A0A087YK29_POEFO Loading...

Ectonucleotide pyrophosphatase/phosphodiesterase 7

AlphaFold DB , UniProt , Accession A0A087YK29, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 476 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
1V51.3Low48.7Very low168 Ų168116.3 Ų116.3100%1.01865%0.651SS**  0-50.50-171.90000112.2L3 R4 A5V1-L3 PolarHBondContact O-N 2.92Å; V1-R4 PolarHBondContact O-N 3.37Å; V1-A5 PolarHBondContact O-N 3.16Å
2M44Very low49.1Very low151 Ų151115.3 Ų115.374%0.74464%0.643SS**Hα-helixtrans-63.8-36-178.7-72.8-168.7-169.300116R4 A5 A6M2-R4 VanDerWaalsContact C-N 3.28Å; M2-R4 PolarHBondContact O-N 3.34Å; M2-A5 PolarHBondContact O-N 2.94Å; M2-A6 PolarHBondContact O-N 3.45Å
3L40.6Very low49.2Very low153 Ų153110.3 Ų110.380%0.80163%0.626SS**Hα-helixtrans-66.9-27176.6-110.287.9000113.6V1 S7V1-L3 PolarHBondContact O-N 2.92Å; L3-S7 PolarHBondContact O-N 2.99Å; L3-S7 PolarHBondContact O-OG 3.48Å
4R43.3Very low48.9Very low215 Ų215108.6 Ų108.681%0.81162%0.622SS**Hα-helixtrans-75.5-32.1176.5-72.9-171.8177.2-179.4-1.9111.9V1 M2 L8V1-R4 PolarHBondContact O-N 3.37Å; M2-R4 VanDerWaalsContact C-N 3.28Å; M2-R4 PolarHBondContact O-N 3.34Å; R4-L8 PolarHBondContact O-N 3.03Å
5A47.3Very low48.7Very low57 Ų57110 Ų11047%0.47163%0.626SS.*Hα-helixtrans-71.7-39.3176.900000112.4V1 M2 L8 C9V1-A5 PolarHBondContact O-N 3.16Å; M2-A5 PolarHBondContact O-N 2.94Å; A5-L8 PolarHBondContact O-N 3.19Å; A5-C9 PolarHBondContact O-N 3.38Å; A5-C9 VanDerWaalsContact O-N 3.14Å; A5-C9 PolarHBondContact O-SG 3.42Å; A5-C9 VanDerWaalsContact O-SG 3.41Å
6A48.2Very low48.7Very low61 Ų61109.9 Ų109.950%0.50463%0.628SS.*Hα-helixtrans-67-38.1177.100000112.7M2 L8 C9 V10M2-A6 PolarHBondContact O-N 3.45Å; A6-L8 VanDerWaalsContact C-N 3.34Å; A6-C9 PolarHBondContact O-N 3.13Å; A6-V10 WeakPolarHBondContact O-CG2 3.31Å; A6-V10 PolarHBondContact O-N 3.42Å
7S49.8Very low48.6Very low70 Ų70112.5 Ų112.549%0.4964%0.639SS.*Hα-helixtrans-67.7-35176.4-54.70000112L3 V10 L11L3-S7 PolarHBondContact O-N 2.99Å; L3-S7 PolarHBondContact O-OG 3.48Å; S7-V10 PolarHBondContact O-N 3.17Å; S7-L11 WeakPolarHBondContact O-CB 3.41Å; S7-L11 PolarHBondContact O-N 3.03Å; S7-L11 VanDerWaalsContact O-N 3.08Å
8L51.2Low48.3Very low111 Ų111109.3 Ų109.358%0.58163%0.634SS**Hα-helixtrans-68.3-38.2176.4-153.876.5000111.9R4 A5 A6 L11 L12R4-L8 PolarHBondContact O-N 3.03Å; A5-L8 PolarHBondContact O-N 3.19Å; A6-L8 VanDerWaalsContact C-N 3.34Å; L8-L11 PolarHBondContact O-N 2.71Å; L8-L12 HydrophobicContact CG-CD1 4.11Å; L8-L12 WeakPolarHBondContact O-CD1 3.34Å; L8-L12 PolarHBondContact O-N 3.45Å
9C53.7Low48Very low88 Ų88109.4 Ų109.460%0.59564%0.636SS**Hα-helixtrans-69-34.3176.4-68.30000113.2A5 A6 A13A5-C9 PolarHBondContact O-N 3.38Å; A5-C9 VanDerWaalsContact O-N 3.14Å; A5-C9 PolarHBondContact O-SG 3.42Å; A5-C9 VanDerWaalsContact O-SG 3.41Å; A6-C9 PolarHBondContact O-N 3.13Å; C9-A13 WeakPolarHBondContact O-CB 3.37Å; C9-A13 PolarHBondContact O-N 2.89Å
10V55.1Low47.8Very low94 Ų94109.2 Ų109.257%0.5764%0.639SS**Hα-helixtrans-71.2-39174.6175.50000111A6 S7 A13 C14A6-V10 WeakPolarHBondContact O-CG2 3.31Å; A6-V10 PolarHBondContact O-N 3.42Å; S7-V10 PolarHBondContact O-N 3.17Å; V10-A13 PolarHBondContact O-N 3.06Å; V10-C14 PolarHBondContact O-N 3.43Å; V10-C14 PolarHBondContact O-SG 3.13Å; V10-C14 VanDerWaalsContact O-SG 3.39Å
11L51.3Low47.6Very low111 Ų111110.9 Ų110.958%0.58165%0.65SS**Hα-helixtrans-63.2-41.6172.5-92.6149.8000112.5S7 L8 C14 L15S7-L11 WeakPolarHBondContact O-CB 3.41Å; S7-L11 PolarHBondContact O-N 3.03Å; S7-L11 VanDerWaalsContact O-N 3.08Å; L8-L11 PolarHBondContact O-N 2.71Å; L11-C14 PolarHBondContact O-N 2.93Å; L11-L15 WeakPolarHBondContact O-CD1 3.36Å; L11-L15 PolarHBondContact O-N 3Å; L11-L15 VanDerWaalsContact O-N 3.13Å
12L53.1Low47.5Very low104 Ų104106.8 Ų106.855%0.54563%0.634SS.*Hα-helixtrans-67.5-36.4173-94.7100.7000112.7L8 L15 V16L8-L12 HydrophobicContact CG-CD1 4.11Å; L8-L12 WeakPolarHBondContact O-CD1 3.34Å; L8-L12 PolarHBondContact O-N 3.45Å; L12-L15 WeakPolarHBondContact O-CB 3.43Å; L12-L15 PolarHBondContact O-N 3.42Å; L12-V16 WeakPolarHBondContact O-CG2 3.29Å; L12-V16 PolarHBondContact O-N 2.91Å; L12-V16 VanDerWaalsContact O-N 3.14Å
13A50.5Low48.2Very low51 Ų51107.9 Ų107.942%0.42164%0.635SS.*Hα-helixtrans-68-35.1176.900000112.4C9 V10 L15 V16 L17C9-A13 WeakPolarHBondContact O-CB 3.37Å; C9-A13 PolarHBondContact O-N 2.89Å; V10-A13 PolarHBondContact O-N 3.06Å; A13-L15 VanDerWaalsContact C-N 3.33Å; A13-V16 PolarHBondContact O-N 2.63Å; A13-L17 PolarHBondContact O-N 3.33Å
14C45.8Very low49.7Very low86 Ų86105.8 Ų105.858%0.58162%0.621SS**Hα-helixtrans-69.3-29.1171.5-70.60000112.9V10 L11V10-C14 PolarHBondContact O-N 3.43Å; V10-C14 PolarHBondContact O-SG 3.13Å; V10-C14 VanDerWaalsContact O-SG 3.39Å; L11-C14 PolarHBondContact O-N 2.93Å
15L45.2Very low51.7Low130 Ų13099.9 Ų99.968%0.68160%0.601SS**Hα-helixtrans-72.4-28.6173.9-85.2154.9000113.1L11 L12 A13L11-L15 WeakPolarHBondContact O-CD1 3.36Å; L11-L15 PolarHBondContact O-N 3Å; L11-L15 VanDerWaalsContact O-N 3.13Å; L12-L15 WeakPolarHBondContact O-CB 3.43Å; L12-L15 PolarHBondContact O-N 3.42Å; A13-L15 VanDerWaalsContact C-N 3.33Å
16V48.9Very low54.1Low108 Ų10899 Ų9966%0.65559%0.587SS**Hα-helixtrans-83.4-24.9178.7177.30000112.6L12 A13 G18L12-V16 WeakPolarHBondContact O-CG2 3.29Å; L12-V16 PolarHBondContact O-N 2.91Å; L12-V16 VanDerWaalsContact O-N 3.14Å; A13-V16 PolarHBondContact O-N 2.63Å; V16-G18 VanDerWaalsContact C-N 3.34Å
17L47.8Very low56.5Low155 Ų15596.2 Ų96.281%0.81256%0.564SS**THydrogen-bonded Turntrans-86.8-3.7177.7-69.6169.6000114A13A13-L17 PolarHBondContact O-N 3.33Å
18G42.3Very low58.8Low54 Ų5492.9 Ų92.956%0.55754%0.54SS*.THydrogen-bonded Turntrans-106.122.8178.900000114V16 P20V16-G18 VanDerWaalsContact C-N 3.34Å; G18-P20 WeakPolarHBondContact O-CD 3.4Å; G18-P20 VanDerWaalsContact O-N 3.13Å
19V41.9Very low61.1Low111 Ų11187.6 Ų87.667%0.67351%0.513SS*.  trans-65.9111.6168.5-176.50000106.1V21V19-V21 PolarHBondContact O-N 2.92Å; V19-V21 VanDerWaalsContact O-N 3.15Å
20P44.2Very low63.2Low106 Ų10683.4 Ų83.469%0.68848%0.484SS*.  trans-56.5128.6172.124.8-30.7000106.1G18 A22G18-P20 WeakPolarHBondContact O-CD 3.4Å; G18-P20 VanDerWaalsContact O-N 3.13Å; P20-A22 VanDerWaalsContact C-N 3.33Å; P20-A22 PolarHBondContact O-N 3.46Å
21V44.5Very low65.3Low144 Ų14478.9 Ų78.987%0.87346%0.457SS*.  trans-51110.1163.7173.80000104.5V19 K23V19-V21 PolarHBondContact O-N 2.92Å; V19-V21 VanDerWaalsContact O-N 3.15Å; V21-K23 PolarHBondContact O-N 3.34Å
22A48.8Very low67.6Low83 Ų8373.6 Ų73.669%0.68643%0.429SS*.PPolyproline II helixtrans-55.3119-179.300000105.8P20 E24P20-A22 VanDerWaalsContact C-N 3.33Å; P20-A22 PolarHBondContact O-N 3.46Å; A22-E24 PolarHBondContact O-N 3.4Å
23K58.6Low69.8Low174 Ų17468.7 Ų68.776%0.75740%0.403SS*.PPolyproline II helixtrans-54119.3175.2-172.7-178.9-179.9-169.80105.8V21 K25V21-K23 PolarHBondContact O-N 3.34Å; K23-K25 PolarHBondContact O-N 2.94Å; K23-K25 VanDerWaalsContact O-N 3.11Å
24E72.1Confident72.1Confident109 Ų10966.3 Ų66.351%0.50938%0.384SS..PPolyproline II helixtrans-53123.8-178.2-82.2-175.4174.500108.6A22 Q26A22-E24 PolarHBondContact O-N 3.4Å; E24-Q26 PolarHBondContact O-N 2.96Å; E24-Q26 PolarHBondContact O-NE2 2.93Å
25K86.7Confident74.6Confident91 Ų9162.2 Ų62.240%0.39636%0.356SS..PPolyproline II helixtrans-60118.3-175.8-171.9-176.5-174.1-1660108.5K23 D184K23-K25 PolarHBondContact O-N 2.94Å; K23-K25 VanDerWaalsContact O-N 3.11Å; K25-D184 WeakPolarHBondContact CD-OD1 3.4Å; K25-D184 WeakPolarHBondContact CE-OD1 3.49Å; K25-D184 WeakPolarHBondContact CE-OD2 3.42Å; K25-D184 IonicContact NZ-OD1 3.54Å; K25-D184 PolarHBondContact NZ-OD1 2.94Å; K25-D184 IonicContact NZ-OD2 3.65Å; K25-D184 PolarHBondContact NZ-OD2 3.41Å
26Q95.8Very high77.1Confident37 Ų3756 Ų5617%0.17332%0.324CS..PPolyproline II helixtrans-76.7139.8-180-60.9-62.5-63.900109.7E24 N235 I390E24-Q26 PolarHBondContact O-N 2.96Å; E24-Q26 PolarHBondContact O-NE2 2.93Å; Q26-N235 PolarHBondContact OE1-ND2 2.96Å; Q26-I390 HydrophobicContact CB-CG2 4.08Å; Q26-I390 WeakPolarHBondContact CB-O 3.47Å
27K98.5Very high79.5Confident3 Ų351.3 Ų51.31%0.01329%0.294CS..EExtended strand (participates in β ladder)trans-115.1152.4176.9-57.8-176.1177.3-74.10109.1F178 D182 L183 D184 Q233 L234 N235K27-F178 HydrophobicContact CB-CD1 4.28Å; K27-F178 HydrophobicContact CB-CE1 4.12Å; K27-F178 HydrophobicContact CD-CD1 3.95Å; K27-D182 IonicContact NZ-OD1 2.78Å; K27-D182 PolarHBondContact NZ-OD1 3.48Å; K27-L183 WeakPolarHBondContact CD-O 3.27Å; K27-L183 WeakPolarHBondContact CE-O 3.48Å; K27-L183 PolarHBondContact NZ-O 3.43Å; K27-D184 CarbonylContact C-O 3.32Å; K27-D184 WeakPolarHBondContact CA-O 3.2Å; K27-D184 WeakPolarHBondContact CB-O 3.41Å; K27-D184 IonicContact NZ-OD1 3.03Å; K27-D184 PolarHBondContact NZ-OD1 2.88Å; K27-Q233 HydrophobicContact CD-CG 4.3Å; K27-Q233 PolarHBondContact N-O 3.31Å; K27-L234 HydrophobicContact CB-CD1 3.83Å; K27-N235 WeakPolarHBondContact O-CB 3.43Å; K27-N235 PolarHBondContact O-N 2.66Å; K27-N235 PolarHBondContact O-ND2 3.24Å
28V98.9Very high82Confident0 Ų046 Ų460%026%0.264CS..EExtended strand (participates in β ladder)trans-127.3127.5-179.5174.60000110.1F178 D184 F185 V186 N235 I237 M387 I390 L391V28-F178 WeakPolarHBondContact O-CZ 3.32Å; V28-D184 PolarHBondContact N-O 3.5Å; V28-F185 HydrophobicContact CB-CD2 4.05Å; V28-F185 HydrophobicContact CG1-CD2 3.96Å; V28-F185 HydrophobicContact CG1-CE2 4.11Å; V28-F185 CarbonylContact O-C 3.19Å; V28-F185 VanDerWaalsContact O-CA 3.3Å; V28-F185 WeakPolarHBondContact O-CA 3.49Å; V28-V186 PolarHBondContact O-N 3.04Å; V28-N235 CarbonylContact C-O 3.56Å; V28-N235 WeakPolarHBondContact CA-O 3.37Å; V28-I237 HydrophobicContact CG1-CD1 4.36Å; V28-M387 HydrophobicContact CG1-CB 4.45Å; V28-M387 HydrophobicContact CG1-CG 4.05Å; V28-M387 HydrophobicContact CG1-SD 4.19Å; V28-I390 HydrophobicContact CG2-CB 3.89Å; V28-I390 HydrophobicContact CG2-CG2 3.49Å; V28-I390 VanDerWaalsContact CG2-CG2 3.49Å; V28-L391 HydrophobicContact CB-CD2 4.07Å; V28-L391 HydrophobicContact CB-CG 4.25Å; V28-L391 HydrophobicContact CG2-CD1 4.49Å; V28-L391 HydrophobicContact CG2-CD2 3.83Å; V28-L391 HydrophobicContact CG2-CG 3.77Å
29L98.9Very high84.6Confident0 Ų045.2 Ų45.20%025%0.246CC..EExtended strand (participates in β ladder)trans-111.8111.2167.3172.254000108.3I31 V174 M175 F178 V186 L188 I221 L234 N235 I236 I237L29-I31 HydrophobicContact CD1-CD1 4.45Å; L29-I31 HydrophobicContact CD1-CG1 3.92Å; L29-I31 HydrophobicContact CD2-CD1 3.85Å; L29-I31 HydrophobicContact CD2-CG1 4.24Å; L29-I31 HydrophobicContact CG-CD1 3.85Å; L29-I31 HydrophobicContact CG-CG1 3.78Å; L29-V174 HydrophobicContact CD1-CG1 3.89Å; L29-V174 HydrophobicContact CD2-CG1 4.35Å; L29-M175 HydrophobicContact CD2-CE 3.79Å; L29-F178 HydrophobicContact CB-CE2 3.87Å; L29-F178 HydrophobicContact CB-CZ 3.88Å; L29-F178 HydrophobicContact CD1-CE2 4.16Å; L29-F178 HydrophobicContact CD2-CE2 4.26Å; L29-F178 HydrophobicContact CG-CE2 4.31Å; L29-V186 WeakPolarHBondContact CA-O 3.35Å; L29-V186 HydrophobicContact CD1-CB 4.16Å; L29-V186 HydrophobicContact CD1-CG1 4.33Å; L29-V186 WeakPolarHBondContact CD1-O 3.44Å; L29-L188 HydrophobicContact CD1-CB 4.07Å; L29-I221 HydrophobicContact CD2-CG2 4.41Å; L29-L234 HydrophobicContact CB-CD1 3.96Å; L29-L234 HydrophobicContact CB-CD2 4.5Å; L29-L234 HydrophobicContact CB-CG 4.46Å; L29-L234 HydrophobicContact CD2-CD2 4.47Å; L29-N235 PolarHBondContact N-O 2.83Å; L29-I236 HydrophobicContact CB-CG1 4.38Å; L29-I236 HydrophobicContact CD2-CG1 4.4Å; L29-I236 HydrophobicContact CD2-CG2 4.43Å; L29-I236 HydrophobicContact CG-CG2 4.43Å; L29-I236 WeakPolarHBondContact O-CA 3.5Å; L29-I237 PolarHBondContact O-N 3.15Å
30L98.9Very high87.3Confident0 Ų040 Ų400%021%0.214CC..EExtended strand (participates in β ladder)trans-91.7125.1170.3175.265.5000108.8L77 L78 F137 F185 V186 S187 L188 I237 T239 M387L30-L77 HydrophobicContact CD2-CB 4.47Å; L30-L78 HydrophobicContact CD2-CD2 4.15Å; L30-F137 HydrophobicContact CD2-CE2 4.1Å; L30-F137 HydrophobicContact CD2-CZ 3.74Å; L30-F137 HydrophobicContact CG-CE2 4.25Å; L30-F137 HydrophobicContact CG-CZ 4.31Å; L30-F185 HydrophobicContact CB-CE2 4.12Å; L30-F185 HydrophobicContact CB-CZ 4.2Å; L30-F185 HydrophobicContact CD2-CZ 4.49Å; L30-V186 PolarHBondContact N-O 3.28Å; L30-S187 CarbonylContact O-C 3.58Å; L30-S187 WeakPolarHBondContact O-CA 3.38Å; L30-L188 PolarHBondContact O-N 3.47Å; L30-I237 CarbonylContact C-O 3.44Å; L30-I237 HydrophobicContact CD1-CB 4.29Å; L30-I237 HydrophobicContact CD1-CG2 3.94Å; L30-T239 HydrophobicContact CD1-CG2 4.2Å; L30-M387 HydrophobicContact CB-SD 4Å; L30-M387 HydrophobicContact CD1-SD 4.22Å; L30-M387 HydrophobicContact CD2-CE 4.1Å; L30-M387 HydrophobicContact CD2-SD 3.96Å; L30-M387 HydrophobicContact CG-SD 4.28Å
31I98.9Very high89.9Confident0 Ų035.5 Ų35.50%019%0.185CC..EExtended strand (participates in β ladder)trans-121130.7177.1-60.1159.5000108.9L29 F33 L188 F190 I221 I236 I237 M238 T239L29-I31 HydrophobicContact CD1-CD1 4.45Å; L29-I31 HydrophobicContact CD1-CG1 3.92Å; L29-I31 HydrophobicContact CD2-CD1 3.85Å; L29-I31 HydrophobicContact CD2-CG1 4.24Å; L29-I31 HydrophobicContact CG-CD1 3.85Å; L29-I31 HydrophobicContact CG-CG1 3.78Å; I31-F33 HydrophobicContact CG2-CD2 3.98Å; I31-F33 HydrophobicContact CG2-CE2 3.59Å; I31-F33 HydrophobicContact CG2-CZ 4.06Å; I31-L188 CarbonylContact C-O 3.57Å; I31-L188 VanDerWaalsContact CA-O 3.27Å; I31-L188 WeakPolarHBondContact CA-O 3.31Å; I31-L188 HydrophobicContact CG1-CB 4.19Å; I31-L188 HydrophobicContact CG1-CD2 4.26Å; I31-F190 HydrophobicContact CG2-CD2 3.87Å; I31-F190 HydrophobicContact CG2-CE2 3.8Å; I31-I221 HydrophobicContact CD1-CD1 4.08Å; I31-I221 HydrophobicContact CD1-CG2 3.81Å; I31-I236 HydrophobicContact CD1-CG2 3.66Å; I31-I237 PolarHBondContact N-O 3.19Å; I31-M238 HydrophobicContact CB-CG 4.12Å; I31-M238 HydrophobicContact CD1-CE 3.78Å; I31-M238 HydrophobicContact CD1-CG 3.99Å; I31-M238 WeakPolarHBondContact O-CA 3.48Å; I31-T239 PolarHBondContact O-N 3.43Å
32S98.9Very high92.5Very high0 Ų036 Ų360%017%0.171CC..EExtended strand (participates in β ladder)trans-114127.2170.2-166.40000110.6H74 L188 F190 T239S32-H74 VanDerWaalsContact CB-NE2 3.25Å; S32-H74 WeakPolarHBondContact CB-NE2 3.35Å; S32-H74 PolarHBondContact OG-NE2 2.95Å; S32-L188 PolarHBondContact N-O 3.1Å; S32-F190 PolarHBondContact O-N 3.22Å; S32-T239 VanDerWaalsContact CA-O 3.3Å; S32-T239 WeakPolarHBondContact CA-O 3.49Å
33F98.9Very high94.8Very high0 Ų035 Ų350%015%0.154CC..EExtended strand (participates in β ladder)trans-105.399.8166.1-69.7-81.8000107.7I31 G35 F36 F190 E192 V214 A217 V218 I221 M238 T239 A240 F361I31-F33 HydrophobicContact CG2-CD2 3.98Å; I31-F33 HydrophobicContact CG2-CE2 3.59Å; I31-F33 HydrophobicContact CG2-CZ 4.06Å; F33-G35 PolarHBondContact O-N 2.75Å; F33-F36 HydrophobicContact CB-CB 4.24Å; F33-F36 HydrophobicContact CB-CD2 4.26Å; F33-F36 WeakPolarHBondContact O-CB 3.46Å; F33-F36 PolarHBondContact O-N 2.96Å; F33-F190 HydrophobicContact CD1-CB 3.63Å; F33-F190 AromaticContact CD1-CD2 3.73Å; F33-F190 HydrophobicContact CD1-CD2 3.73Å; F33-F190 AromaticContact CD1-CG 3.87Å; F33-F190 HydrophobicContact CD1-CG 3.87Å; F33-F190 HydrophobicContact CE1-CB 3.97Å; F33-F190 HydrophobicContact CE1-CD1 4.45Å; F33-F190 AromaticContact CE1-CD2 3.35Å; F33-F190 HydrophobicContact CE1-CD2 3.35Å; F33-F190 AromaticContact CE1-CE2 3.88Å; F33-F190 HydrophobicContact CE1-CE2 3.88Å; F33-F190 AromaticContact CE1-CG 3.68Å; F33-F190 HydrophobicContact CE1-CG 3.68Å; F33-F190 HydrophobicContact CE2-CD2 4.45Å; F33-F190 HydrophobicContact CG-CB 4.48Å; F33-F190 HydrophobicContact CG-CD2 4.41Å; F33-F190 AromaticContact CZ-CD2 3.77Å; F33-F190 HydrophobicContact CZ-CD2 3.77Å; F33-F190 AromaticContact CZ-CE2 3.93Å; F33-F190 HydrophobicContact CZ-CE2 3.93Å; F33-E192 CarbonylContact C-O 3.42Å; F33-E192 WeakPolarHBondContact CB-O 3.48Å; F33-V214 HydrophobicContact CD1-CB 4.39Å; F33-V214 HydrophobicContact CD1-CG1 3.67Å; F33-V214 HydrophobicContact CD1-CG2 3.92Å; F33-V214 HydrophobicContact CD2-CG1 4.1Å; F33-V214 HydrophobicContact CE1-CB 4.44Å; F33-V214 HydrophobicContact CE1-CG1 3.75Å; F33-V214 HydrophobicContact CE1-CG2 4.29Å; F33-V214 HydrophobicContact CE2-CG1 4.15Å; F33-V214 HydrophobicContact CG-CG1 3.86Å; F33-V214 HydrophobicContact CZ-CG1 3.99Å; F33-A217 HydrophobicContact CE1-CB 4.46Å; F33-A217 HydrophobicContact CZ-CB 4.46Å; F33-V218 HydrophobicContact CE2-CG2 4.19Å; F33-V218 HydrophobicContact CZ-CG2 4.35Å; F33-I221 HydrophobicContact CZ-CD1 4.23Å; F33-M238 HydrophobicContact CE2-SD 4.42Å; F33-T239 PolarHBondContact N-O 2.86Å; F33-A240 WeakPolarHBondContact O-CB 3.18Å; F33-F361 HydrophobicContact CB-CE1 4.45Å; F33-F361 HydrophobicContact CD2-CZ 4.13Å
34D98.9Very high96.7Very high1 Ų127.5 Ų27.51%0.00512%0.123CC..THydrogen-bonded Turntrans-51.5135-171.9-159.3-44.3000112.1F36 T70 H74 Y189 F190 E192 P193 D194 D241 H242D34-F36 PolarHBondContact O-N 3.46Å; D34-T70 WeakPolarHBondContact OD2-CG2 3.31Å; D34-H74 IonicContact OD2-CE1 2.71Å; D34-Y189 HydrophobicContact CB-CE2 3.72Å; D34-Y189 WeakPolarHBondContact OD2-CE2 3.4Å; D34-Y189 PolarHBondContact OD2-OH 2.94Å; D34-F190 WeakPolarHBondContact CB-O 3.44Å; D34-F190 PolarHBondContact N-O 3.39Å; D34-E192 CarbonylContact O-C 3.59Å; D34-P193 WeakPolarHBondContact O-CD 3.47Å; D34-P193 VanDerWaalsContact O-N 3.12Å; D34-D194 HydrophobicContact CB-CB 3.75Å; D34-D194 WeakPolarHBondContact O-CB 3.44Å; D34-D194 PolarHBondContact O-N 2.86Å; D34-D194 VanDerWaalsContact OD1-CB 3.27Å; D34-D194 WeakPolarHBondContact OD1-CB 3.32Å; D34-D241 WeakPolarHBondContact CA-OD1 3.48Å; D34-H242 IonicContact OD1-CE1 3.68Å; D34-H242 PolarHBondContact OD1-CE1 3.44Å; D34-H242 VanDerWaalsContact OD1-CE1 3.28Å; D34-H242 IonicContact OD1-NE2 3.25Å
35G98.7Very high97.9Very high0 Ų028.3 Ų28.30%013%0.131CC..THydrogen-bonded Turntrans66.516.5174.500000115.1F33 R37 Y40 D241 H242F33-G35 PolarHBondContact O-N 2.75Å; G35-R37 PolarHBondContact O-N 3.34Å; G35-Y40 WeakPolarHBondContact O-CE2 3.32Å; G35-D241 PolarHBondContact N-OD1 3.39Å; G35-H242 CarbonylContact C-O 3.56Å; G35-H242 VanDerWaalsContact C-O 3.32Å; G35-H242 VanDerWaalsContact CA-O 3.31Å; G35-H242 WeakPolarHBondContact CA-O 3.49Å
36F98.9Very high98.5Very high1 Ų124 Ų240%0.00411%0.112CC..  trans-76.395.2176.4-160.1-59.7000111F33 D34 Y40 L49 P193 V211 V214 A240 H242 P360 F361F33-F36 HydrophobicContact CB-CB 4.24Å; F33-F36 HydrophobicContact CB-CD2 4.26Å; F33-F36 WeakPolarHBondContact O-CB 3.46Å; F33-F36 PolarHBondContact O-N 2.96Å; D34-F36 PolarHBondContact O-N 3.46Å; F36-Y40 HydrophobicContact CD1-CD2 4.24Å; F36-Y40 HydrophobicContact CG-CD2 4.37Å; F36-L49 HydrophobicContact CE2-CD1 4.48Å; F36-L49 HydrophobicContact CZ-CD1 3.98Å; F36-P193 HydrophobicContact CB-CG 4.09Å; F36-P193 HydrophobicContact CD2-CG 4Å; F36-P193 HydrophobicContact CG-CG 4.25Å; F36-V211 HydrophobicContact CE2-CG1 4.15Å; F36-V211 HydrophobicContact CE2-CG2 4.34Å; F36-V211 HydrophobicContact CZ-CG1 3.95Å; F36-V214 HydrophobicContact CD2-CG1 3.96Å; F36-V214 HydrophobicContact CE2-CB 4.15Å; F36-V214 HydrophobicContact CE2-CG1 3.62Å; F36-A240 HydrophobicContact CB-CB 3.77Å; F36-H242 PolarHBondContact N-O 3.37Å; F36-P360 WeakPolarHBondContact O-CA 3.45Å; F36-F361 HydrophobicContact CB-CD1 3.63Å; F36-F361 HydrophobicContact CB-CE1 3.62Å; F36-F361 HydrophobicContact CD1-CB 4.17Å; F36-F361 AromaticContact CD1-CD1 3.38Å; F36-F361 HydrophobicContact CD1-CD1 3.38Å; F36-F361 AromaticContact CD1-CE1 3.91Å; F36-F361 HydrophobicContact CD1-CE1 3.91Å; F36-F361 AromaticContact CD1-CG 3.84Å; F36-F361 HydrophobicContact CD1-CG 3.84Å; F36-F361 HydrophobicContact CD2-CD1 4.48Å; F36-F361 HydrophobicContact CD2-CE1 4.18Å; F36-F361 HydrophobicContact CE1-CB 4.49Å; F36-F361 HydrophobicContact CE1-CD1 4.17Å; F36-F361 HydrophobicContact CE1-CG 4.23Å; F36-F361 AromaticContact CG-CD1 3.58Å; F36-F361 HydrophobicContact CG-CD1 3.58Å; F36-F361 AromaticContact CG-CE1 3.64Å; F36-F361 HydrophobicContact CG-CE1 3.64Å; F36-F361 HydrophobicContact CG-CG 4.43Å; F36-F361 PolarHBondContact O-N 3.25Å
37R98.9Very high98.6Very high9 Ų925.4 Ų25.43%0.03413%0.125CC..BIsolated β-bridgetrans-62144.6177.2-160.1167.980.8-178.21.8112.1G35 D39 Y40 D203 M244 D357G35-R37 PolarHBondContact O-N 3.34Å; R37-D39 WeakPolarHBondContact CG-OD1 3.35Å; R37-D39 IonicContact CZ-OD1 3.58Å; R37-D39 IonicContact NE-OD1 2.91Å; R37-D39 PolarHBondContact NE-OD1 3.44Å; R37-D39 IonicContact NE-OD2 3.64Å; R37-D39 IonicContact NH2-OD1 3.13Å; R37-D39 IonicContact NH2-OD2 3.69Å; R37-D39 PolarHBondContact NH2-OD2 3.49Å; R37-D39 PolarHBondContact O-N 3.49Å; R37-Y40 HydrophobicContact CB-CD1 3.67Å; R37-Y40 HydrophobicContact CB-CD2 4.03Å; R37-Y40 HydrophobicContact CB-CE1 3.6Å; R37-Y40 HydrophobicContact CB-CE2 3.94Å; R37-Y40 HydrophobicContact CB-CG 3.91Å; R37-Y40 HydrophobicContact CG-CE1 4.45Å; R37-Y40 WeakPolarHBondContact O-CB 3.19Å; R37-Y40 PolarHBondContact O-N 3.43Å; R37-Y40 VanDerWaalsContact O-N 3.08Å; R37-D203 IonicContact NH2-OD1 3.09Å; R37-D203 PolarHBondContact NH2-OD1 3.06Å; R37-M244 WeakPolarHBondContact CD-O 3.25Å; R37-M244 PolarHBondContact NH1-O 2.95Å; R37-D357 WeakPolarHBondContact CD-O 3.31Å; R37-D357 WeakPolarHBondContact CG-O 3.28Å; R37-D357 IonicContact CZ-OD1 3.34Å; R37-D357 IonicContact NH1-OD1 3.58Å; R37-D357 IonicContact NH1-OD2 3.84Å
38W98.8Very high98.7Very high44 Ų4427.6 Ų27.617%0.16714%0.136CC..THydrogen-bonded Turntrans-53.8-22.8-172.872.4-74.4000115.8Y61 M356 K359W38-Y61 HydrophobicContact CE3-CD1 4.17Å; W38-Y61 HydrophobicContact CZ3-CD1 4.47Å; W38-M356 HydrophobicContact CD2-CE 3.91Å; W38-M356 VanDerWaalsContact CE2-CE 3.45Å; W38-M356 HydrophobicContact CE3-CE 4.3Å; W38-M356 HydrophobicContact CG-CE 4.49Å; W38-M356 HydrophobicContact CH2-CE 3.92Å; W38-M356 HydrophobicContact CZ2-CE 3.53Å; W38-M356 HydrophobicContact CZ3-CE 4.24Å; W38-M356 PolarHBondContact NE1-O 3.35Å; W38-M356 VanDerWaalsContact NE1-O 3.13Å; W38-K359 HydrophobicContact CB-CB 4.11Å; W38-K359 WeakPolarHBondContact CB-O 3.46Å; W38-K359 HydrophobicContact CG-CB 4.07Å; W38-K359 PolarHBondContact N-O 3.09Å
39D98.7Very high98.7Very high36 Ų3627.6 Ų27.619%0.19314%0.136CC..THydrogen-bonded Turntrans-110.41.4-17566.8-17.1000114.2R37 D41 R42R37-D39 WeakPolarHBondContact CG-OD1 3.35Å; R37-D39 IonicContact CZ-OD1 3.58Å; R37-D39 IonicContact NE-OD1 2.91Å; R37-D39 PolarHBondContact NE-OD1 3.44Å; R37-D39 IonicContact NE-OD2 3.64Å; R37-D39 IonicContact NH2-OD1 3.13Å; R37-D39 IonicContact NH2-OD2 3.69Å; R37-D39 PolarHBondContact NH2-OD2 3.49Å; R37-D39 PolarHBondContact O-N 3.49Å; D39-D41 PolarHBondContact O-N 3.32Å; D39-D41 VanDerWaalsContact O-N 3.12Å; D39-R42 HydrophobicContact CB-CG 4.33Å; D39-R42 VanDerWaalsContact O-CB 3.28Å; D39-R42 WeakPolarHBondContact O-CB 3.37Å; D39-R42 WeakPolarHBondContact O-CG 3.2Å; D39-R42 PolarHBondContact O-N 2.94Å
40Y98.8Very high98.7Very high1 Ų131.1 Ų31.10%0.00416%0.155CC..THydrogen-bonded Turntrans-62.3-20.1-178.6-83.6-0.1000114.1G35 F36 R37 R42 V44 P193 P202 R207 V211 M244G35-Y40 WeakPolarHBondContact O-CE2 3.32Å; F36-Y40 HydrophobicContact CD1-CD2 4.24Å; F36-Y40 HydrophobicContact CG-CD2 4.37Å; R37-Y40 HydrophobicContact CB-CD1 3.67Å; R37-Y40 HydrophobicContact CB-CD2 4.03Å; R37-Y40 HydrophobicContact CB-CE1 3.6Å; R37-Y40 HydrophobicContact CB-CE2 3.94Å; R37-Y40 HydrophobicContact CB-CG 3.91Å; R37-Y40 HydrophobicContact CG-CE1 4.45Å; R37-Y40 WeakPolarHBondContact O-CB 3.19Å; R37-Y40 PolarHBondContact O-N 3.43Å; R37-Y40 VanDerWaalsContact O-N 3.08Å; Y40-R42 VanDerWaalsContact C-N 3.32Å; Y40-V44 WeakPolarHBondContact O-CG2 3.46Å; Y40-P193 HydrophobicContact CD2-CG 3.86Å; Y40-P193 HydrophobicContact CE2-CB 4.42Å; Y40-P193 HydrophobicContact CE2-CG 3.78Å; Y40-P202 HydrophobicContact CE1-CB 4.09Å; Y40-P202 WeakPolarHBondContact OH-CA 3.48Å; Y40-P202 WeakPolarHBondContact OH-CB 3.42Å; Y40-R207 VanDerWaalsContact CD1-CZ 3.45Å; Y40-R207 HydrophobicContact CD2-CG 4.49Å; Y40-R207 HydrophobicContact CE1-CG 4.38Å; Y40-R207 HydrophobicContact CE2-CG 3.96Å; Y40-R207 PolarHBondContact O-NH1 2.91Å; Y40-V211 HydrophobicContact CD2-CG2 4.03Å; Y40-V211 HydrophobicContact CG-CG2 4.25Å; Y40-M244 WeakPolarHBondContact OH-CB 3.38Å
41D98.2Very high98.6Very high13 Ų1334.9 Ų34.97%0.0717%0.173CC..THydrogen-bonded Turntrans-83.1-5174.370.4-30.1000113.5D39 T46 L49 K58 R363D39-D41 PolarHBondContact O-N 3.32Å; D39-D41 VanDerWaalsContact O-N 3.12Å; D41-T46 HydrophobicContact CB-CG2 4.25Å; D41-T46 PolarHBondContact O-OG1 2.97Å; D41-L49 HydrophobicContact CB-CD1 4.38Å; D41-K58 IonicContact OD2-NZ 3.49Å; D41-K58 PolarHBondContact OD2-NZ 3.3Å; D41-R363 IonicContact OD2-CZ 2.82Å; D41-R363 IonicContact OD2-NH1 2.71Å; D41-R363 IonicContact OD2-NH2 3.6Å; D41-R363 PolarHBondContact OD2-NH2 2.96Å
42R97.9Very high98.6Very high153 Ų15334.9 Ų34.958%0.57717%0.173SC*.THydrogen-bonded Turntrans-89.4-26.8-175.4-58.4-176.1-178-156.4-13.2114.1D39 Y40D39-R42 HydrophobicContact CB-CG 4.33Å; D39-R42 VanDerWaalsContact O-CB 3.28Å; D39-R42 WeakPolarHBondContact O-CB 3.37Å; D39-R42 WeakPolarHBondContact O-CG 3.2Å; D39-R42 PolarHBondContact O-N 2.94Å; Y40-R42 VanDerWaalsContact C-N 3.32Å
43D97.2Very high98.6Very high63 Ų6335.8 Ų35.834%0.33718%0.18SC..SBendtrans-109.414179.774.4-31.1000113.1R207 R208D43-R207 IonicContact OD1-CZ 3.41Å; D43-R207 IonicContact OD1-NH1 3.55Å; D43-R207 PolarHBondContact OD1-NH1 3.38Å; D43-R207 IonicContact OD1-NH2 3.15Å; D43-R207 PolarHBondContact OD1-NH2 3.29Å; D43-R207 IonicContact OD2-CZ 3.95Å; D43-R207 IonicContact OD2-NH1 3.87Å; D43-R207 IonicContact OD2-NH2 2.82Å; D43-R207 PolarHBondContact OD2-NH2 3.3Å; D43-R208 IonicContact OD2-CZ 3.97Å; D43-R208 IonicContact OD2-NE 2.94Å; D43-R208 PolarHBondContact OD2-NE 3.3Å; D43-R208 IonicContact OD2-NH2 3.97Å; D43-R208 PolarHBondContact OD2-NH2 3.46Å
44V98.5Very high98.6Very high16 Ų1641.3 Ų41.310%0.09720%0.204CC..SBendtrans-136.5140.9-179.2-174.80000109.5Y40 T46 R208 V211 K212Y40-V44 WeakPolarHBondContact O-CG2 3.46Å; V44-T46 HydrophobicContact CB-CG2 4.1Å; V44-T46 HydrophobicContact CG1-CG2 4.03Å; V44-T46 PolarHBondContact O-N 3.37Å; V44-R208 HydrophobicContact CG2-CB 3.76Å; V44-R208 HydrophobicContact CG2-CG 3.75Å; V44-V211 HydrophobicContact CB-CB 4.49Å; V44-V211 HydrophobicContact CB-CG1 3.99Å; V44-V211 HydrophobicContact CG1-CB 4.25Å; V44-V211 HydrophobicContact CG1-CG1 3.94Å; V44-V211 HydrophobicContact CG2-CB 4.15Å; V44-V211 HydrophobicContact CG2-CG1 4.08Å; V44-K212 HydrophobicContact CG1-CD 4.5Å; V44-K212 HydrophobicContact CG1-CG 3.44Å; V44-K212 VanDerWaalsContact CG1-CG 3.44Å
45D98.5Very high98.6Very high126 Ų12643.5 Ų43.567%0.67422%0.216SC*.  trans-69.5111.5170.8-173.117.3000109.6P47D45-P47 VanDerWaalsContact C-CD 3.45Å; D45-P47 WeakPolarHBondContact O-CD 3.33Å
46T98.8Very high98.6Very high2 Ų243.5 Ų43.51%0.01222%0.216CC..  trans-127.862.5-172.955.20000112D41 V44 N48 L49 D50 V211 D215D41-T46 HydrophobicContact CB-CG2 4.25Å; D41-T46 PolarHBondContact O-OG1 2.97Å; V44-T46 HydrophobicContact CB-CG2 4.1Å; V44-T46 HydrophobicContact CG1-CG2 4.03Å; V44-T46 PolarHBondContact O-N 3.37Å; T46-N48 VanDerWaalsContact C-N 3.25Å; T46-N48 PolarHBondContact O-N 3.43Å; T46-N48 VanDerWaalsContact O-N 3.16Å; T46-L49 HydrophobicContact CG2-CD1 4.14Å; T46-L49 PolarHBondContact O-N 3.25Å; T46-D50 WeakPolarHBondContact O-CB 3.29Å; T46-D50 PolarHBondContact O-N 2.93Å; T46-V211 HydrophobicContact CG2-CG1 3.87Å; T46-D215 VanDerWaalsContact CA-CG 3.47Å; T46-D215 VanDerWaalsContact CA-OD1 3.31Å; T46-D215 WeakPolarHBondContact CA-OD1 3.33Å; T46-D215 WeakPolarHBondContact CB-OD1 3.42Å; T46-D215 HydrophobicContact CG2-CB 4.15Å
47P98.8Very high98.6Very high66 Ų6643.5 Ų43.543%0.42922%0.216SC..Hα-helixtrans-61.2-29.5-171.424.9-35.9000113.8D45 Q51 D215D45-P47 VanDerWaalsContact C-CD 3.45Å; D45-P47 WeakPolarHBondContact O-CD 3.33Å; P47-Q51 VanDerWaalsContact O-CB 3.29Å; P47-Q51 WeakPolarHBondContact O-CB 3.24Å; P47-Q51 PolarHBondContact O-N 2.85Å; P47-D215 VanDerWaalsContact CD-OD2 3.25Å; P47-D215 WeakPolarHBondContact CD-OD2 3.44Å
48N98.9Very high98.6Very high48 Ų4845 Ų4526%0.25722%0.223SC..Hα-helixtrans-78.2-38.5-179.8-62.9-73.7000112.2T46 Q51 M52 D215 V218 G219T46-N48 VanDerWaalsContact C-N 3.25Å; T46-N48 PolarHBondContact O-N 3.43Å; T46-N48 VanDerWaalsContact O-N 3.16Å; N48-Q51 PolarHBondContact O-N 3.5Å; N48-M52 WeakPolarHBondContact O-CB 3.46Å; N48-M52 PolarHBondContact O-N 3.46Å; N48-D215 WeakPolarHBondContact CA-OD1 3.33Å; N48-D215 VanDerWaalsContact CB-O 3.28Å; N48-D215 WeakPolarHBondContact CB-O 3.49Å; N48-D215 WeakPolarHBondContact CB-OD1 3.3Å; N48-D215 WeakPolarHBondContact CB-OD2 3.5Å; N48-D215 PolarHBondContact N-OD1 3.44Å; N48-D215 PolarHBondContact N-OD2 3.36Å; N48-D215 VanDerWaalsContact N-OD2 3.16Å; N48-D215 PolarHBondContact ND2-O 2.93Å; N48-D215 VanDerWaalsContact ND2-O 3.15Å; N48-D215 PolarHBondContact ND2-OD2 3.14Å; N48-V218 HydrophobicContact CB-CB 4.27Å; N48-V218 HydrophobicContact CB-CG1 4.11Å; N48-G219 VanDerWaalsContact CG-CA 3.48Å; N48-G219 VanDerWaalsContact OD1-CA 3.29Å; N48-G219 WeakPolarHBondContact OD1-CA 3.46Å
49L98.8Very high98.6Very high1 Ų143 Ų431%0.00522%0.216CC..Hα-helixtrans-65.4-41.6171.1-78.8168.4000111.3F36 D41 T46 Q51 M52 A53 D215 V218 F361 R363F36-L49 HydrophobicContact CE2-CD1 4.48Å; F36-L49 HydrophobicContact CZ-CD1 3.98Å; D41-L49 HydrophobicContact CB-CD1 4.38Å; T46-L49 HydrophobicContact CG2-CD1 4.14Å; T46-L49 PolarHBondContact O-N 3.25Å; L49-Q51 VanDerWaalsContact C-N 3.35Å; L49-M52 PolarHBondContact O-N 3.46Å; L49-A53 PolarHBondContact O-N 3.03Å; L49-D215 PolarHBondContact N-OD1 3.38Å; L49-V218 HydrophobicContact CD2-CG1 4.29Å; L49-V218 HydrophobicContact CD2-CG2 3.97Å; L49-V218 HydrophobicContact CG-CG1 4.45Å; L49-V218 HydrophobicContact CG-CG2 4.18Å; L49-F361 HydrophobicContact CD2-CE2 4.32Å; L49-R363 HydrophobicContact CD2-CG 4.37Å; L49-R363 PolarHBondContact O-NH1 2.93Å
50D98.8Very high98.6Very high74 Ų7445.4 Ų45.440%0.39623%0.226SC..Hα-helixtrans-59.6-46173.9-77.6-16.2000111.5T46 M52 A53 K54T46-D50 WeakPolarHBondContact O-CB 3.29Å; T46-D50 PolarHBondContact O-N 2.93Å; D50-M52 VanDerWaalsContact C-N 3.34Å; D50-A53 PolarHBondContact O-N 3.46Å; D50-K54 PolarHBondContact O-N 3.44Å
51Q98.8Very high98.6Very high78 Ų7848 Ų4836%0.36424%0.236SC..Hα-helixtrans-65.9-38.6176.2-170.25650.200111.3P47 N48 L49 A53 K54 D55P47-Q51 VanDerWaalsContact O-CB 3.29Å; P47-Q51 WeakPolarHBondContact O-CB 3.24Å; P47-Q51 PolarHBondContact O-N 2.85Å; N48-Q51 PolarHBondContact O-N 3.5Å; L49-Q51 VanDerWaalsContact C-N 3.35Å; Q51-A53 VanDerWaalsContact C-N 3.3Å; Q51-A53 PolarHBondContact O-N 3.36Å; Q51-K54 PolarHBondContact O-N 2.93Å; Q51-D55 WeakPolarHBondContact CG-OD2 3.32Å; Q51-D55 PolarHBondContact NE2-OD1 2.91Å; Q51-D55 PolarHBondContact NE2-OD2 3.42Å; Q51-D55 WeakPolarHBondContact O-CB 3.49Å; Q51-D55 PolarHBondContact O-N 3.39Å
52M98.6Very high98.6Very high0 Ų047.4 Ų47.40%023%0.233CC..Hα-helixtrans-63.1-35.6176-173.4-177.8178.800112.2N48 L49 D50 D55 G56 V218 M238 R363 V365N48-M52 WeakPolarHBondContact O-CB 3.46Å; N48-M52 PolarHBondContact O-N 3.46Å; L49-M52 PolarHBondContact O-N 3.46Å; D50-M52 VanDerWaalsContact C-N 3.34Å; M52-D55 PolarHBondContact O-N 3.35Å; M52-G56 PolarHBondContact O-N 2.94Å; M52-G56 VanDerWaalsContact O-N 3.07Å; M52-V218 HydrophobicContact SD-CG1 4.15Å; M52-M238 HydrophobicContact CE-CB 4.15Å; M52-M238 HydrophobicContact CE-CE 4.26Å; M52-M238 HydrophobicContact CE-CG 3.77Å; M52-M238 HydrophobicContact CE-SD 3.73Å; M52-M238 HydrophobicContact SD-CE 4.21Å; M52-M238 HydrophobicContact SD-CG 4.33Å; M52-M238 HydrophobicContact SD-SD 3.52Å; M52-R363 HydrophobicContact CE-CB 3.6Å; M52-R363 HydrophobicContact CG-CB 4.42Å; M52-R363 HydrophobicContact SD-CB 3.74Å; M52-R363 HydrophobicContact SD-CG 4.4Å; M52-V365 HydrophobicContact CE-CB 4.25Å; M52-V365 HydrophobicContact CE-CG1 3.76Å; M52-V365 HydrophobicContact CG-CB 4.23Å; M52-V365 HydrophobicContact CG-CG1 4.16Å
53A98.4Very high98.7Very high19 Ų1941.1 Ų41.116%0.15721%0.211CC..Hα-helixtrans-65.9-38.817500000112.1L49 D50 Q51 K58L49-A53 PolarHBondContact O-N 3.03Å; D50-A53 PolarHBondContact O-N 3.46Å; Q51-A53 VanDerWaalsContact C-N 3.3Å; Q51-A53 PolarHBondContact O-N 3.36Å; A53-K58 HydrophobicContact CB-CB 4.18Å; A53-K58 HydrophobicContact CB-CD 4.17Å
54K98.6Very high98.7Very high116 Ų11638.2 Ų38.250%0.50420%0.196SC..Hα-helixtrans-67.5-39174.5-66.9171.9-172.3165.70112D50 Q51 G56 N372D50-K54 PolarHBondContact O-N 3.44Å; Q51-K54 PolarHBondContact O-N 2.93Å; K54-G56 VanDerWaalsContact C-N 3.27Å; K54-G56 PolarHBondContact O-N 3.08Å; K54-N372 WeakPolarHBondContact O-CA 3.45Å; K54-N372 WeakPolarHBondContact O-CB 3.29Å; K54-N372 PolarHBondContact O-N 2.92Å
55D98.4Very high98.7Very high48 Ų4837.6 Ų37.626%0.25719%0.192SC..Hα-helixtrans-83.3-4.9-175.7-61.7-25.1000113.1Q51 M52 R222 V365 Q371Q51-D55 WeakPolarHBondContact CG-OD2 3.32Å; Q51-D55 PolarHBondContact NE2-OD1 2.91Å; Q51-D55 PolarHBondContact NE2-OD2 3.42Å; Q51-D55 WeakPolarHBondContact O-CB 3.49Å; Q51-D55 PolarHBondContact O-N 3.39Å; M52-D55 PolarHBondContact O-N 3.35Å; D55-R222 IonicContact OD2-CZ 3.58Å; D55-R222 IonicContact OD2-NH1 3.66Å; D55-R222 IonicContact OD2-NH2 2.65Å; D55-R222 PolarHBondContact OD2-NH2 3.28Å; D55-V365 HydrophobicContact CB-CG2 4.1Å; D55-V365 WeakPolarHBondContact O-CG2 3.39Å; D55-Q371 WeakPolarHBondContact O-CG 3.46Å
56G98.7Very high98.6Very high0 Ų031.6 Ų31.60%016%0.16CC..SBendtrans-155.2-141.2-171.600000114.1M52 K54 A364 H370 Q371 N372 L373M52-G56 PolarHBondContact O-N 2.94Å; M52-G56 VanDerWaalsContact O-N 3.07Å; K54-G56 VanDerWaalsContact C-N 3.27Å; K54-G56 PolarHBondContact O-N 3.08Å; G56-A364 CarbonylContact C-O 3.55Å; G56-A364 WeakPolarHBondContact CA-O 3.22Å; G56-H370 CarbonylContact C-O 3.53Å; G56-H370 VanDerWaalsContact CA-O 3.31Å; G56-H370 WeakPolarHBondContact CA-O 3.1Å; G56-Q371 CarbonylContact O-C 3.5Å; G56-N372 PolarHBondContact O-N 2.92Å; G56-L373 PolarHBondContact O-N 2.85Å
57V98.9Very high98.5Very high0 Ų031.8 Ų31.80%016%0.161CC..EExtended strand (participates in β ladder)trans-114.6137.9-177.1-178.40000110R363 A364 F369 H370 L373 V375 M408V57-R363 WeakPolarHBondContact O-CA 3.14Å; V57-A364 PolarHBondContact N-O 3.44Å; V57-A364 PolarHBondContact O-N 3.45Å; V57-F369 HydrophobicContact CG2-CB 4.07Å; V57-F369 HydrophobicContact CG2-CD1 4.11Å; V57-F369 HydrophobicContact CG2-CG 4.48Å; V57-H370 HydrophobicContact CG2-CB 4.43Å; V57-H370 WeakPolarHBondContact CG2-O 3.37Å; V57-L373 CarbonylContact C-O 3.55Å; V57-L373 VanDerWaalsContact CA-O 3.26Å; V57-L373 WeakPolarHBondContact CA-O 3.47Å; V57-L373 HydrophobicContact CG2-CB 4.26Å; V57-L373 HydrophobicContact CG2-CD2 4.26Å; V57-V375 HydrophobicContact CG1-CG1 4.1Å; V57-V375 HydrophobicContact CG1-CG2 4.2Å; V57-M408 HydrophobicContact CG1-CB 4.2Å; V57-M408 HydrophobicContact CG1-CG 3.93Å; V57-M408 HydrophobicContact CG1-SD 4.27Å; V57-M408 HydrophobicContact CG2-CB 4.18Å
58K98.8Very high98.5Very high41 Ų4128.6 Ų28.618%0.17814%0.141CC..EExtended strand (participates in β ladder)trans-124.8131.7172167.9174.1-178.7163.60109.4D41 A53 R363 L373 E374 V375D41-K58 IonicContact OD2-NZ 3.49Å; D41-K58 PolarHBondContact OD2-NZ 3.3Å; A53-K58 HydrophobicContact CB-CB 4.18Å; A53-K58 HydrophobicContact CB-CD 4.17Å; K58-R363 VanDerWaalsContact CG-NE 3.31Å; K58-R363 VanDerWaalsContact NZ-NH2 3.13Å; K58-L373 PolarHBondContact N-O 2.84Å; K58-E374 CarbonylContact O-C 3.53Å; K58-E374 VanDerWaalsContact O-CA 3.28Å; K58-E374 WeakPolarHBondContact O-CA 3.46Å; K58-V375 PolarHBondContact O-N 2.85Å
59A98.9Very high98.4Very high3 Ų326.7 Ų26.73%0.02513%0.13CC..EExtended strand (participates in β ladder)trans-87.1149.5163.500000110Y61 V62 F362 V375 F378A59-Y61 PolarHBondContact O-N 3.49Å; A59-V62 HydrophobicContact CB-CG1 4.32Å; A59-F362 HydrophobicContact CB-CB 3.91Å; A59-F362 HydrophobicContact CB-CD1 4.09Å; A59-F362 HydrophobicContact CB-CG 4.4Å; A59-F362 PolarHBondContact N-O 3.21Å; A59-F362 VanDerWaalsContact N-O 3.16Å; A59-V375 HydrophobicContact CB-CG2 4Å; A59-F378 HydrophobicContact CB-CD1 4.28Å; A59-F378 HydrophobicContact CB-CE1 3.73Å
60Q98.7Very high98.4Very high85 Ų8527 Ų2740%0.39713%0.132SC..SBendtrans-55.7-44.3169.3-75.4-179.3-17.800111.6E374 V375 P377Q60-E374 HydrophobicContact CG-CG 4.39Å; Q60-E374 VanDerWaalsContact CG-OE1 3.27Å; Q60-E374 WeakPolarHBondContact CG-OE1 3.44Å; Q60-V375 PolarHBondContact N-O 2.74Å; Q60-P377 HydrophobicContact CB-CG 4.26Å
61Y98.9Very high98.4Very high57 Ų5723.4 Ų23.422%0.22411%0.113CC..  trans-167.5167.8167.454.7-93.7000108W38 A59 M356 K359 P377W38-Y61 HydrophobicContact CE3-CD1 4.17Å; W38-Y61 HydrophobicContact CZ3-CD1 4.47Å; A59-Y61 PolarHBondContact O-N 3.49Å; Y61-M356 HydrophobicContact CD1-CE 3.88Å; Y61-M356 HydrophobicContact CE1-CE 3.83Å; Y61-M356 HydrophobicContact CE1-SD 4.29Å; Y61-M356 HydrophobicContact CG-CE 4.34Å; Y61-K359 HydrophobicContact CD2-CB 3.99Å; Y61-K359 HydrophobicContact CD2-CD 3.93Å; Y61-K359 HydrophobicContact CD2-CG 3.8Å; Y61-K359 HydrophobicContact CE2-CD 4.15Å; Y61-K359 HydrophobicContact CE2-CG 4.24Å; Y61-K359 HydrophobicContact CG-CB 4.19Å; Y61-K359 HydrophobicContact CG-CG 4.31Å; Y61-P377 HydrophobicContact CD1-CB 4.4Å; Y61-P377 HydrophobicContact CD1-CG 3.93Å; Y61-P377 HydrophobicContact CD2-CB 3.72Å; Y61-P377 HydrophobicContact CD2-CG 4.12Å; Y61-P377 HydrophobicContact CE1-CB 4.1Å; Y61-P377 HydrophobicContact CE1-CG 3.39Å; Y61-P377 HydrophobicContact CE2-CB 3.36Å; Y61-P377 HydrophobicContact CE2-CG 3.62Å; Y61-P377 HydrophobicContact CG-CB 4.23Å; Y61-P377 HydrophobicContact CG-CG 4.25Å; Y61-P377 VanDerWaalsContact O-CA 3.29Å; Y61-P377 WeakPolarHBondContact O-CA 3.2Å; Y61-P377 WeakPolarHBondContact OH-CG 3.06Å
62V98.9Very high98.4Very high0 Ų019.7 Ų19.70%010%0.096CC..EExtended strand (participates in β ladder)trans-112.8157.9166.1-74.20000110.3A59 K359 P360 F362 F378 T380A59-V62 HydrophobicContact CB-CG1 4.32Å; V62-K359 WeakPolarHBondContact O-CB 3.48Å; V62-P360 HydrophobicContact CG2-CB 4.2Å; V62-P360 HydrophobicContact CG2-CG 3.73Å; V62-P360 VanDerWaalsContact CG2-O 3.27Å; V62-P360 WeakPolarHBondContact CG2-O 3.34Å; V62-P360 PolarHBondContact N-O 3.02Å; V62-P360 VanDerWaalsContact O-CD 3.3Å; V62-P360 WeakPolarHBondContact O-CD 3.3Å; V62-F362 HydrophobicContact CG1-CB 3.55Å; V62-F362 HydrophobicContact CG1-CD2 4.42Å; V62-F362 HydrophobicContact CG1-CG 4.12Å; V62-F362 HydrophobicContact CG2-CB 4.16Å; V62-F378 CarbonylContact C-O 3.56Å; V62-F378 WeakPolarHBondContact CA-O 3.44Å; V62-F378 WeakPolarHBondContact CB-O 3.2Å; V62-F378 HydrophobicContact CG1-CD1 3.97Å; V62-F378 HydrophobicContact CG1-CD2 4.12Å; V62-F378 HydrophobicContact CG1-CE1 3.54Å; V62-F378 HydrophobicContact CG1-CE2 3.71Å; V62-F378 HydrophobicContact CG1-CG 4.24Å; V62-F378 HydrophobicContact CG1-CZ 3.4Å; V62-F378 VanDerWaalsContact CG1-CZ 3.4Å; V62-T380 HydrophobicContact CB-CG2 3.95Å; V62-T380 HydrophobicContact CG2-CG2 3.84Å
63T98.9Very high98.4Very high20 Ų2019.7 Ų19.712%0.12310%0.096CC..EExtended strand (participates in β ladder)trans-105.6120.6175.2-64.90000109.2K359 F378 E379 T380T63-K359 PolarHBondContact OG1-NZ 3.22Å; T63-F378 PolarHBondContact N-O 3.41Å; T63-E379 HydrophobicContact CG2-CG 4.42Å; T63-E379 CarbonylContact O-C 3.57Å; T63-E379 VanDerWaalsContact O-CA 3.27Å; T63-E379 WeakPolarHBondContact O-CA 3.41Å; T63-T380 PolarHBondContact O-N 3.14Å
64P98.7Very high98.4Very high2 Ų218.8 Ų18.81%0.0139%0.088CC..PPolyproline II helixtrans-76162.7176.234.1-34000111T68 T73 D241 N353 M358P64-T68 HydrophobicContact CB-CG2 4.34Å; P64-T68 HydrophobicContact CG-CG2 3.61Å; P64-T73 HydrophobicContact CB-CG2 3.99Å; P64-D241 WeakPolarHBondContact CB-O 3.35Å; P64-N353 HydrophobicContact CG-CB 4.38Å; P64-N353 VanDerWaalsContact O-CB 3.3Å; P64-N353 WeakPolarHBondContact O-CB 3.33Å; P64-N353 PolarHBondContact O-ND2 3.07Å; P64-M358 WeakPolarHBondContact CG-O 3.27Å
65P98.3Very high98.4Very high4 Ų413.3 Ų13.33%0.0266%0.064CC..PPolyproline II helixtrans-65.3157.6166.835.6-40.8000110.3L67 T73 T76 Y82 I83 T380P65-L67 CarbonylContact O-C 3.56Å; P65-T73 HydrophobicContact CG-CG2 3.94Å; P65-T76 HydrophobicContact CB-CG2 4.46Å; P65-T76 HydrophobicContact CG-CG2 4Å; P65-T76 WeakPolarHBondContact CG-OG1 3.37Å; P65-Y82 HydrophobicContact CB-CD1 4.36Å; P65-I83 HydrophobicContact CB-CD1 3.79Å; P65-I83 HydrophobicContact CB-CG1 3.97Å; P65-I83 HydrophobicContact CG-CD1 3.67Å; P65-I83 HydrophobicContact CG-CG1 3.99Å; P65-T380 WeakPolarHBondContact CD-OG1 3.48Å
66Y97Very high98.5Very high0 Ų011 Ų110%05%0.052CC..SBendtrans-93.1135.4165.2176.1-92.6000109.9I83 M311 L315 F317 W329 F351 N353Y66-I83 VanDerWaalsContact C-CD1 3.44Å; Y66-I83 WeakPolarHBondContact O-CD1 3.28Å; Y66-M311 HydrophobicContact CE1-CE 3.86Å; Y66-L315 HydrophobicContact CD1-CB 3.84Å; Y66-L315 HydrophobicContact CD1-CD1 4.19Å; Y66-L315 HydrophobicContact CD1-CD2 4.15Å; Y66-L315 HydrophobicContact CD1-CG 4.28Å; Y66-L315 HydrophobicContact CD2-CD2 4.29Å; Y66-L315 HydrophobicContact CE1-CD1 4.4Å; Y66-L315 HydrophobicContact CG-CB 4.19Å; Y66-L315 HydrophobicContact CG-CD2 3.77Å; Y66-L315 HydrophobicContact CG-CG 4.39Å; Y66-F317 HydrophobicContact CD1-CB 3.59Å; Y66-F317 HydrophobicContact CD1-CD1 4.21Å; Y66-F317 HydrophobicContact CD1-CD2 4.41Å; Y66-F317 AromaticContact CD1-CG 3.83Å; Y66-F317 HydrophobicContact CD1-CG 3.83Å; Y66-F317 HydrophobicContact CE1-CB 3.96Å; Y66-F317 AromaticContact CE1-CD1 3.73Å; Y66-F317 HydrophobicContact CE1-CD1 3.73Å; Y66-F317 HydrophobicContact CE1-CE1 4.41Å; Y66-F317 AromaticContact CE1-CG 3.84Å; Y66-F317 HydrophobicContact CE1-CG 3.84Å; Y66-W329 HydrophobicContact CD1-CZ3 4.35Å; Y66-W329 HydrophobicContact CD2-CE3 4.03Å; Y66-W329 AromaticContact CD2-CZ3 3.73Å; Y66-W329 HydrophobicContact CD2-CZ3 3.73Å; Y66-W329 HydrophobicContact CE1-CE3 4.07Å; Y66-W329 HydrophobicContact CE1-CZ3 4.03Å; Y66-W329 HydrophobicContact CE2-CD2 4.47Å; Y66-W329 AromaticContact CE2-CE3 3.2Å; Y66-W329 HydrophobicContact CE2-CE3 3.2Å; Y66-W329 AromaticContact CE2-CZ3 3.39Å; Y66-W329 HydrophobicContact CE2-CZ3 3.39Å; Y66-W329 HydrophobicContact CG-CZ3 4.21Å; Y66-W329 AromaticContact CZ-CE3 3.19Å; Y66-W329 AromaticContact CZ-CZ3 3.53Å; Y66-F351 WeakPolarHBondContact CD2-O 3.43Å; Y66-N353 PolarHBondContact N-ND2 3.5Å
67L95.6Very high98.5Very high5 Ų511 Ų113%0.0265%0.052CC..SBendcis-68.2136.9-2.1-72.8158.2000113.5P65 V69 T73 I83 S279 F317P65-L67 CarbonylContact O-C 3.56Å; L67-V69 HydrophobicContact CB-CB 4.44Å; L67-V69 HydrophobicContact CB-CG2 4.03Å; L67-V69 PolarHBondContact O-N 3.41Å; L67-T73 PolarHBondContact O-OG1 2.89Å; L67-I83 VanDerWaalsContact N-CD1 3.34Å; L67-I83 WeakPolarHBondContact O-CD1 3.29Å; L67-S279 VanDerWaalsContact CD2-OG 3.26Å; L67-S279 WeakPolarHBondContact CD2-OG 3.19Å; L67-F317 HydrophobicContact CD1-CE1 3.94Å; L67-F317 HydrophobicContact CD1-CE2 3.67Å; L67-F317 HydrophobicContact CD1-CZ 3.3Å; L67-F317 HydrophobicContact CG-CD2 4.46Å; L67-F317 HydrophobicContact CG-CE1 4.29Å; L67-F317 HydrophobicContact CG-CE2 4Å; L67-F317 HydrophobicContact CG-CZ 3.92Å
68T98.1Very high98.5Very high0 Ų011 Ų110%05%0.052CC..  trans-78.762.217769.80000111.4P64 H242 H349 G350 F351 N353 M358P64-T68 HydrophobicContact CB-CG2 4.34Å; P64-T68 HydrophobicContact CG-CG2 3.61Å; T68-H242 PolarHBondContact O-CD2 3.37Å; T68-H349 PolarHBondContact O-ND1 3.23Å; T68-G350 WeakPolarHBondContact O-CA 3.26Å; T68-G350 PolarHBondContact O-N 3.48Å; T68-G350 WeakPolarHBondContact OG1-CA 3.39Å; T68-G350 PolarHBondContact OG1-N 2.74Å; T68-F351 PolarHBondContact OG1-N 2.97Å; T68-F351 PolarHBondContact OG1-O 3.15Å; T68-N353 HydrophobicContact CG2-CB 3.57Å; T68-M358 HydrophobicContact CG2-CB 4.2Å; T68-M358 HydrophobicContact CG2-CG 4.47Å; T68-M358 PolarHBondContact OG1-SD 3.35Å
69V97.9Very high98.5Very high7 Ų79.1 Ų9.14%0.0424%0.044CC..  trans-121.3150.5-176174.10000108.9L67 P72 T73 N91L67-V69 HydrophobicContact CB-CB 4.44Å; L67-V69 HydrophobicContact CB-CG2 4.03Å; L67-V69 PolarHBondContact O-N 3.41Å; V69-P72 HydrophobicContact CB-CG 4.29Å; V69-P72 HydrophobicContact CG1-CG 4.42Å; V69-P72 WeakPolarHBondContact O-CD 3.33Å; V69-T73 WeakPolarHBondContact O-CB 3.24Å; V69-T73 PolarHBondContact O-N 3.02Å; V69-T73 PolarHBondContact O-OG1 3.45Å; V69-N91 HydrophobicContact CG1-CB 3.93Å; V69-N91 VanDerWaalsContact CG1-ND2 3.27Å; V69-N91 WeakPolarHBondContact CG1-ND2 3.29Å
70T98.7Very high98.5Very high7 Ų79 Ų94%0.0434%0.043CC..Hα-helixtrans-49.5-67.5-169-44.60000115.2D34 T73 H74 Y104 P138 D241 H242D34-T70 WeakPolarHBondContact OD2-CG2 3.31Å; T70-T73 PolarHBondContact O-N 3.43Å; T70-H74 WeakPolarHBondContact CG2-ND1 3.47Å; T70-H74 VanDerWaalsContact O-CB 3.32Å; T70-H74 WeakPolarHBondContact O-CB 3.38Å; T70-H74 PolarHBondContact O-N 2.9Å; T70-H74 PolarHBondContact O-ND1 3.17Å; T70-Y104 HydrophobicContact CG2-CE2 4.04Å; T70-P138 HydrophobicContact CG2-CG 4.27Å; T70-D241 WeakPolarHBondContact CA-OD2 3.13Å; T70-H242 PolarHBondContact OG1-NE2 2.89Å
71S98.8Very high98.5Very high0 Ų07.4 Ų7.40%03%0.033CC..Hα-helixtrans-63.2-47.2-173.7-60.80000112.8T73 F75 N91 Y104S71-T73 PolarHBondContact O-N 2.84Å; S71-F75 WeakPolarHBondContact O-CB 3.24Å; S71-F75 PolarHBondContact O-N 3.3Å; S71-N91 WeakPolarHBondContact CA-OD1 3.41Å; S71-N91 WeakPolarHBondContact CB-OD1 3.49Å; S71-N91 PolarHBondContact N-OD1 3.4Å; S71-N91 PolarHBondContact OG-OD1 2.95Å; S71-Y104 WeakPolarHBondContact OG-CE2 3.31Å
72P98.8Very high98.5Very high0 Ų06.1 Ų6.10%03%0.029CC..Hα-helixtrans-56.1-48.5175.2-26.736.6000112.5V69 F75 T76 I83 H86 V88V69-P72 HydrophobicContact CB-CG 4.29Å; V69-P72 HydrophobicContact CG1-CG 4.42Å; V69-P72 WeakPolarHBondContact O-CD 3.33Å; P72-F75 PolarHBondContact O-N 3.43Å; P72-T76 PolarHBondContact O-N 3.47Å; P72-T76 PolarHBondContact O-OG1 3.13Å; P72-I83 HydrophobicContact CB-CD1 3.36Å; P72-I83 HydrophobicContact CB-CG1 3.68Å; P72-I83 HydrophobicContact CB-CG2 4.16Å; P72-H86 PolarHBondContact O-CE1 3.45Å; P72-H86 PolarHBondContact O-NE2 3.11Å; P72-V88 VanDerWaalsContact CA-O 3.32Å; P72-V88 WeakPolarHBondContact CA-O 3.33Å; P72-V88 WeakPolarHBondContact CB-O 3.45Å; P72-V88 WeakPolarHBondContact CG-O 3.48Å
73T98.8Very high98.5Very high0 Ų06.1 Ų6.10%03%0.029CC..Hα-helixtrans-72.6-39.8-174.6-52.80000112.7P64 P65 L67 V69 T70 S71 F75 T76 L77 D241P64-T73 HydrophobicContact CB-CG2 3.99Å; P65-T73 HydrophobicContact CG-CG2 3.94Å; L67-T73 PolarHBondContact O-OG1 2.89Å; V69-T73 WeakPolarHBondContact O-CB 3.24Å; V69-T73 PolarHBondContact O-N 3.02Å; V69-T73 PolarHBondContact O-OG1 3.45Å; T70-T73 PolarHBondContact O-N 3.43Å; S71-T73 PolarHBondContact O-N 2.84Å; T73-F75 VanDerWaalsContact C-N 3.26Å; T73-F75 PolarHBondContact O-N 3.27Å; T73-T76 VanDerWaalsContact O-CB 3.3Å; T73-T76 WeakPolarHBondContact O-CB 3.45Å; T73-T76 PolarHBondContact O-N 2.9Å; T73-T76 VanDerWaalsContact O-N 3.14Å; T73-L77 PolarHBondContact O-N 3.41Å; T73-D241 HydrophobicContact CG2-CB 3.84Å; T73-D241 WeakPolarHBondContact CG2-O 3.45Å
74H98.9Very high98.4Very high0 Ų06.2 Ų6.20%03%0.027CC..Hα-helixtrans-60.8-37.9172.6-79.197.7000111.6S32 D34 T70 T76 L77 L78 F137 P138 Y189 D241S32-H74 VanDerWaalsContact CB-NE2 3.25Å; S32-H74 WeakPolarHBondContact CB-NE2 3.35Å; S32-H74 PolarHBondContact OG-NE2 2.95Å; D34-H74 IonicContact OD2-CE1 2.71Å; T70-H74 WeakPolarHBondContact CG2-ND1 3.47Å; T70-H74 VanDerWaalsContact O-CB 3.32Å; T70-H74 WeakPolarHBondContact O-CB 3.38Å; T70-H74 PolarHBondContact O-N 2.9Å; T70-H74 PolarHBondContact O-ND1 3.17Å; H74-T76 VanDerWaalsContact C-N 3.34Å; H74-L77 WeakPolarHBondContact O-CB 3.38Å; H74-L77 PolarHBondContact O-N 2.7Å; H74-L78 WeakPolarHBondContact O-CG 3.19Å; H74-L78 PolarHBondContact O-N 3.49Å; H74-F137 HydrophobicContact CB-CD1 4.29Å; H74-F137 HydrophobicContact CB-CE1 3.8Å; H74-F137 AromaticContact CD2-CE1 3.5Å; H74-F137 VanDerWaalsContact CD2-CE1 3.5Å; H74-F137 WeakPolarHBondContact CD2-CE1 3.27Å; H74-F137 AromaticContact CD2-CZ 3.51Å; H74-P138 HydrophobicContact CB-CB 3.89Å; H74-P138 HydrophobicContact CB-CG 3.71Å; H74-Y189 AromaticContact CE1-CD2 3.91Å; H74-Y189 AromaticContact CE1-CE2 3.66Å; H74-Y189 AromaticContact NE2-CD2 3.46Å; H74-Y189 WeakPolarHBondContact NE2-CD2 3.36Å; H74-Y189 AromaticContact NE2-CE2 3.69Å; H74-D241 VanDerWaalsContact CE1-CB 3.44Å; H74-D241 WeakPolarHBondContact CE1-CB 3.38Å; H74-D241 IonicContact CE1-OD1 3.1Å; H74-D241 IonicContact CE1-OD2 3.28Å; H74-D241 PolarHBondContact CE1-OD2 3.43Å; H74-D241 IonicContact ND1-OD2 3.61Å; H74-D241 PolarHBondContact ND1-OD2 3.26Å; H74-D241 VanDerWaalsContact ND1-OD2 3.13Å
75F98.8Very high98.4Very high0 Ų08.2 Ų8.20%04%0.038CC..Hα-helixtrans-70.1-31.6176.1-155.1-120.7000112.3S71 P72 T73 L78 T79 H86 V88 W114 T118 P120 Y144S71-F75 WeakPolarHBondContact O-CB 3.24Å; S71-F75 PolarHBondContact O-N 3.3Å; P72-F75 PolarHBondContact O-N 3.43Å; T73-F75 VanDerWaalsContact C-N 3.26Å; T73-F75 PolarHBondContact O-N 3.27Å; F75-L78 HydrophobicContact CD2-CD1 4.27Å; F75-L78 PolarHBondContact O-N 3.41Å; F75-T79 HydrophobicContact CD1-CG2 4.05Å; F75-T79 HydrophobicContact CD2-CG2 4.28Å; F75-T79 HydrophobicContact CE1-CG2 3.84Å; F75-T79 HydrophobicContact CE2-CG2 4.06Å; F75-T79 HydrophobicContact CG-CG2 4.27Å; F75-T79 HydrophobicContact CZ-CG2 3.82Å; F75-T79 WeakPolarHBondContact O-CB 3.41Å; F75-T79 VanDerWaalsContact O-CG2 3.25Å; F75-T79 WeakPolarHBondContact O-CG2 3.33Å; F75-T79 PolarHBondContact O-N 3.14Å; F75-T79 VanDerWaalsContact O-N 3.1Å; F75-T79 PolarHBondContact O-OG1 2.91Å; F75-H86 HydrophobicContact CD1-CB 3.82Å; F75-H86 AromaticContact CD1-CG 3.7Å; F75-H86 AromaticContact CD1-ND1 3.88Å; F75-H86 HydrophobicContact CE1-CB 3.99Å; F75-V88 HydrophobicContact CB-CB 4.28Å; F75-V88 HydrophobicContact CB-CG2 4.34Å; F75-V88 HydrophobicContact CD1-CB 4Å; F75-V88 HydrophobicContact CD1-CG2 3.43Å; F75-V88 VanDerWaalsContact CD1-CG2 3.43Å; F75-V88 HydrophobicContact CE1-CG2 3.79Å; F75-V88 HydrophobicContact CG-CB 4.36Å; F75-V88 HydrophobicContact CG-CG2 3.9Å; F75-W114 HydrophobicContact CB-CZ3 4.41Å; F75-W114 AromaticContact CD2-CE3 3.91Å; F75-W114 HydrophobicContact CD2-CE3 3.91Å; F75-W114 HydrophobicContact CD2-CZ3 4.21Å; F75-W114 HydrophobicContact CE2-CE3 4.24Å; F75-W114 HydrophobicContact CG-CE3 4.3Å; F75-W114 HydrophobicContact CG-CZ3 4.45Å; F75-T118 HydrophobicContact CE1-CG2 4Å; F75-T118 HydrophobicContact CZ-CG2 4.37Å; F75-P120 HydrophobicContact CE2-CB 4.1Å; F75-P120 HydrophobicContact CE2-CG 4.39Å; F75-Y144 AromaticContact CE2-CE1 3.74Å; F75-Y144 HydrophobicContact CE2-CE1 3.74Å; F75-Y144 AromaticContact CE2-CZ 3.94Å; F75-Y144 WeakPolarHBondContact CE2-OH 3.38Å; F75-Y144 AromaticContact CZ-CE1 3.68Å; F75-Y144 HydrophobicContact CZ-CE1 3.68Å
76T98.9Very high98.4Very high0 Ų08 Ų80%04%0.037CC..Hα-helixtrans-59.3-44.9167.6-67.90000111.9P65 P72 T73 H74 L78 T79 G80 R81 H86 V381P65-T76 HydrophobicContact CB-CG2 4.46Å; P65-T76 HydrophobicContact CG-CG2 4Å; P65-T76 WeakPolarHBondContact CG-OG1 3.37Å; P72-T76 PolarHBondContact O-N 3.47Å; P72-T76 PolarHBondContact O-OG1 3.13Å; T73-T76 VanDerWaalsContact O-CB 3.3Å; T73-T76 WeakPolarHBondContact O-CB 3.45Å; T73-T76 PolarHBondContact O-N 2.9Å; T73-T76 VanDerWaalsContact O-N 3.14Å; H74-T76 VanDerWaalsContact C-N 3.34Å; T76-L78 PolarHBondContact O-N 3.23Å; T76-T79 PolarHBondContact O-N 3.41Å; T76-G80 WeakPolarHBondContact O-CA 3.27Å; T76-G80 PolarHBondContact O-N 2.95Å; T76-R81 WeakPolarHBondContact CB-O 3.12Å; T76-R81 WeakPolarHBondContact CG2-O 3.5Å; T76-R81 PolarHBondContact OG1-O 2.93Å; T76-H86 PolarHBondContact N-NE2 2.99Å; T76-H86 PolarHBondContact OG1-CD2 2.94Å; T76-H86 PolarHBondContact OG1-NE2 3.39Å; T76-V381 HydrophobicContact CG2-CB 4.2Å; T76-V381 HydrophobicContact CG2-CG2 4.38Å
77L98.9Very high98.5Very high0 Ų08.1 Ų8.10%04%0.038CC..Hα-helixtrans-57.8-36.3176.5-67.9172.9000112.5L30 T73 H74 F137 T239 T380 I383 M387L30-L77 HydrophobicContact CD2-CB 4.47Å; T73-L77 PolarHBondContact O-N 3.41Å; H74-L77 WeakPolarHBondContact O-CB 3.38Å; H74-L77 PolarHBondContact O-N 2.7Å; L77-F137 HydrophobicContact CD1-CZ 4.33Å; L77-T239 HydrophobicContact CD1-CG2 3.93Å; L77-T239 HydrophobicContact CD2-CG2 4.21Å; L77-T380 HydrophobicContact CD2-CG2 4.25Å; L77-I383 HydrophobicContact CD2-CB 4.28Å; L77-I383 HydrophobicContact CD2-CD1 3.56Å; L77-I383 HydrophobicContact CD2-CG1 4.43Å; L77-M387 VanDerWaalsContact O-CE 3.24Å; L77-M387 WeakPolarHBondContact O-CE 3.43Å
78L98.8Very high98.6Very high0 Ų07.9 Ų7.90%04%0.037CC..Hα-helixtrans-83.8-17.3-176.1-64.9168.9000114.3L30 H74 F75 T76 P120 I121 W122 F137 F185 Y384L30-L78 HydrophobicContact CD2-CD2 4.15Å; H74-L78 WeakPolarHBondContact O-CG 3.19Å; H74-L78 PolarHBondContact O-N 3.49Å; F75-L78 HydrophobicContact CD2-CD1 4.27Å; F75-L78 PolarHBondContact O-N 3.41Å; T76-L78 PolarHBondContact O-N 3.23Å; L78-P120 HydrophobicContact CB-CB 4.01Å; L78-P120 CarbonylContact O-C 3.55Å; L78-I121 HydrophobicContact CD2-CG2 4.11Å; L78-I121 WeakPolarHBondContact O-CB 3.38Å; L78-I121 PolarHBondContact O-N 3.01Å; L78-W122 HydrophobicContact CD1-CE3 4.37Å; L78-W122 HydrophobicContact CD1-CH2 3.27Å; L78-W122 HydrophobicContact CD1-CZ2 4.44Å; L78-W122 HydrophobicContact CD1-CZ3 3.23Å; L78-W122 HydrophobicContact CD2-CE3 3.9Å; L78-W122 HydrophobicContact CD2-CH2 4.33Å; L78-W122 HydrophobicContact CD2-CZ3 3.4Å; L78-W122 HydrophobicContact CG-CH2 4.31Å; L78-W122 HydrophobicContact CG-CZ3 3.84Å; L78-F137 HydrophobicContact CD1-CD1 3.62Å; L78-F137 HydrophobicContact CD1-CE1 3.67Å; L78-F137 HydrophobicContact CD2-CD1 4.17Å; L78-F137 HydrophobicContact CD2-CE1 3.84Å; L78-F137 HydrophobicContact CD2-CZ 4.37Å; L78-F137 HydrophobicContact CG-CD1 4.08Å; L78-F137 HydrophobicContact CG-CE1 3.66Å; L78-F185 HydrophobicContact CD2-CZ 4.46Å; L78-Y384 WeakPolarHBondContact O-CD2 3.41Å; L78-Y384 VanDerWaalsContact O-CE2 3.3Å; L78-Y384 WeakPolarHBondContact O-CE2 3.42Å
79T98.9Very high98.6Very high2 Ų27.9 Ų7.91%0.0124%0.037CC..Hα-helixtrans-125.3-19.3-169.561.50000113.2F75 T76 R81 T118 P120 Y384 N398F75-T79 HydrophobicContact CD1-CG2 4.05Å; F75-T79 HydrophobicContact CD2-CG2 4.28Å; F75-T79 HydrophobicContact CE1-CG2 3.84Å; F75-T79 HydrophobicContact CE2-CG2 4.06Å; F75-T79 HydrophobicContact CG-CG2 4.27Å; F75-T79 HydrophobicContact CZ-CG2 3.82Å; F75-T79 WeakPolarHBondContact O-CB 3.41Å; F75-T79 VanDerWaalsContact O-CG2 3.25Å; F75-T79 WeakPolarHBondContact O-CG2 3.33Å; F75-T79 PolarHBondContact O-N 3.14Å; F75-T79 VanDerWaalsContact O-N 3.1Å; F75-T79 PolarHBondContact O-OG1 2.91Å; T76-T79 PolarHBondContact O-N 3.41Å; T79-R81 PolarHBondContact O-N 2.74Å; T79-R81 PolarHBondContact OG1-N 3.47Å; T79-T118 HydrophobicContact CG2-CG2 3.41Å; T79-T118 VanDerWaalsContact CG2-CG2 3.41Å; T79-P120 HydrophobicContact CG2-CB 4.44Å; T79-Y384 VanDerWaalsContact C-CG 3.44Å; T79-Y384 WeakPolarHBondContact O-CD1 3.46Å; T79-N398 WeakPolarHBondContact O-CB 3.3Å
80G98.8Very high98.6Very high0 Ų07.8 Ų7.80%04%0.036CC..  trans64.922.2-174.200000113.1T76 V381 N398 D399 G400T76-G80 WeakPolarHBondContact O-CA 3.27Å; T76-G80 PolarHBondContact O-N 2.95Å; G80-V381 WeakPolarHBondContact CA-O 3.29Å; G80-V381 WeakPolarHBondContact O-CG2 3.25Å; G80-N398 WeakPolarHBondContact O-CB 3.29Å; G80-D399 PolarHBondContact O-N 3.23Å; G80-G400 PolarHBondContact O-N 2.8Å
81R98.7Very high98.6Very high51 Ų517.7 Ų7.719%0.1924%0.035CC..  trans-111.9145.1179.5-68.9175.576.985.94.3109.8T76 T79 N85 H86 V397 N398 D399T76-R81 WeakPolarHBondContact CB-O 3.12Å; T76-R81 WeakPolarHBondContact CG2-O 3.5Å; T76-R81 PolarHBondContact OG1-O 2.93Å; T79-R81 PolarHBondContact O-N 2.74Å; T79-R81 PolarHBondContact OG1-N 3.47Å; R81-N85 HydrophobicContact CB-CB 4.13Å; R81-N85 PolarHBondContact NE-O 3.15Å; R81-N85 PolarHBondContact NH2-O 3.27Å; R81-H86 HydrophobicContact CB-CB 3.95Å; R81-H86 PolarHBondContact O-CD2 3.22Å; R81-V397 PolarHBondContact NH1-O 2.83Å; R81-N398 HydrophobicContact CG-CB 4.42Å; R81-D399 VanDerWaalsContact CA-OD2 3.24Å; R81-D399 WeakPolarHBondContact CA-OD2 3.32Å
82Y98.8Very high98.6Very high31 Ų319 Ų912%0.1224%0.042CC..  trans-65.5165.3168.1-66.4-69.7000111.3P65 E84 N85 H86 H316 E379 V381 D399P65-Y82 HydrophobicContact CB-CD1 4.36Å; Y82-E84 PolarHBondContact O-N 3.17Å; Y82-N85 WeakPolarHBondContact O-CB 3.4Å; Y82-N85 PolarHBondContact O-N 3.46Å; Y82-H86 PolarHBondContact O-CD2 3.03Å; Y82-H86 PolarHBondContact O-N 3.46Å; Y82-H316 HydrophobicContact CD1-CB 3.92Å; Y82-H316 AromaticContact CD1-CD2 3.85Å; Y82-H316 HydrophobicContact CD2-CB 3.98Å; Y82-H316 AromaticContact CD2-CD2 3.94Å; Y82-H316 AromaticContact CD2-CG 3.69Å; Y82-H316 AromaticContact CE1-CD2 3.64Å; Y82-H316 AromaticContact CE2-CD2 3.71Å; Y82-H316 AromaticContact CE2-CG 3.91Å; Y82-H316 AromaticContact CE2-NE2 3.82Å; Y82-H316 HydrophobicContact CG-CB 3.58Å; Y82-H316 AromaticContact CG-CG 3.75Å; Y82-H316 AromaticContact CZ-CD2 3.56Å; Y82-H316 AromaticContact CZ-NE2 3.79Å; Y82-E379 PolarHBondContact OH-OE2 2.83Å; Y82-V381 HydrophobicContact CE1-CB 4.36Å; Y82-V381 HydrophobicContact CE1-CG1 4.27Å; Y82-V381 HydrophobicContact CE1-CG2 4.5Å; Y82-D399 HydrophobicContact CD2-CB 3.62Å; Y82-D399 WeakPolarHBondContact CD2-OD2 3.48Å; Y82-D399 HydrophobicContact CE2-CB 3.73Å; Y82-D399 PolarHBondContact N-OD2 3.45Å
83I98.6Very high98.6Very high0 Ų010.1 Ų10.10%05%0.046CC..Hα-helixtrans-62.4-41.3-170.5-71.2169.5000112.8P65 Y66 L67 P72 N85 H86 G87 I89 F317P65-I83 HydrophobicContact CB-CD1 3.79Å; P65-I83 HydrophobicContact CB-CG1 3.97Å; P65-I83 HydrophobicContact CG-CD1 3.67Å; P65-I83 HydrophobicContact CG-CG1 3.99Å; Y66-I83 VanDerWaalsContact C-CD1 3.44Å; Y66-I83 WeakPolarHBondContact O-CD1 3.28Å; L67-I83 VanDerWaalsContact N-CD1 3.34Å; L67-I83 WeakPolarHBondContact O-CD1 3.29Å; P72-I83 HydrophobicContact CB-CD1 3.36Å; P72-I83 HydrophobicContact CB-CG1 3.68Å; P72-I83 HydrophobicContact CB-CG2 4.16Å; I83-N85 PolarHBondContact O-N 2.89Å; I83-H86 VanDerWaalsContact CA-CE1 3.43Å; I83-H86 WeakPolarHBondContact CA-CE1 3.46Å; I83-H86 PolarHBondContact O-N 3.08Å; I83-H86 PolarHBondContact O-ND1 3.11Å; I83-G87 PolarHBondContact O-N 3.04Å; I83-I89 HydrophobicContact CG2-CB 4.12Å; I83-I89 HydrophobicContact CG2-CG2 3.96Å; I83-F317 HydrophobicContact CB-CD2 4.21Å; I83-F317 HydrophobicContact CG2-CD2 3.74Å; I83-F317 HydrophobicContact CG2-CE2 3.61Å
84E97.9Very high98.6Very high21 Ų2111 Ų1110%0.0985%0.049CC..Hα-helixtrans-62.1-32.1175.169.1-173.5-172.800112.8Y82 H316 F317 S318 N319 N320Y82-E84 PolarHBondContact O-N 3.17Å; E84-H316 WeakPolarHBondContact CB-O 3.41Å; E84-H316 VanDerWaalsContact CD-O 3.24Å; E84-H316 HydrophobicContact CG-CB 4.46Å; E84-H316 WeakPolarHBondContact CG-O 3.26Å; E84-H316 PolarHBondContact N-O 2.69Å; E84-H316 IonicContact OE1-ND1 2.66Å; E84-F317 PolarHBondContact OE2-N 3.05Å; E84-S318 PolarHBondContact OE2-N 3.11Å; E84-N319 HydrophobicContact CB-CB 4.48Å; E84-N319 HydrophobicContact CG-CB 4.34Å; E84-N319 WeakPolarHBondContact OE2-CB 3.35Å; E84-N319 PolarHBondContact OE2-N 3.13Å; E84-N320 HydrophobicContact CB-CB 4.24Å; E84-N320 WeakPolarHBondContact O-CB 3.29Å; E84-N320 PolarHBondContact O-ND2 2.98Å
85N98.4Very high98.5Very high45 Ų4513.6 Ų13.624%0.2416%0.063CC..Hα-helixtrans-84.9-25.1-174.6-76.7-25.3000113.6R81 Y82 I83 D399R81-N85 HydrophobicContact CB-CB 4.13Å; R81-N85 PolarHBondContact NE-O 3.15Å; R81-N85 PolarHBondContact NH2-O 3.27Å; Y82-N85 WeakPolarHBondContact O-CB 3.4Å; Y82-N85 PolarHBondContact O-N 3.46Å; I83-N85 PolarHBondContact O-N 2.89Å; N85-D399 VanDerWaalsContact ND2-CG 3.32Å; N85-D399 PolarHBondContact ND2-OD1 3.16Å; N85-D399 PolarHBondContact ND2-OD2 2.87Å
86H98.3Very high98.5Very high0 Ų016.1 Ų16.10%08%0.079CC..Hα-helixtrans-104.1-4.4177.167.743.3000114.6P72 F75 T76 R81 Y82 I83 V88 N116 T118P72-H86 PolarHBondContact O-CE1 3.45Å; P72-H86 PolarHBondContact O-NE2 3.11Å; F75-H86 HydrophobicContact CD1-CB 3.82Å; F75-H86 AromaticContact CD1-CG 3.7Å; F75-H86 AromaticContact CD1-ND1 3.88Å; F75-H86 HydrophobicContact CE1-CB 3.99Å; T76-H86 PolarHBondContact N-NE2 2.99Å; T76-H86 PolarHBondContact OG1-CD2 2.94Å; T76-H86 PolarHBondContact OG1-NE2 3.39Å; R81-H86 HydrophobicContact CB-CB 3.95Å; R81-H86 PolarHBondContact O-CD2 3.22Å; Y82-H86 PolarHBondContact O-CD2 3.03Å; Y82-H86 PolarHBondContact O-N 3.46Å; I83-H86 VanDerWaalsContact CA-CE1 3.43Å; I83-H86 WeakPolarHBondContact CA-CE1 3.46Å; I83-H86 PolarHBondContact O-N 3.08Å; I83-H86 PolarHBondContact O-ND1 3.11Å; H86-V88 PolarHBondContact CE1-O 3.07Å; H86-V88 VanDerWaalsContact CE1-O 3.24Å; H86-V88 PolarHBondContact ND1-N 2.99Å; H86-V88 PolarHBondContact O-N 2.9Å; H86-N116 VanDerWaalsContact O-CG 3.25Å; H86-N116 PolarHBondContact O-ND2 2.94Å; H86-N116 PolarHBondContact O-OD1 2.94Å; H86-T118 WeakPolarHBondContact CA-OG1 3.48Å; H86-T118 HydrophobicContact CB-CG2 3.97Å
87G98.2Very high98.4Very high2 Ų220.5 Ų20.52%0.02112%0.115CC..  trans72.5-13.8168.600000117.9I83 I89 N320 R322I83-G87 PolarHBondContact O-N 3.04Å; G87-I89 VanDerWaalsContact C-N 3.27Å; G87-I89 PolarHBondContact O-N 2.95Å; G87-N320 WeakPolarHBondContact CA-ND2 3.4Å; G87-R322 VanDerWaalsContact O-CD 3.25Å; G87-R322 WeakPolarHBondContact O-CD 3.45Å; G87-R322 PolarHBondContact O-NH1 2.85Å
88V98.6Very high98.3Very high0 Ų024.7 Ų24.70%014%0.141CC..  trans-74.579.7167.7-1760000109.2P72 F75 H86 W114P72-V88 VanDerWaalsContact CA-O 3.32Å; P72-V88 WeakPolarHBondContact CA-O 3.33Å; P72-V88 WeakPolarHBondContact CB-O 3.45Å; P72-V88 WeakPolarHBondContact CG-O 3.48Å; F75-V88 HydrophobicContact CB-CB 4.28Å; F75-V88 HydrophobicContact CB-CG2 4.34Å; F75-V88 HydrophobicContact CD1-CB 4Å; F75-V88 HydrophobicContact CD1-CG2 3.43Å; F75-V88 VanDerWaalsContact CD1-CG2 3.43Å; F75-V88 HydrophobicContact CE1-CG2 3.79Å; F75-V88 HydrophobicContact CG-CB 4.36Å; F75-V88 HydrophobicContact CG-CG2 3.9Å; H86-V88 PolarHBondContact CE1-O 3.07Å; H86-V88 VanDerWaalsContact CE1-O 3.24Å; H86-V88 PolarHBondContact ND1-N 2.99Å; H86-V88 PolarHBondContact O-N 2.9Å; V88-W114 HydrophobicContact CG1-CE3 4.15Å; V88-W114 HydrophobicContact CG1-CH2 4.29Å; V88-W114 HydrophobicContact CG1-CZ3 3.91Å; V88-W114 HydrophobicContact CG2-CD2 4.3Å; V88-W114 HydrophobicContact CG2-CE3 3.78Å; V88-W114 HydrophobicContact CG2-CZ3 4.32Å
89I98.1Very high98.2Very high0 Ų028 Ų280%016%0.164CC..  trans-88.2-5.9-169.864.3153.1000115.1I83 G87 F94 W113 M281 F317 N320 R322 I323I83-I89 HydrophobicContact CG2-CB 4.12Å; I83-I89 HydrophobicContact CG2-CG2 3.96Å; G87-I89 VanDerWaalsContact C-N 3.27Å; G87-I89 PolarHBondContact O-N 2.95Å; I89-F94 HydrophobicContact CD1-CE1 4.35Å; I89-F94 HydrophobicContact CD1-CZ 4.18Å; I89-W113 HydrophobicContact CG1-CH2 3.84Å; I89-W113 HydrophobicContact CG1-CZ2 4.11Å; I89-M281 HydrophobicContact CD1-CE 4.11Å; I89-M281 HydrophobicContact CD1-SD 4.33Å; I89-F317 HydrophobicContact CB-CE2 4.09Å; I89-F317 HydrophobicContact CB-CZ 4.36Å; I89-F317 HydrophobicContact CG2-CE2 4.45Å; I89-N320 HydrophobicContact CG2-CB 4.4Å; I89-R322 HydrophobicContact CD1-CB 3.41Å; I89-R322 VanDerWaalsContact CD1-CB 3.41Å; I89-R322 WeakPolarHBondContact CD1-O 3.46Å; I89-R322 HydrophobicContact CG1-CB 3.83Å; I89-I323 HydrophobicContact CD1-CG1 3.91Å; I89-I323 HydrophobicContact CG2-CG1 4.17Å
90H98.5Very high98.2Very high5 Ų532.1 Ų32.12%0.02318%0.183CC..SBendtrans-157.9159.1-177.7-157.5-92.1000111.6M92 W113 L273 Y276H90-M92 WeakPolarHBondContact ND1-CB 3.48Å; H90-M92 PolarHBondContact ND1-N 3.43Å; H90-M92 PolarHBondContact O-N 2.9Å; H90-W113 HydrophobicContact CB-CZ2 4.09Å; H90-W113 PolarHBondContact O-NE1 3.47Å; H90-L273 VanDerWaalsContact NE2-CD2 3.28Å; H90-L273 WeakPolarHBondContact NE2-CD2 3.27Å; H90-Y276 AromaticContact CE1-CD1 3.29Å; H90-Y276 WeakPolarHBondContact CE1-CD1 3.48Å; H90-Y276 AromaticContact CE1-CE1 3.48Å; H90-Y276 VanDerWaalsContact CE1-CE1 3.48Å; H90-Y276 WeakPolarHBondContact CE1-CE1 3.45Å; H90-Y276 AromaticContact CE1-CG 3.85Å; H90-Y276 AromaticContact NE2-CD1 3.48Å; H90-Y276 WeakPolarHBondContact NE2-CD1 3.46Å; H90-Y276 AromaticContact NE2-CE1 3.91Å
91N98.3Very high98.1Very high4 Ų436.1 Ų36.12%0.02120%0.2CC..SBendtrans-63.1-17.6167.9-91.4-10000113.6V69 S71 Y104 T107 Y276V69-N91 HydrophobicContact CG1-CB 3.93Å; V69-N91 VanDerWaalsContact CG1-ND2 3.27Å; V69-N91 WeakPolarHBondContact CG1-ND2 3.29Å; S71-N91 WeakPolarHBondContact CA-OD1 3.41Å; S71-N91 WeakPolarHBondContact CB-OD1 3.49Å; S71-N91 PolarHBondContact N-OD1 3.4Å; S71-N91 PolarHBondContact OG-OD1 2.95Å; N91-Y104 HydrophobicContact CB-CD2 4.42Å; N91-Y104 WeakPolarHBondContact O-CA 3.37Å; N91-T107 PolarHBondContact O-OG1 3.38Å; N91-Y276 HydrophobicContact CB-CE1 4.13Å; N91-Y276 VanDerWaalsContact CB-OH 3.23Å; N91-Y276 WeakPolarHBondContact CB-OH 3.46Å; N91-Y276 PolarHBondContact ND2-OH 3.07Å
92M98.4Very high98.1Very high29 Ų2936.5 Ų36.514%0.14320%0.203CC..SBendtrans-115.5123.5-174.9-62.4178.865.300108.6H90 F94 K101 K102 W113 Y276H90-M92 WeakPolarHBondContact ND1-CB 3.48Å; H90-M92 PolarHBondContact ND1-N 3.43Å; H90-M92 PolarHBondContact O-N 2.9Å; M92-F94 WeakPolarHBondContact O-CD1 3.42Å; M92-K101 HydrophobicContact CE-CB 3.79Å; M92-K101 HydrophobicContact CE-CD 4.18Å; M92-K101 HydrophobicContact CE-CG 4.47Å; M92-K102 VanDerWaalsContact CA-O 3.24Å; M92-K102 WeakPolarHBondContact CA-O 3.35Å; M92-K102 WeakPolarHBondContact CB-O 3.36Å; M92-K102 WeakPolarHBondContact CG-O 3.35Å; M92-W113 WeakPolarHBondContact O-CZ2 3.48Å; M92-Y276 HydrophobicContact CG-CE2 4.38Å; M92-Y276 HydrophobicContact SD-CD2 3.79Å; M92-Y276 HydrophobicContact SD-CE2 4Å; M92-Y276 HydrophobicContact SD-CG 4.35Å
93W98.5Very high98.1Very high22 Ų2236.3 Ų36.38%0.08321%0.211CC..  trans-68.4141.316017595000108.8N95 E100 K101 K102 T107 V110 W113W93-N95 HydrophobicContact CH2-CB 3.65Å; W93-N95 HydrophobicContact CZ2-CB 3.95Å; W93-N95 HydrophobicContact CZ3-CB 4.26Å; W93-E100 HydrophobicContact CH2-CB 4.4Å; W93-E100 HydrophobicContact CH2-CG 4.49Å; W93-E100 WeakPolarHBondContact CH2-OE2 3.35Å; W93-E100 HydrophobicContact CZ3-CB 3.93Å; W93-E100 HydrophobicContact CZ3-CG 3.78Å; W93-E100 WeakPolarHBondContact CZ3-OE2 3.47Å; W93-K101 WeakPolarHBondContact O-CA 3.45Å; W93-K102 HydrophobicContact CB-CB 4.39Å; W93-K102 HydrophobicContact CD2-CD 4.32Å; W93-K102 HydrophobicContact CE3-CB 4.19Å; W93-K102 HydrophobicContact CE3-CD 3.65Å; W93-K102 HydrophobicContact CE3-CG 3.83Å; W93-K102 HydrophobicContact CZ3-CD 4.07Å; W93-K102 HydrophobicContact CZ3-CG 4.27Å; W93-K102 PolarHBondContact O-N 2.94Å; W93-T107 HydrophobicContact CB-CG2 3.84Å; W93-T107 PolarHBondContact N-OG1 2.79Å; W93-V110 HydrophobicContact CB-CB 4.48Å; W93-V110 HydrophobicContact CB-CG2 4.31Å; W93-V110 VanDerWaalsContact CD1-CG1 3.41Å; W93-V110 HydrophobicContact CD2-CG1 4.18Å; W93-V110 HydrophobicContact CG-CB 4.26Å; W93-V110 HydrophobicContact CG-CG1 3.83Å; W93-V110 HydrophobicContact CG-CG2 4.23Å; W93-W113 HydrophobicContact CB-CD2 4.11Å; W93-W113 HydrophobicContact CB-CE3 4.27Å; W93-W113 HydrophobicContact CB-CG 4.3Å; W93-W113 AromaticContact CD1-CD2 3.88Å; W93-W113 AromaticContact CD1-CE3 3.42Å; W93-W113 VanDerWaalsContact CD1-CE3 3.42Å; W93-W113 HydrophobicContact CG-CD2 4.4Å; W93-W113 HydrophobicContact CG-CE3 4.14Å
94F98.6Very high98Very high18 Ų1838.4 Ų38.48%0.07922%0.22CC..EExtended strand (participates in β ladder)trans-146157.3174.561.1-92000111.8I89 M92 T96 E100 K101 W113 F271 L273 M281 R322 L324I89-F94 HydrophobicContact CD1-CE1 4.35Å; I89-F94 HydrophobicContact CD1-CZ 4.18Å; M92-F94 WeakPolarHBondContact O-CD1 3.42Å; F94-T96 HydrophobicContact CD2-CG2 3.96Å; F94-T96 HydrophobicContact CE2-CG2 3.88Å; F94-E100 VanDerWaalsContact CA-O 3.26Å; F94-E100 WeakPolarHBondContact CA-O 3.49Å; F94-K101 HydrophobicContact CB-CG 4.19Å; F94-W113 HydrophobicContact CD1-CH2 4.1Å; F94-W113 AromaticContact CE1-CH2 3.81Å; F94-W113 HydrophobicContact CE1-CH2 3.81Å; F94-F271 HydrophobicContact CB-CE1 4.45Å; F94-F271 HydrophobicContact CB-CE2 4.37Å; F94-F271 HydrophobicContact CB-CZ 3.65Å; F94-F271 AromaticContact CD2-CE1 3.7Å; F94-F271 HydrophobicContact CD2-CE1 3.7Å; F94-F271 AromaticContact CD2-CZ 3.68Å; F94-F271 HydrophobicContact CD2-CZ 3.68Å; F94-F271 HydrophobicContact CE2-CE1 4.18Å; F94-F271 HydrophobicContact CG-CE1 4.14Å; F94-F271 AromaticContact CG-CZ 3.83Å; F94-F271 HydrophobicContact CG-CZ 3.83Å; F94-L273 HydrophobicContact CB-CD1 4.44Å; F94-L273 HydrophobicContact CD1-CD1 3.5Å; F94-L273 HydrophobicContact CE1-CD1 3.93Å; F94-L273 HydrophobicContact CG-CD1 4.07Å; F94-M281 HydrophobicContact CE1-CE 4.06Å; F94-M281 HydrophobicContact CZ-CE 4.15Å; F94-R322 WeakPolarHBondContact CZ-O 3.37Å; F94-L324 HydrophobicContact CE2-CD2 4.04Å; F94-L324 HydrophobicContact CZ-CD2 4.47Å
95N98Very high97.9Very high55 Ų5540.1 Ų40.129%0.29423%0.225SC..EExtended strand (participates in β ladder)trans-126.8115.1172.6-178.8-34.3000109.4W93 A97 T98 S99 E100W93-N95 HydrophobicContact CH2-CB 3.65Å; W93-N95 HydrophobicContact CZ2-CB 3.95Å; W93-N95 HydrophobicContact CZ3-CB 4.26Å; N95-A97 VanDerWaalsContact C-N 3.28Å; N95-A97 PolarHBondContact O-N 3.16Å; N95-A97 WeakPolarHBondContact OD1-CA 3.39Å; N95-A97 WeakPolarHBondContact OD1-CB 3.2Å; N95-A97 PolarHBondContact OD1-N 2.97Å; N95-T98 WeakPolarHBondContact CB-OG1 3.47Å; N95-T98 PolarHBondContact O-N 2.84Å; N95-T98 PolarHBondContact OD1-N 3.09Å; N95-T98 VanDerWaalsContact OD1-N 3.15Å; N95-S99 VanDerWaalsContact O-CA 3.26Å; N95-S99 WeakPolarHBondContact O-CA 3.47Å; N95-S99 PolarHBondContact O-N 3.04Å; N95-E100 PolarHBondContact N-O 3.09Å; N95-E100 PolarHBondContact O-N 3.33Å
96T98Very high97.9Very high54 Ų5442.3 Ų42.333%0.33123%0.234SC..THydrogen-bonded Turntrans-70-23.8-176.655.90000113.5F94 F271 L283 L324F94-T96 HydrophobicContact CD2-CG2 3.96Å; F94-T96 HydrophobicContact CE2-CG2 3.88Å; T96-F271 HydrophobicContact CG2-CB 4.35Å; T96-F271 HydrophobicContact CG2-CD1 3.83Å; T96-F271 HydrophobicContact CG2-CE1 4.25Å; T96-F271 HydrophobicContact CG2-CG 3.97Å; T96-L283 HydrophobicContact CG2-CD2 4.11Å; T96-L324 HydrophobicContact CG2-CD2 3.72Å
97A97.2Very high97.9Very high91 Ų9142.3 Ų42.375%0.75223%0.234SC*.THydrogen-bonded Turntrans-79.1-36.1178.200000112.2N95N95-A97 VanDerWaalsContact C-N 3.28Å; N95-A97 PolarHBondContact O-N 3.16Å; N95-A97 WeakPolarHBondContact OD1-CA 3.39Å; N95-A97 WeakPolarHBondContact OD1-CB 3.2Å; N95-A97 PolarHBondContact OD1-N 2.97Å
98T97.3Very high97.9Very high89 Ų8942.2 Ų42.255%0.54623%0.233SC..THydrogen-bonded Turntrans-98.4-10.1179.864.20000113.5N95 E100N95-T98 WeakPolarHBondContact CB-OG1 3.47Å; N95-T98 PolarHBondContact O-N 2.84Å; N95-T98 PolarHBondContact OD1-N 3.09Å; N95-T98 VanDerWaalsContact OD1-N 3.15Å; T98-E100 PolarHBondContact O-N 3.15Å; T98-E100 WeakPolarHBondContact OG1-CB 3.34Å; T98-E100 PolarHBondContact OG1-N 3.23Å
99S96.7Very high97.8Very high69 Ų6947 Ų4748%0.48325%0.254SS..THydrogen-bonded Turntrans60.312.8-169.5-58.10000115.1N95N95-S99 VanDerWaalsContact O-CA 3.26Å; N95-S99 WeakPolarHBondContact O-CA 3.47Å; N95-S99 PolarHBondContact O-N 3.04Å
100E98.1Very high97.8Very high89 Ų8947.4 Ų47.442%0.41626%0.256SS..EExtended strand (participates in β ladder)trans-69.1142.3176.8-166.6-173.8174.100110.6W93 F94 N95 T98 K102W93-E100 HydrophobicContact CH2-CB 4.4Å; W93-E100 HydrophobicContact CH2-CG 4.49Å; W93-E100 WeakPolarHBondContact CH2-OE2 3.35Å; W93-E100 HydrophobicContact CZ3-CB 3.93Å; W93-E100 HydrophobicContact CZ3-CG 3.78Å; W93-E100 WeakPolarHBondContact CZ3-OE2 3.47Å; F94-E100 VanDerWaalsContact CA-O 3.26Å; F94-E100 WeakPolarHBondContact CA-O 3.49Å; N95-E100 PolarHBondContact N-O 3.09Å; N95-E100 PolarHBondContact O-N 3.33Å; T98-E100 PolarHBondContact O-N 3.15Å; T98-E100 WeakPolarHBondContact OG1-CB 3.34Å; T98-E100 PolarHBondContact OG1-N 3.23Å; E100-K102 WeakPolarHBondContact OE1-CE 3.5Å; E100-K102 IonicContact OE1-NZ 3.54Å
101K98.3Very high97.7Very high84 Ų8450.2 Ų50.237%0.36527%0.272SS..EExtended strand (participates in β ladder)trans-137.3135.4175-64.1179-171.6175.10109.2M92 W93 F94 F271 Q272M92-K101 HydrophobicContact CE-CB 3.79Å; M92-K101 HydrophobicContact CE-CD 4.18Å; M92-K101 HydrophobicContact CE-CG 4.47Å; W93-K101 WeakPolarHBondContact O-CA 3.45Å; F94-K101 HydrophobicContact CB-CG 4.19Å; K101-F271 HydrophobicContact CD-CZ 4.47Å; K101-F271 HydrophobicContact CG-CE2 4.25Å; K101-F271 HydrophobicContact CG-CZ 4.15Å; K101-Q272 WeakPolarHBondContact CE-O 3.43Å; K101-Q272 PolarHBondContact NZ-O 2.77Å
102K98.3Very high97.6Very high58 Ų5855 Ų5525%0.25229%0.294SS..  trans-114.3135.7175-72174.7-174.2170.60108.8M92 W93 E100 Q106 T107 V110M92-K102 VanDerWaalsContact CA-O 3.24Å; M92-K102 WeakPolarHBondContact CA-O 3.35Å; M92-K102 WeakPolarHBondContact CB-O 3.36Å; M92-K102 WeakPolarHBondContact CG-O 3.35Å; W93-K102 HydrophobicContact CB-CB 4.39Å; W93-K102 HydrophobicContact CD2-CD 4.32Å; W93-K102 HydrophobicContact CE3-CB 4.19Å; W93-K102 HydrophobicContact CE3-CD 3.65Å; W93-K102 HydrophobicContact CE3-CG 3.83Å; W93-K102 HydrophobicContact CZ3-CD 4.07Å; W93-K102 HydrophobicContact CZ3-CG 4.27Å; W93-K102 PolarHBondContact O-N 2.94Å; E100-K102 WeakPolarHBondContact OE1-CE 3.5Å; E100-K102 IonicContact OE1-NZ 3.54Å; K102-Q106 HydrophobicContact CB-CB 3.96Å; K102-Q106 HydrophobicContact CG-CB 4.31Å; K102-T107 PolarHBondContact O-OG1 3.15Å; K102-T107 VanDerWaalsContact O-OG1 3.11Å; K102-V110 HydrophobicContact CD-CG2 3.59Å
103G97.3Very high97.6Very high28 Ų2853.9 Ų53.929%0.28929%0.288SS..  trans-67.3175.7176.300000112.1Y105 Q106 T107G103-Y105 PolarHBondContact O-N 3.01Å; G103-Q106 PolarHBondContact O-N 2.77Å; G103-T107 VanDerWaalsContact O-CB 3.31Å; G103-T107 WeakPolarHBondContact O-CB 3.36Å; G103-T107 PolarHBondContact O-N 3.21Å; G103-T107 PolarHBondContact O-OG1 3.01Å
104Y96.6Very high97.6Very high44 Ų4452.8 Ų52.817%0.17328%0.284CS..Hα-helixtrans-45.5-56.4179.4169-99.8000113T70 S71 N91 Q106 T107 Q108 P138T70-Y104 HydrophobicContact CG2-CE2 4.04Å; S71-Y104 WeakPolarHBondContact OG-CE2 3.31Å; N91-Y104 HydrophobicContact CB-CD2 4.42Å; N91-Y104 WeakPolarHBondContact O-CA 3.37Å; Y104-Q106 PolarHBondContact O-N 3.45Å; Y104-T107 WeakPolarHBondContact O-CB 3.4Å; Y104-T107 PolarHBondContact O-N 3.48Å; Y104-Q108 PolarHBondContact O-N 3.32Å; Y104-P138 HydrophobicContact CE2-CG 4.49Å
105Y96.8Very high97.6Very high57 Ų5754.1 Ų54.122%0.22429%0.292CS..Hα-helixtrans-61.7-49.3-176.7-179.5-93.7000112.6G103 T107 Q108 F109 E155 N157G103-Y105 PolarHBondContact O-N 3.01Å; Y105-T107 PolarHBondContact O-N 3.01Å; Y105-Q108 WeakPolarHBondContact O-CB 3.43Å; Y105-Q108 PolarHBondContact O-N 3.26Å; Y105-F109 HydrophobicContact CD1-CE2 4.1Å; Y105-F109 HydrophobicContact CD2-CE2 4.47Å; Y105-F109 HydrophobicContact CE1-CD2 4.35Å; Y105-F109 AromaticContact CE1-CE2 3.58Å; Y105-F109 HydrophobicContact CE1-CE2 3.58Å; Y105-F109 HydrophobicContact CE1-CZ 4.32Å; Y105-F109 HydrophobicContact CE2-CE2 4Å; Y105-F109 HydrophobicContact CE2-CZ 4.39Å; Y105-F109 AromaticContact CZ-CE2 3.54Å; Y105-F109 AromaticContact CZ-CZ 3.91Å; Y105-F109 WeakPolarHBondContact O-CD2 3.48Å; Y105-E155 HydrophobicContact CE2-CG 4.47Å; Y105-E155 VanDerWaalsContact CE2-O 3.3Å; Y105-E155 WeakPolarHBondContact CE2-O 3.3Å; Y105-N157 HydrophobicContact CD1-CB 4.02Å; Y105-N157 WeakPolarHBondContact CD1-OD1 3.41Å; Y105-N157 HydrophobicContact CE1-CB 3.59Å; Y105-N157 WeakPolarHBondContact CE1-OD1 3.34Å; Y105-N157 VanDerWaalsContact CE2-CA 3.47Å; Y105-N157 HydrophobicContact CE2-CB 4.16Å; Y105-N157 HydrophobicContact CG-CB 4.46Å; Y105-N157 VanDerWaalsContact CZ-CA 3.48Å; Y105-N157 PolarHBondContact OH-N 2.63Å
106Q97.9Very high97.4Very high91 Ų9154 Ų5443%0.42529%0.291SS..Hα-helixtrans-65.9-31.3-178.3-65.179.718.100111.9K102 G103 Y104 Q108 F109K102-Q106 HydrophobicContact CB-CB 3.96Å; K102-Q106 HydrophobicContact CG-CB 4.31Å; G103-Q106 PolarHBondContact O-N 2.77Å; Y104-Q106 PolarHBondContact O-N 3.45Å; Q106-Q108 VanDerWaalsContact C-N 3.26Å; Q106-Q108 PolarHBondContact O-N 3.49Å; Q106-F109 PolarHBondContact O-N 3.41Å
107T98.4Very high97.3Very high0 Ų054.1 Ų54.10%030%0.304CS..Hα-helixtrans-62.7-32.1178.6-64.20000112.3N91 W93 K102 G103 Y104 Y105 F109 V110 W113 W114N91-T107 PolarHBondContact O-OG1 3.38Å; W93-T107 HydrophobicContact CB-CG2 3.84Å; W93-T107 PolarHBondContact N-OG1 2.79Å; K102-T107 PolarHBondContact O-OG1 3.15Å; K102-T107 VanDerWaalsContact O-OG1 3.11Å; G103-T107 VanDerWaalsContact O-CB 3.31Å; G103-T107 WeakPolarHBondContact O-CB 3.36Å; G103-T107 PolarHBondContact O-N 3.21Å; G103-T107 PolarHBondContact O-OG1 3.01Å; Y104-T107 WeakPolarHBondContact O-CB 3.4Å; Y104-T107 PolarHBondContact O-N 3.48Å; Y105-T107 PolarHBondContact O-N 3.01Å; T107-F109 PolarHBondContact O-N 3.04Å; T107-F109 VanDerWaalsContact O-N 3.13Å; T107-V110 PolarHBondContact O-N 2.99Å; T107-W113 HydrophobicContact CG2-CG 4Å; T107-W114 HydrophobicContact CG2-CZ2 4.43Å; T107-W114 PolarHBondContact O-NE1 3Å
108Q97.3Very high97.3Very high0 Ų050.2 Ų50.20%027%0.271CS..Hα-helixtrans-56.8-31176.6-62.1-166.954.500112.7Y104 Y105 Q106 W114 A141 E155Y104-Q108 PolarHBondContact O-N 3.32Å; Y105-Q108 WeakPolarHBondContact O-CB 3.43Å; Y105-Q108 PolarHBondContact O-N 3.26Å; Q106-Q108 VanDerWaalsContact C-N 3.26Å; Q106-Q108 PolarHBondContact O-N 3.49Å; Q108-W114 HydrophobicContact CG-CZ2 4.28Å; Q108-W114 PolarHBondContact O-NE1 2.87Å; Q108-A141 HydrophobicContact CB-CB 3.94Å; Q108-A141 VanDerWaalsContact O-CB 3.26Å; Q108-A141 WeakPolarHBondContact O-CB 3.32Å; Q108-E155 PolarHBondContact NE2-OE1 3.37Å
109F97.5Very high97.4Very high100 Ų10046.7 Ų46.744%0.43925%0.248SC..THydrogen-bonded Turntrans-92.86.8-177.9-57.2-86.2000114Y105 Q106 T107 N111 A141 V154Y105-F109 HydrophobicContact CD1-CE2 4.1Å; Y105-F109 HydrophobicContact CD2-CE2 4.47Å; Y105-F109 HydrophobicContact CE1-CD2 4.35Å; Y105-F109 AromaticContact CE1-CE2 3.58Å; Y105-F109 HydrophobicContact CE1-CE2 3.58Å; Y105-F109 HydrophobicContact CE1-CZ 4.32Å; Y105-F109 HydrophobicContact CE2-CE2 4Å; Y105-F109 HydrophobicContact CE2-CZ 4.39Å; Y105-F109 AromaticContact CZ-CE2 3.54Å; Y105-F109 AromaticContact CZ-CZ 3.91Å; Y105-F109 WeakPolarHBondContact O-CD2 3.48Å; Q106-F109 PolarHBondContact O-N 3.41Å; T107-F109 PolarHBondContact O-N 3.04Å; T107-F109 VanDerWaalsContact O-N 3.13Å; F109-N111 PolarHBondContact O-N 3.02Å; F109-A141 HydrophobicContact CD1-CB 3.8Å; F109-A141 HydrophobicContact CE1-CB 3.79Å; F109-A141 HydrophobicContact CG-CB 4.29Å; F109-A141 HydrophobicContact CZ-CB 4.27Å; F109-V154 HydrophobicContact CE1-CG1 4.48Å; F109-V154 HydrophobicContact CE2-CG1 4.43Å; F109-V154 HydrophobicContact CZ-CB 4.43Å; F109-V154 HydrophobicContact CZ-CG1 3.79Å
110V98.1Very high97.5Very high8 Ų843.4 Ų43.45%0.04823%0.225CC..  trans-96.791.7177.6-173.20000109.2W93 K102 T107 E112 W113 W114W93-V110 HydrophobicContact CB-CB 4.48Å; W93-V110 HydrophobicContact CB-CG2 4.31Å; W93-V110 VanDerWaalsContact CD1-CG1 3.41Å; W93-V110 HydrophobicContact CD2-CG1 4.18Å; W93-V110 HydrophobicContact CG-CB 4.26Å; W93-V110 HydrophobicContact CG-CG1 3.83Å; W93-V110 HydrophobicContact CG-CG2 4.23Å; K102-V110 HydrophobicContact CD-CG2 3.59Å; T107-V110 PolarHBondContact O-N 2.99Å; V110-E112 VanDerWaalsContact C-N 3.31Å; V110-E112 HydrophobicContact CG1-CG 4.01Å; V110-E112 VanDerWaalsContact CG1-OE1 3.26Å; V110-E112 WeakPolarHBondContact CG1-OE1 2.97Å; V110-E112 WeakPolarHBondContact CG1-OE2 3.43Å; V110-E112 PolarHBondContact O-N 3.17Å; V110-W113 HydrophobicContact CB-CB 4.27Å; V110-W113 HydrophobicContact CG1-CB 4.34Å; V110-W113 WeakPolarHBondContact O-CB 3.5Å; V110-W113 PolarHBondContact O-N 3.49Å; V110-W114 VanDerWaalsContact O-CD1 3.29Å
111N96.8Very high97.5Very high64 Ų6439.1 Ų39.134%0.34221%0.205SC..Hα-helixtrans-53.1-45.7-171-79.1-16.8000113F109 W113 W114 D115 S142 S143F109-N111 PolarHBondContact O-N 3.02Å; N111-W113 PolarHBondContact O-N 2.99Å; N111-W113 VanDerWaalsContact O-N 3.09Å; N111-W114 PolarHBondContact O-N 3.22Å; N111-D115 WeakPolarHBondContact O-CB 3.45Å; N111-D115 PolarHBondContact O-N 3.42Å; N111-S142 WeakPolarHBondContact CA-OG 3.41Å; N111-S142 WeakPolarHBondContact OD1-CA 3.44Å; N111-S142 PolarHBondContact OD1-OG 3.03Å; N111-S143 PolarHBondContact ND2-OG 3.09Å; N111-S143 PolarHBondContact OD1-N 2.78Å; N111-S143 VanDerWaalsContact OD1-N 3.14Å
112E96.5Very high97.5Very high105 Ų10535.2 Ų35.249%0.49119%0.188SC..Hα-helixtrans-63.2-18.6-178.766.9-87.4-157.800113.5V110 R322V110-E112 VanDerWaalsContact C-N 3.31Å; V110-E112 HydrophobicContact CG1-CG 4.01Å; V110-E112 VanDerWaalsContact CG1-OE1 3.26Å; V110-E112 WeakPolarHBondContact CG1-OE1 2.97Å; V110-E112 WeakPolarHBondContact CG1-OE2 3.43Å; V110-E112 PolarHBondContact O-N 3.17Å; E112-R322 PolarHBondContact O-NH2 3Å
113W98.2Very high97.5Very high5 Ų532.5 Ų32.52%0.01918%0.176CC..Hα-helixtrans-67.2-45.1173.5-163.9-118.3000111I89 H90 M92 W93 F94 T107 V110 N111 N116 R322I89-W113 HydrophobicContact CG1-CH2 3.84Å; I89-W113 HydrophobicContact CG1-CZ2 4.11Å; H90-W113 HydrophobicContact CB-CZ2 4.09Å; H90-W113 PolarHBondContact O-NE1 3.47Å; M92-W113 WeakPolarHBondContact O-CZ2 3.48Å; W93-W113 HydrophobicContact CB-CD2 4.11Å; W93-W113 HydrophobicContact CB-CE3 4.27Å; W93-W113 HydrophobicContact CB-CG 4.3Å; W93-W113 AromaticContact CD1-CD2 3.88Å; W93-W113 AromaticContact CD1-CE3 3.42Å; W93-W113 VanDerWaalsContact CD1-CE3 3.42Å; W93-W113 HydrophobicContact CG-CD2 4.4Å; W93-W113 HydrophobicContact CG-CE3 4.14Å; F94-W113 HydrophobicContact CD1-CH2 4.1Å; F94-W113 AromaticContact CE1-CH2 3.81Å; F94-W113 HydrophobicContact CE1-CH2 3.81Å; T107-W113 HydrophobicContact CG2-CG 4Å; V110-W113 HydrophobicContact CB-CB 4.27Å; V110-W113 HydrophobicContact CG1-CB 4.34Å; V110-W113 WeakPolarHBondContact O-CB 3.5Å; V110-W113 PolarHBondContact O-N 3.49Å; N111-W113 PolarHBondContact O-N 2.99Å; N111-W113 VanDerWaalsContact O-N 3.09Å; W113-N116 PolarHBondContact O-ND2 3.4Å; W113-R322 PolarHBondContact O-NH1 2.75Å
114W98.4Very high97.6Very high0 Ų031.1 Ų31.10%016%0.163CC..Hα-helixtrans-93.6-44.3-174.6-50.288.3000112.2F75 V88 T107 Q108 V110 N111 N116 P138 G139 Y144F75-W114 HydrophobicContact CB-CZ3 4.41Å; F75-W114 AromaticContact CD2-CE3 3.91Å; F75-W114 HydrophobicContact CD2-CE3 3.91Å; F75-W114 HydrophobicContact CD2-CZ3 4.21Å; F75-W114 HydrophobicContact CE2-CE3 4.24Å; F75-W114 HydrophobicContact CG-CE3 4.3Å; F75-W114 HydrophobicContact CG-CZ3 4.45Å; V88-W114 HydrophobicContact CG1-CE3 4.15Å; V88-W114 HydrophobicContact CG1-CH2 4.29Å; V88-W114 HydrophobicContact CG1-CZ3 3.91Å; V88-W114 HydrophobicContact CG2-CD2 4.3Å; V88-W114 HydrophobicContact CG2-CE3 3.78Å; V88-W114 HydrophobicContact CG2-CZ3 4.32Å; T107-W114 HydrophobicContact CG2-CZ2 4.43Å; T107-W114 PolarHBondContact O-NE1 3Å; Q108-W114 HydrophobicContact CG-CZ2 4.28Å; Q108-W114 PolarHBondContact O-NE1 2.87Å; V110-W114 VanDerWaalsContact O-CD1 3.29Å; N111-W114 PolarHBondContact O-N 3.22Å; W114-N116 VanDerWaalsContact C-N 3.28Å; W114-N116 PolarHBondContact O-N 3.32Å; W114-P138 HydrophobicContact CH2-CB 3.77Å; W114-P138 HydrophobicContact CZ3-CB 4.13Å; W114-G139 VanDerWaalsContact CE3-CA 3.44Å; W114-Y144 HydrophobicContact CB-CE1 3.78Å
115D97.6Very high97.7Very high46 Ų4629 Ų2925%0.24615%0.154CC..  trans-81.772176.6-166.112.6000111.1N111 S143 Y144 Q145N111-D115 WeakPolarHBondContact O-CB 3.45Å; N111-D115 PolarHBondContact O-N 3.42Å; D115-S143 WeakPolarHBondContact CB-O 3.46Å; D115-Y144 HydrophobicContact CB-CD1 4.46Å; D115-Q145 VanDerWaalsContact CG-N 3.34Å; D115-Q145 PolarHBondContact OD1-N 3.22Å; D115-Q145 PolarHBondContact OD2-N 2.9Å
116N94.9Very high97.8Very high51 Ų5128 Ų2827%0.27315%0.152SC..SBendtrans-112.620.9-179.562.445.4000112.6H86 W113 W114H86-N116 VanDerWaalsContact O-CG 3.25Å; H86-N116 PolarHBondContact O-ND2 2.94Å; H86-N116 PolarHBondContact O-OD1 2.94Å; W113-N116 PolarHBondContact O-ND2 3.4Å; W114-N116 VanDerWaalsContact C-N 3.28Å; W114-N116 PolarHBondContact O-N 3.32Å
117G95.3Very high97.8Very high58 Ų5828.8 Ų28.860%0.59815%0.151SC*.SBendtrans100.9-5.4-177.300000114.7
118T97.8Very high97.8Very high9 Ų932.6 Ų32.66%0.05517%0.168CC..  trans-98.7133.7173.8-60.80000111.1F75 T79 H86F75-T118 HydrophobicContact CE1-CG2 4Å; F75-T118 HydrophobicContact CZ-CG2 4.37Å; T79-T118 HydrophobicContact CG2-CG2 3.41Å; T79-T118 VanDerWaalsContact CG2-CG2 3.41Å; H86-T118 WeakPolarHBondContact CA-OG1 3.48Å; H86-T118 HydrophobicContact CB-CG2 3.97Å
119L98.4Very high97.8Very high14 Ų1435.8 Ų35.87%0.07320%0.201CC..  trans-104.2126.7179.4-58.8178.9000111I123 Q145 E396L119-I123 HydrophobicContact CD1-CG2 4.37Å; L119-I123 HydrophobicContact CD2-CG2 4.19Å; L119-Q145 HydrophobicContact CD2-CG 4.24Å; L119-E396 HydrophobicContact CB-CG 4.35Å
120P98.6Very high97.9Very high0 Ų032.2 Ų32.20%019%0.186CC..  trans-73.9156.9171.431.9-36.3000111.1F75 L78 T79 W122 I123 T124 Y144F75-P120 HydrophobicContact CE2-CB 4.1Å; F75-P120 HydrophobicContact CE2-CG 4.39Å; L78-P120 HydrophobicContact CB-CB 4.01Å; L78-P120 CarbonylContact O-C 3.55Å; T79-P120 HydrophobicContact CG2-CB 4.44Å; P120-W122 HydrophobicContact CB-CD2 3.89Å; P120-W122 HydrophobicContact CB-CE3 4.16Å; P120-W122 HydrophobicContact CB-CH2 3.9Å; P120-W122 HydrophobicContact CB-CZ2 3.58Å; P120-W122 HydrophobicContact CB-CZ3 4.19Å; P120-W122 HydrophobicContact CG-CD2 3.89Å; P120-W122 HydrophobicContact CG-CG 4.35Å; P120-W122 HydrophobicContact CG-CH2 4.19Å; P120-W122 HydrophobicContact CG-CZ2 3.35Å; P120-W122 VanDerWaalsContact CG-NE1 3.3Å; P120-W122 PolarHBondContact O-N 2.87Å; P120-I123 HydrophobicContact CG-CG1 4.02Å; P120-I123 PolarHBondContact O-N 3.23Å; P120-T124 PolarHBondContact O-N 2.65Å; P120-Y144 VanDerWaalsContact CD-CD1 3.43Å; P120-Y144 HydrophobicContact CG-CD1 4.05Å; P120-Y144 HydrophobicContact CG-CD2 3.87Å; P120-Y144 HydrophobicContact CG-CE1 3.89Å; P120-Y144 HydrophobicContact CG-CE2 3.73Å; P120-Y144 HydrophobicContact CG-CG 4.04Å
121I98.8Very high97.9Very high0 Ų036 Ų360%020%0.202CC..Hα-helixtrans-53.5-32.2-172.6-166.8167.6000114.5L78 I123 T124 A125 F185 Y384 M387 L391 I393L78-I121 HydrophobicContact CD2-CG2 4.11Å; L78-I121 WeakPolarHBondContact O-CB 3.38Å; L78-I121 PolarHBondContact O-N 3.01Å; I121-I123 VanDerWaalsContact C-N 3.31Å; I121-I123 PolarHBondContact O-N 3.16Å; I121-T124 PolarHBondContact O-N 2.92Å; I121-A125 VanDerWaalsContact O-CB 3.23Å; I121-A125 WeakPolarHBondContact O-CB 3.41Å; I121-A125 PolarHBondContact O-N 3.11Å; I121-F185 HydrophobicContact CD1-CE2 4.37Å; I121-F185 HydrophobicContact CG2-CD1 4.12Å; I121-F185 HydrophobicContact CG2-CD2 4.4Å; I121-F185 HydrophobicContact CG2-CE1 3.5Å; I121-F185 VanDerWaalsContact CG2-CE1 3.5Å; I121-F185 HydrophobicContact CG2-CE2 3.81Å; I121-F185 HydrophobicContact CG2-CZ 3.31Å; I121-Y384 HydrophobicContact CB-CD2 3.97Å; I121-Y384 HydrophobicContact CB-CE2 3.68Å; I121-Y384 HydrophobicContact CD1-CD2 4.18Å; I121-Y384 HydrophobicContact CD1-CE2 4.28Å; I121-Y384 HydrophobicContact CG1-CD2 4.31Å; I121-Y384 HydrophobicContact CG1-CE2 3.97Å; I121-M387 HydrophobicContact CD1-CB 3.46Å; I121-M387 VanDerWaalsContact CD1-CB 3.46Å; I121-M387 HydrophobicContact CD1-CE 3.9Å; I121-M387 HydrophobicContact CD1-SD 4.41Å; I121-L391 HydrophobicContact CD1-CD1 4.12Å; I121-I393 HydrophobicContact CG1-CD1 4.31Å
122W98.4Very high98Very high2 Ų232.9 Ų32.91%0.00819%0.186CC..Hα-helixtrans-64-35.8177.554.980000112.5L78 P120 Q126 A132 Y144 A149 F185L78-W122 HydrophobicContact CD1-CE3 4.37Å; L78-W122 HydrophobicContact CD1-CH2 3.27Å; L78-W122 HydrophobicContact CD1-CZ2 4.44Å; L78-W122 HydrophobicContact CD1-CZ3 3.23Å; L78-W122 HydrophobicContact CD2-CE3 3.9Å; L78-W122 HydrophobicContact CD2-CH2 4.33Å; L78-W122 HydrophobicContact CD2-CZ3 3.4Å; L78-W122 HydrophobicContact CG-CH2 4.31Å; L78-W122 HydrophobicContact CG-CZ3 3.84Å; P120-W122 HydrophobicContact CB-CD2 3.89Å; P120-W122 HydrophobicContact CB-CE3 4.16Å; P120-W122 HydrophobicContact CB-CH2 3.9Å; P120-W122 HydrophobicContact CB-CZ2 3.58Å; P120-W122 HydrophobicContact CB-CZ3 4.19Å; P120-W122 HydrophobicContact CG-CD2 3.89Å; P120-W122 HydrophobicContact CG-CG 4.35Å; P120-W122 HydrophobicContact CG-CH2 4.19Å; P120-W122 HydrophobicContact CG-CZ2 3.35Å; P120-W122 VanDerWaalsContact CG-NE1 3.3Å; P120-W122 PolarHBondContact O-N 2.87Å; W122-Q126 WeakPolarHBondContact O-CB 3.36Å; W122-Q126 WeakPolarHBondContact O-CG 3.28Å; W122-Q126 PolarHBondContact O-N 2.9Å; W122-Q126 VanDerWaalsContact O-N 3.1Å; W122-A132 HydrophobicContact CB-CB 3.49Å; W122-A132 VanDerWaalsContact CB-CB 3.49Å; W122-Y144 AromaticContact CZ2-CE2 3.78Å; W122-Y144 HydrophobicContact CZ2-CE2 3.78Å; W122-Y144 AromaticContact NE1-CD2 3.96Å; W122-Y144 AromaticContact NE1-CE2 3.85Å; W122-A149 HydrophobicContact CB-CB 4.29Å; W122-A149 HydrophobicContact CG-CB 4.05Å; W122-F185 HydrophobicContact CB-CD1 4.31Å; W122-F185 HydrophobicContact CB-CE1 4.5Å; W122-F185 HydrophobicContact CE3-CE1 4.3Å
123I98.6Very high98.1Very high0 Ų027.9 Ų27.90%016%0.162CC..Hα-helixtrans-72.8-45175-55.5-61.8000110.1L119 P120 I121 A125 Q126 R127 Y144 E147L119-I123 HydrophobicContact CD1-CG2 4.37Å; L119-I123 HydrophobicContact CD2-CG2 4.19Å; P120-I123 HydrophobicContact CG-CG1 4.02Å; P120-I123 PolarHBondContact O-N 3.23Å; I121-I123 VanDerWaalsContact C-N 3.31Å; I121-I123 PolarHBondContact O-N 3.16Å; I123-A125 VanDerWaalsContact C-N 3.29Å; I123-A125 PolarHBondContact O-N 3.03Å; I123-Q126 PolarHBondContact O-N 2.94Å; I123-R127 HydrophobicContact CG2-CG 4.42Å; I123-R127 WeakPolarHBondContact O-CG 3.29Å; I123-R127 PolarHBondContact O-N 2.96Å; I123-Y144 HydrophobicContact CD1-CD2 4.4Å; I123-Y144 HydrophobicContact CG1-CD2 4.12Å; I123-Y144 HydrophobicContact CG1-CG 4.25Å; I123-E147 HydrophobicContact CD1-CB 3.9Å
124T98.7Very high98.1Very high0 Ų027.7 Ų27.70%016%0.162CC..Hα-helixtrans-56-44.2176.4-53.20000111.9P120 I121 Q128 Y384 I393 Q394 E396P120-T124 PolarHBondContact O-N 2.65Å; I121-T124 PolarHBondContact O-N 2.92Å; T124-Q128 WeakPolarHBondContact O-CG 3.33Å; T124-Q128 PolarHBondContact O-NE2 3.08Å; T124-Q128 VanDerWaalsContact O-NE2 3.15Å; T124-Y384 PolarHBondContact OG1-OH 3.14Å; T124-I393 HydrophobicContact CG2-CD1 4.32Å; T124-Q394 WeakPolarHBondContact CG2-O 3.33Å; T124-E396 HydrophobicContact CG2-CG 3.89Å; T124-E396 VanDerWaalsContact OG1-CG 3.22Å; T124-E396 WeakPolarHBondContact OG1-CG 3.45Å
125A98.7Very high98.1Very high0 Ų027.7 Ų27.70%016%0.162CC..Hα-helixtrans-66.1-44.8178.200000111.6I121 I123 R127 Q128 G129 L130 A132 I393I121-A125 VanDerWaalsContact O-CB 3.23Å; I121-A125 WeakPolarHBondContact O-CB 3.41Å; I121-A125 PolarHBondContact O-N 3.11Å; I123-A125 VanDerWaalsContact C-N 3.29Å; I123-A125 PolarHBondContact O-N 3.03Å; A125-R127 PolarHBondContact O-N 3.44Å; A125-Q128 CarbonylContact O-C 3.33Å; A125-Q128 WeakPolarHBondContact O-CA 3.31Å; A125-Q128 PolarHBondContact O-N 3.43Å; A125-G129 PolarHBondContact O-N 2.97Å; A125-L130 HydrophobicContact CB-CB 4.04Å; A125-L130 HydrophobicContact CB-CD1 4.19Å; A125-L130 WeakPolarHBondContact O-CB 3.45Å; A125-L130 PolarHBondContact O-N 3.26Å; A125-A132 HydrophobicContact CB-CB 4.5Å; A125-I393 HydrophobicContact CB-CD1 3.93Å
126Q98.6Very high98.2Very high36 Ų3625.6 Ų25.617%0.16815%0.15CC..Hα-helixtrans-61.6-42.5178.9-79.4170.5-170.100113.4W122 I123 Q128 G129 L130 A132 F148 A149 T150W122-Q126 WeakPolarHBondContact O-CB 3.36Å; W122-Q126 WeakPolarHBondContact O-CG 3.28Å; W122-Q126 PolarHBondContact O-N 2.9Å; W122-Q126 VanDerWaalsContact O-N 3.1Å; I123-Q126 PolarHBondContact O-N 2.94Å; Q126-Q128 PolarHBondContact O-N 2.98Å; Q126-Q128 VanDerWaalsContact O-N 3.1Å; Q126-G129 PolarHBondContact O-N 3.1Å; Q126-L130 WeakPolarHBondContact CA-O 3.27Å; Q126-A132 HydrophobicContact CG-CB 4.22Å; Q126-A132 PolarHBondContact OE1-O 3.31Å; Q126-F148 PolarHBondContact NE2-O 2.8Å; Q126-A149 VanDerWaalsContact OE1-CA 3.29Å; Q126-T150 PolarHBondContact OE1-OG1 3.04Å
127R98.5Very high98.4Very high107 Ų10723.1 Ų23.140%0.40414%0.137SC..THydrogen-bonded Turntrans-64.6-14.1175.9-71.4179.3172.6-171.3-2113.3I123 A125 Q145 E147I123-R127 HydrophobicContact CG2-CG 4.42Å; I123-R127 WeakPolarHBondContact O-CG 3.29Å; I123-R127 PolarHBondContact O-N 2.96Å; A125-R127 PolarHBondContact O-N 3.44Å; R127-Q145 VanDerWaalsContact CZ-OE1 3.28Å; R127-E147 IonicContact CZ-OE1 3.73Å; R127-E147 VanDerWaalsContact CZ-OE1 3.25Å; R127-E147 IonicContact NE-OE1 2.63Å; R127-E147 PolarHBondContact NE-OE1 2.82Å; R127-E147 IonicContact NE-OE2 2.71Å; R127-E147 IonicContact NH2-OE1 3.99Å; R127-E147 PolarHBondContact NH2-OE1 2.63Å
128Q98.5Very high98.5Very high80 Ų8020.4 Ų20.437%0.37411%0.109SC..THydrogen-bonded Turntrans-108.318176.7-65.5179.573.400112.8T124 A125 Q126 I393 Q394T124-Q128 WeakPolarHBondContact O-CG 3.33Å; T124-Q128 PolarHBondContact O-NE2 3.08Å; T124-Q128 VanDerWaalsContact O-NE2 3.15Å; A125-Q128 CarbonylContact O-C 3.33Å; A125-Q128 WeakPolarHBondContact O-CA 3.31Å; A125-Q128 PolarHBondContact O-N 3.43Å; Q126-Q128 PolarHBondContact O-N 2.98Å; Q126-Q128 VanDerWaalsContact O-N 3.1Å; Q128-I393 HydrophobicContact CB-CG2 4.05Å; Q128-Q394 PolarHBondContact NE2-O 2.83Å
129G97.9Very high98.5Very high67 Ų6720 Ų2069%0.69111%0.106SC*.THydrogen-bonded Turntrans83.611.617200000114.9A125 Q126A125-G129 PolarHBondContact O-N 2.97Å; Q126-G129 PolarHBondContact O-N 3.1Å
130L98.4Very high98.4Very high24 Ų2419.5 Ų19.513%0.12610%0.104CC..  trans-90.7163.9171.7-56.7-170.3000111.3A125 Q126 D184 L391 I393A125-L130 HydrophobicContact CB-CB 4.04Å; A125-L130 HydrophobicContact CB-CD1 4.19Å; A125-L130 WeakPolarHBondContact O-CB 3.45Å; A125-L130 PolarHBondContact O-N 3.26Å; Q126-L130 WeakPolarHBondContact CA-O 3.27Å; L130-D184 VanDerWaalsContact CA-OD2 3.32Å; L130-D184 WeakPolarHBondContact CA-OD2 3.31Å; L130-D184 HydrophobicContact CB-CB 4.09Å; L130-D184 WeakPolarHBondContact CB-OD2 3.3Å; L130-D184 HydrophobicContact CD1-CB 4.27Å; L130-D184 HydrophobicContact CD2-CB 4.42Å; L130-L391 HydrophobicContact CD1-CB 4.01Å; L130-L391 HydrophobicContact CD1-CD2 4.21Å; L130-I393 HydrophobicContact CD1-CG2 3.46Å; L130-I393 VanDerWaalsContact CD1-CG2 3.46Å; L130-I393 HydrophobicContact CG-CG2 4.09Å
131K98.5Very high98.4Very high87 Ų8720 Ų2038%0.37811%0.108SC..  trans-106.6134.4170.3-67.7177.8-172.91660109.4Q181 L183 D184 F185K131-Q181 WeakPolarHBondContact CD-O 3.45Å; K131-Q181 PolarHBondContact NZ-O 3.33Å; K131-L183 HydrophobicContact CB-CG 4.27Å; K131-D184 PolarHBondContact N-OD2 2.83Å; K131-D184 PolarHBondContact O-N 2.89Å; K131-F185 PolarHBondContact O-N 3.35Å
132A98.7Very high98.3Very high0 Ų020 Ų200%011%0.109CC..EExtended strand (participates in β ladder)trans-132.7150.6-175.800000111.6W122 A125 Q126 T150 V151 F185W122-A132 HydrophobicContact CB-CB 3.49Å; W122-A132 VanDerWaalsContact CB-CB 3.49Å; A125-A132 HydrophobicContact CB-CB 4.5Å; Q126-A132 HydrophobicContact CG-CB 4.22Å; Q126-A132 PolarHBondContact OE1-O 3.31Å; A132-T150 PolarHBondContact N-OG1 3.06Å; A132-T150 WeakPolarHBondContact O-CA 3.41Å; A132-T150 WeakPolarHBondContact O-CB 3.19Å; A132-T150 PolarHBondContact O-N 3.1Å; A132-T150 PolarHBondContact O-OG1 3.27Å; A132-V151 PolarHBondContact O-N 2.85Å; A132-F185 CarbonylContact C-O 3.48Å; A132-F185 VanDerWaalsContact CA-O 3.27Å; A132-F185 WeakPolarHBondContact CA-O 3.25Å; A132-F185 HydrophobicContact CB-CB 4.17Å; A132-F185 HydrophobicContact CB-CD1 4.18Å
133G98.7Very high98.3Very high0 Ų020.6 Ų20.60%011%0.113CC..EExtended strand (participates in β ladder)trans-139.2164.1178.500000112.7V151 L183 F185 V186 S187G133-V151 CarbonylContact C-O 3.5Å; G133-V151 WeakPolarHBondContact CA-O 3.36Å; G133-L183 VanDerWaalsContact N-CD2 3.33Å; G133-F185 PolarHBondContact N-O 3.41Å; G133-V186 VanDerWaalsContact O-CA 3.31Å; G133-V186 WeakPolarHBondContact O-CA 3.49Å; G133-S187 PolarHBondContact O-N 3.32Å; G133-S187 VanDerWaalsContact O-N 3.13Å
134S98.8Very high98.2Very high0 Ų020.6 Ų20.60%011%0.113CC..EExtended strand (participates in β ladder)trans-148.4132.3175.9-170.60000111.2F137 T140 V151 R152 E153 S187S134-F137 VanDerWaalsContact OG-CB 3.29Å; S134-F137 WeakPolarHBondContact OG-CB 3.33Å; S134-T140 VanDerWaalsContact CB-OG1 3.32Å; S134-T140 WeakPolarHBondContact CB-OG1 3.42Å; S134-T140 PolarHBondContact OG-OG1 2.99Å; S134-V151 PolarHBondContact N-O 2.83Å; S134-V151 VanDerWaalsContact N-O 3.08Å; S134-R152 WeakPolarHBondContact O-CA 3.31Å; S134-E153 PolarHBondContact O-N 2.83Å; S134-S187 CarbonylContact C-O 3.6Å; S134-S187 WeakPolarHBondContact CA-O 3.39Å; S134-S187 VanDerWaalsContact CB-OG 3.25Å; S134-S187 WeakPolarHBondContact CB-OG 3.37Å; S134-S187 PolarHBondContact OG-OG 2.98Å
135L98.8Very high98.2Very high0 Ų025.6 Ų25.60%014%0.136CC..EExtended strand (participates in β ladder)trans-122113.3178.5-168.9148.7000109.4F137 E153 N170 K173 V174 W177 S187 L188 Y189L135-F137 PolarHBondContact O-N 3.2Å; L135-E153 HydrophobicContact CG-CB 4.3Å; L135-N170 HydrophobicContact CD1-CB 4.29Å; L135-N170 HydrophobicContact CD2-CB 4Å; L135-K173 HydrophobicContact CD1-CD 3.76Å; L135-V174 HydrophobicContact CB-CG2 4.34Å; L135-V174 HydrophobicContact CD1-CG2 4.12Å; L135-W177 HydrophobicContact CB-CH2 3.98Å; L135-W177 HydrophobicContact CB-CZ3 3.96Å; L135-W177 HydrophobicContact CD1-CH2 3.79Å; L135-W177 HydrophobicContact CD1-CZ2 4.3Å; L135-W177 HydrophobicContact CD1-CZ3 4.31Å; L135-W177 HydrophobicContact CG-CH2 4.31Å; L135-S187 PolarHBondContact N-O 3.04Å; L135-L188 HydrophobicContact CB-CD1 4.1Å; L135-L188 HydrophobicContact CD2-CD1 3.48Å; L135-L188 VanDerWaalsContact CD2-CD1 3.48Å; L135-L188 HydrophobicContact CG-CD1 4.27Å; L135-Y189 PolarHBondContact O-N 3.22Å; L135-Y189 VanDerWaalsContact O-N 3.13Å
136H98.4Very high98.1Very high2 Ų228.4 Ų28.41%0.00917%0.165CC..SBendtrans61.51.4175.8-52.8173.4000115.2E153 E155 Y159 N170 Y189H136-E153 IonicContact CE1-OE1 2.88Å; H136-E153 PolarHBondContact N-O 2.85Å; H136-E153 IonicContact NE2-OE1 3.66Å; H136-E153 PolarHBondContact NE2-OE1 3.14Å; H136-E153 VanDerWaalsContact NE2-OE1 3.1Å; H136-E155 HydrophobicContact CB-CB 4.45Å; H136-E155 PolarHBondContact CD2-N 2.78Å; H136-E155 VanDerWaalsContact CD2-N 3.33Å; H136-Y159 AromaticContact CE1-CZ 3.77Å; H136-Y159 AromaticContact ND1-CZ 3.97Å; H136-N170 PolarHBondContact CE1-ND2 3.35Å; H136-Y189 HydrophobicContact CB-CD1 4Å; H136-Y189 VanDerWaalsContact O-CD1 3.25Å; H136-Y189 WeakPolarHBondContact O-CD1 3.4Å
137F98.4Very high98Very high0 Ų029.9 Ų29.90%017%0.172CC..  trans-69.8139.1-178.5-143.6-84.9000111.2L30 H74 L77 L78 S134 L135 G139 T140L30-F137 HydrophobicContact CD2-CE2 4.1Å; L30-F137 HydrophobicContact CD2-CZ 3.74Å; L30-F137 HydrophobicContact CG-CE2 4.25Å; L30-F137 HydrophobicContact CG-CZ 4.31Å; H74-F137 HydrophobicContact CB-CD1 4.29Å; H74-F137 HydrophobicContact CB-CE1 3.8Å; H74-F137 AromaticContact CD2-CE1 3.5Å; H74-F137 VanDerWaalsContact CD2-CE1 3.5Å; H74-F137 WeakPolarHBondContact CD2-CE1 3.27Å; H74-F137 AromaticContact CD2-CZ 3.51Å; L77-F137 HydrophobicContact CD1-CZ 4.33Å; L78-F137 HydrophobicContact CD1-CD1 3.62Å; L78-F137 HydrophobicContact CD1-CE1 3.67Å; L78-F137 HydrophobicContact CD2-CD1 4.17Å; L78-F137 HydrophobicContact CD2-CE1 3.84Å; L78-F137 HydrophobicContact CD2-CZ 4.37Å; L78-F137 HydrophobicContact CG-CD1 4.08Å; L78-F137 HydrophobicContact CG-CE1 3.66Å; S134-F137 VanDerWaalsContact OG-CB 3.29Å; S134-F137 WeakPolarHBondContact OG-CB 3.33Å; L135-F137 PolarHBondContact O-N 3.2Å; F137-G139 PolarHBondContact O-N 3.19Å; F137-T140 WeakPolarHBondContact O-CB 3.42Å; F137-T140 PolarHBondContact O-N 3.45Å; F137-T140 PolarHBondContact O-OG1 2.72Å
138P98.2Very high98Very high0 Ų028.8 Ų28.80%017%0.17CC..THydrogen-bonded Turntrans-53.4131.4175.6-28.135.2000112.3T70 H74 Y104 W114T70-P138 HydrophobicContact CG2-CG 4.27Å; H74-P138 HydrophobicContact CB-CB 3.89Å; H74-P138 HydrophobicContact CB-CG 3.71Å; Y104-P138 HydrophobicContact CE2-CG 4.49Å; W114-P138 HydrophobicContact CH2-CB 3.77Å; W114-P138 HydrophobicContact CZ3-CB 4.13Å
139G97.3Very high98Very high0 Ų025.4 Ų25.40%016%0.156CC..THydrogen-bonded Turntrans93.8-4.6-175.900000115.2W114 F137 A141 S142 Y144W114-G139 VanDerWaalsContact CE3-CA 3.44Å; F137-G139 PolarHBondContact O-N 3.19Å; G139-A141 PolarHBondContact O-N 2.74Å; G139-S142 PolarHBondContact O-N 2.94Å; G139-Y144 WeakPolarHBondContact CA-OH 3.35Å; G139-Y144 WeakPolarHBondContact O-CE2 3.48Å; G139-Y144 PolarHBondContact O-OH 2.66Å
140T97.7Very high98Very high4 Ų425.9 Ų25.93%0.02515%0.145CC..SBendtrans-65.3-35.9179.2-62.70000113.7S134 F137 S142 R152 V154S134-T140 VanDerWaalsContact CB-OG1 3.32Å; S134-T140 WeakPolarHBondContact CB-OG1 3.42Å; S134-T140 PolarHBondContact OG-OG1 2.99Å; F137-T140 WeakPolarHBondContact O-CB 3.42Å; F137-T140 PolarHBondContact O-N 3.45Å; F137-T140 PolarHBondContact O-OG1 2.72Å; T140-S142 VanDerWaalsContact C-N 3.34Å; T140-R152 HydrophobicContact CG2-CB 3.72Å; T140-R152 PolarHBondContact O-NH1 3.05Å; T140-V154 HydrophobicContact CG2-CG2 3.99Å
141A97.5Very high97.9Very high11 Ų1125.8 Ų25.89%0.09115%0.146CC..SBendtrans-68.1-34.3-178.800000112.5Q108 F109 G139 R152 V154Q108-A141 HydrophobicContact CB-CB 3.94Å; Q108-A141 VanDerWaalsContact O-CB 3.26Å; Q108-A141 WeakPolarHBondContact O-CB 3.32Å; F109-A141 HydrophobicContact CD1-CB 3.8Å; F109-A141 HydrophobicContact CE1-CB 3.79Å; F109-A141 HydrophobicContact CG-CB 4.29Å; F109-A141 HydrophobicContact CZ-CB 4.27Å; G139-A141 PolarHBondContact O-N 2.74Å; A141-R152 PolarHBondContact O-NH1 3.02Å; A141-V154 HydrophobicContact CB-CG1 4.35Å; A141-V154 HydrophobicContact CB-CG2 3.62Å
142S97.3Very high97.9Very high1 Ų126 Ų261%0.00714%0.144CC..SBendtrans-71.4149-175.3-168.60000112.9N111 G139 T140 Y144 F148N111-S142 WeakPolarHBondContact CA-OG 3.41Å; N111-S142 WeakPolarHBondContact OD1-CA 3.44Å; N111-S142 PolarHBondContact OD1-OG 3.03Å; G139-S142 PolarHBondContact O-N 2.94Å; T140-S142 VanDerWaalsContact C-N 3.34Å; S142-Y144 WeakPolarHBondContact O-CE2 3.4Å; S142-F148 WeakPolarHBondContact O-CD1 3.48Å
143S97.5Very high97.9Very high13 Ų1329 Ų299%0.09116%0.158CC..  trans-83.2159.2159.156.50000110.1N111 D115 E147 F148N111-S143 PolarHBondContact ND2-OG 3.09Å; N111-S143 PolarHBondContact OD1-N 2.78Å; N111-S143 VanDerWaalsContact OD1-N 3.14Å; D115-S143 WeakPolarHBondContact CB-O 3.46Å; S143-E147 CarbonylContact C-O 3.38Å; S143-E147 VanDerWaalsContact CA-O 3.26Å; S143-E147 WeakPolarHBondContact CA-O 3.31Å; S143-F148 VanDerWaalsContact N-CE1 3.27Å
144Y98.3Very high97.8Very high0 Ų030.6 Ų30.60%017%0.168CC..BIsolated β-bridgetrans-132112.8171.7-58.8-94000108.2F75 W114 D115 P120 W122 I123 G139 S142 G146 E147F75-Y144 AromaticContact CE2-CE1 3.74Å; F75-Y144 HydrophobicContact CE2-CE1 3.74Å; F75-Y144 AromaticContact CE2-CZ 3.94Å; F75-Y144 WeakPolarHBondContact CE2-OH 3.38Å; F75-Y144 AromaticContact CZ-CE1 3.68Å; F75-Y144 HydrophobicContact CZ-CE1 3.68Å; W114-Y144 HydrophobicContact CB-CE1 3.78Å; D115-Y144 HydrophobicContact CB-CD1 4.46Å; P120-Y144 VanDerWaalsContact CD-CD1 3.43Å; P120-Y144 HydrophobicContact CG-CD1 4.05Å; P120-Y144 HydrophobicContact CG-CD2 3.87Å; P120-Y144 HydrophobicContact CG-CE1 3.89Å; P120-Y144 HydrophobicContact CG-CE2 3.73Å; P120-Y144 HydrophobicContact CG-CG 4.04Å; W122-Y144 AromaticContact CZ2-CE2 3.78Å; W122-Y144 HydrophobicContact CZ2-CE2 3.78Å; W122-Y144 AromaticContact NE1-CD2 3.96Å; W122-Y144 AromaticContact NE1-CE2 3.85Å; I123-Y144 HydrophobicContact CD1-CD2 4.4Å; I123-Y144 HydrophobicContact CG1-CD2 4.12Å; I123-Y144 HydrophobicContact CG1-CG 4.25Å; G139-Y144 WeakPolarHBondContact CA-OH 3.35Å; G139-Y144 WeakPolarHBondContact O-CE2 3.48Å; G139-Y144 PolarHBondContact O-OH 2.66Å; S142-Y144 WeakPolarHBondContact O-CE2 3.4Å; Y144-G146 PolarHBondContact O-N 2.96Å; Y144-E147 PolarHBondContact N-O 2.82Å; Y144-E147 WeakPolarHBondContact O-CB 3.4Å; Y144-E147 PolarHBondContact O-N 2.84Å
145Q96.9Very high97.7Very high106 Ų10630.7 Ų30.750%0.49517%0.169SC..THydrogen-bonded Turntrans5336.7-171.7-57.5178.1-4.800112.4D115 L119 R127 E147D115-Q145 VanDerWaalsContact CG-N 3.34Å; D115-Q145 PolarHBondContact OD1-N 3.22Å; D115-Q145 PolarHBondContact OD2-N 2.9Å; L119-Q145 HydrophobicContact CD2-CG 4.24Å; R127-Q145 VanDerWaalsContact CZ-OE1 3.28Å; Q145-E147 VanDerWaalsContact C-N 3.27Å; Q145-E147 PolarHBondContact O-N 2.71Å
146G96.5Very high97.6Very high59 Ų5934.2 Ų34.261%0.60819%0.191SC*.THydrogen-bonded Turntrans79.4-0.8-178.100000115.4Y144Y144-G146 PolarHBondContact O-N 2.96Å
147E97.9Very high97Very high67 Ų6737.3 Ų37.331%0.31321%0.208SC..BIsolated β-bridgetrans-100.1152.8179.5-64.1179.9-116.700112.2I123 R127 S143 Y144 Q145I123-E147 HydrophobicContact CD1-CB 3.9Å; R127-E147 IonicContact CZ-OE1 3.73Å; R127-E147 VanDerWaalsContact CZ-OE1 3.25Å; R127-E147 IonicContact NE-OE1 2.63Å; R127-E147 PolarHBondContact NE-OE1 2.82Å; R127-E147 IonicContact NE-OE2 2.71Å; R127-E147 IonicContact NH2-OE1 3.99Å; R127-E147 PolarHBondContact NH2-OE1 2.63Å; S143-E147 CarbonylContact C-O 3.38Å; S143-E147 VanDerWaalsContact CA-O 3.26Å; S143-E147 WeakPolarHBondContact CA-O 3.31Å; Y144-E147 PolarHBondContact N-O 2.82Å; Y144-E147 WeakPolarHBondContact O-CB 3.4Å; Y144-E147 PolarHBondContact O-N 2.84Å; Q145-E147 VanDerWaalsContact C-N 3.27Å; Q145-E147 PolarHBondContact O-N 2.71Å
148F98.1Very high96.7Very high83 Ų8346.6 Ų46.636%0.36425%0.249SC..  trans-124.6164.9175.2-62.7-69.8000110.2Q126 S142 S143 R152Q126-F148 PolarHBondContact NE2-O 2.8Å; S142-F148 WeakPolarHBondContact O-CD1 3.48Å; S143-F148 VanDerWaalsContact N-CE1 3.27Å; F148-R152 VanDerWaalsContact CG-CZ 3.4Å
149A97.7Very high96.5Very high9 Ų948.7 Ų48.77%0.07426%0.257CS..  trans-58.5144.816500000110.5W122 Q126 V151 R152W122-A149 HydrophobicContact CB-CB 4.29Å; W122-A149 HydrophobicContact CG-CB 4.05Å; Q126-A149 VanDerWaalsContact OE1-CA 3.29Å; A149-V151 PolarHBondContact O-N 3.15Å; A149-R152 HydrophobicContact CB-CB 4.36Å
150T97.8Very high96.5Very high77 Ų7753.2 Ų53.247%0.47228%0.281SS..SBendtrans-56.1-41.7-174.7-54.60000110.7Q126 A132Q126-T150 PolarHBondContact OE1-OG1 3.04Å; A132-T150 PolarHBondContact N-OG1 3.06Å; A132-T150 WeakPolarHBondContact O-CA 3.41Å; A132-T150 WeakPolarHBondContact O-CB 3.19Å; A132-T150 PolarHBondContact O-N 3.1Å; A132-T150 PolarHBondContact O-OG1 3.27Å
151V98Very high96.4Very high22 Ų2255 Ų5513%0.13329%0.287CS..EExtended strand (participates in β ladder)trans-130.5135.6171.8-1720000107.9A132 G133 S134 A149 W177 L183A132-V151 PolarHBondContact O-N 2.85Å; G133-V151 CarbonylContact C-O 3.5Å; G133-V151 WeakPolarHBondContact CA-O 3.36Å; S134-V151 PolarHBondContact N-O 2.83Å; S134-V151 VanDerWaalsContact N-O 3.08Å; A149-V151 PolarHBondContact O-N 3.15Å; V151-W177 HydrophobicContact CB-CD2 4.4Å; V151-W177 HydrophobicContact CG1-CD2 3.82Å; V151-W177 VanDerWaalsContact CG1-CE2 3.45Å; V151-W177 HydrophobicContact CG1-CE3 4.2Å; V151-W177 HydrophobicContact CG1-CG 4.41Å; V151-W177 HydrophobicContact CG1-CH2 3.95Å; V151-W177 HydrophobicContact CG1-CZ2 3.54Å; V151-W177 HydrophobicContact CG1-CZ3 4.27Å; V151-L183 HydrophobicContact CB-CD2 4.26Å; V151-L183 HydrophobicContact CG2-CD1 3.89Å; V151-L183 HydrophobicContact CG2-CD2 4.27Å
152R97.8Very high96.4Very high92 Ų9256.4 Ų56.435%0.34730%0.297SS..EExtended strand (participates in β ladder)trans-151.5151.9-179.962.2-178.2-177150.8-2.4113.1S134 T140 A141 F148 A149S134-R152 WeakPolarHBondContact O-CA 3.31Å; T140-R152 HydrophobicContact CG2-CB 3.72Å; T140-R152 PolarHBondContact O-NH1 3.05Å; A141-R152 PolarHBondContact O-NH1 3.02Å; F148-R152 VanDerWaalsContact CG-CZ 3.4Å; A149-R152 HydrophobicContact CB-CB 4.36Å
153E98.3Very high96.4Very high63 Ų6359.1 Ų59.129%0.29431%0.311SS..EExtended strand (participates in β ladder)trans-143.3133.3171.3-171.1177.4126.200109.1S134 L135 H136 K173 W177S134-E153 PolarHBondContact O-N 2.83Å; L135-E153 HydrophobicContact CG-CB 4.3Å; H136-E153 IonicContact CE1-OE1 2.88Å; H136-E153 PolarHBondContact N-O 2.85Å; H136-E153 IonicContact NE2-OE1 3.66Å; H136-E153 PolarHBondContact NE2-OE1 3.14Å; H136-E153 VanDerWaalsContact NE2-OE1 3.1Å; E153-K173 IonicContact OE1-NZ 3.47Å; E153-K173 PolarHBondContact OE1-NZ 3.39Å; E153-K173 IonicContact OE2-NZ 2.74Å; E153-K173 PolarHBondContact OE2-NZ 3.17Å; E153-W177 HydrophobicContact CB-CH2 4.4Å
154V97.7Very high96.5Very high34 Ų3460.3 Ų60.321%0.20632%0.316CS..  trans-108140.5171.4-174.50000106F109 T140 A141F109-V154 HydrophobicContact CE1-CG1 4.48Å; F109-V154 HydrophobicContact CE2-CG1 4.43Å; F109-V154 HydrophobicContact CZ-CB 4.43Å; F109-V154 HydrophobicContact CZ-CG1 3.79Å; T140-V154 HydrophobicContact CG2-CG2 3.99Å; A141-V154 HydrophobicContact CB-CG1 4.35Å; A141-V154 HydrophobicContact CB-CG2 3.62Å
155E96.1Very high96.5Very high2 Ų264.4 Ų64.41%0.00934%0.341CS..  trans-60.1155.8177.173.8-77.2179.800111.4Y105 Q108 H136 Y159 Y161Y105-E155 HydrophobicContact CE2-CG 4.47Å; Y105-E155 VanDerWaalsContact CE2-O 3.3Å; Y105-E155 WeakPolarHBondContact CE2-O 3.3Å; Q108-E155 PolarHBondContact NE2-OE1 3.37Å; H136-E155 HydrophobicContact CB-CB 4.45Å; H136-E155 PolarHBondContact CD2-N 2.78Å; H136-E155 VanDerWaalsContact CD2-N 3.33Å; E155-Y159 HydrophobicContact CB-CD1 4.13Å; E155-Y159 HydrophobicContact CB-CD2 4.3Å; E155-Y159 HydrophobicContact CB-CG 3.86Å; E155-Y159 HydrophobicContact CG-CG 4.47Å; E155-Y161 WeakPolarHBondContact CG-OH 3.49Å; E155-Y161 PolarHBondContact OE1-OH 3.04Å
156P95.4Very high96.5Very high74 Ų7460.4 Ų60.448%0.48132%0.324SS..  trans-71.6155.1169.429.5-35.1000111.7F158 Y159P156-F158 PolarHBondContact O-N 2.91Å; P156-Y159 HydrophobicContact CG-CD2 3.81Å; P156-Y159 HydrophobicContact CG-CG 4.38Å; P156-Y159 WeakPolarHBondContact O-CB 3.5Å; P156-Y159 PolarHBondContact O-N 3.16Å
157N87.6Confident96.6Very high66 Ų6657.6 Ų57.635%0.35330%0.295SS..THydrogen-bonded Turntrans-53.2-24-178.2-17257.7000115.7Y105Y105-N157 HydrophobicContact CD1-CB 4.02Å; Y105-N157 WeakPolarHBondContact CD1-OD1 3.41Å; Y105-N157 HydrophobicContact CE1-CB 3.59Å; Y105-N157 WeakPolarHBondContact CE1-OD1 3.34Å; Y105-N157 VanDerWaalsContact CE2-CA 3.47Å; Y105-N157 HydrophobicContact CE2-CB 4.16Å; Y105-N157 HydrophobicContact CG-CB 4.46Å; Y105-N157 VanDerWaalsContact CZ-CA 3.48Å; Y105-N157 PolarHBondContact OH-N 2.63Å
158F91.1Very high96.7Very high195 Ų19557.2 Ų57.286%0.85529%0.291SS*.THydrogen-bonded Turntrans-122.349.2177.4-57-64.9000110.9P156P156-F158 PolarHBondContact O-N 2.91Å
159Y95.2Very high96.7Very high44 Ų4458.7 Ų58.717%0.17330%0.299CS..  trans-70.8134.5179.1-169.4-113.8000111.6H136 E155 P156 Y161 N170H136-Y159 AromaticContact CE1-CZ 3.77Å; H136-Y159 AromaticContact ND1-CZ 3.97Å; E155-Y159 HydrophobicContact CB-CD1 4.13Å; E155-Y159 HydrophobicContact CB-CD2 4.3Å; E155-Y159 HydrophobicContact CB-CG 3.86Å; E155-Y159 HydrophobicContact CG-CG 4.47Å; P156-Y159 HydrophobicContact CG-CD2 3.81Å; P156-Y159 HydrophobicContact CG-CG 4.38Å; P156-Y159 WeakPolarHBondContact O-CB 3.5Å; P156-Y159 PolarHBondContact O-N 3.16Å; Y159-Y161 AromaticContact CD1-CD1 3.5Å; Y159-Y161 HydrophobicContact CD1-CD1 3.5Å; Y159-Y161 VanDerWaalsContact CD1-CD1 3.5Å; Y159-Y161 HydrophobicContact CD1-CD2 4.42Å; Y159-Y161 AromaticContact CD1-CE1 3.53Å; Y159-Y161 HydrophobicContact CD1-CE1 3.53Å; Y159-Y161 HydrophobicContact CD1-CE2 4.47Å; Y159-Y161 AromaticContact CD1-CG 3.98Å; Y159-Y161 HydrophobicContact CD1-CG 3.98Å; Y159-Y161 AromaticContact CE1-CD1 3.83Å; Y159-Y161 HydrophobicContact CE1-CD1 3.83Å; Y159-Y161 HydrophobicContact CE1-CE1 4.1Å; Y159-Y161 PolarHBondContact O-N 3.16Å; Y159-N170 PolarHBondContact OH-ND2 2.91Å; Y159-N170 VanDerWaalsContact OH-ND2 3.1Å
160N96.7Very high96.7Very high95 Ų9558.5 Ų58.551%0.50830%0.297SS..  trans-8895.4173.4-179.36.8000109.4S162 N163N160-S162 PolarHBondContact O-N 3.24Å; N160-S162 PolarHBondContact OD1-N 2.87Å; N160-N163 HydrophobicContact CB-CB 4.39Å; N160-N163 PolarHBondContact O-N 3.17Å
161Y96Very high96.8Very high41 Ų4154.9 Ų54.916%0.16128%0.275CS..THydrogen-bonded Turntrans-62.1-23.7-179.3-70.7-72.2000113.9E155 Y159 W167 Y189 V195E155-Y161 WeakPolarHBondContact CG-OH 3.49Å; E155-Y161 PolarHBondContact OE1-OH 3.04Å; Y159-Y161 AromaticContact CD1-CD1 3.5Å; Y159-Y161 HydrophobicContact CD1-CD1 3.5Å; Y159-Y161 VanDerWaalsContact CD1-CD1 3.5Å; Y159-Y161 HydrophobicContact CD1-CD2 4.42Å; Y159-Y161 AromaticContact CD1-CE1 3.53Å; Y159-Y161 HydrophobicContact CD1-CE1 3.53Å; Y159-Y161 HydrophobicContact CD1-CE2 4.47Å; Y159-Y161 AromaticContact CD1-CG 3.98Å; Y159-Y161 HydrophobicContact CD1-CG 3.98Å; Y159-Y161 AromaticContact CE1-CD1 3.83Å; Y159-Y161 HydrophobicContact CE1-CD1 3.83Å; Y159-Y161 HydrophobicContact CE1-CE1 4.1Å; Y159-Y161 PolarHBondContact O-N 3.16Å; Y161-W167 WeakPolarHBondContact O-CZ2 3.37Å; Y161-W167 PolarHBondContact O-NE1 3.5Å; Y161-Y189 HydrophobicContact CD1-CE1 4.25Å; Y161-Y189 HydrophobicContact CE1-CD1 4.38Å; Y161-Y189 AromaticContact CE1-CE1 3.6Å; Y161-Y189 HydrophobicContact CE1-CE1 3.6Å; Y161-V195 HydrophobicContact CD2-CG2 4.25Å
162S96.8Very high96.8Very high41 Ų4156.7 Ų56.729%0.28728%0.284SS..THydrogen-bonded Turntrans-87.1-0.5-177.5-34.50000114N160 E164 E192 Q213N160-S162 PolarHBondContact O-N 3.24Å; N160-S162 PolarHBondContact OD1-N 2.87Å; S162-E164 PolarHBondContact O-N 3.13Å; S162-E164 VanDerWaalsContact O-N 3.14Å; S162-E192 WeakPolarHBondContact CB-OE1 3.41Å; S162-E192 PolarHBondContact OG-OE1 2.8Å; S162-Q213 PolarHBondContact O-NE2 2.94Å
163N98.1Very high96.8Very high58 Ų5855.1 Ų55.131%0.3128%0.28SS..  trans-77.498.7-175.6-175.62.6000112.7N160 T165 S166 W167N160-N163 HydrophobicContact CB-CB 4.39Å; N160-N163 PolarHBondContact O-N 3.17Å; N163-T165 VanDerWaalsContact C-N 3.29Å; N163-T165 PolarHBondContact O-N 3.49Å; N163-T165 PolarHBondContact OD1-N 2.66Å; N163-S166 PolarHBondContact ND2-OG 3.25Å; N163-S166 PolarHBondContact O-N 2.84Å; N163-S166 VanDerWaalsContact O-N 3.07Å; N163-W167 PolarHBondContact O-N 3.03Å
164E98.2Very high96.8Very high39 Ų3952.1 Ų52.118%0.18227%0.266CS..Hα-helixtrans-56.6-36.7-179.7-165.6173-173.800113.6S162 S166 W167 Y168 Q213 R216S162-E164 PolarHBondContact O-N 3.13Å; S162-E164 VanDerWaalsContact O-N 3.14Å; E164-S166 VanDerWaalsContact C-N 3.32Å; E164-S166 PolarHBondContact O-N 3Å; E164-W167 WeakPolarHBondContact O-CB 3.03Å; E164-W167 PolarHBondContact O-N 2.8Å; E164-W167 VanDerWaalsContact O-N 3.09Å; E164-Y168 HydrophobicContact CG-CE1 4.26Å; E164-Y168 HydrophobicContact CG-CE2 3.91Å; E164-Y168 PolarHBondContact O-N 3.15Å; E164-Y168 VanDerWaalsContact O-N 3.16Å; E164-Y168 PolarHBondContact OE1-OH 3.14Å; E164-Q213 HydrophobicContact CB-CG 4.11Å; E164-Q213 HydrophobicContact CG-CG 3.86Å; E164-R216 IonicContact OE1-CZ 3.64Å; E164-R216 IonicContact OE1-NE 2.8Å; E164-R216 PolarHBondContact OE1-NE 2.81Å; E164-R216 IonicContact OE1-NH2 3.42Å; E164-R216 PolarHBondContact OE1-NH2 3.32Å; E164-R216 IonicContact OE2-CZ 3.76Å; E164-R216 IonicContact OE2-NE 3.61Å; E164-R216 IonicContact OE2-NH2 3.19Å; E164-R216 PolarHBondContact OE2-NH2 3.12Å
165T98.3Very high96.9Very high86 Ų8650.6 Ų50.653%0.52826%0.256SS..Hα-helixtrans-61.1-43.8177.2-59.20000111N163 W167 Y168 E169N163-T165 VanDerWaalsContact C-N 3.29Å; N163-T165 PolarHBondContact O-N 3.49Å; N163-T165 PolarHBondContact OD1-N 2.66Å; T165-W167 PolarHBondContact O-N 3.29Å; T165-Y168 PolarHBondContact O-N 3.35Å; T165-E169 WeakPolarHBondContact O-CG 3.24Å; T165-E169 PolarHBondContact O-N 2.98Å
166S98.1Very high96.9Very high21 Ų2151.9 Ų51.915%0.14727%0.266CS..Hα-helixtrans-66.6-27.4177.2-65.40000112.3N163 E164 E169 N170N163-S166 PolarHBondContact ND2-OG 3.25Å; N163-S166 PolarHBondContact O-N 2.84Å; N163-S166 VanDerWaalsContact O-N 3.07Å; E164-S166 VanDerWaalsContact C-N 3.32Å; E164-S166 PolarHBondContact O-N 3Å; S166-E169 PolarHBondContact O-N 2.82Å; S166-N170 VanDerWaalsContact O-CB 3.31Å; S166-N170 WeakPolarHBondContact O-CB 3.24Å; S166-N170 VanDerWaalsContact O-CG 3.22Å; S166-N170 PolarHBondContact O-N 2.97Å; S166-N170 PolarHBondContact O-ND2 2.79Å
167W98.6Very high97.1Very high1 Ų149.1 Ų49.10%0.00425%0.245CC..Hα-helixtrans-66.6-41.3173.9-62.41.8000112Y161 N163 E164 T165 T171 F190 E192 M210 Q213 V214 A217Y161-W167 WeakPolarHBondContact O-CZ2 3.37Å; Y161-W167 PolarHBondContact O-NE1 3.5Å; N163-W167 PolarHBondContact O-N 3.03Å; E164-W167 WeakPolarHBondContact O-CB 3.03Å; E164-W167 PolarHBondContact O-N 2.8Å; E164-W167 VanDerWaalsContact O-N 3.09Å; T165-W167 PolarHBondContact O-N 3.29Å; W167-T171 WeakPolarHBondContact O-CB 3.14Å; W167-T171 PolarHBondContact O-N 2.86Å; W167-T171 PolarHBondContact O-OG1 2.77Å; W167-F190 HydrophobicContact CB-CD1 4.23Å; W167-F190 HydrophobicContact CB-CE1 3.58Å; W167-F190 HydrophobicContact CB-CZ 4.46Å; W167-F190 AromaticContact CD1-CD1 3.68Å; W167-F190 AromaticContact CD1-CE1 3.84Å; W167-F190 AromaticContact CD2-CD1 3.84Å; W167-F190 HydrophobicContact CD2-CD1 3.84Å; W167-F190 HydrophobicContact CD2-CE1 4.08Å; W167-F190 AromaticContact CE2-CD1 3.95Å; W167-F190 AromaticContact CG-CD1 3.68Å; W167-F190 HydrophobicContact CG-CD1 3.68Å; W167-F190 AromaticContact CG-CE1 3.55Å; W167-F190 HydrophobicContact CG-CE1 3.55Å; W167-F190 AromaticContact NE1-CD1 3.85Å; W167-E192 HydrophobicContact CH2-CB 3.81Å; W167-E192 HydrophobicContact CH2-CG 4.3Å; W167-E192 HydrophobicContact CZ2-CB 3.7Å; W167-E192 HydrophobicContact CZ2-CG 3.82Å; W167-M210 HydrophobicContact CH2-SD 3.75Å; W167-M210 HydrophobicContact CZ2-SD 4.34Å; W167-Q213 HydrophobicContact CE3-CG 4.17Å; W167-Q213 HydrophobicContact CH2-CG 4.14Å; W167-Q213 VanDerWaalsContact CH2-NE2 3.3Å; W167-Q213 HydrophobicContact CZ3-CB 4.29Å; W167-Q213 HydrophobicContact CZ3-CG 3.62Å; W167-V214 HydrophobicContact CH2-CG2 4.08Å; W167-V214 HydrophobicContact CZ3-CG2 4.15Å; W167-A217 HydrophobicContact CE3-CB 3.81Å; W167-A217 HydrophobicContact CZ3-CB 4.24Å
168Y98.6Very high97.6Very high59 Ų5946 Ų4623%0.23123%0.229CC..Hα-helixtrans-66.8-43.4175-61.4-24.7000111.7E164 T165 N170 T171 D172 Y220E164-Y168 HydrophobicContact CG-CE1 4.26Å; E164-Y168 HydrophobicContact CG-CE2 3.91Å; E164-Y168 PolarHBondContact O-N 3.15Å; E164-Y168 VanDerWaalsContact O-N 3.16Å; E164-Y168 PolarHBondContact OE1-OH 3.14Å; T165-Y168 PolarHBondContact O-N 3.35Å; Y168-N170 PolarHBondContact O-N 3.42Å; Y168-T171 WeakPolarHBondContact O-CB 3.49Å; Y168-T171 PolarHBondContact O-N 3.39Å; Y168-D172 PolarHBondContact O-N 3.06Å; Y168-Y220 AromaticContact CD1-CD1 3.39Å; Y168-Y220 HydrophobicContact CD1-CD1 3.39Å; Y168-Y220 AromaticContact CD1-CD2 3.77Å; Y168-Y220 HydrophobicContact CD1-CD2 3.77Å; Y168-Y220 AromaticContact CD1-CE1 3.81Å; Y168-Y220 HydrophobicContact CD1-CE1 3.81Å; Y168-Y220 HydrophobicContact CD1-CE2 4.13Å; Y168-Y220 AromaticContact CD1-CG 3.37Å; Y168-Y220 HydrophobicContact CD1-CG 3.37Å; Y168-Y220 HydrophobicContact CD2-CE2 4.45Å; Y168-Y220 HydrophobicContact CE1-CD1 4.04Å; Y168-Y220 AromaticContact CE1-CD2 3.88Å; Y168-Y220 HydrophobicContact CE1-CD2 3.88Å; Y168-Y220 AromaticContact CE1-CG 3.55Å; Y168-Y220 HydrophobicContact CE1-CG 3.55Å; Y168-Y220 HydrophobicContact CG-CD1 4.06Å; Y168-Y220 HydrophobicContact CG-CD2 4.13Å; Y168-Y220 AromaticContact CG-CE1 3.99Å; Y168-Y220 HydrophobicContact CG-CE1 3.99Å; Y168-Y220 HydrophobicContact CG-CE2 4.05Å; Y168-Y220 HydrophobicContact CG-CG 4.13Å; Y168-Y220 AromaticContact CG-CZ 3.97Å
169E98.4Very high97.8Very high113 Ų11342.7 Ų42.753%0.52821%0.211SC..Hα-helixtrans-60.1-44.4175-69.7171.4163.500112.3T165 S166 T171 D172 K173T165-E169 WeakPolarHBondContact O-CG 3.24Å; T165-E169 PolarHBondContact O-N 2.98Å; S166-E169 PolarHBondContact O-N 2.82Å; E169-T171 VanDerWaalsContact C-N 3.35Å; E169-D172 PolarHBondContact O-N 2.88Å; E169-K173 VanDerWaalsContact O-CB 3.27Å; E169-K173 WeakPolarHBondContact O-CB 3.43Å; E169-K173 PolarHBondContact O-N 3.36Å
170N98.4Very high97.8Very high6 Ų645.4 Ų45.43%0.03223%0.228CC..Hα-helixtrans-66.4-37.8176.5-75.5-18000112L135 H136 Y159 S166 Y168 K173 V174L135-N170 HydrophobicContact CD1-CB 4.29Å; L135-N170 HydrophobicContact CD2-CB 4Å; H136-N170 PolarHBondContact CE1-ND2 3.35Å; Y159-N170 PolarHBondContact OH-ND2 2.91Å; Y159-N170 VanDerWaalsContact OH-ND2 3.1Å; S166-N170 VanDerWaalsContact O-CB 3.31Å; S166-N170 WeakPolarHBondContact O-CB 3.24Å; S166-N170 VanDerWaalsContact O-CG 3.22Å; S166-N170 PolarHBondContact O-N 2.97Å; S166-N170 PolarHBondContact O-ND2 2.79Å; Y168-N170 PolarHBondContact O-N 3.42Å; N170-K173 WeakPolarHBondContact O-CB 3.26Å; N170-K173 PolarHBondContact O-N 2.95Å; N170-K173 PolarHBondContact OD1-NZ 3.08Å; N170-V174 WeakPolarHBondContact O-CG2 3.49Å; N170-V174 PolarHBondContact O-N 3.06Å
171T98.8Very high97.8Very high1 Ų144.9 Ų44.91%0.00622%0.223CC..Hα-helixtrans-61.1-51.9174.6-63.50000110.8W167 Y168 E169 K173 V174 M175 Y220 I221W167-T171 WeakPolarHBondContact O-CB 3.14Å; W167-T171 PolarHBondContact O-N 2.86Å; W167-T171 PolarHBondContact O-OG1 2.77Å; Y168-T171 WeakPolarHBondContact O-CB 3.49Å; Y168-T171 PolarHBondContact O-N 3.39Å; E169-T171 VanDerWaalsContact C-N 3.35Å; T171-K173 VanDerWaalsContact C-N 3.29Å; T171-K173 PolarHBondContact O-N 3.45Å; T171-V174 PolarHBondContact O-N 3.35Å; T171-V174 VanDerWaalsContact O-N 3.16Å; T171-M175 HydrophobicContact CG2-CE 4.12Å; T171-M175 HydrophobicContact CG2-CG 4.43Å; T171-M175 WeakPolarHBondContact O-CG 3.3Å; T171-M175 PolarHBondContact O-N 3.37Å; T171-Y220 HydrophobicContact CG2-CD1 3.79Å; T171-Y220 HydrophobicContact CG2-CE1 3.92Å; T171-I221 HydrophobicContact CG2-CB 4.23Å; T171-I221 HydrophobicContact CG2-CG1 3.65Å; T171-I221 WeakPolarHBondContact OG1-CG1 3.45Å
172D98.3Very high97.8Very high59 Ų5946.6 Ų46.632%0.31624%0.235SC..Hα-helixtrans-62.3-38.7179.8-78.1-8.9000111.7Y168 E169 M175 S176 Y220 S224Y168-D172 PolarHBondContact O-N 3.06Å; E169-D172 PolarHBondContact O-N 2.88Å; D172-M175 PolarHBondContact O-N 2.79Å; D172-S176 PolarHBondContact O-N 3.1Å; D172-Y220 PolarHBondContact OD1-OH 3.34Å; D172-Y220 PolarHBondContact OD2-OH 3.45Å; D172-S224 PolarHBondContact OD1-OG 3.1Å
173K98.4Very high97.9Very high60 Ų6044.7 Ų44.726%0.26122%0.221SC..Hα-helixtrans-57.4-51172.1-171.6-171.5-60.4163.40111.2L135 E153 E169 N170 T171 M175 S176 W177L135-K173 HydrophobicContact CD1-CD 3.76Å; E153-K173 IonicContact OE1-NZ 3.47Å; E153-K173 PolarHBondContact OE1-NZ 3.39Å; E153-K173 IonicContact OE2-NZ 2.74Å; E153-K173 PolarHBondContact OE2-NZ 3.17Å; E169-K173 VanDerWaalsContact O-CB 3.27Å; E169-K173 WeakPolarHBondContact O-CB 3.43Å; E169-K173 PolarHBondContact O-N 3.36Å; N170-K173 WeakPolarHBondContact O-CB 3.26Å; N170-K173 PolarHBondContact O-N 2.95Å; N170-K173 PolarHBondContact OD1-NZ 3.08Å; T171-K173 VanDerWaalsContact C-N 3.29Å; T171-K173 PolarHBondContact O-N 3.45Å; K173-M175 PolarHBondContact O-N 3.41Å; K173-S176 PolarHBondContact O-N 3.24Å; K173-S176 PolarHBondContact O-OG 2.83Å; K173-W177 HydrophobicContact CD-CZ2 3.73Å; K173-W177 HydrophobicContact CG-CZ2 3.92Å; K173-W177 PolarHBondContact O-N 3.17Å
174V98.7Very high97.9Very high0 Ų042 Ų420%021%0.206CC..Hα-helixtrans-61.6-41.4177.2166.60000112L29 L135 N170 T171 S176 W177 F178 V186 L188L29-V174 HydrophobicContact CD1-CG1 3.89Å; L29-V174 HydrophobicContact CD2-CG1 4.35Å; L135-V174 HydrophobicContact CB-CG2 4.34Å; L135-V174 HydrophobicContact CD1-CG2 4.12Å; N170-V174 WeakPolarHBondContact O-CG2 3.49Å; N170-V174 PolarHBondContact O-N 3.06Å; T171-V174 PolarHBondContact O-N 3.35Å; T171-V174 VanDerWaalsContact O-N 3.16Å; V174-S176 VanDerWaalsContact C-N 3.32Å; V174-S176 PolarHBondContact O-N 2.89Å; V174-W177 HydrophobicContact CG2-CE3 4.26Å; V174-W177 HydrophobicContact CG2-CZ3 4.36Å; V174-W177 WeakPolarHBondContact O-CB 3.49Å; V174-W177 PolarHBondContact O-N 2.99Å; V174-W177 VanDerWaalsContact O-N 3.12Å; V174-F178 HydrophobicContact CG1-CD2 3.98Å; V174-F178 HydrophobicContact CG1-CE2 3.7Å; V174-F178 WeakPolarHBondContact O-CD2 3.33Å; V174-F178 PolarHBondContact O-N 2.81Å; V174-F178 VanDerWaalsContact O-N 3.12Å; V174-V186 HydrophobicContact CG1-CB 4.16Å; V174-V186 HydrophobicContact CG1-CG1 3.79Å; V174-V186 HydrophobicContact CG1-CG2 4.42Å; V174-V186 HydrophobicContact CG2-CG1 4Å; V174-L188 HydrophobicContact CG2-CD1 4.25Å; V174-L188 HydrophobicContact CG2-CD2 4.34Å
175M98.4Very high97.9Very high1 Ų140.1 Ų40.11%0.00520%0.198CC..Hα-helixtrans-63.5-38.5176.5-63-54.6159.500111.9L29 T171 D172 K173 W177 F178 R179 I221 A225 H228 L230 L234L29-M175 HydrophobicContact CD2-CE 3.79Å; T171-M175 HydrophobicContact CG2-CE 4.12Å; T171-M175 HydrophobicContact CG2-CG 4.43Å; T171-M175 WeakPolarHBondContact O-CG 3.3Å; T171-M175 PolarHBondContact O-N 3.37Å; D172-M175 PolarHBondContact O-N 2.79Å; K173-M175 PolarHBondContact O-N 3.41Å; M175-W177 VanDerWaalsContact C-N 3.33Å; M175-W177 PolarHBondContact O-N 3.33Å; M175-F178 PolarHBondContact O-N 2.81Å; M175-R179 WeakPolarHBondContact O-CB 3.28Å; M175-R179 PolarHBondContact O-N 3.25Å; M175-I221 HydrophobicContact CE-CG2 3.92Å; M175-A225 HydrophobicContact CE-CB 4.15Å; M175-A225 HydrophobicContact SD-CB 3.98Å; M175-H228 HydrophobicContact CB-CB 4.39Å; M175-L230 HydrophobicContact SD-CD1 3.85Å; M175-L234 HydrophobicContact SD-CD2 4.3Å
176S97.6Very high98Very high30 Ų3036 Ų3621%0.2117%0.173CC..Hα-helixtrans-65-34.4172.780.10000112.7D172 K173 V174 R179 D180D172-S176 PolarHBondContact O-N 3.1Å; K173-S176 PolarHBondContact O-N 3.24Å; K173-S176 PolarHBondContact O-OG 2.83Å; V174-S176 VanDerWaalsContact C-N 3.32Å; V174-S176 PolarHBondContact O-N 2.89Å; S176-R179 PolarHBondContact O-N 2.76Å; S176-D180 WeakPolarHBondContact O-CA 3.44Å; S176-D180 VanDerWaalsContact O-CB 3.31Å; S176-D180 WeakPolarHBondContact O-CB 3.22Å; S176-D180 PolarHBondContact O-N 3.23Å
177W98.5Very high98Very high15 Ų1535 Ų356%0.05717%0.166CC..Hα-helixtrans-63.8-43175.4-67.9-1.1000111.2L135 V151 E153 K173 V174 M175 Q181 D182 L183 V186L135-W177 HydrophobicContact CB-CH2 3.98Å; L135-W177 HydrophobicContact CB-CZ3 3.96Å; L135-W177 HydrophobicContact CD1-CH2 3.79Å; L135-W177 HydrophobicContact CD1-CZ2 4.3Å; L135-W177 HydrophobicContact CD1-CZ3 4.31Å; L135-W177 HydrophobicContact CG-CH2 4.31Å; V151-W177 HydrophobicContact CB-CD2 4.4Å; V151-W177 HydrophobicContact CG1-CD2 3.82Å; V151-W177 VanDerWaalsContact CG1-CE2 3.45Å; V151-W177 HydrophobicContact CG1-CE3 4.2Å; V151-W177 HydrophobicContact CG1-CG 4.41Å; V151-W177 HydrophobicContact CG1-CH2 3.95Å; V151-W177 HydrophobicContact CG1-CZ2 3.54Å; V151-W177 HydrophobicContact CG1-CZ3 4.27Å; E153-W177 HydrophobicContact CB-CH2 4.4Å; K173-W177 HydrophobicContact CD-CZ2 3.73Å; K173-W177 HydrophobicContact CG-CZ2 3.92Å; K173-W177 PolarHBondContact O-N 3.17Å; V174-W177 HydrophobicContact CG2-CE3 4.26Å; V174-W177 HydrophobicContact CG2-CZ3 4.36Å; V174-W177 WeakPolarHBondContact O-CB 3.49Å; V174-W177 PolarHBondContact O-N 2.99Å; V174-W177 VanDerWaalsContact O-N 3.12Å; M175-W177 VanDerWaalsContact C-N 3.33Å; M175-W177 PolarHBondContact O-N 3.33Å; W177-Q181 CarbonylContact O-C 3.44Å; W177-Q181 WeakPolarHBondContact O-CB 3.23Å; W177-Q181 PolarHBondContact O-N 3.45Å; W177-D182 PolarHBondContact O-N 3.29Å; W177-L183 HydrophobicContact CB-CD1 4.09Å; W177-L183 HydrophobicContact CB-CD2 4.22Å; W177-L183 HydrophobicContact CE3-CD2 4.46Å; W177-L183 WeakPolarHBondContact O-CD1 3.38Å; W177-L183 PolarHBondContact O-N 3.24Å; W177-V186 HydrophobicContact CE3-CG1 4.2Å; W177-V186 HydrophobicContact CE3-CG2 4.38Å; W177-V186 HydrophobicContact CZ3-CG1 4.35Å
178F98.4Very high98Very high1 Ų135 Ų350%0.00417%0.166CC..Hα-helixtrans-63-44.2173.8-77.6-62000112.8K27 V28 L29 V174 M175 D182 L183 V186 L230 L234K27-F178 HydrophobicContact CB-CD1 4.28Å; K27-F178 HydrophobicContact CB-CE1 4.12Å; K27-F178 HydrophobicContact CD-CD1 3.95Å; V28-F178 WeakPolarHBondContact O-CZ 3.32Å; L29-F178 HydrophobicContact CB-CE2 3.87Å; L29-F178 HydrophobicContact CB-CZ 3.88Å; L29-F178 HydrophobicContact CD1-CE2 4.16Å; L29-F178 HydrophobicContact CD2-CE2 4.26Å; L29-F178 HydrophobicContact CG-CE2 4.31Å; V174-F178 HydrophobicContact CG1-CD2 3.98Å; V174-F178 HydrophobicContact CG1-CE2 3.7Å; V174-F178 WeakPolarHBondContact O-CD2 3.33Å; V174-F178 PolarHBondContact O-N 2.81Å; V174-F178 VanDerWaalsContact O-N 3.12Å; M175-F178 PolarHBondContact O-N 2.81Å; F178-D182 WeakPolarHBondContact O-CA 3.41Å; F178-L183 HydrophobicContact CD1-CB 4.31Å; F178-L183 VanDerWaalsContact CD1-O 3.26Å; F178-L183 WeakPolarHBondContact CD1-O 3.48Å; F178-V186 HydrophobicContact CD1-CG2 4.41Å; F178-V186 HydrophobicContact CD2-CG2 4.33Å; F178-V186 HydrophobicContact CE1-CB 4.37Å; F178-V186 HydrophobicContact CE1-CG2 3.84Å; F178-V186 HydrophobicContact CE2-CB 3.84Å; F178-V186 HydrophobicContact CE2-CG2 3.74Å; F178-V186 HydrophobicContact CZ-CB 3.57Å; F178-V186 HydrophobicContact CZ-CG2 3.47Å; F178-V186 VanDerWaalsContact CZ-CG2 3.47Å; F178-L230 HydrophobicContact CB-CD1 3.75Å; F178-L230 HydrophobicContact CB-CD2 4.06Å; F178-L230 HydrophobicContact CG-CD1 4.42Å; F178-L234 HydrophobicContact CD1-CD1 4.23Å; F178-L234 HydrophobicContact CD2-CD1 4.26Å; F178-L234 HydrophobicContact CD2-CD2 4.48Å; F178-L234 HydrophobicContact CE1-CD1 3.86Å; F178-L234 HydrophobicContact CE2-CD1 3.89Å; F178-L234 HydrophobicContact CE2-CD2 4.49Å; F178-L234 HydrophobicContact CG-CD1 4.42Å; F178-L234 HydrophobicContact CZ-CD1 3.67Å
179R95.3Very high98Very high126 Ų12632.7 Ų32.748%0.47516%0.157SC..Hα-helixtrans-76.7-51.9-175.1-174-171.667.5-154.1-10.1113.2M175 S176 H228M175-R179 WeakPolarHBondContact O-CB 3.28Å; M175-R179 PolarHBondContact O-N 3.25Å; S176-R179 PolarHBondContact O-N 2.76Å; R179-H228 PolarHBondContact NH1-CD2 2.76Å; R179-H228 PolarHBondContact NH1-NE2 2.85Å
180D95.6Very high98.1Very high101 Ų10127.5 Ų27.554%0.5413%0.132SC..Hα-helixtrans-96.1-31.6-164.8-57-34.3000112.5S176S176-D180 WeakPolarHBondContact O-CA 3.44Å; S176-D180 VanDerWaalsContact O-CB 3.31Å; S176-D180 WeakPolarHBondContact O-CB 3.22Å; S176-D180 PolarHBondContact O-N 3.23Å
181Q96.6Very high98.1Very high84 Ų8427.2 Ų27.239%0.39313%0.131SC..SBendtrans-99.2-4.3178.6-60-171.159.400112.8K131 W177 L183K131-Q181 WeakPolarHBondContact CD-O 3.45Å; K131-Q181 PolarHBondContact NZ-O 3.33Å; W177-Q181 CarbonylContact O-C 3.44Å; W177-Q181 WeakPolarHBondContact O-CB 3.23Å; W177-Q181 PolarHBondContact O-N 3.45Å; Q181-L183 VanDerWaalsContact C-N 3.3Å; Q181-L183 HydrophobicContact CB-CD1 3.37Å; Q181-L183 PolarHBondContact O-N 2.97Å
182D96.3Very high98.1Very high77 Ų7727.1 Ų27.141%0.41213%0.13SC..  trans55.242.9-178.9-172.535.6000112.4K27 W177 F178K27-D182 IonicContact NZ-OD1 2.78Å; K27-D182 PolarHBondContact NZ-OD1 3.48Å; W177-D182 PolarHBondContact O-N 3.29Å; F178-D182 WeakPolarHBondContact O-CA 3.41Å
183L98.4Very high98.1Very high0 Ų024.3 Ų24.30%012%0.115CC..  trans-65.8149.1171.4-85.878.2000110.5K27 K131 G133 V151 W177 F178 Q181 V186K27-L183 WeakPolarHBondContact CD-O 3.27Å; K27-L183 WeakPolarHBondContact CE-O 3.48Å; K27-L183 PolarHBondContact NZ-O 3.43Å; K131-L183 HydrophobicContact CB-CG 4.27Å; G133-L183 VanDerWaalsContact N-CD2 3.33Å; V151-L183 HydrophobicContact CB-CD2 4.26Å; V151-L183 HydrophobicContact CG2-CD1 3.89Å; V151-L183 HydrophobicContact CG2-CD2 4.27Å; W177-L183 HydrophobicContact CB-CD1 4.09Å; W177-L183 HydrophobicContact CB-CD2 4.22Å; W177-L183 HydrophobicContact CE3-CD2 4.46Å; W177-L183 WeakPolarHBondContact O-CD1 3.38Å; W177-L183 PolarHBondContact O-N 3.24Å; F178-L183 HydrophobicContact CD1-CB 4.31Å; F178-L183 VanDerWaalsContact CD1-O 3.26Å; F178-L183 WeakPolarHBondContact CD1-O 3.48Å; Q181-L183 VanDerWaalsContact C-N 3.3Å; Q181-L183 HydrophobicContact CB-CD1 3.37Å; Q181-L183 PolarHBondContact O-N 2.97Å; L183-V186 HydrophobicContact CB-CG2 4.19Å; L183-V186 HydrophobicContact CD2-CG2 3.74Å
184D98.6Very high98.1Very high1 Ų122.1 Ų22.11%0.00511%0.106CC..SBendtrans-109.5-30.5179.9-56.3-57.7000112.2K25 K27 V28 L130 K131 L391K25-D184 WeakPolarHBondContact CD-OD1 3.4Å; K25-D184 WeakPolarHBondContact CE-OD1 3.49Å; K25-D184 WeakPolarHBondContact CE-OD2 3.42Å; K25-D184 IonicContact NZ-OD1 3.54Å; K25-D184 PolarHBondContact NZ-OD1 2.94Å; K25-D184 IonicContact NZ-OD2 3.65Å; K25-D184 PolarHBondContact NZ-OD2 3.41Å; K27-D184 CarbonylContact C-O 3.32Å; K27-D184 WeakPolarHBondContact CA-O 3.2Å; K27-D184 WeakPolarHBondContact CB-O 3.41Å; K27-D184 IonicContact NZ-OD1 3.03Å; K27-D184 PolarHBondContact NZ-OD1 2.88Å; V28-D184 PolarHBondContact N-O 3.5Å; L130-D184 VanDerWaalsContact CA-OD2 3.32Å; L130-D184 WeakPolarHBondContact CA-OD2 3.31Å; L130-D184 HydrophobicContact CB-CB 4.09Å; L130-D184 WeakPolarHBondContact CB-OD2 3.3Å; L130-D184 HydrophobicContact CD1-CB 4.27Å; L130-D184 HydrophobicContact CD2-CB 4.42Å; K131-D184 PolarHBondContact N-OD2 2.83Å; K131-D184 PolarHBondContact O-N 2.89Å; D184-L391 HydrophobicContact CB-CD2 4.37Å; D184-L391 WeakPolarHBondContact O-CD2 3.44Å
185F98.9Very high98.1Very high0 Ų024.9 Ų24.90%012%0.123CC..EExtended strand (participates in β ladder)trans-128.7135.8174.8175.1-93.9000110.1V28 L30 L78 I121 W122 K131 A132 G133 M387 L391V28-F185 HydrophobicContact CB-CD2 4.05Å; V28-F185 HydrophobicContact CG1-CD2 3.96Å; V28-F185 HydrophobicContact CG1-CE2 4.11Å; V28-F185 CarbonylContact O-C 3.19Å; V28-F185 VanDerWaalsContact O-CA 3.3Å; V28-F185 WeakPolarHBondContact O-CA 3.49Å; L30-F185 HydrophobicContact CB-CE2 4.12Å; L30-F185 HydrophobicContact CB-CZ 4.2Å; L30-F185 HydrophobicContact CD2-CZ 4.49Å; L78-F185 HydrophobicContact CD2-CZ 4.46Å; I121-F185 HydrophobicContact CD1-CE2 4.37Å; I121-F185 HydrophobicContact CG2-CD1 4.12Å; I121-F185 HydrophobicContact CG2-CD2 4.4Å; I121-F185 HydrophobicContact CG2-CE1 3.5Å; I121-F185 VanDerWaalsContact CG2-CE1 3.5Å; I121-F185 HydrophobicContact CG2-CE2 3.81Å; I121-F185 HydrophobicContact CG2-CZ 3.31Å; W122-F185 HydrophobicContact CB-CD1 4.31Å; W122-F185 HydrophobicContact CB-CE1 4.5Å; W122-F185 HydrophobicContact CE3-CE1 4.3Å; K131-F185 PolarHBondContact O-N 3.35Å; A132-F185 CarbonylContact C-O 3.48Å; A132-F185 VanDerWaalsContact CA-O 3.27Å; A132-F185 WeakPolarHBondContact CA-O 3.25Å; A132-F185 HydrophobicContact CB-CB 4.17Å; A132-F185 HydrophobicContact CB-CD1 4.18Å; G133-F185 PolarHBondContact N-O 3.41Å; F185-M387 HydrophobicContact CE2-SD 3.8Å; F185-L391 HydrophobicContact CB-CD1 4.1Å; F185-L391 HydrophobicContact CB-CD2 4.42Å; F185-L391 HydrophobicContact CD2-CD1 4.09Å; F185-L391 HydrophobicContact CG-CD1 4.41Å
186V98.9Very high98.1Very high0 Ų025.4 Ų25.40%013%0.126CC..EExtended strand (participates in β ladder)trans-135.9133.1165.4-178.70000109.9V28 L29 L30 G133 V174 W177 F178 L183V28-V186 PolarHBondContact O-N 3.04Å; L29-V186 WeakPolarHBondContact CA-O 3.35Å; L29-V186 HydrophobicContact CD1-CB 4.16Å; L29-V186 HydrophobicContact CD1-CG1 4.33Å; L29-V186 WeakPolarHBondContact CD1-O 3.44Å; L30-V186 PolarHBondContact N-O 3.28Å; G133-V186 VanDerWaalsContact O-CA 3.31Å; G133-V186 WeakPolarHBondContact O-CA 3.49Å; V174-V186 HydrophobicContact CG1-CB 4.16Å; V174-V186 HydrophobicContact CG1-CG1 3.79Å; V174-V186 HydrophobicContact CG1-CG2 4.42Å; V174-V186 HydrophobicContact CG2-CG1 4Å; W177-V186 HydrophobicContact CE3-CG1 4.2Å; W177-V186 HydrophobicContact CE3-CG2 4.38Å; W177-V186 HydrophobicContact CZ3-CG1 4.35Å; F178-V186 HydrophobicContact CD1-CG2 4.41Å; F178-V186 HydrophobicContact CD2-CG2 4.33Å; F178-V186 HydrophobicContact CE1-CB 4.37Å; F178-V186 HydrophobicContact CE1-CG2 3.84Å; F178-V186 HydrophobicContact CE2-CB 3.84Å; F178-V186 HydrophobicContact CE2-CG2 3.74Å; F178-V186 HydrophobicContact CZ-CB 3.57Å; F178-V186 HydrophobicContact CZ-CG2 3.47Å; F178-V186 VanDerWaalsContact CZ-CG2 3.47Å; L183-V186 HydrophobicContact CB-CG2 4.19Å; L183-V186 HydrophobicContact CD2-CG2 3.74Å
187S98.9Very high98.2Very high0 Ų024 Ų240%012%0.116CC..EExtended strand (participates in β ladder)trans-98.2130.7163.443.40000110.5L30 G133 S134 L135L30-S187 CarbonylContact O-C 3.58Å; L30-S187 WeakPolarHBondContact O-CA 3.38Å; G133-S187 PolarHBondContact O-N 3.32Å; G133-S187 VanDerWaalsContact O-N 3.13Å; S134-S187 CarbonylContact C-O 3.6Å; S134-S187 WeakPolarHBondContact CA-O 3.39Å; S134-S187 VanDerWaalsContact CB-OG 3.25Å; S134-S187 WeakPolarHBondContact CB-OG 3.37Å; S134-S187 PolarHBondContact OG-OG 2.98Å; L135-S187 PolarHBondContact N-O 3.04Å
188L98.9Very high98.2Very high1 Ų124.5 Ų24.51%0.00512%0.12CC..EExtended strand (participates in β ladder)trans-128.2130.4-178.1172.460000109.5L29 L30 I31 S32 L135 V174 F190L29-L188 HydrophobicContact CD1-CB 4.07Å; L30-L188 PolarHBondContact O-N 3.47Å; I31-L188 CarbonylContact C-O 3.57Å; I31-L188 VanDerWaalsContact CA-O 3.27Å; I31-L188 WeakPolarHBondContact CA-O 3.31Å; I31-L188 HydrophobicContact CG1-CB 4.19Å; I31-L188 HydrophobicContact CG1-CD2 4.26Å; S32-L188 PolarHBondContact N-O 3.1Å; L135-L188 HydrophobicContact CB-CD1 4.1Å; L135-L188 HydrophobicContact CD2-CD1 3.48Å; L135-L188 VanDerWaalsContact CD2-CD1 3.48Å; L135-L188 HydrophobicContact CG-CD1 4.27Å; V174-L188 HydrophobicContact CG2-CD1 4.25Å; V174-L188 HydrophobicContact CG2-CD2 4.34Å; L188-F190 HydrophobicContact CD1-CE2 4.37Å; L188-F190 HydrophobicContact CD1-CZ 4.27Å; L188-F190 HydrophobicContact CD2-CE2 3.7Å; L188-F190 HydrophobicContact CD2-CZ 3.79Å; L188-F190 HydrophobicContact CG-CD2 4.45Å; L188-F190 HydrophobicContact CG-CE2 3.73Å; L188-F190 HydrophobicContact CG-CZ 4.04Å
189Y98.9Very high98.2Very high11 Ų1130.5 Ų30.54%0.04315%0.146CC..EExtended strand (participates in β ladder)trans-118.9142-177.2166.6-95.3000112D34 H74 L135 H136 Y161 G191D34-Y189 HydrophobicContact CB-CE2 3.72Å; D34-Y189 WeakPolarHBondContact OD2-CE2 3.4Å; D34-Y189 PolarHBondContact OD2-OH 2.94Å; H74-Y189 AromaticContact CE1-CD2 3.91Å; H74-Y189 AromaticContact CE1-CE2 3.66Å; H74-Y189 AromaticContact NE2-CD2 3.46Å; H74-Y189 WeakPolarHBondContact NE2-CD2 3.36Å; H74-Y189 AromaticContact NE2-CE2 3.69Å; L135-Y189 PolarHBondContact O-N 3.22Å; L135-Y189 VanDerWaalsContact O-N 3.13Å; H136-Y189 HydrophobicContact CB-CD1 4Å; H136-Y189 VanDerWaalsContact O-CD1 3.25Å; H136-Y189 WeakPolarHBondContact O-CD1 3.4Å; Y161-Y189 HydrophobicContact CD1-CE1 4.25Å; Y161-Y189 HydrophobicContact CE1-CD1 4.38Å; Y161-Y189 AromaticContact CE1-CE1 3.6Å; Y161-Y189 HydrophobicContact CE1-CE1 3.6Å; Y189-G191 VanDerWaalsContact OH-CA 3.31Å; Y189-G191 WeakPolarHBondContact OH-CA 3.33Å
190F98.8Very high98.4Very high3 Ų328.4 Ų28.41%0.01314%0.138CC..EExtended strand (participates in β ladder)trans-127.6127.5169.5-62.1-81.6000108.8I31 S32 F33 D34 W167 L188 E192 I221I31-F190 HydrophobicContact CG2-CD2 3.87Å; I31-F190 HydrophobicContact CG2-CE2 3.8Å; S32-F190 PolarHBondContact O-N 3.22Å; F33-F190 HydrophobicContact CD1-CB 3.63Å; F33-F190 AromaticContact CD1-CD2 3.73Å; F33-F190 HydrophobicContact CD1-CD2 3.73Å; F33-F190 AromaticContact CD1-CG 3.87Å; F33-F190 HydrophobicContact CD1-CG 3.87Å; F33-F190 HydrophobicContact CE1-CB 3.97Å; F33-F190 HydrophobicContact CE1-CD1 4.45Å; F33-F190 AromaticContact CE1-CD2 3.35Å; F33-F190 HydrophobicContact CE1-CD2 3.35Å; F33-F190 AromaticContact CE1-CE2 3.88Å; F33-F190 HydrophobicContact CE1-CE2 3.88Å; F33-F190 AromaticContact CE1-CG 3.68Å; F33-F190 HydrophobicContact CE1-CG 3.68Å; F33-F190 HydrophobicContact CE2-CD2 4.45Å; F33-F190 HydrophobicContact CG-CB 4.48Å; F33-F190 HydrophobicContact CG-CD2 4.41Å; F33-F190 AromaticContact CZ-CD2 3.77Å; F33-F190 HydrophobicContact CZ-CD2 3.77Å; F33-F190 AromaticContact CZ-CE2 3.93Å; F33-F190 HydrophobicContact CZ-CE2 3.93Å; D34-F190 WeakPolarHBondContact CB-O 3.44Å; D34-F190 PolarHBondContact N-O 3.39Å; W167-F190 HydrophobicContact CB-CD1 4.23Å; W167-F190 HydrophobicContact CB-CE1 3.58Å; W167-F190 HydrophobicContact CB-CZ 4.46Å; W167-F190 AromaticContact CD1-CD1 3.68Å; W167-F190 AromaticContact CD1-CE1 3.84Å; W167-F190 AromaticContact CD2-CD1 3.84Å; W167-F190 HydrophobicContact CD2-CD1 3.84Å; W167-F190 HydrophobicContact CD2-CE1 4.08Å; W167-F190 AromaticContact CE2-CD1 3.95Å; W167-F190 AromaticContact CG-CD1 3.68Å; W167-F190 HydrophobicContact CG-CD1 3.68Å; W167-F190 AromaticContact CG-CE1 3.55Å; W167-F190 HydrophobicContact CG-CE1 3.55Å; W167-F190 AromaticContact NE1-CD1 3.85Å; L188-F190 HydrophobicContact CD1-CE2 4.37Å; L188-F190 HydrophobicContact CD1-CZ 4.27Å; L188-F190 HydrophobicContact CD2-CE2 3.7Å; L188-F190 HydrophobicContact CD2-CZ 3.79Å; L188-F190 HydrophobicContact CG-CD2 4.45Å; L188-F190 HydrophobicContact CG-CE2 3.73Å; L188-F190 HydrophobicContact CG-CZ 4.04Å; F190-E192 PolarHBondContact O-N 3.49Å; F190-E192 VanDerWaalsContact O-N 3.16Å; F190-I221 HydrophobicContact CE2-CD1 4.14Å; F190-I221 HydrophobicContact CZ-CD1 4.31Å
191G98.4Very high98.5Very high0 Ų023.8 Ų23.80%012%0.115CC..  trans-81.320.4-179.500000115.2Y189 V195Y189-G191 VanDerWaalsContact OH-CA 3.31Å; Y189-G191 WeakPolarHBondContact OH-CA 3.33Å; G191-V195 WeakPolarHBondContact O-CG2 3.36Å; G191-V195 PolarHBondContact O-N 3.15Å
192E98.8Very high98.6Very high0 Ų019.8 Ų19.80%010%0.096CC..THydrogen-bonded Turntrans-127.5148.5176.8-71.8-75.1-166.600108.9F33 D34 S162 W167 F190 T196 M210F33-E192 CarbonylContact C-O 3.42Å; F33-E192 WeakPolarHBondContact CB-O 3.48Å; D34-E192 CarbonylContact O-C 3.59Å; S162-E192 WeakPolarHBondContact CB-OE1 3.41Å; S162-E192 PolarHBondContact OG-OE1 2.8Å; W167-E192 HydrophobicContact CH2-CB 3.81Å; W167-E192 HydrophobicContact CH2-CG 4.3Å; W167-E192 HydrophobicContact CZ2-CB 3.7Å; W167-E192 HydrophobicContact CZ2-CG 3.82Å; F190-E192 PolarHBondContact O-N 3.49Å; F190-E192 VanDerWaalsContact O-N 3.16Å; E192-T196 VanDerWaalsContact CD-OG1 3.28Å; E192-T196 PolarHBondContact OE1-OG1 3.26Å; E192-T196 VanDerWaalsContact OE2-CB 3.26Å; E192-T196 WeakPolarHBondContact OE2-CB 3.4Å; E192-T196 PolarHBondContact OE2-N 2.92Å; E192-T196 PolarHBondContact OE2-OG1 3.12Å; E192-M210 HydrophobicContact CB-CG 3.9Å; E192-M210 HydrophobicContact CB-SD 3.75Å; E192-M210 HydrophobicContact CG-CE 4.09Å; E192-M210 HydrophobicContact CG-CG 4.23Å; E192-M210 HydrophobicContact CG-SD 3.77Å
193P98.8Very high98.7Very high0 Ų020.2 Ų20.20%010%0.098CC..THydrogen-bonded Turncis-85.38.711.335.1-38.4000116.7D34 F36 Y40 V195 T196 G197 M210D34-P193 WeakPolarHBondContact O-CD 3.47Å; D34-P193 VanDerWaalsContact O-N 3.12Å; F36-P193 HydrophobicContact CB-CG 4.09Å; F36-P193 HydrophobicContact CD2-CG 4Å; F36-P193 HydrophobicContact CG-CG 4.25Å; Y40-P193 HydrophobicContact CD2-CG 3.86Å; Y40-P193 HydrophobicContact CE2-CB 4.42Å; Y40-P193 HydrophobicContact CE2-CG 3.78Å; P193-V195 PolarHBondContact O-N 3.48Å; P193-T196 PolarHBondContact O-N 3.36Å; P193-G197 PolarHBondContact O-N 3.04Å; P193-M210 HydrophobicContact CB-CB 4.43Å; P193-M210 HydrophobicContact CB-CG 3.9Å
194D98.8Very high98.7Very high13 Ų1320.7 Ų20.77%0.0710%0.102CC..Hα-helixtrans-50.8-55.8-179.1-178.869.2000114.2D34 T196 G197 H198 H242 M244 H349D34-D194 HydrophobicContact CB-CB 3.75Å; D34-D194 WeakPolarHBondContact O-CB 3.44Å; D34-D194 PolarHBondContact O-N 2.86Å; D34-D194 VanDerWaalsContact OD1-CB 3.27Å; D34-D194 WeakPolarHBondContact OD1-CB 3.32Å; D194-T196 VanDerWaalsContact C-N 3.28Å; D194-T196 PolarHBondContact O-N 3.48Å; D194-G197 CarbonylContact O-C 3.55Å; D194-G197 WeakPolarHBondContact O-CA 3.37Å; D194-G197 PolarHBondContact O-N 3.28Å; D194-H198 PolarHBondContact O-N 3.13Å; D194-H198 IonicContact OD1-CD2 3.96Å; D194-H198 IonicContact OD1-NE2 3.85Å; D194-H198 PolarHBondContact OD1-NE2 3.08Å; D194-H198 IonicContact OD2-CD2 2.63Å; D194-H198 PolarHBondContact OD2-CD2 2.78Å; D194-H198 IonicContact OD2-NE2 2.82Å; D194-H198 PolarHBondContact OD2-NE2 2.82Å; D194-H242 IonicContact OD1-CE1 2.8Å; D194-M244 WeakPolarHBondContact OD1-CE 3.45Å; D194-H349 IonicContact OD1-CD2 2.78Å; D194-H349 IonicContact OD1-NE2 3.86Å
195V98.6Very high98.7Very high58 Ų5824.9 Ų24.935%0.35213%0.129SC..Hα-helixtrans-56.4-43.7-178.9169.30000111.6Y161 G191 P193 K199Y161-V195 HydrophobicContact CD2-CG2 4.25Å; G191-V195 WeakPolarHBondContact O-CG2 3.36Å; G191-V195 PolarHBondContact O-N 3.15Å; P193-V195 PolarHBondContact O-N 3.48Å; V195-K199 WeakPolarHBondContact O-CB 3.47Å; V195-K199 PolarHBondContact O-N 2.8Å
196T98.9Very high98.7Very high12 Ų1228.8 Ų28.87%0.07415%0.147CC..Hα-helixtrans-66.5-42.5175.5-60.60000111.6E192 P193 D194 K199 Y200 E206 R207 M210E192-T196 VanDerWaalsContact CD-OG1 3.28Å; E192-T196 PolarHBondContact OE1-OG1 3.26Å; E192-T196 VanDerWaalsContact OE2-CB 3.26Å; E192-T196 WeakPolarHBondContact OE2-CB 3.4Å; E192-T196 PolarHBondContact OE2-N 2.92Å; E192-T196 PolarHBondContact OE2-OG1 3.12Å; P193-T196 PolarHBondContact O-N 3.36Å; D194-T196 VanDerWaalsContact C-N 3.28Å; D194-T196 PolarHBondContact O-N 3.48Å; T196-K199 PolarHBondContact O-N 2.95Å; T196-Y200 HydrophobicContact CG2-CD2 3.96Å; T196-Y200 PolarHBondContact O-N 3.21Å; T196-E206 HydrophobicContact CG2-CB 3.95Å; T196-R207 HydrophobicContact CG2-CB 4.43Å; T196-M210 HydrophobicContact CG2-CB 4.07Å; T196-M210 WeakPolarHBondContact OG1-CE 3.27Å
197G98.8Very high98.7Very high0 Ų028.8 Ų28.80%015%0.147CC..Hα-helixtrans-59.5-46.2177.700000112.6P193 D194 G201 G347P193-G197 PolarHBondContact O-N 3.04Å; D194-G197 CarbonylContact O-C 3.55Å; D194-G197 WeakPolarHBondContact O-CA 3.37Å; D194-G197 PolarHBondContact O-N 3.28Å; G197-G201 CarbonylContact O-C 3.53Å; G197-G201 WeakPolarHBondContact O-CA 3.38Å; G197-G201 PolarHBondContact O-N 2.86Å; G197-G347 PolarHBondContact O-N 3.3Å
198H98.8Very high98.7Very high27 Ų2733.4 Ų33.413%0.12517%0.165CC..Hα-helixtrans-59.1-48.5173.8-81-49.7000112.5D194 N345 K346 G347 E348 H349D194-H198 PolarHBondContact O-N 3.13Å; D194-H198 IonicContact OD1-CD2 3.96Å; D194-H198 IonicContact OD1-NE2 3.85Å; D194-H198 PolarHBondContact OD1-NE2 3.08Å; D194-H198 IonicContact OD2-CD2 2.63Å; D194-H198 PolarHBondContact OD2-CD2 2.78Å; D194-H198 IonicContact OD2-NE2 2.82Å; D194-H198 PolarHBondContact OD2-NE2 2.82Å; H198-N345 HydrophobicContact CB-CB 4.36Å; H198-N345 PolarHBondContact ND1-ND2 3.23Å; H198-N345 CarbonylContact O-C 3.57Å; H198-N345 WeakPolarHBondContact O-CA 3.32Å; H198-K346 PolarHBondContact O-N 2.82Å; H198-G347 WeakPolarHBondContact CA-O 3.16Å; H198-G347 PolarHBondContact ND1-O 3.11Å; H198-G347 PolarHBondContact O-N 3.47Å; H198-E348 IonicContact CE1-OE2 2.97Å; H198-E348 PolarHBondContact CE1-OE2 2.87Å; H198-E348 IonicContact ND1-OE2 2.71Å; H198-H349 AromaticContact CE1-CD2 3.35Å; H198-H349 PolarHBondContact CE1-CD2 3.24Å; H198-H349 AromaticContact CE1-NE2 3.52Å; H198-H349 AromaticContact NE2-CD2 3.59Å; H198-H349 AromaticContact NE2-NE2 3.39Å; H198-H349 PolarHBondContact NE2-NE2 3.22Å
199K98.6Very high98.7Very high127 Ų12737.8 Ų37.855%0.55219%0.185SC*.Hα-helixtrans-71.9-40.5-172-175.9173.8175.6-162.10113V195 T196 K346V195-K199 WeakPolarHBondContact O-CB 3.47Å; V195-K199 PolarHBondContact O-N 2.8Å; T196-K199 PolarHBondContact O-N 2.95Å; K199-K346 WeakPolarHBondContact O-CD 3.34Å
200Y98.7Very high98.7Very high81 Ų8138.1 Ų38.132%0.31819%0.187SC..Hα-helixtrans-111.2-19.6-170.8-62.9-79.5000113.8T196 S204 E206 K346T196-Y200 HydrophobicContact CG2-CD2 3.96Å; T196-Y200 PolarHBondContact O-N 3.21Å; Y200-S204 WeakPolarHBondContact CB-OG 3.38Å; Y200-S204 WeakPolarHBondContact O-CB 3.37Å; Y200-E206 HydrophobicContact CD1-CB 4.19Å; Y200-E206 HydrophobicContact CD1-CG 3.69Å; Y200-E206 HydrophobicContact CD2-CB 3.71Å; Y200-E206 HydrophobicContact CD2-CG 3.96Å; Y200-E206 HydrophobicContact CE1-CG 3.89Å; Y200-E206 HydrophobicContact CE2-CB 4.22Å; Y200-E206 HydrophobicContact CE2-CG 4.14Å; Y200-E206 HydrophobicContact CG-CB 3.68Å; Y200-E206 HydrophobicContact CG-CG 3.73Å; Y200-K346 WeakPolarHBondContact O-CD 3.01Å
201G98.6Very high98.7Very high5 Ų538 Ų385%0.05219%0.187CC..  trans98.8150.6-174.100000111.6G197 D203 S204G197-G201 CarbonylContact O-C 3.53Å; G197-G201 WeakPolarHBondContact O-CA 3.38Å; G197-G201 PolarHBondContact O-N 2.86Å; G201-D203 PolarHBondContact O-N 3.02Å; G201-S204 VanDerWaalsContact O-CB 3.26Å; G201-S204 WeakPolarHBondContact O-CB 3.18Å; G201-S204 PolarHBondContact O-N 3.41Å; G201-S204 PolarHBondContact O-OG 3.41Å
202P98.6Very high98.7Very high0 Ų041.9 Ų41.90%020%0.204CC..THydrogen-bonded Turntrans-66.6-21.5-175.928.5-37.6000113.6Y40 R207 M244 T246Y40-P202 HydrophobicContact CE1-CB 4.09Å; Y40-P202 WeakPolarHBondContact OH-CA 3.48Å; Y40-P202 WeakPolarHBondContact OH-CB 3.42Å; P202-R207 VanDerWaalsContact O-CZ 3.22Å; P202-R207 PolarHBondContact O-NE 3.16Å; P202-R207 PolarHBondContact O-NH2 3.21Å; P202-M244 HydrophobicContact CB-CB 4.13Å; P202-M244 HydrophobicContact CB-CG 3.84Å; P202-M244 HydrophobicContact CG-CG 4.19Å; P202-T246 WeakPolarHBondContact CD-OG1 3.11Å; P202-T246 VanDerWaalsContact CG-OG1 3.25Å; P202-T246 WeakPolarHBondContact CG-OG1 3.19Å
203D98.1Very high98.7Very high85 Ų8543.1 Ų43.146%0.45521%0.209SC..THydrogen-bonded Turntrans-100.810.8-179.1-54.3-49.1000113.1R37 G201 T246R37-D203 IonicContact NH2-OD1 3.09Å; R37-D203 PolarHBondContact NH2-OD1 3.06Å; G201-D203 PolarHBondContact O-N 3.02Å; D203-T246 PolarHBondContact OD2-OG1 3.02Å
204S98.7Very high98.7Very high11 Ų1143.1 Ų43.18%0.07721%0.21CC..SBendtrans-75.7152.7-17666.90000113.5Y200 G201 E206 R207 R208Y200-S204 WeakPolarHBondContact CB-OG 3.38Å; Y200-S204 WeakPolarHBondContact O-CB 3.37Å; G201-S204 VanDerWaalsContact O-CB 3.26Å; G201-S204 WeakPolarHBondContact O-CB 3.18Å; G201-S204 PolarHBondContact O-N 3.41Å; G201-S204 PolarHBondContact O-OG 3.41Å; S204-E206 WeakPolarHBondContact CB-OE2 3.37Å; S204-E206 PolarHBondContact O-N 2.88Å; S204-R207 PolarHBondContact O-N 3.5Å; S204-R207 WeakPolarHBondContact OG-CB 3.3Å; S204-R207 PolarHBondContact OG-N 3.29Å; S204-R207 VanDerWaalsContact OG-N 3.12Å; S204-R208 PolarHBondContact O-N 3.2Å
205P98.7Very high98.7Very high89 Ų8942.8 Ų42.858%0.57821%0.208SC*.Hα-helixtrans-62.8-30.317125.5-32.2000112.6R208 E209P205-R208 PolarHBondContact O-N 2.99Å; P205-E209 PolarHBondContact O-N 3.44Å
206E98.8Very high98.8Very high81 Ų8144.3 Ų44.338%0.37921%0.207SC..Hα-helixtrans-62.9-44.5175-66.284.8171.800111.6T196 Y200 S204 R208 E209 M210T196-E206 HydrophobicContact CG2-CB 3.95Å; Y200-E206 HydrophobicContact CD1-CB 4.19Å; Y200-E206 HydrophobicContact CD1-CG 3.69Å; Y200-E206 HydrophobicContact CD2-CB 3.71Å; Y200-E206 HydrophobicContact CD2-CG 3.96Å; Y200-E206 HydrophobicContact CE1-CG 3.89Å; Y200-E206 HydrophobicContact CE2-CB 4.22Å; Y200-E206 HydrophobicContact CE2-CG 4.14Å; Y200-E206 HydrophobicContact CG-CB 3.68Å; Y200-E206 HydrophobicContact CG-CG 3.73Å; S204-E206 WeakPolarHBondContact CB-OE2 3.37Å; S204-E206 PolarHBondContact O-N 2.88Å; E206-R208 VanDerWaalsContact C-N 3.32Å; E206-R208 PolarHBondContact O-N 2.9Å; E206-E209 PolarHBondContact O-N 2.83Å; E206-M210 PolarHBondContact O-N 3.32Å
207R98.8Very high98.8Very high1 Ų143.7 Ų43.70%0.00420%0.203CC..Hα-helixtrans-58.9-44.9173.9-175.7-81.3-63.5172.6-1.2110.9Y40 D43 T196 P202 S204 E209 M210 V211Y40-R207 VanDerWaalsContact CD1-CZ 3.45Å; Y40-R207 HydrophobicContact CD2-CG 4.49Å; Y40-R207 HydrophobicContact CE1-CG 4.38Å; Y40-R207 HydrophobicContact CE2-CG 3.96Å; Y40-R207 PolarHBondContact O-NH1 2.91Å; D43-R207 IonicContact OD1-CZ 3.41Å; D43-R207 IonicContact OD1-NH1 3.55Å; D43-R207 PolarHBondContact OD1-NH1 3.38Å; D43-R207 IonicContact OD1-NH2 3.15Å; D43-R207 PolarHBondContact OD1-NH2 3.29Å; D43-R207 IonicContact OD2-CZ 3.95Å; D43-R207 IonicContact OD2-NH1 3.87Å; D43-R207 IonicContact OD2-NH2 2.82Å; D43-R207 PolarHBondContact OD2-NH2 3.3Å; T196-R207 HydrophobicContact CG2-CB 4.43Å; P202-R207 VanDerWaalsContact O-CZ 3.22Å; P202-R207 PolarHBondContact O-NE 3.16Å; P202-R207 PolarHBondContact O-NH2 3.21Å; S204-R207 PolarHBondContact O-N 3.5Å; S204-R207 WeakPolarHBondContact OG-CB 3.3Å; S204-R207 PolarHBondContact OG-N 3.29Å; S204-R207 VanDerWaalsContact OG-N 3.12Å; R207-E209 VanDerWaalsContact C-N 3.29Å; R207-E209 PolarHBondContact O-N 3.44Å; R207-M210 WeakPolarHBondContact O-CB 3.16Å; R207-M210 PolarHBondContact O-N 2.82Å; R207-M210 VanDerWaalsContact O-N 3.14Å; R207-V211 WeakPolarHBondContact O-CG2 3.33Å; R207-V211 PolarHBondContact O-N 3.16Å
208R98.9Very high98.8Very high97 Ų9743.7 Ų43.737%0.36620%0.203SC..Hα-helixtrans-59.4-40.3178.4-67.3-176.7-177140.96.5112.3D43 V44 S204 P205 E206 V211 K212D43-R208 IonicContact OD2-CZ 3.97Å; D43-R208 IonicContact OD2-NE 2.94Å; D43-R208 PolarHBondContact OD2-NE 3.3Å; D43-R208 IonicContact OD2-NH2 3.97Å; D43-R208 PolarHBondContact OD2-NH2 3.46Å; V44-R208 HydrophobicContact CG2-CB 3.76Å; V44-R208 HydrophobicContact CG2-CG 3.75Å; S204-R208 PolarHBondContact O-N 3.2Å; P205-R208 PolarHBondContact O-N 2.99Å; E206-R208 VanDerWaalsContact C-N 3.32Å; E206-R208 PolarHBondContact O-N 2.9Å; R208-V211 PolarHBondContact O-N 3.5Å; R208-K212 PolarHBondContact O-N 2.94Å; R208-K212 VanDerWaalsContact O-N 3.15Å
209E98.9Very high98.8Very high93 Ų9342.6 Ų42.644%0.43520%0.199SC..Hα-helixtrans-67.2-39.3175.9-169.155.2-143.500111.9P205 E206 R207 V211 K212 Q213P205-E209 PolarHBondContact O-N 3.44Å; E206-E209 PolarHBondContact O-N 2.83Å; R207-E209 VanDerWaalsContact C-N 3.29Å; R207-E209 PolarHBondContact O-N 3.44Å; E209-V211 VanDerWaalsContact C-N 3.32Å; E209-V211 PolarHBondContact O-N 2.88Å; E209-K212 WeakPolarHBondContact O-CB 3.47Å; E209-K212 PolarHBondContact O-N 3.16Å; E209-K212 WeakPolarHBondContact OE2-CD 3.32Å; E209-K212 IonicContact OE2-NZ 3.49Å; E209-K212 PolarHBondContact OE2-NZ 3.25Å; E209-Q213 PolarHBondContact O-N 3.06Å; E209-Q213 VanDerWaalsContact O-N 3.11Å
210M98.9Very high98.8Very high17 Ų1739.3 Ų39.38%0.08418%0.184CC..Hα-helixtrans-62.4-38.8173.6-172.652.465.400112.1W167 E192 P193 T196 E206 R207 K212 Q213 V214W167-M210 HydrophobicContact CH2-SD 3.75Å; W167-M210 HydrophobicContact CZ2-SD 4.34Å; E192-M210 HydrophobicContact CB-CG 3.9Å; E192-M210 HydrophobicContact CB-SD 3.75Å; E192-M210 HydrophobicContact CG-CE 4.09Å; E192-M210 HydrophobicContact CG-CG 4.23Å; E192-M210 HydrophobicContact CG-SD 3.77Å; P193-M210 HydrophobicContact CB-CB 4.43Å; P193-M210 HydrophobicContact CB-CG 3.9Å; T196-M210 HydrophobicContact CG2-CB 4.07Å; T196-M210 WeakPolarHBondContact OG1-CE 3.27Å; E206-M210 PolarHBondContact O-N 3.32Å; R207-M210 WeakPolarHBondContact O-CB 3.16Å; R207-M210 PolarHBondContact O-N 2.82Å; R207-M210 VanDerWaalsContact O-N 3.14Å; M210-K212 VanDerWaalsContact C-N 3.33Å; M210-K212 PolarHBondContact O-N 2.9Å; M210-Q213 WeakPolarHBondContact O-CA 3.06Å; M210-Q213 VanDerWaalsContact O-CB 3.3Å; M210-Q213 WeakPolarHBondContact O-CB 3.3Å; M210-Q213 PolarHBondContact O-N 3.22Å; M210-Q213 HydrophobicContact SD-CB 4.22Å; M210-V214 PolarHBondContact O-N 2.78Å
211V98.9Very high98.8Very high0 Ų035.4 Ų35.40%017%0.169CC..Hα-helixtrans-64.4-36.3175.1171.90000111.8F36 Y40 V44 T46 R207 R208 E209 Q213 V214 D215F36-V211 HydrophobicContact CE2-CG1 4.15Å; F36-V211 HydrophobicContact CE2-CG2 4.34Å; F36-V211 HydrophobicContact CZ-CG1 3.95Å; Y40-V211 HydrophobicContact CD2-CG2 4.03Å; Y40-V211 HydrophobicContact CG-CG2 4.25Å; V44-V211 HydrophobicContact CB-CB 4.49Å; V44-V211 HydrophobicContact CB-CG1 3.99Å; V44-V211 HydrophobicContact CG1-CB 4.25Å; V44-V211 HydrophobicContact CG1-CG1 3.94Å; V44-V211 HydrophobicContact CG2-CB 4.15Å; V44-V211 HydrophobicContact CG2-CG1 4.08Å; T46-V211 HydrophobicContact CG2-CG1 3.87Å; R207-V211 WeakPolarHBondContact O-CG2 3.33Å; R207-V211 PolarHBondContact O-N 3.16Å; R208-V211 PolarHBondContact O-N 3.5Å; E209-V211 VanDerWaalsContact C-N 3.32Å; E209-V211 PolarHBondContact O-N 2.88Å; V211-Q213 VanDerWaalsContact C-N 3.28Å; V211-Q213 PolarHBondContact O-N 3.36Å; V211-V214 PolarHBondContact O-N 3.04Å; V211-D215 PolarHBondContact O-N 2.96Å
212K98.9Very high98.8Very high82 Ų8237.6 Ų37.636%0.35718%0.175SC..Hα-helixtrans-62.9-36.9171.2-63.6179.4-159.6154.60111.9V44 R208 E209 M210 D215 R216V44-K212 HydrophobicContact CG1-CD 4.5Å; V44-K212 HydrophobicContact CG1-CG 3.44Å; V44-K212 VanDerWaalsContact CG1-CG 3.44Å; R208-K212 PolarHBondContact O-N 2.94Å; R208-K212 VanDerWaalsContact O-N 3.15Å; E209-K212 WeakPolarHBondContact O-CB 3.47Å; E209-K212 PolarHBondContact O-N 3.16Å; E209-K212 WeakPolarHBondContact OE2-CD 3.32Å; E209-K212 IonicContact OE2-NZ 3.49Å; E209-K212 PolarHBondContact OE2-NZ 3.25Å; M210-K212 VanDerWaalsContact C-N 3.33Å; M210-K212 PolarHBondContact O-N 2.9Å; K212-D215 PolarHBondContact O-N 3.38Å; K212-R216 WeakPolarHBondContact O-CG 3.41Å; K212-R216 PolarHBondContact O-N 3.31Å; K212-R216 PolarHBondContact O-NH1 3.45Å
213Q98.9Very high98.8Very high26 Ų2641.5 Ų41.512%0.12120%0.196CC..Hα-helixtrans-65.1-43.6174.5-171.1176.7-58.900111.3S162 E164 W167 E209 M210 V211 D215 R216 A217S162-Q213 PolarHBondContact O-NE2 2.94Å; E164-Q213 HydrophobicContact CB-CG 4.11Å; E164-Q213 HydrophobicContact CG-CG 3.86Å; W167-Q213 HydrophobicContact CE3-CG 4.17Å; W167-Q213 HydrophobicContact CH2-CG 4.14Å; W167-Q213 VanDerWaalsContact CH2-NE2 3.3Å; W167-Q213 HydrophobicContact CZ3-CB 4.29Å; W167-Q213 HydrophobicContact CZ3-CG 3.62Å; E209-Q213 PolarHBondContact O-N 3.06Å; E209-Q213 VanDerWaalsContact O-N 3.11Å; M210-Q213 WeakPolarHBondContact O-CA 3.06Å; M210-Q213 VanDerWaalsContact O-CB 3.3Å; M210-Q213 WeakPolarHBondContact O-CB 3.3Å; M210-Q213 PolarHBondContact O-N 3.22Å; M210-Q213 HydrophobicContact SD-CB 4.22Å; V211-Q213 VanDerWaalsContact C-N 3.28Å; V211-Q213 PolarHBondContact O-N 3.36Å; Q213-D215 VanDerWaalsContact C-N 3.33Å; Q213-D215 PolarHBondContact O-N 3.36Å; Q213-R216 PolarHBondContact O-N 3.26Å; Q213-A217 PolarHBondContact O-N 3.12Å
214V98.9Very high98.8Very high1 Ų137.6 Ų37.61%0.00618%0.175CC..Hα-helixtrans-58.3-45.5172.5171.90000110.7F33 F36 W167 M210 V211 R216 A217 V218F33-V214 HydrophobicContact CD1-CB 4.39Å; F33-V214 HydrophobicContact CD1-CG1 3.67Å; F33-V214 HydrophobicContact CD1-CG2 3.92Å; F33-V214 HydrophobicContact CD2-CG1 4.1Å; F33-V214 HydrophobicContact CE1-CB 4.44Å; F33-V214 HydrophobicContact CE1-CG1 3.75Å; F33-V214 HydrophobicContact CE1-CG2 4.29Å; F33-V214 HydrophobicContact CE2-CG1 4.15Å; F33-V214 HydrophobicContact CG-CG1 3.86Å; F33-V214 HydrophobicContact CZ-CG1 3.99Å; F36-V214 HydrophobicContact CD2-CG1 3.96Å; F36-V214 HydrophobicContact CE2-CB 4.15Å; F36-V214 HydrophobicContact CE2-CG1 3.62Å; W167-V214 HydrophobicContact CH2-CG2 4.08Å; W167-V214 HydrophobicContact CZ3-CG2 4.15Å; M210-V214 PolarHBondContact O-N 2.78Å; V211-V214 PolarHBondContact O-N 3.04Å; V214-R216 PolarHBondContact O-N 3.43Å; V214-A217 CarbonylContact O-C 3.57Å; V214-A217 WeakPolarHBondContact O-CA 3.5Å; V214-A217 WeakPolarHBondContact O-CB 3.38Å; V214-A217 PolarHBondContact O-N 2.96Å; V214-V218 HydrophobicContact CG1-CG2 4.44Å; V214-V218 WeakPolarHBondContact O-CG2 3.36Å; V214-V218 PolarHBondContact O-N 3.42Å
215D98.9Very high98.7Very high5 Ų537.3 Ų37.33%0.02717%0.174CC..Hα-helixtrans-60.7-41.9177.6-175.178.3000112.5T46 P47 N48 L49 V211 K212 Q213 A217 V218 G219T46-D215 VanDerWaalsContact CA-CG 3.47Å; T46-D215 VanDerWaalsContact CA-OD1 3.31Å; T46-D215 WeakPolarHBondContact CA-OD1 3.33Å; T46-D215 WeakPolarHBondContact CB-OD1 3.42Å; T46-D215 HydrophobicContact CG2-CB 4.15Å; P47-D215 VanDerWaalsContact CD-OD2 3.25Å; P47-D215 WeakPolarHBondContact CD-OD2 3.44Å; N48-D215 WeakPolarHBondContact CA-OD1 3.33Å; N48-D215 VanDerWaalsContact CB-O 3.28Å; N48-D215 WeakPolarHBondContact CB-O 3.49Å; N48-D215 WeakPolarHBondContact CB-OD1 3.3Å; N48-D215 WeakPolarHBondContact CB-OD2 3.5Å; N48-D215 PolarHBondContact N-OD1 3.44Å; N48-D215 PolarHBondContact N-OD2 3.36Å; N48-D215 VanDerWaalsContact N-OD2 3.16Å; N48-D215 PolarHBondContact ND2-O 2.93Å; N48-D215 VanDerWaalsContact ND2-O 3.15Å; N48-D215 PolarHBondContact ND2-OD2 3.14Å; L49-D215 PolarHBondContact N-OD1 3.38Å; V211-D215 PolarHBondContact O-N 2.96Å; K212-D215 PolarHBondContact O-N 3.38Å; Q213-D215 VanDerWaalsContact C-N 3.33Å; Q213-D215 PolarHBondContact O-N 3.36Å; D215-A217 VanDerWaalsContact C-N 3.3Å; D215-A217 PolarHBondContact O-N 3.03Å; D215-V218 WeakPolarHBondContact O-CB 3.33Å; D215-V218 PolarHBondContact O-N 3.21Å; D215-G219 PolarHBondContact O-N 3.24Å
216R98.9Very high98.6Very high90 Ų9039.2 Ų39.234%0.3418%0.175SC..Hα-helixtrans-60-40.8172.2-69.1-170.8-56.1-92.311.7111.9E164 K212 Q213 V214 G219 Y220E164-R216 IonicContact OE1-CZ 3.64Å; E164-R216 IonicContact OE1-NE 2.8Å; E164-R216 PolarHBondContact OE1-NE 2.81Å; E164-R216 IonicContact OE1-NH2 3.42Å; E164-R216 PolarHBondContact OE1-NH2 3.32Å; E164-R216 IonicContact OE2-CZ 3.76Å; E164-R216 IonicContact OE2-NE 3.61Å; E164-R216 IonicContact OE2-NH2 3.19Å; E164-R216 PolarHBondContact OE2-NH2 3.12Å; K212-R216 WeakPolarHBondContact O-CG 3.41Å; K212-R216 PolarHBondContact O-N 3.31Å; K212-R216 PolarHBondContact O-NH1 3.45Å; Q213-R216 PolarHBondContact O-N 3.26Å; V214-R216 PolarHBondContact O-N 3.43Å; R216-G219 PolarHBondContact O-N 2.9Å; R216-Y220 WeakPolarHBondContact O-CB 3.42Å; R216-Y220 PolarHBondContact O-N 3.09Å
217A98.8Very high98.5Very high0 Ų043.2 Ų43.20%019%0.191CC..Hα-helixtrans-63.5-41.1175.400000112F33 W167 Q213 V214 D215 G219 Y220 I221F33-A217 HydrophobicContact CE1-CB 4.46Å; F33-A217 HydrophobicContact CZ-CB 4.46Å; W167-A217 HydrophobicContact CE3-CB 3.81Å; W167-A217 HydrophobicContact CZ3-CB 4.24Å; Q213-A217 PolarHBondContact O-N 3.12Å; V214-A217 CarbonylContact O-C 3.57Å; V214-A217 WeakPolarHBondContact O-CA 3.5Å; V214-A217 WeakPolarHBondContact O-CB 3.38Å; V214-A217 PolarHBondContact O-N 2.96Å; D215-A217 VanDerWaalsContact C-N 3.3Å; D215-A217 PolarHBondContact O-N 3.03Å; A217-G219 VanDerWaalsContact C-N 3.33Å; A217-G219 PolarHBondContact O-N 3.35Å; A217-Y220 PolarHBondContact O-N 2.83Å; A217-I221 WeakPolarHBondContact O-CB 3.32Å; A217-I221 WeakPolarHBondContact O-CD1 3.32Å; A217-I221 WeakPolarHBondContact O-CG1 3.14Å; A217-I221 PolarHBondContact O-N 3.41Å
218V98.9Very high98.3Very high0 Ų045 Ų450%020%0.2CC..Hα-helixtrans-56.4-48.4172.8171.30000110.6F33 N48 L49 M52 V214 D215 Y220 I221 R222 M238F33-V218 HydrophobicContact CE2-CG2 4.19Å; F33-V218 HydrophobicContact CZ-CG2 4.35Å; N48-V218 HydrophobicContact CB-CB 4.27Å; N48-V218 HydrophobicContact CB-CG1 4.11Å; L49-V218 HydrophobicContact CD2-CG1 4.29Å; L49-V218 HydrophobicContact CD2-CG2 3.97Å; L49-V218 HydrophobicContact CG-CG1 4.45Å; L49-V218 HydrophobicContact CG-CG2 4.18Å; M52-V218 HydrophobicContact SD-CG1 4.15Å; V214-V218 HydrophobicContact CG1-CG2 4.44Å; V214-V218 WeakPolarHBondContact O-CG2 3.36Å; V214-V218 PolarHBondContact O-N 3.42Å; D215-V218 WeakPolarHBondContact O-CB 3.33Å; D215-V218 PolarHBondContact O-N 3.21Å; V218-Y220 PolarHBondContact O-N 2.87Å; V218-I221 PolarHBondContact O-N 3.16Å; V218-R222 VanDerWaalsContact O-CG 3.31Å; V218-R222 WeakPolarHBondContact O-CG 3.43Å; V218-R222 PolarHBondContact O-N 2.67Å; V218-R222 VanDerWaalsContact O-N 3.14Å; V218-M238 HydrophobicContact CB-SD 4.35Å; V218-M238 HydrophobicContact CG1-CE 4.14Å; V218-M238 HydrophobicContact CG1-SD 3.95Å; V218-M238 HydrophobicContact CG2-CE 4.46Å; V218-M238 HydrophobicContact CG2-SD 3.78Å
219G98.8Very high98.1Very high4 Ų443.2 Ų43.24%0.04121%0.211CC..Hα-helixtrans-59.4-46.3175.500000112.5N48 D215 R216 A217 R222 N223N48-G219 VanDerWaalsContact CG-CA 3.48Å; N48-G219 VanDerWaalsContact OD1-CA 3.29Å; N48-G219 WeakPolarHBondContact OD1-CA 3.46Å; D215-G219 PolarHBondContact O-N 3.24Å; R216-G219 PolarHBondContact O-N 2.9Å; A217-G219 VanDerWaalsContact C-N 3.33Å; A217-G219 PolarHBondContact O-N 3.35Å; G219-R222 PolarHBondContact O-N 3.5Å; G219-N223 WeakPolarHBondContact O-CB 3.48Å; G219-N223 PolarHBondContact O-N 3.01Å; G219-N223 PolarHBondContact O-ND2 3.28Å; G219-N223 VanDerWaalsContact O-ND2 3.13Å
220Y98.9Very high98Very high57 Ų5739 Ų3922%0.22419%0.191CC..Hα-helixtrans-61.7-46.4178.9-171.3-91.4000112.3Y168 T171 D172 R216 A217 V218 R222 N223 S224Y168-Y220 AromaticContact CD1-CD1 3.39Å; Y168-Y220 HydrophobicContact CD1-CD1 3.39Å; Y168-Y220 AromaticContact CD1-CD2 3.77Å; Y168-Y220 HydrophobicContact CD1-CD2 3.77Å; Y168-Y220 AromaticContact CD1-CE1 3.81Å; Y168-Y220 HydrophobicContact CD1-CE1 3.81Å; Y168-Y220 HydrophobicContact CD1-CE2 4.13Å; Y168-Y220 AromaticContact CD1-CG 3.37Å; Y168-Y220 HydrophobicContact CD1-CG 3.37Å; Y168-Y220 HydrophobicContact CD2-CE2 4.45Å; Y168-Y220 HydrophobicContact CE1-CD1 4.04Å; Y168-Y220 AromaticContact CE1-CD2 3.88Å; Y168-Y220 HydrophobicContact CE1-CD2 3.88Å; Y168-Y220 AromaticContact CE1-CG 3.55Å; Y168-Y220 HydrophobicContact CE1-CG 3.55Å; Y168-Y220 HydrophobicContact CG-CD1 4.06Å; Y168-Y220 HydrophobicContact CG-CD2 4.13Å; Y168-Y220 AromaticContact CG-CE1 3.99Å; Y168-Y220 HydrophobicContact CG-CE1 3.99Å; Y168-Y220 HydrophobicContact CG-CE2 4.05Å; Y168-Y220 HydrophobicContact CG-CG 4.13Å; Y168-Y220 AromaticContact CG-CZ 3.97Å; T171-Y220 HydrophobicContact CG2-CD1 3.79Å; T171-Y220 HydrophobicContact CG2-CE1 3.92Å; D172-Y220 PolarHBondContact OD1-OH 3.34Å; D172-Y220 PolarHBondContact OD2-OH 3.45Å; R216-Y220 WeakPolarHBondContact O-CB 3.42Å; R216-Y220 PolarHBondContact O-N 3.09Å; A217-Y220 PolarHBondContact O-N 2.83Å; V218-Y220 PolarHBondContact O-N 2.87Å; Y220-R222 PolarHBondContact O-N 3.26Å; Y220-N223 PolarHBondContact O-N 2.76Å; Y220-S224 WeakPolarHBondContact CE1-OG 3.25Å; Y220-S224 WeakPolarHBondContact O-CB 3.38Å; Y220-S224 PolarHBondContact O-N 3.24Å; Y220-S224 PolarHBondContact O-OG 3.43Å
221I98.8Very high97.6Very high0 Ų042.2 Ų42.20%021%0.212CC..Hα-helixtrans-57.5-48.1178.2-70.7161.3000111.2L29 I31 F33 T171 M175 F190 A217 V218 S224 A225 I236 M238L29-I221 HydrophobicContact CD2-CG2 4.41Å; I31-I221 HydrophobicContact CD1-CD1 4.08Å; I31-I221 HydrophobicContact CD1-CG2 3.81Å; F33-I221 HydrophobicContact CZ-CD1 4.23Å; T171-I221 HydrophobicContact CG2-CB 4.23Å; T171-I221 HydrophobicContact CG2-CG1 3.65Å; T171-I221 WeakPolarHBondContact OG1-CG1 3.45Å; M175-I221 HydrophobicContact CE-CG2 3.92Å; F190-I221 HydrophobicContact CE2-CD1 4.14Å; F190-I221 HydrophobicContact CZ-CD1 4.31Å; A217-I221 WeakPolarHBondContact O-CB 3.32Å; A217-I221 WeakPolarHBondContact O-CD1 3.32Å; A217-I221 WeakPolarHBondContact O-CG1 3.14Å; A217-I221 PolarHBondContact O-N 3.41Å; V218-I221 PolarHBondContact O-N 3.16Å; I221-S224 PolarHBondContact O-N 3.07Å; I221-A225 PolarHBondContact O-N 2.97Å; I221-I236 HydrophobicContact CG2-CD1 4.36Å; I221-M238 HydrophobicContact CB-CE 4.28Å; I221-M238 HydrophobicContact CD1-CE 4.44Å; I221-M238 HydrophobicContact CG2-CE 3.87Å
222R98.4Very high97.4Very high50 Ų5049.6 Ų49.619%0.18924%0.244CC..Hα-helixtrans-64.4-44.6179.6-67178.265.9-153.2-5.8111.6D55 V218 G219 Y220 S224 A225 E226D55-R222 IonicContact OD2-CZ 3.58Å; D55-R222 IonicContact OD2-NH1 3.66Å; D55-R222 IonicContact OD2-NH2 2.65Å; D55-R222 PolarHBondContact OD2-NH2 3.28Å; V218-R222 VanDerWaalsContact O-CG 3.31Å; V218-R222 WeakPolarHBondContact O-CG 3.43Å; V218-R222 PolarHBondContact O-N 2.67Å; V218-R222 VanDerWaalsContact O-N 3.14Å; G219-R222 PolarHBondContact O-N 3.5Å; Y220-R222 PolarHBondContact O-N 3.26Å; R222-S224 PolarHBondContact O-N 2.81Å; R222-A225 PolarHBondContact O-N 3.13Å; R222-E226 PolarHBondContact O-N 2.85Å; R222-E226 VanDerWaalsContact O-N 3.15Å
223N98.5Very high97.2Very high83 Ų8348.1 Ų48.144%0.44424%0.239SC..Hα-helixtrans-64.8-38.6176.7-70.1-25000112.2G219 Y220 E226 K227G219-N223 WeakPolarHBondContact O-CB 3.48Å; G219-N223 PolarHBondContact O-N 3.01Å; G219-N223 PolarHBondContact O-ND2 3.28Å; G219-N223 VanDerWaalsContact O-ND2 3.13Å; Y220-N223 PolarHBondContact O-N 2.76Å; N223-E226 PolarHBondContact O-N 3.31Å; N223-K227 WeakPolarHBondContact O-CG 3.47Å; N223-K227 PolarHBondContact O-N 2.82Å
224S98.3Very high97.2Very high2 Ų247.2 Ų47.21%0.01423%0.234CC..Hα-helixtrans-67.9-38.4177.2-75.70000111.4D172 Y220 I221 R222 E226 K227 H228D172-S224 PolarHBondContact OD1-OG 3.1Å; Y220-S224 WeakPolarHBondContact CE1-OG 3.25Å; Y220-S224 WeakPolarHBondContact O-CB 3.38Å; Y220-S224 PolarHBondContact O-N 3.24Å; Y220-S224 PolarHBondContact O-OG 3.43Å; I221-S224 PolarHBondContact O-N 3.07Å; R222-S224 PolarHBondContact O-N 2.81Å; S224-E226 VanDerWaalsContact C-N 3.33Å; S224-E226 PolarHBondContact O-N 3.43Å; S224-K227 PolarHBondContact O-N 3.4Å; S224-H228 WeakPolarHBondContact O-CB 3.25Å; S224-H228 PolarHBondContact O-N 2.92Å; S224-H228 PolarHBondContact O-ND1 3.03Å
225A97.4Very high97.2Very high6 Ų647.1 Ų47.15%0.0523%0.234CC..Hα-helixtrans-59.8-42.7172.400000112.1M175 I221 R222 H228 G229 L230 L234 I236M175-A225 HydrophobicContact CE-CB 4.15Å; M175-A225 HydrophobicContact SD-CB 3.98Å; I221-A225 PolarHBondContact O-N 2.97Å; R222-A225 PolarHBondContact O-N 3.13Å; A225-H228 PolarHBondContact O-N 2.88Å; A225-G229 PolarHBondContact O-N 3.37Å; A225-L230 WeakPolarHBondContact O-CB 3.37Å; A225-L230 PolarHBondContact O-N 3.19Å; A225-L234 HydrophobicContact CB-CD2 4.03Å; A225-I236 HydrophobicContact CB-CD1 4.2Å
226E96.2Very high97.2Very high129 Ų12947.3 Ų47.360%0.60324%0.235SC*.Hα-helixtrans-64.1-48.5175.9-175.5179.5-170.900112.2R222 N223 S224 H228 G229 T231R222-E226 PolarHBondContact O-N 2.85Å; R222-E226 VanDerWaalsContact O-N 3.15Å; N223-E226 PolarHBondContact O-N 3.31Å; S224-E226 VanDerWaalsContact C-N 3.33Å; S224-E226 PolarHBondContact O-N 3.43Å; E226-H228 PolarHBondContact O-N 3.42Å; E226-H228 VanDerWaalsContact O-N 3.17Å; E226-G229 PolarHBondContact O-N 2.71Å; E226-T231 WeakPolarHBondContact CA-OG1 3.31Å
227K96.7Very high97.2Very high165 Ų16543 Ų4372%0.71722%0.219SC*.Hα-helixtrans-58.3-29.5177.5-74.3174.9-176174.90113.1N223 S224 G229N223-K227 WeakPolarHBondContact O-CG 3.47Å; N223-K227 PolarHBondContact O-N 2.82Å; S224-K227 PolarHBondContact O-N 3.4Å; K227-G229 VanDerWaalsContact C-N 3.31Å
228H95.4Very high97.2Very high39 Ų3943 Ų4318%0.18122%0.219CC..THydrogen-bonded Turntrans-883.8176.9-71.778.4000113.4M175 R179 S224 A225 E226 L230M175-H228 HydrophobicContact CB-CB 4.39Å; R179-H228 PolarHBondContact NH1-CD2 2.76Å; R179-H228 PolarHBondContact NH1-NE2 2.85Å; S224-H228 WeakPolarHBondContact O-CB 3.25Å; S224-H228 PolarHBondContact O-N 2.92Å; S224-H228 PolarHBondContact O-ND1 3.03Å; A225-H228 PolarHBondContact O-N 2.88Å; E226-H228 PolarHBondContact O-N 3.42Å; E226-H228 VanDerWaalsContact O-N 3.17Å; H228-L230 VanDerWaalsContact C-N 3.29Å; H228-L230 HydrophobicContact CB-CD1 3.91Å; H228-L230 HydrophobicContact CB-CG 4Å; H228-L230 PolarHBondContact O-N 2.78Å
229G94.4Very high97.2Very high58 Ų5843 Ų4360%0.59822%0.219SC*.THydrogen-bonded Turntrans71.320.8178.400000113.9A225 E226 K227A225-G229 PolarHBondContact O-N 3.37Å; E226-G229 PolarHBondContact O-N 2.71Å; K227-G229 VanDerWaalsContact C-N 3.31Å
230L95.7Very high97.2Very high4 Ų442.8 Ų42.82%0.02122%0.217CC..  trans-88.3-10.7-171.8-64.8171.9000113.7M175 F178 A225 H228 K232 Q233 L234M175-L230 HydrophobicContact SD-CD1 3.85Å; F178-L230 HydrophobicContact CB-CD1 3.75Å; F178-L230 HydrophobicContact CB-CD2 4.06Å; F178-L230 HydrophobicContact CG-CD1 4.42Å; A225-L230 WeakPolarHBondContact O-CB 3.37Å; A225-L230 PolarHBondContact O-N 3.19Å; H228-L230 VanDerWaalsContact C-N 3.29Å; H228-L230 HydrophobicContact CB-CD1 3.91Å; H228-L230 HydrophobicContact CB-CG 4Å; H228-L230 PolarHBondContact O-N 2.78Å; L230-K232 PolarHBondContact O-N 2.88Å; L230-Q233 WeakPolarHBondContact O-CG 3.27Å; L230-Q233 PolarHBondContact O-N 2.74Å; L230-L234 HydrophobicContact CB-CB 3.91Å; L230-L234 HydrophobicContact CB-CD2 4.14Å; L230-L234 HydrophobicContact CD1-CD2 4.15Å; L230-L234 WeakPolarHBondContact O-CB 3.01Å; L230-L234 PolarHBondContact O-N 2.78Å
231T91.8Very high97.2Very high86 Ų8640.1 Ų40.153%0.52821%0.206SC..THydrogen-bonded Turntrans-54.1-31.8-170.8-44.70000114.8E226E226-T231 WeakPolarHBondContact CA-OG1 3.31Å
232K93.3Very high97.2Very high155 Ų15540.1 Ų40.167%0.67421%0.206SC*.THydrogen-bonded Turntrans-79.1-17.6-177.9-64.9-171.6179.7-177.90114.5L230 P367L230-K232 PolarHBondContact O-N 2.88Å; K232-P367 WeakPolarHBondContact O-CG 3.26Å
233Q95.1Very high97.2Very high51 Ų5137.7 Ų37.724%0.23820%0.197CC..THydrogen-bonded Turntrans-127-23.7-171.363.6-175.635.200113.7K27 L230 N235K27-Q233 HydrophobicContact CD-CG 4.3Å; K27-Q233 PolarHBondContact N-O 3.31Å; L230-Q233 WeakPolarHBondContact O-CG 3.27Å; L230-Q233 PolarHBondContact O-N 2.74Å; Q233-N235 PolarHBondContact O-ND2 2.67Å
234L98.3Very high97.2Very high6 Ų633.8 Ų33.83%0.03118%0.176CC..EExtended strand (participates in β ladder)trans-90.8123.4-175.3-173.966.6000111.8K27 L29 M175 F178 A225 L230 I236 P367K27-L234 HydrophobicContact CB-CD1 3.83Å; L29-L234 HydrophobicContact CB-CD1 3.96Å; L29-L234 HydrophobicContact CB-CD2 4.5Å; L29-L234 HydrophobicContact CB-CG 4.46Å; L29-L234 HydrophobicContact CD2-CD2 4.47Å; M175-L234 HydrophobicContact SD-CD2 4.3Å; F178-L234 HydrophobicContact CD1-CD1 4.23Å; F178-L234 HydrophobicContact CD2-CD1 4.26Å; F178-L234 HydrophobicContact CD2-CD2 4.48Å; F178-L234 HydrophobicContact CE1-CD1 3.86Å; F178-L234 HydrophobicContact CE2-CD1 3.89Å; F178-L234 HydrophobicContact CE2-CD2 4.49Å; F178-L234 HydrophobicContact CG-CD1 4.42Å; F178-L234 HydrophobicContact CZ-CD1 3.67Å; A225-L234 HydrophobicContact CB-CD2 4.03Å; L230-L234 HydrophobicContact CB-CB 3.91Å; L230-L234 HydrophobicContact CB-CD2 4.14Å; L230-L234 HydrophobicContact CD1-CD2 4.15Å; L230-L234 WeakPolarHBondContact O-CB 3.01Å; L230-L234 PolarHBondContact O-N 2.78Å; L234-I236 HydrophobicContact CD2-CD1 4.2Å; L234-I236 HydrophobicContact CD2-CG1 4.01Å; L234-I236 HydrophobicContact CG-CG1 4.01Å; L234-P367 WeakPolarHBondContact O-CD 3.4Å
235N98.9Very high97.2Very high0 Ų034 Ų340%018%0.178CC..EExtended strand (participates in β ladder)trans-103.2120172-61.1-78.5000108.5Q26 K27 V28 L29 Q233 P367 A368 F369 I390Q26-N235 PolarHBondContact OE1-ND2 2.96Å; K27-N235 WeakPolarHBondContact O-CB 3.43Å; K27-N235 PolarHBondContact O-N 2.66Å; K27-N235 PolarHBondContact O-ND2 3.24Å; V28-N235 CarbonylContact C-O 3.56Å; V28-N235 WeakPolarHBondContact CA-O 3.37Å; L29-N235 PolarHBondContact N-O 2.83Å; Q233-N235 PolarHBondContact O-ND2 2.67Å; N235-P367 VanDerWaalsContact OD1-CD 3.24Å; N235-P367 WeakPolarHBondContact OD1-CD 3.44Å; N235-P367 WeakPolarHBondContact OD1-CG 3.31Å; N235-A368 WeakPolarHBondContact OD1-CB 3.18Å; N235-A368 PolarHBondContact OD1-N 3.28Å; N235-F369 HydrophobicContact CB-CD2 4.4Å; N235-F369 HydrophobicContact CB-CE2 4.02Å; N235-I390 HydrophobicContact CB-CG2 4.16Å; N235-I390 WeakPolarHBondContact ND2-CG2 3.24Å
236I98.9Very high97.3Very high8 Ų835.9 Ų35.94%0.04119%0.188CC..EExtended strand (participates in β ladder)trans-105.5121.6-177.3-53.9175.9000108.2L29 I31 I221 A225 L234 M238 A364 V365L29-I236 HydrophobicContact CB-CG1 4.38Å; L29-I236 HydrophobicContact CD2-CG1 4.4Å; L29-I236 HydrophobicContact CD2-CG2 4.43Å; L29-I236 HydrophobicContact CG-CG2 4.43Å; L29-I236 WeakPolarHBondContact O-CA 3.5Å; I31-I236 HydrophobicContact CD1-CG2 3.66Å; I221-I236 HydrophobicContact CG2-CD1 4.36Å; A225-I236 HydrophobicContact CB-CD1 4.2Å; L234-I236 HydrophobicContact CD2-CD1 4.2Å; L234-I236 HydrophobicContact CD2-CG1 4.01Å; L234-I236 HydrophobicContact CG-CG1 4.01Å; I236-M238 HydrophobicContact CG2-CE 3.74Å; I236-M238 HydrophobicContact CG2-CG 4.04Å; I236-A364 CarbonylContact O-C 3.35Å; I236-A364 VanDerWaalsContact O-CA 3.29Å; I236-A364 WeakPolarHBondContact O-CA 3.34Å; I236-V365 HydrophobicContact CB-CG1 4.12Å; I236-V365 PolarHBondContact N-O 3.43Å; I236-V365 PolarHBondContact O-N 3.41Å
237I98.9Very high97.4Very high0 Ų030.3 Ų30.30%016%0.163CC..EExtended strand (participates in β ladder)trans-110.2122.8172.6-63.9166.3000106.9V28 L29 L30 I31 F362 A364 F369 I383 L386 M387V28-I237 HydrophobicContact CG1-CD1 4.36Å; L29-I237 PolarHBondContact O-N 3.15Å; L30-I237 CarbonylContact C-O 3.44Å; L30-I237 HydrophobicContact CD1-CB 4.29Å; L30-I237 HydrophobicContact CD1-CG2 3.94Å; I31-I237 PolarHBondContact N-O 3.19Å; I237-F362 HydrophobicContact CG2-CD2 4.28Å; I237-F362 HydrophobicContact CG2-CE2 3.53Å; I237-F362 HydrophobicContact CG2-CZ 4.09Å; I237-A364 HydrophobicContact CG1-CB 4.15Å; I237-F369 HydrophobicContact CD1-CZ 4.1Å; I237-F369 HydrophobicContact CG1-CE2 4.1Å; I237-F369 HydrophobicContact CG1-CZ 3.91Å; I237-I383 HydrophobicContact CG2-CG2 4.49Å; I237-L386 HydrophobicContact CD1-CD2 4.4Å; I237-M387 HydrophobicContact CD1-CG 3.71Å; I237-M387 HydrophobicContact CD1-SD 4.46Å
238M98.9Very high97.4Very high0 Ų027.4 Ų27.40%015%0.15CC..EExtended strand (participates in β ladder)trans-116.3126.7175.1-60.7-178.7-178.500108.8I31 F33 M52 V218 I221 I236 F361 R363I31-M238 HydrophobicContact CB-CG 4.12Å; I31-M238 HydrophobicContact CD1-CE 3.78Å; I31-M238 HydrophobicContact CD1-CG 3.99Å; I31-M238 WeakPolarHBondContact O-CA 3.48Å; F33-M238 HydrophobicContact CE2-SD 4.42Å; M52-M238 HydrophobicContact CE-CB 4.15Å; M52-M238 HydrophobicContact CE-CE 4.26Å; M52-M238 HydrophobicContact CE-CG 3.77Å; M52-M238 HydrophobicContact CE-SD 3.73Å; M52-M238 HydrophobicContact SD-CE 4.21Å; M52-M238 HydrophobicContact SD-CG 4.33Å; M52-M238 HydrophobicContact SD-SD 3.52Å; V218-M238 HydrophobicContact CB-SD 4.35Å; V218-M238 HydrophobicContact CG1-CE 4.14Å; V218-M238 HydrophobicContact CG1-SD 3.95Å; V218-M238 HydrophobicContact CG2-CE 4.46Å; V218-M238 HydrophobicContact CG2-SD 3.78Å; I221-M238 HydrophobicContact CB-CE 4.28Å; I221-M238 HydrophobicContact CD1-CE 4.44Å; I221-M238 HydrophobicContact CG2-CE 3.87Å; I236-M238 HydrophobicContact CG2-CE 3.74Å; I236-M238 HydrophobicContact CG2-CG 4.04Å; M238-F361 HydrophobicContact CB-CE2 4.07Å; M238-F361 HydrophobicContact CB-CZ 4.14Å; M238-R363 HydrophobicContact CB-CB 4.49Å; M238-R363 PolarHBondContact N-O 2.82Å; M238-R363 PolarHBondContact O-N 3.07Å; M238-R363 VanDerWaalsContact O-O 3.08Å
239T98.9Very high97.3Very high0 Ų029.9 Ų29.90%016%0.158CC..EExtended strand (participates in β ladder)trans-146-177.4179.1-169.30000109.1L30 I31 S32 F33 L77 F361L30-T239 HydrophobicContact CD1-CG2 4.2Å; I31-T239 PolarHBondContact O-N 3.43Å; S32-T239 VanDerWaalsContact CA-O 3.3Å; S32-T239 WeakPolarHBondContact CA-O 3.49Å; F33-T239 PolarHBondContact N-O 2.86Å; L77-T239 HydrophobicContact CD1-CG2 3.93Å; L77-T239 HydrophobicContact CD2-CG2 4.21Å; T239-F361 WeakPolarHBondContact CA-O 3.34Å; T239-F361 WeakPolarHBondContact O-CE1 3.2Å; T239-F361 PolarHBondContact OG1-O 3.2Å
240A98.9Very high97.1Very high0 Ų029.2 Ų29.20%015%0.151CC..  trans-126.5174.2158.800000109.9F33 F36 P360 F361F33-A240 WeakPolarHBondContact O-CB 3.18Å; F36-A240 HydrophobicContact CB-CB 3.77Å; A240-P360 HydrophobicContact CB-CB 3.57Å; A240-P360 WeakPolarHBondContact O-CG 3.36Å; A240-F361 HydrophobicContact CB-CD1 4.06Å; A240-F361 HydrophobicContact CB-CE1 4.02Å
241D98.7Very high96.8Very high0 Ų035.3 Ų35.30%019%0.191CC..SBendtrans-85.5-4117555.7-19.4000112.7D34 G35 P64 T70 T73 H74D34-D241 WeakPolarHBondContact CA-OD1 3.48Å; G35-D241 PolarHBondContact N-OD1 3.39Å; P64-D241 WeakPolarHBondContact CB-O 3.35Å; T70-D241 WeakPolarHBondContact CA-OD2 3.13Å; T73-D241 HydrophobicContact CG2-CB 3.84Å; T73-D241 WeakPolarHBondContact CG2-O 3.45Å; H74-D241 VanDerWaalsContact CE1-CB 3.44Å; H74-D241 WeakPolarHBondContact CE1-CB 3.38Å; H74-D241 IonicContact CE1-OD1 3.1Å; H74-D241 IonicContact CE1-OD2 3.28Å; H74-D241 PolarHBondContact CE1-OD2 3.43Å; H74-D241 IonicContact ND1-OD2 3.61Å; H74-D241 PolarHBondContact ND1-OD2 3.26Å; H74-D241 VanDerWaalsContact ND1-OD2 3.13Å
242H98.8Very high96.8Very high0 Ų038.8 Ų38.80%021%0.206CC..  trans-150.4175.4175.548.670.9000111.7D34 G35 F36 T68 T70 D194 H349D34-H242 IonicContact OD1-CE1 3.68Å; D34-H242 PolarHBondContact OD1-CE1 3.44Å; D34-H242 VanDerWaalsContact OD1-CE1 3.28Å; D34-H242 IonicContact OD1-NE2 3.25Å; G35-H242 CarbonylContact C-O 3.56Å; G35-H242 VanDerWaalsContact C-O 3.32Å; G35-H242 VanDerWaalsContact CA-O 3.31Å; G35-H242 WeakPolarHBondContact CA-O 3.49Å; F36-H242 PolarHBondContact N-O 3.37Å; T68-H242 PolarHBondContact O-CD2 3.37Å; T70-H242 PolarHBondContact OG1-NE2 2.89Å; D194-H242 IonicContact OD1-CE1 2.8Å; H242-H349 AromaticContact CD2-CE1 3.97Å; H242-H349 AromaticContact CD2-ND1 3.63Å; H242-H349 AromaticContact CE1-CD2 3.28Å; H242-H349 PolarHBondContact CE1-CD2 2.82Å; H242-H349 AromaticContact CE1-CE1 3.45Å; H242-H349 PolarHBondContact CE1-CE1 2.98Å; H242-H349 VanDerWaalsContact CE1-CE1 3.45Å; H242-H349 AromaticContact CE1-CG 3.3Å; H242-H349 AromaticContact CE1-ND1 3.41Å; H242-H349 PolarHBondContact CE1-ND1 2.81Å; H242-H349 AromaticContact CE1-NE2 3.43Å; H242-H349 PolarHBondContact CE1-NE2 3.31Å; H242-H349 AromaticContact CG-CG 3.97Å; H242-H349 AromaticContact CG-ND1 3.9Å; H242-H349 AromaticContact ND1-CD2 3.79Å; H242-H349 AromaticContact ND1-CG 3.44Å; H242-H349 AromaticContact ND1-ND1 3.75Å; H242-H349 AromaticContact NE2-CD2 3.85Å; H242-H349 AromaticContact NE2-CE1 3.18Å; H242-H349 PolarHBondContact NE2-CE1 3.11Å; H242-H349 AromaticContact NE2-CG 3.68Å; H242-H349 AromaticContact NE2-ND1 3.25Å; H242-H349 PolarHBondContact NE2-ND1 3.5Å; H242-H349 AromaticContact NE2-NE2 3.59Å
243G98.7Very high96.8Very high0 Ų033.1 Ų33.10%018%0.184CC..  trans-91.1-149.2164.100000112.2D357 M358G243-D357 CarbonylContact C-O 3.47Å; G243-D357 WeakPolarHBondContact CA-O 3.34Å; G243-M358 PolarHBondContact N-O 2.74Å
244M98.9Very high96.8Very high0 Ų036.9 Ų36.90%020%0.202CC..  trans-161.3140.5-174.4-175.670.66500109.8R37 Y40 D194 P202 E348 D357R37-M244 WeakPolarHBondContact CD-O 3.25Å; R37-M244 PolarHBondContact NH1-O 2.95Å; Y40-M244 WeakPolarHBondContact OH-CB 3.38Å; D194-M244 WeakPolarHBondContact OD1-CE 3.45Å; P202-M244 HydrophobicContact CB-CB 4.13Å; P202-M244 HydrophobicContact CB-CG 3.84Å; P202-M244 HydrophobicContact CG-CG 4.19Å; M244-E348 WeakPolarHBondContact SD-CA 3.42Å; M244-E348 PolarHBondContact SD-N 3.27Å; M244-D357 PolarHBondContact N-O 3.09Å
245T98.6Very high96.6Very high8 Ų840.1 Ų40.15%0.04922%0.217CC..EExtended strand (participates in β ladder)trans-125.5157.9174.1-164.40000111.4P332 G347 E348 F351 D357 M358T245-P332 HydrophobicContact CG2-CB 4.48Å; T245-G347 CarbonylContact O-C 3.6Å; T245-G347 WeakPolarHBondContact O-CA 3.41Å; T245-E348 PolarHBondContact N-O 3.07Å; T245-E348 PolarHBondContact O-N 3.14Å; T245-F351 HydrophobicContact CG2-CD2 3.62Å; T245-F351 HydrophobicContact CG2-CE2 3.17Å; T245-F351 HydrophobicContact CG2-CG 4.48Å; T245-F351 HydrophobicContact CG2-CZ 3.69Å; T245-D357 VanDerWaalsContact CB-OD2 3.25Å; T245-D357 WeakPolarHBondContact CB-OD2 3.44Å; T245-D357 PolarHBondContact OG1-OD2 3.43Å; T245-M358 HydrophobicContact CG2-CE 4.11Å
246T98.7Very high96.6Very high45 Ų4540.2 Ų40.228%0.27622%0.218SC..EExtended strand (participates in β ladder)trans-78.3133.5-179.7-67.10000110.1P202 D203 G333 K346P202-T246 WeakPolarHBondContact CD-OG1 3.11Å; P202-T246 VanDerWaalsContact CG-OG1 3.25Å; P202-T246 WeakPolarHBondContact CG-OG1 3.19Å; D203-T246 PolarHBondContact OD2-OG1 3.02Å; T246-G333 WeakPolarHBondContact O-CA 3.2Å; T246-K346 WeakPolarHBondContact CA-O 3.45Å
247I98.4Very high96.5Very high12 Ų1240.1 Ų40.16%0.06222%0.217CC..PPolyproline II helixtrans-85.6126.5173.7-63.3-51.7000111.2R249 V335 K346 E348 F351I247-R249 HydrophobicContact CG2-CG 4.45Å; I247-V335 HydrophobicContact CD1-CG1 3.6Å; I247-V335 HydrophobicContact CG1-CG1 3.96Å; I247-V335 HydrophobicContact CG2-CG1 4.23Å; I247-K346 PolarHBondContact N-O 3.41Å; I247-E348 HydrophobicContact CD1-CB 3.65Å; I247-E348 HydrophobicContact CG1-CB 3.75Å; I247-E348 HydrophobicContact CG1-CG 4.38Å; I247-F351 HydrophobicContact CD1-CE2 4.46Å; I247-F351 HydrophobicContact CD1-CZ 3.83Å
248F97Very high96.5Very high103 Ų10340.1 Ų40.145%0.45222%0.217SC..PPolyproline II helixtrans-74.6133.6177.4-54.1-39000110.7V253 P332 G333 F334F248-V253 HydrophobicContact CB-CG1 4.2Å; F248-V253 HydrophobicContact CB-CG2 3.95Å; F248-P332 WeakPolarHBondContact CE2-O 3.41Å; F248-G333 PolarHBondContact N-O 3.4Å; F248-F334 HydrophobicContact CD2-CD2 4.29Å; F248-F334 AromaticContact CD2-CE2 3.84Å; F248-F334 HydrophobicContact CD2-CE2 3.84Å; F248-F334 HydrophobicContact CD2-CZ 4.26Å; F248-F334 HydrophobicContact CE2-CE2 4.25Å
249R92.9Very high96.5Very high91 Ų9142.5 Ų42.534%0.34323%0.234SC..  trans-143149.4175.9-62.7-66177.7155.65.6109.6I247 E255 Q343I247-R249 HydrophobicContact CG2-CG 4.45Å; R249-E255 IonicContact CZ-OE1 3.52Å; R249-E255 IonicContact NH1-OE1 2.72Å; R249-E255 PolarHBondContact NH1-OE1 2.89Å; R249-Q343 PolarHBondContact NH2-O 3.12Å
250G90.6Very high96.4Very high44 Ų4449.4 Ų49.445%0.45426%0.264SS..SBendtrans144.5174.7175.200000112.4D252 V253G250-D252 PolarHBondContact O-N 2.82Å; G250-V253 PolarHBondContact O-N 2.71Å
251P89.1Confident96.4Very high133 Ų13350.3 Ų50.386%0.86427%0.268SS*.THydrogen-bonded Turntrans-63.6-23.1-179.927.4-35.1000113.3
252D91.9Very high96.3Very high159 Ų15955.8 Ų55.885%0.8530%0.304SS*.THydrogen-bonded Turntrans-93.2-0.1-178.4-54.6-46.7000113.2G250G250-D252 PolarHBondContact O-N 2.82Å
253V93.9Very high96.2Very high35 Ų3558.8 Ų58.821%0.21234%0.335CS..  trans-97.7115.3178.8-1780000109F248 G250 E255 F334F248-V253 HydrophobicContact CB-CG1 4.2Å; F248-V253 HydrophobicContact CB-CG2 3.95Å; G250-V253 PolarHBondContact O-N 2.71Å; V253-E255 PolarHBondContact O-N 2.84Å; V253-E255 VanDerWaalsContact O-N 3.15Å; V253-F334 HydrophobicContact CG1-CD1 4.42Å; V253-F334 HydrophobicContact CG1-CE1 3.8Å; V253-F334 HydrophobicContact CG1-CZ 4.47Å
254E94.8Very high96.1Very high130 Ų13059.7 Ų59.761%0.60734%0.339SS*.  trans-72.7103.8169.7-168.8175.5-178.500109.2H300E254-H300 PolarHBondContact O-NE2 2.95Å; E254-H300 IonicContact OE1-CD2 3.66Å; E254-H300 IonicContact OE2-NE2 3.79Å
255E95.1Very high96.1Very high74 Ų7461.9 Ų61.935%0.34635%0.354SS..  trans-73.5136.6178.7-67.4-170.3144.800111.6R249 V253 V257 P341R249-E255 IonicContact CZ-OE1 3.52Å; R249-E255 IonicContact NH1-OE1 2.72Å; R249-E255 PolarHBondContact NH1-OE1 2.89Å; V253-E255 PolarHBondContact O-N 2.84Å; V253-E255 VanDerWaalsContact O-N 3.15Å; E255-V257 HydrophobicContact CB-CG2 4.27Å; E255-V257 PolarHBondContact O-N 3.06Å; E255-P341 WeakPolarHBondContact OE2-CB 3.36Å; E255-P341 WeakPolarHBondContact OE2-CG 3.32Å
256I97.8Very high96.1Very high3 Ų362.5 Ų62.52%0.01536%0.356CS..  trans-80.5104.1176.9-55.6170.6000108.7L258 H300 N302 L303 T330 F334 L336 N337I256-L258 HydrophobicContact CG2-CD2 4.5Å; I256-H300 VanDerWaalsContact CG1-CE1 3.46Å; I256-H300 WeakPolarHBondContact CG1-CE1 3.29Å; I256-H300 WeakPolarHBondContact CG1-ND1 3.46Å; I256-N302 HydrophobicContact CD1-CB 4.3Å; I256-N302 WeakPolarHBondContact CD1-O 3.46Å; I256-L303 HydrophobicContact CD1-CB 4.21Å; I256-L303 HydrophobicContact CG2-CB 4.38Å; I256-L303 HydrophobicContact CG2-CD1 4.28Å; I256-L303 HydrophobicContact CG2-CD2 4.1Å; I256-L303 HydrophobicContact CG2-CG 4.49Å; I256-T330 HydrophobicContact CD1-CG2 3.43Å; I256-T330 VanDerWaalsContact CD1-CG2 3.43Å; I256-F334 HydrophobicContact CD1-CB 3.94Å; I256-F334 HydrophobicContact CD1-CD1 4.3Å; I256-F334 HydrophobicContact CD1-CG 4.35Å; I256-F334 HydrophobicContact CG1-CD1 4.48Å; I256-L336 HydrophobicContact CG2-CD1 3.78Å; I256-N337 WeakPolarHBondContact O-CB 3.28Å; I256-N337 PolarHBondContact O-N 3.26Å; I256-N337 PolarHBondContact O-ND2 2.7Å; I256-N337 VanDerWaalsContact O-ND2 3.15Å
257V97.9Very high96.1Very high5 Ų563.8 Ų63.83%0.0337%0.367CS..BIsolated β-bridgetrans-124.3106.3177.7-171.90000109.4E255 S259 K260 N337 Y339 P341E255-V257 HydrophobicContact CB-CG2 4.27Å; E255-V257 PolarHBondContact O-N 3.06Å; V257-S259 VanDerWaalsContact C-N 3.29Å; V257-S259 WeakPolarHBondContact CG1-OG 3.31Å; V257-S259 PolarHBondContact O-N 2.98Å; V257-K260 HydrophobicContact CB-CB 4.48Å; V257-K260 HydrophobicContact CB-CD 4.04Å; V257-K260 HydrophobicContact CB-CG 4.16Å; V257-K260 HydrophobicContact CG1-CD 4.28Å; V257-K260 HydrophobicContact CG1-CG 4.1Å; V257-K260 HydrophobicContact CG2-CD 4.47Å; V257-K260 WeakPolarHBondContact O-CB 3.45Å; V257-K260 PolarHBondContact O-N 3.27Å; V257-N337 WeakPolarHBondContact CA-O 3.3Å; V257-N337 HydrophobicContact CG2-CB 4.26Å; V257-Y339 WeakPolarHBondContact CG1-O 3.19Å; V257-P341 HydrophobicContact CG2-CG 4Å
258L98.3Very high96.1Very high0 Ų064.3 Ų64.30%037%0.37CS..G310 helixtrans-59.3-37.9-171.7-63.7-168.9000112.8I256 K260 I261 F264 F266 L274 L296 L303 L328 L336 N337 G338I256-L258 HydrophobicContact CG2-CD2 4.5Å; L258-K260 PolarHBondContact O-N 3.47Å; L258-K260 VanDerWaalsContact O-N 3.07Å; L258-I261 HydrophobicContact CD2-CD1 3.64Å; L258-I261 WeakPolarHBondContact O-CB 3.32Å; L258-I261 PolarHBondContact O-N 3.43Å; L258-F264 HydrophobicContact CB-CD1 4.13Å; L258-F264 HydrophobicContact CB-CE1 3.75Å; L258-F264 HydrophobicContact CB-CZ 4.33Å; L258-F264 HydrophobicContact CD1-CZ 4.43Å; L258-F264 WeakPolarHBondContact O-CD1 3.48Å; L258-F266 HydrophobicContact CB-CZ 4.01Å; L258-L274 HydrophobicContact CD1-CD1 3.73Å; L258-L274 HydrophobicContact CD1-CD2 3.76Å; L258-L274 HydrophobicContact CD1-CG 4.42Å; L258-L296 HydrophobicContact CD2-CD2 3.97Å; L258-L303 HydrophobicContact CD2-CD2 4.06Å; L258-L328 HydrophobicContact CD1-CD2 4.13Å; L258-L328 HydrophobicContact CD2-CD2 4.25Å; L258-L336 HydrophobicContact CD1-CD1 4.33Å; L258-L336 HydrophobicContact CD2-CD1 3.84Å; L258-L336 HydrophobicContact CG-CD1 4.06Å; L258-N337 PolarHBondContact N-O 3.47Å; L258-G338 PolarHBondContact N-O 2.6Å
259S98Very high96.1Very high50 Ų5060 Ų6035%0.3535%0.353SS..G310 helixtrans-58.8-21.2177.2660000114.7V257 G338 Y339V257-S259 VanDerWaalsContact C-N 3.29Å; V257-S259 WeakPolarHBondContact CG1-OG 3.31Å; V257-S259 PolarHBondContact O-N 2.98Å; S259-G338 PolarHBondContact N-O 3.18Å; S259-Y339 PolarHBondContact OG-O 3.14Å
260K97.6Very high96.4Very high145 Ų14558.2 Ų58.263%0.6335%0.354SS*.G310 helixtrans-92.8-9.3-179.5-62.4-176.8-176.7171.10112.9V257 L258 P262V257-K260 HydrophobicContact CB-CB 4.48Å; V257-K260 HydrophobicContact CB-CD 4.04Å; V257-K260 HydrophobicContact CB-CG 4.16Å; V257-K260 HydrophobicContact CG1-CD 4.28Å; V257-K260 HydrophobicContact CG1-CG 4.1Å; V257-K260 HydrophobicContact CG2-CD 4.47Å; V257-K260 WeakPolarHBondContact O-CB 3.45Å; V257-K260 PolarHBondContact O-N 3.27Å; L258-K260 PolarHBondContact O-N 3.47Å; L258-K260 VanDerWaalsContact O-N 3.07Å; K260-P262 WeakPolarHBondContact O-CD 3.38Å
261I98Very high96.8Very high19 Ų1956.5 Ų56.510%0.09733%0.334CS..SBendtrans-73.5121.9-178.9-67.2174.4000109.7L258 G263 F264 A295 L296 A299 L303L258-I261 HydrophobicContact CD2-CD1 3.64Å; L258-I261 WeakPolarHBondContact O-CB 3.32Å; L258-I261 PolarHBondContact O-N 3.43Å; I261-G263 PolarHBondContact O-N 3.17Å; I261-F264 HydrophobicContact CB-CB 4.2Å; I261-F264 HydrophobicContact CG2-CB 4.21Å; I261-F264 PolarHBondContact O-N 3.27Å; I261-A295 VanDerWaalsContact CG2-O 3.32Å; I261-A295 WeakPolarHBondContact CG2-O 3.18Å; I261-L296 HydrophobicContact CB-CD2 4.3Å; I261-L296 HydrophobicContact CD1-CD2 3.66Å; I261-L296 HydrophobicContact CG2-CD2 4.07Å; I261-A299 HydrophobicContact CD1-CB 3.92Å; I261-A299 HydrophobicContact CG1-CB 4.23Å; I261-A299 HydrophobicContact CG2-CB 3.52Å; I261-L303 HydrophobicContact CD1-CD2 4.07Å
262P97.2Very high97.2Very high116 Ų11652 Ų5275%0.75330%0.302SS*.THydrogen-bonded Turntrans-57.2134.3178-25.735.4000112.5K260 F264K260-P262 WeakPolarHBondContact O-CD 3.38Å; P262-F264 PolarHBondContact O-N 3.46Å
263G96.3Very high97.5Very high63 Ų6344.6 Ų44.665%0.64926%0.262SS*.THydrogen-bonded Turntrans82.3-11.6179.300000114.9I261I261-G263 PolarHBondContact O-N 3.17Å
264F98.3Very high97.7Very high18 Ų1843.4 Ų43.48%0.07925%0.254CS..  trans-86139.6171.2176.6-100.4000111.1L258 I261 P262 F266 V269 L282 I292 A295 L296L258-F264 HydrophobicContact CB-CD1 4.13Å; L258-F264 HydrophobicContact CB-CE1 3.75Å; L258-F264 HydrophobicContact CB-CZ 4.33Å; L258-F264 HydrophobicContact CD1-CZ 4.43Å; L258-F264 WeakPolarHBondContact O-CD1 3.48Å; I261-F264 HydrophobicContact CB-CB 4.2Å; I261-F264 HydrophobicContact CG2-CB 4.21Å; I261-F264 PolarHBondContact O-N 3.27Å; P262-F264 PolarHBondContact O-N 3.46Å; F264-F266 AromaticContact CE1-CD1 3.78Å; F264-F266 HydrophobicContact CE1-CD1 3.78Å; F264-F266 AromaticContact CE1-CD2 3.92Å; F264-F266 HydrophobicContact CE1-CD2 3.92Å; F264-F266 AromaticContact CE1-CE1 3.58Å; F264-F266 HydrophobicContact CE1-CE1 3.58Å; F264-F266 AromaticContact CE1-CE2 3.77Å; F264-F266 HydrophobicContact CE1-CE2 3.77Å; F264-F266 AromaticContact CE1-CG 3.94Å; F264-F266 HydrophobicContact CE1-CG 3.94Å; F264-F266 AromaticContact CE1-CZ 3.6Å; F264-F266 HydrophobicContact CE1-CZ 3.6Å; F264-F266 AromaticContact CZ-CD1 3.69Å; F264-F266 HydrophobicContact CZ-CD1 3.69Å; F264-F266 AromaticContact CZ-CE1 3.55Å; F264-F266 HydrophobicContact CZ-CE1 3.55Å; F264-F266 HydrophobicContact CZ-CG 4.24Å; F264-F266 HydrophobicContact CZ-CZ 4.05Å; F264-V269 HydrophobicContact CE2-CG2 4.11Å; F264-V269 HydrophobicContact CZ-CG2 4.09Å; F264-L282 HydrophobicContact CE2-CD1 4.12Å; F264-L282 HydrophobicContact CZ-CD1 4.43Å; F264-I292 HydrophobicContact CD2-CG2 4.05Å; F264-I292 HydrophobicContact CE2-CG2 3.88Å; F264-A295 HydrophobicContact CB-CB 4.2Å; F264-L296 HydrophobicContact CB-CD2 3.83Å; F264-L296 HydrophobicContact CD1-CD2 4.45Å; F264-L296 HydrophobicContact CD2-CD1 3.8Å; F264-L296 HydrophobicContact CD2-CD2 3.61Å; F264-L296 HydrophobicContact CD2-CG 3.75Å; F264-L296 HydrophobicContact CE2-CD1 3.85Å; F264-L296 HydrophobicContact CE2-CD2 4.29Å; F264-L296 HydrophobicContact CE2-CG 4.32Å; F264-L296 HydrophobicContact CG-CD2 3.7Å; F264-L296 HydrophobicContact CG-CG 4.32Å
265S98.1Very high97.8Very high46 Ų4639.7 Ų39.732%0.32224%0.239SC..  trans-141.8128173.5-172.40000111S267 D268S265-S267 PolarHBondContact O-N 3.47Å; S265-S267 VanDerWaalsContact O-N 3.12Å; S265-S267 WeakPolarHBondContact OG-CB 3.48Å; S265-S267 PolarHBondContact OG-N 2.92Å; S265-S267 PolarHBondContact OG-OG 2.85Å; S265-D268 WeakPolarHBondContact O-CB 3.48Å; S265-D268 PolarHBondContact O-N 3.04Å
266F98.3Very high97.9Very high21 Ų2139.6 Ų39.69%0.09224%0.235CC..G310 helixtrans-61.8-18170.3-73.8-63.9000113.4L258 F264 D268 V269 L274 G338 Y339L258-F266 HydrophobicContact CB-CZ 4.01Å; F264-F266 AromaticContact CE1-CD1 3.78Å; F264-F266 HydrophobicContact CE1-CD1 3.78Å; F264-F266 AromaticContact CE1-CD2 3.92Å; F264-F266 HydrophobicContact CE1-CD2 3.92Å; F264-F266 AromaticContact CE1-CE1 3.58Å; F264-F266 HydrophobicContact CE1-CE1 3.58Å; F264-F266 AromaticContact CE1-CE2 3.77Å; F264-F266 HydrophobicContact CE1-CE2 3.77Å; F264-F266 AromaticContact CE1-CG 3.94Å; F264-F266 HydrophobicContact CE1-CG 3.94Å; F264-F266 AromaticContact CE1-CZ 3.6Å; F264-F266 HydrophobicContact CE1-CZ 3.6Å; F264-F266 AromaticContact CZ-CD1 3.69Å; F264-F266 HydrophobicContact CZ-CD1 3.69Å; F264-F266 AromaticContact CZ-CE1 3.55Å; F264-F266 HydrophobicContact CZ-CE1 3.55Å; F264-F266 HydrophobicContact CZ-CG 4.24Å; F264-F266 HydrophobicContact CZ-CZ 4.05Å; F266-D268 PolarHBondContact O-N 3.16Å; F266-V269 HydrophobicContact CD1-CG2 4.35Å; F266-V269 PolarHBondContact O-N 3.22Å; F266-V269 VanDerWaalsContact O-N 3.13Å; F266-L274 HydrophobicContact CE1-CD1 3.66Å; F266-L274 HydrophobicContact CZ-CD1 3.96Å; F266-G338 WeakPolarHBondContact CE2-O 3.22Å; F266-Y339 HydrophobicContact CB-CE1 4.28Å; F266-Y339 HydrophobicContact CB-CE2 4.49Å; F266-Y339 WeakPolarHBondContact CB-OH 3.12Å; F266-Y339 HydrophobicContact CD1-CE2 4.35Å; F266-Y339 AromaticContact CD2-CD1 3.81Å; F266-Y339 HydrophobicContact CD2-CD1 3.81Å; F266-Y339 HydrophobicContact CD2-CD2 4.14Å; F266-Y339 AromaticContact CD2-CE1 3.34Å; F266-Y339 HydrophobicContact CD2-CE1 3.34Å; F266-Y339 AromaticContact CD2-CE2 3.7Å; F266-Y339 HydrophobicContact CD2-CE2 3.7Å; F266-Y339 HydrophobicContact CD2-CG 4.2Å; F266-Y339 AromaticContact CD2-CZ 3.28Å; F266-Y339 AromaticContact CE2-CD1 3.93Å; F266-Y339 HydrophobicContact CE2-CD1 3.93Å; F266-Y339 AromaticContact CE2-CD2 3.9Å; F266-Y339 HydrophobicContact CE2-CD2 3.9Å; F266-Y339 AromaticContact CE2-CE1 3.93Å; F266-Y339 HydrophobicContact CE2-CE1 3.93Å; F266-Y339 AromaticContact CE2-CE2 3.89Å; F266-Y339 HydrophobicContact CE2-CE2 3.89Å; F266-Y339 AromaticContact CE2-CG 3.93Å; F266-Y339 HydrophobicContact CE2-CG 3.93Å; F266-Y339 AromaticContact CE2-CZ 3.91Å; F266-Y339 HydrophobicContact CG-CE1 4.04Å; F266-Y339 AromaticContact CG-CE2 3.93Å; F266-Y339 HydrophobicContact CG-CE2 3.93Å; F266-Y339 AromaticContact CG-CZ 3.54Å; F266-Y339 WeakPolarHBondContact CG-OH 3.42Å; F266-Y339 HydrophobicContact CZ-CD2 4.33Å; F266-Y339 HydrophobicContact CZ-CE2 4.32Å
267S98.1Very high97.9Very high72 Ų7239.4 Ų39.450%0.50324%0.235SC..G310 helixtrans-65.8-18.6172.6730000113.3S265 K285S265-S267 PolarHBondContact O-N 3.47Å; S265-S267 VanDerWaalsContact O-N 3.12Å; S265-S267 WeakPolarHBondContact OG-CB 3.48Å; S265-S267 PolarHBondContact OG-N 2.92Å; S265-S267 PolarHBondContact OG-OG 2.85Å; S267-K285 WeakPolarHBondContact O-CD 3.44Å; S267-K285 WeakPolarHBondContact O-CE 3.25Å; S267-K285 PolarHBondContact O-NZ 3.22Å
268D98.4Very high97.9Very high23 Ų2339.3 Ų39.312%0.12323%0.234CC..G310 helixtrans-90.5-6.7175.9-72-31.6000113S265 F266 K285 K288 I292S265-D268 WeakPolarHBondContact O-CB 3.48Å; S265-D268 PolarHBondContact O-N 3.04Å; F266-D268 PolarHBondContact O-N 3.16Å; D268-K285 WeakPolarHBondContact O-CB 3.46Å; D268-K285 WeakPolarHBondContact O-CG 3.45Å; D268-K285 PolarHBondContact O-N 2.98Å; D268-K288 HydrophobicContact CB-CB 4.05Å; D268-K288 HydrophobicContact CB-CD 4.2Å; D268-K288 HydrophobicContact CB-CG 4Å; D268-K288 WeakPolarHBondContact OD1-CD 3.37Å; D268-K288 WeakPolarHBondContact OD1-CE 3.39Å; D268-K288 IonicContact OD1-NZ 3.24Å; D268-K288 PolarHBondContact OD1-NZ 2.78Å; D268-K288 IonicContact OD2-NZ 3.83Å; D268-I292 HydrophobicContact CB-CD1 3.99Å; D268-I292 HydrophobicContact CB-CG1 4.07Å
269V98.5Very high97.7Very high14 Ų1439.7 Ų39.79%0.08524%0.237CC..EExtended strand (participates in β ladder)trans-97.1134.3-179.5-178.70000109.6F264 F266 F271 Q272 L282 I292F264-V269 HydrophobicContact CE2-CG2 4.11Å; F264-V269 HydrophobicContact CZ-CG2 4.09Å; F266-V269 HydrophobicContact CD1-CG2 4.35Å; F266-V269 PolarHBondContact O-N 3.22Å; F266-V269 VanDerWaalsContact O-N 3.13Å; V269-F271 WeakPolarHBondContact CG1-O 3.36Å; V269-Q272 HydrophobicContact CG1-CB 4.09Å; V269-L282 HydrophobicContact CG1-CD2 4.24Å; V269-I292 HydrophobicContact CG2-CD1 3.8Å
270S98.3Very high97.7Very high53 Ų5337.5 Ų37.537%0.37122%0.222SC..EExtended strand (participates in β ladder)trans-94.7-31.5173.358.90000112.6L283S270-L283 PolarHBondContact N-O 3.18Å; S270-L283 WeakPolarHBondContact OG-CD2 3.34Å; S270-L283 WeakPolarHBondContact OG-CG 3.32Å; S270-L283 PolarHBondContact OG-O 3.25Å
271F98.8Very high97.8Very high8 Ų830.8 Ų30.84%0.03519%0.193CC..EExtended strand (participates in β ladder)trans-148.3147.3173.2178-87.2000110.2F94 T96 K101 V269 L273 L283 L324F94-F271 HydrophobicContact CB-CE1 4.45Å; F94-F271 HydrophobicContact CB-CE2 4.37Å; F94-F271 HydrophobicContact CB-CZ 3.65Å; F94-F271 AromaticContact CD2-CE1 3.7Å; F94-F271 HydrophobicContact CD2-CE1 3.7Å; F94-F271 AromaticContact CD2-CZ 3.68Å; F94-F271 HydrophobicContact CD2-CZ 3.68Å; F94-F271 HydrophobicContact CE2-CE1 4.18Å; F94-F271 HydrophobicContact CG-CE1 4.14Å; F94-F271 AromaticContact CG-CZ 3.83Å; F94-F271 HydrophobicContact CG-CZ 3.83Å; T96-F271 HydrophobicContact CG2-CB 4.35Å; T96-F271 HydrophobicContact CG2-CD1 3.83Å; T96-F271 HydrophobicContact CG2-CE1 4.25Å; T96-F271 HydrophobicContact CG2-CG 3.97Å; K101-F271 HydrophobicContact CD-CZ 4.47Å; K101-F271 HydrophobicContact CG-CE2 4.25Å; K101-F271 HydrophobicContact CG-CZ 4.15Å; V269-F271 WeakPolarHBondContact CG1-O 3.36Å; F271-L273 HydrophobicContact CE1-CB 4.22Å; F271-L283 HydrophobicContact CB-CB 3.94Å; F271-L283 HydrophobicContact CB-CD2 4.16Å; F271-L283 PolarHBondContact N-O 3.13Å; F271-L283 PolarHBondContact O-N 3.45Å; F271-L324 HydrophobicContact CD1-CD1 3.58Å; F271-L324 HydrophobicContact CE1-CD1 3.92Å
272Q98Very high97.8Very high39 Ų3929.9 Ų29.918%0.18219%0.188CC..EExtended strand (participates in β ladder)trans-139.5146.5178.769-174.120.800111.5K101 V269 L274 L282K101-Q272 WeakPolarHBondContact CE-O 3.43Å; K101-Q272 PolarHBondContact NZ-O 2.77Å; V269-Q272 HydrophobicContact CG1-CB 4.09Å; Q272-L274 HydrophobicContact CB-CD1 4.19Å; Q272-L274 HydrophobicContact CB-CG 4.21Å; Q272-L274 HydrophobicContact CG-CD1 4.4Å; Q272-L282 HydrophobicContact CB-CD2 3.57Å
273L98Very high97.9Very high2 Ų226.2 Ų26.21%0.0116%0.162CC..EExtended strand (participates in β ladder)trans-127.399.9166.8-161.3136000106.9H90 F94 F271 G280 M281H90-L273 VanDerWaalsContact NE2-CD2 3.28Å; H90-L273 WeakPolarHBondContact NE2-CD2 3.27Å; F94-L273 HydrophobicContact CB-CD1 4.44Å; F94-L273 HydrophobicContact CD1-CD1 3.5Å; F94-L273 HydrophobicContact CE1-CD1 3.93Å; F94-L273 HydrophobicContact CG-CD1 4.07Å; F271-L273 HydrophobicContact CE1-CB 4.22Å; L273-G280 CarbonylContact O-C 3.48Å; L273-G280 WeakPolarHBondContact O-CA 3.32Å; L273-M281 HydrophobicContact CB-CB 4.4Å; L273-M281 HydrophobicContact CD2-CE 4.33Å; L273-M281 PolarHBondContact N-O 3.34Å; L273-M281 PolarHBondContact O-N 2.89Å
274L97.8Very high98Very high11 Ų1124 Ų246%0.05814%0.136CC..  trans-138.8179.1-174-61.1174.4000107.5L258 F266 Q272 Y276 L282 L328 L336L258-L274 HydrophobicContact CD1-CD1 3.73Å; L258-L274 HydrophobicContact CD1-CD2 3.76Å; L258-L274 HydrophobicContact CD1-CG 4.42Å; F266-L274 HydrophobicContact CE1-CD1 3.66Å; F266-L274 HydrophobicContact CZ-CD1 3.96Å; Q272-L274 HydrophobicContact CB-CD1 4.19Å; Q272-L274 HydrophobicContact CB-CG 4.21Å; Q272-L274 HydrophobicContact CG-CD1 4.4Å; L274-Y276 PolarHBondContact O-N 3.45Å; L274-L282 HydrophobicContact CD1-CD2 4.01Å; L274-L282 HydrophobicContact CD2-CD2 4.1Å; L274-L282 HydrophobicContact CG-CD2 4.1Å; L274-L328 HydrophobicContact CD2-CD1 4.44Å; L274-L336 HydrophobicContact CD2-CD2 3.43Å; L274-L336 VanDerWaalsContact CD2-CD2 3.43Å; L274-L336 HydrophobicContact CD2-CG 4.05Å
275D97.3Very high98Very high52 Ų5227.5 Ų27.528%0.27815%0.151SC..SBendtrans62.230.4177-50.2-60.7000112.3L336 N337 G338 V342D275-L336 PolarHBondContact N-O 3.26Å; D275-N337 WeakPolarHBondContact OD1-CA 3.41Å; D275-G338 PolarHBondContact OD1-N 3.43Å; D275-V342 HydrophobicContact CB-CG2 3.77Å
276Y97.1Very high98Very high71 Ų7131.6 Ų31.628%0.27818%0.177SC..SBendtrans-138.773.5-177.4-161.7-90.5000110.1H90 N91 M92 L274H90-Y276 AromaticContact CE1-CD1 3.29Å; H90-Y276 WeakPolarHBondContact CE1-CD1 3.48Å; H90-Y276 AromaticContact CE1-CE1 3.48Å; H90-Y276 VanDerWaalsContact CE1-CE1 3.48Å; H90-Y276 WeakPolarHBondContact CE1-CE1 3.45Å; H90-Y276 AromaticContact CE1-CG 3.85Å; H90-Y276 AromaticContact NE2-CD1 3.48Å; H90-Y276 WeakPolarHBondContact NE2-CD1 3.46Å; H90-Y276 AromaticContact NE2-CE1 3.91Å; N91-Y276 HydrophobicContact CB-CE1 4.13Å; N91-Y276 VanDerWaalsContact CB-OH 3.23Å; N91-Y276 WeakPolarHBondContact CB-OH 3.46Å; N91-Y276 PolarHBondContact ND2-OH 3.07Å; M92-Y276 HydrophobicContact CG-CE2 4.38Å; M92-Y276 HydrophobicContact SD-CD2 3.79Å; M92-Y276 HydrophobicContact SD-CE2 4Å; M92-Y276 HydrophobicContact SD-CG 4.35Å; L274-Y276 PolarHBondContact O-N 3.45Å
277G97.3Very high98Very high0 Ų034.4 Ų34.40%021%0.211CC..THydrogen-bonded Turntrans74.3-147.5-179.400000113.7L336 Q343 E348G277-L336 PolarHBondContact O-N 3.36Å; G277-Q343 VanDerWaalsContact CA-OE1 3.3Å; G277-Q343 PolarHBondContact O-NE2 2.82Å; G277-E348 WeakPolarHBondContact CA-OE1 3.4Å; G277-E348 PolarHBondContact N-OE1 3.4Å
278P97.6Very high98.1Very high2 Ų234.4 Ų34.41%0.01320%0.202CC..THydrogen-bonded Turntrans-84.2-12.1-175.134.8-37.2000113.9W329 T330 H349 G350 F351P278-W329 CarbonylContact O-C 3.56Å; P278-W329 VanDerWaalsContact O-CA 3.23Å; P278-W329 WeakPolarHBondContact O-CA 3.26Å; P278-T330 WeakPolarHBondContact CA-OG1 3.32Å; P278-T330 WeakPolarHBondContact CB-OG1 3.17Å; P278-T330 PolarHBondContact O-N 2.84Å; P278-T330 PolarHBondContact O-OG1 3.42Å; P278-H349 WeakPolarHBondContact CD-O 3.36Å; P278-H349 WeakPolarHBondContact CG-O 3.18Å; P278-G350 VanDerWaalsContact CG-C 3.43Å; P278-F351 HydrophobicContact CB-CD1 3.52Å; P278-F351 HydrophobicContact CB-CE1 3.25Å; P278-F351 HydrophobicContact CB-CE2 4.26Å; P278-F351 HydrophobicContact CB-CG 4.16Å; P278-F351 HydrophobicContact CB-CZ 3.66Å; P278-F351 HydrophobicContact CG-CD1 3.76Å; P278-F351 HydrophobicContact CG-CD2 3.94Å; P278-F351 HydrophobicContact CG-CE1 3.76Å; P278-F351 HydrophobicContact CG-CE2 3.89Å; P278-F351 HydrophobicContact CG-CG 3.87Å; P278-F351 HydrophobicContact CG-CZ 3.82Å
279S96.1Very high98.1Very high9 Ų935.8 Ų35.86%0.06321%0.209CC..  trans-114.5147.5-171.2-69.80000112L67 L328 G350L67-S279 VanDerWaalsContact CD2-OG 3.26Å; L67-S279 WeakPolarHBondContact CD2-OG 3.19Å; S279-L328 CarbonylContact C-O 3.57Å; S279-L328 WeakPolarHBondContact CA-O 3.48Å; S279-G350 PolarHBondContact OG-O 2.97Å
280G97.6Very high98.1Very high3 Ų339.9 Ų39.93%0.03123%0.228CC..EExtended strand (participates in β ladder)trans-153.6163.8-179.200000113.4L273 L328L273-G280 CarbonylContact O-C 3.48Å; L273-G280 WeakPolarHBondContact O-CA 3.32Å; G280-L328 PolarHBondContact N-O 3.21Å; G280-L328 PolarHBondContact O-N 2.77Å
281M98.5Very high98.1Very high4 Ų440.4 Ų40.42%0.0223%0.229CC..EExtended strand (participates in β ladder)trans-139137.9-179.5-69.8-173.1-73.400110.5I89 F94 L273 I323 L324 I326 V327I89-M281 HydrophobicContact CD1-CE 4.11Å; I89-M281 HydrophobicContact CD1-SD 4.33Å; F94-M281 HydrophobicContact CE1-CE 4.06Å; F94-M281 HydrophobicContact CZ-CE 4.15Å; L273-M281 HydrophobicContact CB-CB 4.4Å; L273-M281 HydrophobicContact CD2-CE 4.33Å; L273-M281 PolarHBondContact N-O 3.34Å; L273-M281 PolarHBondContact O-N 2.89Å; M281-I323 HydrophobicContact SD-CG2 4.37Å; M281-L324 HydrophobicContact CB-CB 3.97Å; M281-L324 HydrophobicContact CB-CD1 3.71Å; M281-L324 HydrophobicContact CB-CG 3.86Å; M281-L324 HydrophobicContact SD-CG 4.3Å; M281-I326 CarbonylContact C-O 3.37Å; M281-I326 WeakPolarHBondContact CA-O 3.48Å; M281-V327 HydrophobicContact CG-CG2 4.4Å
282L98.8Very high98.1Very high0 Ų040.1 Ų40.10%023%0.228CC..EExtended strand (participates in β ladder)trans-124.8137.2177.8-58173.8000110.6F264 V269 Q272 L274 P284 I292 L296 L324 I326 L328F264-L282 HydrophobicContact CE2-CD1 4.12Å; F264-L282 HydrophobicContact CZ-CD1 4.43Å; V269-L282 HydrophobicContact CG1-CD2 4.24Å; Q272-L282 HydrophobicContact CB-CD2 3.57Å; L274-L282 HydrophobicContact CD1-CD2 4.01Å; L274-L282 HydrophobicContact CD2-CD2 4.1Å; L274-L282 HydrophobicContact CG-CD2 4.1Å; L282-P284 WeakPolarHBondContact O-CD 3.45Å; L282-I292 HydrophobicContact CD1-CG2 4.13Å; L282-L296 HydrophobicContact CD1-CD1 3.81Å; L282-L324 WeakPolarHBondContact O-CB 3.33Å; L282-I326 HydrophobicContact CB-CB 4.19Å; L282-I326 PolarHBondContact N-O 3.49Å; L282-I326 PolarHBondContact O-N 2.81Å; L282-L328 HydrophobicContact CD1-CD1 3.86Å; L282-L328 HydrophobicContact CG-CD1 3.72Å
283L98.8Very high98.1Very high40 Ų4039 Ų3921%0.20922%0.222CC..EExtended strand (participates in β ladder)trans-104.4108165.7-176.563.5000108.6T96 S270 F271 L324 P325T96-L283 HydrophobicContact CG2-CD2 4.11Å; S270-L283 PolarHBondContact N-O 3.18Å; S270-L283 WeakPolarHBondContact OG-CD2 3.34Å; S270-L283 WeakPolarHBondContact OG-CG 3.32Å; S270-L283 PolarHBondContact OG-O 3.25Å; F271-L283 HydrophobicContact CB-CB 3.94Å; F271-L283 HydrophobicContact CB-CD2 4.16Å; F271-L283 PolarHBondContact N-O 3.13Å; F271-L283 PolarHBondContact O-N 3.45Å; L283-L324 HydrophobicContact CB-CD1 4.23Å; L283-P325 HydrophobicContact CD1-CG 3.78Å
284P98.7Very high98.1Very high15 Ų1543.8 Ų43.810%0.09725%0.251CS..EExtended strand (participates in β ladder)trans-66.4150.5174.5-23.636.1000112.7L282 K288 L289 I292 I326L282-P284 WeakPolarHBondContact O-CD 3.45Å; P284-K288 HydrophobicContact CB-CB 4.36Å; P284-L289 HydrophobicContact CB-CB 4.24Å; P284-L289 HydrophobicContact CG-CB 4.09Å; P284-L289 HydrophobicContact CG-CG 4.27Å; P284-I292 HydrophobicContact CB-CD1 3.85Å; P284-I292 HydrophobicContact CG-CD1 4.13Å; P284-I326 HydrophobicContact CG-CD1 3.75Å; P284-I326 HydrophobicContact CG-CG1 4.19Å
285K98.7Very high98.1Very high92 Ų9244.1 Ų44.140%0.426%0.256SS..PPolyproline II helixtrans-63.6158.7162.6-72.5179.3-178.21760110.9S267 D268 G287 K288S267-K285 WeakPolarHBondContact O-CD 3.44Å; S267-K285 WeakPolarHBondContact O-CE 3.25Å; S267-K285 PolarHBondContact O-NZ 3.22Å; D268-K285 WeakPolarHBondContact O-CB 3.46Å; D268-K285 WeakPolarHBondContact O-CG 3.45Å; D268-K285 PolarHBondContact O-N 2.98Å; K285-G287 PolarHBondContact O-N 2.91Å; K285-K288 HydrophobicContact CB-CB 4.43Å; K285-K288 HydrophobicContact CB-CG 4.08Å; K285-K288 WeakPolarHBondContact O-CB 3.29Å; K285-K288 PolarHBondContact O-N 2.77Å
286P98.4Very high98.2Very high133 Ų13341.7 Ų41.786%0.86424%0.242SC*.THydrogen-bonded Turntrans-50.9127.8177.1-28.135.6000112.4K288P286-K288 VanDerWaalsContact C-N 3.3Å; P286-K288 PolarHBondContact O-N 2.87Å
287G98.3Very high98.2Very high79 Ų7943.9 Ų43.981%0.81425%0.254SS*.THydrogen-bonded Turntrans77.82.3-179.500000116K285K285-G287 PolarHBondContact O-N 2.91Å
288K98.7Very high98.1Very high73 Ų7347.2 Ų47.232%0.31729%0.288SS..  trans-102.6-2.9-177.1-63.6-61-171.7141.70115.6D268 P284 K285 P286 E290 T291 I292D268-K288 HydrophobicContact CB-CB 4.05Å; D268-K288 HydrophobicContact CB-CD 4.2Å; D268-K288 HydrophobicContact CB-CG 4Å; D268-K288 WeakPolarHBondContact OD1-CD 3.37Å; D268-K288 WeakPolarHBondContact OD1-CE 3.39Å; D268-K288 IonicContact OD1-NZ 3.24Å; D268-K288 PolarHBondContact OD1-NZ 2.78Å; D268-K288 IonicContact OD2-NZ 3.83Å; P284-K288 HydrophobicContact CB-CB 4.36Å; K285-K288 HydrophobicContact CB-CB 4.43Å; K285-K288 HydrophobicContact CB-CG 4.08Å; K285-K288 WeakPolarHBondContact O-CB 3.29Å; K285-K288 PolarHBondContact O-N 2.77Å; P286-K288 VanDerWaalsContact C-N 3.3Å; P286-K288 PolarHBondContact O-N 2.87Å; K288-E290 PolarHBondContact O-N 2.91Å; K288-T291 WeakPolarHBondContact O-CB 3.48Å; K288-T291 PolarHBondContact O-N 3.22Å; K288-I292 HydrophobicContact CB-CD1 4.41Å; K288-I292 WeakPolarHBondContact O-CG1 3.49Å; K288-I292 PolarHBondContact O-N 2.9Å
289L98.6Very high98.1Very high52 Ų5249.2 Ų49.227%0.27230%0.304SS..Hα-helixtrans-54.9-55.2-177.3-173.8153.7000112.2P284 T291 I292 Y293 K307 P325P284-L289 HydrophobicContact CB-CB 4.24Å; P284-L289 HydrophobicContact CG-CB 4.09Å; P284-L289 HydrophobicContact CG-CG 4.27Å; L289-T291 VanDerWaalsContact C-N 3.31Å; L289-T291 PolarHBondContact O-N 3.47Å; L289-I292 PolarHBondContact O-N 2.93Å; L289-Y293 VanDerWaalsContact O-CB 3.28Å; L289-Y293 WeakPolarHBondContact O-CB 3.39Å; L289-Y293 PolarHBondContact O-N 3.45Å; L289-K307 HydrophobicContact CD2-CD 3.98Å; L289-K307 HydrophobicContact CD2-CG 4.33Å; L289-P325 HydrophobicContact CD1-CB 3.91Å
290E98.4Very high98.2Very high100 Ų10049.3 Ų49.347%0.46730%0.304SS..Hα-helixtrans-66-33.6-178.8-63.4-54.7146.700112.8K288 T294 K307K288-E290 PolarHBondContact O-N 2.91Å; E290-T294 VanDerWaalsContact O-CB 3.25Å; E290-T294 WeakPolarHBondContact O-CB 3.34Å; E290-T294 PolarHBondContact O-N 2.56Å; E290-T294 PolarHBondContact O-OG1 3.34Å; E290-K307 WeakPolarHBondContact OE1-CE 3.38Å; E290-K307 IonicContact OE1-NZ 2.78Å; E290-K307 PolarHBondContact OE1-NZ 2.86Å; E290-K307 IonicContact OE2-NZ 3.31Å; E290-K307 PolarHBondContact OE2-NZ 3.1Å
291T98.3Very high98.1Very high64 Ų6453.9 Ų53.939%0.39333%0.333SS..Hα-helixtrans-61.3-50.5176.1-53.70000110.7K288 L289 A295K288-T291 WeakPolarHBondContact O-CB 3.48Å; K288-T291 PolarHBondContact O-N 3.22Å; L289-T291 VanDerWaalsContact C-N 3.31Å; L289-T291 PolarHBondContact O-N 3.47Å; T291-A295 WeakPolarHBondContact O-CB 3.32Å; T291-A295 PolarHBondContact O-N 3.49Å; T291-A295 VanDerWaalsContact O-N 3.14Å
292I98.6Very high98.1Very high2 Ų255.6 Ų55.61%0.0134%0.342CS..Hα-helixtrans-66.7-47.9179.6-65.6173.6000110.5F264 D268 V269 L282 P284 K288 L289 T294 A295 L296 I326F264-I292 HydrophobicContact CD2-CG2 4.05Å; F264-I292 HydrophobicContact CE2-CG2 3.88Å; D268-I292 HydrophobicContact CB-CD1 3.99Å; D268-I292 HydrophobicContact CB-CG1 4.07Å; V269-I292 HydrophobicContact CG2-CD1 3.8Å; L282-I292 HydrophobicContact CD1-CG2 4.13Å; P284-I292 HydrophobicContact CB-CD1 3.85Å; P284-I292 HydrophobicContact CG-CD1 4.13Å; K288-I292 HydrophobicContact CB-CD1 4.41Å; K288-I292 WeakPolarHBondContact O-CG1 3.49Å; K288-I292 PolarHBondContact O-N 2.9Å; L289-I292 PolarHBondContact O-N 2.93Å; I292-T294 PolarHBondContact O-N 3.43Å; I292-A295 PolarHBondContact O-N 2.88Å; I292-L296 HydrophobicContact CG2-CD1 3.71Å; I292-L296 HydrophobicContact CG2-CG 4.35Å; I292-L296 WeakPolarHBondContact O-CG 3.21Å; I292-L296 PolarHBondContact O-N 3.35Å; I292-I326 HydrophobicContact CB-CD1 3.9Å; I292-I326 HydrophobicContact CG2-CD1 3.55Å
293Y98.6Very high98Very high16 Ų1655.8 Ų55.86%0.06334%0.343CS..Hα-helixtrans-58.5-47.6-178.3177-102.5000111.9L289 A295 L296 K297 V305 K307 E310L289-Y293 VanDerWaalsContact O-CB 3.28Å; L289-Y293 WeakPolarHBondContact O-CB 3.39Å; L289-Y293 PolarHBondContact O-N 3.45Å; Y293-A295 VanDerWaalsContact C-N 3.35Å; Y293-A295 PolarHBondContact O-N 2.89Å; Y293-L296 PolarHBondContact O-N 3.03Å; Y293-K297 HydrophobicContact CE1-CD 3.7Å; Y293-K297 HydrophobicContact CE2-CD 4.16Å; Y293-K297 VanDerWaalsContact CZ-CD 3.5Å; Y293-K297 WeakPolarHBondContact O-CB 3.46Å; Y293-K297 PolarHBondContact O-N 3.46Å; Y293-K297 WeakPolarHBondContact OH-CD 3.32Å; Y293-K297 PolarHBondContact OH-NZ 3.26Å; Y293-V305 HydrophobicContact CD2-CG1 4.15Å; Y293-K307 VanDerWaalsContact CD1-CE 3.49Å; Y293-K307 HydrophobicContact CD2-CG 3.74Å; Y293-K307 HydrophobicContact CE2-CD 4.47Å; Y293-K307 HydrophobicContact CE2-CG 3.71Å; Y293-K307 HydrophobicContact CG-CG 4.23Å; Y293-E310 VanDerWaalsContact CZ-OE2 3.31Å; Y293-E310 PolarHBondContact OH-OE2 3.07Å
294T98Very high97.9Very high101 Ų10156.4 Ų56.462%0.6235%0.345SS*.Hα-helixtrans-68-34.6-179.9-52.70000112.2E290 I292 L296E290-T294 VanDerWaalsContact O-CB 3.25Å; E290-T294 WeakPolarHBondContact O-CB 3.34Å; E290-T294 PolarHBondContact O-N 2.56Å; E290-T294 PolarHBondContact O-OG1 3.34Å; I292-T294 PolarHBondContact O-N 3.43Å; T294-L296 VanDerWaalsContact C-N 3.34Å
295A98.4Very high97.9Very high19 Ų1956.1 Ų56.116%0.15734%0.343CS..Hα-helixtrans-67.8-34.5177.200000112.7I261 F264 T291 I292 Y293I261-A295 VanDerWaalsContact CG2-O 3.32Å; I261-A295 WeakPolarHBondContact CG2-O 3.18Å; F264-A295 HydrophobicContact CB-CB 4.2Å; T291-A295 WeakPolarHBondContact O-CB 3.32Å; T291-A295 PolarHBondContact O-N 3.49Å; T291-A295 VanDerWaalsContact O-N 3.14Å; I292-A295 PolarHBondContact O-N 2.88Å; Y293-A295 VanDerWaalsContact C-N 3.35Å; Y293-A295 PolarHBondContact O-N 2.89Å
296L98.5Very high97.9Very high0 Ų054.5 Ų54.50%034%0.335CS..Hα-helixtrans-93.2-32-175.4-63.2-179.7000113.4L258 I261 F264 L282 I292 Y293 T294 G298 A299 V305 L328L258-L296 HydrophobicContact CD2-CD2 3.97Å; I261-L296 HydrophobicContact CB-CD2 4.3Å; I261-L296 HydrophobicContact CD1-CD2 3.66Å; I261-L296 HydrophobicContact CG2-CD2 4.07Å; F264-L296 HydrophobicContact CB-CD2 3.83Å; F264-L296 HydrophobicContact CD1-CD2 4.45Å; F264-L296 HydrophobicContact CD2-CD1 3.8Å; F264-L296 HydrophobicContact CD2-CD2 3.61Å; F264-L296 HydrophobicContact CD2-CG 3.75Å; F264-L296 HydrophobicContact CE2-CD1 3.85Å; F264-L296 HydrophobicContact CE2-CD2 4.29Å; F264-L296 HydrophobicContact CE2-CG 4.32Å; F264-L296 HydrophobicContact CG-CD2 3.7Å; F264-L296 HydrophobicContact CG-CG 4.32Å; L282-L296 HydrophobicContact CD1-CD1 3.81Å; I292-L296 HydrophobicContact CG2-CD1 3.71Å; I292-L296 HydrophobicContact CG2-CG 4.35Å; I292-L296 WeakPolarHBondContact O-CG 3.21Å; I292-L296 PolarHBondContact O-N 3.35Å; Y293-L296 PolarHBondContact O-N 3.03Å; T294-L296 VanDerWaalsContact C-N 3.34Å; L296-G298 PolarHBondContact O-N 2.99Å; L296-A299 WeakPolarHBondContact O-CB 2.83Å; L296-A299 PolarHBondContact O-N 3.01Å; L296-V305 HydrophobicContact CB-CG1 4.18Å; L296-V305 HydrophobicContact CB-CG2 3.88Å; L296-L328 HydrophobicContact CD1-CD2 3.97Å
297K97.1Very high97.9Very high118 Ų11849.5 Ų49.551%0.51330%0.299SS..THydrogen-bonded Turntrans-65.3116.9-177.1-175.9170.2-172.3172.70111Y293 A299Y293-K297 HydrophobicContact CE1-CD 3.7Å; Y293-K297 HydrophobicContact CE2-CD 4.16Å; Y293-K297 VanDerWaalsContact CZ-CD 3.5Å; Y293-K297 WeakPolarHBondContact O-CB 3.46Å; Y293-K297 PolarHBondContact O-N 3.46Å; Y293-K297 WeakPolarHBondContact OH-CD 3.32Å; Y293-K297 PolarHBondContact OH-NZ 3.26Å; K297-A299 PolarHBondContact O-N 2.84Å
298G95.5Very high97.8Very high70 Ų7047.2 Ų47.272%0.72227%0.267SS*.THydrogen-bonded Turntrans73.512.5-177.600000114L296 H300L296-G298 PolarHBondContact O-N 2.99Å; G298-H300 VanDerWaalsContact C-N 3.25Å; G298-H300 PolarHBondContact O-N 3.44Å
299A97.4Very high97.6Very high43 Ų4350.8 Ų50.836%0.35529%0.285SS..SBendtrans-70.2-22.6178.200000113.5I261 L296 K297I261-A299 HydrophobicContact CD1-CB 3.92Å; I261-A299 HydrophobicContact CG1-CB 4.23Å; I261-A299 HydrophobicContact CG2-CB 3.52Å; L296-A299 WeakPolarHBondContact O-CB 2.83Å; L296-A299 PolarHBondContact O-N 3.01Å; K297-A299 PolarHBondContact O-N 2.84Å
300H97.9Very high97.5Very high11 Ų1152.5 Ų52.55%0.05129%0.291CS..SBendtrans-145.9138.9176.7-174.7-86.3000108.9E254 I256 G298 N302 L303E254-H300 PolarHBondContact O-NE2 2.95Å; E254-H300 IonicContact OE1-CD2 3.66Å; E254-H300 IonicContact OE2-NE2 3.79Å; I256-H300 VanDerWaalsContact CG1-CE1 3.46Å; I256-H300 WeakPolarHBondContact CG1-CE1 3.29Å; I256-H300 WeakPolarHBondContact CG1-ND1 3.46Å; G298-H300 VanDerWaalsContact C-N 3.25Å; G298-H300 PolarHBondContact O-N 3.44Å; H300-N302 VanDerWaalsContact C-N 3.25Å; H300-N302 PolarHBondContact CE1-ND2 2.64Å; H300-N302 PolarHBondContact ND1-N 2.93Å; H300-N302 VanDerWaalsContact ND1-N 3.11Å; H300-N302 PolarHBondContact O-N 2.83Å; H300-L303 HydrophobicContact CB-CB 3.85Å; H300-L303 PolarHBondContact O-N 3.13Å; H300-L303 VanDerWaalsContact O-N 3.15Å
301P96.6Very high97.3Very high99 Ų9948.3 Ų48.364%0.64327%0.272SS*.THydrogen-bonded Turntrans-61.6-32.8-174.923.1-34.3000113.5
302N97.6Very high97.1Very high40 Ų4046.9 Ų46.921%0.21426%0.264CS..THydrogen-bonded Turntrans-9714.6-180-52.4-61.4000113.7I256 H300 T330 D331 F334I256-N302 HydrophobicContact CD1-CB 4.3Å; I256-N302 WeakPolarHBondContact CD1-O 3.46Å; H300-N302 VanDerWaalsContact C-N 3.25Å; H300-N302 PolarHBondContact CE1-ND2 2.64Å; H300-N302 PolarHBondContact ND1-N 2.93Å; H300-N302 VanDerWaalsContact ND1-N 3.11Å; H300-N302 PolarHBondContact O-N 2.83Å; N302-T330 WeakPolarHBondContact O-CA 3.25Å; N302-T330 WeakPolarHBondContact O-CB 3.47Å; N302-D331 WeakPolarHBondContact CA-OD2 3.17Å; N302-D331 HydrophobicContact CB-CB 4.08Å; N302-D331 PolarHBondContact O-N 3.44Å; N302-D331 VanDerWaalsContact O-N 3.07Å; N302-D331 PolarHBondContact OD1-OD2 3.32Å; N302-F334 HydrophobicContact CB-CD1 4.36Å; N302-F334 HydrophobicContact CB-CD2 3.8Å; N302-F334 HydrophobicContact CB-CE2 4Å; N302-F334 HydrophobicContact CB-CG 4.01Å; N302-F334 HydrophobicContact CB-CZ 4.37Å; N302-F334 WeakPolarHBondContact ND2-CE2 3.42Å; N302-F334 WeakPolarHBondContact ND2-CZ 3.42Å
303L98Very high96.9Very high5 Ų554.9 Ų54.93%0.02630%0.301CS..EExtended strand (participates in β ladder)trans-115.9121.7176.9176.663.8000109.2I256 L258 I261 H300 V305 L328 T330 L336I256-L303 HydrophobicContact CD1-CB 4.21Å; I256-L303 HydrophobicContact CG2-CB 4.38Å; I256-L303 HydrophobicContact CG2-CD1 4.28Å; I256-L303 HydrophobicContact CG2-CD2 4.1Å; I256-L303 HydrophobicContact CG2-CG 4.49Å; L258-L303 HydrophobicContact CD2-CD2 4.06Å; I261-L303 HydrophobicContact CD1-CD2 4.07Å; H300-L303 HydrophobicContact CB-CB 3.85Å; H300-L303 PolarHBondContact O-N 3.13Å; H300-L303 VanDerWaalsContact O-N 3.15Å; L303-V305 HydrophobicContact CD1-CG2 4.44Å; L303-V305 HydrophobicContact CD2-CG2 4.12Å; L303-V305 HydrophobicContact CG-CG2 3.9Å; L303-L328 HydrophobicContact CD1-CB 4.22Å; L303-L328 HydrophobicContact CD1-CD2 4.16Å; L303-T330 HydrophobicContact CD1-CG2 4.14Å; L303-L336 HydrophobicContact CD1-CD1 3.79Å
304H96.8Very high96.6Very high53 Ų5357.9 Ų57.925%0.24532%0.315CS..EExtended strand (participates in β ladder)trans-109.7138172.7-42.6-88.4000110.2Y306 L328 W329 D331H304-Y306 HydrophobicContact CB-CD2 4.42Å; H304-Y306 HydrophobicContact CB-CE2 3.63Å; H304-L328 WeakPolarHBondContact O-CA 3.4Å; H304-W329 VanDerWaalsContact CB-NE1 3.31Å; H304-W329 AromaticContact CD2-CD1 3.32Å; H304-W329 AromaticContact CD2-NE1 3.18Å; H304-W329 PolarHBondContact CD2-NE1 3.37Å; H304-W329 AromaticContact CG-CD1 3.65Å; H304-W329 AromaticContact CG-NE1 3.37Å; H304-W329 PolarHBondContact N-O 2.97Å; H304-W329 PolarHBondContact O-N 2.98Å; H304-W329 VanDerWaalsContact O-N 3.07Å; H304-D331 IonicContact CD2-OD1 3.78Å; H304-D331 IonicContact CE1-OD1 3.6Å; H304-D331 IonicContact NE2-OD1 3.43Å; H304-D331 PolarHBondContact NE2-OD1 3.26Å; H304-D331 IonicContact NE2-OD2 3.91Å
305V98.1Very high96.4Very high9 Ų953.1 Ų53.16%0.05529%0.286CS..EExtended strand (participates in β ladder)trans-131.8122-172.9-1720000108.2Y293 L296 L303 I326 L328Y293-V305 HydrophobicContact CD2-CG1 4.15Å; L296-V305 HydrophobicContact CB-CG1 4.18Å; L296-V305 HydrophobicContact CB-CG2 3.88Å; L303-V305 HydrophobicContact CD1-CG2 4.44Å; L303-V305 HydrophobicContact CD2-CG2 4.12Å; L303-V305 HydrophobicContact CG-CG2 3.9Å; V305-I326 HydrophobicContact CG1-CG2 3.74Å; V305-L328 HydrophobicContact CG2-CD2 4.21Å
306Y97.9Very high96.4Very high57 Ų5754.6 Ų54.622%0.22429%0.29CS..EExtended strand (participates in β ladder)trans-122.1141.9-178.6-64.1-86.9000109.3H304 E310 M311 P312 I326 V327 W329H304-Y306 HydrophobicContact CB-CD2 4.42Å; H304-Y306 HydrophobicContact CB-CE2 3.63Å; Y306-E310 WeakPolarHBondContact CD1-O 3.47Å; Y306-M311 WeakPolarHBondContact CB-SD 3.25Å; Y306-M311 HydrophobicContact CD2-SD 3.86Å; Y306-M311 HydrophobicContact CG-SD 3.74Å; Y306-P312 HydrophobicContact CE1-CG 4.27Å; Y306-I326 WeakPolarHBondContact O-CA 3.49Å; Y306-V327 PolarHBondContact N-O 3.33Å; Y306-V327 PolarHBondContact O-N 3.25Å; Y306-W329 HydrophobicContact CE2-CZ2 4.37Å; Y306-W329 AromaticContact CE2-NE1 3.88Å
307K98.3Very high96.3Very high29 Ų2954.7 Ų54.713%0.12629%0.29CS..EExtended strand (participates in β ladder)trans-68.2147.4153.4-61.9177.4-169.4172.80107.2L289 E290 Y293 E309 E310 M311 P325L289-K307 HydrophobicContact CD2-CD 3.98Å; L289-K307 HydrophobicContact CD2-CG 4.33Å; E290-K307 WeakPolarHBondContact OE1-CE 3.38Å; E290-K307 IonicContact OE1-NZ 2.78Å; E290-K307 PolarHBondContact OE1-NZ 2.86Å; E290-K307 IonicContact OE2-NZ 3.31Å; E290-K307 PolarHBondContact OE2-NZ 3.1Å; Y293-K307 VanDerWaalsContact CD1-CE 3.49Å; Y293-K307 HydrophobicContact CD2-CG 3.74Å; Y293-K307 HydrophobicContact CE2-CD 4.47Å; Y293-K307 HydrophobicContact CE2-CG 3.71Å; Y293-K307 HydrophobicContact CG-CG 4.23Å; K307-E309 PolarHBondContact O-N 3.24Å; K307-E309 VanDerWaalsContact O-N 3.1Å; K307-E310 HydrophobicContact CB-CB 4.36Å; K307-E310 HydrophobicContact CB-CG 4.01Å; K307-E310 WeakPolarHBondContact O-CA 3.49Å; K307-E310 WeakPolarHBondContact O-CB 3.26Å; K307-E310 PolarHBondContact O-N 3.29Å; K307-M311 PolarHBondContact O-N 3.5Å; K307-P325 CarbonylContact C-O 3.49Å; K307-P325 WeakPolarHBondContact CA-O 3.36Å
308K96.8Very high96.2Very high31 Ų3151 Ų5114%0.13528%0.279CS..G310 helixtrans-48.1-42179.2176.3-178.1178.91710112.4E310 M311 S318 N320 I323 P325K308-E310 PolarHBondContact O-N 3.25Å; K308-M311 WeakPolarHBondContact O-CG 3.2Å; K308-M311 PolarHBondContact O-N 3.32Å; K308-S318 WeakPolarHBondContact CE-O 3.45Å; K308-S318 WeakPolarHBondContact O-CB 3.47Å; K308-N320 WeakPolarHBondContact CE-O 3.37Å; K308-N320 PolarHBondContact NZ-O 2.95Å; K308-I323 HydrophobicContact CD-CB 4.32Å; K308-I323 HydrophobicContact CD-CG2 4.19Å; K308-I323 WeakPolarHBondContact CD-O 3.4Å; K308-I323 HydrophobicContact CG-CG2 4.01Å; K308-I323 PolarHBondContact NZ-O 2.95Å; K308-P325 PolarHBondContact N-O 2.9Å
309E95.3Very high96.1Very high147 Ų14753.1 Ų53.169%0.68727%0.274SS*.G310 helixtrans-75.4-11.9-177.7-54.575.1-16300113.5K307K307-E309 PolarHBondContact O-N 3.24Å; K307-E309 VanDerWaalsContact O-N 3.1Å
310E95.8Very high96.1Very high89 Ų8952.5 Ų52.542%0.41627%0.265SS..G310 helixtrans-1040.5179.8-61.8173.817000112.4Y293 Y306 K307 K308Y293-E310 VanDerWaalsContact CZ-OE2 3.31Å; Y293-E310 PolarHBondContact OH-OE2 3.07Å; Y306-E310 WeakPolarHBondContact CD1-O 3.47Å; K307-E310 HydrophobicContact CB-CB 4.36Å; K307-E310 HydrophobicContact CB-CG 4.01Å; K307-E310 WeakPolarHBondContact O-CA 3.49Å; K307-E310 WeakPolarHBondContact O-CB 3.26Å; K307-E310 PolarHBondContact O-N 3.29Å; K308-E310 PolarHBondContact O-N 3.25Å
311M94.6Very high96.1Very high12 Ų1259.6 Ų59.66%0.05930%0.303CS..SBendtrans-58.6138.2177.2-76.4-65-64.300110.4Y66 Y306 K307 K308 E313 L315 F317 V327Y66-M311 HydrophobicContact CE1-CE 3.86Å; Y306-M311 WeakPolarHBondContact CB-SD 3.25Å; Y306-M311 HydrophobicContact CD2-SD 3.86Å; Y306-M311 HydrophobicContact CG-SD 3.74Å; K307-M311 PolarHBondContact O-N 3.5Å; K308-M311 WeakPolarHBondContact O-CG 3.2Å; K308-M311 PolarHBondContact O-N 3.32Å; M311-E313 PolarHBondContact O-N 3.02Å; M311-L315 HydrophobicContact CE-CD1 3.71Å; M311-F317 HydrophobicContact CE-CD1 4.36Å; M311-V327 HydrophobicContact CE-CG1 4.18Å; M311-V327 HydrophobicContact CG-CG2 4.5Å; M311-V327 HydrophobicContact SD-CB 3.82Å; M311-V327 HydrophobicContact SD-CG1 3.91Å; M311-V327 HydrophobicContact SD-CG2 4.34Å
312P94.5Very high96.1Very high33 Ų3357.9 Ų57.921%0.21428%0.284CS..  trans-55126.4176.8-25.932.4000112.4Y306 H314 L315Y306-P312 HydrophobicContact CE1-CG 4.27Å; P312-H314 WeakPolarHBondContact CB-CE1 3.32Å; P312-H314 WeakPolarHBondContact CB-ND1 3.5Å; P312-H314 PolarHBondContact O-N 3.07Å; P312-L315 HydrophobicContact CB-CD1 3.84Å; P312-L315 HydrophobicContact CB-CG 4.15Å; P312-L315 HydrophobicContact CG-CD1 3.85Å; P312-L315 WeakPolarHBondContact O-CB 3.11Å; P312-L315 PolarHBondContact O-N 3.02Å
313E93.4Very high96.1Very high170 Ų17056.1 Ų56.179%0.79427%0.274SS*.G310 helixtrans-56.2-37.2-174.3-174.3178.9-176.100112.8M311 L315 H316M311-E313 PolarHBondContact O-N 3.02Å; E313-L315 PolarHBondContact O-N 2.57Å; E313-H316 PolarHBondContact O-N 2.62Å; E313-H316 VanDerWaalsContact O-N 3.08Å
314H92.2Very high96.2Very high79 Ų7956.3 Ų56.337%0.36628%0.275SS..G310 helixtrans-62.3-15.7-17974.6-93.3000114.4P312 H316 Q354P312-H314 WeakPolarHBondContact CB-CE1 3.32Å; P312-H314 WeakPolarHBondContact CB-ND1 3.5Å; P312-H314 PolarHBondContact O-N 3.07Å; H314-H316 PolarHBondContact O-CD2 3.3Å; H314-Q354 PolarHBondContact CD2-NE2 3.05Å; H314-Q354 PolarHBondContact NE2-NE2 2.96Å; H314-Q354 VanDerWaalsContact NE2-NE2 3.17Å
315L94.9Very high96.3Very high2 Ų255.3 Ų55.31%0.0127%0.274CS..G310 helixtrans-83.5-16.6179.3-62.6168.9000112.5Y66 M311 P312 E313 F317 W329Y66-L315 HydrophobicContact CD1-CB 3.84Å; Y66-L315 HydrophobicContact CD1-CD1 4.19Å; Y66-L315 HydrophobicContact CD1-CD2 4.15Å; Y66-L315 HydrophobicContact CD1-CG 4.28Å; Y66-L315 HydrophobicContact CD2-CD2 4.29Å; Y66-L315 HydrophobicContact CE1-CD1 4.4Å; Y66-L315 HydrophobicContact CG-CB 4.19Å; Y66-L315 HydrophobicContact CG-CD2 3.77Å; Y66-L315 HydrophobicContact CG-CG 4.39Å; M311-L315 HydrophobicContact CE-CD1 3.71Å; P312-L315 HydrophobicContact CB-CD1 3.84Å; P312-L315 HydrophobicContact CB-CG 4.15Å; P312-L315 HydrophobicContact CG-CD1 3.85Å; P312-L315 WeakPolarHBondContact O-CB 3.11Å; P312-L315 PolarHBondContact O-N 3.02Å; E313-L315 PolarHBondContact O-N 2.57Å; L315-F317 HydrophobicContact CB-CB 4.39Å; L315-F317 PolarHBondContact O-N 3.08Å; L315-W329 HydrophobicContact CD1-CE3 4.49Å; L315-W329 HydrophobicContact CD1-CH2 3.26Å; L315-W329 HydrophobicContact CD1-CZ2 4.29Å; L315-W329 HydrophobicContact CD1-CZ3 3.39Å; L315-W329 HydrophobicContact CD2-CH2 3.79Å; L315-W329 HydrophobicContact CD2-CZ3 3.77Å; L315-W329 HydrophobicContact CG-CH2 4.11Å; L315-W329 HydrophobicContact CG-CZ3 4.21Å
316H97.3Very high96.3Very high50 Ų5054.9 Ų54.923%0.23127%0.271CS..  trans49.744.7-176.9-58.5-72.5000112.4Y82 E84 E313 H314Y82-H316 HydrophobicContact CD1-CB 3.92Å; Y82-H316 AromaticContact CD1-CD2 3.85Å; Y82-H316 HydrophobicContact CD2-CB 3.98Å; Y82-H316 AromaticContact CD2-CD2 3.94Å; Y82-H316 AromaticContact CD2-CG 3.69Å; Y82-H316 AromaticContact CE1-CD2 3.64Å; Y82-H316 AromaticContact CE2-CD2 3.71Å; Y82-H316 AromaticContact CE2-CG 3.91Å; Y82-H316 AromaticContact CE2-NE2 3.82Å; Y82-H316 HydrophobicContact CG-CB 3.58Å; Y82-H316 AromaticContact CG-CG 3.75Å; Y82-H316 AromaticContact CZ-CD2 3.56Å; Y82-H316 AromaticContact CZ-NE2 3.79Å; E84-H316 WeakPolarHBondContact CB-O 3.41Å; E84-H316 VanDerWaalsContact CD-O 3.24Å; E84-H316 HydrophobicContact CG-CB 4.46Å; E84-H316 WeakPolarHBondContact CG-O 3.26Å; E84-H316 PolarHBondContact N-O 2.69Å; E84-H316 IonicContact OE1-ND1 2.66Å; E313-H316 PolarHBondContact O-N 2.62Å; E313-H316 VanDerWaalsContact O-N 3.08Å; H314-H316 PolarHBondContact O-CD2 3.3Å
317F96.6Very high96.3Very high1 Ų152.3 Ų52.30%0.00426%0.261CS..  trans-137.456.1-175.6-163.1-96.6000111.7Y66 L67 I83 E84 I89 M311 L315 I323Y66-F317 HydrophobicContact CD1-CB 3.59Å; Y66-F317 HydrophobicContact CD1-CD1 4.21Å; Y66-F317 HydrophobicContact CD1-CD2 4.41Å; Y66-F317 AromaticContact CD1-CG 3.83Å; Y66-F317 HydrophobicContact CD1-CG 3.83Å; Y66-F317 HydrophobicContact CE1-CB 3.96Å; Y66-F317 AromaticContact CE1-CD1 3.73Å; Y66-F317 HydrophobicContact CE1-CD1 3.73Å; Y66-F317 HydrophobicContact CE1-CE1 4.41Å; Y66-F317 AromaticContact CE1-CG 3.84Å; Y66-F317 HydrophobicContact CE1-CG 3.84Å; L67-F317 HydrophobicContact CD1-CE1 3.94Å; L67-F317 HydrophobicContact CD1-CE2 3.67Å; L67-F317 HydrophobicContact CD1-CZ 3.3Å; L67-F317 HydrophobicContact CG-CD2 4.46Å; L67-F317 HydrophobicContact CG-CE1 4.29Å; L67-F317 HydrophobicContact CG-CE2 4Å; L67-F317 HydrophobicContact CG-CZ 3.92Å; I83-F317 HydrophobicContact CB-CD2 4.21Å; I83-F317 HydrophobicContact CG2-CD2 3.74Å; I83-F317 HydrophobicContact CG2-CE2 3.61Å; E84-F317 PolarHBondContact OE2-N 3.05Å; I89-F317 HydrophobicContact CB-CE2 4.09Å; I89-F317 HydrophobicContact CB-CZ 4.36Å; I89-F317 HydrophobicContact CG2-CE2 4.45Å; M311-F317 HydrophobicContact CE-CD1 4.36Å; L315-F317 HydrophobicContact CB-CB 4.39Å; L315-F317 PolarHBondContact O-N 3.08Å; F317-I323 HydrophobicContact CD1-CD1 3.97Å; F317-I323 HydrophobicContact CD2-CD1 4.09Å; F317-I323 HydrophobicContact CE1-CD1 4.01Å; F317-I323 HydrophobicContact CE1-CG1 4.08Å; F317-I323 HydrophobicContact CE1-CG2 4.09Å; F317-I323 HydrophobicContact CE2-CD1 4.13Å; F317-I323 HydrophobicContact CE2-CG1 4.37Å; F317-I323 HydrophobicContact CG-CD1 4Å; F317-I323 HydrophobicContact CZ-CD1 4.08Å; F317-I323 HydrophobicContact CZ-CG1 3.98Å
318S94.4Very high96.3Very high41 Ų4151 Ų5129%0.28726%0.255SS..SBendtrans-140.9-30.8175.665.30000112.8E84 K308 N320E84-S318 PolarHBondContact OE2-N 3.11Å; K308-S318 WeakPolarHBondContact CE-O 3.45Å; K308-S318 WeakPolarHBondContact O-CB 3.47Å; S318-N320 PolarHBondContact O-N 3.03Å; S318-N320 VanDerWaalsContact O-N 3.13Å
319N94.9Very high96.2Very high115 Ų11550.1 Ų50.162%0.61525%0.252SS*.SBendtrans-93.855-169.2-168.532.2000113E84E84-N319 HydrophobicContact CB-CB 4.48Å; E84-N319 HydrophobicContact CG-CB 4.34Å; E84-N319 WeakPolarHBondContact OE2-CB 3.35Å; E84-N319 PolarHBondContact OE2-N 3.13Å
320N97.3Very high96.3Very high30 Ų3043.3 Ų43.316%0.1622%0.22CC..  trans-147.2134.5173.7-167.5-77.9000112.1E84 G87 I89 K308 S318 R322 I323E84-N320 HydrophobicContact CB-CB 4.24Å; E84-N320 WeakPolarHBondContact O-CB 3.29Å; E84-N320 PolarHBondContact O-ND2 2.98Å; G87-N320 WeakPolarHBondContact CA-ND2 3.4Å; I89-N320 HydrophobicContact CG2-CB 4.4Å; K308-N320 WeakPolarHBondContact CE-O 3.37Å; K308-N320 PolarHBondContact NZ-O 2.95Å; S318-N320 PolarHBondContact O-N 3.03Å; S318-N320 VanDerWaalsContact O-N 3.13Å; N320-R322 PolarHBondContact O-N 2.71Å; N320-R322 VanDerWaalsContact O-N 3.11Å; N320-R322 VanDerWaalsContact OD1-CB 3.29Å; N320-R322 WeakPolarHBondContact OD1-CB 3.43Å; N320-R322 WeakPolarHBondContact OD1-CG 3.32Å; N320-R322 PolarHBondContact OD1-N 2.93Å; N320-I323 HydrophobicContact CB-CD1 3.97Å; N320-I323 HydrophobicContact CB-CG1 4.17Å; N320-I323 WeakPolarHBondContact O-CB 3.17Å; N320-I323 PolarHBondContact O-N 3.02Å
321D96.3Very high96.4Very high160 Ų16041.5 Ų41.586%0.85621%0.213SC*.THydrogen-bonded Turntrans-61.9-21.2-176.9-70.1-20.3000114.5I323D321-I323 VanDerWaalsContact C-N 3.34Å
322R97.8Very high96.5Very high62 Ų6242.6 Ų42.623%0.23422%0.221CC..THydrogen-bonded Turntrans-75.4-23.6177-62.9171.7176.9-175.8-3112.8G87 I89 F94 E112 W113 N320 L324G87-R322 VanDerWaalsContact O-CD 3.25Å; G87-R322 WeakPolarHBondContact O-CD 3.45Å; G87-R322 PolarHBondContact O-NH1 2.85Å; I89-R322 HydrophobicContact CD1-CB 3.41Å; I89-R322 VanDerWaalsContact CD1-CB 3.41Å; I89-R322 WeakPolarHBondContact CD1-O 3.46Å; I89-R322 HydrophobicContact CG1-CB 3.83Å; F94-R322 WeakPolarHBondContact CZ-O 3.37Å; E112-R322 PolarHBondContact O-NH2 3Å; W113-R322 PolarHBondContact O-NH1 2.75Å; N320-R322 PolarHBondContact O-N 2.71Å; N320-R322 VanDerWaalsContact O-N 3.11Å; N320-R322 VanDerWaalsContact OD1-CB 3.29Å; N320-R322 WeakPolarHBondContact OD1-CB 3.43Å; N320-R322 WeakPolarHBondContact OD1-CG 3.32Å; N320-R322 PolarHBondContact OD1-N 2.93Å; R322-L324 PolarHBondContact O-N 3Å
323I98.2Very high96.7Very high3 Ų341 Ų412%0.01521%0.211CC..SBendtrans-72.4127.2178.2-60.1170.5000108.4I89 M281 K308 F317 N320 D321 V327I89-I323 HydrophobicContact CD1-CG1 3.91Å; I89-I323 HydrophobicContact CG2-CG1 4.17Å; M281-I323 HydrophobicContact SD-CG2 4.37Å; K308-I323 HydrophobicContact CD-CB 4.32Å; K308-I323 HydrophobicContact CD-CG2 4.19Å; K308-I323 WeakPolarHBondContact CD-O 3.4Å; K308-I323 HydrophobicContact CG-CG2 4.01Å; K308-I323 PolarHBondContact NZ-O 2.95Å; F317-I323 HydrophobicContact CD1-CD1 3.97Å; F317-I323 HydrophobicContact CD2-CD1 4.09Å; F317-I323 HydrophobicContact CE1-CD1 4.01Å; F317-I323 HydrophobicContact CE1-CG1 4.08Å; F317-I323 HydrophobicContact CE1-CG2 4.09Å; F317-I323 HydrophobicContact CE2-CD1 4.13Å; F317-I323 HydrophobicContact CE2-CG1 4.37Å; F317-I323 HydrophobicContact CG-CD1 4Å; F317-I323 HydrophobicContact CZ-CD1 4.08Å; F317-I323 HydrophobicContact CZ-CG1 3.98Å; N320-I323 HydrophobicContact CB-CD1 3.97Å; N320-I323 HydrophobicContact CB-CG1 4.17Å; N320-I323 WeakPolarHBondContact O-CB 3.17Å; N320-I323 PolarHBondContact O-N 3.02Å; D321-I323 VanDerWaalsContact C-N 3.34Å; I323-V327 HydrophobicContact CG2-CG2 3.79Å
324L98.4Very high96.9Very high9 Ų934.3 Ų34.35%0.04718%0.179CC..  trans-78.9160.1-175.2-50.8-174.3000112F94 T96 F271 M281 L282 L283 R322 I326F94-L324 HydrophobicContact CE2-CD2 4.04Å; F94-L324 HydrophobicContact CZ-CD2 4.47Å; T96-L324 HydrophobicContact CG2-CD2 3.72Å; F271-L324 HydrophobicContact CD1-CD1 3.58Å; F271-L324 HydrophobicContact CE1-CD1 3.92Å; M281-L324 HydrophobicContact CB-CB 3.97Å; M281-L324 HydrophobicContact CB-CD1 3.71Å; M281-L324 HydrophobicContact CB-CG 3.86Å; M281-L324 HydrophobicContact SD-CG 4.3Å; L282-L324 WeakPolarHBondContact O-CB 3.33Å; L283-L324 HydrophobicContact CB-CD1 4.23Å; R322-L324 PolarHBondContact O-N 3Å; L324-I326 VanDerWaalsContact C-N 3.25Å; L324-I326 PolarHBondContact O-N 3.47Å; L324-I326 VanDerWaalsContact O-N 3.14Å
325P98.6Very high97.2Very high33 Ų3331 Ų3121%0.21416%0.164CC..SBendtrans-59.6-27.6-172.7-28.336.6000115.7L283 L289 K307 K308L283-P325 HydrophobicContact CD1-CG 3.78Å; L289-P325 HydrophobicContact CD1-CB 3.91Å; K307-P325 CarbonylContact C-O 3.49Å; K307-P325 WeakPolarHBondContact CA-O 3.36Å; K308-P325 PolarHBondContact N-O 2.9Å
326I98.7Very high97.3Very high0 Ų030.9 Ų30.90%016%0.164CC..EExtended strand (participates in β ladder)trans-120.2124.4175.8-61.2177.8000108.3M281 L282 P284 I292 V305 Y306 L324 L328M281-I326 CarbonylContact C-O 3.37Å; M281-I326 WeakPolarHBondContact CA-O 3.48Å; L282-I326 HydrophobicContact CB-CB 4.19Å; L282-I326 PolarHBondContact N-O 3.49Å; L282-I326 PolarHBondContact O-N 2.81Å; P284-I326 HydrophobicContact CG-CD1 3.75Å; P284-I326 HydrophobicContact CG-CG1 4.19Å; I292-I326 HydrophobicContact CB-CD1 3.9Å; I292-I326 HydrophobicContact CG2-CD1 3.55Å; V305-I326 HydrophobicContact CG1-CG2 3.74Å; Y306-I326 WeakPolarHBondContact O-CA 3.49Å; L324-I326 VanDerWaalsContact C-N 3.25Å; L324-I326 PolarHBondContact O-N 3.47Å; L324-I326 VanDerWaalsContact O-N 3.14Å; I326-L328 HydrophobicContact CG2-CD1 4.21Å; I326-L328 HydrophobicContact CG2-CG 4.42Å
327V98.4Very high97.3Very high3 Ų328.5 Ų28.52%0.01815%0.153CC..EExtended strand (participates in β ladder)trans-111.4136.8174.5-177.10000108.1M281 Y306 M311 I323M281-V327 HydrophobicContact CG-CG2 4.4Å; Y306-V327 PolarHBondContact N-O 3.33Å; Y306-V327 PolarHBondContact O-N 3.25Å; M311-V327 HydrophobicContact CE-CG1 4.18Å; M311-V327 HydrophobicContact CG-CG2 4.5Å; M311-V327 HydrophobicContact SD-CB 3.82Å; M311-V327 HydrophobicContact SD-CG1 3.91Å; M311-V327 HydrophobicContact SD-CG2 4.34Å; I323-V327 HydrophobicContact CG2-CG2 3.79Å
328L97.8Very high97.3Very high0 Ų028.5 Ų28.50%015%0.153CC..EExtended strand (participates in β ladder)trans-122140.7176.8-5296.9000108.3L258 L274 S279 G280 L282 L296 L303 H304 V305 I326 L336L258-L328 HydrophobicContact CD1-CD2 4.13Å; L258-L328 HydrophobicContact CD2-CD2 4.25Å; L274-L328 HydrophobicContact CD2-CD1 4.44Å; S279-L328 CarbonylContact C-O 3.57Å; S279-L328 WeakPolarHBondContact CA-O 3.48Å; G280-L328 PolarHBondContact N-O 3.21Å; G280-L328 PolarHBondContact O-N 2.77Å; L282-L328 HydrophobicContact CD1-CD1 3.86Å; L282-L328 HydrophobicContact CG-CD1 3.72Å; L296-L328 HydrophobicContact CD1-CD2 3.97Å; L303-L328 HydrophobicContact CD1-CB 4.22Å; L303-L328 HydrophobicContact CD1-CD2 4.16Å; H304-L328 WeakPolarHBondContact O-CA 3.4Å; V305-L328 HydrophobicContact CG2-CD2 4.21Å; I326-L328 HydrophobicContact CG2-CD1 4.21Å; I326-L328 HydrophobicContact CG2-CG 4.42Å; L328-L336 HydrophobicContact CB-CD2 3.75Å; L328-L336 HydrophobicContact CD1-CD2 4.44Å; L328-L336 HydrophobicContact CD2-CD1 4.47Å; L328-L336 HydrophobicContact CD2-CD2 4.36Å; L328-L336 HydrophobicContact CG-CD2 4.41Å
329W94.5Very high97.4Very high14 Ų1432.8 Ų32.85%0.05316%0.164CC..EExtended strand (participates in β ladder)trans-138.9169.5162.770.318.6000110Y66 P278 H304 Y306 L315 D352Y66-W329 HydrophobicContact CD1-CZ3 4.35Å; Y66-W329 HydrophobicContact CD2-CE3 4.03Å; Y66-W329 AromaticContact CD2-CZ3 3.73Å; Y66-W329 HydrophobicContact CD2-CZ3 3.73Å; Y66-W329 HydrophobicContact CE1-CE3 4.07Å; Y66-W329 HydrophobicContact CE1-CZ3 4.03Å; Y66-W329 HydrophobicContact CE2-CD2 4.47Å; Y66-W329 AromaticContact CE2-CE3 3.2Å; Y66-W329 HydrophobicContact CE2-CE3 3.2Å; Y66-W329 AromaticContact CE2-CZ3 3.39Å; Y66-W329 HydrophobicContact CE2-CZ3 3.39Å; Y66-W329 HydrophobicContact CG-CZ3 4.21Å; Y66-W329 AromaticContact CZ-CE3 3.19Å; Y66-W329 AromaticContact CZ-CZ3 3.53Å; P278-W329 CarbonylContact O-C 3.56Å; P278-W329 VanDerWaalsContact O-CA 3.23Å; P278-W329 WeakPolarHBondContact O-CA 3.26Å; H304-W329 VanDerWaalsContact CB-NE1 3.31Å; H304-W329 AromaticContact CD2-CD1 3.32Å; H304-W329 AromaticContact CD2-NE1 3.18Å; H304-W329 PolarHBondContact CD2-NE1 3.37Å; H304-W329 AromaticContact CG-CD1 3.65Å; H304-W329 AromaticContact CG-NE1 3.37Å; H304-W329 PolarHBondContact N-O 2.97Å; H304-W329 PolarHBondContact O-N 2.98Å; H304-W329 VanDerWaalsContact O-N 3.07Å; Y306-W329 HydrophobicContact CE2-CZ2 4.37Å; Y306-W329 AromaticContact CE2-NE1 3.88Å; L315-W329 HydrophobicContact CD1-CE3 4.49Å; L315-W329 HydrophobicContact CD1-CH2 3.26Å; L315-W329 HydrophobicContact CD1-CZ2 4.29Å; L315-W329 HydrophobicContact CD1-CZ3 3.39Å; L315-W329 HydrophobicContact CD2-CH2 3.79Å; L315-W329 HydrophobicContact CD2-CZ3 3.77Å; L315-W329 HydrophobicContact CG-CH2 4.11Å; L315-W329 HydrophobicContact CG-CZ3 4.21Å; W329-D352 HydrophobicContact CH2-CB 3.95Å; W329-D352 WeakPolarHBondContact CH2-OD2 3.23Å; W329-D352 HydrophobicContact CZ2-CB 4.46Å; W329-D352 HydrophobicContact CZ3-CB 4.03Å
330T97.4Very high97.5Very high4 Ų432.9 Ų32.93%0.02516%0.163CC..EExtended strand (participates in β ladder)trans-124.3157.917865.20000111.3I256 P278 N302 L303 F334 L336 F351I256-T330 HydrophobicContact CD1-CG2 3.43Å; I256-T330 VanDerWaalsContact CD1-CG2 3.43Å; P278-T330 WeakPolarHBondContact CA-OG1 3.32Å; P278-T330 WeakPolarHBondContact CB-OG1 3.17Å; P278-T330 PolarHBondContact O-N 2.84Å; P278-T330 PolarHBondContact O-OG1 3.42Å; N302-T330 WeakPolarHBondContact O-CA 3.25Å; N302-T330 WeakPolarHBondContact O-CB 3.47Å; L303-T330 HydrophobicContact CD1-CG2 4.14Å; T330-F334 PolarHBondContact OG1-O 2.79Å; T330-L336 HydrophobicContact CG2-CB 4.3Å; T330-L336 HydrophobicContact CG2-CD1 4.48Å; T330-F351 WeakPolarHBondContact O-CD1 3.49Å
331D97.6Very high97.3Very high51 Ų5133.4 Ų33.427%0.27317%0.168SC..  trans-63.1154.6170.9-70.1-31.6000111.2N302 H304 G333 F334 F351N302-D331 WeakPolarHBondContact CA-OD2 3.17Å; N302-D331 HydrophobicContact CB-CB 4.08Å; N302-D331 PolarHBondContact O-N 3.44Å; N302-D331 VanDerWaalsContact O-N 3.07Å; N302-D331 PolarHBondContact OD1-OD2 3.32Å; H304-D331 IonicContact CD2-OD1 3.78Å; H304-D331 IonicContact CE1-OD1 3.6Å; H304-D331 IonicContact NE2-OD1 3.43Å; H304-D331 PolarHBondContact NE2-OD1 3.26Å; H304-D331 IonicContact NE2-OD2 3.91Å; D331-G333 PolarHBondContact O-N 3.39Å; D331-F334 PolarHBondContact O-N 3.04Å; D331-F334 VanDerWaalsContact O-N 3.14Å; D331-F351 VanDerWaalsContact O-CE1 3.32Å; D331-F351 WeakPolarHBondContact O-CE1 3.45Å
332P97.6Very high97.2Very high34 Ų3429.5 Ų29.522%0.22115%0.15CC..THydrogen-bonded Turntrans-45.7133.9176.2-3237.6000113.7T245 F248 F351 E355T245-P332 HydrophobicContact CG2-CB 4.48Å; F248-P332 WeakPolarHBondContact CE2-O 3.41Å; P332-F351 VanDerWaalsContact CA-CE1 3.49Å; P332-F351 HydrophobicContact CG-CD1 4.46Å; P332-E355 HydrophobicContact CG-CB 4.49Å; P332-E355 VanDerWaalsContact CG-CD 3.48Å; P332-E355 HydrophobicContact CG-CG 3.63Å
333G97.4Very high97.2Very high0 Ų027.5 Ų27.50%014%0.143CC..THydrogen-bonded Turntrans86.6-3.4179.900000115.6T246 F248 D331T246-G333 WeakPolarHBondContact O-CA 3.2Å; F248-G333 PolarHBondContact N-O 3.4Å; D331-G333 PolarHBondContact O-N 3.39Å
334F98.3Very high97.1Very high29 Ų2935 Ų3513%0.12718%0.176CC..  trans-105.9155.8170.5-66.4-94.7000111.4F248 V253 I256 N302 T330 D331 F351F248-F334 HydrophobicContact CD2-CD2 4.29Å; F248-F334 AromaticContact CD2-CE2 3.84Å; F248-F334 HydrophobicContact CD2-CE2 3.84Å; F248-F334 HydrophobicContact CD2-CZ 4.26Å; F248-F334 HydrophobicContact CE2-CE2 4.25Å; V253-F334 HydrophobicContact CG1-CD1 4.42Å; V253-F334 HydrophobicContact CG1-CE1 3.8Å; V253-F334 HydrophobicContact CG1-CZ 4.47Å; I256-F334 HydrophobicContact CD1-CB 3.94Å; I256-F334 HydrophobicContact CD1-CD1 4.3Å; I256-F334 HydrophobicContact CD1-CG 4.35Å; I256-F334 HydrophobicContact CG1-CD1 4.48Å; N302-F334 HydrophobicContact CB-CD1 4.36Å; N302-F334 HydrophobicContact CB-CD2 3.8Å; N302-F334 HydrophobicContact CB-CE2 4Å; N302-F334 HydrophobicContact CB-CG 4.01Å; N302-F334 HydrophobicContact CB-CZ 4.37Å; N302-F334 WeakPolarHBondContact ND2-CE2 3.42Å; N302-F334 WeakPolarHBondContact ND2-CZ 3.42Å; T330-F334 PolarHBondContact OG1-O 2.79Å; D331-F334 PolarHBondContact O-N 3.04Å; D331-F334 VanDerWaalsContact O-N 3.14Å; F334-F351 VanDerWaalsContact O-CE1 3.28Å; F334-F351 WeakPolarHBondContact O-CE1 3.21Å; F334-F351 WeakPolarHBondContact O-CZ 3.38Å
335V98Very high97.1Very high9 Ų937.8 Ų37.86%0.05519%0.191CC..  trans-129.7154173.2-62.90000110.3I247 N337 Q343 E348I247-V335 HydrophobicContact CD1-CG1 3.6Å; I247-V335 HydrophobicContact CG1-CG1 3.96Å; I247-V335 HydrophobicContact CG2-CG1 4.23Å; V335-N337 PolarHBondContact O-ND2 3.3Å; V335-Q343 HydrophobicContact CG2-CB 4.26Å; V335-E348 HydrophobicContact CG1-CG 4.26Å
336L97.3Very high97Very high0 Ų041.7 Ų41.70%021%0.205CC..  trans-94.3112.2-175.7-17366.7000111.6I256 L258 L274 D275 G277 L303 L328 T330 Q343I256-L336 HydrophobicContact CG2-CD1 3.78Å; L258-L336 HydrophobicContact CD1-CD1 4.33Å; L258-L336 HydrophobicContact CD2-CD1 3.84Å; L258-L336 HydrophobicContact CG-CD1 4.06Å; L274-L336 HydrophobicContact CD2-CD2 3.43Å; L274-L336 VanDerWaalsContact CD2-CD2 3.43Å; L274-L336 HydrophobicContact CD2-CG 4.05Å; D275-L336 PolarHBondContact N-O 3.26Å; G277-L336 PolarHBondContact O-N 3.36Å; L303-L336 HydrophobicContact CD1-CD1 3.79Å; L328-L336 HydrophobicContact CB-CD2 3.75Å; L328-L336 HydrophobicContact CD1-CD2 4.44Å; L328-L336 HydrophobicContact CD2-CD1 4.47Å; L328-L336 HydrophobicContact CD2-CD2 4.36Å; L328-L336 HydrophobicContact CG-CD2 4.41Å; T330-L336 HydrophobicContact CG2-CB 4.3Å; T330-L336 HydrophobicContact CG2-CD1 4.48Å; L336-Q343 PolarHBondContact O-NE2 2.97Å
337N97.6Very high97Very high1 Ų141.7 Ų41.71%0.00521%0.205CC..BIsolated β-bridgetrans-104.5137.4177.3-52.8-83.2000111.2I256 V257 L258 D275 V335 P341I256-N337 WeakPolarHBondContact O-CB 3.28Å; I256-N337 PolarHBondContact O-N 3.26Å; I256-N337 PolarHBondContact O-ND2 2.7Å; I256-N337 VanDerWaalsContact O-ND2 3.15Å; V257-N337 WeakPolarHBondContact CA-O 3.3Å; V257-N337 HydrophobicContact CG2-CB 4.26Å; L258-N337 PolarHBondContact N-O 3.47Å; D275-N337 WeakPolarHBondContact OD1-CA 3.41Å; V335-N337 PolarHBondContact O-ND2 3.3Å; N337-P341 WeakPolarHBondContact OD1-CA 3Å
338G97.6Very high97.1Very high0 Ų042.2 Ų42.20%021%0.207CC..SBendtrans-78.3-87178.800000112.2L258 S259 F266 D275L258-G338 PolarHBondContact N-O 2.6Å; S259-G338 PolarHBondContact N-O 3.18Å; F266-G338 WeakPolarHBondContact CE2-O 3.22Å; D275-G338 PolarHBondContact OD1-N 3.43Å
339Y96.4Very high97.1Very high132 Ų13242.7 Ų42.752%0.51821%0.209SC..SBendtrans-86.2-44.5-177.7-76.9-88000113.1V257 S259 F266V257-Y339 WeakPolarHBondContact CG1-O 3.19Å; S259-Y339 PolarHBondContact OG-O 3.14Å; F266-Y339 HydrophobicContact CB-CE1 4.28Å; F266-Y339 HydrophobicContact CB-CE2 4.49Å; F266-Y339 WeakPolarHBondContact CB-OH 3.12Å; F266-Y339 HydrophobicContact CD1-CE2 4.35Å; F266-Y339 AromaticContact CD2-CD1 3.81Å; F266-Y339 HydrophobicContact CD2-CD1 3.81Å; F266-Y339 HydrophobicContact CD2-CD2 4.14Å; F266-Y339 AromaticContact CD2-CE1 3.34Å; F266-Y339 HydrophobicContact CD2-CE1 3.34Å; F266-Y339 AromaticContact CD2-CE2 3.7Å; F266-Y339 HydrophobicContact CD2-CE2 3.7Å; F266-Y339 HydrophobicContact CD2-CG 4.2Å; F266-Y339 AromaticContact CD2-CZ 3.28Å; F266-Y339 AromaticContact CE2-CD1 3.93Å; F266-Y339 HydrophobicContact CE2-CD1 3.93Å; F266-Y339 AromaticContact CE2-CD2 3.9Å; F266-Y339 HydrophobicContact CE2-CD2 3.9Å; F266-Y339 AromaticContact CE2-CE1 3.93Å; F266-Y339 HydrophobicContact CE2-CE1 3.93Å; F266-Y339 AromaticContact CE2-CE2 3.89Å; F266-Y339 HydrophobicContact CE2-CE2 3.89Å; F266-Y339 AromaticContact CE2-CG 3.93Å; F266-Y339 HydrophobicContact CE2-CG 3.93Å; F266-Y339 AromaticContact CE2-CZ 3.91Å; F266-Y339 HydrophobicContact CG-CE1 4.04Å; F266-Y339 AromaticContact CG-CE2 3.93Å; F266-Y339 HydrophobicContact CG-CE2 3.93Å; F266-Y339 AromaticContact CG-CZ 3.54Å; F266-Y339 WeakPolarHBondContact CG-OH 3.42Å; F266-Y339 HydrophobicContact CZ-CD2 4.33Å; F266-Y339 HydrophobicContact CZ-CE2 4.32Å
340L95.4Very high97.3Very high117 Ų11742 Ų4261%0.61321%0.207SC*.SBendtrans-145.1155.1-174.8-65.1171.5000108.3V342L340-V342 HydrophobicContact CB-CG1 4.49Å; L340-V342 PolarHBondContact O-N 3.37Å; L340-V342 VanDerWaalsContact O-N 3.13Å
341P94Very high97.3Very high40 Ų4042 Ų4226%0.2621%0.206SC..  trans-63.6111.7170.5-17.430.7000110.7E255 V257 N337E255-P341 WeakPolarHBondContact OE2-CB 3.36Å; E255-P341 WeakPolarHBondContact OE2-CG 3.32Å; V257-P341 HydrophobicContact CG2-CG 4Å; N337-P341 WeakPolarHBondContact OD1-CA 3Å
342V94.8Very high97.2Very high79 Ų7941 Ų4148%0.47920%0.201SC..  trans-124.7-1.5-178.7-65.10000113.4D275 L340 F344D275-V342 HydrophobicContact CB-CG2 3.77Å; L340-V342 HydrophobicContact CB-CG1 4.49Å; L340-V342 PolarHBondContact O-N 3.37Å; L340-V342 VanDerWaalsContact O-N 3.13Å; V342-F344 WeakPolarHBondContact O-CD2 2.98Å; V342-F344 WeakPolarHBondContact O-CE2 3.27Å
343Q96.4Very high97.2Very high19 Ų1939.7 Ų39.79%0.08919%0.192CC..  trans-95.7135.2177.6-54.4-169.759.800109R249 G277 V335 L336R249-Q343 PolarHBondContact NH2-O 3.12Å; G277-Q343 VanDerWaalsContact CA-OE1 3.3Å; G277-Q343 PolarHBondContact O-NE2 2.82Å; V335-Q343 HydrophobicContact CG2-CB 4.26Å; L336-Q343 PolarHBondContact O-NE2 2.97Å
344F96.3Very high97.1Very high162 Ų16245.2 Ų45.271%0.71122%0.218SC*.  trans-132.55.9-174.6-55.4-73.9000114.1V342V342-F344 WeakPolarHBondContact O-CD2 2.98Å; V342-F344 WeakPolarHBondContact O-CE2 3.27Å
345N97.9Very high97.1Very high66 Ų6647.5 Ų47.535%0.35323%0.229SC..  trans-61.2142.8175.1-68.3-12000110H198 G347H198-N345 HydrophobicContact CB-CB 4.36Å; H198-N345 PolarHBondContact ND1-ND2 3.23Å; H198-N345 CarbonylContact O-C 3.57Å; H198-N345 WeakPolarHBondContact O-CA 3.32Å; N345-G347 VanDerWaalsContact CB-O 3.29Å; N345-G347 WeakPolarHBondContact CB-O 3.33Å
346K98.4Very high97.1Very high116 Ų11650.3 Ų50.350%0.50424%0.243SC..SBendtrans-87.6-25.7175-67.7-173.9-179.1179.40111.9H198 K199 Y200 T246 I247H198-K346 PolarHBondContact O-N 2.82Å; K199-K346 WeakPolarHBondContact O-CD 3.34Å; Y200-K346 WeakPolarHBondContact O-CD 3.01Å; T246-K346 WeakPolarHBondContact CA-O 3.45Å; I247-K346 PolarHBondContact N-O 3.41Å
347G98.7Very high97.2Very high0 Ų052.6 Ų52.60%026%0.255CS..EExtended strand (participates in β ladder)trans-118.1145.7168.900000111G197 H198 T245 N345G197-G347 PolarHBondContact O-N 3.3Å; H198-G347 WeakPolarHBondContact CA-O 3.16Å; H198-G347 PolarHBondContact ND1-O 3.11Å; H198-G347 PolarHBondContact O-N 3.47Å; T245-G347 CarbonylContact O-C 3.6Å; T245-G347 WeakPolarHBondContact O-CA 3.41Å; N345-G347 VanDerWaalsContact CB-O 3.29Å; N345-G347 WeakPolarHBondContact CB-O 3.33Å
348E98.6Very high97.2Very high14 Ų1452.7 Ų52.77%0.06526%0.255CS..EExtended strand (participates in β ladder)trans-142.2163.6168.3-109.7-64.6-157.600111.8H198 M244 T245 I247 G277 V335 F351H198-E348 IonicContact CE1-OE2 2.97Å; H198-E348 PolarHBondContact CE1-OE2 2.87Å; H198-E348 IonicContact ND1-OE2 2.71Å; M244-E348 WeakPolarHBondContact SD-CA 3.42Å; M244-E348 PolarHBondContact SD-N 3.27Å; T245-E348 PolarHBondContact N-O 3.07Å; T245-E348 PolarHBondContact O-N 3.14Å; I247-E348 HydrophobicContact CD1-CB 3.65Å; I247-E348 HydrophobicContact CG1-CB 3.75Å; I247-E348 HydrophobicContact CG1-CG 4.38Å; G277-E348 WeakPolarHBondContact CA-OE1 3.4Å; G277-E348 PolarHBondContact N-OE1 3.4Å; V335-E348 HydrophobicContact CG1-CG 4.26Å; E348-F351 HydrophobicContact CB-CE2 4.12Å; E348-F351 HydrophobicContact CB-CZ 4.47Å
349H98.7Very high97.3Very high9 Ų953.2 Ų53.24%0.04226%0.257CS..  trans-129.3-176.9172.364.287.2000109.1T68 D194 H198 H242 P278 M358T68-H349 PolarHBondContact O-ND1 3.23Å; D194-H349 IonicContact OD1-CD2 2.78Å; D194-H349 IonicContact OD1-NE2 3.86Å; H198-H349 AromaticContact CE1-CD2 3.35Å; H198-H349 PolarHBondContact CE1-CD2 3.24Å; H198-H349 AromaticContact CE1-NE2 3.52Å; H198-H349 AromaticContact NE2-CD2 3.59Å; H198-H349 AromaticContact NE2-NE2 3.39Å; H198-H349 PolarHBondContact NE2-NE2 3.22Å; H242-H349 AromaticContact CD2-CE1 3.97Å; H242-H349 AromaticContact CD2-ND1 3.63Å; H242-H349 AromaticContact CE1-CD2 3.28Å; H242-H349 PolarHBondContact CE1-CD2 2.82Å; H242-H349 AromaticContact CE1-CE1 3.45Å; H242-H349 PolarHBondContact CE1-CE1 2.98Å; H242-H349 VanDerWaalsContact CE1-CE1 3.45Å; H242-H349 AromaticContact CE1-CG 3.3Å; H242-H349 AromaticContact CE1-ND1 3.41Å; H242-H349 PolarHBondContact CE1-ND1 2.81Å; H242-H349 AromaticContact CE1-NE2 3.43Å; H242-H349 PolarHBondContact CE1-NE2 3.31Å; H242-H349 AromaticContact CG-CG 3.97Å; H242-H349 AromaticContact CG-ND1 3.9Å; H242-H349 AromaticContact ND1-CD2 3.79Å; H242-H349 AromaticContact ND1-CG 3.44Å; H242-H349 AromaticContact ND1-ND1 3.75Å; H242-H349 AromaticContact NE2-CD2 3.85Å; H242-H349 AromaticContact NE2-CE1 3.18Å; H242-H349 PolarHBondContact NE2-CE1 3.11Å; H242-H349 AromaticContact NE2-CG 3.68Å; H242-H349 AromaticContact NE2-ND1 3.25Å; H242-H349 PolarHBondContact NE2-ND1 3.5Å; H242-H349 AromaticContact NE2-NE2 3.59Å; P278-H349 WeakPolarHBondContact CD-O 3.36Å; P278-H349 WeakPolarHBondContact CG-O 3.18Å; H349-M358 HydrophobicContact CB-CE 4.28Å; H349-M358 HydrophobicContact CB-SD 3.94Å
350G97.9Very high97.4Very high1 Ų146.9 Ų46.91%0.0123%0.233CC..  trans97.68.3-178.600000114.4T68 P278 S279T68-G350 WeakPolarHBondContact O-CA 3.26Å; T68-G350 PolarHBondContact O-N 3.48Å; T68-G350 WeakPolarHBondContact OG1-CA 3.39Å; T68-G350 PolarHBondContact OG1-N 2.74Å; P278-G350 VanDerWaalsContact CG-C 3.43Å; S279-G350 PolarHBondContact OG-O 2.97Å
351F97.7Very high97.6Very high2 Ų241.6 Ų41.61%0.00921%0.205CC..SBendtrans-75-176.9175.2-60.1-85.7000111.5Y66 T68 T245 I247 P278 T330 D331 P332 F334 E348 N353 M358Y66-F351 WeakPolarHBondContact CD2-O 3.43Å; T68-F351 PolarHBondContact OG1-N 2.97Å; T68-F351 PolarHBondContact OG1-O 3.15Å; T245-F351 HydrophobicContact CG2-CD2 3.62Å; T245-F351 HydrophobicContact CG2-CE2 3.17Å; T245-F351 HydrophobicContact CG2-CG 4.48Å; T245-F351 HydrophobicContact CG2-CZ 3.69Å; I247-F351 HydrophobicContact CD1-CE2 4.46Å; I247-F351 HydrophobicContact CD1-CZ 3.83Å; P278-F351 HydrophobicContact CB-CD1 3.52Å; P278-F351 HydrophobicContact CB-CE1 3.25Å; P278-F351 HydrophobicContact CB-CE2 4.26Å; P278-F351 HydrophobicContact CB-CG 4.16Å; P278-F351 HydrophobicContact CB-CZ 3.66Å; P278-F351 HydrophobicContact CG-CD1 3.76Å; P278-F351 HydrophobicContact CG-CD2 3.94Å; P278-F351 HydrophobicContact CG-CE1 3.76Å; P278-F351 HydrophobicContact CG-CE2 3.89Å; P278-F351 HydrophobicContact CG-CG 3.87Å; P278-F351 HydrophobicContact CG-CZ 3.82Å; T330-F351 WeakPolarHBondContact O-CD1 3.49Å; D331-F351 VanDerWaalsContact O-CE1 3.32Å; D331-F351 WeakPolarHBondContact O-CE1 3.45Å; P332-F351 VanDerWaalsContact CA-CE1 3.49Å; P332-F351 HydrophobicContact CG-CD1 4.46Å; F334-F351 VanDerWaalsContact O-CE1 3.28Å; F334-F351 WeakPolarHBondContact O-CE1 3.21Å; F334-F351 WeakPolarHBondContact O-CZ 3.38Å; E348-F351 HydrophobicContact CB-CE2 4.12Å; E348-F351 HydrophobicContact CB-CZ 4.47Å; F351-N353 PolarHBondContact O-N 2.95Å; F351-M358 HydrophobicContact CB-CG 3.92Å; F351-M358 HydrophobicContact CB-SD 4.01Å; F351-M358 HydrophobicContact CD2-CE 3.81Å; F351-M358 HydrophobicContact CD2-SD 3.79Å; F351-M358 HydrophobicContact CG-SD 4.4Å
352D95.9Very high97.8Very high31 Ų3139.7 Ų39.717%0.16619%0.193CC..  trans-53.1131.4171.8-172.3-28.3000110.2W329 Q354 E355W329-D352 HydrophobicContact CH2-CB 3.95Å; W329-D352 WeakPolarHBondContact CH2-OD2 3.23Å; W329-D352 HydrophobicContact CZ2-CB 4.46Å; W329-D352 HydrophobicContact CZ3-CB 4.03Å; D352-Q354 PolarHBondContact O-N 2.93Å; D352-Q354 WeakPolarHBondContact OD1-CB 3.26Å; D352-Q354 WeakPolarHBondContact OD1-CG 3.31Å; D352-Q354 PolarHBondContact OD1-N 3.17Å; D352-E355 HydrophobicContact CB-CG 4.2Å; D352-E355 WeakPolarHBondContact O-CB 3.36Å; D352-E355 PolarHBondContact O-N 3.17Å; D352-E355 VanDerWaalsContact O-N 3.16Å
353N96.9Very high98Very high7 Ų736.2 Ų36.24%0.03717%0.171CC..THydrogen-bonded Turntrans-70.9-9-178.470.1-19.3000113.1P64 Y66 T68 F351 E355 K359P64-N353 HydrophobicContact CG-CB 4.38Å; P64-N353 VanDerWaalsContact O-CB 3.3Å; P64-N353 WeakPolarHBondContact O-CB 3.33Å; P64-N353 PolarHBondContact O-ND2 3.07Å; Y66-N353 PolarHBondContact N-ND2 3.5Å; T68-N353 HydrophobicContact CG2-CB 3.57Å; F351-N353 PolarHBondContact O-N 2.95Å; N353-E355 VanDerWaalsContact C-N 3.34Å; N353-K359 WeakPolarHBondContact O-CE 3.49Å; N353-K359 PolarHBondContact O-NZ 3.41Å
354Q96.5Very high98.1Very high116 Ų11635.3 Ų35.354%0.54217%0.166SC..THydrogen-bonded Turntrans-74.4-23.1170.8-64.2-166.36.500113.2H314 D352 M356 K359H314-Q354 PolarHBondContact CD2-NE2 3.05Å; H314-Q354 PolarHBondContact NE2-NE2 2.96Å; H314-Q354 VanDerWaalsContact NE2-NE2 3.17Å; D352-Q354 PolarHBondContact O-N 2.93Å; D352-Q354 WeakPolarHBondContact OD1-CB 3.26Å; D352-Q354 WeakPolarHBondContact OD1-CG 3.31Å; D352-Q354 PolarHBondContact OD1-N 3.17Å; Q354-M356 PolarHBondContact O-N 3.15Å; Q354-K359 VanDerWaalsContact O-CE 3.31Å; Q354-K359 WeakPolarHBondContact O-CE 3.38Å; Q354-K359 PolarHBondContact O-NZ 3.07Å
355E97.8Very high98.2Very high76 Ų7628.5 Ų28.536%0.35514%0.138SC..SBendtrans-63133.9-178.5-66.5-64.5162.700111.7P332 D352 N353 D357 M358 K359P332-E355 HydrophobicContact CG-CB 4.49Å; P332-E355 VanDerWaalsContact CG-CD 3.48Å; P332-E355 HydrophobicContact CG-CG 3.63Å; D352-E355 HydrophobicContact CB-CG 4.2Å; D352-E355 WeakPolarHBondContact O-CB 3.36Å; D352-E355 PolarHBondContact O-N 3.17Å; D352-E355 VanDerWaalsContact O-N 3.16Å; N353-E355 VanDerWaalsContact C-N 3.34Å; E355-D357 PolarHBondContact O-N 3.34Å; E355-M358 HydrophobicContact CB-CB 4.42Å; E355-M358 HydrophobicContact CB-CG 4.05Å; E355-M358 PolarHBondContact O-N 3.39Å; E355-K359 WeakPolarHBondContact O-CE 3.25Å
356M98.6Very high98.2Very high69 Ų6926.4 Ų26.434%0.3413%0.132SC..G310 helixtrans-62.5-33.1-178.9-76.2-55.9-53.300111.9W38 Y61 Q354 M358 K359W38-M356 HydrophobicContact CD2-CE 3.91Å; W38-M356 VanDerWaalsContact CE2-CE 3.45Å; W38-M356 HydrophobicContact CE3-CE 4.3Å; W38-M356 HydrophobicContact CG-CE 4.49Å; W38-M356 HydrophobicContact CH2-CE 3.92Å; W38-M356 HydrophobicContact CZ2-CE 3.53Å; W38-M356 HydrophobicContact CZ3-CE 4.24Å; W38-M356 PolarHBondContact NE1-O 3.35Å; W38-M356 VanDerWaalsContact NE1-O 3.13Å; Y61-M356 HydrophobicContact CD1-CE 3.88Å; Y61-M356 HydrophobicContact CE1-CE 3.83Å; Y61-M356 HydrophobicContact CE1-SD 4.29Å; Y61-M356 HydrophobicContact CG-CE 4.34Å; Q354-M356 PolarHBondContact O-N 3.15Å; M356-M358 PolarHBondContact O-N 3.16Å; M356-K359 HydrophobicContact CE-CG 4.15Å; M356-K359 WeakPolarHBondContact O-CG 3.04Å; M356-K359 PolarHBondContact O-N 3.28Å; M356-K359 HydrophobicContact SD-CG 4.16Å
357D98.8Very high98.2Very high48 Ų4823.2 Ų23.226%0.25712%0.123SC..G310 helixtrans-67.5-20.5177.9-83.54.6000113R37 G243 M244 T245 E355R37-D357 WeakPolarHBondContact CD-O 3.31Å; R37-D357 WeakPolarHBondContact CG-O 3.28Å; R37-D357 IonicContact CZ-OD1 3.34Å; R37-D357 IonicContact NH1-OD1 3.58Å; R37-D357 IonicContact NH1-OD2 3.84Å; G243-D357 CarbonylContact C-O 3.47Å; G243-D357 WeakPolarHBondContact CA-O 3.34Å; M244-D357 PolarHBondContact N-O 3.09Å; T245-D357 VanDerWaalsContact CB-OD2 3.25Å; T245-D357 WeakPolarHBondContact CB-OD2 3.44Å; T245-D357 PolarHBondContact OG1-OD2 3.43Å; E355-D357 PolarHBondContact O-N 3.34Å
358M98.8Very high98.1Very high2 Ų224 Ų241%0.0113%0.13CC..G310 helixtrans-88.2-7.1178.6-65.8-59.396.900113.4P64 T68 G243 T245 H349 F351 E355 M356 P360P64-M358 WeakPolarHBondContact CG-O 3.27Å; T68-M358 HydrophobicContact CG2-CB 4.2Å; T68-M358 HydrophobicContact CG2-CG 4.47Å; T68-M358 PolarHBondContact OG1-SD 3.35Å; G243-M358 PolarHBondContact N-O 2.74Å; T245-M358 HydrophobicContact CG2-CE 4.11Å; H349-M358 HydrophobicContact CB-CE 4.28Å; H349-M358 HydrophobicContact CB-SD 3.94Å; F351-M358 HydrophobicContact CB-CG 3.92Å; F351-M358 HydrophobicContact CB-SD 4.01Å; F351-M358 HydrophobicContact CD2-CE 3.81Å; F351-M358 HydrophobicContact CD2-SD 3.79Å; F351-M358 HydrophobicContact CG-SD 4.4Å; E355-M358 HydrophobicContact CB-CB 4.42Å; E355-M358 HydrophobicContact CB-CG 4.05Å; E355-M358 PolarHBondContact O-N 3.39Å; M356-M358 PolarHBondContact O-N 3.16Å; M358-P360 VanDerWaalsContact O-CD 3.32Å; M358-P360 WeakPolarHBondContact O-CD 3.15Å
359K98.9Very high98.1Very high11 Ų1123.6 Ų23.65%0.04813%0.128CC..PPolyproline II helixtrans-75.7125.1-177.3-50.6-59.3-177.9172.30110.6W38 Y61 V62 T63 N353 Q354 E355 M356W38-K359 HydrophobicContact CB-CB 4.11Å; W38-K359 WeakPolarHBondContact CB-O 3.46Å; W38-K359 HydrophobicContact CG-CB 4.07Å; W38-K359 PolarHBondContact N-O 3.09Å; Y61-K359 HydrophobicContact CD2-CB 3.99Å; Y61-K359 HydrophobicContact CD2-CD 3.93Å; Y61-K359 HydrophobicContact CD2-CG 3.8Å; Y61-K359 HydrophobicContact CE2-CD 4.15Å; Y61-K359 HydrophobicContact CE2-CG 4.24Å; Y61-K359 HydrophobicContact CG-CB 4.19Å; Y61-K359 HydrophobicContact CG-CG 4.31Å; V62-K359 WeakPolarHBondContact O-CB 3.48Å; T63-K359 PolarHBondContact OG1-NZ 3.22Å; N353-K359 WeakPolarHBondContact O-CE 3.49Å; N353-K359 PolarHBondContact O-NZ 3.41Å; Q354-K359 VanDerWaalsContact O-CE 3.31Å; Q354-K359 WeakPolarHBondContact O-CE 3.38Å; Q354-K359 PolarHBondContact O-NZ 3.07Å; E355-K359 WeakPolarHBondContact O-CE 3.25Å; M356-K359 HydrophobicContact CE-CG 4.15Å; M356-K359 WeakPolarHBondContact O-CG 3.04Å; M356-K359 PolarHBondContact O-N 3.28Å; M356-K359 HydrophobicContact SD-CG 4.16Å
360P98.7Very high98.1Very high0 Ų025.8 Ų25.80%014%0.138CC..BIsolated β-bridgetrans-83.7166.7169.422.2-16.8000112.5F36 V62 A240 M358F36-P360 WeakPolarHBondContact O-CA 3.45Å; V62-P360 HydrophobicContact CG2-CB 4.2Å; V62-P360 HydrophobicContact CG2-CG 3.73Å; V62-P360 VanDerWaalsContact CG2-O 3.27Å; V62-P360 WeakPolarHBondContact CG2-O 3.34Å; V62-P360 PolarHBondContact N-O 3.02Å; V62-P360 VanDerWaalsContact O-CD 3.3Å; V62-P360 WeakPolarHBondContact O-CD 3.3Å; A240-P360 HydrophobicContact CB-CB 3.57Å; A240-P360 WeakPolarHBondContact O-CG 3.36Å; M358-P360 VanDerWaalsContact O-CD 3.32Å; M358-P360 WeakPolarHBondContact O-CD 3.15Å
361F98.8Very high98.1Very high6 Ų632.9 Ų32.93%0.02617%0.171CC..PPolyproline II helixtrans-79.9161.2171.885.7-68.9000112.3F33 F36 L49 M238 T239 A240 R363F33-F361 HydrophobicContact CB-CE1 4.45Å; F33-F361 HydrophobicContact CD2-CZ 4.13Å; F36-F361 HydrophobicContact CB-CD1 3.63Å; F36-F361 HydrophobicContact CB-CE1 3.62Å; F36-F361 HydrophobicContact CD1-CB 4.17Å; F36-F361 AromaticContact CD1-CD1 3.38Å; F36-F361 HydrophobicContact CD1-CD1 3.38Å; F36-F361 AromaticContact CD1-CE1 3.91Å; F36-F361 HydrophobicContact CD1-CE1 3.91Å; F36-F361 AromaticContact CD1-CG 3.84Å; F36-F361 HydrophobicContact CD1-CG 3.84Å; F36-F361 HydrophobicContact CD2-CD1 4.48Å; F36-F361 HydrophobicContact CD2-CE1 4.18Å; F36-F361 HydrophobicContact CE1-CB 4.49Å; F36-F361 HydrophobicContact CE1-CD1 4.17Å; F36-F361 HydrophobicContact CE1-CG 4.23Å; F36-F361 AromaticContact CG-CD1 3.58Å; F36-F361 HydrophobicContact CG-CD1 3.58Å; F36-F361 AromaticContact CG-CE1 3.64Å; F36-F361 HydrophobicContact CG-CE1 3.64Å; F36-F361 HydrophobicContact CG-CG 4.43Å; F36-F361 PolarHBondContact O-N 3.25Å; L49-F361 HydrophobicContact CD2-CE2 4.32Å; M238-F361 HydrophobicContact CB-CE2 4.07Å; M238-F361 HydrophobicContact CB-CZ 4.14Å; T239-F361 WeakPolarHBondContact CA-O 3.34Å; T239-F361 WeakPolarHBondContact O-CE1 3.2Å; T239-F361 PolarHBondContact OG1-O 3.2Å; A240-F361 HydrophobicContact CB-CD1 4.06Å; A240-F361 HydrophobicContact CB-CE1 4.02Å; F361-R363 HydrophobicContact CD2-CG 3.97Å; F361-R363 HydrophobicContact CE2-CG 4.1Å
362F98.9Very high98.1Very high0 Ų038.7 Ų38.70%020%0.202CC..EExtended strand (participates in β ladder)trans-142132.9167.9176.6-86.2000111.2A59 V62 I237 A364 F378 I383 L386 M408A59-F362 HydrophobicContact CB-CB 3.91Å; A59-F362 HydrophobicContact CB-CD1 4.09Å; A59-F362 HydrophobicContact CB-CG 4.4Å; A59-F362 PolarHBondContact N-O 3.21Å; A59-F362 VanDerWaalsContact N-O 3.16Å; V62-F362 HydrophobicContact CG1-CB 3.55Å; V62-F362 HydrophobicContact CG1-CD2 4.42Å; V62-F362 HydrophobicContact CG1-CG 4.12Å; V62-F362 HydrophobicContact CG2-CB 4.16Å; I237-F362 HydrophobicContact CG2-CD2 4.28Å; I237-F362 HydrophobicContact CG2-CE2 3.53Å; I237-F362 HydrophobicContact CG2-CZ 4.09Å; F362-A364 HydrophobicContact CE1-CB 4Å; F362-A364 HydrophobicContact CZ-CB 4.05Å; F362-F378 HydrophobicContact CB-CZ 4.47Å; F362-F378 HydrophobicContact CD1-CE1 4.08Å; F362-F378 AromaticContact CD1-CZ 3.88Å; F362-F378 HydrophobicContact CD1-CZ 3.88Å; F362-F378 AromaticContact CD2-CZ 3.86Å; F362-F378 HydrophobicContact CD2-CZ 3.86Å; F362-F378 HydrophobicContact CE1-CE1 4.38Å; F362-F378 HydrophobicContact CE1-CZ 4.01Å; F362-F378 AromaticContact CE2-CZ 3.96Å; F362-F378 HydrophobicContact CE2-CZ 3.96Å; F362-F378 HydrophobicContact CG-CE1 4.27Å; F362-F378 AromaticContact CG-CZ 3.81Å; F362-F378 HydrophobicContact CG-CZ 3.81Å; F362-F378 HydrophobicContact CZ-CZ 4.04Å; F362-I383 HydrophobicContact CD2-CD1 3.78Å; F362-I383 HydrophobicContact CD2-CG1 4.38Å; F362-I383 HydrophobicContact CE2-CD1 3.84Å; F362-I383 HydrophobicContact CE2-CG1 4Å; F362-L386 HydrophobicContact CZ-CD2 4.23Å; F362-M408 HydrophobicContact CE1-SD 4.07Å; F362-M408 HydrophobicContact CZ-SD 4.4Å
363R98.9Very high98.3Very high5 Ų539.6 Ų39.62%0.01921%0.207CC..EExtended strand (participates in β ladder)trans-138143.7173-62-71164.185.712.1110D41 L49 M52 V57 K58 M238 F361D41-R363 IonicContact OD2-CZ 2.82Å; D41-R363 IonicContact OD2-NH1 2.71Å; D41-R363 IonicContact OD2-NH2 3.6Å; D41-R363 PolarHBondContact OD2-NH2 2.96Å; L49-R363 HydrophobicContact CD2-CG 4.37Å; L49-R363 PolarHBondContact O-NH1 2.93Å; M52-R363 HydrophobicContact CE-CB 3.6Å; M52-R363 HydrophobicContact CG-CB 4.42Å; M52-R363 HydrophobicContact SD-CB 3.74Å; M52-R363 HydrophobicContact SD-CG 4.4Å; V57-R363 WeakPolarHBondContact O-CA 3.14Å; K58-R363 VanDerWaalsContact CG-NE 3.31Å; K58-R363 VanDerWaalsContact NZ-NH2 3.13Å; M238-R363 HydrophobicContact CB-CB 4.49Å; M238-R363 PolarHBondContact N-O 2.82Å; M238-R363 PolarHBondContact O-N 3.07Å; M238-R363 VanDerWaalsContact O-O 3.08Å; F361-R363 HydrophobicContact CD2-CG 3.97Å; F361-R363 HydrophobicContact CE2-CG 4.1Å
364A98.9Very high98.4Very high0 Ų044.8 Ų44.80%023%0.231CC..EExtended strand (participates in β ladder)trans-140.7142.2172.600000111.1G56 V57 I236 I237 F362 F369G56-A364 CarbonylContact C-O 3.55Å; G56-A364 WeakPolarHBondContact CA-O 3.22Å; V57-A364 PolarHBondContact N-O 3.44Å; V57-A364 PolarHBondContact O-N 3.45Å; I236-A364 CarbonylContact O-C 3.35Å; I236-A364 VanDerWaalsContact O-CA 3.29Å; I236-A364 WeakPolarHBondContact O-CA 3.34Å; I237-A364 HydrophobicContact CG1-CB 4.15Å; F362-A364 HydrophobicContact CE1-CB 4Å; F362-A364 HydrophobicContact CZ-CB 4.05Å; A364-F369 HydrophobicContact CB-CD1 3.94Å; A364-F369 HydrophobicContact CB-CD2 3.93Å; A364-F369 HydrophobicContact CB-CE1 3.7Å; A364-F369 HydrophobicContact CB-CE2 3.67Å; A364-F369 HydrophobicContact CB-CG 4.05Å; A364-F369 HydrophobicContact CB-CZ 3.56Å
365V98.8Very high98.5Very high19 Ų1939.7 Ų39.712%0.11521%0.207CC..EExtended strand (participates in β ladder)trans-145.4143.2177.467.40000109.8M52 D55 I236M52-V365 HydrophobicContact CE-CB 4.25Å; M52-V365 HydrophobicContact CE-CG1 3.76Å; M52-V365 HydrophobicContact CG-CB 4.23Å; M52-V365 HydrophobicContact CG-CG1 4.16Å; D55-V365 HydrophobicContact CB-CG2 4.1Å; D55-V365 WeakPolarHBondContact O-CG2 3.39Å; I236-V365 HydrophobicContact CB-CG1 4.12Å; I236-V365 PolarHBondContact N-O 3.43Å; I236-V365 PolarHBondContact O-N 3.41Å
366G97.9Very high98.5Very high22 Ų2238 Ų3823%0.22721%0.211CC..SBendtrans151175.4177.900000112.8A368 F369G366-A368 PolarHBondContact O-N 2.89Å; G366-A368 VanDerWaalsContact O-N 3.16Å; G366-F369 PolarHBondContact O-N 3.1Å; G366-F369 VanDerWaalsContact O-N 3.09Å
367P96.9Very high98.5Very high50 Ų5037.4 Ų37.433%0.32521%0.212SC..THydrogen-bonded Turntrans-59.7-22.7-178.426.8-39.4000114.7K232 L234 N235 V410K232-P367 WeakPolarHBondContact O-CG 3.26Å; L234-P367 WeakPolarHBondContact O-CD 3.4Å; N235-P367 VanDerWaalsContact OD1-CD 3.24Å; N235-P367 WeakPolarHBondContact OD1-CD 3.44Å; N235-P367 WeakPolarHBondContact OD1-CG 3.31Å; P367-V410 WeakPolarHBondContact O-CG2 3.41Å
368A97.6Very high98.5Very high16 Ų1635.9 Ų35.913%0.13220%0.203CC..THydrogen-bonded Turntrans-83.9-17.7178.200000113.4N235 G366 I390 L409 V410N235-A368 WeakPolarHBondContact OD1-CB 3.18Å; N235-A368 PolarHBondContact OD1-N 3.28Å; G366-A368 PolarHBondContact O-N 2.89Å; G366-A368 VanDerWaalsContact O-N 3.16Å; A368-I390 HydrophobicContact CB-CG1 4.19Å; A368-I390 HydrophobicContact CB-CG2 4.19Å; A368-L409 HydrophobicContact CB-CD2 4.13Å; A368-L409 CarbonylContact O-C 3.59Å; A368-L409 WeakPolarHBondContact O-CA 3.33Å; A368-L409 WeakPolarHBondContact O-CD2 3.48Å; A368-V410 PolarHBondContact O-N 2.55Å
369F98.5Very high98.5Very high6 Ų638.7 Ų38.73%0.02622%0.216CC..BIsolated β-bridgetrans-101.4148-170.4-70.8-72.1000112.7V57 N235 I237 A364 G366 L386 I390 M408 L409V57-F369 HydrophobicContact CG2-CB 4.07Å; V57-F369 HydrophobicContact CG2-CD1 4.11Å; V57-F369 HydrophobicContact CG2-CG 4.48Å; N235-F369 HydrophobicContact CB-CD2 4.4Å; N235-F369 HydrophobicContact CB-CE2 4.02Å; I237-F369 HydrophobicContact CD1-CZ 4.1Å; I237-F369 HydrophobicContact CG1-CE2 4.1Å; I237-F369 HydrophobicContact CG1-CZ 3.91Å; A364-F369 HydrophobicContact CB-CD1 3.94Å; A364-F369 HydrophobicContact CB-CD2 3.93Å; A364-F369 HydrophobicContact CB-CE1 3.7Å; A364-F369 HydrophobicContact CB-CE2 3.67Å; A364-F369 HydrophobicContact CB-CG 4.05Å; A364-F369 HydrophobicContact CB-CZ 3.56Å; G366-F369 PolarHBondContact O-N 3.1Å; G366-F369 VanDerWaalsContact O-N 3.09Å; F369-L386 HydrophobicContact CE1-CD1 4.3Å; F369-L386 HydrophobicContact CE1-CD2 4.13Å; F369-L386 HydrophobicContact CZ-CD2 4.24Å; F369-I390 HydrophobicContact CE1-CD1 4.3Å; F369-I390 HydrophobicContact CE2-CD1 3.86Å; F369-I390 HydrophobicContact CZ-CD1 3.51Å; F369-M408 WeakPolarHBondContact CA-O 3.5Å; F369-M408 HydrophobicContact CD1-CB 4.17Å; F369-M408 HydrophobicContact CE1-CB 4.36Å; F369-L409 HydrophobicContact CD1-CD2 3.89Å; F369-L409 HydrophobicContact CE1-CD2 3.79Å; F369-L409 HydrophobicContact CZ-CD2 4.38Å
370H98.4Very high98.5Very high55 Ų5538.2 Ų38.226%0.25521%0.214SC..PPolyproline II helixtrans-61.6154.5165.2-80.8-68.2000110.8G56 V57 L373 H407 M408 L409G56-H370 CarbonylContact C-O 3.53Å; G56-H370 VanDerWaalsContact CA-O 3.31Å; G56-H370 WeakPolarHBondContact CA-O 3.1Å; V57-H370 HydrophobicContact CG2-CB 4.43Å; V57-H370 WeakPolarHBondContact CG2-O 3.37Å; H370-L373 HydrophobicContact CB-CB 4.06Å; H370-L373 HydrophobicContact CB-CD2 3.78Å; H370-H407 PolarHBondContact CD2-O 3.39Å; H370-M408 PolarHBondContact N-O 3.41Å; H370-L409 PolarHBondContact CD2-O 2.91Å; H370-L409 PolarHBondContact NE2-O 3.39Å
371Q98.2Very high98.5Very high150 Ų15038.3 Ų38.370%0.70121%0.214SC*.SBendtrans-101.9149.7174.1-57.8-173.1-19.600110.1D55 G56 L373D55-Q371 WeakPolarHBondContact O-CG 3.46Å; G56-Q371 CarbonylContact O-C 3.5Å; Q371-L373 PolarHBondContact O-N 3.49Å
372N98.4Very high98.5Very high124 Ų12438.5 Ų38.566%0.66322%0.216SC*.SBendtrans5044178-167.653.7000112.9K54 G56K54-N372 WeakPolarHBondContact O-CA 3.45Å; K54-N372 WeakPolarHBondContact O-CB 3.29Å; K54-N372 PolarHBondContact O-N 2.92Å; G56-N372 PolarHBondContact O-N 2.92Å
373L98.8Very high98.5Very high50 Ų5038.5 Ų38.526%0.26222%0.216SC..EExtended strand (participates in β ladder)trans-113.2116.5-179178.165.5000110.3G56 V57 K58 H370 Q371 V375G56-L373 PolarHBondContact O-N 2.85Å; V57-L373 CarbonylContact C-O 3.55Å; V57-L373 VanDerWaalsContact CA-O 3.26Å; V57-L373 WeakPolarHBondContact CA-O 3.47Å; V57-L373 HydrophobicContact CG2-CB 4.26Å; V57-L373 HydrophobicContact CG2-CD2 4.26Å; K58-L373 PolarHBondContact N-O 2.84Å; H370-L373 HydrophobicContact CB-CB 4.06Å; H370-L373 HydrophobicContact CB-CD2 3.78Å; Q371-L373 PolarHBondContact O-N 3.49Å; L373-V375 HydrophobicContact CD1-CG1 4.38Å; L373-V375 HydrophobicContact CD2-CG1 3.9Å; L373-V375 HydrophobicContact CG-CG1 3.8Å
374E98.7Very high98.5Very high116 Ų11638.2 Ų38.254%0.54222%0.215SC..EExtended strand (participates in β ladder)trans-94.5133.6165-169.2175.4145.300109.8K58 Q60K58-E374 CarbonylContact O-C 3.53Å; K58-E374 VanDerWaalsContact O-CA 3.28Å; K58-E374 WeakPolarHBondContact O-CA 3.46Å; Q60-E374 HydrophobicContact CG-CG 4.39Å; Q60-E374 VanDerWaalsContact CG-OE1 3.27Å; Q60-E374 WeakPolarHBondContact CG-OE1 3.44Å
375V98.7Very high98.5Very high9 Ų938.7 Ų38.76%0.05522%0.218CC..EExtended strand (participates in β ladder)trans-120.3155.2179.2-570000110.9V57 K58 A59 Q60 L373 H407 M408V57-V375 HydrophobicContact CG1-CG1 4.1Å; V57-V375 HydrophobicContact CG1-CG2 4.2Å; K58-V375 PolarHBondContact O-N 2.85Å; A59-V375 HydrophobicContact CB-CG2 4Å; Q60-V375 PolarHBondContact N-O 2.74Å; L373-V375 HydrophobicContact CD1-CG1 4.38Å; L373-V375 HydrophobicContact CD2-CG1 3.9Å; L373-V375 HydrophobicContact CG-CG1 3.8Å; V375-H407 VanDerWaalsContact CG1-NE2 3.29Å; V375-H407 WeakPolarHBondContact CG1-NE2 3.5Å; V375-M408 HydrophobicContact CG1-CG 4.24Å; V375-M408 HydrophobicContact CG2-CE 3.65Å
376G98.8Very high98.5Very high41 Ų4137.8 Ų37.842%0.42321%0.212SC..  trans-65.5173.7174.200000112.7
377P98.8Very high98.6Very high56 Ų5636.8 Ų36.836%0.36420%0.202SC..  trans-66.5150.1-179.8-18.932.6000113.3Q60 Y61Q60-P377 HydrophobicContact CB-CG 4.26Å; Y61-P377 HydrophobicContact CD1-CB 4.4Å; Y61-P377 HydrophobicContact CD1-CG 3.93Å; Y61-P377 HydrophobicContact CD2-CB 3.72Å; Y61-P377 HydrophobicContact CD2-CG 4.12Å; Y61-P377 HydrophobicContact CE1-CB 4.1Å; Y61-P377 HydrophobicContact CE1-CG 3.39Å; Y61-P377 HydrophobicContact CE2-CB 3.36Å; Y61-P377 HydrophobicContact CE2-CG 3.62Å; Y61-P377 HydrophobicContact CG-CB 4.23Å; Y61-P377 HydrophobicContact CG-CG 4.25Å; Y61-P377 VanDerWaalsContact O-CA 3.29Å; Y61-P377 WeakPolarHBondContact O-CA 3.2Å; Y61-P377 WeakPolarHBondContact OH-CG 3.06Å
378F98.8Very high98.7Very high15 Ų1534.4 Ų34.47%0.06619%0.186CC..EExtended strand (participates in β ladder)trans-150.8166.1172.666.3-85.2000111.1A59 V62 T63 F362 N382 I383 V404 T405 M408A59-F378 HydrophobicContact CB-CD1 4.28Å; A59-F378 HydrophobicContact CB-CE1 3.73Å; V62-F378 CarbonylContact C-O 3.56Å; V62-F378 WeakPolarHBondContact CA-O 3.44Å; V62-F378 WeakPolarHBondContact CB-O 3.2Å; V62-F378 HydrophobicContact CG1-CD1 3.97Å; V62-F378 HydrophobicContact CG1-CD2 4.12Å; V62-F378 HydrophobicContact CG1-CE1 3.54Å; V62-F378 HydrophobicContact CG1-CE2 3.71Å; V62-F378 HydrophobicContact CG1-CG 4.24Å; V62-F378 HydrophobicContact CG1-CZ 3.4Å; V62-F378 VanDerWaalsContact CG1-CZ 3.4Å; T63-F378 PolarHBondContact N-O 3.41Å; F362-F378 HydrophobicContact CB-CZ 4.47Å; F362-F378 HydrophobicContact CD1-CE1 4.08Å; F362-F378 AromaticContact CD1-CZ 3.88Å; F362-F378 HydrophobicContact CD1-CZ 3.88Å; F362-F378 AromaticContact CD2-CZ 3.86Å; F362-F378 HydrophobicContact CD2-CZ 3.86Å; F362-F378 HydrophobicContact CE1-CE1 4.38Å; F362-F378 HydrophobicContact CE1-CZ 4.01Å; F362-F378 AromaticContact CE2-CZ 3.96Å; F362-F378 HydrophobicContact CE2-CZ 3.96Å; F362-F378 HydrophobicContact CG-CE1 4.27Å; F362-F378 AromaticContact CG-CZ 3.81Å; F362-F378 HydrophobicContact CG-CZ 3.81Å; F362-F378 HydrophobicContact CZ-CZ 4.04Å; F378-N382 HydrophobicContact CD2-CB 4.27Å; F378-I383 HydrophobicContact CE2-CD1 4.38Å; F378-I383 HydrophobicContact CE2-CG1 3.89Å; F378-V404 HydrophobicContact CB-CG1 3.63Å; F378-V404 HydrophobicContact CG-CG1 4.36Å; F378-T405 HydrophobicContact CD2-CG2 4Å; F378-T405 HydrophobicContact CE2-CG2 3.93Å; F378-T405 HydrophobicContact CZ-CG2 4.43Å; F378-M408 HydrophobicContact CD1-CE 3.66Å; F378-M408 HydrophobicContact CE1-CE 3.23Å; F378-M408 HydrophobicContact CE2-CE 4.49Å; F378-M408 HydrophobicContact CG-CE 4.45Å; F378-M408 HydrophobicContact CZ-CE 3.71Å
379E98.8Very high98.7Very high61 Ų6138.1 Ų38.129%0.28520%0.201SC..EExtended strand (participates in β ladder)trans-84.5142.4179.8-62.8-176146.500112.6T63 Y82 V381 N382T63-E379 HydrophobicContact CG2-CG 4.42Å; T63-E379 CarbonylContact O-C 3.57Å; T63-E379 VanDerWaalsContact O-CA 3.27Å; T63-E379 WeakPolarHBondContact O-CA 3.41Å; Y82-E379 PolarHBondContact OH-OE2 2.83Å; E379-V381 HydrophobicContact CB-CG1 3.85Å; E379-V381 PolarHBondContact O-N 2.95Å; E379-V381 VanDerWaalsContact O-N 3.11Å; E379-N382 WeakPolarHBondContact O-CB 3.32Å; E379-N382 PolarHBondContact O-N 3.1Å; E379-N382 PolarHBondContact O-ND2 3.33Å
380T98.6Very high98.7Very high1 Ų138.5 Ų38.51%0.00620%0.203CC..G310 helixtrans-61.2-22.9-177.756.20000113.5V62 T63 P65 L77 N382 I383V62-T380 HydrophobicContact CB-CG2 3.95Å; V62-T380 HydrophobicContact CG2-CG2 3.84Å; T63-T380 PolarHBondContact O-N 3.14Å; P65-T380 WeakPolarHBondContact CD-OG1 3.48Å; L77-T380 HydrophobicContact CD2-CG2 4.25Å; T380-N382 PolarHBondContact O-N 3.29Å; T380-N382 VanDerWaalsContact O-N 3.08Å; T380-I383 HydrophobicContact CG2-CD1 4.3Å; T380-I383 VanDerWaalsContact O-CB 3.31Å; T380-I383 WeakPolarHBondContact O-CB 3.36Å; T380-I383 WeakPolarHBondContact O-CG1 3.48Å; T380-I383 PolarHBondContact O-N 2.71Å
381V98.7Very high98.7Very high2 Ų236.7 Ų36.71%0.01220%0.195CC..G310 helixtrans-54.1-27.1172.8760000112.7T76 G80 Y82 E379 I383 P385 D399T76-V381 HydrophobicContact CG2-CB 4.2Å; T76-V381 HydrophobicContact CG2-CG2 4.38Å; G80-V381 WeakPolarHBondContact CA-O 3.29Å; G80-V381 WeakPolarHBondContact O-CG2 3.25Å; Y82-V381 HydrophobicContact CE1-CB 4.36Å; Y82-V381 HydrophobicContact CE1-CG1 4.27Å; Y82-V381 HydrophobicContact CE1-CG2 4.5Å; E379-V381 HydrophobicContact CB-CG1 3.85Å; E379-V381 PolarHBondContact O-N 2.95Å; E379-V381 VanDerWaalsContact O-N 3.11Å; V381-I383 VanDerWaalsContact C-N 3.31Å; V381-I383 PolarHBondContact O-N 2.82Å; V381-P385 WeakPolarHBondContact O-CD 3.35Å; V381-D399 HydrophobicContact CG2-CB 3.99Å
382N98.9Very high98.7Very high10 Ų1032.6 Ų32.65%0.05319%0.193CC..G310 helixtrans-82.2-3179.9-56-71.9000114F378 E379 T380 P385 Q401 V404 T405F378-N382 HydrophobicContact CD2-CB 4.27Å; E379-N382 WeakPolarHBondContact O-CB 3.32Å; E379-N382 PolarHBondContact O-N 3.1Å; E379-N382 PolarHBondContact O-ND2 3.33Å; T380-N382 PolarHBondContact O-N 3.29Å; T380-N382 VanDerWaalsContact O-N 3.08Å; N382-P385 WeakPolarHBondContact O-CD 3.13Å; N382-P385 WeakPolarHBondContact O-CG 3.28Å; N382-Q401 PolarHBondContact OD1-N 2.97Å; N382-Q401 PolarHBondContact OD1-O 3.22Å; N382-V404 HydrophobicContact CB-CB 4.28Å; N382-V404 HydrophobicContact CB-CG1 4.3Å; N382-T405 HydrophobicContact CB-CG2 3.87Å
383I98.9Very high98.7Very high0 Ų027.2 Ų27.20%016%0.164CC..Hα-helixtrans-76.2-36.7179-63.5173.8000111.1L77 I237 F362 F378 T380 V381 L386 M387L77-I383 HydrophobicContact CD2-CB 4.28Å; L77-I383 HydrophobicContact CD2-CD1 3.56Å; L77-I383 HydrophobicContact CD2-CG1 4.43Å; I237-I383 HydrophobicContact CG2-CG2 4.49Å; F362-I383 HydrophobicContact CD2-CD1 3.78Å; F362-I383 HydrophobicContact CD2-CG1 4.38Å; F362-I383 HydrophobicContact CE2-CD1 3.84Å; F362-I383 HydrophobicContact CE2-CG1 4Å; F378-I383 HydrophobicContact CE2-CD1 4.38Å; F378-I383 HydrophobicContact CE2-CG1 3.89Å; T380-I383 HydrophobicContact CG2-CD1 4.3Å; T380-I383 VanDerWaalsContact O-CB 3.31Å; T380-I383 WeakPolarHBondContact O-CB 3.36Å; T380-I383 WeakPolarHBondContact O-CG1 3.48Å; T380-I383 PolarHBondContact O-N 2.71Å; V381-I383 VanDerWaalsContact C-N 3.31Å; V381-I383 PolarHBondContact O-N 2.82Å; I383-L386 WeakPolarHBondContact O-CB 3.45Å; I383-L386 PolarHBondContact O-N 3.25Å; I383-M387 HydrophobicContact CG2-CE 4.12Å; I383-M387 HydrophobicContact CG2-CG 4.29Å; I383-M387 HydrophobicContact CG2-SD 4.25Å; I383-M387 WeakPolarHBondContact O-CG 3.28Å; I383-M387 PolarHBondContact O-N 2.76Å
384Y98.9Very high98.6Very high0 Ų031.6 Ų31.60%018%0.184CC..Hα-helixtrans-57.3-54.8175.6173.9-99.4000113.7L78 T79 I121 T124 L386 M387 C388 P395 E396 N398L78-Y384 WeakPolarHBondContact O-CD2 3.41Å; L78-Y384 VanDerWaalsContact O-CE2 3.3Å; L78-Y384 WeakPolarHBondContact O-CE2 3.42Å; T79-Y384 VanDerWaalsContact C-CG 3.44Å; T79-Y384 WeakPolarHBondContact O-CD1 3.46Å; I121-Y384 HydrophobicContact CB-CD2 3.97Å; I121-Y384 HydrophobicContact CB-CE2 3.68Å; I121-Y384 HydrophobicContact CD1-CD2 4.18Å; I121-Y384 HydrophobicContact CD1-CE2 4.28Å; I121-Y384 HydrophobicContact CG1-CD2 4.31Å; I121-Y384 HydrophobicContact CG1-CE2 3.97Å; T124-Y384 PolarHBondContact OG1-OH 3.14Å; Y384-L386 PolarHBondContact O-N 3.47Å; Y384-M387 PolarHBondContact O-N 2.9Å; Y384-M387 VanDerWaalsContact O-N 3.1Å; Y384-C388 VanDerWaalsContact CZ-SG 3.56Å; Y384-C388 PolarHBondContact O-N 3.44Å; Y384-C388 PolarHBondContact O-SG 2.63Å; Y384-P395 HydrophobicContact CD1-CB 4.42Å; Y384-P395 HydrophobicContact CE1-CB 3.64Å; Y384-E396 WeakPolarHBondContact OH-CB 3.23Å; Y384-E396 WeakPolarHBondContact OH-CG 3.33Å; Y384-E396 PolarHBondContact OH-N 2.82Å; Y384-N398 HydrophobicContact CD1-CB 3.86Å; Y384-N398 HydrophobicContact CE1-CB 3.95Å
385P98.9Very high98.6Very high10 Ų1028.8 Ų28.87%0.06518%0.176CC..Hα-helixtrans-64.2-29.2179.124.8-34.5000112.8V381 N382 H389 L402V381-P385 WeakPolarHBondContact O-CD 3.35Å; N382-P385 WeakPolarHBondContact O-CD 3.13Å; N382-P385 WeakPolarHBondContact O-CG 3.28Å; P385-H389 WeakPolarHBondContact O-CB 3.47Å; P385-H389 PolarHBondContact O-N 3.23Å; P385-L402 HydrophobicContact CB-CB 4.32Å
386L98.9Very high98.6Very high0 Ų031.8 Ų31.80%019%0.189CC..Hα-helixtrans-60.9-50.4170.917663.2000111.3I237 F362 F369 I383 Y384 H389 I390 M408 L409I237-L386 HydrophobicContact CD1-CD2 4.4Å; F362-L386 HydrophobicContact CZ-CD2 4.23Å; F369-L386 HydrophobicContact CE1-CD1 4.3Å; F369-L386 HydrophobicContact CE1-CD2 4.13Å; F369-L386 HydrophobicContact CZ-CD2 4.24Å; I383-L386 WeakPolarHBondContact O-CB 3.45Å; I383-L386 PolarHBondContact O-N 3.25Å; Y384-L386 PolarHBondContact O-N 3.47Å; L386-H389 WeakPolarHBondContact O-CB 3.46Å; L386-H389 PolarHBondContact O-N 3.17Å; L386-I390 HydrophobicContact CD1-CD1 4.15Å; L386-I390 HydrophobicContact CG-CD1 4.15Å; L386-I390 WeakPolarHBondContact O-CG1 3.2Å; L386-I390 PolarHBondContact O-N 3.25Å; L386-M408 HydrophobicContact CD2-SD 4.44Å; L386-L409 HydrophobicContact CD1-CD1 3.94Å; L386-L409 HydrophobicContact CD1-CD2 3.85Å; L386-L409 HydrophobicContact CD1-CG 3.97Å
387M98.9Very high98.6Very high0 Ų035.3 Ų35.30%020%0.202CC..Hα-helixtrans-62.6-43.9178.5-67.9-172.8-62.900111.8V28 L30 L77 I121 F185 I237 I383 Y384 H389 I390 L391V28-M387 HydrophobicContact CG1-CB 4.45Å; V28-M387 HydrophobicContact CG1-CG 4.05Å; V28-M387 HydrophobicContact CG1-SD 4.19Å; L30-M387 HydrophobicContact CB-SD 4Å; L30-M387 HydrophobicContact CD1-SD 4.22Å; L30-M387 HydrophobicContact CD2-CE 4.1Å; L30-M387 HydrophobicContact CD2-SD 3.96Å; L30-M387 HydrophobicContact CG-SD 4.28Å; L77-M387 VanDerWaalsContact O-CE 3.24Å; L77-M387 WeakPolarHBondContact O-CE 3.43Å; I121-M387 HydrophobicContact CD1-CB 3.46Å; I121-M387 VanDerWaalsContact CD1-CB 3.46Å; I121-M387 HydrophobicContact CD1-CE 3.9Å; I121-M387 HydrophobicContact CD1-SD 4.41Å; F185-M387 HydrophobicContact CE2-SD 3.8Å; I237-M387 HydrophobicContact CD1-CG 3.71Å; I237-M387 HydrophobicContact CD1-SD 4.46Å; I383-M387 HydrophobicContact CG2-CE 4.12Å; I383-M387 HydrophobicContact CG2-CG 4.29Å; I383-M387 HydrophobicContact CG2-SD 4.25Å; I383-M387 WeakPolarHBondContact O-CG 3.28Å; I383-M387 PolarHBondContact O-N 2.76Å; Y384-M387 PolarHBondContact O-N 2.9Å; Y384-M387 VanDerWaalsContact O-N 3.1Å; M387-H389 VanDerWaalsContact C-N 3.29Å; M387-H389 PolarHBondContact O-N 2.86Å; M387-I390 PolarHBondContact O-N 2.69Å; M387-L391 WeakPolarHBondContact O-CB 3.31Å; M387-L391 WeakPolarHBondContact O-CG 3.44Å; M387-L391 PolarHBondContact O-N 3.09Å
388C98.8Very high98.6Very high1 Ų134.2 Ų34.21%0.00719%0.193CC..Hα-helixtrans-58.2-42.5175.5-69.70000111.9Y384 L391 G392 I393 P395Y384-C388 VanDerWaalsContact CZ-SG 3.56Å; Y384-C388 PolarHBondContact O-N 3.44Å; Y384-C388 PolarHBondContact O-SG 2.63Å; C388-L391 PolarHBondContact O-N 3.06Å; C388-G392 PolarHBondContact O-N 3.19Å; C388-I393 HydrophobicContact CB-CD1 4.42Å; C388-I393 HydrophobicContact CB-CG1 3.86Å; C388-I393 PolarHBondContact O-N 2.95Å; C388-P395 HydrophobicContact CB-CB 4.01Å
389H98.4Very high98.6Very high94 Ų9435.8 Ų35.844%0.43520%0.202SC..Hα-helixtrans-62.4-45.2177.3-177.283.7000112.5P385 L386 M387 L391 G392 L402 L409P385-H389 WeakPolarHBondContact O-CB 3.47Å; P385-H389 PolarHBondContact O-N 3.23Å; L386-H389 WeakPolarHBondContact O-CB 3.46Å; L386-H389 PolarHBondContact O-N 3.17Å; M387-H389 VanDerWaalsContact C-N 3.29Å; M387-H389 PolarHBondContact O-N 2.86Å; H389-L391 VanDerWaalsContact C-N 3.34Å; H389-L391 PolarHBondContact O-N 3.04Å; H389-G392 PolarHBondContact O-N 3.14Å; H389-G392 VanDerWaalsContact O-N 3.15Å; H389-L402 HydrophobicContact CB-CD1 3.77Å; H389-L402 HydrophobicContact CB-CD2 3.9Å; H389-L402 HydrophobicContact CB-CG 4.5Å; H389-L402 WeakPolarHBondContact ND1-CD2 3.48Å; H389-L409 WeakPolarHBondContact CD2-CD1 3.38Å
390I98.4Very high98.6Very high13 Ų1333.4 Ų33.47%0.06719%0.194CC..Hα-helixtrans-63.4-42.6179-64.6165.8000110.7Q26 V28 N235 A368 F369 L386 M387 G392 L409Q26-I390 HydrophobicContact CB-CG2 4.08Å; Q26-I390 WeakPolarHBondContact CB-O 3.47Å; V28-I390 HydrophobicContact CG2-CB 3.89Å; V28-I390 HydrophobicContact CG2-CG2 3.49Å; V28-I390 VanDerWaalsContact CG2-CG2 3.49Å; N235-I390 HydrophobicContact CB-CG2 4.16Å; N235-I390 WeakPolarHBondContact ND2-CG2 3.24Å; A368-I390 HydrophobicContact CB-CG1 4.19Å; A368-I390 HydrophobicContact CB-CG2 4.19Å; F369-I390 HydrophobicContact CE1-CD1 4.3Å; F369-I390 HydrophobicContact CE2-CD1 3.86Å; F369-I390 HydrophobicContact CZ-CD1 3.51Å; L386-I390 HydrophobicContact CD1-CD1 4.15Å; L386-I390 HydrophobicContact CG-CD1 4.15Å; L386-I390 WeakPolarHBondContact O-CG1 3.2Å; L386-I390 PolarHBondContact O-N 3.25Å; M387-I390 PolarHBondContact O-N 2.69Å; I390-G392 PolarHBondContact O-N 3.23Å; I390-L409 HydrophobicContact CD1-CD2 4.14Å; I390-L409 HydrophobicContact CG1-CD2 4.06Å
391L98.4Very high98.5Very high17 Ų1739 Ų399%0.08922%0.22CC..Hα-helixtrans-71-13.5177.1-69.6170000113.4V28 I121 L130 D184 F185 M387 C388 H389 I393V28-L391 HydrophobicContact CB-CD2 4.07Å; V28-L391 HydrophobicContact CB-CG 4.25Å; V28-L391 HydrophobicContact CG2-CD1 4.49Å; V28-L391 HydrophobicContact CG2-CD2 3.83Å; V28-L391 HydrophobicContact CG2-CG 3.77Å; I121-L391 HydrophobicContact CD1-CD1 4.12Å; L130-L391 HydrophobicContact CD1-CB 4.01Å; L130-L391 HydrophobicContact CD1-CD2 4.21Å; D184-L391 HydrophobicContact CB-CD2 4.37Å; D184-L391 WeakPolarHBondContact O-CD2 3.44Å; F185-L391 HydrophobicContact CB-CD1 4.1Å; F185-L391 HydrophobicContact CB-CD2 4.42Å; F185-L391 HydrophobicContact CD2-CD1 4.09Å; F185-L391 HydrophobicContact CG-CD1 4.41Å; M387-L391 WeakPolarHBondContact O-CB 3.31Å; M387-L391 WeakPolarHBondContact O-CG 3.44Å; M387-L391 PolarHBondContact O-N 3.09Å; C388-L391 PolarHBondContact O-N 3.06Å; H389-L391 VanDerWaalsContact C-N 3.34Å; H389-L391 PolarHBondContact O-N 3.04Å; L391-I393 VanDerWaalsContact C-N 3.33Å; L391-I393 HydrophobicContact CB-CD1 4.22Å; L391-I393 HydrophobicContact CB-CG1 4.02Å; L391-I393 HydrophobicContact CB-CG2 4.32Å; L391-I393 HydrophobicContact CD1-CD1 4.01Å
392G97.3Very high98.5Very high65 Ų6540.9 Ų40.967%0.6723%0.23SC*.THydrogen-bonded Turntrans69.828.8-177.100000113.7C388 H389 I390C388-G392 PolarHBondContact O-N 3.19Å; H389-G392 PolarHBondContact O-N 3.14Å; H389-G392 VanDerWaalsContact O-N 3.15Å; I390-G392 PolarHBondContact O-N 3.23Å
393I98.4Very high98.5Very high10 Ų1044.1 Ų44.15%0.05125%0.253CS..  trans-106.4152.2179.462177.8000111.1I121 T124 A125 Q128 L130 C388 L391I121-I393 HydrophobicContact CG1-CD1 4.31Å; T124-I393 HydrophobicContact CG2-CD1 4.32Å; A125-I393 HydrophobicContact CB-CD1 3.93Å; Q128-I393 HydrophobicContact CB-CG2 4.05Å; L130-I393 HydrophobicContact CD1-CG2 3.46Å; L130-I393 VanDerWaalsContact CD1-CG2 3.46Å; L130-I393 HydrophobicContact CG-CG2 4.09Å; C388-I393 HydrophobicContact CB-CD1 4.42Å; C388-I393 HydrophobicContact CB-CG1 3.86Å; C388-I393 PolarHBondContact O-N 2.95Å; L391-I393 VanDerWaalsContact C-N 3.33Å; L391-I393 HydrophobicContact CB-CD1 4.22Å; L391-I393 HydrophobicContact CB-CG1 4.02Å; L391-I393 HydrophobicContact CB-CG2 4.32Å; L391-I393 HydrophobicContact CD1-CD1 4.01Å
394Q98.5Very high98.5Very high143 Ų14346.5 Ų46.567%0.66827%0.267SS*.PPolyproline II helixtrans-73.1125.1170-61.9-55-49.900109.2T124 Q128T124-Q394 WeakPolarHBondContact CG2-O 3.33Å; Q128-Q394 PolarHBondContact NE2-O 2.83Å
395P98.6Very high98.5Very high57 Ų5746.5 Ų46.537%0.3727%0.267SS..PPolyproline II helixtrans-69.4151.5175.729.6-34000110.9Y384 C388Y384-P395 HydrophobicContact CD1-CB 4.42Å; Y384-P395 HydrophobicContact CE1-CB 3.64Å; C388-P395 HydrophobicContact CB-CB 4.01Å
396E98.4Very high98.4Very high71 Ų7150.9 Ų50.933%0.33229%0.287SS..PPolyproline II helixtrans-66172164.4-63.1-66.4165.700110.6L119 T124 Y384 N398L119-E396 HydrophobicContact CB-CG 4.35Å; T124-E396 HydrophobicContact CG2-CG 3.89Å; T124-E396 VanDerWaalsContact OG1-CG 3.22Å; T124-E396 WeakPolarHBondContact OG1-CG 3.45Å; Y384-E396 WeakPolarHBondContact OH-CB 3.23Å; Y384-E396 WeakPolarHBondContact OH-CG 3.33Å; Y384-E396 PolarHBondContact OH-N 2.82Å; E396-N398 PolarHBondContact O-N 3.26Å; E396-N398 VanDerWaalsContact O-N 3.09Å; E396-N398 PolarHBondContact O-ND2 2.86Å
397V97.9Very high98.4Very high116 Ų11655.7 Ų55.770%0.70331%0.309SS*.SBendtrans-59.8117.1170.2179.40000109.3R81R81-V397 PolarHBondContact NH1-O 2.83Å
398N98.6Very high98.4Very high33 Ų3355.7 Ų55.718%0.17631%0.309CS..  trans-141.8162.4-175.47498.7000110T79 G80 R81 Y384 E396 G400T79-N398 WeakPolarHBondContact O-CB 3.3Å; G80-N398 WeakPolarHBondContact O-CB 3.29Å; R81-N398 HydrophobicContact CG-CB 4.42Å; Y384-N398 HydrophobicContact CD1-CB 3.86Å; Y384-N398 HydrophobicContact CE1-CB 3.95Å; E396-N398 PolarHBondContact O-N 3.26Å; E396-N398 VanDerWaalsContact O-N 3.09Å; E396-N398 PolarHBondContact O-ND2 2.86Å; N398-G400 WeakPolarHBondContact OD1-CA 3.5Å; N398-G400 PolarHBondContact OD1-N 2.93Å; N398-G400 PolarHBondContact OD1-O 3.3Å; N398-G400 VanDerWaalsContact OD1-O 3.14Å
399D98.6Very high98.3Very high48 Ų4856.5 Ų56.526%0.25731%0.314SS..SBendtrans-92.5-13.3-177.3-54.4-40.1000111.9G80 R81 Y82 N85 V381G80-D399 PolarHBondContact O-N 3.23Å; R81-D399 VanDerWaalsContact CA-OD2 3.24Å; R81-D399 WeakPolarHBondContact CA-OD2 3.32Å; Y82-D399 HydrophobicContact CD2-CB 3.62Å; Y82-D399 WeakPolarHBondContact CD2-OD2 3.48Å; Y82-D399 HydrophobicContact CE2-CB 3.73Å; Y82-D399 PolarHBondContact N-OD2 3.45Å; N85-D399 VanDerWaalsContact ND2-CG 3.32Å; N85-D399 PolarHBondContact ND2-OD1 3.16Å; N85-D399 PolarHBondContact ND2-OD2 2.87Å; V381-D399 HydrophobicContact CG2-CB 3.99Å
400G98.4Very high98.2Very high11 Ų1154.4 Ų54.411%0.11331%0.308CS..  trans-76160.3177.700000114G80 N398G80-G400 PolarHBondContact O-N 2.8Å; N398-G400 WeakPolarHBondContact OD1-CA 3.5Å; N398-G400 PolarHBondContact OD1-N 2.93Å; N398-G400 PolarHBondContact OD1-O 3.3Å; N398-G400 VanDerWaalsContact OD1-O 3.14Å
401Q98.4Very high97.2Very high117 Ų11758.5 Ų58.555%0.54733%0.333SS..  trans-129.5121.5179.8-63.1-178.642.100111.3N382 S403 V404N382-Q401 PolarHBondContact OD1-N 2.97Å; N382-Q401 PolarHBondContact OD1-O 3.22Å; Q401-S403 PolarHBondContact O-N 3.25Å; Q401-V404 HydrophobicContact CB-CG2 4.06Å; Q401-V404 WeakPolarHBondContact O-CB 3.26Å; Q401-V404 PolarHBondContact O-N 3.16Å; Q401-V404 VanDerWaalsContact O-N 3.15Å
402L98.4Very high95.2Very high43 Ų4362.6 Ų62.623%0.22536%0.363CS..Hα-helixtrans-57.7-34.6175.9176.962.7000112.1P385 H389 V404 T405 Q406P385-L402 HydrophobicContact CB-CB 4.32Å; H389-L402 HydrophobicContact CB-CD1 3.77Å; H389-L402 HydrophobicContact CB-CD2 3.9Å; H389-L402 HydrophobicContact CB-CG 4.5Å; H389-L402 WeakPolarHBondContact ND1-CD2 3.48Å; L402-V404 PolarHBondContact O-N 3.14Å; L402-V404 VanDerWaalsContact O-N 3.09Å; L402-T405 CarbonylContact O-C 3.59Å; L402-T405 PolarHBondContact O-N 3.43Å; L402-T405 PolarHBondContact O-OG1 3.06Å; L402-Q406 HydrophobicContact CG-CB 4.3Å; L402-Q406 VanDerWaalsContact O-CB 3.3Å; L402-Q406 WeakPolarHBondContact O-CB 3.45Å; L402-Q406 PolarHBondContact O-N 2.81Å
403S98.3Very high92.7Very high77 Ų7769 Ų6954%0.53837%0.372SS..Hα-helixtrans-55.1-29.2179.549.80000113.2Q401 T405Q401-S403 PolarHBondContact O-N 3.25Å; S403-T405 VanDerWaalsContact C-N 3.33Å
404V98.5Very high89.8Confident50 Ų5074 Ų7430%0.30340%0.396SS..Hα-helixtrans-67.7-34.4177.9177.30000111.4F378 N382 Q401 L402 H407F378-V404 HydrophobicContact CB-CG1 3.63Å; F378-V404 HydrophobicContact CG-CG1 4.36Å; N382-V404 HydrophobicContact CB-CB 4.28Å; N382-V404 HydrophobicContact CB-CG1 4.3Å; Q401-V404 HydrophobicContact CB-CG2 4.06Å; Q401-V404 WeakPolarHBondContact O-CB 3.26Å; Q401-V404 PolarHBondContact O-N 3.16Å; Q401-V404 VanDerWaalsContact O-N 3.15Å; L402-V404 PolarHBondContact O-N 3.14Å; L402-V404 VanDerWaalsContact O-N 3.09Å; V404-H407 PolarHBondContact O-CE1 3.45Å; V404-H407 PolarHBondContact O-ND1 2.93Å; V404-H407 VanDerWaalsContact O-ND1 3.08Å
405T98.6Very high86.8Confident0 Ų073.1 Ų73.10%040%0.4CS..Hα-helixtrans-112.6-8.7-173.656.30000113.3F378 N382 L402 S403 H407 M408F378-T405 HydrophobicContact CD2-CG2 4Å; F378-T405 HydrophobicContact CE2-CG2 3.93Å; F378-T405 HydrophobicContact CZ-CG2 4.43Å; N382-T405 HydrophobicContact CB-CG2 3.87Å; L402-T405 CarbonylContact O-C 3.59Å; L402-T405 PolarHBondContact O-N 3.43Å; L402-T405 PolarHBondContact O-OG1 3.06Å; S403-T405 VanDerWaalsContact C-N 3.33Å; T405-H407 PolarHBondContact O-N 3.44Å; T405-H407 VanDerWaalsContact O-N 3.16Å; T405-M408 HydrophobicContact CG2-CE 4.01Å; T405-M408 HydrophobicContact CG2-SD 4.3Å; T405-M408 WeakPolarHBondContact O-CB 3.39Å; T405-M408 VanDerWaalsContact O-CG 3.24Å; T405-M408 WeakPolarHBondContact O-CG 3.41Å; T405-M408 PolarHBondContact O-N 3.38Å
406Q97.8Very high83.9Confident103 Ų10376.6 Ų76.648%0.48142%0.421SS..G310 helixtrans-59.2-33.2-175-172.7174.115.100113.1L402 M408 L409L402-Q406 HydrophobicContact CG-CB 4.3Å; L402-Q406 VanDerWaalsContact O-CB 3.3Å; L402-Q406 WeakPolarHBondContact O-CB 3.45Å; L402-Q406 PolarHBondContact O-N 2.81Å; Q406-M408 PolarHBondContact O-N 3.47Å; Q406-M408 VanDerWaalsContact O-N 3.17Å; Q406-L409 WeakPolarHBondContact O-CB 3.26Å; Q406-L409 PolarHBondContact O-N 3.38Å
407H97.9Very high80.8Confident100 Ų10079.1 Ų79.146%0.46343%0.433SS..G310 helixtrans-67-11.4178.869.2-88.2000113.5H370 V375 V404 T405 L409H370-H407 PolarHBondContact CD2-O 3.39Å; V375-H407 VanDerWaalsContact CG1-NE2 3.29Å; V375-H407 WeakPolarHBondContact CG1-NE2 3.5Å; V404-H407 PolarHBondContact O-CE1 3.45Å; V404-H407 PolarHBondContact O-ND1 2.93Å; V404-H407 VanDerWaalsContact O-ND1 3.08Å; T405-H407 PolarHBondContact O-N 3.44Å; T405-H407 VanDerWaalsContact O-N 3.16Å; H407-L409 VanDerWaalsContact C-N 3.29Å
408M98.6Very high77.9Confident0 Ų078 Ų780%043%0.428CS..G310 helixtrans-77.2-17.6172.4-56.6172.9-175.900112.3V57 F362 F369 H370 V375 F378 L386 T405 Q406V57-M408 HydrophobicContact CG1-CB 4.2Å; V57-M408 HydrophobicContact CG1-CG 3.93Å; V57-M408 HydrophobicContact CG1-SD 4.27Å; V57-M408 HydrophobicContact CG2-CB 4.18Å; F362-M408 HydrophobicContact CE1-SD 4.07Å; F362-M408 HydrophobicContact CZ-SD 4.4Å; F369-M408 WeakPolarHBondContact CA-O 3.5Å; F369-M408 HydrophobicContact CD1-CB 4.17Å; F369-M408 HydrophobicContact CE1-CB 4.36Å; H370-M408 PolarHBondContact N-O 3.41Å; V375-M408 HydrophobicContact CG1-CG 4.24Å; V375-M408 HydrophobicContact CG2-CE 3.65Å; F378-M408 HydrophobicContact CD1-CE 3.66Å; F378-M408 HydrophobicContact CE1-CE 3.23Å; F378-M408 HydrophobicContact CE2-CE 4.49Å; F378-M408 HydrophobicContact CG-CE 4.45Å; F378-M408 HydrophobicContact CZ-CE 3.71Å; L386-M408 HydrophobicContact CD2-SD 4.44Å; T405-M408 HydrophobicContact CG2-CE 4.01Å; T405-M408 HydrophobicContact CG2-SD 4.3Å; T405-M408 WeakPolarHBondContact O-CB 3.39Å; T405-M408 VanDerWaalsContact O-CG 3.24Å; T405-M408 WeakPolarHBondContact O-CG 3.41Å; T405-M408 PolarHBondContact O-N 3.38Å; Q406-M408 PolarHBondContact O-N 3.47Å; Q406-M408 VanDerWaalsContact O-N 3.17Å
409L98.3Very high75.1Confident18 Ų1886 Ų869%0.09446%0.464CS..BIsolated β-bridgetrans-96.7140.4-171.7-59.3176.4000112.4A368 F369 H370 L386 H389 I390 Q406 H407 T411A368-L409 HydrophobicContact CB-CD2 4.13Å; A368-L409 CarbonylContact O-C 3.59Å; A368-L409 WeakPolarHBondContact O-CA 3.33Å; A368-L409 WeakPolarHBondContact O-CD2 3.48Å; F369-L409 HydrophobicContact CD1-CD2 3.89Å; F369-L409 HydrophobicContact CE1-CD2 3.79Å; F369-L409 HydrophobicContact CZ-CD2 4.38Å; H370-L409 PolarHBondContact CD2-O 2.91Å; H370-L409 PolarHBondContact NE2-O 3.39Å; L386-L409 HydrophobicContact CD1-CD1 3.94Å; L386-L409 HydrophobicContact CD1-CD2 3.85Å; L386-L409 HydrophobicContact CD1-CG 3.97Å; H389-L409 WeakPolarHBondContact CD2-CD1 3.38Å; I390-L409 HydrophobicContact CD1-CD2 4.14Å; I390-L409 HydrophobicContact CG1-CD2 4.06Å; Q406-L409 WeakPolarHBondContact O-CB 3.26Å; Q406-L409 PolarHBondContact O-N 3.38Å; H407-L409 VanDerWaalsContact C-N 3.29Å; L409-T411 PolarHBondContact O-N 3.18Å
410V95.1Very high72.4Confident51 Ų5186 Ų8631%0.30948%0.476SS..PPolyproline II helixtrans-70.2126.9172.2-61.50000110.2P367 A368 S412P367-V410 WeakPolarHBondContact O-CG2 3.41Å; A368-V410 PolarHBondContact O-N 2.55Å; V410-S412 PolarHBondContact O-N 3.34Å
411T78.5Confident69.8Low98 Ų9891.2 Ų91.260%0.60150%0.497SS*.PPolyproline II helixtrans-60.7138.1166.720.20000110.1L409 K413 Q414L409-T411 PolarHBondContact O-N 3.18Å; T411-K413 PolarHBondContact O-N 3.22Å; T411-Q414 PolarHBondContact O-N 3.29Å
412S56.4Low67.1Low104 Ų10489.4 Ų89.473%0.72749%0.494SS*.THydrogen-bonded Turntrans-55.9-2.8-177.560.90000116.5V410V410-S412 PolarHBondContact O-N 3.34Å
413K44.8Very low64.5Low198 Ų19897.4 Ų97.486%0.86152%0.521SS*.THydrogen-bonded Turntrans-91-6.6174-74.1-175.5175.7179.20114.4T411T411-K413 PolarHBondContact O-N 3.22Å
414Q36.5Very low62.2Low116 Ų11698 Ų9854%0.54252%0.519SS..  trans-105.518.2-172.7-105.1-177.9-5.300115T411 T416T411-Q414 PolarHBondContact O-N 3.29Å; Q414-T416 VanDerWaalsContact C-N 3.27Å; Q414-T416 PolarHBondContact O-N 3.03Å
415T37Very low59.6Low124 Ų124103.7 Ų103.776%0.76154%0.539SS*.  trans-67.994.6157.315.50000108Q417T415-Q417 PolarHBondContact O-N 2.88Å
416T37Very low57.3Low130 Ų130112.9 Ų112.980%0.79857%0.574SS**  trans-49.3109.4167.942.80000108.9Q414Q414-T416 VanDerWaalsContact C-N 3.27Å; Q414-T416 PolarHBondContact O-N 3.03Å
417Q32.5Very low55Low125 Ų125114.7 Ų114.758%0.58458%0.581SS**  trans-61.3129.8162-73.8-153.7-18.100107.9T415 E419T415-Q417 PolarHBondContact O-N 2.88Å; Q417-E419 PolarHBondContact O-N 3.14Å
418P38.1Very low52.9Low93 Ų93115 Ų11560%0.60459%0.586SS**  trans-61.7132.5160.54.95.9000107.3G420 E421P418-G420 PolarHBondContact O-N 3.34Å; P418-E421 PolarHBondContact O-N 3.06Å
419E39.9Very low51Low200 Ų200116.8 Ų116.894%0.93560%0.604SS**THydrogen-bonded Turntrans-58.210.8-176.8-71.5-176.8144.600115.5Q417Q417-E419 PolarHBondContact O-N 3.14Å
420G41.4Very low49.7Very low49 Ų49123 Ų12351%0.50563%0.63SS.*THydrogen-bonded Turntrans-98.1-18178.600000116.5P418P418-G420 PolarHBondContact O-N 3.34Å
421E43Very low48.4Very low119 Ų119125.8 Ų125.856%0.55664%0.642SS**SBendtrans-87.6-27.7-169.1-81.8-166.215700115.5P418 R423 N424 F425P418-E421 PolarHBondContact O-N 3.06Å; E421-R423 PolarHBondContact O-N 2.9Å; E421-N424 PolarHBondContact O-N 3.47Å; E421-F425 PolarHBondContact O-N 3.26Å; E421-F425 VanDerWaalsContact O-N 3.11Å
422T42.5Very low47.8Very low80 Ų80123 Ų12349%0.49163%0.632SS.*Hα-helixtrans-58.9-33178.1430000111.8N424 F425 W426T422-N424 VanDerWaalsContact C-N 3.34Å; T422-N424 PolarHBondContact O-N 2.77Å; T422-F425 PolarHBondContact O-N 2.94Å; T422-W426 VanDerWaalsContact O-CD1 3.29Å; T422-W426 PolarHBondContact O-N 3.43Å
423R43.8Very low48.3Very low210 Ų210124.1 Ų124.179%0.79263%0.63SS**Hα-helixtrans-69.9-29.2177.9-136.6176.4-173.1178.32.7113.3E421 K427E421-R423 PolarHBondContact O-N 2.9Å; R423-K427 PolarHBondContact O-N 2.8Å
424N49.6Very low49.6Very low91 Ų91117.6 Ų117.649%0.48761%0.613SS.*Hα-helixtrans-82.4-31.5177.7-76.6-20.7000112.3E421 T422 K427 N428E421-N424 PolarHBondContact O-N 3.47Å; T422-N424 VanDerWaalsContact C-N 3.34Å; T422-N424 PolarHBondContact O-N 2.77Å; N424-K427 PolarHBondContact O-N 3.31Å; N424-N428 VanDerWaalsContact O-CB 3.29Å; N424-N428 WeakPolarHBondContact O-CB 3.13Å; N424-N428 PolarHBondContact O-N 3.39Å; N424-N428 PolarHBondContact O-ND2 2.85Å
425F45.3Very low51.1Low168 Ų168115.1 Ų115.174%0.73761%0.612SS**Hα-helixtrans-63.8-45.7176.6-161.6-92.3000112E421 T422 G429E421-F425 PolarHBondContact O-N 3.26Å; E421-F425 VanDerWaalsContact O-N 3.11Å; T422-F425 PolarHBondContact O-N 2.94Å; F425-G429 PolarHBondContact O-N 3.01Å
426W48.6Very low52.8Low193 Ų193113.4 Ų113.473%0.73160%0.601SS**Hα-helixtrans-66.3-38175.6-76.194.8000112.5T422 F430T422-W426 VanDerWaalsContact O-CD1 3.29Å; T422-W426 PolarHBondContact O-N 3.43Å; W426-F430 WeakPolarHBondContact O-CB 3.46Å; W426-F430 PolarHBondContact O-N 3.32Å
427K49.3Very low54.5Low141 Ų141109.4 Ų109.461%0.61358%0.582SS**Hα-helixtrans-64.8-47.8175.3-104-177.9172.8-177.60112.3R423 N424 F430 I431R423-K427 PolarHBondContact O-N 2.8Å; N424-K427 PolarHBondContact O-N 3.31Å; K427-F430 PolarHBondContact O-N 2.7Å; K427-I431 VanDerWaalsContact O-CG1 3.24Å; K427-I431 WeakPolarHBondContact O-CG1 3.34Å; K427-I431 PolarHBondContact O-N 3.25Å
428N54Low56.7Low108 Ų108104.9 Ų104.958%0.57857%0.569SS**Hα-helixtrans-69.1-36.6-179.4-68.3-12.3000111.3N424 I431 G432N424-N428 VanDerWaalsContact O-CB 3.29Å; N424-N428 WeakPolarHBondContact O-CB 3.13Å; N424-N428 PolarHBondContact O-N 3.39Å; N424-N428 PolarHBondContact O-ND2 2.85Å; N428-I431 PolarHBondContact O-N 2.75Å; N428-G432 PolarHBondContact O-N 3.46Å
429G60.3Low58.6Low36 Ų36107 Ų10737%0.37157%0.569SS.*Hα-helixtrans-61.8-43170.500000112.6F425 G432 L433F425-G429 PolarHBondContact O-N 3.01Å; G429-G432 PolarHBondContact O-N 2.83Å; G429-L433 WeakPolarHBondContact O-CB 3.49Å; G429-L433 PolarHBondContact O-N 2.88Å
430F69.5Low60.5Low149 Ų149102.5 Ų102.565%0.65455%0.55SS**Hα-helixtrans-65.5-42175.4-120.6-88.5000112.6W426 K427 L433 A434W426-F430 WeakPolarHBondContact O-CB 3.46Å; W426-F430 PolarHBondContact O-N 3.32Å; K427-F430 PolarHBondContact O-N 2.7Å; F430-L433 PolarHBondContact O-N 2.86Å; F430-A434 WeakPolarHBondContact O-CB 3.37Å; F430-A434 PolarHBondContact O-N 3.11Å
431I68.1Low62.3Low110 Ų110105.5 Ų105.556%0.56455%0.554SS**Hα-helixtrans-65.2-42.4177.6-67.8164000110.2K427 N428 A434 A435K427-I431 VanDerWaalsContact O-CG1 3.24Å; K427-I431 WeakPolarHBondContact O-CG1 3.34Å; K427-I431 PolarHBondContact O-N 3.25Å; N428-I431 PolarHBondContact O-N 2.75Å; I431-A434 PolarHBondContact O-N 2.95Å; I431-A435 WeakPolarHBondContact O-CB 3.37Å; I431-A435 PolarHBondContact O-N 3.38Å
432G65.3Low64Low38 Ų38104.8 Ų104.839%0.39255%0.553SS.*Hα-helixtrans-62.1-47.517500000112.6N428 G429 A434 A435 V436N428-G432 PolarHBondContact O-N 3.46Å; G429-G432 PolarHBondContact O-N 2.83Å; G432-A434 PolarHBondContact O-N 3.32Å; G432-A435 PolarHBondContact O-N 3.28Å; G432-V436 WeakPolarHBondContact O-CG2 2.92Å; G432-V436 PolarHBondContact O-N 3.25Å
433L68.8Low65.8Low128 Ų128103.6 Ų103.667%0.6755%0.545SS*.Hα-helixtrans-63.4-40.8176.6-85.9157.6000112.4G429 F430 V436 A437G429-L433 WeakPolarHBondContact O-CB 3.49Å; G429-L433 PolarHBondContact O-N 2.88Å; F430-L433 PolarHBondContact O-N 2.86Å; L433-V436 PolarHBondContact O-N 3.43Å; L433-A437 WeakPolarHBondContact O-CB 3.38Å; L433-A437 PolarHBondContact O-N 3.48Å
434A70.4Confident67.5Low61 Ų61100.5 Ų100.550%0.50454%0.538SS..Hα-helixtrans-66.8-39177.100000112.2F430 I431 G432 A437 G438F430-A434 WeakPolarHBondContact O-CB 3.37Å; F430-A434 PolarHBondContact O-N 3.11Å; I431-A434 PolarHBondContact O-N 2.95Å; G432-A434 PolarHBondContact O-N 3.32Å; A434-A437 PolarHBondContact O-N 3.06Å; A434-G438 PolarHBondContact O-N 3.5Å
435A68.9Low68.9Low64 Ų6499.6 Ų99.653%0.52954%0.535SS..Hα-helixtrans-65.5-42.3175.900000111.9I431 G432 G438 F439I431-A435 WeakPolarHBondContact O-CB 3.37Å; I431-A435 PolarHBondContact O-N 3.38Å; G432-A435 PolarHBondContact O-N 3.28Å; A435-G438 PolarHBondContact O-N 3.19Å; A435-F439 WeakPolarHBondContact O-CB 3.44Å; A435-F439 PolarHBondContact O-N 3.3Å
436V72.1Confident70.6Confident88 Ų8894.9 Ų94.953%0.53352%0.521SS..Hα-helixtrans-65.5-44.3176173.40000111.1G432 L433 G438 F439 L440G432-V436 WeakPolarHBondContact O-CG2 2.92Å; G432-V436 PolarHBondContact O-N 3.25Å; L433-V436 PolarHBondContact O-N 3.43Å; V436-G438 PolarHBondContact O-N 3.24Å; V436-F439 PolarHBondContact O-N 3.37Å; V436-L440 HydrophobicContact CG1-CD1 3.99Å; V436-L440 HydrophobicContact CG1-CG 4.46Å; V436-L440 WeakPolarHBondContact O-CB 3.08Å; V436-L440 VanDerWaalsContact O-CG 3.31Å; V436-L440 WeakPolarHBondContact O-CG 3.02Å; V436-L440 PolarHBondContact O-N 3.21Å
437A74.2Confident71.8Confident47 Ų4789.6 Ų89.639%0.38851%0.506SS..Hα-helixtrans-61.6-44.3175.900000111.7L433 A434 F439 L440 I441L433-A437 WeakPolarHBondContact O-CB 3.38Å; L433-A437 PolarHBondContact O-N 3.48Å; A434-A437 PolarHBondContact O-N 3.06Å; A437-F439 PolarHBondContact O-N 3.13Å; A437-L440 PolarHBondContact O-N 3.2Å; A437-I441 VanDerWaalsContact O-CG1 3.29Å; A437-I441 WeakPolarHBondContact O-CG1 3.46Å; A437-I441 PolarHBondContact O-N 2.8Å
438G78.4Confident73.1Confident30 Ų3085.1 Ų85.131%0.30949%0.491SS..Hα-helixtrans-60.6-44.2175.900000112.6A434 A435 V436 I441 I442A434-G438 PolarHBondContact O-N 3.5Å; A435-G438 PolarHBondContact O-N 3.19Å; V436-G438 PolarHBondContact O-N 3.24Å; G438-I441 PolarHBondContact O-N 2.67Å; G438-I442 VanDerWaalsContact O-CG1 3.31Å; G438-I442 WeakPolarHBondContact O-CG1 3.48Å; G438-I442 PolarHBondContact O-N 3.33Å
439F78.2Confident74.2Confident137 Ų13783.4 Ų83.460%0.60148%0.484SS*.Hα-helixtrans-63.1-44.2176.4-175.9-99.7000112.2A435 V436 A437 I441 I442 V443A435-F439 WeakPolarHBondContact O-CB 3.44Å; A435-F439 PolarHBondContact O-N 3.3Å; V436-F439 PolarHBondContact O-N 3.37Å; A437-F439 PolarHBondContact O-N 3.13Å; F439-I441 VanDerWaalsContact C-N 3.34Å; F439-I441 PolarHBondContact O-N 3.01Å; F439-I442 PolarHBondContact O-N 3.19Å; F439-V443 HydrophobicContact CD1-CG2 4.1Å; F439-V443 HydrophobicContact CE1-CG2 3.74Å; F439-V443 HydrophobicContact CE2-CG2 4.4Å; F439-V443 HydrophobicContact CZ-CG2 3.9Å; F439-V443 WeakPolarHBondContact O-CG2 3.39Å; F439-V443 PolarHBondContact O-N 3.15Å
440L78.1Confident74.8Confident106 Ų10690.2 Ų90.256%0.55550%0.499SS*.Hα-helixtrans-64.2-38.3178-72.5172.6000112.3V436 A437 V443 F444V436-L440 HydrophobicContact CG1-CD1 3.99Å; V436-L440 HydrophobicContact CG1-CG 4.46Å; V436-L440 WeakPolarHBondContact O-CB 3.08Å; V436-L440 VanDerWaalsContact O-CG 3.31Å; V436-L440 WeakPolarHBondContact O-CG 3.02Å; V436-L440 PolarHBondContact O-N 3.21Å; A437-L440 PolarHBondContact O-N 3.2Å; L440-V443 PolarHBondContact O-N 3.35Å; L440-F444 WeakPolarHBondContact O-CB 3.46Å; L440-F444 PolarHBondContact O-N 2.75Å
441I80.5Confident75.1Confident112 Ų11291 Ų9157%0.57450%0.502SS*.Hα-helixtrans-61.6-50.4173.9-70.5167.1000109.8A437 G438 F439 V443 F444 T445A437-I441 VanDerWaalsContact O-CG1 3.29Å; A437-I441 WeakPolarHBondContact O-CG1 3.46Å; A437-I441 PolarHBondContact O-N 2.8Å; G438-I441 PolarHBondContact O-N 2.67Å; F439-I441 VanDerWaalsContact C-N 3.34Å; F439-I441 PolarHBondContact O-N 3.01Å; I441-V443 VanDerWaalsContact C-N 3.34Å; I441-V443 PolarHBondContact O-N 3.23Å; I441-F444 WeakPolarHBondContact O-CB 3.26Å; I441-F444 PolarHBondContact O-N 3.15Å; I441-F444 VanDerWaalsContact O-N 3.1Å; I441-T445 PolarHBondContact O-N 3.01Å; I441-T445 PolarHBondContact O-OG1 2.9Å
442I78.7Confident75.5Confident104 Ų10490.5 Ų90.553%0.53350%0.499SS..Hα-helixtrans-58.4-45.5179.5-68.5166.5000111.2G438 F439 F444 T445 V446G438-I442 VanDerWaalsContact O-CG1 3.31Å; G438-I442 WeakPolarHBondContact O-CG1 3.48Å; G438-I442 PolarHBondContact O-N 3.33Å; F439-I442 PolarHBondContact O-N 3.19Å; I442-F444 VanDerWaalsContact C-N 3.31Å; I442-F444 PolarHBondContact O-N 3.29Å; I442-T445 WeakPolarHBondContact CA-OG1 3.36Å; I442-T445 PolarHBondContact O-N 3Å; I442-T445 PolarHBondContact O-OG1 2.86Å; I442-V446 HydrophobicContact CG2-CG2 4.36Å; I442-V446 WeakPolarHBondContact O-CB 2.99Å; I442-V446 VanDerWaalsContact O-CG2 3.28Å; I442-V446 WeakPolarHBondContact O-CG2 3.45Å; I442-V446 PolarHBondContact O-N 3.03Å
443V79.4Confident75.8Confident55 Ų5593 Ų9333%0.33350%0.503SS..Hα-helixtrans-61-43.3177171.20000110.5F439 L440 I441 V446 L447F439-V443 HydrophobicContact CD1-CG2 4.1Å; F439-V443 HydrophobicContact CE1-CG2 3.74Å; F439-V443 HydrophobicContact CE2-CG2 4.4Å; F439-V443 HydrophobicContact CZ-CG2 3.9Å; F439-V443 WeakPolarHBondContact O-CG2 3.39Å; F439-V443 PolarHBondContact O-N 3.15Å; L440-V443 PolarHBondContact O-N 3.35Å; I441-V443 VanDerWaalsContact C-N 3.34Å; I441-V443 PolarHBondContact O-N 3.23Å; V443-V446 PolarHBondContact O-N 2.85Å; V443-L447 HydrophobicContact CG1-CD1 3.72Å; V443-L447 HydrophobicContact CG1-CG 4.32Å; V443-L447 WeakPolarHBondContact O-CB 3.42Å; V443-L447 WeakPolarHBondContact O-CG 3.02Å; V443-L447 PolarHBondContact O-N 2.88Å
444F79.6Confident75.8Confident144 Ų14493.9 Ų93.963%0.63250%0.501SS*.Hα-helixtrans-63.8-43.7177.2-175.3-97.4000112.4L440 I441 I442 L447 T448L440-F444 WeakPolarHBondContact O-CB 3.46Å; L440-F444 PolarHBondContact O-N 2.75Å; I441-F444 WeakPolarHBondContact O-CB 3.26Å; I441-F444 PolarHBondContact O-N 3.15Å; I441-F444 VanDerWaalsContact O-N 3.1Å; I442-F444 VanDerWaalsContact C-N 3.31Å; I442-F444 PolarHBondContact O-N 3.29Å; F444-L447 PolarHBondContact O-N 3.34Å; F444-T448 HydrophobicContact CD1-CG2 4.17Å; F444-T448 HydrophobicContact CD2-CG2 4.43Å; F444-T448 HydrophobicContact CE1-CG2 3.79Å; F444-T448 HydrophobicContact CE2-CG2 4.07Å; F444-T448 HydrophobicContact CG-CG2 4.48Å; F444-T448 HydrophobicContact CZ-CG2 3.73Å; F444-T448 WeakPolarHBondContact O-CB 3.33Å; F444-T448 WeakPolarHBondContact O-CG2 3.45Å; F444-T448 PolarHBondContact O-N 3.04Å; F444-T448 PolarHBondContact O-OG1 3.42Å
445T79.3Confident75.5Confident72 Ų7293.8 Ų93.844%0.44250%0.497SS..Hα-helixtrans-64.1-43.7176.27.20000111.5I441 I442 L447 T448 T449I441-T445 PolarHBondContact O-N 3.01Å; I441-T445 PolarHBondContact O-OG1 2.9Å; I442-T445 WeakPolarHBondContact CA-OG1 3.36Å; I442-T445 PolarHBondContact O-N 3Å; I442-T445 PolarHBondContact O-OG1 2.86Å; T445-L447 PolarHBondContact O-N 3.34Å; T445-T448 WeakPolarHBondContact CA-OG1 3.49Å; T445-T448 PolarHBondContact O-OG1 2.98Å; T445-T449 WeakPolarHBondContact O-CB 3.36Å; T445-T449 PolarHBondContact O-N 2.94Å; T445-T449 PolarHBondContact O-OG1 3.33Å
446V79.9Confident75.2Confident70 Ų7098.2 Ų98.242%0.42450%0.504SS..Hα-helixtrans-63.4-42.6178.8170.70000111.2I442 V443 R450I442-V446 HydrophobicContact CG2-CG2 4.36Å; I442-V446 WeakPolarHBondContact O-CB 2.99Å; I442-V446 VanDerWaalsContact O-CG2 3.28Å; I442-V446 WeakPolarHBondContact O-CG2 3.45Å; I442-V446 PolarHBondContact O-N 3.03Å; V443-V446 PolarHBondContact O-N 2.85Å; V446-R450 WeakPolarHBondContact O-CB 3.46Å; V446-R450 WeakPolarHBondContact O-CG 3.44Å; V446-R450 PolarHBondContact O-N 3.24Å
447L75.4Confident74.6Confident82 Ų82103 Ų10343%0.42951%0.513SS..Hα-helixtrans-69.7-42.1-179.6-70.6174.9000112.5V443 F444 T445 K451V443-L447 HydrophobicContact CG1-CD1 3.72Å; V443-L447 HydrophobicContact CG1-CG 4.32Å; V443-L447 WeakPolarHBondContact O-CB 3.42Å; V443-L447 WeakPolarHBondContact O-CG 3.02Å; V443-L447 PolarHBondContact O-N 2.88Å; F444-L447 PolarHBondContact O-N 3.34Å; T445-L447 PolarHBondContact O-N 3.34Å; L447-K451 WeakPolarHBondContact O-CB 3.14Å; L447-K451 PolarHBondContact O-N 3.46Å
448T76.3Confident73.8Confident47 Ų47107 Ų10729%0.28852%0.523SS..Hα-helixtrans-67-43.6176.248.30000111.5F444 T445 R450 K451 I452F444-T448 HydrophobicContact CD1-CG2 4.17Å; F444-T448 HydrophobicContact CD2-CG2 4.43Å; F444-T448 HydrophobicContact CE1-CG2 3.79Å; F444-T448 HydrophobicContact CE2-CG2 4.07Å; F444-T448 HydrophobicContact CG-CG2 4.48Å; F444-T448 HydrophobicContact CZ-CG2 3.73Å; F444-T448 WeakPolarHBondContact O-CB 3.33Å; F444-T448 WeakPolarHBondContact O-CG2 3.45Å; F444-T448 PolarHBondContact O-N 3.04Å; F444-T448 PolarHBondContact O-OG1 3.42Å; T445-T448 WeakPolarHBondContact CA-OG1 3.49Å; T445-T448 PolarHBondContact O-OG1 2.98Å; T448-R450 PolarHBondContact O-N 3.31Å; T448-K451 PolarHBondContact O-N 2.84Å; T448-K451 VanDerWaalsContact O-N 3.13Å; T448-I452 VanDerWaalsContact O-CG1 3.31Å; T448-I452 WeakPolarHBondContact O-CG1 3.11Å; T448-I452 PolarHBondContact O-N 2.68Å
449T76.8Confident72.7Confident71 Ų71111.1 Ų111.144%0.43654%0.538SS..Hα-helixtrans-62.4-43.3176.4-51.30000111.3T445 K451 I452 I453T445-T449 WeakPolarHBondContact O-CB 3.36Å; T445-T449 PolarHBondContact O-N 2.94Å; T445-T449 PolarHBondContact O-OG1 3.33Å; T449-K451 VanDerWaalsContact C-N 3.33Å; T449-K451 PolarHBondContact O-N 3.46Å; T449-I452 PolarHBondContact O-N 3.38Å; T449-I453 HydrophobicContact CG2-CD1 3.93Å; T449-I453 WeakPolarHBondContact O-CB 3.45Å; T449-I453 VanDerWaalsContact O-CG1 3.27Å; T449-I453 WeakPolarHBondContact O-CG1 3.43Å; T449-I453 PolarHBondContact O-N 2.87Å
450R73.8Confident71.4Confident180 Ų180113.1 Ų113.168%0.67955%0.546SS*.Hα-helixtrans-60.5-39.9173.1-87.1-177.8153.6164.5-4.2112.5V446 T448 K454V446-R450 WeakPolarHBondContact O-CB 3.46Å; V446-R450 WeakPolarHBondContact O-CG 3.44Å; V446-R450 PolarHBondContact O-N 3.24Å; T448-R450 PolarHBondContact O-N 3.31Å; R450-K454 WeakPolarHBondContact O-CB 3.39Å; R450-K454 PolarHBondContact O-N 3.05Å
451K75.3Confident70Confident165 Ų165116.5 Ų116.572%0.71756%0.557SS**Hα-helixtrans-67.6-40.6178.9-154.7179.1-176.8-173.90111.6L447 T448 T449 K454 S455L447-K451 WeakPolarHBondContact O-CB 3.14Å; L447-K451 PolarHBondContact O-N 3.46Å; T448-K451 PolarHBondContact O-N 2.84Å; T448-K451 VanDerWaalsContact O-N 3.13Å; T449-K451 VanDerWaalsContact C-N 3.33Å; T449-K451 PolarHBondContact O-N 3.46Å; K451-K454 PolarHBondContact O-N 3.07Å; K451-S455 WeakPolarHBondContact O-CB 3.21Å; K451-S455 PolarHBondContact O-N 3.13Å
452I75.4Confident68.5Low99 Ų99115.7 Ų115.751%0.50856%0.561SS.*Hα-helixtrans-65.7-44.2175.5-66.9165.9000111.1T448 T449 K454 S455 K456T448-I452 VanDerWaalsContact O-CG1 3.31Å; T448-I452 WeakPolarHBondContact O-CG1 3.11Å; T448-I452 PolarHBondContact O-N 2.68Å; T449-I452 PolarHBondContact O-N 3.38Å; I452-K454 VanDerWaalsContact C-N 3.33Å; I452-K454 PolarHBondContact O-N 2.96Å; I452-S455 PolarHBondContact O-N 2.76Å; I452-K456 PolarHBondContact O-N 3.15Å
453I72.2Confident67.2Low91 Ų91118 Ų11847%0.46757%0.574SS.*Hα-helixtrans-63.7-39.4176.7-68.7168.4000111T449 K456 R457T449-I453 HydrophobicContact CG2-CD1 3.93Å; T449-I453 WeakPolarHBondContact O-CB 3.45Å; T449-I453 VanDerWaalsContact O-CG1 3.27Å; T449-I453 WeakPolarHBondContact O-CG1 3.43Å; T449-I453 PolarHBondContact O-N 2.87Å; I453-K456 PolarHBondContact O-N 2.75Å; I453-R457 WeakPolarHBondContact O-CB 3.04Å; I453-R457 PolarHBondContact O-N 2.99Å
454K68.9Low65.5Low146 Ų146119.2 Ų119.264%0.63559%0.585SS**Hα-helixtrans-67.5-39.9177.3-159.7178.4-175-177.20112R450 K451 I452 R457 Q458R450-K454 WeakPolarHBondContact O-CB 3.39Å; R450-K454 PolarHBondContact O-N 3.05Å; K451-K454 PolarHBondContact O-N 3.07Å; I452-K454 VanDerWaalsContact C-N 3.33Å; I452-K454 PolarHBondContact O-N 2.96Å; K454-R457 PolarHBondContact O-N 3.12Å; K454-Q458 PolarHBondContact O-N 3.26Å
455S63.7Low63.7Low60 Ų60118.1 Ų118.142%0.4260%0.595SS.*Hα-helixtrans-63.3-44.9173.4158.80000112.1K451 I452 R457 Q458 N459K451-S455 WeakPolarHBondContact O-CB 3.21Å; K451-S455 PolarHBondContact O-N 3.13Å; I452-S455 PolarHBondContact O-N 2.76Å; S455-R457 VanDerWaalsContact C-N 3.33Å; S455-R457 PolarHBondContact O-N 2.72Å; S455-Q458 PolarHBondContact O-N 3.41Å; S455-N459 PolarHBondContact O-N 2.97Å
456K63.4Low62Low157 Ų157120.6 Ų120.668%0.68361%0.613SS**Hα-helixtrans-64.2-35.1175.2-77.2-172.8174.9-175.80112.8I452 I453 K460I452-K456 PolarHBondContact O-N 3.15Å; I453-K456 PolarHBondContact O-N 2.75Å; K456-K460 WeakPolarHBondContact O-CB 3.39Å; K456-K460 PolarHBondContact O-N 3.26Å; K456-K460 VanDerWaalsContact O-N 3.13Å
457R58.9Low59.9Low188 Ų188125.7 Ų125.771%0.70963%0.632SS**Hα-helixtrans-70.5-28174.1-86.4-177.6165.8177.5-3.6113.6I453 K454 S455I453-R457 WeakPolarHBondContact O-CB 3.04Å; I453-R457 PolarHBondContact O-N 2.99Å; K454-R457 PolarHBondContact O-N 3.12Å; S455-R457 VanDerWaalsContact C-N 3.33Å; S455-R457 PolarHBondContact O-N 2.72Å
458Q57.1Low58Low131 Ų131130.6 Ų130.661%0.61265%0.653SS**Hα-helixtrans-77.1-41.6174.5-80.6179.4-36.300111.8K454 S455 K460 K461 S462K454-Q458 PolarHBondContact O-N 3.26Å; S455-Q458 PolarHBondContact O-N 3.41Å; Q458-K460 VanDerWaalsContact C-N 3.29Å; Q458-K460 PolarHBondContact O-N 3.35Å; Q458-K461 PolarHBondContact O-N 2.71Å; Q458-K461 VanDerWaalsContact O-N 3.17Å; Q458-S462 PolarHBondContact O-N 3.13Å
459N54.8Low56.1Low116 Ų116137.5 Ų137.562%0.6268%0.682SS**Hα-helixtrans-68-25.9175-80.510.6000113.5S455 K461 S462S455-N459 PolarHBondContact O-N 2.97Å; N459-K461 VanDerWaalsContact C-N 3.33Å; N459-S462 PolarHBondContact O-OG 3.21Å
460K51.6Low54.2Low179 Ų179143.2 Ų143.278%0.77870%0.701SS**THydrogen-bonded Turntrans-81.4-10.8174.9-148.4177.8-174-176.80113.5K456 Q458K456-K460 WeakPolarHBondContact O-CB 3.39Å; K456-K460 PolarHBondContact O-N 3.26Å; K456-K460 VanDerWaalsContact O-N 3.13Å; Q458-K460 VanDerWaalsContact C-N 3.29Å; Q458-K460 PolarHBondContact O-N 3.35Å
461K49.5Very low52.4Low178 Ų178139.5 Ų139.577%0.77470%0.702SS**THydrogen-bonded Turntrans-98.9-10.6177.6-99.4-172.3172.8-169.60113.6Q458 N459Q458-K461 PolarHBondContact O-N 2.71Å; Q458-K461 VanDerWaalsContact O-N 3.17Å; N459-K461 VanDerWaalsContact C-N 3.33Å
462S49.6Very low50.6Low94 Ų94139.9 Ų139.966%0.65770%0.704SS**SBendtrans-89.7-1.7175.256.60000113.9Q458 N459Q458-S462 PolarHBondContact O-N 3.13Å; N459-S462 PolarHBondContact O-OG 3.21Å
463D50.3Low48.9Very low153 Ų153142.5 Ų142.582%0.81871%0.714SS**SBendtrans-114.917.2-174.3-125.58.6000113.3
464S43.8Very low47.4Very low81 Ų81143.7 Ų143.757%0.56673%0.726SS**  trans-132.193.3173.563.70000109.8
465S42.9Very low46.1Very low120 Ų120141.6 Ų141.684%0.83973%0.729SS**  trans-62.5143.7162.224.90000110.7
466P42.4Very low44.8Very low125 Ų125150.4 Ų150.481%0.81277%0.77SS**  trans-110.1117.3155.113.26.5000110.2
467E35.9Very low43.9Very low176 Ų176150.1 Ų150.182%0.82278%0.775SS**  trans-61147.6148.7-80.4174.615200109.7
468E34.9Very low43.1Very low185 Ų185148.1 Ų148.186%0.86478%0.778SS**  trans30.5127.3153.2-66.3-177.4142.600119.8
469E37.9Very low42.3Very low193 Ų193149 Ų14990%0.90279%0.787SS**  174.6147.292.5-156.2167.9-165.500111.7
470K36.3Very low41.6Very low191 Ų191150.9 Ų150.983%0.8380%0.797SS**  trans-70.3148.6177.1-71.5164.5174.51680111.6
471S35.3Very low41Very low102 Ų102149.2 Ų149.271%0.71380%0.798SS**  134133.2121.492.20000116.3
472K38.8Very low40.4Very low173 Ų173147.3 Ų147.375%0.75280%0.8SS**  trans76.8127.8136.8-79.5177.3173.7-175.80122.4
473Q38.1Very low39.7Very low154 Ų154151.1 Ų151.172%0.7281%0.81SS**  trans80.5103.6132.3-81.7176.8-66.800118.1
474T40.8Very low38.9Very low116 Ų116150.9 Ų150.971%0.71281%0.809SS**  82.4123.985.548.30000115.1
475S41.2Very low38.5Very low101 Ų101156.8 Ų156.871%0.70683%0.83SS**  trans56.4111.4142.862.40000119.8
476L37.8Very low38.1Very low245 Ų245160.1 Ų160.1100%1.28383%0.829SS**  -170.5093.6-103.2157.5000110.2

Retrieved 476 of 476 residues in 812.4 ms (Link to these results)

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