3.5Å; F49-Y109 WeakPolarHBondContact CA-O 3.42Å
50Q94.6Very high92.1Very high88 Ų8856 Ų5641%0.41130%0.297SS..EExtended strand (participates in β ladder)trans-149.5132.5174.1-177.2172.626.200110.5I52 F79 Y109Q50-I52 PolarHBondContact O-N 3.31Å; Q50-F79 HydrophobicContact CB-CB 4.27Å; Q50-F79 HydrophobicContact CG-CB 4.24Å; Q50-Y109 PolarHBondContact N-O 3.15Å; Q50-Y109 WeakPolarHBondContact O-CB 3.36Å; Q50-Y109 PolarHBondContact O-N 3.04Å
51V94Very high92.3Very high8 Ų848.6 Ų48.65%0.04826%0.262CS..EExtended strand (participates in β ladder)trans-80.7117.4170.6-1720000108.6Y57 V59 Q78 K106 V108V51-Y57 WeakPolarHBondContact CB-O 3.1Å; V51-Y57 VanDerWaalsContact CG2-O 3.29Å; V51-Y57 WeakPolarHBondContact CG2-O 3.49Å; V51-V59 HydrophobicContact CG2-CB 3.97Å; V51-V59 HydrophobicContact CG2-CG1 3.75Å; V51-Q78 PolarHBondContact N-O 2.92Å; V51-K106 HydrophobicContact CG1-CB 4.19Å; V51-K106 HydrophobicContact CG1-CD 4.35Å; V51-K106 HydrophobicContact CG1-CG 4.35Å; V51-V108 HydrophobicContact CG2-CG2 4.36Å
52I92.6Very high92.5Very high89 Ų8942.2 Ų42.246%0.45624%0.237SC..EExtended strand (participates in β ladder)trans-81.3-45.1-177.5-53.8177.9000110.5T24 Q50 Y57 M107T24-I52 HydrophobicContact CG2-CD1 3.55Å; Q50-I52 PolarHBondContact O-N 3.31Å; I52-Y57 WeakPolarHBondContact O-CE1 3.21Å; I52-M107 HydrophobicContact CB-CB 4.28Å; I52-M107 PolarHBondContact N-O 3.2Å
53T91Very high92.8Very high69 Ų6940.2 Ų40.242%0.42322%0.216SC..EExtended strand (participates in β ladder)trans-148.7157.8-176.7-161.50000112K106 M107T53-K106 CarbonylContact O-C 3.6Å; T53-K106 VanDerWaalsContact O-CA 3.25Å; T53-K106 WeakPolarHBondContact O-CA 3.25Å; T53-M107 HydrophobicContact CG2-CB 3.65Å; T53-M107 HydrophobicContact CG2-CG 3.43Å; T53-M107 VanDerWaalsContact CG2-CG 3.43Å; T53-M107 PolarHBondContact O-N 3.16Å
54G87.6Confident93.1Very high13 Ų1340.5 Ų40.513%0.13422%0.215CC..SBendtrans109.5130.3173.300000114.6Q56 Y57 H105G54-Q56 PolarHBondContact O-N 2.81Å; G54-Y57 WeakPolarHBondContact O-CA 3.34Å; G54-Y57 PolarHBondContact O-N 2.81Å; G54-H105 WeakPolarHBondContact CA-O 3.09Å
55G85.5Confident93.3Very high46 Ų4637.7 Ų37.747%0.47420%0.201SC..THydrogen-bonded Turntrans54.7-128.8171.300000114Y57G55-Y57 VanDerWaalsContact C-N 3.26Å
56Q89.7Confident93.5Very high136 Ų13640.2 Ų40.264%0.63622%0.217SC*.THydrogen-bonded Turntrans-90.314.2175-63.8-173.6-9.400113.1G54 D58 Q78G54-Q56 PolarHBondContact O-N 2.81Å; Q56-D58 PolarHBondContact O-N 2.04Å; Q56-Q78 PolarHBondContact O-NE2 2.95Å
57Y91.5Very high93.6Very high111 Ų11143.5 Ų43.544%0.43524%0.241SC..SBendtrans59.125.9-176.2-52.8-93.2000113.8V51 I52 G54 G55 Q78V51-Y57 WeakPolarHBondContact CB-O 3.1Å; V51-Y57 VanDerWaalsContact CG2-O 3.29Å; V51-Y57 WeakPolarHBondContact CG2-O 3.49Å; I52-Y57 WeakPolarHBondContact O-CE1 3.21Å; G54-Y57 WeakPolarHBondContact O-CA 3.34Å; G54-Y57 PolarHBondContact O-N 2.81Å; G55-Y57 VanDerWaalsContact C-N 3.26Å; Y57-Q78 WeakPolarHBondContact O-CA 3.39Å; Y57-Q78 VanDerWaalsContact O-CB 3.23Å; Y57-Q78 WeakPolarHBondContact O-CB 3.1Å; Y57-Q78 VanDerWaalsContact O-CG 3.24Å; Y57-Q78 WeakPolarHBondContact O-CG 3.39Å
58D94.1Very high93.6Very high11 Ų1145.9 Ų45.96%0.05927%0.265CS..  trans-105152.8-174.657.8-14.2000112.7Q56 R76 K77 F100 K106Q56-D58 PolarHBondContact O-N 2.04Å; D58-R76 HydrophobicContact CB-CB 3.97Å; D58-K77 CarbonylContact C-O 3.57Å; D58-K77 WeakPolarHBondContact CA-O 3.43Å; D58-F100 HydrophobicContact CB-CZ 4.35Å; D58-F100 VanDerWaalsContact CG-CE2 3.45Å; D58-F100 VanDerWaalsContact OD1-CE2 3.26Å; D58-F100 WeakPolarHBondContact OD1-CE2 3.23Å; D58-F100 WeakPolarHBondContact OD2-CE2 3.18Å; D58-K106 WeakPolarHBondContact O-CD 3.36Å; D58-K106 WeakPolarHBondContact O-CE 3.38Å; D58-K106 PolarHBondContact O-NZ 3.49Å; D58-K106 IonicContact OD1-NZ 2.69Å; D58-K106 PolarHBondContact OD1-NZ 3.36Å
59V95.6Very high93.7Very high0 Ų048.4 Ų48.40%028%0.277CS..EExtended strand (participates in β ladder)trans-148.8151173.769.60000110.1L27 F49 V51 R76 K77 F96 S97L27-V59 HydrophobicContact CD2-CG2 3.72Å; F49-V59 HydrophobicContact CD2-CG1 3.84Å; F49-V59 HydrophobicContact CE2-CG1 3.61Å; V51-V59 HydrophobicContact CG2-CB 3.97Å; V51-V59 HydrophobicContact CG2-CG1 3.75Å; V59-R76 PolarHBondContact O-N 3.13Å; V59-K77 PolarHBondContact N-O 2.86Å; V59-K77 PolarHBondContact O-N 2.89Å; V59-F96 HydrophobicContact CG1-CD1 4.2Å; V59-F96 HydrophobicContact CG2-CB 4.02Å; V59-F96 HydrophobicContact CG2-CD1 4.14Å; V59-S97 WeakPolarHBondContact CG2-O 3.45Å
60D96.9Very high93.8Very high38 Ų3852.4 Ų52.420%0.20330%0.298CS..EExtended strand (participates in β ladder)trans-91.9126.8171.1-68.7-6.5000108.4E74 I75 R76 F96 S97 F100D60-E74 WeakPolarHBondContact CA-O 3.47Å; D60-I75 VanDerWaalsContact OD1-CA 3.3Å; D60-I75 WeakPolarHBondContact OD1-CA 3.34Å; D60-R76 PolarHBondContact OD1-N 2.87Å; D60-F96 CarbonylContact O-C 3.34Å; D60-F96 WeakPolarHBondContact O-CA 3.46Å; D60-S97 PolarHBondContact N-O 2.92Å; D60-S97 VanDerWaalsContact N-O 3.12Å; D60-S97 PolarHBondContact O-N 3.12Å; D60-F100 HydrophobicContact CB-CE1 4.5Å
61L97Very high93.8Very high0 Ų049.6 Ų49.60%029%0.286CS..EExtended strand (participates in β ladder)trans-115.4133.8-179.8179.865.1000109.7L47 F49 V63 Y72 K73 E74 V94 C95 F96L47-L61 HydrophobicContact CD2-CD1 4.34Å; L47-L61 HydrophobicContact CD2-CD2 3.96Å; F49-L61 HydrophobicContact CD1-CD2 3.52Å; F49-L61 HydrophobicContact CE1-CB 4.46Å; F49-L61 HydrophobicContact CE1-CD2 3.34Å; F49-L61 HydrophobicContact CE1-CG 4.49Å; F49-L61 HydrophobicContact CG-CD2 4.36Å; F49-L61 HydrophobicContact CZ-CB 4.39Å; F49-L61 HydrophobicContact CZ-CD2 4.08Å; L61-V63 HydrophobicContact CG-CG2 4.48Å; L61-Y72 HydrophobicContact CD2-CD1 4.09Å; L61-Y72 HydrophobicContact CD2-CE1 4.04Å; L61-K73 CarbonylContact O-C 3.49Å; L61-K73 VanDerWaalsContact O-CA 3.3Å; L61-K73 WeakPolarHBondContact O-CA 3.43Å; L61-E74 HydrophobicContact CB-CB 4.42Å; L61-E74 PolarHBondContact N-O 3.07Å; L61-E74 PolarHBondContact O-N 2.8Å; L61-V94 HydrophobicContact CD1-CG1 3.52Å; L61-C95 WeakPolarHBondContact CA-O 3.17Å; L61-F96 HydrophobicContact CD1-CD1 3.85Å; L61-F96 HydrophobicContact CD1-CD2 4.3Å; L61-F96 HydrophobicContact CD1-CE1 3.54Å; L61-F96 HydrophobicContact CD1-CE2 4.01Å; L61-F96 HydrophobicContact CD1-CG 4.22Å; L61-F96 HydrophobicContact CD1-CZ 3.63Å
62T97.5Very high93.8Very high26 Ų2651.6 Ų51.616%0.1629%0.293CS..EExtended strand (participates in β ladder)trans-132.4130.3171.2-55.80000110E64 I70 Y72 V94 C95T62-E64 HydrophobicContact CG2-CG 4.18Å; T62-I70 HydrophobicContact CG2-CD1 4.46Å; T62-I70 HydrophobicContact CG2-CG1 4.22Å; T62-I70 HydrophobicContact CG2-CG2 3.98Å; T62-Y72 WeakPolarHBondContact CA-O 3.44Å; T62-V94 CarbonylContact O-C 3.58Å; T62-V94 WeakPolarHBondContact O-CA 3.45Å; T62-C95 PolarHBondContact N-O 2.74Å; T62-C95 PolarHBondContact O-N 3.31Å
63V97.1Very high94Very high0 Ų053.3 Ų53.30%030%0.297CS..EExtended strand (participates in β ladder)trans-114.2124.9175.2-174.50000108.7F45 L47 L61 I70 L71 Y72 F82 K93 V94F45-V63 HydrophobicContact CZ-CG1 4.42Å; L47-V63 HydrophobicContact CD2-CG2 3.69Å; L61-V63 HydrophobicContact CG-CG2 4.48Å; V63-I70 CarbonylContact O-C 3.56Å; V63-I70 WeakPolarHBondContact O-CA 3.3Å; V63-L71 PolarHBondContact O-N 2.89Å; V63-Y72 HydrophobicContact CG2-CD1 4.24Å; V63-Y72 PolarHBondContact N-O 3.47Å; V63-Y72 PolarHBondContact O-N 2.84Å; V63-F82 HydrophobicContact CB-CE1 4.38Å; V63-F82 HydrophobicContact CG1-CE1 4.11Å; V63-F82 HydrophobicContact CG2-CD1 4.19Å; V63-F82 HydrophobicContact CG2-CE1 4.45Å; V63-K93 CarbonylContact C-O 3.59Å; V63-K93 WeakPolarHBondContact CA-O 3.45Å; V63-V94 HydrophobicContact CG1-CG2 4.23Å; V63-V94 HydrophobicContact CG2-CG1 4.48Å; V63-V94 HydrophobicContact CG2-CG2 4.25Å
64E96.8Very high94.2Very high46 Ų4652.4 Ų52.422%0.21529%0.288CS..EExtended strand (participates in β ladder)trans-117.9139.7-177.7-69.6171.3-163.600110.6T62 Q69 I70 K93T62-E64 HydrophobicContact CG2-CG 4.18Å; E64-Q69 WeakPolarHBondContact CA-O 3.45Å; E64-I70 HydrophobicContact CG-CG1 4.16Å; E64-K93 HydrophobicContact CB-CB 4.31Å; E64-K93 PolarHBondContact N-O 3.45Å; E64-K93 PolarHBondContact O-N 3.34Å; E64-K93 IonicContact OE1-NZ 3.95Å; E64-K93 WeakPolarHBondContact OE2-CD 3.39Å; E64-K93 IonicContact OE2-NZ 3.68Å; E64-K93 PolarHBondContact OE2-NZ 3.46Å
65S95.2Very high94.6Very high10 Ų1056.8 Ų56.87%0.0731%0.307CS..  trans-74.9165.717061.60000111.7S67 G68 Q69S65-S67 PolarHBondContact O-N 3.34Å; S65-S67 VanDerWaalsContact O-N 3.13Å; S65-G68 PolarHBondContact O-N 3.45Å; S65-Q69 PolarHBondContact N-O 3.01Å; S65-Q69 WeakPolarHBondContact OG-CA 3.45Å; S65-Q69 WeakPolarHBondContact OG-CB 3.36Å; S65-Q69 PolarHBondContact OG-N 3.05Å; S65-Q69 PolarHBondContact OG-O 2.93Å; S65-Q69 VanDerWaalsContact OG-O 3.05Å
66P95.5Very high95Very high52 Ų5261.3 Ų61.334%0.33831%0.31SS..THydrogen-bonded Turntrans-57.4-27.6174.8-23.132.4000113.8G68 T91 Y92P66-G68 VanDerWaalsContact C-N 3.26Å; P66-G68 PolarHBondContact O-N 3.07Å; P66-T91 WeakPolarHBondContact CA-O 3.36Å; P66-T91 WeakPolarHBondContact CG-O 3.45Å; P66-Y92 HydrophobicContact CG-CD2 4.08Å; P66-Y92 HydrophobicContact CG-CE2 3.97Å
67S94.1Very high95.2Very high87 Ų8759.3 Ų59.361%0.60830%0.299SS*.THydrogen-bonded Turntrans-79.7-1.5176.1-65.50000113.9S65 Q69 E88S65-S67 PolarHBondContact O-N 3.34Å; S65-S67 VanDerWaalsContact O-N 3.13Å; S67-Q69 VanDerWaalsContact C-N 3.33Å; S67-E88 WeakPolarHBondContact CB-OE2 3.47Å; S67-E88 PolarHBondContact OG-OE2 3.07Å
68G93.1Very high95.3Very high50 Ų5058.7 Ų58.752%0.51530%0.3SS..SBendtrans80.77.8-177.900000114.7S65 P66S65-G68 PolarHBondContact O-N 3.45Å; P66-G68 VanDerWaalsContact C-N 3.26Å; P66-G68 PolarHBondContact O-N 3.07Å
69Q95Very high95.2Very high129 Ų12961.7 Ų61.760%0.60331%0.313SS*.  trans-75.9130.3172.8-177.3-178.242.600110.2E64 S65 S67 L71E64-Q69 WeakPolarHBondContact CA-O 3.45Å; S65-Q69 PolarHBondContact N-O 3.01Å; S65-Q69 WeakPolarHBondContact OG-CA 3.45Å; S65-Q69 WeakPolarHBondContact OG-CB 3.36Å; S65-Q69 PolarHBondContact OG-N 3.05Å; S65-Q69 PolarHBondContact OG-O 2.93Å; S65-Q69 VanDerWaalsContact OG-O 3.05Å; S67-Q69 VanDerWaalsContact C-N 3.33Å; Q69-L71 PolarHBondContact O-N 2.7Å
70I95.9Very high95Very high91 Ų9162.6 Ų62.647%0.46732%0.322SS..EExtended strand (participates in β ladder)trans-71.9115.5172.4-60170.6000108.8T62 V63 E64 K73T62-I70 HydrophobicContact CG2-CD1 4.46Å; T62-I70 HydrophobicContact CG2-CG1 4.22Å; T62-I70 HydrophobicContact CG2-CG2 3.98Å; V63-I70 CarbonylContact O-C 3.56Å; V63-I70 WeakPolarHBondContact O-CA 3.3Å; E64-I70 HydrophobicContact CG-CG1 4.16Å; I70-K73 HydrophobicContact CG2-CB 4.02Å
71L94.8Very high94.7Very high29 Ų2963.4 Ų63.415%0.15233%0.33CS..EExtended strand (participates in β ladder)trans-89.2-35.4178.7-59.3178.5000111.8V63 Q69 F82 W84 Y92V63-L71 PolarHBondContact O-N 2.89Å; Q69-L71 PolarHBondContact O-N 2.7Å; L71-F82 HydrophobicContact CB-CZ 4.21Å; L71-W84 HydrophobicContact CD1-CD2 4.43Å; L71-W84 HydrophobicContact CD1-CG 4.46Å; L71-W84 HydrophobicContact CD2-CH2 4.27Å; L71-W84 HydrophobicContact CD2-CZ2 3.81Å; L71-Y92 HydrophobicContact CD1-CD1 4.02Å; L71-Y92 HydrophobicContact CD1-CE1 3.56Å
72Y94.1Very high94.5Very high50 Ų5064.3 Ų64.320%0.19633%0.334CS..EExtended strand (participates in β ladder)trans-146.4139.6-179-171.4-122.6000110.2L61 T62 V63 E74 F82L61-Y72 HydrophobicContact CD2-CD1 4.09Å; L61-Y72 HydrophobicContact CD2-CE1 4.04Å; T62-Y72 WeakPolarHBondContact CA-O 3.44Å; V63-Y72 HydrophobicContact CG2-CD1 4.24Å; V63-Y72 PolarHBondContact N-O 3.47Å; V63-Y72 PolarHBondContact O-N 2.84Å; Y72-E74 HydrophobicContact CD1-CG 4.42Å; Y72-E74 HydrophobicContact CE1-CB 4.49Å; Y72-E74 HydrophobicContact CE1-CG 3.52Å; Y72-E74 HydrophobicContact CE2-CG 3.94Å; Y72-E74 VanDerWaalsContact OH-CD 3.27Å; Y72-E74 WeakPolarHBondContact OH-CG 3.45Å; Y72-E74 PolarHBondContact OH-OE1 2.84Å; Y72-F82 HydrophobicContact CD1-CB 3.85Å; Y72-F82 HydrophobicContact CD1-CD1 4.38Å; Y72-F82 AromaticContact CD1-CD2 3.95Å; Y72-F82 HydrophobicContact CD1-CD2 3.95Å; Y72-F82 AromaticContact CD1-CG 3.8Å; Y72-F82 HydrophobicContact CD1-CG 3.8Å; Y72-F82 AromaticContact CD2-CD2 3.64Å; Y72-F82 HydrophobicContact CD2-CD2 3.64Å; Y72-F82 AromaticContact CD2-CE2 3.92Å; Y72-F82 HydrophobicContact CD2-CE2 3.92Å; Y72-F82 HydrophobicContact CD2-CG 4.34Å; Y72-F82 HydrophobicContact CE1-CB 3.94Å; Y72-F82 HydrophobicContact CE1-CD2 4.41Å; Y72-F82 HydrophobicContact CE1-CG 4.31Å; Y72-F82 HydrophobicContact CE2-CD2 4.19Å; Y72-F82 HydrophobicContact CG-CB 4.32Å; Y72-F82 HydrophobicContact CG-CD1 4.34Å; Y72-F82 AromaticContact CG-CD2 3.52Å; Y72-F82 HydrophobicContact CG-CD2 3.52Å; Y72-F82 AromaticContact CG-CE2 3.84Å; Y72-F82 HydrophobicContact CG-CE2 3.84Å; Y72-F82 AromaticContact CG-CG 3.8Å; Y72-F82 HydrophobicContact CG-CG 3.8Å; Y72-F82 HydrophobicContact CG-CZ 4.36Å
73K96.1Very high94.2Very high126 Ų12666.1 Ų66.155%0.54835%0.345SS..EExtended strand (participates in β ladder)trans-146.7126.6176.4-175.1172.7-177.21730109.8L61 I70L61-K73 CarbonylContact O-C 3.49Å; L61-K73 VanDerWaalsContact O-CA 3.3Å; L61-K73 WeakPolarHBondContact O-CA 3.43Å; I70-K73 HydrophobicContact CG2-CB 4.02Å
74E95.8Very high93.9Very high50 Ų5070.1 Ų70.123%0.23436%0.361CS..EExtended strand (participates in β ladder)trans-128148.2174.8-74.1-68.417300110.3D60 L61 Y72 K77D60-E74 WeakPolarHBondContact CA-O 3.47Å; L61-E74 HydrophobicContact CB-CB 4.42Å; L61-E74 PolarHBondContact N-O 3.07Å; L61-E74 PolarHBondContact O-N 2.8Å; Y72-E74 HydrophobicContact CD1-CG 4.42Å; Y72-E74 HydrophobicContact CE1-CB 4.49Å; Y72-E74 HydrophobicContact CE1-CG 3.52Å; Y72-E74 HydrophobicContact CE2-CG 3.94Å; Y72-E74 VanDerWaalsContact OH-CD 3.27Å; Y72-E74 WeakPolarHBondContact OH-CG 3.45Å; Y72-E74 PolarHBondContact OH-OE1 2.84Å; E74-K77 HydrophobicContact CB-CB 4.41Å; E74-K77 HydrophobicContact CB-CG 3.77Å; E74-K77 HydrophobicContact CG-CG 4.13Å; E74-K77 WeakPolarHBondContact OE2-CE 3.36Å; E74-K77 WeakPolarHBondContact OE2-CG 3.32Å
75I95.4Very high93.7Very high105 Ų10574 Ų7454%0.53838%0.377SS..EExtended strand (participates in β ladder)trans-123128.7-177.4-59.3173000107.8D60 K77D60-I75 VanDerWaalsContact OD1-CA 3.3Å; D60-I75 WeakPolarHBondContact OD1-CA 3.34Å; I75-K77 VanDerWaalsContact C-N 3.33Å; I75-K77 PolarHBondContact O-N 3.18Å
76R93.6Very high93.5Very high141 Ų14173.7 Ų73.753%0.53237%0.374SS..EExtended strand (participates in β ladder)trans47.950.3176.5-62.9-175.6-179-165.5-2.2113.7D58 V59 D60 F100D58-R76 HydrophobicContact CB-CB 3.97Å; V59-R76 PolarHBondContact O-N 3.13Å; D60-R76 PolarHBondContact OD1-N 2.87Å; R76-F100 HydrophobicContact CG-CE1 4.3Å; R76-F100 HydrophobicContact CG-CE2 4.35Å; R76-F100 HydrophobicContact CG-CZ 4.15Å
77K94.3Very high93.3Very high93 Ų9375.6 Ų75.640%0.40439%0.385SS..EExtended strand (participates in β ladder)trans-97.5141.3175.9-72.8-63.7-171.2172.30111F49 D58 V59 E74 I75F49-K77 HydrophobicContact CE2-CB 4.25Å; F49-K77 HydrophobicContact CZ-CB 3.94Å; D58-K77 CarbonylContact C-O 3.57Å; D58-K77 WeakPolarHBondContact CA-O 3.43Å; V59-K77 PolarHBondContact N-O 2.86Å; V59-K77 PolarHBondContact O-N 2.89Å; E74-K77 HydrophobicContact CB-CB 4.41Å; E74-K77 HydrophobicContact CB-CG 3.77Å; E74-K77 HydrophobicContact CG-CG 4.13Å; E74-K77 WeakPolarHBondContact OE2-CE 3.36Å; E74-K77 WeakPolarHBondContact OE2-CG 3.32Å; I75-K77 VanDerWaalsContact C-N 3.33Å; I75-K77 PolarHBondContact O-N 3.18Å
78Q93Very high93.2Very high98 Ų9875.5 Ų75.546%0.45838%0.375SS..SBendtrans-82.8-29.2177.4-54.4-174.1-24.800113.4V51 Q56 Y57V51-Q78 PolarHBondContact N-O 2.92Å; Q56-Q78 PolarHBondContact O-NE2 2.95Å; Y57-Q78 WeakPolarHBondContact O-CA 3.39Å; Y57-Q78 VanDerWaalsContact O-CB 3.23Å; Y57-Q78 WeakPolarHBondContact O-CB 3.1Å; Y57-Q78 VanDerWaalsContact O-CG 3.24Å; Y57-Q78 WeakPolarHBondContact O-CG 3.39Å
79F93.3Very high93.2Very high75 Ų7575.3 Ų75.333%0.32937%0.373SS..EExtended strand (participates in β ladder)trans-157.5164178.357.1-91.7000108.7F49 Q50 H125F49-F79 CarbonylContact O-C 3.6Å; F49-F79 WeakPolarHBondContact O-CA 3.49Å; F49-F79 WeakPolarHBondContact O-CB 3.45Å; Q50-F79 HydrophobicContact CB-CB 4.27Å; Q50-F79 HydrophobicContact CG-CB 4.24Å; F79-H125 AromaticContact CD1-CE1 3.83Å; F79-H125 AromaticContact CD1-NE2 3.76Å; F79-H125 HydrophobicContact CD2-CB 4.17Å; F79-H125 AromaticContact CD2-CG 3.92Å; F79-H125 AromaticContact CD2-ND1 3.76Å; F79-H125 HydrophobicContact CE1-CB 4.38Å; F79-H125 AromaticContact CE1-CD2 3.31Å; F79-H125 WeakPolarHBondContact CE1-CD2 3.48Å; F79-H125 AromaticContact CE1-CE1 3.92Å; F79-H125 AromaticContact CE1-CG 3.71Å; F79-H125 AromaticContact CE1-NE2 3.48Å; F79-H125 WeakPolarHBondContact CE1-NE2 3.24Å; F79-H125 HydrophobicContact CE2-CB 3.29Å; F79-H125 AromaticContact CE2-CD2 3.85Å; F79-H125 AromaticContact CE2-CG 3.34Å; F79-H125 AromaticContact CE2-ND1 3.69Å; F79-H125 HydrophobicContact CZ-CB 3.42Å; F79-H125 VanDerWaalsContact CZ-CB 3.42Å; F79-H125 AromaticContact CZ-CD2 3.22Å; F79-H125 WeakPolarHBondContact CZ-CD2 3.23Å; F79-H125 AromaticContact CZ-CG 3.22Å; F79-H125 AromaticContact CZ-ND1 3.85Å; F79-H125 AromaticContact CZ-NE2 3.86Å
80G90.9Very high93.2Very high18 Ų1869.6 Ų69.619%0.18635%0.349CS..EExtended strand (participates in β ladder)trans-175.1162.8173.900000112E48 F49E48-G80 WeakPolarHBondContact CA-O 3.45Å; F49-G80 WeakPolarHBondContact CD1-O 3.44Å; F49-G80 PolarHBondContact N-O 2.84Å; F49-G80 PolarHBondContact O-N 2.8Å
81S91.1Very high93.2Very high55 Ų5568.5 Ų68.539%0.38535%0.346SS..EExtended strand (participates in β ladder)trans-135.1129.1174.8178.20000108L47 E48L47-S81 CarbonylContact O-C 3.58Å; L47-S81 WeakPolarHBondContact O-CA 3.17Å; E48-S81 WeakPolarHBondContact OE1-CB 3.3Å; E48-S81 PolarHBondContact OE1-OG 2.86Å
82F91.2Very high93.3Very high19 Ų1967.2 Ų67.28%0.08334%0.339CS..EExtended strand (participates in β ladder)trans-125.3121.6-178.6175.8-114.4000109F45 V46 L47 V63 L71 Y72 W84F45-F82 HydrophobicContact CE2-CD1 4.14Å; F45-F82 HydrophobicContact CE2-CE1 4.09Å; F45-F82 HydrophobicContact CZ-CE1 4.11Å; V46-F82 WeakPolarHBondContact CA-O 3.21Å; L47-F82 PolarHBondContact N-O 2.89Å; L47-F82 PolarHBondContact O-N 2.83Å; V63-F82 HydrophobicContact CB-CE1 4.38Å; V63-F82 HydrophobicContact CG1-CE1 4.11Å; V63-F82 HydrophobicContact CG2-CD1 4.19Å; V63-F82 HydrophobicContact CG2-CE1 4.45Å; L71-F82 HydrophobicContact CB-CZ 4.21Å; Y72-F82 HydrophobicContact CD1-CB 3.85Å; Y72-F82 HydrophobicContact CD1-CD1 4.38Å; Y72-F82 AromaticContact CD1-CD2 3.95Å; Y72-F82 HydrophobicContact CD1-CD2 3.95Å; Y72-F82 AromaticContact CD1-CG 3.8Å; Y72-F82 HydrophobicContact CD1-CG 3.8Å; Y72-F82 AromaticContact CD2-CD2 3.64Å; Y72-F82 HydrophobicContact CD2-CD2 3.64Å; Y72-F82 AromaticContact CD2-CE2 3.92Å; Y72-F82 HydrophobicContact CD2-CE2 3.92Å; Y72-F82 HydrophobicContact CD2-CG 4.34Å; Y72-F82 HydrophobicContact CE1-CB 3.94Å; Y72-F82 HydrophobicContact CE1-CD2 4.41Å; Y72-F82 HydrophobicContact CE1-CG 4.31Å; Y72-F82 HydrophobicContact CE2-CD2 4.19Å; Y72-F82 HydrophobicContact CG-CB 4.32Å; Y72-F82 HydrophobicContact CG-CD1 4.34Å; Y72-F82 AromaticContact CG-CD2 3.52Å; Y72-F82 HydrophobicContact CG-CD2 3.52Å; Y72-F82 AromaticContact CG-CE2 3.84Å; Y72-F82 HydrophobicContact CG-CE2 3.84Å; Y72-F82 AromaticContact CG-CG 3.8Å; Y72-F82 HydrophobicContact CG-CG 3.8Å; Y72-F82 HydrophobicContact CG-CZ 4.36Å; F82-W84 HydrophobicContact CD1-CB 4.45Å; F82-W84 HydrophobicContact CE1-CB 3.63Å; F82-W84 HydrophobicContact CE1-CG 4.26Å; F82-W84 HydrophobicContact CE2-CE3 4.12Å; F82-W84 HydrophobicContact CZ-CB 3.69Å; F82-W84 AromaticContact CZ-CD2 4Å; F82-W84 HydrophobicContact CZ-CD2 4Å; F82-W84 AromaticContact CZ-CE3 3.64Å; F82-W84 HydrophobicContact CZ-CE3 3.64Å; F82-W84 HydrophobicContact CZ-CG 4.05Å
83T91.9Very high93.4Very high64 Ų6467.5 Ų67.539%0.39334%0.342SS..EExtended strand (participates in β ladder)trans-111.2130.5176.3-48.70000108.7F45 V46F45-T83 WeakPolarHBondContact O-CA 3.22Å; V46-T83 HydrophobicContact CG2-CG2 4.05Å
84W91.2Very high93.4Very high85 Ų8561.5 Ų61.532%0.32232%0.316SS..EExtended strand (participates in β ladder)trans-140.2144.1178.9-172.1-97.1000111.7F45 L71 F82F45-W84 HydrophobicContact CD1-CB 4.33Å; F45-W84 HydrophobicContact CE1-CB 3.76Å; F45-W84 AromaticContact CE1-CD1 3.65Å; F45-W84 HydrophobicContact CE1-CG 4.06Å; F45-W84 HydrophobicContact CE2-CB 4.12Å; F45-W84 HydrophobicContact CZ-CB 3.63Å; F45-W84 HydrophobicContact CZ-CG 4.14Å; F45-W84 PolarHBondContact N-O 2.81Å; F45-W84 PolarHBondContact O-N 3.11Å; L71-W84 HydrophobicContact CD1-CD2 4.43Å; L71-W84 HydrophobicContact CD1-CG 4.46Å; L71-W84 HydrophobicContact CD2-CH2 4.27Å; L71-W84 HydrophobicContact CD2-CZ2 3.81Å; F82-W84 HydrophobicContact CD1-CB 4.45Å; F82-W84 HydrophobicContact CE1-CB 3.63Å; F82-W84 HydrophobicContact CE1-CG 4.26Å; F82-W84 HydrophobicContact CE2-CE3 4.12Å; F82-W84 HydrophobicContact CZ-CB 3.69Å; F82-W84 AromaticContact CZ-CD2 4Å; F82-W84 HydrophobicContact CZ-CD2 4Å; F82-W84 AromaticContact CZ-CE3 3.64Å; F82-W84 HydrophobicContact CZ-CE3 3.64Å; F82-W84 HydrophobicContact CZ-CG 4.05Å
85K91.7Very high93.5Very high127 Ų12759.8 Ų59.855%0.55231%0.309SS*.EExtended strand (participates in β ladder)trans-97.6119173.7179.3152.9-161154.40109.7D44 V87D44-K85 WeakPolarHBondContact OD1-CA 3.26Å; D44-K85 WeakPolarHBondContact OD1-CB 3.48Å; D44-K85 VanDerWaalsContact OD1-CD 3.22Å; D44-K85 WeakPolarHBondContact OD1-CD 3.48Å; D44-K85 WeakPolarHBondContact OD1-CG 3.33Å; D44-K85 IonicContact OD1-NZ 3.97Å; K85-V87 PolarHBondContact O-N 3.22Å
86T92.1Very high93.5Very high3 Ų354.8 Ų54.82%0.01828%0.283CS..  trans-66.3118.9-176.961.10000111.7I39 E40 G42 V43 F45 Y92I39-T86 HydrophobicContact CB-CG2 4Å; I39-T86 HydrophobicContact CD1-CG2 4.43Å; I39-T86 HydrophobicContact CG2-CG2 3.41Å; I39-T86 VanDerWaalsContact CG2-CG2 3.41Å; E40-T86 PolarHBondContact O-OG1 2.91Å; G42-T86 WeakPolarHBondContact CA-O 3.39Å; G42-T86 PolarHBondContact N-O 2.91Å; G42-T86 PolarHBondContact N-OG1 2.98Å; V43-T86 PolarHBondContact N-OG1 2.88Å; V43-T86 WeakPolarHBondContact O-CB 3.28Å; V43-T86 WeakPolarHBondContact O-CG2 3.43Å; V43-T86 PolarHBondContact O-N 3.39Å; V43-T86 PolarHBondContact O-OG1 2.8Å; F45-T86 HydrophobicContact CD1-CG2 3.68Å; F45-T86 HydrophobicContact CE1-CG2 3.94Å; T86-Y92 HydrophobicContact CG2-CE2 3.73Å
87V91.6Very high93.7Very high92 Ų9248.7 Ų48.756%0.55826%0.262SS*.SBendtrans-90.7-35.8175.7-178.60000110.5K41 K85K41-V87 WeakPolarHBondContact CD-O 3.38Å; K41-V87 WeakPolarHBondContact CE-O 3Å; K41-V87 WeakPolarHBondContact CG-O 3.47Å; K85-V87 PolarHBondContact O-N 3.22Å
88E91.3Very high93.7Very high86 Ų8644.3 Ų44.340%0.40224%0.243SC..SBendtrans-117.5130.9-179.3-62.7179.5178.100108S67 Y92S67-E88 WeakPolarHBondContact CB-OE2 3.47Å; S67-E88 PolarHBondContact OG-OE2 3.07Å; E88-Y92 WeakPolarHBondContact O-CE2 3.01Å; E88-Y92 PolarHBondContact O-OH 2.92Å
89G93.4Very high93.8Very high46 Ų4645.1 Ų45.147%0.47425%0.247SC..  trans-81.4140.9172.800000110.2I39I39-G89 VanDerWaalsContact O-CA 3.3Å; I39-G89 WeakPolarHBondContact O-CA 3.21Å
90G95.2Very high93.7Very high9 Ų944 Ų449%0.09324%0.242CC..EExtended strand (participates in β ladder)trans153.7-167.217900000113.1E38 I39 Y92E38-G90 VanDerWaalsContact CD-C 3.46Å; E38-G90 VanDerWaalsContact OE1-CA 3.24Å; E38-G90 WeakPolarHBondContact OE1-CA 3.43Å; I39-G90 PolarHBondContact N-O 2.89Å; I39-G90 PolarHBondContact O-N 2.69Å; G90-Y92 WeakPolarHBondContact O-CD2 3.17Å; G90-Y92 PolarHBondContact O-N 2.76Å
91T95.8Very high93.5Very high67 Ų6743.7 Ų43.741%0.41124%0.237SC..EExtended strand (participates in β ladder)trans-80.5111178.4-41.20000111.6Y36 E37 E38 P66Y36-T91 HydrophobicContact CD1-CG2 4.15Å; E37-T91 CarbonylContact O-C 3.56Å; E37-T91 WeakPolarHBondContact O-CA 3.21Å; E38-T91 VanDerWaalsContact OE2-CA 3.3Å; E38-T91 WeakPolarHBondContact OE2-CA 3.37Å; E38-T91 WeakPolarHBondContact OE2-CB 3.38Å; E38-T91 PolarHBondContact OE2-N 2.97Å; E38-T91 VanDerWaalsContact OE2-N 3.07Å; E38-T91 PolarHBondContact OE2-OG1 2.74Å; P66-T91 WeakPolarHBondContact CA-O 3.36Å; P66-T91 WeakPolarHBondContact CG-O 3.45Å
92Y95.7Very high93.1Very high3 Ų347.3 Ų47.31%0.01226%0.257CS..EExtended strand (participates in β ladder)trans-84.3151.9169.5-76.6-101.4000110Y36 E37 I39 F45 P66 L71 T86 E88 G90Y36-Y92 VanDerWaalsContact CA-O 3.28Å; Y36-Y92 WeakPolarHBondContact CA-O 3.3Å; E37-Y92 PolarHBondContact N-O 3.49Å; E37-Y92 PolarHBondContact O-N 2.93Å; I39-Y92 HydrophobicContact CB-CD2 3.94Å; I39-Y92 HydrophobicContact CB-CE2 4.11Å; I39-Y92 HydrophobicContact CD1-CD2 3.87Å; I39-Y92 HydrophobicContact CD1-CE2 4.49Å; I39-Y92 HydrophobicContact CD1-CG 4.1Å; I39-Y92 HydrophobicContact CG1-CD2 4.02Å; F45-Y92 AromaticContact CE1-CD1 3.93Å; F45-Y92 HydrophobicContact CE1-CD1 3.93Å; F45-Y92 AromaticContact CE1-CE1 3.84Å; F45-Y92 HydrophobicContact CE1-CE1 3.84Å; F45-Y92 HydrophobicContact CE1-CG 4.46Å; F45-Y92 HydrophobicContact CZ-CD1 4.1Å; F45-Y92 HydrophobicContact CZ-CE1 4.31Å; P66-Y92 HydrophobicContact CG-CD2 4.08Å; P66-Y92 HydrophobicContact CG-CE2 3.97Å; L71-Y92 HydrophobicContact CD1-CD1 4.02Å; L71-Y92 HydrophobicContact CD1-CE1 3.56Å; T86-Y92 HydrophobicContact CG2-CE2 3.73Å; E88-Y92 WeakPolarHBondContact O-CE2 3.01Å; E88-Y92 PolarHBondContact O-OH 2.92Å; G90-Y92 WeakPolarHBondContact O-CD2 3.17Å; G90-Y92 PolarHBondContact O-N 2.76Å
93K96Very high92.8Very high56 Ų5655.3 Ų55.324%0.24329%0.292CS..EExtended strand (participates in β ladder)trans-131.4130.7-176.2173.3-171.9165.6-153.80110.6Y35 Y36 V63 E64 C95Y35-K93 WeakPolarHBondContact O-CA 3.49Å; Y36-K93 HydrophobicContact CD1-CB 3.87Å; Y36-K93 HydrophobicContact CD1-CD 4.43Å; Y36-K93 HydrophobicContact CD1-CG 3.97Å; Y36-K93 HydrophobicContact CE1-CB 3.89Å; Y36-K93 HydrophobicContact CE1-CD 3.61Å; Y36-K93 HydrophobicContact CE1-CG 3.54Å; V63-K93 CarbonylContact C-O 3.59Å; V63-K93 WeakPolarHBondContact CA-O 3.45Å; E64-K93 HydrophobicContact CB-CB 4.31Å; E64-K93 PolarHBondContact N-O 3.45Å; E64-K93 PolarHBondContact O-N 3.34Å; E64-K93 IonicContact OE1-NZ 3.95Å; E64-K93 WeakPolarHBondContact OE2-CD 3.39Å; E64-K93 IonicContact OE2-NZ 3.68Å; E64-K93 PolarHBondContact OE2-NZ 3.46Å; K93-C95 WeakPolarHBondContact CE-SG 3.37Å
94V96.6Very high92.7Very high0 Ų054 Ų540%029%0.285CS..EExtended strand (participates in β ladder)trans-122.1122178.1179.80000108.5C34 Y35 L47 L61 T62 V63 F96 W112C34-V94 CarbonylContact C-O 3.6Å; C34-V94 WeakPolarHBondContact CA-O 3.31Å; Y35-V94 PolarHBondContact N-O 2.97Å; Y35-V94 PolarHBondContact O-N 2.92Å; L47-V94 HydrophobicContact CD1-CG1 4.24Å; L47-V94 HydrophobicContact CD1-CG2 4.46Å; L47-V94 HydrophobicContact CD2-CB 4.42Å; L47-V94 HydrophobicContact CD2-CG1 3.57Å; L47-V94 HydrophobicContact CD2-CG2 3.88Å; L61-V94 HydrophobicContact CD1-CG1 3.52Å; T62-V94 CarbonylContact O-C 3.58Å; T62-V94 WeakPolarHBondContact O-CA 3.45Å; V63-V94 HydrophobicContact CG1-CG2 4.23Å; V63-V94 HydrophobicContact CG2-CG1 4.48Å; V63-V94 HydrophobicContact CG2-CG2 4.25Å; V94-F96 HydrophobicContact CG1-CD2 4.31Å; V94-F96 HydrophobicContact CG1-CE2 3.6Å; V94-F96 HydrophobicContact CG1-CZ 4.05Å; V94-W112 HydrophobicContact CB-CH2 4.46Å; V94-W112 HydrophobicContact CB-CZ3 4.08Å; V94-W112 HydrophobicContact CG2-CD2 4.39Å; V94-W112 HydrophobicContact CG2-CE3 3.98Å; V94-W112 HydrophobicContact CG2-CH2 3.57Å; V94-W112 HydrophobicContact CG2-CZ2 3.99Å; V94-W112 HydrophobicContact CG2-CZ3 3.56Å
95C97.3Very high92.8Very high14 Ų1454.2 Ų54.210%0.09529%0.29CS..EExtended strand (participates in β ladder)trans-119.1133.5179.2-65.80000112V32 Q33 C34 L61 T62 K93V32-C95 HydrophobicContact CG1-CB 4.1Å; Q33-C95 CarbonylContact O-C 3.53Å; Q33-C95 WeakPolarHBondContact O-CA 3.07Å; C34-C95 HydrophobicContact CB-CB 4.17Å; C34-C95 WeakPolarHBondContact CB-SG 3.39Å; C34-C95 WeakPolarHBondContact SG-CB 3.38Å; C34-C95 CovalentContact SG-SG 2.04Å; C34-C95 PolarHBondContact SG-SG 2.81Å; L61-C95 WeakPolarHBondContact CA-O 3.17Å; T62-C95 PolarHBondContact N-O 2.74Å; T62-C95 PolarHBondContact O-N 3.31Å; K93-C95 WeakPolarHBondContact CE-SG 3.37Å
96F97.1Very high92.9Very high0 Ų048.2 Ų48.20%026%0.264CS..EExtended strand (participates in β ladder)trans-107.4120.6171.5-63.2-94.7000109F25 L27 V32 Q33 Y35 F49 V59 D60 L61 V94 V108 M110F25-F96 HydrophobicContact CE1-CD2 4.3Å; F25-F96 HydrophobicContact CE1-CE2 4.36Å; F25-F96 HydrophobicContact CE2-CB 4.47Å; F25-F96 HydrophobicContact CZ-CB 4.09Å; F25-F96 HydrophobicContact CZ-CD1 4.35Å; F25-F96 AromaticContact CZ-CD2 3.67Å; F25-F96 HydrophobicContact CZ-CD2 3.67Å; F25-F96 HydrophobicContact CZ-CE2 4.16Å; F25-F96 AromaticContact CZ-CG 3.78Å; F25-F96 HydrophobicContact CZ-CG 3.78Å; L27-F96 HydrophobicContact CD2-CB 3.91Å; V32-F96 CarbonylContact C-O 3.59Å; V32-F96 VanDerWaalsContact CA-O 3.32Å; V32-F96 WeakPolarHBondContact CA-O 3.37Å; V32-F96 WeakPolarHBondContact CG1-O 3.43Å; Q33-F96 PolarHBondContact N-O 2.8Å; Q33-F96 PolarHBondContact O-N 3.09Å; Y35-F96 HydrophobicContact CD2-CD2 4.32Å; Y35-F96 HydrophobicContact CD2-CE2 4.32Å; Y35-F96 HydrophobicContact CE2-CD2 4.43Å; F49-F96 HydrophobicContact CB-CE1 3.65Å; F49-F96 HydrophobicContact CB-CZ 4.01Å; F49-F96 HydrophobicContact CD2-CE1 4.09Å; F49-F96 AromaticContact CG-CE1 3.88Å; F49-F96 HydrophobicContact CG-CE1 3.88Å; V59-F96 HydrophobicContact CG1-CD1 4.2Å; V59-F96 HydrophobicContact CG2-CB 4.02Å; V59-F96 HydrophobicContact CG2-CD1 4.14Å; D60-F96 CarbonylContact O-C 3.34Å; D60-F96 WeakPolarHBondContact O-CA 3.46Å; L61-F96 HydrophobicContact CD1-CD1 3.85Å; L61-F96 HydrophobicContact CD1-CD2 4.3Å; L61-F96 HydrophobicContact CD1-CE1 3.54Å; L61-F96 HydrophobicContact CD1-CE2 4.01Å; L61-F96 HydrophobicContact CD1-CG 4.22Å; L61-F96 HydrophobicContact CD1-CZ 3.63Å; V94-F96 HydrophobicContact CG1-CD2 4.31Å; V94-F96 HydrophobicContact CG1-CE2 3.6Å; V94-F96 HydrophobicContact CG1-CZ 4.05Å; F96-V108 HydrophobicContact CD1-CG1 4.02Å; F96-V108 HydrophobicContact CE1-CG1 3.96Å; F96-M110 HydrophobicContact CE2-CG 4.23Å; F96-M110 HydrophobicContact CE2-SD 3.47Å; F96-M110 WeakPolarHBondContact CE2-SD 3.1Å; F96-M110 HydrophobicContact CZ-CB 4.2Å; F96-M110 HydrophobicContact CZ-CG 3.97Å; F96-M110 HydrophobicContact CZ-SD 3.81Å
97S96.6Very high93Very high13 Ų1351 Ų519%0.09128%0.277CS..EExtended strand (participates in β ladder)trans-110.3131.7177.4174.90000111.4V59 D60 E99V59-S97 WeakPolarHBondContact CG2-O 3.45Å; D60-S97 PolarHBondContact N-O 2.92Å; D60-S97 VanDerWaalsContact N-O 3.12Å; D60-S97 PolarHBondContact O-N 3.12Å; S97-E99 WeakPolarHBondContact OG-CB 3.33Å; S97-E99 WeakPolarHBondContact OG-CG 3.05Å; S97-E99 PolarHBondContact OG-N 2.89Å; S97-E99 PolarHBondContact OG-OE2 3.16Å; S97-E99 VanDerWaalsContact OG-OE2 3.11Å
98N95.2Very high93.2Very high0 Ų046.6 Ų46.60%025%0.25CS..  trans-117.827.9169.6-169.633.4000110.7L27 P28 N30 Q31 F100 S101 S104 K106L27-N98 HydrophobicContact CD1-CB 4.5Å; L27-N98 HydrophobicContact CD2-CB 3.63Å; L27-N98 HydrophobicContact CG-CB 3.65Å; L27-N98 PolarHBondContact O-ND2 2.91Å; P28-N98 WeakPolarHBondContact O-CB 3.46Å; P28-N98 PolarHBondContact O-ND2 2.6Å; N30-N98 PolarHBondContact N-O 2.74Å; Q31-N98 PolarHBondContact O-N 3.41Å; N98-F100 PolarHBondContact O-N 3.44Å; N98-F100 VanDerWaalsContact O-N 3.16Å; N98-S101 PolarHBondContact O-N 3.2Å; N98-S101 VanDerWaalsContact O-N 3.15Å; N98-S101 WeakPolarHBondContact OD1-CB 3.29Å; N98-S101 PolarHBondContact OD1-OG 3Å; N98-S104 PolarHBondContact ND2-O 3.14Å; N98-S104 VanDerWaalsContact ND2-O 3.14Å; N98-K106 WeakPolarHBondContact OD1-CD 3.2Å; N98-K106 VanDerWaalsContact OD1-CE 3.31Å; N98-K106 WeakPolarHBondContact OD1-CE 3.26Å; N98-K106 PolarHBondContact OD1-NZ 3.49Å
99E93.9Very high93.4Very high115 Ų11545.3 Ų45.354%0.53724%0.242SC..THydrogen-bonded Turntrans-61.6-23.6-177.8-74.5176.8127.100113.6N30 V32 S97N30-E99 PolarHBondContact OD1-O 3.15Å; V32-E99 VanDerWaalsContact CG2-CD 3.46Å; V32-E99 HydrophobicContact CG2-CG 3.71Å; S97-E99 WeakPolarHBondContact OG-CB 3.33Å; S97-E99 WeakPolarHBondContact OG-CG 3.05Å; S97-E99 PolarHBondContact OG-N 2.89Å; S97-E99 PolarHBondContact OG-OE2 3.16Å; S97-E99 VanDerWaalsContact OG-OE2 3.11Å
100F91.7Very high93.4Very high53 Ų5343.6 Ų43.623%0.23222%0.222CC..THydrogen-bonded Turntrans-82.6-13-179.761.2-95.5000114.1D58 D60 R76 N98D58-F100 HydrophobicContact CB-CZ 4.35Å; D58-F100 VanDerWaalsContact CG-CE2 3.45Å; D58-F100 VanDerWaalsContact OD1-CE2 3.26Å; D58-F100 WeakPolarHBondContact OD1-CE2 3.23Å; D58-F100 WeakPolarHBondContact OD2-CE2 3.18Å; D60-F100 HydrophobicContact CB-CE1 4.5Å; R76-F100 HydrophobicContact CG-CE1 4.3Å; R76-F100 HydrophobicContact CG-CE2 4.35Å; R76-F100 HydrophobicContact CG-CZ 4.15Å; N98-F100 PolarHBondContact O-N 3.44Å; N98-F100 VanDerWaalsContact O-N 3.16Å
101S86.8Confident93.2Very high11 Ų1143.4 Ų43.48%0.07722%0.219CC..  trans-91.7125.6175.5-56.90000109.6D29 N30 N98 K106D29-S101 WeakPolarHBondContact CB-O 3.15Å; N30-S101 PolarHBondContact N-O 3.08Å; N98-S101 PolarHBondContact O-N 3.2Å; N98-S101 VanDerWaalsContact O-N 3.15Å; N98-S101 WeakPolarHBondContact OD1-CB 3.29Å; N98-S101 PolarHBondContact OD1-OG 3Å; S101-K106 PolarHBondContact OG-NZ 3.21Å; S101-K106 VanDerWaalsContact OG-NZ 3.12Å
102T83.1Confident93Very high130 Ų13041.2 Ų41.280%0.79820%0.203SC*.SBendtrans-92.9-6.3-178.823.70000114.8
103F84.1Confident92.7Very high188 Ų18843.6 Ų43.683%0.82521%0.214SC*.SBendtrans-150.2-30.7-172.5-172-106.2000114.5
104S90Very high92.4Very high36 Ų3643.8 Ų43.825%0.25222%0.22SC..  trans-99.2116.4-174.957.50000112.2N98N98-S104 PolarHBondContact ND2-O 3.14Å; N98-S104 VanDerWaalsContact ND2-O 3.14Å
105H93.2Very high91.9Very high89 Ų8944.9 Ų44.941%0.41223%0.231SC..  trans-65.6155.9161.5-48.4-48000110.6E26 P28 D29 G54E26-H105 IonicContact OE1-CD2 3.08Å; P28-H105 WeakPolarHBondContact CA-ND1 3.32Å; D29-H105 PolarHBondContact N-ND1 3.09Å; D29-H105 IonicContact OD1-CE1 2.88Å; D29-H105 PolarHBondContact OD1-CE1 3.18Å; D29-H105 IonicContact OD1-ND1 2.84Å; D29-H105 PolarHBondContact OD1-ND1 2.88Å; D29-H105 VanDerWaalsContact OD1-ND1 3.08Å; G54-H105 WeakPolarHBondContact CA-O 3.09Å
106K94.6Very high90.7Very high1 Ų153.8 Ų53.80%0.00427%0.272CS..EExtended strand (participates in β ladder)trans-126.7143.6-179-70174.6179161.60110.8L27 V51 T53 D58 N98 S101 V108L27-K106 PolarHBondContact N-O 2.88Å; L27-K106 PolarHBondContact O-N 3.49Å; V51-K106 HydrophobicContact CG1-CB 4.19Å; V51-K106 HydrophobicContact CG1-CD 4.35Å; V51-K106 HydrophobicContact CG1-CG 4.35Å; T53-K106 CarbonylContact O-C 3.6Å; T53-K106 VanDerWaalsContact O-CA 3.25Å; T53-K106 WeakPolarHBondContact O-CA 3.25Å; D58-K106 WeakPolarHBondContact O-CD 3.36Å; D58-K106 WeakPolarHBondContact O-CE 3.38Å; D58-K106 PolarHBondContact O-NZ 3.49Å; D58-K106 IonicContact OD1-NZ 2.69Å; D58-K106 PolarHBondContact OD1-NZ 3.36Å; N98-K106 WeakPolarHBondContact OD1-CD 3.2Å; N98-K106 VanDerWaalsContact OD1-CE 3.31Å; N98-K106 WeakPolarHBondContact OD1-CE 3.26Å; N98-K106 PolarHBondContact OD1-NZ 3.49Å; S101-K106 PolarHBondContact OG-NZ 3.21Å; S101-K106 VanDerWaalsContact OG-NZ 3.12Å; K106-V108 HydrophobicContact CB-CG2 4.46Å
107M94.7Very high89Confident61 Ų6155.6 Ų55.630%0.328%0.283SS..EExtended strand (participates in β ladder)trans-99.8122.9166.3-63.3-68.1-72.800108.2T24 F25 E26 I52 T53T24-M107 HydrophobicContact CG2-CE 4Å; F25-M107 WeakPolarHBondContact O-CA 3.3Å; E26-M107 HydrophobicContact CB-SD 3.55Å; E26-M107 VanDerWaalsContact CB-SD 3.55Å; E26-M107 HydrophobicContact CG-SD 3.78Å; I52-M107 HydrophobicContact CB-CB 4.28Å; I52-M107 PolarHBondContact N-O 3.2Å; T53-M107 HydrophobicContact CG2-CB 3.65Å; T53-M107 HydrophobicContact CG2-CG 3.43Å; T53-M107 VanDerWaalsContact CG2-CG 3.43Å; T53-M107 PolarHBondContact O-N 3.16Å
108V95.5Very high87.1Confident0 Ų060 Ų600%031%0.311CS..EExtended strand (participates in β ladder)trans-115.7127.3-178.2-175.70000108.6T24 F25 L27 V51 F96 K106T24-V108 WeakPolarHBondContact CA-O 3.39Å; F25-V108 HydrophobicContact CD1-CB 4.42Å; F25-V108 WeakPolarHBondContact CD1-O 3.46Å; F25-V108 HydrophobicContact CE1-CB 3.84Å; F25-V108 HydrophobicContact CE1-CG1 3.94Å; F25-V108 HydrophobicContact CE2-CB 4.11Å; F25-V108 HydrophobicContact CE2-CG2 4.46Å; F25-V108 HydrophobicContact CZ-CB 3.66Å; F25-V108 HydrophobicContact CZ-CG1 3.89Å; F25-V108 HydrophobicContact CZ-CG2 4.32Å; F25-V108 PolarHBondContact N-O 2.67Å; F25-V108 PolarHBondContact O-N 3.26Å; L27-V108 HydrophobicContact CB-CG2 4.33Å; L27-V108 HydrophobicContact CD2-CG2 4.34Å; V51-V108 HydrophobicContact CG2-CG2 4.36Å; F96-V108 HydrophobicContact CD1-CG1 4.02Å; F96-V108 HydrophobicContact CE1-CG1 3.96Å; K106-V108 HydrophobicContact CB-CG2 4.46Å
109Y94.6Very high85.1Confident60 Ų6064.6 Ų64.624%0.23535%0.349CS..EExtended strand (participates in β ladder)trans-85.8132.7164179-99.9000108.7E22 F49 Q50 D111E22-Y109 HydrophobicContact CB-CE2 4.07Å; E22-Y109 WeakPolarHBondContact CG-OH 3.36Å; E22-Y109 PolarHBondContact OE1-OH 3.03Å; F49-Y109 CarbonylContact C-O 3.5Å; F49-Y109 WeakPolarHBondContact CA-O 3.42Å; Q50-Y109 PolarHBondContact N-O 3.15Å; Q50-Y109 WeakPolarHBondContact O-CB 3.36Å; Q50-Y109 PolarHBondContact O-N 3.04Å; Y109-D111 HydrophobicContact CE1-CB 3.98Å
110M93.2Very high83.2Confident10 Ų1065.8 Ų65.85%0.04936%0.358CS..EExtended strand (participates in β ladder)trans-132.4137172.4179.3-174.673.400109.1L23 F25 Y35 L47 E48 F96L23-M110 HydrophobicContact CD2-CE 4.46Å; L23-M110 PolarHBondContact N-O 2.87Å; L23-M110 PolarHBondContact O-N 3.33Å; F25-M110 HydrophobicContact CE1-CB 4.14Å; Y35-M110 HydrophobicContact CD1-CE 4.29Å; Y35-M110 HydrophobicContact CD2-CE 3.86Å; Y35-M110 HydrophobicContact CD2-SD 4.01Å; Y35-M110 HydrophobicContact CE2-CE 4.36Å; Y35-M110 HydrophobicContact CG-CE 3.83Å; Y35-M110 HydrophobicContact CG-SD 4.43Å; L47-M110 HydrophobicContact CD1-CG 3.74Å; L47-M110 HydrophobicContact CD1-SD 3.94Å; E48-M110 CarbonylContact O-C 3.5Å; E48-M110 WeakPolarHBondContact O-CA 3.47Å; F96-M110 HydrophobicContact CE2-CG 4.23Å; F96-M110 HydrophobicContact CE2-SD 3.47Å; F96-M110 WeakPolarHBondContact CE2-SD 3.1Å; F96-M110 HydrophobicContact CZ-CB 4.2Å; F96-M110 HydrophobicContact CZ-CG 3.97Å; F96-M110 HydrophobicContact CZ-SD 3.81Å
111D92Very high81.4Confident4 Ų468 Ų682%0.02138%0.378CS..EExtended strand (participates in β ladder)trans-125.7122.2168.6175.237.1000108.5V21 E22 L47 E48 Y109 Q113V21-D111 WeakPolarHBondContact CG2-OD1 3.48Å; E22-D111 HydrophobicContact CG-CB 4.26Å; L47-D111 WeakPolarHBondContact CA-O 3.4Å; E48-D111 HydrophobicContact CB-CB 4.45Å; E48-D111 PolarHBondContact N-O 2.84Å; E48-D111 PolarHBondContact O-N 2.83Å; Y109-D111 HydrophobicContact CE1-CB 3.98Å; D111-Q113 WeakPolarHBondContact OD1-CG 3.39Å; D111-Q113 PolarHBondContact OD2-NE2 2.69Å
112W92Very high79.7Confident21 Ų2176.1 Ų76.18%0.0841%0.412CS..EExtended strand (participates in β ladder)trans-123.398.3-179.7-169.3-6.6000109.6V21 E37 I39 F45 L47 V94V21-W112 PolarHBondContact O-N 3.31Å; E37-W112 HydrophobicContact CB-CD2 4.12Å; E37-W112 HydrophobicContact CB-CE3 4.01Å; E37-W112 HydrophobicContact CB-CH2 3.38Å; E37-W112 HydrophobicContact CB-CZ2 3.5Å; E37-W112 VanDerWaalsContact CB-CZ2 3.5Å; E37-W112 HydrophobicContact CB-CZ3 3.65Å; E37-W112 HydrophobicContact CG-CZ2 4.4Å; I39-W112 HydrophobicContact CD1-CZ2 4Å; F45-W112 AromaticContact CD2-NE1 3.55Å; F45-W112 AromaticContact CG-NE1 3.92Å; L47-W112 HydrophobicContact CD1-CB 4.14Å; L47-W112 HydrophobicContact CD1-CG 4.26Å; V94-W112 HydrophobicContact CB-CH2 4.46Å; V94-W112 HydrophobicContact CB-CZ3 4.08Å; V94-W112 HydrophobicContact CG2-CD2 4.39Å; V94-W112 HydrophobicContact CG2-CE3 3.98Å; V94-W112 HydrophobicContact CG2-CH2 3.57Å; V94-W112 HydrophobicContact CG2-CZ2 3.99Å; V94-W112 HydrophobicContact CG2-CZ3 3.56Å
113Q89.5Confident78.3Confident53 Ų5372.9 Ų72.925%0.24839%0.392CS..EExtended strand (participates in β ladder)trans-98.9128.5-179.2-57.4-174.33800110.8V21 F45 V46 D111 V117V21-Q113 HydrophobicContact CB-CG 4.49Å; V21-Q113 HydrophobicContact CG2-CG 4.21Å; F45-Q113 CarbonylContact C-O 3.58Å; F45-Q113 WeakPolarHBondContact CA-O 3.3Å; F45-Q113 VanDerWaalsContact CB-O 3.3Å; F45-Q113 WeakPolarHBondContact CB-O 3.09Å; V46-Q113 PolarHBondContact N-O 2.79Å; V46-Q113 PolarHBondContact O-N 3.44Å; D111-Q113 WeakPolarHBondContact OD1-CG 3.39Å; D111-Q113 PolarHBondContact OD2-NE2 2.69Å; Q113-V117 HydrophobicContact CB-CG2 3.63Å
114V89.5Confident77Confident60 Ų6068.7 Ų68.736%0.36438%0.378SS..EExtended strand (participates in β ladder)trans-117.4122.4177.3179.80000108.4E37 I39 V43 F45E37-V114 HydrophobicContact CG-CG2 3.97Å; I39-V114 HydrophobicContact CB-CG1 4.38Å; I39-V114 HydrophobicContact CD1-CG1 4.45Å; I39-V114 HydrophobicContact CD1-CG2 3.83Å; I39-V114 HydrophobicContact CG1-CG1 4.1Å; I39-V114 HydrophobicContact CG1-CG2 3.96Å; I39-V114 HydrophobicContact CG2-CG1 3.61Å; V43-V114 HydrophobicContact CG1-CG1 3.81Å; F45-V114 HydrophobicContact CB-CG2 4.13Å
115G84.9Confident75.2Confident23 Ų2369.4 Ų69.424%0.23738%0.377CS..SBendtrans124.3-157.4179.300000114.3D44 V117D44-G115 PolarHBondContact O-N 2.62Å; G115-V117 VanDerWaalsContact C-N 3.26Å; G115-V117 PolarHBondContact O-N 3.29Å
116E73.2Confident73.6Confident201 Ų20172.8 Ų72.894%0.93939%0.393SS*.  trans-74.782.4177.1-171.3146-131.400110
117V61.1Low71.9Confident39 Ų3978.5 Ų78.524%0.23642%0.418CS..  trans-71.3122.5170.3-1770000107.1V46 Q113 G115 A119V46-V117 HydrophobicContact CB-CG2 4.4Å; V46-V117 HydrophobicContact CG2-CB 4.19Å; V46-V117 HydrophobicContact CG2-CG1 4.24Å; V46-V117 HydrophobicContact CG2-CG2 3.94Å; Q113-V117 HydrophobicContact CB-CG2 3.63Å; G115-V117 VanDerWaalsContact C-N 3.26Å; G115-V117 PolarHBondContact O-N 3.29Å; V117-A119 PolarHBondContact O-N 2.97Å
118P57.5Low70.2Confident104 Ų10480.2 Ų80.268%0.67543%0.427SS*.  trans-58.2113.6166.1-8.119.9000105.7L120P118-L120 VanDerWaalsContact C-N 3.29Å; P118-L120 PolarHBondContact O-N 3.12Å
119A52.2Low68.6Low97 Ų9786.3 Ų86.380%0.80246%0.457SS*.  trans-56.597.1-179.800000108.6V117V117-A119 PolarHBondContact O-N 2.97Å
120L54.5Low67.8Low141 Ų14186.1 Ų86.174%0.73846%0.464SS*.  trans-61.8130.9162.5-70-179.2000104.8P118 K122P118-L120 VanDerWaalsContact C-N 3.29Å; P118-L120 PolarHBondContact O-N 3.12Å; L120-K122 PolarHBondContact O-N 3.21Å; L120-K122 VanDerWaalsContact O-N 3.16Å
121P52.9Low67.1Low99 Ų9989.4 Ų89.464%0.64348%0.481SS*.  trans-52.6132.2177.219.7-28.9000107.1V123P121-V123 HydrophobicContact CG-CG2 4.28Å; P121-V123 WeakPolarHBondContact O-CG2 3.47Å; P121-V123 PolarHBondContact O-N 2.72Å
122K51.1Low66.5Low181 Ų18195.6 Ų95.679%0.78751%0.512SS*.  trans-58.288.9171.4-68.5-176.5177.2-174.50107.6L120 D124L120-K122 PolarHBondContact O-N 3.21Å; L120-K122 VanDerWaalsContact O-N 3.16Å; K122-D124 PolarHBondContact O-N 3.43Å
123V53.9Low66.1Low62 Ų62101.8 Ų101.838%0.37654%0.542SS..  trans-79.2108176.3-179.80000104.8P121 H125 K127P121-V123 HydrophobicContact CG-CG2 4.28Å; P121-V123 WeakPolarHBondContact O-CG2 3.47Å; P121-V123 PolarHBondContact O-N 2.72Å; V123-H125 PolarHBondContact O-N 2.91Å; V123-K127 HydrophobicContact CG1-CB 3.44Å; V123-K127 VanDerWaalsContact CG1-CB 3.44Å
124D56.7Low65.9Low100 Ų100103.2 Ų103.254%0.53555%0.553SS.*  trans-43.9135.7168.8-178.2-2.8000110K122 Q126 K127 M128K122-D124 PolarHBondContact O-N 3.43Å; D124-Q126 PolarHBondContact O-N 2.93Å; D124-K127 HydrophobicContact CB-CB 4.39Å; D124-K127 HydrophobicContact CB-CD 4.01Å; D124-K127 HydrophobicContact CB-CG 4.07Å; D124-K127 CarbonylContact O-C 3.55Å; D124-K127 WeakPolarHBondContact O-CA 3.31Å; D124-K127 WeakPolarHBondContact O-CB 3.22Å; D124-K127 PolarHBondContact O-N 2.87Å; D124-M128 PolarHBondContact O-N 3.01Å
125H52.4Low65.8Low52 Ų52103.2 Ų103.224%0.24155%0.553CS.*Hα-helixtrans-66.2-26-170.1-166.882.8000113.3F79 V123 K127 M128 M129F79-H125 AromaticContact CD1-CE1 3.83Å; F79-H125 AromaticContact CD1-NE2 3.76Å; F79-H125 HydrophobicContact CD2-CB 4.17Å; F79-H125 AromaticContact CD2-CG 3.92Å; F79-H125 AromaticContact CD2-ND1 3.76Å; F79-H125 HydrophobicContact CE1-CB 4.38Å; F79-H125 AromaticContact CE1-CD2 3.31Å; F79-H125 WeakPolarHBondContact CE1-CD2 3.48Å; F79-H125 AromaticContact CE1-CE1 3.92Å; F79-H125 AromaticContact CE1-CG 3.71Å; F79-H125 AromaticContact CE1-NE2 3.48Å; F79-H125 WeakPolarHBondContact CE1-NE2 3.24Å; F79-H125 HydrophobicContact CE2-CB 3.29Å; F79-H125 AromaticContact CE2-CD2 3.85Å; F79-H125 AromaticContact CE2-CG 3.34Å; F79-H125 AromaticContact CE2-ND1 3.69Å; F79-H125 HydrophobicContact CZ-CB 3.42Å; F79-H125 VanDerWaalsContact CZ-CB 3.42Å; F79-H125 AromaticContact CZ-CD2 3.22Å; F79-H125 WeakPolarHBondContact CZ-CD2 3.23Å; F79-H125 AromaticContact CZ-CG 3.22Å; F79-H125 AromaticContact CZ-ND1 3.85Å; F79-H125 AromaticContact CZ-NE2 3.86Å; V123-H125 PolarHBondContact O-N 2.91Å; H125-K127 PolarHBondContact O-N 2.76Å; H125-M128 WeakPolarHBondContact O-CA 3.24Å; H125-M128 WeakPolarHBondContact O-CB 3.34Å; H125-M128 PolarHBondContact O-N 3.38Å; H125-M129 PolarHBondContact O-N 2.99Å
126Q58.6Low66.1Low160 Ų160104.7 Ų104.775%0.74856%0.564SS**Hα-helixtrans-62.4-35.2167.6-165.2142.4-3200110.7D124 S130D124-Q126 PolarHBondContact O-N 2.93Å; Q126-S130 WeakPolarHBondContact O-CB 3.38Å; Q126-S130 PolarHBondContact O-N 3.39Å; Q126-S130 VanDerWaalsContact O-N 3.15Å; Q126-S130 PolarHBondContact O-OG 2.72Å
127K58.9Low66.9Low121 Ų12196.6 Ų96.653%0.52653%0.534SS..Hα-helixtrans-70.3-35.1168-58.7175.6-174.1173.90112.2V123 D124 H125 S130 L131V123-K127 HydrophobicContact CG1-CB 3.44Å; V123-K127 VanDerWaalsContact CG1-CB 3.44Å; D124-K127 HydrophobicContact CB-CB 4.39Å; D124-K127 HydrophobicContact CB-CD 4.01Å; D124-K127 HydrophobicContact CB-CG 4.07Å; D124-K127 CarbonylContact O-C 3.55Å; D124-K127 WeakPolarHBondContact O-CA 3.31Å; D124-K127 WeakPolarHBondContact O-CB 3.22Å; D124-K127 PolarHBondContact O-N 2.87Å; H125-K127 PolarHBondContact O-N 2.76Å; K127-S130 VanDerWaalsContact CA-OG 3.24Å; K127-S130 WeakPolarHBondContact CA-OG 3.24Å; K127-S130 CarbonylContact O-C 3.57Å; K127-S130 PolarHBondContact O-N 3.36Å; K127-S130 PolarHBondContact O-OG 3.4Å; K127-L131 WeakPolarHBondContact O-CA 3.41Å; K127-L131 WeakPolarHBondContact O-CB 3.48Å; K127-L131 PolarHBondContact O-N 2.64Å
128M59.9Low68.4Low97 Ų9799 Ų9948%0.47855%0.546SS..Hα-helixtrans-62.8-49.2175.8-175.182.5168.400112.3D124 H125 S130 L131 M132D124-M128 PolarHBondContact O-N 3.01Å; H125-M128 WeakPolarHBondContact O-CA 3.24Å; H125-M128 WeakPolarHBondContact O-CB 3.34Å; H125-M128 PolarHBondContact O-N 3.38Å; M128-S130 VanDerWaalsContact C-N 3.31Å; M128-S130 PolarHBondContact O-N 3.39Å; M128-L131 CarbonylContact O-C 3.56Å; M128-L131 WeakPolarHBondContact O-CB 3.38Å; M128-L131 PolarHBondContact O-N 3.3Å; M128-L131 VanDerWaalsContact O-N 3.11Å; M128-M132 PolarHBondContact O-N 3.26Å
129M62.5Low70.2Confident128 Ų12898.5 Ų98.563%0.63154%0.536SS*.Hα-helixtrans-61.5-43.8174.6-68.6-153.8-42.200110.9H125 L131 M132 E133H125-M129 PolarHBondContact O-N 2.99Å; M129-L131 PolarHBondContact O-N 3.49Å; M129-M132 WeakPolarHBondContact O-CB 3.05Å; M129-M132 PolarHBondContact O-N 2.79Å; M129-E133 PolarHBondContact O-N 3.11Å
130S77Confident72.2Confident56 Ų56101.2 Ų101.239%0.39253%0.527SS..Hα-helixtrans-63.9-32.5174.980.60000112.3Q126 K127 M128 E133 V134Q126-S130 WeakPolarHBondContact O-CB 3.38Å; Q126-S130 PolarHBondContact O-N 3.39Å; Q126-S130 VanDerWaalsContact O-N 3.15Å; Q126-S130 PolarHBondContact O-OG 2.72Å; K127-S130 VanDerWaalsContact CA-OG 3.24Å; K127-S130 WeakPolarHBondContact CA-OG 3.24Å; K127-S130 CarbonylContact O-C 3.57Å; K127-S130 PolarHBondContact O-N 3.36Å; K127-S130 PolarHBondContact O-OG 3.4Å; M128-S130 VanDerWaalsContact C-N 3.31Å; M128-S130 PolarHBondContact O-N 3.39Å; S130-E133 PolarHBondContact O-N 2.82Å; S130-V134 VanDerWaalsContact O-CB 3.3Å; S130-V134 WeakPolarHBondContact O-CB 3.14Å; S130-V134 WeakPolarHBondContact O-CG2 3.48Å; S130-V134 PolarHBondContact O-N 3.15Å
131L78.9Confident74.1Confident78 Ų7899.2 Ų99.241%0.40852%0.517SS..Hα-helixtrans-70.8-41.9178.3177.167.7000109.2K127 M128 M129 E133 V134 V135K127-L131 WeakPolarHBondContact O-CA 3.41Å; K127-L131 WeakPolarHBondContact O-CB 3.48Å; K127-L131 PolarHBondContact O-N 2.64Å; M128-L131 CarbonylContact O-C 3.56Å; M128-L131 WeakPolarHBondContact O-CB 3.38Å; M128-L131 PolarHBondContact O-N 3.3Å; M128-L131 VanDerWaalsContact O-N 3.11Å; M129-L131 PolarHBondContact O-N 3.49Å; L131-E133 VanDerWaalsContact C-N 3.32Å; L131-E133 PolarHBondContact O-N 3.42Å; L131-V134 CarbonylContact O-C 3.58Å; L131-V134 PolarHBondContact O-N 2.97Å; L131-V135 HydrophobicContact CD1-CG2 4.06Å; L131-V135 HydrophobicContact CG-CG2 4.19Å; L131-V135 VanDerWaalsContact O-CB 3.24Å; L131-V135 WeakPolarHBondContact O-CB 3.23Å; L131-V135 WeakPolarHBondContact O-CG2 3.19Å; L131-V135 PolarHBondContact O-N 3.41Å
132M79.7Confident76.2Confident134 Ų134101.1 Ų101.166%0.6652%0.515SS*.Hα-helixtrans-60.5-44.5174-165.877-171.500110.4M128 M129 V135 A136M128-M132 PolarHBondContact O-N 3.26Å; M129-M132 WeakPolarHBondContact O-CB 3.05Å; M129-M132 PolarHBondContact O-N 2.79Å; M132-V135 PolarHBondContact O-N 2.97Å; M132-A136 WeakPolarHBondContact O-CB 3.3Å; M132-A136 PolarHBondContact O-N 3.36Å
133E83.5Confident78.3Confident152 Ų15297 Ų9771%0.7150%0.501SS*.Hα-helixtrans-64.7-42.3176.1-172.9166.9-164.300111.9M129 S130 L131 A136 G137M129-E133 PolarHBondContact O-N 3.11Å; S130-E133 PolarHBondContact O-N 2.82Å; L131-E133 VanDerWaalsContact C-N 3.32Å; L131-E133 PolarHBondContact O-N 3.42Å; E133-A136 PolarHBondContact O-N 3.46Å; E133-G137 PolarHBondContact O-N 2.79Å
134V84.8Confident80.4Confident82 Ų8298.3 Ų98.350%0.49750%0.502SS..Hα-helixtrans-64.3-43174.7166.70000111.5S130 L131 G137 N138S130-V134 VanDerWaalsContact O-CB 3.3Å; S130-V134 WeakPolarHBondContact O-CB 3.14Å; S130-V134 WeakPolarHBondContact O-CG2 3.48Å; S130-V134 PolarHBondContact O-N 3.15Å; L131-V134 CarbonylContact O-C 3.58Å; L131-V134 PolarHBondContact O-N 2.97Å; V134-G137 PolarHBondContact O-N 3.12Å; V134-N138 WeakPolarHBondContact O-CB 3.39Å; V134-N138 PolarHBondContact O-N 3.39Å; V134-N138 PolarHBondContact O-ND2 2.85Å; V134-N138 VanDerWaalsContact O-ND2 3.12Å
135V86.9Confident82.2Confident60 Ų6099.4 Ų99.436%0.36450%0.504SS..Hα-helixtrans-67.2-43.4177.81690000110.2L131 M132 G137 N138 I139L131-V135 HydrophobicContact CD1-CG2 4.06Å; L131-V135 HydrophobicContact CG-CG2 4.19Å; L131-V135 VanDerWaalsContact O-CB 3.24Å; L131-V135 WeakPolarHBondContact O-CB 3.23Å; L131-V135 WeakPolarHBondContact O-CG2 3.19Å; L131-V135 PolarHBondContact O-N 3.41Å; M132-V135 PolarHBondContact O-N 2.97Å; V135-G137 VanDerWaalsContact C-N 3.34Å; V135-G137 PolarHBondContact O-N 3.29Å; V135-N138 PolarHBondContact O-N 3.41Å; V135-I139 HydrophobicContact CG1-CD1 3.76Å; V135-I139 HydrophobicContact CG1-CG1 4.42Å; V135-I139 WeakPolarHBondContact O-CB 3.41Å; V135-I139 VanDerWaalsContact O-CG1 3.23Å; V135-I139 WeakPolarHBondContact O-CG1 3.48Å; V135-I139 PolarHBondContact O-N 3.28Å
136A91.3Very high84.3Confident55 Ų55101.7 Ų101.746%0.45552%0.516SS..Hα-helixtrans-61.7-42.5174.600000111.5M132 E133 I139 Y140M132-A136 WeakPolarHBondContact O-CB 3.3Å; M132-A136 PolarHBondContact O-N 3.36Å; E133-A136 PolarHBondContact O-N 3.46Å; A136-I139 PolarHBondContact O-N 3.45Å; A136-Y140 WeakPolarHBondContact O-CB 3.12Å; A136-Y140 PolarHBondContact O-N 3.19Å
137G91.3Very high86.1Confident31 Ų3198 Ų9832%0.3250%0.501SS..Hα-helixtrans-60.7-47.9172.800000112.2E133 V134 V135 I139 Y140 D141E133-G137 PolarHBondContact O-N 2.79Å; V134-G137 PolarHBondContact O-N 3.12Å; V135-G137 VanDerWaalsContact C-N 3.34Å; V135-G137 PolarHBondContact O-N 3.29Å; G137-I139 VanDerWaalsContact C-N 3.34Å; G137-I139 PolarHBondContact O-N 2.84Å; G137-Y140 WeakPolarHBondContact O-CB 3.25Å; G137-Y140 PolarHBondContact O-N 2.86Å; G137-D141 PolarHBondContact O-N 3.2Å
138N92.3Very high87.9Confident89 Ų8996.1 Ų96.148%0.47650%0.497SS..Hα-helixtrans-60.3-41.9176.1-73.3-33.9000112.1V134 V135 D141 K142V134-N138 WeakPolarHBondContact O-CB 3.39Å; V134-N138 PolarHBondContact O-N 3.39Å; V134-N138 PolarHBondContact O-ND2 2.85Å; V134-N138 VanDerWaalsContact O-ND2 3.12Å; V135-N138 PolarHBondContact O-N 3.41Å; N138-D141 PolarHBondContact O-N 2.84Å; N138-K142 VanDerWaalsContact O-CG 3.25Å; N138-K142 WeakPolarHBondContact O-CG 3.47Å; N138-K142 PolarHBondContact O-N 3.45Å
139I94.8Very high89.6Confident93 Ų9394.3 Ų94.348%0.47749%0.494SS..Hα-helixtrans-64.5-45.1176.4-70.4165.3000110V135 A136 G137 D141 K142 L143V135-I139 HydrophobicContact CG1-CD1 3.76Å; V135-I139 HydrophobicContact CG1-CG1 4.42Å; V135-I139 WeakPolarHBondContact O-CB 3.41Å; V135-I139 VanDerWaalsContact O-CG1 3.23Å; V135-I139 WeakPolarHBondContact O-CG1 3.48Å; V135-I139 PolarHBondContact O-N 3.28Å; A136-I139 PolarHBondContact O-N 3.45Å; G137-I139 VanDerWaalsContact C-N 3.34Å; G137-I139 PolarHBondContact O-N 2.84Å; I139-D141 VanDerWaalsContact C-N 3.32Å; I139-D141 PolarHBondContact O-N 2.93Å; I139-K142 PolarHBondContact O-N 3.41Å; I139-L143 HydrophobicContact CG2-CD1 3.87Å; I139-L143 HydrophobicContact CG2-CG 4.23Å; I139-L143 WeakPolarHBondContact O-CB 3.41Å; I139-L143 VanDerWaalsContact O-CG 3.3Å; I139-L143 WeakPolarHBondContact O-CG 3.3Å; I139-L143 PolarHBondContact O-N 2.85Å
140Y94.7Very high91.2Very high155 Ų15592 Ų9261%0.60848%0.482SS*.Hα-helixtrans-56.9-46.7175.8178-93.6000111.2A136 G137 K142 L143 K144A136-Y140 WeakPolarHBondContact O-CB 3.12Å; A136-Y140 PolarHBondContact O-N 3.19Å; G137-Y140 WeakPolarHBondContact O-CB 3.25Å; G137-Y140 PolarHBondContact O-N 2.86Å; Y140-K142 VanDerWaalsContact C-N 3.33Å; Y140-K142 PolarHBondContact O-N 3.43Å; Y140-L143 PolarHBondContact O-N 3.5Å; Y140-K144 VanDerWaalsContact O-CB 3.29Å; Y140-K144 WeakPolarHBondContact O-CB 3.34Å; Y140-K144 PolarHBondContact O-N 3.4Å
141D94.7Very high92.1Very high99 Ų9992.5 Ų92.553%0.52948%0.482SS..Hα-helixtrans-62.3-39.2177.3-71.3-18.9000112.2G137 N138 I139 K144 Q145G137-D141 PolarHBondContact O-N 3.2Å; N138-D141 PolarHBondContact O-N 2.84Å; I139-D141 VanDerWaalsContact C-N 3.32Å; I139-D141 PolarHBondContact O-N 2.93Å; D141-K144 PolarHBondContact O-N 3Å; D141-Q145 WeakPolarHBondContact O-CB 3.4Å; D141-Q145 PolarHBondContact O-N 2.93Å
142K95.7Very high92.9Very high139 Ų13993.9 Ų93.960%0.60449%0.486SS*.Hα-helixtrans-67.5-42.3175.7-69.9-64.7176.7-169.10112.5N138 I139 Y140 K144 Q145 M146N138-K142 VanDerWaalsContact O-CG 3.25Å; N138-K142 WeakPolarHBondContact O-CG 3.47Å; N138-K142 PolarHBondContact O-N 3.45Å; I139-K142 PolarHBondContact O-N 3.41Å; Y140-K142 VanDerWaalsContact C-N 3.33Å; Y140-K142 PolarHBondContact O-N 3.43Å; K142-K144 VanDerWaalsContact C-N 3.34Å; K142-Q145 PolarHBondContact O-N 2.86Å; K142-M146 WeakPolarHBondContact O-CB 3.29Å; K142-M146 PolarHBondContact O-N 3.37Å
143L96.7Very high93.7Very high95 Ų9593.2 Ų93.250%0.49748%0.481SS..Hα-helixtrans-65.2-41175.9-69.5175.1000111I139 Y140 M146 D147I139-L143 HydrophobicContact CG2-CD1 3.87Å; I139-L143 HydrophobicContact CG2-CG 4.23Å; I139-L143 WeakPolarHBondContact O-CB 3.41Å; I139-L143 VanDerWaalsContact O-CG 3.3Å; I139-L143 WeakPolarHBondContact O-CG 3.3Å; I139-L143 PolarHBondContact O-N 2.85Å; Y140-L143 PolarHBondContact O-N 3.5Å; L143-M146 HydrophobicContact CD2-CE 4Å; L143-M146 PolarHBondContact O-N 3.42Å; L143-D147 WeakPolarHBondContact O-CB 3.34Å; L143-D147 PolarHBondContact O-N 3.06Å
144K96.3Very high94.3Very high89 Ų8994 Ų9439%0.38748%0.477SS..Hα-helixtrans-61.9-46.7175.4-17767.8-172137.90111.5Y140 D141 K142 M146 D147 D148Y140-K144 VanDerWaalsContact O-CB 3.29Å; Y140-K144 WeakPolarHBondContact O-CB 3.34Å; Y140-K144 PolarHBondContact O-N 3.4Å; D141-K144 PolarHBondContact O-N 3Å; K142-K144 VanDerWaalsContact C-N 3.34Å; K144-M146 VanDerWaalsContact C-N 3.31Å; K144-M146 PolarHBondContact O-N 3.24Å; K144-D147 PolarHBondContact O-N 3.45Å; K144-D148 IonicContact NZ-OD1 2.77Å; K144-D148 PolarHBondContact NZ-OD1 2.89Å; K144-D148 IonicContact NZ-OD2 3.71Å; K144-D148 WeakPolarHBondContact O-CB 3.26Å; K144-D148 VanDerWaalsContact O-CG 3.26Å; K144-D148 PolarHBondContact O-N 3.36Å
145Q96.4Very high94.8Very high123 Ų12395 Ų9558%0.57548%0.48SS*.Hα-helixtrans-58.8-42.4173.7175173.466.700111.8D141 K142 S149D141-Q145 WeakPolarHBondContact O-CB 3.4Å; D141-Q145 PolarHBondContact O-N 2.93Å; K142-Q145 PolarHBondContact O-N 2.86Å; Q145-S149 VanDerWaalsContact O-CB 3.26Å; Q145-S149 WeakPolarHBondContact O-CB 3.4Å; Q145-S149 PolarHBondContact O-N 3.48Å
146M96.5Very high95.3Very high99 Ų9996.2 Ų96.249%0.48848%0.484SS..Hα-helixtrans-66.5-42.8178.2-173.3176.569.500111.9K142 L143 K144 S149 Q150K142-M146 WeakPolarHBondContact O-CB 3.29Å; K142-M146 PolarHBondContact O-N 3.37Å; L143-M146 HydrophobicContact CD2-CE 4Å; L143-M146 PolarHBondContact O-N 3.42Å; K144-M146 VanDerWaalsContact C-N 3.31Å; K144-M146 PolarHBondContact O-N 3.24Å; M146-S149 PolarHBondContact O-N 2.83Å; M146-Q150 WeakPolarHBondContact O-CB 3.35Å; M146-Q150 WeakPolarHBondContact O-CG 3.39Å; M146-Q150 PolarHBondContact O-N 3.07Å
147D96.3Very high95.5Very high84 Ų84100.6 Ų100.645%0.44950%0.495SS..Hα-helixtrans-63.9-45.3177-175.759.9000111.9L143 K144 S149 Q150 T151L143-D147 WeakPolarHBondContact O-CB 3.34Å; L143-D147 PolarHBondContact O-N 3.06Å; K144-D147 PolarHBondContact O-N 3.45Å; D147-S149 VanDerWaalsContact C-N 3.33Å; D147-S149 PolarHBondContact O-N 2.84Å; D147-Q150 PolarHBondContact O-N 2.9Å; D147-T151 WeakPolarHBondContact O-CB 3.35Å; D147-T151 PolarHBondContact O-N 3.42Å; D147-T151 PolarHBondContact O-OG1 2.77Å
148D96.3Very high95.7Very high81 Ų81101.7 Ų101.743%0.43350%0.501SS..Hα-helixtrans-63.2-40.4175.7-69.1-13000110.7K144 T151 H152K144-D148 IonicContact NZ-OD1 2.77Å; K144-D148 PolarHBondContact NZ-OD1 2.89Å; K144-D148 IonicContact NZ-OD2 3.71Å; K144-D148 WeakPolarHBondContact O-CB 3.26Å; K144-D148 VanDerWaalsContact O-CG 3.26Å; K144-D148 PolarHBondContact O-N 3.36Å; D148-T151 PolarHBondContact O-N 2.89Å; D148-H152 WeakPolarHBondContact O-CB 3.3Å; D148-H152 PolarHBondContact O-N 3.31Å
149S95.9Very high95.9Very high58 Ų58102.1 Ų102.141%0.40651%0.507SS..Hα-helixtrans-64.6-43.2174.9-169.10000112.2Q145 M146 D147 H152 H153Q145-S149 VanDerWaalsContact O-CB 3.26Å; Q145-S149 WeakPolarHBondContact O-CB 3.4Å; Q145-S149 PolarHBondContact O-N 3.48Å; M146-S149 PolarHBondContact O-N 2.83Å; D147-S149 VanDerWaalsContact C-N 3.33Å; D147-S149 PolarHBondContact O-N 2.84Å; S149-H152 PolarHBondContact O-N 3.28Å; S149-H153 PolarHBondContact O-CD2 2.95Å; S149-H153 PolarHBondContact O-N 2.85Å
150Q96.1Very high96Very high81 Ų8199.6 Ų99.638%0.37950%0.504SS..Hα-helixtrans-64.3-43.1176.2-76.8-175.328.500111.2M146 D147 H152 H153 R154M146-Q150 WeakPolarHBondContact O-CB 3.35Å; M146-Q150 WeakPolarHBondContact O-CG 3.39Å; M146-Q150 PolarHBondContact O-N 3.07Å; D147-Q150 PolarHBondContact O-N 2.9Å; Q150-H152 VanDerWaalsContact C-N 3.33Å; Q150-H152 PolarHBondContact O-N 3.47Å; Q150-H153 PolarHBondContact O-N 2.95Å; Q150-R154 VanDerWaalsContact O-CG 3.3Å; Q150-R154 WeakPolarHBondContact O-CG 3.5Å; Q150-R154 PolarHBondContact O-N 3.49Å
151T95.5Very high96Very high65 Ų65100.3 Ų100.340%0.39951%0.506SS..Hα-helixtrans-61.5-44177.1-60.80000110.6D147 D148 H153 R154 L155D147-T151 WeakPolarHBondContact O-CB 3.35Å; D147-T151 PolarHBondContact O-N 3.42Å; D147-T151 PolarHBondContact O-OG1 2.77Å; D148-T151 PolarHBondContact O-N 2.89Å; T151-H153 PolarHBondContact O-N 3.46Å; T151-R154 PolarHBondContact O-N 3.27Å; T151-L155 HydrophobicContact CG2-CD1 4.31Å; T151-L155 WeakPolarHBondContact O-CG 3.37Å; T151-L155 PolarHBondContact O-N 3.47Å
152H95.7Very high96Very high108 Ų108101.2 Ų101.250%0.551%0.505SS..Hα-helixtrans-59.8-44.5174.7-174.370.8000112.4D148 S149 Q150 R154 L155 N156D148-H152 WeakPolarHBondContact O-CB 3.3Å; D148-H152 PolarHBondContact O-N 3.31Å; S149-H152 PolarHBondContact O-N 3.28Å; Q150-H152 VanDerWaalsContact C-N 3.33Å; Q150-H152 PolarHBondContact O-N 3.47Å; H152-R154 PolarHBondContact O-N 2.93Å; H152-L155 PolarHBondContact O-N 3.26Å; H152-N156 PolarHBondContact NE2-ND2 2.85Å; H152-N156 PolarHBondContact O-N 3.47Å
153H95.5Very high96Very high119 Ų119100.6 Ų100.655%0.55150%0.502SS*.Hα-helixtrans-61.1-44.2175.3-77.7-60000112.6S149 Q150 T151 L155 N156 E157S149-H153 PolarHBondContact O-CD2 2.95Å; S149-H153 PolarHBondContact O-N 2.85Å; Q150-H153 PolarHBondContact O-N 2.95Å; T151-H153 PolarHBondContact O-N 3.46Å; H153-L155 VanDerWaalsContact C-N 3.34Å; H153-L155 PolarHBondContact O-N 3.06Å; H153-N156 PolarHBondContact O-N 3.35Å; H153-E157 PolarHBondContact O-N 2.9Å
154R96.3Very high95.9Very high168 Ų16898.6 Ų98.663%0.63450%0.5SS*.Hα-helixtrans-63.1-39.5177.9-70.3174.4-170.8-139.87.6112.2Q150 T151 H152 E157 A158Q150-R154 VanDerWaalsContact O-CG 3.3Å; Q150-R154 WeakPolarHBondContact O-CG 3.5Å; Q150-R154 PolarHBondContact O-N 3.49Å; T151-R154 PolarHBondContact O-N 3.27Å; H152-R154 PolarHBondContact O-N 2.93Å; R154-E157 PolarHBondContact O-N 2.93Å; R154-A158 WeakPolarHBondContact O-CB 3.35Å; R154-A158 PolarHBondContact O-N 3.3Å
155L96.3Very high95.8Very high105 Ų10597.5 Ų97.555%0.5550%0.496SS..Hα-helixtrans-63.7-45.5175.8-71.6173.7000111.3T151 H152 H153 E157 A158 T159T151-L155 HydrophobicContact CG2-CD1 4.31Å; T151-L155 WeakPolarHBondContact O-CG 3.37Å; T151-L155 PolarHBondContact O-N 3.47Å; H152-L155 PolarHBondContact O-N 3.26Å; H153-L155 VanDerWaalsContact C-N 3.34Å; H153-L155 PolarHBondContact O-N 3.06Å; L155-E157 PolarHBondContact O-N 3.46Å; L155-A158 PolarHBondContact O-N 3.49Å; L155-T159 PolarHBondContact O-N 2.97Å; L155-T159 PolarHBondContact O-OG1 3.45Å; L155-T159 VanDerWaalsContact O-OG1 3.13Å
156N96.6Very high95.6Very high84 Ų8498.3 Ų98.345%0.44950%0.5SS..Hα-helixtrans-63.4-40.5177.3-70.5-13.8000112.3H152 H153 T159 G160H152-N156 PolarHBondContact NE2-ND2 2.85Å; H152-N156 PolarHBondContact O-N 3.47Å; H153-N156 PolarHBondContact O-N 3.35Å; N156-T159 PolarHBondContact O-N 2.87Å; N156-G160 PolarHBondContact O-N 3.47Å
157E95.9Very high95.4Very high148 Ų14897.9 Ų97.969%0.69250%0.499SS*.Hα-helixtrans-62.7-44.7174.5-173.6-176167.700111.3H153 R154 L155 T159 G160 R161H153-E157 PolarHBondContact O-N 2.9Å; R154-E157 PolarHBondContact O-N 2.93Å; L155-E157 PolarHBondContact O-N 3.46Å; E157-T159 PolarHBondContact O-N 3.32Å; E157-G160 PolarHBondContact O-N 3.49Å; E157-R161 WeakPolarHBondContact O-CB 3.38Å; E157-R161 PolarHBondContact O-N 2.9Å
158A96Very high95.3Very high54 Ų5498.4 Ų98.445%0.44650%0.502SS..Hα-helixtrans-62.2-43.5177.600000112.1R154 L155 R161 K162R154-A158 WeakPolarHBondContact O-CB 3.35Å; R154-A158 PolarHBondContact O-N 3.3Å; L155-A158 PolarHBondContact O-N 3.49Å; A158-R161 PolarHBondContact O-N 3.49Å; A158-K162 WeakPolarHBondContact O-CG 3.43Å; A158-K162 PolarHBondContact O-N 2.9Å
159T96.2Very high95.2Very high97 Ų9799.8 Ų99.860%0.59551%0.509SS*.Hα-helixtrans-64.6-44.3174.9-59.80000111.6L155 N156 E157 R161 K162 F163L155-T159 PolarHBondContact O-N 2.97Å; L155-T159 PolarHBondContact O-OG1 3.45Å; L155-T159 VanDerWaalsContact O-OG1 3.13Å; N156-T159 PolarHBondContact O-N 2.87Å; E157-T159 PolarHBondContact O-N 3.32Å; T159-R161 VanDerWaalsContact C-N 3.33Å; T159-R161 PolarHBondContact O-N 3.13Å; T159-K162 PolarHBondContact O-N 2.96Å; T159-F163 PolarHBondContact O-N 3.23Å
160G95.4Very high95.1Very high40 Ų4098.6 Ų98.641%0.41251%0.506SS..Hα-helixtrans-61.2-41.9177.200000112.2N156 E157 F163 A164N156-G160 PolarHBondContact O-N 3.47Å; E157-G160 PolarHBondContact O-N 3.49Å; G160-F163 PolarHBondContact O-N 2.92Å; G160-A164 WeakPolarHBondContact O-CB 3.18Å; G160-A164 PolarHBondContact O-N 3.26Å
161R96Very high95.1Very high171 Ų17199 Ų9965%0.64551%0.514SS*.Hα-helixtrans-63.4-42.9174.7-176.4178.1167.7-170.1-1.5112E157 A158 T159 A164 E165E157-R161 WeakPolarHBondContact O-CB 3.38Å; E157-R161 PolarHBondContact O-N 2.9Å; A158-R161 PolarHBondContact O-N 3.49Å; T159-R161 VanDerWaalsContact C-N 3.33Å; T159-R161 PolarHBondContact O-N 3.13Å; R161-A164 PolarHBondContact O-N 3.26Å; R161-E165 IonicContact CZ-OE1 3.35Å; R161-E165 IonicContact NE-OE1 2.85Å; R161-E165 PolarHBondContact NE-OE1 3.1Å; R161-E165 IonicContact NH2-OE1 3.1Å; R161-E165 PolarHBondContact NH2-OE1 2.85Å; R161-E165 VanDerWaalsContact NH2-OE1 3.1Å; R161-E165 WeakPolarHBondContact O-CG 3.37Å; R161-E165 PolarHBondContact O-N 3.47Å
162K95.4Very high95.1Very high118 Ų118100.2 Ų100.251%0.51352%0.517SS..Hα-helixtrans-61.8-45.7177.1-76.9-75.5158.7-143.50112.2A158 T159 A164 E165 E166A158-K162 WeakPolarHBondContact O-CG 3.43Å; A158-K162 PolarHBondContact O-N 2.9Å; T159-K162 PolarHBondContact O-N 2.96Å; K162-A164 VanDerWaalsContact C-N 3.31Å; K162-A164 PolarHBondContact O-N 3.28Å; K162-E165 IonicContact NZ-OE2 2.81Å; K162-E165 PolarHBondContact NZ-OE2 3.02Å; K162-E165 PolarHBondContact O-N 2.86Å; K162-E166 WeakPolarHBondContact O-CG 3.36Å; K162-E166 PolarHBondContact O-N 3.42Å
163F94Very high95Very high125 Ų125101.1 Ų101.155%0.54853%0.525SS..Hα-helixtrans-61.9-39.3175.9-175-108.8000112.2T159 G160 L167T159-F163 PolarHBondContact O-N 3.23Å; G160-F163 PolarHBondContact O-N 2.92Å; F163-L167 HydrophobicContact CD1-CD1 3.68Å; F163-L167 HydrophobicContact CD1-CG 4.48Å; F163-L167 HydrophobicContact CE1-CD1 3.25Å; F163-L167 HydrophobicContact CE1-CG 4.18Å; F163-L167 HydrophobicContact CE2-CD1 4.35Å; F163-L167 HydrophobicContact CE2-CG 4.45Å; F163-L167 HydrophobicContact CG-CD1 4.4Å; F163-L167 HydrophobicContact CZ-CD1 3.63Å; F163-L167 HydrophobicContact CZ-CD2 4.47Å; F163-L167 HydrophobicContact CZ-CG 4.16Å; F163-L167 WeakPolarHBondContact O-CB 3.23Å; F163-L167 WeakPolarHBondContact O-CG 3.41Å; F163-L167 PolarHBondContact O-N 3.45Å
164A94.5Very high95Very high54 Ų54105.1 Ų105.145%0.44654%0.536SS..Hα-helixtrans-65.9-41.7174.900000112.8G160 R161 K162 L167 N168G160-A164 WeakPolarHBondContact O-CB 3.18Å; G160-A164 PolarHBondContact O-N 3.26Å; R161-A164 PolarHBondContact O-N 3.26Å; K162-A164 VanDerWaalsContact C-N 3.31Å; K162-A164 PolarHBondContact O-N 3.28Å; A164-L167 PolarHBondContact O-N 3.43Å; A164-N168 WeakPolarHBondContact O-CB 3.33Å; A164-N168 PolarHBondContact O-N 3Å
165E94.4Very high95Very high65 Ų6599.4 Ų99.430%0.30452%0.522SS..Hα-helixtrans-59.9-49174.7-74.2171.5-179.400110.8R161 K162 L167 N168 D169R161-E165 IonicContact CZ-OE1 3.35Å; R161-E165 IonicContact NE-OE1 2.85Å; R161-E165 PolarHBondContact NE-OE1 3.1Å; R161-E165 IonicContact NH2-OE1 3.1Å; R161-E165 PolarHBondContact NH2-OE1 2.85Å; R161-E165 VanDerWaalsContact NH2-OE1 3.1Å; R161-E165 WeakPolarHBondContact O-CG 3.37Å; R161-E165 PolarHBondContact O-N 3.47Å; K162-E165 IonicContact NZ-OE2 2.81Å; K162-E165 PolarHBondContact NZ-OE2 3.02Å; K162-E165 PolarHBondContact O-N 2.86Å; E165-L167 PolarHBondContact O-N 3.45Å; E165-N168 PolarHBondContact O-N 3.45Å; E165-D169 PolarHBondContact O-N 2.98Å; E165-D169 VanDerWaalsContact O-N 3.12Å
166E92.1Very high95Very high140 Ų14098.8 Ų98.865%0.65452%0.518SS*.Hα-helixtrans-62-41.5178.7-72.1175.3-179.400113K162K162-E166 WeakPolarHBondContact O-CG 3.36Å; K162-E166 PolarHBondContact O-N 3.42Å
167L93.3Very high94.9Very high90 Ų9096.5 Ų96.547%0.47151%0.514SS..Hα-helixtrans-67.1-44.8175.6-78.2174000112.1F163 A164 E165 D169 G170 V171F163-L167 HydrophobicContact CD1-CD1 3.68Å; F163-L167 HydrophobicContact CD1-CG 4.48Å; F163-L167 HydrophobicContact CE1-CD1 3.25Å; F163-L167 HydrophobicContact CE1-CG 4.18Å; F163-L167 HydrophobicContact CE2-CD1 4.35Å; F163-L167 HydrophobicContact CE2-CG 4.45Å; F163-L167 HydrophobicContact CG-CD1 4.4Å; F163-L167 HydrophobicContact CZ-CD1 3.63Å; F163-L167 HydrophobicContact CZ-CD2 4.47Å; F163-L167 HydrophobicContact CZ-CG 4.16Å; F163-L167 WeakPolarHBondContact O-CB 3.23Å; F163-L167 WeakPolarHBondContact O-CG 3.41Å; F163-L167 PolarHBondContact O-N 3.45Å; A164-L167 PolarHBondContact O-N 3.43Å; E165-L167 PolarHBondContact O-N 3.45Å; L167-D169 PolarHBondContact O-N 3.32Å; L167-G170 PolarHBondContact O-N 3.01Å; L167-V171 WeakPolarHBondContact O-CB 3.43Å; L167-V171 VanDerWaalsContact O-CG2 3.23Å; L167-V171 WeakPolarHBondContact O-CG2 3.43Å; L167-V171 PolarHBondContact O-N 3.46Å
168N94.8Very high94.9Very high96 Ų9695.6 Ų95.651%0.51351%0.51SS..Hα-helixtrans-61.4-43.8-176.8178.577.5000111.6A164 E165 G170 V171 L172A164-N168 WeakPolarHBondContact O-CB 3.33Å; A164-N168 PolarHBondContact O-N 3Å; E165-N168 PolarHBondContact O-N 3.45Å; N168-G170 PolarHBondContact O-N 2.97Å; N168-V171 PolarHBondContact O-N 2.85Å; N168-L172 WeakPolarHBondContact O-CB 3.49Å; N168-L172 PolarHBondContact O-N 3.47Å
169D94.4Very high94.9Very high109 Ų10997 Ų9758%0.58351%0.513SS*.Hα-helixtrans-63-42.6-177.8-74.7-3.1000112.2E165 L167 L173E165-D169 PolarHBondContact O-N 2.98Å; E165-D169 VanDerWaalsContact O-N 3.12Å; L167-D169 PolarHBondContact O-N 3.32Å; D169-L173 PolarHBondContact O-N 3.32Å
170G93.3Very high94.9Very high33 Ų3396.5 Ų96.534%0.3451%0.51SS..Hα-helixtrans-68-47.7176.500000112.8L167 N168 L172 L173 W174L167-G170 PolarHBondContact O-N 3.01Å; N168-G170 PolarHBondContact O-N 2.97Å; G170-L172 VanDerWaalsContact C-N 3.33Å; G170-L172 PolarHBondContact O-N 3.49Å; G170-L173 PolarHBondContact O-N 3.22Å; G170-W174 PolarHBondContact O-N 3.22Å
171V94.8Very high94.9Very high89 Ų8998.5 Ų98.554%0.53951%0.514SS..Hα-helixtrans-64.7-38.2-178.51730000111.4L167 N168 W174 S175L167-V171 WeakPolarHBondContact O-CB 3.43Å; L167-V171 VanDerWaalsContact O-CG2 3.23Å; L167-V171 WeakPolarHBondContact O-CG2 3.43Å; L167-V171 PolarHBondContact O-N 3.46Å; N168-V171 PolarHBondContact O-N 2.85Å; V171-W174 PolarHBondContact O-N 2.94Å; V171-S175 WeakPolarHBondContact O-CB 3.32Å; V171-S175 PolarHBondContact O-N 2.92Å; V171-S175 PolarHBondContact O-OG 2.93Å
172L95.8Very high94.9Very high91 Ų9196.7 Ų96.748%0.47651%0.514SS..Hα-helixtrans-62.3-46177.5-179.962.6000111.4N168 G170 W174 S175 I176N168-L172 WeakPolarHBondContact O-CB 3.49Å; N168-L172 PolarHBondContact O-N 3.47Å; G170-L172 VanDerWaalsContact C-N 3.33Å; G170-L172 PolarHBondContact O-N 3.49Å; L172-W174 PolarHBondContact O-N 3.2Å; L172-S175 PolarHBondContact O-N 3.45Å; L172-I176 HydrophobicContact CD1-CD1 4.19Å; L172-I176 HydrophobicContact CD1-CG1 4.35Å; L172-I176 HydrophobicContact CG-CD1 4.01Å; L172-I176 VanDerWaalsContact O-CG1 3.31Å; L172-I176 WeakPolarHBondContact O-CG1 3.47Å; L172-I176 PolarHBondContact O-N 3.47Å
173L94.6Very high94.8Very high127 Ų12795.1 Ų95.167%0.66551%0.514SS*.Hα-helixtrans-60.9-46178.6-176.765.3000111.8D169 G170 S175 I176 G177D169-L173 PolarHBondContact O-N 3.32Å; G170-L173 PolarHBondContact O-N 3.22Å; L173-S175 VanDerWaalsContact C-N 3.33Å; L173-S175 PolarHBondContact O-N 2.71Å; L173-I176 PolarHBondContact O-N 3.48Å; L173-G177 PolarHBondContact O-N 3.45Å; L173-G177 VanDerWaalsContact O-N 3.15Å
174W96Very high94.8Very high204 Ų20493.1 Ų93.177%0.77351%0.513SS*.Hα-helixtrans-63-38.9176.3-75.2114.7000112.4G170 V171 L172 G177 Q178G170-W174 PolarHBondContact O-N 3.22Å; V171-W174 PolarHBondContact O-N 2.94Å; L172-W174 PolarHBondContact O-N 3.2Å; W174-G177 PolarHBondContact O-N 3.34Å; W174-Q178 PolarHBondContact O-N 3.12Å
175S95Very high94.8Very high48 Ų4894.9 Ų94.934%0.33651%0.514SS..Hα-helixtrans-68.9-38.7179.2-57.80000112.8V171 L172 L173 G177 Q178 T179V171-S175 WeakPolarHBondContact O-CB 3.32Å; V171-S175 PolarHBondContact O-N 2.92Å; V171-S175 PolarHBondContact O-OG 2.93Å; L172-S175 PolarHBondContact O-N 3.45Å; L173-S175 VanDerWaalsContact C-N 3.33Å; L173-S175 PolarHBondContact O-N 2.71Å; S175-G177 VanDerWaalsContact C-N 3.31Å; S175-Q178 PolarHBondContact O-N 3.24Å; S175-T179 PolarHBondContact O-N 3.35Å; S175-T179 PolarHBondContact O-OG1 3.03Å
176I96.1Very high94.7Very high91 Ų9193.9 Ų93.947%0.46752%0.52SS..Hα-helixtrans-60.3-45.7172.5-69.9166000109.6L172 L173 Q178 T179 V180L172-I176 HydrophobicContact CD1-CD1 4.19Å; L172-I176 HydrophobicContact CD1-CG1 4.35Å; L172-I176 HydrophobicContact CG-CD1 4.01Å; L172-I176 VanDerWaalsContact O-CG1 3.31Å; L172-I176 WeakPolarHBondContact O-CG1 3.47Å; L172-I176 PolarHBondContact O-N 3.47Å; L173-I176 PolarHBondContact O-N 3.48Å; I176-Q178 PolarHBondContact O-N 2.81Å; I176-T179 PolarHBondContact O-N 2.89Å; I176-V180 WeakPolarHBondContact O-CG2 3.31Å; I176-V180 PolarHBondContact O-N 3.49Å
177G95.7Very high94.7Very high37 Ų3792.4 Ų92.438%0.38152%0.516SS..Hα-helixtrans-56-47.8175.700000112.6L173 W174 S175 T179 V180 V181L173-G177 PolarHBondContact O-N 3.45Å; L173-G177 VanDerWaalsContact O-N 3.15Å; W174-G177 PolarHBondContact O-N 3.34Å; S175-G177 VanDerWaalsContact C-N 3.31Å; G177-T179 PolarHBondContact O-N 3.48Å; G177-V180 PolarHBondContact O-N 2.88Å; G177-V181 WeakPolarHBondContact O-CG2 3.16Å; G177-V181 PolarHBondContact O-N 3.45Å
178Q96.1Very high94.5Very high129 Ų12990.4 Ų90.460%0.60352%0.517SS*.Hα-helixtrans-61.5-42.1176.2-72.7-170.2-15.300112.7W174 S175 I176 V180 V181 M182W174-Q178 PolarHBondContact O-N 3.12Å; S175-Q178 PolarHBondContact O-N 3.24Å; I176-Q178 PolarHBondContact O-N 2.81Å; Q178-V180 PolarHBondContact O-N 3.44Å; Q178-V181 PolarHBondContact O-N 3.41Å; Q178-M182 WeakPolarHBondContact O-CG 3.45Å; Q178-M182 PolarHBondContact O-N 3.06Å
179T95.7Very high94.2Very high84 Ų8493.4 Ų93.452%0.51553%0.528SS..Hα-helixtrans-62.2-43.4179.9-56.10000111.3S175 I176 G177 V181 M182 V183S175-T179 PolarHBondContact O-N 3.35Å; S175-T179 PolarHBondContact O-OG1 3.03Å; I176-T179 PolarHBondContact O-N 2.89Å; G177-T179 PolarHBondContact O-N 3.48Å; T179-V181 VanDerWaalsContact C-N 3.32Å; T179-V181 PolarHBondContact O-N 3.11Å; T179-M182 PolarHBondContact O-N 3.49Å; T179-V183 WeakPolarHBondContact O-CG2 3.39Å; T179-V183 PolarHBondContact O-N 3.29Å
180V96.4Very high93.9Very high86 Ų8694.1 Ų94.152%0.52154%0.536SS..Hα-helixtrans-59.9-43.6176.2172.40000111I176 G177 Q178 M182 V183 T184I176-V180 WeakPolarHBondContact O-CG2 3.31Å; I176-V180 PolarHBondContact O-N 3.49Å; G177-V180 PolarHBondContact O-N 2.88Å; Q178-V180 PolarHBondContact O-N 3.44Å; V180-M182 PolarHBondContact O-N 3.04Å; V180-V183 PolarHBondContact O-N 3.01Å; V180-T184 WeakPolarHBondContact O-CG2 3.41Å; V180-T184 PolarHBondContact O-N 3.36Å
181V95.7Very high92.6Very high81 Ų8199.8 Ų99.849%0.49157%0.57SS.*Hα-helixtrans-63.8-38.6177175.10000112G177 Q178 T179 T184 I185G177-V181 WeakPolarHBondContact O-CG2 3.16Å; G177-V181 PolarHBondContact O-N 3.45Å; Q178-V181 PolarHBondContact O-N 3.41Å; T179-V181 VanDerWaalsContact C-N 3.32Å; T179-V181 PolarHBondContact O-N 3.11Å; V181-T184 PolarHBondContact O-N 3.01Å; V181-T184 PolarHBondContact O-OG1 3.27Å; V181-I185 HydrophobicContact CG1-CD1 3.97Å; V181-I185 WeakPolarHBondContact O-CG1 3.33Å; V181-I185 PolarHBondContact O-N 2.97Å
182M94.5Very high92.5Very high133 Ų133100.3 Ų100.366%0.65557%0.572SS**Hα-helixtrans-64.9-39.2175.6-70.5-176.8-176.900112.3Q178 T179 V180 G186Q178-M182 WeakPolarHBondContact O-CG 3.45Å; Q178-M182 PolarHBondContact O-N 3.06Å; T179-M182 PolarHBondContact O-N 3.49Å; V180-M182 PolarHBondContact O-N 3.04Å; M182-G186 PolarHBondContact O-N 3.45Å
183V94.2Very high92.4Very high85 Ų85100.8 Ų100.852%0.51558%0.577SS.*Hα-helixtrans-66.1-42.5177.7172.70000111.4T179 V180 I185 G186 I187T179-V183 WeakPolarHBondContact O-CG2 3.39Å; T179-V183 PolarHBondContact O-N 3.29Å; V180-V183 PolarHBondContact O-N 3.01Å; V183-I185 PolarHBondContact O-N 3.43Å; V183-G186 PolarHBondContact O-N 3.2Å; V183-I187 HydrophobicContact CG1-CD1 3.95Å; V183-I187 WeakPolarHBondContact O-CG1 3.38Å; V183-I187 PolarHBondContact O-N 3.18Å
184T93.8Very high92.2Very high84 Ų8499.3 Ų99.352%0.51557%0.572SS.*Hα-helixtrans-65.4-39.5179.256.90000112V180 V181 G188V180-T184 WeakPolarHBondContact O-CG2 3.41Å; V180-T184 PolarHBondContact O-N 3.36Å; V181-T184 PolarHBondContact O-N 3.01Å; V181-T184 PolarHBondContact O-OG1 3.27Å; T184-G188 PolarHBondContact O-N 3.48Å
185I94.2Very high92Very high91 Ų9193.2 Ų93.247%0.46756%0.56SS.*Hα-helixtrans-66-42174.4-65.1168.3000110.8V181 V183 I187 G188 Q189V181-I185 HydrophobicContact CG1-CD1 3.97Å; V181-I185 WeakPolarHBondContact O-CG1 3.33Å; V181-I185 PolarHBondContact O-N 2.97Å; V183-I185 PolarHBondContact O-N 3.43Å; I185-I187 PolarHBondContact O-N 2.92Å; I185-G188 CarbonylContact O-C 3.53Å; I185-G188 WeakPolarHBondContact O-CA 3.48Å; I185-G188 PolarHBondContact O-N 3.03Å; I185-G188 VanDerWaalsContact O-N 3.11Å; I185-Q189 HydrophobicContact CG2-CG 4.37Å; I185-Q189 WeakPolarHBondContact O-CG 3.41Å; I185-Q189 PolarHBondContact O-N 3.43Å
186G91.9Very high91.8Very high43 Ų4396 Ų9644%0.44357%0.574SS.*Hα-helixtrans-61.9-42178.400000113.3M182 V183 G188 Q189 V190M182-G186 PolarHBondContact O-N 3.45Å; V183-G186 PolarHBondContact O-N 3.2Å; G186-G188 VanDerWaalsContact C-N 3.31Å; G186-Q189 PolarHBondContact O-N 3.2Å; G186-V190 PolarHBondContact O-N 3.32Å
187I92.7Very high91.6Very high110 Ų11096.3 Ų96.356%0.56458%0.581SS**Hα-helixtrans-64.1-39172.2-64.9166.4000110.5V183 I185 Q189 V190V183-I187 HydrophobicContact CG1-CD1 3.95Å; V183-I187 WeakPolarHBondContact O-CG1 3.38Å; V183-I187 PolarHBondContact O-N 3.18Å; I185-I187 PolarHBondContact O-N 2.92Å; I187-Q189 PolarHBondContact O-N 3.4Å; I187-V190 WeakPolarHBondContact O-CG1 3.45Å; I187-V190 PolarHBondContact O-N 3.15Å
188G89.8Confident91.3Very high48 Ų48100.6 Ų100.650%0.49560%0.596SS.*Hα-helixtrans-66.4-30.4176.400000114.5T184 I185 G186T184-G188 PolarHBondContact O-N 3.48Å; I185-G188 CarbonylContact O-C 3.53Å; I185-G188 WeakPolarHBondContact O-CA 3.48Å; I185-G188 PolarHBondContact O-N 3.03Å; I185-G188 VanDerWaalsContact O-N 3.11Å; G186-G188 VanDerWaalsContact C-N 3.31Å
189Q88.3Confident90.9Very high158 Ų15898.4 Ų98.474%0.73860%0.595SS**Hα-helixtrans-79.5-19178.4-73.5-170.132.400113.9I185 G186 I187I185-Q189 HydrophobicContact CG2-CG 4.37Å; I185-Q189 WeakPolarHBondContact O-CG 3.41Å; I185-Q189 PolarHBondContact O-N 3.43Å; G186-Q189 PolarHBondContact O-N 3.2Å; I187-Q189 PolarHBondContact O-N 3.4Å
190V86.5Confident90.5Very high124 Ų12499.6 Ų99.675%0.75260%0.602SS**  trans-87.4-10.3-179.6910000113.3G186 I187G186-V190 PolarHBondContact O-N 3.32Å; I187-V190 WeakPolarHBondContact O-CG1 3.45Å; I187-V190 PolarHBondContact O-N 3.15Å
191S67.8Low89.9Confident152 Ų152100.8 Ų100.8100%1.06361%0.609SS**  trans-102.50175-540000110.4

Retrieved 191 of 191 residues in 328.3 ms (Link to these results)

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