A0A060XH83_ONCMY Loading...

DnaJ homolog subfamily B member 11

As a co-chaperone for HSPA5 it is required for proper folding, trafficking or degradation of proteins. Binds directly to both unfolded proteins that are substrates for ERAD and nascent unfolded peptide chains, but dissociates from the HSPA5-unfolded protein complex before folding is completed. May help recruiting HSPA5 and other chaperones to the substrate. Stimulates HSPA5 ATPase activity. It is necessary for maturation and correct trafficking of PKD1.

AlphaFold DB , UniProt , Accession A0A060XH83, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110520234, Length 361 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
1M44.8Very low48.9Very low250 Ų250125.8 Ų125.8100%1.23274%0.739SS**  01090-77174-179.800108.6
2A35.6Very low49.4Very low98 Ų98121.3 Ų121.381%0.8172%0.718SS**  trans179.499.2153.400000107.3K4A2-K4 PolarHBondContact O-N 3.19Å
3V43.7Very low49.6Very low147 Ų147118.6 Ų118.689%0.89171%0.708SS**  trans-62.9110.1170.21750000107.1G5V3-G5 PolarHBondContact O-N 3.32Å
4K45.8Very low49.9Very low203 Ų203117.5 Ų117.588%0.88370%0.696SS**  trans-76.9111168.2-98.2179.1175.7176.80107.4A2 M6A2-K4 PolarHBondContact O-N 3.19Å; K4-M6 PolarHBondContact O-N 3.34Å
5G45.3Very low50.3Low67 Ų67115 Ų11569%0.69168%0.682SS**PPolyproline II helixtrans-54123.9-176.400000112.3V3 N7V3-G5 PolarHBondContact O-N 3.32Å; G5-N7 PolarHBondContact O-N 3.37Å
6M48Very low50.4Low157 Ų157114.6 Ų114.677%0.77368%0.675SS**PPolyproline II helixtrans-59.4124.4161.5-90.1147.957.400108.4K4 L8 V11K4-M6 PolarHBondContact O-N 3.34Å; M6-L8 PolarHBondContact O-N 3.28Å; M6-V11 HydrophobicContact CB-CG2 3.89Å; M6-V11 HydrophobicContact CE-CG2 3.66Å
7N52.5Low50.3Low134 Ų134118.4 Ų118.472%0.71768%0.676SS**PPolyproline II helixtrans-56.1125.1176.1-109.4-25.8000109.8G5 G9 S10 V11G5-N7 PolarHBondContact O-N 3.37Å; N7-G9 PolarHBondContact O-N 3.29Å; N7-G9 VanDerWaalsContact O-N 3.1Å; N7-S10 PolarHBondContact O-N 2.89Å; N7-V11 PolarHBondContact O-N 3.49Å
8L54Low49.9Very low154 Ų154119.8 Ų119.881%0.80667%0.674SS**Hα-helixtrans-54.8-32.9-176.4-146.778000112.2M6 C12M6-L8 PolarHBondContact O-N 3.28Å; L8-C12 WeakPolarHBondContact O-CB 3.31Å; L8-C12 PolarHBondContact O-N 3.1Å
9G55.3Low49.7Very low49 Ų49117.3 Ų117.351%0.50566%0.661SS.*Hα-helixtrans-67.7-33.5175.200000114.4N7 C12 C13N7-G9 PolarHBondContact O-N 3.29Å; N7-G9 VanDerWaalsContact O-N 3.1Å; G9-C12 PolarHBondContact O-N 3.07Å; G9-C13 WeakPolarHBondContact O-CB 3.23Å; G9-C13 PolarHBondContact O-N 2.88Å; G9-C13 PolarHBondContact O-SG 2.99Å
10S55.1Low49.2Very low73 Ų73114.7 Ų114.751%0.5166%0.655SS.*Hα-helixtrans-77.7-32.1179.9-1520000111.9N7 L14N7-S10 PolarHBondContact O-N 2.89Å; S10-L14 WeakPolarHBondContact O-CB 3.4Å; S10-L14 WeakPolarHBondContact O-CG 3.32Å; S10-L14 PolarHBondContact O-N 2.96Å; S10-L14 VanDerWaalsContact O-N 3.07Å
11V58.4Low48.8Very low52 Ų52112.4 Ų112.432%0.31565%0.65SS.*Hα-helixtrans-70.7-40.8171.6-177.50000110.1M6 N7 L14 V15M6-V11 HydrophobicContact CB-CG2 3.89Å; M6-V11 HydrophobicContact CE-CG2 3.66Å; N7-V11 PolarHBondContact O-N 3.49Å; V11-L14 PolarHBondContact O-N 2.84Å; V11-V15 HydrophobicContact CG1-CG2 4.18Å; V11-V15 VanDerWaalsContact O-CB 3.31Å; V11-V15 WeakPolarHBondContact O-CB 3.48Å; V11-V15 WeakPolarHBondContact O-CG2 3.17Å; V11-V15 PolarHBondContact O-N 3.36Å
12C54.2Low48.7Very low72 Ų72106.3 Ų106.349%0.48663%0.627SS.*Hα-helixtrans-66.3-39.4177.4-1540000112.1L8 G9 L16L8-C12 WeakPolarHBondContact O-CB 3.31Å; L8-C12 PolarHBondContact O-N 3.1Å; G9-C12 PolarHBondContact O-N 3.07Å; C12-L16 VanDerWaalsContact O-CB 3.23Å; C12-L16 WeakPolarHBondContact O-CB 3.49Å; C12-L16 WeakPolarHBondContact O-CD1 3.28Å; C12-L16 WeakPolarHBondContact O-CG 3.41Å; C12-L16 PolarHBondContact O-N 3.42Å
13C52.3Low48.9Very low86 Ų86108.3 Ų108.358%0.58162%0.623SS**Hα-helixtrans-67.7-38.1173.2-74.90000113.3G9 Y17G9-C13 WeakPolarHBondContact O-CB 3.23Å; G9-C13 PolarHBondContact O-N 2.88Å; G9-C13 PolarHBondContact O-SG 2.99Å; C13-Y17 VanDerWaalsContact O-CB 3.28Å; C13-Y17 WeakPolarHBondContact O-CB 3.39Å; C13-Y17 PolarHBondContact O-N 3.21Å
14L53.9Low49Very low103 Ų103104.9 Ų104.954%0.53961%0.61SS.*Hα-helixtrans-69.7-38175.2-84.7163.6000112.2S10 V11 Y17 F18S10-L14 WeakPolarHBondContact O-CB 3.4Å; S10-L14 WeakPolarHBondContact O-CG 3.32Å; S10-L14 PolarHBondContact O-N 2.96Å; S10-L14 VanDerWaalsContact O-N 3.07Å; V11-L14 PolarHBondContact O-N 2.84Å; L14-Y17 PolarHBondContact O-N 3.13Å; L14-F18 WeakPolarHBondContact O-CB 3.43Å; L14-F18 PolarHBondContact O-N 2.98Å
15V56.2Low49.5Very low80 Ų8098 Ų9849%0.48560%0.597SS.*Hα-helixtrans-69.4-40.3174172.80000110.4V11 Y17 F18 V19V11-V15 HydrophobicContact CG1-CG2 4.18Å; V11-V15 VanDerWaalsContact O-CB 3.31Å; V11-V15 WeakPolarHBondContact O-CB 3.48Å; V11-V15 WeakPolarHBondContact O-CG2 3.17Å; V11-V15 PolarHBondContact O-N 3.36Å; V15-Y17 VanDerWaalsContact C-N 3.33Å; V15-Y17 PolarHBondContact O-N 3.11Å; V15-F18 PolarHBondContact O-N 2.88Å; V15-V19 HydrophobicContact CG1-CG2 4.1Å; V15-V19 VanDerWaalsContact O-CB 3.24Å; V15-V19 WeakPolarHBondContact O-CB 2.97Å; V15-V19 WeakPolarHBondContact O-CG2 3.28Å; V15-V19 PolarHBondContact O-N 2.92Å
16L51.2Low50.5Low109 Ų109100.2 Ų100.257%0.57158%0.584SS**Hα-helixtrans-65-35.1173.2-78.2164000112.2C12 A20C12-L16 VanDerWaalsContact O-CB 3.23Å; C12-L16 WeakPolarHBondContact O-CB 3.49Å; C12-L16 WeakPolarHBondContact O-CD1 3.28Å; C12-L16 WeakPolarHBondContact O-CG 3.41Å; C12-L16 PolarHBondContact O-N 3.42Å; L16-A20 WeakPolarHBondContact O-CB 3.35Å; L16-A20 PolarHBondContact O-N 3.02Å
17Y48.5Very low52.2Low179 Ų17994.6 Ų94.670%0.70256%0.557SS**Hα-helixtrans-71.1-39.2174.8-159.6-93.5000112.1C13 L14 V15 A20 A21C13-Y17 VanDerWaalsContact O-CB 3.28Å; C13-Y17 WeakPolarHBondContact O-CB 3.39Å; C13-Y17 PolarHBondContact O-N 3.21Å; L14-Y17 PolarHBondContact O-N 3.13Å; V15-Y17 VanDerWaalsContact C-N 3.33Å; V15-Y17 PolarHBondContact O-N 3.11Å; Y17-A20 PolarHBondContact O-N 3.34Å; Y17-A21 WeakPolarHBondContact O-CB 3.24Å; Y17-A21 PolarHBondContact O-N 3.2Å
18F44.3Very low53.9Low143 Ų14388.6 Ų88.663%0.62753%0.525SS*.Hα-helixtrans-70.3-37.8173.3-101.7-88.8000112.5L14 V15 A21 V22L14-F18 WeakPolarHBondContact O-CB 3.43Å; L14-F18 PolarHBondContact O-N 2.98Å; V15-F18 PolarHBondContact O-N 2.88Å; F18-A21 PolarHBondContact O-N 2.98Å; F18-V22 WeakPolarHBondContact O-CB 3.22Å; F18-V22 VanDerWaalsContact O-CG2 3.24Å; F18-V22 WeakPolarHBondContact O-CG2 3.23Å; F18-V22 PolarHBondContact O-N 3.02Å
19V45Very low55.5Low73 Ų7381.6 Ų81.644%0.44249%0.488SS..Hα-helixtrans-67.2-37.4174.3170.90000110.5V15 V22 L23V15-V19 HydrophobicContact CG1-CG2 4.1Å; V15-V19 VanDerWaalsContact O-CB 3.24Å; V15-V19 WeakPolarHBondContact O-CB 2.97Å; V15-V19 WeakPolarHBondContact O-CG2 3.28Å; V15-V19 PolarHBondContact O-N 2.92Å; V19-V22 PolarHBondContact O-N 2.88Å; V19-L23 HydrophobicContact CG1-CD1 3.88Å; V19-L23 WeakPolarHBondContact O-CB 3.41Å; V19-L23 WeakPolarHBondContact O-CD1 3.1Å; V19-L23 PolarHBondContact O-N 2.9Å
20A40.3Very low57.1Low65 Ų6586.9 Ų86.954%0.53750%0.497SS..Hα-helixtrans-68-31.3172.900000113.3L16 Y17L16-A20 WeakPolarHBondContact O-CB 3.35Å; L16-A20 PolarHBondContact O-N 3.02Å; Y17-A20 PolarHBondContact O-N 3.34Å
21A40.4Very low58.5Low67 Ų6785.9 Ų85.955%0.55449%0.485SS*.Hα-helixtrans-77.2-29.7175.800000113.2Y17 F18Y17-A21 WeakPolarHBondContact O-CB 3.24Å; Y17-A21 PolarHBondContact O-N 3.2Å; F18-A21 PolarHBondContact O-N 2.98Å
22V41.9Very low59.9Low122 Ų12283.5 Ų83.574%0.73947%0.471SS*.Hα-helixtrans-81-17.7177.8173.20000112.4F18 V19F18-V22 WeakPolarHBondContact O-CB 3.22Å; F18-V22 VanDerWaalsContact O-CG2 3.24Å; F18-V22 WeakPolarHBondContact O-CG2 3.23Å; F18-V22 PolarHBondContact O-N 3.02Å; V19-V22 PolarHBondContact O-N 2.88Å
23L40.3Very low61.5Low139 Ų13983.3 Ų83.373%0.72848%0.481SS*.THydrogen-bonded Turntrans-91.62.9177.2-83161.2000114.5V19 G25V19-L23 HydrophobicContact CG1-CD1 3.88Å; V19-L23 WeakPolarHBondContact O-CB 3.41Å; V19-L23 WeakPolarHBondContact O-CD1 3.1Å; V19-L23 PolarHBondContact O-N 2.9Å; L23-G25 PolarHBondContact O-N 3.45Å
24A45.8Very low63.3Low75 Ų7580.5 Ų80.562%0.6246%0.461SS*.  trans-8594175.600000109.6
25G56Low65Low58 Ų5878.8 Ų78.860%0.59846%0.458SS*.  trans-50.7155.516700000111.8L23 D27L23-G25 PolarHBondContact O-N 3.45Å; G25-D27 PolarHBondContact O-N 3.45Å
26R66.5Low66.4Low114 Ų11481.7 Ų81.743%0.4346%0.464SS..  trans-63.6123.6-173.5-64.1173.1175.9-163.1-9.3109.9F28 I31 D71 Y88 E93R26-F28 HydrophobicContact CB-CE1 4.35Å; R26-I31 HydrophobicContact CB-CD1 4.3Å; R26-D71 IonicContact CZ-OD1 3.62Å; R26-D71 VanDerWaalsContact CZ-OD1 3.23Å; R26-D71 IonicContact NH1-OD1 2.85Å; R26-D71 PolarHBondContact NH1-OD1 3.47Å; R26-D71 IonicContact NH2-OD1 3.97Å; R26-Y88 PolarHBondContact O-OH 3.3Å; R26-E93 WeakPolarHBondContact CB-OE2 3.49Å; R26-E93 PolarHBondContact N-OE2 2.95Å
27D83.4Confident68.1Low39 Ų3981.8 Ų81.821%0.20947%0.474CS..  trans-95.898.2179.1-168.2-18.2000109.5G25 Y29 K30 I31 Y88G25-D27 PolarHBondContact O-N 3.45Å; D27-Y29 PolarHBondContact O-N 2.73Å; D27-Y29 PolarHBondContact OD1-N 2.76Å; D27-K30 HydrophobicContact CB-CB 4.1Å; D27-K30 HydrophobicContact CB-CD 3.89Å; D27-K30 HydrophobicContact CB-CG 4.04Å; D27-K30 WeakPolarHBondContact O-CB 3.24Å; D27-K30 PolarHBondContact O-N 2.92Å; D27-K30 WeakPolarHBondContact OD2-CD 3.34Å; D27-K30 WeakPolarHBondContact OD2-CE 3.03Å; D27-K30 WeakPolarHBondContact OD2-CG 3.5Å; D27-K30 IonicContact OD2-NZ 2.92Å; D27-K30 PolarHBondContact OD2-NZ 3.2Å; D27-I31 WeakPolarHBondContact O-CG1 3.33Å; D27-I31 PolarHBondContact O-N 2.8Å; D27-Y88 WeakPolarHBondContact CA-OH 3.21Å
28F87.9Confident70Confident9 Ų973.6 Ų73.64%0.03944%0.443CS..Hα-helixtrans-61.5-29-174.9-65.7-38.6000112.7R26 I31 L32 A75 V78 L79 Y88 L96R26-F28 HydrophobicContact CB-CE1 4.35Å; F28-I31 HydrophobicContact CD1-CD1 3.99Å; F28-I31 PolarHBondContact O-N 2.89Å; F28-L32 PolarHBondContact O-N 3.49Å; F28-L32 VanDerWaalsContact O-N 3.07Å; F28-A75 HydrophobicContact CB-CB 3.77Å; F28-A75 HydrophobicContact CD1-CB 3.67Å; F28-A75 HydrophobicContact CG-CB 3.98Å; F28-V78 HydrophobicContact CD2-CB 3.96Å; F28-V78 HydrophobicContact CD2-CG1 3.85Å; F28-V78 HydrophobicContact CD2-CG2 4.29Å; F28-V78 HydrophobicContact CE2-CB 3.98Å; F28-V78 HydrophobicContact CE2-CG1 3.96Å; F28-V78 HydrophobicContact CE2-CG2 3.8Å; F28-V78 HydrophobicContact CZ-CG2 4.39Å; F28-L79 HydrophobicContact CB-CD1 3.74Å; F28-L79 HydrophobicContact CB-CG 4.01Å; F28-Y88 HydrophobicContact CB-CE1 4.06Å; F28-Y88 HydrophobicContact CD2-CD1 4.11Å; F28-Y88 AromaticContact CD2-CD2 3.58Å; F28-Y88 HydrophobicContact CD2-CD2 3.58Å; F28-Y88 AromaticContact CD2-CE1 3.75Å; F28-Y88 HydrophobicContact CD2-CE1 3.75Å; F28-Y88 AromaticContact CD2-CE2 3.17Å; F28-Y88 HydrophobicContact CD2-CE2 3.17Å; F28-Y88 HydrophobicContact CD2-CG 4.02Å; F28-Y88 AromaticContact CD2-CZ 3.27Å; F28-Y88 AromaticContact CE2-CD2 3.6Å; F28-Y88 HydrophobicContact CE2-CD2 3.6Å; F28-Y88 AromaticContact CE2-CE2 3.34Å; F28-Y88 HydrophobicContact CE2-CE2 3.34Å; F28-Y88 HydrophobicContact CE2-CG 4.38Å; F28-Y88 AromaticContact CE2-CZ 3.94Å; F28-Y88 HydrophobicContact CG-CE1 4.29Å; F28-Y88 HydrophobicContact CG-CE2 4.09Å; F28-Y88 AromaticContact CG-CZ 3.8Å; F28-Y88 HydrophobicContact CZ-CE2 4.37Å; F28-Y88 PolarHBondContact N-OH 3.35Å; F28-L96 HydrophobicContact CE2-CD1 4.02Å
29Y89Confident72.2Confident6 Ų669.1 Ų69.12%0.02443%0.429CS..Hα-helixtrans-68.4-37.9174.7-66.1-77.9000111.8D27 G33 V34 K36 L79 R85 Y88 D89D27-Y29 PolarHBondContact O-N 2.73Å; D27-Y29 PolarHBondContact OD1-N 2.76Å; Y29-G33 PolarHBondContact O-N 3.01Å; Y29-V34 HydrophobicContact CD1-CG2 4.21Å; Y29-V34 PolarHBondContact O-N 2.82Å; Y29-K36 HydrophobicContact CD1-CG 4.28Å; Y29-K36 HydrophobicContact CD2-CD 4.49Å; Y29-K36 HydrophobicContact CD2-CG 3.84Å; Y29-K36 HydrophobicContact CE1-CB 4.43Å; Y29-K36 HydrophobicContact CE1-CG 4.5Å; Y29-K36 HydrophobicContact CE2-CG 4.05Å; Y29-K36 HydrophobicContact CG-CG 3.94Å; Y29-L79 HydrophobicContact CD1-CD1 3.69Å; Y29-L79 HydrophobicContact CD1-CD2 4.45Å; Y29-L79 HydrophobicContact CD2-CD1 4.38Å; Y29-L79 HydrophobicContact CD2-CD2 4.47Å; Y29-L79 HydrophobicContact CE1-CD1 3.78Å; Y29-L79 HydrophobicContact CE1-CD2 3.8Å; Y29-L79 HydrophobicContact CE1-CG 4.43Å; Y29-L79 HydrophobicContact CE2-CD1 4.48Å; Y29-L79 HydrophobicContact CE2-CD2 3.84Å; Y29-L79 HydrophobicContact CG-CD1 4.01Å; Y29-L79 VanDerWaalsContact CZ-CD2 3.47Å; Y29-R85 PolarHBondContact OH-NE 3.46Å; Y29-Y88 HydrophobicContact CD2-CE1 4.03Å; Y29-Y88 HydrophobicContact CE2-CD1 4.1Å; Y29-Y88 AromaticContact CE2-CE1 3.81Å; Y29-Y88 HydrophobicContact CE2-CE1 3.81Å; Y29-D89 VanDerWaalsContact CE2-OD1 3.23Å; Y29-D89 WeakPolarHBondContact CE2-OD1 3.45Å; Y29-D89 VanDerWaalsContact OH-CG 3.27Å; Y29-D89 PolarHBondContact OH-OD1 2.88Å; Y29-D89 PolarHBondContact OH-OD2 3.41Å; Y29-D89 VanDerWaalsContact OH-OD2 3.09Å
30K87.9Confident74.2Confident160 Ų16068.5 Ų68.570%0.69643%0.426SS*.Hα-helixtrans-71.4-37.4175.4-68.7179.9-172.3147.10112.1D27 G33D27-K30 HydrophobicContact CB-CB 4.1Å; D27-K30 HydrophobicContact CB-CD 3.89Å; D27-K30 HydrophobicContact CB-CG 4.04Å; D27-K30 WeakPolarHBondContact O-CB 3.24Å; D27-K30 PolarHBondContact O-N 2.92Å; D27-K30 WeakPolarHBondContact OD2-CD 3.34Å; D27-K30 WeakPolarHBondContact OD2-CE 3.03Å; D27-K30 WeakPolarHBondContact OD2-CG 3.5Å; D27-K30 IonicContact OD2-NZ 2.92Å; D27-K30 PolarHBondContact OD2-NZ 3.2Å; K30-G33 PolarHBondContact O-N 2.99Å; K30-G33 VanDerWaalsContact O-N 3.17Å
31I85.7Confident76.4Confident52 Ų5274.7 Ų74.727%0.26744%0.435SS..Hα-helixtrans-62.4-44.1176.9-67.6163.5000110.6R26 D27 F28 G33 D71 L72 A75R26-I31 HydrophobicContact CB-CD1 4.3Å; D27-I31 WeakPolarHBondContact O-CG1 3.33Å; D27-I31 PolarHBondContact O-N 2.8Å; F28-I31 HydrophobicContact CD1-CD1 3.99Å; F28-I31 PolarHBondContact O-N 2.89Å; I31-G33 VanDerWaalsContact C-N 3.29Å; I31-G33 PolarHBondContact O-N 2.8Å; I31-D71 HydrophobicContact CD1-CB 4.37Å; I31-D71 HydrophobicContact CG2-CB 4.49Å; I31-L72 HydrophobicContact CG2-CD1 4.43Å; I31-A75 HydrophobicContact CB-CB 4.2Å; I31-A75 HydrophobicContact CG2-CB 3.98Å
32L87Confident78.7Confident3 Ų374.8 Ų74.82%0.01643%0.427CS..Hα-helixtrans-79.6-9.1176.1-80.5163.8000113.9F28 V34 I43 A46 Y47 L50 L72 A75 L79F28-L32 PolarHBondContact O-N 3.49Å; F28-L32 VanDerWaalsContact O-N 3.07Å; L32-V34 VanDerWaalsContact C-N 3.29Å; L32-V34 HydrophobicContact CB-CG1 4.5Å; L32-V34 HydrophobicContact CB-CG2 3.78Å; L32-V34 PolarHBondContact O-N 3.28Å; L32-I43 HydrophobicContact CD1-CG2 4.01Å; L32-A46 WeakPolarHBondContact O-CB 3.48Å; L32-Y47 HydrophobicContact CD2-CD2 4.28Å; L32-L50 WeakPolarHBondContact O-CD1 3.4Å; L32-L72 HydrophobicContact CD2-CD1 3.65Å; L32-L72 HydrophobicContact CG-CD1 4.31Å; L32-A75 HydrophobicContact CD1-CB 3.8Å; L32-A75 HydrophobicContact CG-CB 3.92Å; L32-L79 HydrophobicContact CD1-CB 4.46Å; L32-L79 HydrophobicContact CD1-CD1 3.9Å
33G87.4Confident81Confident68 Ų6869 Ų6970%0.70139%0.391SS*.THydrogen-bonded Turntrans65.130.6-178.300000113.6Y29 K30 I31Y29-G33 PolarHBondContact O-N 3.01Å; K30-G33 PolarHBondContact O-N 2.99Å; K30-G33 VanDerWaalsContact O-N 3.17Å; I31-G33 VanDerWaalsContact C-N 3.29Å; I31-G33 PolarHBondContact O-N 2.8Å
34V90.3Very high83.3Confident26 Ų2667.2 Ų67.216%0.15838%0.378CS..  trans-118.1153.5-176.4-65.70000111.4Y29 L32 A38 I43 A46Y29-V34 HydrophobicContact CD1-CG2 4.21Å; Y29-V34 PolarHBondContact O-N 2.82Å; L32-V34 VanDerWaalsContact C-N 3.29Å; L32-V34 HydrophobicContact CB-CG1 4.5Å; L32-V34 HydrophobicContact CB-CG2 3.78Å; L32-V34 PolarHBondContact O-N 3.28Å; V34-A38 HydrophobicContact CB-CB 3.91Å; V34-A38 HydrophobicContact CG2-CB 4.34Å; V34-I43 HydrophobicContact CG2-CG1 4.16Å; V34-A46 HydrophobicContact CG1-CB 3.47Å; V34-A46 VanDerWaalsContact CG1-CB 3.47Å
35S89.4Confident85.4Confident68 Ų6870.5 Ų70.548%0.47638%0.378SS..  trans-72.6155.6175.673.30000111.8S37 A38S35-S37 PolarHBondContact O-N 3.48Å; S35-S37 VanDerWaalsContact O-N 3.16Å; S35-S37 PolarHBondContact OG-OG 3.06Å; S35-S37 VanDerWaalsContact OG-OG 3.13Å; S35-A38 WeakPolarHBondContact O-CB 3.49Å; S35-A38 PolarHBondContact O-N 3Å; S35-A38 PolarHBondContact OG-N 3.43Å
36K86.3Confident87Confident141 Ų14168.7 Ų68.761%0.61336%0.357SS*.THydrogen-bonded Turntrans-59.8-24.7174.7-67.1-167.7175.5-166.90113.7Y29 A38 R85Y29-K36 HydrophobicContact CD1-CG 4.28Å; Y29-K36 HydrophobicContact CD2-CD 4.49Å; Y29-K36 HydrophobicContact CD2-CG 3.84Å; Y29-K36 HydrophobicContact CE1-CB 4.43Å; Y29-K36 HydrophobicContact CE1-CG 4.5Å; Y29-K36 HydrophobicContact CE2-CG 4.05Å; Y29-K36 HydrophobicContact CG-CG 3.94Å; K36-A38 VanDerWaalsContact C-N 3.33Å; K36-R85 PolarHBondContact O-NH2 3.17Å
37S85.7Confident88.1Confident110 Ų11065.9 Ų65.977%0.76935%0.347SS*.THydrogen-bonded Turntrans-88.98.3174.8550000113.8S35S35-S37 PolarHBondContact O-N 3.48Å; S35-S37 VanDerWaalsContact O-N 3.16Å; S35-S37 PolarHBondContact OG-OG 3.06Å; S35-S37 VanDerWaalsContact OG-OG 3.13Å
38A88.7Confident88.3Confident8 Ų871 Ų717%0.06636%0.363CS..  trans-64.6140.7-178.300000111.8V34 S35 K36 D42 I43 R85V34-A38 HydrophobicContact CB-CB 3.91Å; V34-A38 HydrophobicContact CG2-CB 4.34Å; S35-A38 WeakPolarHBondContact O-CB 3.49Å; S35-A38 PolarHBondContact O-N 3Å; S35-A38 PolarHBondContact OG-N 3.43Å; K36-A38 VanDerWaalsContact C-N 3.33Å; A38-D42 HydrophobicContact CB-CB 4.29Å; A38-I43 HydrophobicContact CB-CG1 4.21Å; A38-R85 PolarHBondContact O-NH1 3.08Å; A38-R85 PolarHBondContact O-NH2 2.79Å
39S90.3Very high88.4Confident48 Ų4877.2 Ų77.234%0.33639%0.39SS..  trans-72.4156.9173.4730000110.8R41 D42 I43S39-R41 PolarHBondContact O-N 2.96Å; S39-R41 VanDerWaalsContact O-N 3.16Å; S39-D42 WeakPolarHBondContact CB-OD2 3.47Å; S39-D42 PolarHBondContact N-OD2 3.13Å; S39-D42 WeakPolarHBondContact O-CB 3.49Å; S39-D42 PolarHBondContact O-N 3.16Å; S39-D42 PolarHBondContact OG-N 3.38Å; S39-D42 PolarHBondContact OG-OD2 3.28Å; S39-I43 PolarHBondContact O-N 2.97Å
40V88.2Confident88.3Confident60 Ų6078.8 Ų78.836%0.36440%0.399SS..Hα-helixtrans-54.9-34.4175.3-1790000111.2D42 I43 K44V40-D42 PolarHBondContact O-N 2.92Å; V40-I43 PolarHBondContact O-N 2.63Å; V40-K44 WeakPolarHBondContact O-CB 3.45Å; V40-K44 PolarHBondContact O-N 2.95Å
41R86.8Confident88.1Confident195 Ų19571.8 Ų71.874%0.73637%0.371SS*.Hα-helixtrans-63.6-40.7175.4-171.4178.167-177.3-1112.4S39 K45S39-R41 PolarHBondContact O-N 2.96Å; S39-R41 VanDerWaalsContact O-N 3.16Å; R41-K45 WeakPolarHBondContact O-CB 3.38Å; R41-K45 PolarHBondContact O-N 3.07Å
42D88.6Confident88.1Confident70 Ų7074.7 Ų74.737%0.37439%0.387SS..Hα-helixtrans-70.9-38.2178.5-58.9-42000111.2A38 S39 V40 K45 A46A38-D42 HydrophobicContact CB-CB 4.29Å; S39-D42 WeakPolarHBondContact CB-OD2 3.47Å; S39-D42 PolarHBondContact N-OD2 3.13Å; S39-D42 WeakPolarHBondContact O-CB 3.49Å; S39-D42 PolarHBondContact O-N 3.16Å; S39-D42 PolarHBondContact OG-N 3.38Å; S39-D42 PolarHBondContact OG-OD2 3.28Å; V40-D42 PolarHBondContact O-N 2.92Å; D42-K45 PolarHBondContact O-N 2.82Å; D42-A46 WeakPolarHBondContact O-CB 3.08Å; D42-A46 PolarHBondContact O-N 3.04Å
43I90.1Very high87.8Confident0 Ų079.5 Ų79.50%041%0.409CS..Hα-helixtrans-60.4-49.1173.3-69.9159.2000110.6L32 V34 A38 S39 V40 K45 A46 Y47 Y76 L79L32-I43 HydrophobicContact CD1-CG2 4.01Å; V34-I43 HydrophobicContact CG2-CG1 4.16Å; A38-I43 HydrophobicContact CB-CG1 4.21Å; S39-I43 PolarHBondContact O-N 2.97Å; V40-I43 PolarHBondContact O-N 2.63Å; I43-K45 VanDerWaalsContact C-N 3.3Å; I43-K45 PolarHBondContact O-N 3.35Å; I43-A46 PolarHBondContact O-N 3.05Å; I43-Y47 WeakPolarHBondContact O-CB 3.5Å; I43-Y47 PolarHBondContact O-N 3.26Å; I43-Y76 HydrophobicContact CG2-CD2 4.08Å; I43-L79 HydrophobicContact CD1-CB 4.13Å; I43-L79 HydrophobicContact CG2-CB 4.15Å
44K88.6Confident87.5Confident102 Ų10278.6 Ų78.644%0.44339%0.388SS..Hα-helixtrans-64.1-33.1176.8-170.3172.7-175.5175.40112.9V40 R48 Y76V40-K44 WeakPolarHBondContact O-CB 3.45Å; V40-K44 PolarHBondContact O-N 2.95Å; K44-R48 WeakPolarHBondContact O-CG 3.22Å; K44-R48 PolarHBondContact O-N 3.08Å; K44-R48 PolarHBondContact O-NE 2.84Å; K44-Y76 HydrophobicContact CB-CE2 4.08Å; K44-Y76 HydrophobicContact CG-CE2 4.18Å
45K90.3Very high86.9Confident144 Ų14480.6 Ų80.663%0.62640%0.395SS*.Hα-helixtrans-70.4-43.6175.5-171.1-179.9-179.6179.70111.5R41 D42 I43 K49R41-K45 WeakPolarHBondContact O-CB 3.38Å; R41-K45 PolarHBondContact O-N 3.07Å; D42-K45 PolarHBondContact O-N 2.82Å; I43-K45 VanDerWaalsContact C-N 3.3Å; I43-K45 PolarHBondContact O-N 3.35Å; K45-K49 PolarHBondContact O-N 3.07Å
46A89.4Confident86.3Confident19 Ų1978.9 Ų78.916%0.15738%0.383CS..Hα-helixtrans-65.4-45177.900000111.8L32 V34 D42 I43 R48 K49 L50L32-A46 WeakPolarHBondContact O-CB 3.48Å; V34-A46 HydrophobicContact CG1-CB 3.47Å; V34-A46 VanDerWaalsContact CG1-CB 3.47Å; D42-A46 WeakPolarHBondContact O-CB 3.08Å; D42-A46 PolarHBondContact O-N 3.04Å; I43-A46 PolarHBondContact O-N 3.05Å; A46-R48 PolarHBondContact O-N 3.27Å; A46-K49 PolarHBondContact O-N 3.23Å; A46-L50 WeakPolarHBondContact O-CG 3.39Å; A46-L50 PolarHBondContact O-N 2.89Å
47Y89.8Confident85.9Confident56 Ų5678.6 Ų78.622%0.2239%0.388CS..Hα-helixtrans-55.9-52.2175.2176.2-107000111.9L32 I43 K49 L50 A51 L72 Y76L32-Y47 HydrophobicContact CD2-CD2 4.28Å; I43-Y47 WeakPolarHBondContact O-CB 3.5Å; I43-Y47 PolarHBondContact O-N 3.26Å; Y47-K49 VanDerWaalsContact C-N 3.28Å; Y47-K49 PolarHBondContact O-N 3.39Å; Y47-L50 PolarHBondContact O-N 3.09Å; Y47-A51 HydrophobicContact CE1-CB 4.49Å; Y47-A51 HydrophobicContact CE2-CB 4.46Å; Y47-A51 WeakPolarHBondContact O-CB 3.22Å; Y47-A51 PolarHBondContact O-N 3.44Å; Y47-L72 HydrophobicContact CD2-CD1 4.28Å; Y47-L72 HydrophobicContact CD2-CD2 4.18Å; Y47-L72 HydrophobicContact CD2-CG 3.79Å; Y47-L72 HydrophobicContact CE2-CD2 4.2Å; Y47-L72 HydrophobicContact CE2-CG 3.92Å; Y47-Y76 HydrophobicContact CD1-CD1 4.09Å; Y47-Y76 AromaticContact CD1-CD2 3.96Å; Y47-Y76 HydrophobicContact CD1-CD2 3.96Å; Y47-Y76 HydrophobicContact CD1-CE1 4.33Å; Y47-Y76 HydrophobicContact CD1-CE2 4.21Å; Y47-Y76 AromaticContact CD1-CG 3.9Å; Y47-Y76 HydrophobicContact CD1-CG 3.9Å; Y47-Y76 VanDerWaalsContact CD2-CB 3.41Å; Y47-Y76 HydrophobicContact CD2-CD1 4.41Å; Y47-Y76 HydrophobicContact CD2-CD2 4.18Å; Y47-Y76 AromaticContact CD2-CG 3.75Å; Y47-Y76 HydrophobicContact CD2-CG 3.75Å; Y47-Y76 HydrophobicContact CE1-CD1 4.08Å; Y47-Y76 HydrophobicContact CE1-CE1 4.37Å; Y47-Y76 HydrophobicContact CE1-CG 4.27Å; Y47-Y76 HydrophobicContact CE2-CD1 4.4Å; Y47-Y76 HydrophobicContact CE2-CG 4.14Å; Y47-Y76 HydrophobicContact CG-CD1 4.26Å; Y47-Y76 AromaticContact CG-CD2 3.64Å; Y47-Y76 HydrophobicContact CG-CD2 3.64Å; Y47-Y76 HydrophobicContact CG-CE2 4.28Å; Y47-Y76 AromaticContact CG-CG 3.62Å; Y47-Y76 HydrophobicContact CG-CG 3.62Å
48R87Confident85.5Confident145 Ų14581.5 Ų81.555%0.54738%0.382SS..Hα-helixtrans-58.4-39.5179.2-75.9-174.6-71.1-178.10.1112.8K44 A46 L52K44-R48 WeakPolarHBondContact O-CG 3.22Å; K44-R48 PolarHBondContact O-N 3.08Å; K44-R48 PolarHBondContact O-NE 2.84Å; A46-R48 PolarHBondContact O-N 3.27Å; R48-L52 WeakPolarHBondContact O-CD1 3.49Å; R48-L52 WeakPolarHBondContact O-CG 3.45Å; R48-L52 PolarHBondContact O-N 3Å
49K89.8Confident84.9Confident140 Ų14083.9 Ų83.961%0.60939%0.394SS*.Hα-helixtrans-66.5-45.6178.3-174.9-178.4176.4-173.40111.6K45 A46 Y47 Q53K45-K49 PolarHBondContact O-N 3.07Å; A46-K49 PolarHBondContact O-N 3.23Å; Y47-K49 VanDerWaalsContact C-N 3.28Å; Y47-K49 PolarHBondContact O-N 3.39Å; K49-Q53 WeakPolarHBondContact O-CG 3.27Å; K49-Q53 PolarHBondContact O-N 3.47Å
50L86.9Confident84Confident39 Ų3986.4 Ų86.420%0.20441%0.408CS..Hα-helixtrans-74.4-36.9-178.5-72.2169.4000112.2L32 A46 Y47 L52 Q53 L54 L72L32-L50 WeakPolarHBondContact O-CD1 3.4Å; A46-L50 WeakPolarHBondContact O-CG 3.39Å; A46-L50 PolarHBondContact O-N 2.89Å; Y47-L50 PolarHBondContact O-N 3.09Å; L50-L52 VanDerWaalsContact C-N 3.31Å; L50-L52 PolarHBondContact O-N 3.11Å; L50-Q53 PolarHBondContact O-N 2.8Å; L50-L54 WeakPolarHBondContact O-CB 3.4Å; L50-L54 PolarHBondContact O-N 2.89Å; L50-L72 HydrophobicContact CB-CD1 3.76Å; L50-L72 HydrophobicContact CB-CD2 3.69Å; L50-L72 HydrophobicContact CB-CG 4.4Å; L50-L72 HydrophobicContact CD1-CD1 3.82Å; L50-L72 HydrophobicContact CG-CD1 4.45Å
51A85.1Confident83.3Confident14 Ų1491 Ų9112%0.11643%0.431CS..Hα-helixtrans-63.1-38.4178.200000111.5Y47 Q53 H55 F69 L72Y47-A51 HydrophobicContact CE1-CB 4.49Å; Y47-A51 HydrophobicContact CE2-CB 4.46Å; Y47-A51 WeakPolarHBondContact O-CB 3.22Å; Y47-A51 PolarHBondContact O-N 3.44Å; A51-Q53 VanDerWaalsContact C-N 3.3Å; A51-Q53 PolarHBondContact O-N 2.84Å; A51-H55 WeakPolarHBondContact O-CB 3.23Å; A51-H55 PolarHBondContact O-N 3.22Å; A51-H55 VanDerWaalsContact O-N 3.13Å; A51-F69 HydrophobicContact CB-CE2 4.06Å; A51-L72 HydrophobicContact CB-CD2 4.03Å
52L83.7Confident82.8Confident113 Ų11384.5 Ų84.559%0.59241%0.411SS*.Hα-helixtrans-68.1-27.9173.1-76.2168.3000113.4R48 L50 R58R48-L52 WeakPolarHBondContact O-CD1 3.49Å; R48-L52 WeakPolarHBondContact O-CG 3.45Å; R48-L52 PolarHBondContact O-N 3Å; L50-L52 VanDerWaalsContact C-N 3.31Å; L50-L52 PolarHBondContact O-N 3.11Å; L52-R58 WeakPolarHBondContact O-CD 3.44Å; L52-R58 PolarHBondContact O-NH1 2.99Å
53Q82.4Confident82.1Confident103 Ų10386.8 Ų86.848%0.48143%0.43SS..Hα-helixtrans-85.8-36.6-178.8-73.5178.8-15.800112.2K49 L50 A51 N59K49-Q53 WeakPolarHBondContact O-CG 3.27Å; K49-Q53 PolarHBondContact O-N 3.47Å; L50-Q53 PolarHBondContact O-N 2.8Å; A51-Q53 VanDerWaalsContact C-N 3.3Å; A51-Q53 PolarHBondContact O-N 2.84Å; Q53-N59 PolarHBondContact O-ND2 3.01Å
54L79.4Confident81.4Confident50 Ų5089.6 Ų89.626%0.26245%0.447SS..Hα-helixtrans-99.68.1-175.1-65.2171.5000113.1L50 K68 F69 L72L50-L54 WeakPolarHBondContact O-CB 3.4Å; L50-L54 PolarHBondContact O-N 2.89Å; L54-K68 HydrophobicContact CD2-CD 4.47Å; L54-F69 HydrophobicContact CB-CD2 4.47Å; L54-L72 HydrophobicContact CD1-CD2 4.43Å
55H79.6Confident80.7Confident68 Ų6884.9 Ų84.932%0.31543%0.427SS..  trans-59133178.8-161.4-86.6000111A51 D57 R58 N59A51-H55 WeakPolarHBondContact O-CB 3.23Å; A51-H55 PolarHBondContact O-N 3.22Å; A51-H55 VanDerWaalsContact O-N 3.13Å; H55-D57 VanDerWaalsContact C-N 3.29Å; H55-D57 IonicContact CE1-OD1 3.92Å; H55-D57 IonicContact CE1-OD2 2.8Å; H55-D57 PolarHBondContact CE1-OD2 3.44Å; H55-D57 VanDerWaalsContact CE1-OD2 3.28Å; H55-D57 VanDerWaalsContact ND1-CB 3.35Å; H55-D57 WeakPolarHBondContact ND1-CB 3.32Å; H55-D57 PolarHBondContact ND1-N 3.32Å; H55-D57 VanDerWaalsContact ND1-N 3.18Å; H55-D57 IonicContact ND1-OD1 3.4Å; H55-D57 IonicContact ND1-OD2 2.88Å; H55-D57 PolarHBondContact O-N 3.23Å; H55-R58 PolarHBondContact O-N 3.19Å; H55-N59 PolarHBondContact O-N 3.29Å; H55-N59 PolarHBondContact O-ND2 2.89Å
56P76.6Confident80Confident32 Ų3280.7 Ų80.721%0.20842%0.419CS..G310 helixtrans-54.3-41.5179.4-28.235.4000113.4R58 N59P56-R58 PolarHBondContact O-N 2.9Å; P56-R58 VanDerWaalsContact O-N 3.15Å; P56-N59 CarbonylContact O-C 3.5Å; P56-N59 PolarHBondContact O-N 3.22Å
57D77.3Confident79.4Confident134 Ų13484.8 Ų84.872%0.71744%0.438SS*.G310 helixtrans-60.4-26.5178.2-61.70.6000114.5H55H55-D57 VanDerWaalsContact C-N 3.29Å; H55-D57 IonicContact CE1-OD1 3.92Å; H55-D57 IonicContact CE1-OD2 2.8Å; H55-D57 PolarHBondContact CE1-OD2 3.44Å; H55-D57 VanDerWaalsContact CE1-OD2 3.28Å; H55-D57 VanDerWaalsContact ND1-CB 3.35Å; H55-D57 WeakPolarHBondContact ND1-CB 3.32Å; H55-D57 PolarHBondContact ND1-N 3.32Å; H55-D57 VanDerWaalsContact ND1-N 3.18Å; H55-D57 IonicContact ND1-OD1 3.4Å; H55-D57 IonicContact ND1-OD2 2.88Å; H55-D57 PolarHBondContact O-N 3.23Å
58R77.3Confident78.9Confident172 Ų17286.3 Ų86.365%0.64945%0.446SS*.G310 helixtrans-93.4-15.4178.9-68.1-178.270.4176.19.2112.8L52 H55 P56L52-R58 WeakPolarHBondContact O-CD 3.44Å; L52-R58 PolarHBondContact O-NH1 2.99Å; H55-R58 PolarHBondContact O-N 3.19Å; P56-R58 PolarHBondContact O-N 2.9Å; P56-R58 VanDerWaalsContact O-N 3.15Å
59N75.3Confident78.7Confident58 Ų5881.7 Ų81.731%0.3143%0.43SS..  trans-128.358.7179.1-53.8-72.7000110.9Q53 H55 P56 D61 D62 A65Q53-N59 PolarHBondContact O-ND2 3.01Å; H55-N59 PolarHBondContact O-N 3.29Å; H55-N59 PolarHBondContact O-ND2 2.89Å; P56-N59 CarbonylContact O-C 3.5Å; P56-N59 PolarHBondContact O-N 3.22Å; N59-D61 PolarHBondContact O-N 2.62Å; N59-D62 PolarHBondContact O-N 3.09Å; N59-A65 HydrophobicContact CB-CB 4.11Å
60P71.8Confident78.2Confident100 Ų10075.9 Ų75.965%0.64941%0.408SS*.THydrogen-bonded Turntrans-67.1-18.3-177.428.5-35.9000113.4
61D74.4Confident78Confident156 Ų15675.9 Ų75.983%0.83441%0.408SS*.THydrogen-bonded Turntrans-93.5-8.5-176.3-58.2-43.9000113.9N59 P63N59-D61 PolarHBondContact O-N 2.62Å; D61-P63 WeakPolarHBondContact O-CD 3.48Å
62D75.1Confident78Confident59 Ų5975.2 Ų75.232%0.31640%0.403SS..  trans-98.6108177.6-176.3-0.2000110.4N59 T64 A65 K68N59-D62 PolarHBondContact O-N 3.09Å; D62-T64 VanDerWaalsContact CG-OG1 3.28Å; D62-T64 PolarHBondContact O-N 3.09Å; D62-T64 VanDerWaalsContact O-N 3.11Å; D62-T64 WeakPolarHBondContact OD1-CB 3.2Å; D62-T64 PolarHBondContact OD1-N 2.89Å; D62-T64 PolarHBondContact OD1-OG1 3.25Å; D62-T64 PolarHBondContact OD2-OG1 3.49Å; D62-A65 HydrophobicContact CB-CB 4.12Å; D62-A65 VanDerWaalsContact O-CB 3.32Å; D62-A65 WeakPolarHBondContact O-CB 3.49Å; D62-A65 PolarHBondContact O-N 3.21Å; D62-A65 VanDerWaalsContact O-N 3.09Å; D62-K68 IonicContact OD2-NZ 3.58Å; D62-K68 PolarHBondContact OD2-NZ 3.43Å
63P74.3Confident77.9Confident119 Ų11970.5 Ų70.577%0.77338%0.382SS*.THydrogen-bonded Turntrans-65.7-14.9179.327.9-34.7000113.2D61D61-P63 WeakPolarHBondContact O-CD 3.48Å
64T76.4Confident78Confident58 Ų5865.9 Ų65.936%0.35636%0.361SS..THydrogen-bonded Turntrans-95.8-0.6177.666.60000113.4D62 A66 D67 K68D62-T64 VanDerWaalsContact CG-OG1 3.28Å; D62-T64 PolarHBondContact O-N 3.09Å; D62-T64 VanDerWaalsContact O-N 3.11Å; D62-T64 WeakPolarHBondContact OD1-CB 3.2Å; D62-T64 PolarHBondContact OD1-N 2.89Å; D62-T64 PolarHBondContact OD1-OG1 3.25Å; D62-T64 PolarHBondContact OD2-OG1 3.49Å; T64-A66 VanDerWaalsContact C-N 3.34Å; T64-A66 PolarHBondContact O-N 3.11Å; T64-D67 PolarHBondContact O-N 3.4Å; T64-K68 VanDerWaalsContact O-CG 3.29Å; T64-K68 WeakPolarHBondContact O-CG 3.32Å; T64-K68 PolarHBondContact O-N 3.07Å; T64-K68 VanDerWaalsContact O-N 3.09Å; T64-K68 VanDerWaalsContact OG1-CE 3.23Å; T64-K68 WeakPolarHBondContact OG1-CE 3.42Å; T64-K68 PolarHBondContact OG1-NZ 3.15Å
65A73.4Confident78.4Confident3 Ų363.5 Ų63.53%0.02535%0.348CS..Hα-helixtrans-64.7-37.9179.800000112.3N59 D62 K68 F69N59-A65 HydrophobicContact CB-CB 4.11Å; D62-A65 HydrophobicContact CB-CB 4.12Å; D62-A65 VanDerWaalsContact O-CB 3.32Å; D62-A65 WeakPolarHBondContact O-CB 3.49Å; D62-A65 PolarHBondContact O-N 3.21Å; D62-A65 VanDerWaalsContact O-N 3.09Å; A65-K68 PolarHBondContact O-N 3.13Å; A65-F69 VanDerWaalsContact O-CB 3.3Å; A65-F69 WeakPolarHBondContact O-CB 3.47Å; A65-F69 PolarHBondContact O-N 3.24Å
66A74.2Confident78.8Confident56 Ų5663 Ų6346%0.46334%0.344SS..Hα-helixtrans-62.6-46176.900000111.9T64 F69 A70T64-A66 VanDerWaalsContact C-N 3.34Å; T64-A66 PolarHBondContact O-N 3.11Å; A66-F69 PolarHBondContact O-N 2.97Å; A66-A70 PolarHBondContact O-N 3.44Å
67D77.5Confident79.2Confident105 Ų10565.7 Ų65.756%0.56135%0.354SS*.Hα-helixtrans-64.4-43.5178.6-64.3-26000111.7T64 F69 A70 D71T64-D67 PolarHBondContact O-N 3.4Å; D67-F69 VanDerWaalsContact C-N 3.3Å; D67-F69 PolarHBondContact O-N 3.19Å; D67-A70 PolarHBondContact O-N 3.28Å; D67-D71 WeakPolarHBondContact O-CB 3.41Å; D67-D71 PolarHBondContact O-N 3.04Å
68K80.1Confident79.8Confident88 Ų8859.9 Ų59.938%0.38332%0.323SS..Hα-helixtrans-64.1-36176.5-69.5168.4-168.9161.10112.1L54 D62 T64 A65 L72L54-K68 HydrophobicContact CD2-CD 4.47Å; D62-K68 IonicContact OD2-NZ 3.58Å; D62-K68 PolarHBondContact OD2-NZ 3.43Å; T64-K68 VanDerWaalsContact O-CG 3.29Å; T64-K68 WeakPolarHBondContact O-CG 3.32Å; T64-K68 PolarHBondContact O-N 3.07Å; T64-K68 VanDerWaalsContact O-N 3.09Å; T64-K68 VanDerWaalsContact OG1-CE 3.23Å; T64-K68 WeakPolarHBondContact OG1-CE 3.42Å; T64-K68 PolarHBondContact OG1-NZ 3.15Å; A65-K68 PolarHBondContact O-N 3.13Å; K68-L72 WeakPolarHBondContact O-CB 3.23Å; K68-L72 PolarHBondContact O-N 3.23Å
69F81.2Confident80.3Confident48 Ų4851.7 Ų51.721%0.21129%0.292CS..Hα-helixtrans-71.5-38.3177.3-167.8-96.6000111.6A51 L54 A65 A66 D67 L72 G73A51-F69 HydrophobicContact CB-CE2 4.06Å; L54-F69 HydrophobicContact CB-CD2 4.47Å; A65-F69 VanDerWaalsContact O-CB 3.3Å; A65-F69 WeakPolarHBondContact O-CB 3.47Å; A65-F69 PolarHBondContact O-N 3.24Å; A66-F69 PolarHBondContact O-N 2.97Å; D67-F69 VanDerWaalsContact C-N 3.3Å; D67-F69 PolarHBondContact O-N 3.19Å; F69-L72 WeakPolarHBondContact O-CB 3.29Å; F69-L72 PolarHBondContact O-N 3.44Å; F69-G73 PolarHBondContact O-N 3.31Å
70A80.1Confident80.9Confident18 Ų1850.7 Ų50.715%0.14929%0.29CS..Hα-helixtrans-63.3-44.3172.700000112A66 D67 L72 G73 S74 F112A66-A70 PolarHBondContact O-N 3.44Å; D67-A70 PolarHBondContact O-N 3.28Å; A70-L72 VanDerWaalsContact C-N 3.31Å; A70-L72 PolarHBondContact O-N 3.4Å; A70-G73 PolarHBondContact O-N 2.82Å; A70-S74 PolarHBondContact O-N 3.46Å; A70-S74 PolarHBondContact O-OG 3.23Å; A70-F112 HydrophobicContact CB-CD1 3.75Å; A70-F112 HydrophobicContact CB-CE1 3.57Å; A70-F112 HydrophobicContact CB-CG 4.47Å; A70-F112 HydrophobicContact CB-CZ 4.17Å
71D82.8Confident81.6Confident39 Ų3949 Ų4921%0.20928%0.275CS..Hα-helixtrans-63.2-37.6175.3-74.9-10.9000111.8R26 I31 D67 S74 A75R26-D71 IonicContact CZ-OD1 3.62Å; R26-D71 VanDerWaalsContact CZ-OD1 3.23Å; R26-D71 IonicContact NH1-OD1 2.85Å; R26-D71 PolarHBondContact NH1-OD1 3.47Å; R26-D71 IonicContact NH2-OD1 3.97Å; I31-D71 HydrophobicContact CD1-CB 4.37Å; I31-D71 HydrophobicContact CG2-CB 4.49Å; D67-D71 WeakPolarHBondContact O-CB 3.41Å; D67-D71 PolarHBondContact O-N 3.04Å; D71-S74 WeakPolarHBondContact CA-OG 3.49Å; D71-S74 PolarHBondContact O-OG 3.03Å; D71-A75 WeakPolarHBondContact O-CB 3.32Å; D71-A75 PolarHBondContact O-N 3.03Å
72L84.7Confident82.2Confident1 Ų145.9 Ų45.91%0.00526%0.259CS..Hα-helixtrans-65.3-40.3175-175.570.4000112.4I31 L32 Y47 L50 A51 L54 K68 F69 A70 Y76I31-L72 HydrophobicContact CG2-CD1 4.43Å; L32-L72 HydrophobicContact CD2-CD1 3.65Å; L32-L72 HydrophobicContact CG-CD1 4.31Å; Y47-L72 HydrophobicContact CD2-CD1 4.28Å; Y47-L72 HydrophobicContact CD2-CD2 4.18Å; Y47-L72 HydrophobicContact CD2-CG 3.79Å; Y47-L72 HydrophobicContact CE2-CD2 4.2Å; Y47-L72 HydrophobicContact CE2-CG 3.92Å; L50-L72 HydrophobicContact CB-CD1 3.76Å; L50-L72 HydrophobicContact CB-CD2 3.69Å; L50-L72 HydrophobicContact CB-CG 4.4Å; L50-L72 HydrophobicContact CD1-CD1 3.82Å; L50-L72 HydrophobicContact CG-CD1 4.45Å; A51-L72 HydrophobicContact CB-CD2 4.03Å; L54-L72 HydrophobicContact CD1-CD2 4.43Å; K68-L72 WeakPolarHBondContact O-CB 3.23Å; K68-L72 PolarHBondContact O-N 3.23Å; F69-L72 WeakPolarHBondContact O-CB 3.29Å; F69-L72 PolarHBondContact O-N 3.44Å; A70-L72 VanDerWaalsContact C-N 3.31Å; A70-L72 PolarHBondContact O-N 3.4Å; L72-Y76 PolarHBondContact O-N 3.45Å; L72-Y76 VanDerWaalsContact O-N 3.15Å
73G82.8Confident82.5Confident14 Ų1449.8 Ų49.814%0.14428%0.275CS..Hα-helixtrans-63.2-48.8176.300000112.2F69 A70 A75 Y76 E77F69-G73 PolarHBondContact O-N 3.31Å; A70-G73 PolarHBondContact O-N 2.82Å; G73-A75 VanDerWaalsContact C-N 3.35Å; G73-A75 PolarHBondContact O-N 3.07Å; G73-Y76 PolarHBondContact O-N 2.77Å; G73-E77 PolarHBondContact O-N 3.01Å
74S83.6Confident83Confident6 Ų647.4 Ų47.44%0.04225%0.252CS..Hα-helixtrans-61.9-40.6178.161.10000112.7A70 D71 Y76 E77 V78A70-S74 PolarHBondContact O-N 3.46Å; A70-S74 PolarHBondContact O-OG 3.23Å; D71-S74 WeakPolarHBondContact CA-OG 3.49Å; D71-S74 PolarHBondContact O-OG 3.03Å; S74-Y76 VanDerWaalsContact C-N 3.32Å; S74-Y76 PolarHBondContact O-N 3.2Å; S74-E77 PolarHBondContact O-N 2.92Å; S74-V78 WeakPolarHBondContact O-CG2 3.46Å; S74-V78 PolarHBondContact O-N 3.4Å; S74-V78 VanDerWaalsContact O-N 3.15Å
75A87.5Confident83.6Confident0 Ų046.1 Ų46.10%024%0.241CC..Hα-helixtrans-61.3-40.1175.100000112.4F28 I31 L32 D71 G73 L79F28-A75 HydrophobicContact CB-CB 3.77Å; F28-A75 HydrophobicContact CD1-CB 3.67Å; F28-A75 HydrophobicContact CG-CB 3.98Å; I31-A75 HydrophobicContact CB-CB 4.2Å; I31-A75 HydrophobicContact CG2-CB 3.98Å; L32-A75 HydrophobicContact CD1-CB 3.8Å; L32-A75 HydrophobicContact CG-CB 3.92Å; D71-A75 WeakPolarHBondContact O-CB 3.32Å; D71-A75 PolarHBondContact O-N 3.03Å; G73-A75 VanDerWaalsContact C-N 3.35Å; G73-A75 PolarHBondContact O-N 3.07Å; A75-L79 VanDerWaalsContact O-CB 3.27Å; A75-L79 WeakPolarHBondContact O-CB 3.44Å; A75-L79 WeakPolarHBondContact O-CG 3.49Å; A75-L79 PolarHBondContact O-N 3.23Å; A75-L79 VanDerWaalsContact O-N 3.09Å
76Y87.4Confident84.2Confident58 Ų5852.4 Ų52.423%0.22727%0.268CS..Hα-helixtrans-70.5-42.3177.8176.2-105000112.3I43 K44 Y47 L72 G73 S74 V78 L79 S80I43-Y76 HydrophobicContact CG2-CD2 4.08Å; K44-Y76 HydrophobicContact CB-CE2 4.08Å; K44-Y76 HydrophobicContact CG-CE2 4.18Å; Y47-Y76 HydrophobicContact CD1-CD1 4.09Å; Y47-Y76 AromaticContact CD1-CD2 3.96Å; Y47-Y76 HydrophobicContact CD1-CD2 3.96Å; Y47-Y76 HydrophobicContact CD1-CE1 4.33Å; Y47-Y76 HydrophobicContact CD1-CE2 4.21Å; Y47-Y76 AromaticContact CD1-CG 3.9Å; Y47-Y76 HydrophobicContact CD1-CG 3.9Å; Y47-Y76 VanDerWaalsContact CD2-CB 3.41Å; Y47-Y76 HydrophobicContact CD2-CD1 4.41Å; Y47-Y76 HydrophobicContact CD2-CD2 4.18Å; Y47-Y76 AromaticContact CD2-CG 3.75Å; Y47-Y76 HydrophobicContact CD2-CG 3.75Å; Y47-Y76 HydrophobicContact CE1-CD1 4.08Å; Y47-Y76 HydrophobicContact CE1-CE1 4.37Å; Y47-Y76 HydrophobicContact CE1-CG 4.27Å; Y47-Y76 HydrophobicContact CE2-CD1 4.4Å; Y47-Y76 HydrophobicContact CE2-CG 4.14Å; Y47-Y76 HydrophobicContact CG-CD1 4.26Å; Y47-Y76 AromaticContact CG-CD2 3.64Å; Y47-Y76 HydrophobicContact CG-CD2 3.64Å; Y47-Y76 HydrophobicContact CG-CE2 4.28Å; Y47-Y76 AromaticContact CG-CG 3.62Å; Y47-Y76 HydrophobicContact CG-CG 3.62Å; L72-Y76 PolarHBondContact O-N 3.45Å; L72-Y76 VanDerWaalsContact O-N 3.15Å; G73-Y76 PolarHBondContact O-N 2.77Å; S74-Y76 VanDerWaalsContact C-N 3.32Å; S74-Y76 PolarHBondContact O-N 3.2Å; Y76-V78 VanDerWaalsContact C-N 3.33Å; Y76-V78 PolarHBondContact O-N 2.96Å; Y76-L79 PolarHBondContact O-N 2.9Å; Y76-S80 WeakPolarHBondContact O-CB 3.34Å; Y76-S80 PolarHBondContact O-N 2.92Å; Y76-S80 PolarHBondContact O-OG 3.27Å
77E87.1Confident84.6Confident87 Ų8754.2 Ų54.241%0.40727%0.267SS..Hα-helixtrans-59.6-45.4179.2-167.3-166.5153.600111.7G73 S74 S80 K84G73-E77 PolarHBondContact O-N 3.01Å; S74-E77 PolarHBondContact O-N 2.92Å; E77-S80 PolarHBondContact O-OG 3.24Å; E77-K84 IonicContact OE1-NZ 3.11Å; E77-K84 PolarHBondContact OE1-NZ 3.21Å
78V88.3Confident84.9Confident13 Ų1350.2 Ų50.28%0.07924%0.244CC..Hα-helixtrans-72.1-41.6-178.7174.70000111.9F28 S74 Y76 K84 R85 Y88 L96F28-V78 HydrophobicContact CD2-CB 3.96Å; F28-V78 HydrophobicContact CD2-CG1 3.85Å; F28-V78 HydrophobicContact CD2-CG2 4.29Å; F28-V78 HydrophobicContact CE2-CB 3.98Å; F28-V78 HydrophobicContact CE2-CG1 3.96Å; F28-V78 HydrophobicContact CE2-CG2 3.8Å; F28-V78 HydrophobicContact CZ-CG2 4.39Å; S74-V78 WeakPolarHBondContact O-CG2 3.46Å; S74-V78 PolarHBondContact O-N 3.4Å; S74-V78 VanDerWaalsContact O-N 3.15Å; Y76-V78 VanDerWaalsContact C-N 3.33Å; Y76-V78 PolarHBondContact O-N 2.96Å; V78-K84 HydrophobicContact CG1-CB 4.48Å; V78-K84 CarbonylContact O-C 3.2Å; V78-R85 WeakPolarHBondContact O-CA 3.33Å; V78-R85 PolarHBondContact O-N 3.48Å; V78-R85 VanDerWaalsContact O-N 3.1Å; V78-Y88 HydrophobicContact CG1-CD1 4.37Å; V78-Y88 HydrophobicContact CG1-CD2 4.17Å; V78-Y88 HydrophobicContact CG1-CG 3.77Å; V78-L96 HydrophobicContact CB-CD1 4.46Å; V78-L96 HydrophobicContact CG1-CD1 3.83Å; V78-L96 HydrophobicContact CG1-CD2 4.38Å; V78-L96 HydrophobicContact CG2-CD1 3.72Å
79L88.2Confident85.3Confident0 Ų050 Ų500%025%0.247CC..Hα-helixtrans-87-14.5-174.8-63.6-175000114.3F28 Y29 L32 I43 A75 Y76 R85 Y88F28-L79 HydrophobicContact CB-CD1 3.74Å; F28-L79 HydrophobicContact CB-CG 4.01Å; Y29-L79 HydrophobicContact CD1-CD1 3.69Å; Y29-L79 HydrophobicContact CD1-CD2 4.45Å; Y29-L79 HydrophobicContact CD2-CD1 4.38Å; Y29-L79 HydrophobicContact CD2-CD2 4.47Å; Y29-L79 HydrophobicContact CE1-CD1 3.78Å; Y29-L79 HydrophobicContact CE1-CD2 3.8Å; Y29-L79 HydrophobicContact CE1-CG 4.43Å; Y29-L79 HydrophobicContact CE2-CD1 4.48Å; Y29-L79 HydrophobicContact CE2-CD2 3.84Å; Y29-L79 HydrophobicContact CG-CD1 4.01Å; Y29-L79 VanDerWaalsContact CZ-CD2 3.47Å; L32-L79 HydrophobicContact CD1-CB 4.46Å; L32-L79 HydrophobicContact CD1-CD1 3.9Å; I43-L79 HydrophobicContact CD1-CB 4.13Å; I43-L79 HydrophobicContact CG2-CB 4.15Å; A75-L79 VanDerWaalsContact O-CB 3.27Å; A75-L79 WeakPolarHBondContact O-CB 3.44Å; A75-L79 WeakPolarHBondContact O-CG 3.49Å; A75-L79 PolarHBondContact O-N 3.23Å; A75-L79 VanDerWaalsContact O-N 3.09Å; Y76-L79 PolarHBondContact O-N 2.9Å; L79-R85 HydrophobicContact CD2-CG 4.01Å; L79-Y88 HydrophobicContact CD2-CD1 3.97Å; L79-Y88 HydrophobicContact CD2-CE1 4.33Å
80S87.5Confident85.3Confident36 Ų3651 Ų5125%0.25226%0.264SS..Hα-helixtrans-82.8-25.5176.763.50000113.6Y76 E77Y76-S80 WeakPolarHBondContact O-CB 3.34Å; Y76-S80 PolarHBondContact O-N 2.92Å; Y76-S80 PolarHBondContact O-OG 3.27Å; E77-S80 PolarHBondContact O-OG 3.24Å
81D87.6Confident85.2Confident64 Ų6458.6 Ų58.634%0.34229%0.29SS..SBendtrans-94.8126.5176.6-176.1-61000110.8E83 K84 R85D81-E83 VanDerWaalsContact C-N 3.31Å; D81-E83 PolarHBondContact O-N 3.27Å; D81-E83 WeakPolarHBondContact OD1-CA 3.35Å; D81-E83 WeakPolarHBondContact OD1-CB 3.4Å; D81-E83 PolarHBondContact OD1-N 3.36Å; D81-K84 HydrophobicContact CB-CB 4.08Å; D81-K84 HydrophobicContact CB-CD 4.12Å; D81-K84 HydrophobicContact CB-CG 4.13Å; D81-K84 PolarHBondContact O-N 2.87Å; D81-K84 PolarHBondContact OD1-N 2.99Å; D81-K84 VanDerWaalsContact OD1-N 3.08Å; D81-R85 WeakPolarHBondContact O-CB 3.49Å; D81-R85 PolarHBondContact O-N 3.28Å
82D86.3Confident85Confident91 Ų9158 Ų5849%0.48729%0.293SS..Hα-helixtrans-66.4-29-174.5-111.843.9000113.3K86D82-K86 VanDerWaalsContact O-CD 3.31Å; D82-K86 WeakPolarHBondContact O-CD 3.23Å; D82-K86 WeakPolarHBondContact O-CG 3.39Å; D82-K86 PolarHBondContact O-N 3.09Å
83E82.3Confident84.4Confident141 Ų14160.7 Ų60.766%0.65931%0.305SS*.Hα-helixtrans-79.9-46177.3-63.9-166.2160.700111.2D81 R85 K86 Q87D81-E83 VanDerWaalsContact C-N 3.31Å; D81-E83 PolarHBondContact O-N 3.27Å; D81-E83 WeakPolarHBondContact OD1-CA 3.35Å; D81-E83 WeakPolarHBondContact OD1-CB 3.4Å; D81-E83 PolarHBondContact OD1-N 3.36Å; E83-R85 VanDerWaalsContact C-N 3.33Å; E83-R85 PolarHBondContact O-N 3.32Å; E83-K86 PolarHBondContact O-N 2.67Å; E83-Q87 WeakPolarHBondContact O-CG 3.19Å; E83-Q87 PolarHBondContact O-N 3.07Å
84K84.5Confident83.7Confident69 Ų6965.1 Ų65.130%0.333%0.326SS..Hα-helixtrans-64.1-38.4176.6-65.6-177.9177.71740111.7E77 V78 D81 Q87 Y88 L96E77-K84 IonicContact OE1-NZ 3.11Å; E77-K84 PolarHBondContact OE1-NZ 3.21Å; V78-K84 HydrophobicContact CG1-CB 4.48Å; V78-K84 CarbonylContact O-C 3.2Å; D81-K84 HydrophobicContact CB-CB 4.08Å; D81-K84 HydrophobicContact CB-CD 4.12Å; D81-K84 HydrophobicContact CB-CG 4.13Å; D81-K84 PolarHBondContact O-N 2.87Å; D81-K84 PolarHBondContact OD1-N 2.99Å; D81-K84 VanDerWaalsContact OD1-N 3.08Å; K84-Q87 PolarHBondContact O-N 2.89Å; K84-Y88 WeakPolarHBondContact O-CB 3.43Å; K84-Y88 PolarHBondContact O-N 3.39Å; K84-L96 HydrophobicContact CB-CD2 4.45Å
85R88.5Confident82.7Confident31 Ų3165.7 Ų65.712%0.11733%0.333CS..Hα-helixtrans-61.9-43.4175.2-178.4175.9179.6176.41.3111.7Y29 K36 A38 V78 L79 D81 E83 Y88 D89Y29-R85 PolarHBondContact OH-NE 3.46Å; K36-R85 PolarHBondContact O-NH2 3.17Å; A38-R85 PolarHBondContact O-NH1 3.08Å; A38-R85 PolarHBondContact O-NH2 2.79Å; V78-R85 WeakPolarHBondContact O-CA 3.33Å; V78-R85 PolarHBondContact O-N 3.48Å; V78-R85 VanDerWaalsContact O-N 3.1Å; L79-R85 HydrophobicContact CD2-CG 4.01Å; D81-R85 WeakPolarHBondContact O-CB 3.49Å; D81-R85 PolarHBondContact O-N 3.28Å; E83-R85 VanDerWaalsContact C-N 3.33Å; E83-R85 PolarHBondContact O-N 3.32Å; R85-Y88 PolarHBondContact O-N 3.03Å; R85-D89 IonicContact NE-OD2 3.07Å; R85-D89 VanDerWaalsContact O-CB 3.31Å; R85-D89 WeakPolarHBondContact O-CB 3.38Å; R85-D89 PolarHBondContact O-N 2.95Å
86K85.3Confident81.5Confident136 Ų13668.3 Ų68.359%0.59135%0.346SS*.Hα-helixtrans-63.2-41.7176.2-75.9168.4-169.7165.30112D82 E83 D89 A90D82-K86 VanDerWaalsContact O-CD 3.31Å; D82-K86 WeakPolarHBondContact O-CD 3.23Å; D82-K86 WeakPolarHBondContact O-CG 3.39Å; D82-K86 PolarHBondContact O-N 3.09Å; E83-K86 PolarHBondContact O-N 2.67Å; K86-D89 PolarHBondContact O-N 3.29Å; K86-A90 VanDerWaalsContact O-CB 3.26Å; K86-A90 WeakPolarHBondContact O-CB 3.45Å; K86-A90 PolarHBondContact O-N 3.16Å
87Q83.3Confident80.2Confident94 Ų9472 Ų7244%0.43936%0.364SS..Hα-helixtrans-64.4-44.5176.5-70.8176.82.100111.5E83 K84 A90 Y91E83-Q87 WeakPolarHBondContact O-CG 3.19Å; E83-Q87 PolarHBondContact O-N 3.07Å; K84-Q87 PolarHBondContact O-N 2.89Å; Q87-A90 PolarHBondContact O-N 2.95Å; Q87-Y91 PolarHBondContact O-N 3.38Å
88Y84.9Confident78Confident20 Ų2076.7 Ų76.78%0.07839%0.386CS..Hα-helixtrans-63.5-42175.5179.3-104.9000112.8R26 D27 F28 Y29 V78 L79 K84 R85 A90 G92 L96R26-Y88 PolarHBondContact O-OH 3.3Å; D27-Y88 WeakPolarHBondContact CA-OH 3.21Å; F28-Y88 HydrophobicContact CB-CE1 4.06Å; F28-Y88 HydrophobicContact CD2-CD1 4.11Å; F28-Y88 AromaticContact CD2-CD2 3.58Å; F28-Y88 HydrophobicContact CD2-CD2 3.58Å; F28-Y88 AromaticContact CD2-CE1 3.75Å; F28-Y88 HydrophobicContact CD2-CE1 3.75Å; F28-Y88 AromaticContact CD2-CE2 3.17Å; F28-Y88 HydrophobicContact CD2-CE2 3.17Å; F28-Y88 HydrophobicContact CD2-CG 4.02Å; F28-Y88 AromaticContact CD2-CZ 3.27Å; F28-Y88 AromaticContact CE2-CD2 3.6Å; F28-Y88 HydrophobicContact CE2-CD2 3.6Å; F28-Y88 AromaticContact CE2-CE2 3.34Å; F28-Y88 HydrophobicContact CE2-CE2 3.34Å; F28-Y88 HydrophobicContact CE2-CG 4.38Å; F28-Y88 AromaticContact CE2-CZ 3.94Å; F28-Y88 HydrophobicContact CG-CE1 4.29Å; F28-Y88 HydrophobicContact CG-CE2 4.09Å; F28-Y88 AromaticContact CG-CZ 3.8Å; F28-Y88 HydrophobicContact CZ-CE2 4.37Å; F28-Y88 PolarHBondContact N-OH 3.35Å; Y29-Y88 HydrophobicContact CD2-CE1 4.03Å; Y29-Y88 HydrophobicContact CE2-CD1 4.1Å; Y29-Y88 AromaticContact CE2-CE1 3.81Å; Y29-Y88 HydrophobicContact CE2-CE1 3.81Å; V78-Y88 HydrophobicContact CG1-CD1 4.37Å; V78-Y88 HydrophobicContact CG1-CD2 4.17Å; V78-Y88 HydrophobicContact CG1-CG 3.77Å; L79-Y88 HydrophobicContact CD2-CD1 3.97Å; L79-Y88 HydrophobicContact CD2-CE1 4.33Å; K84-Y88 WeakPolarHBondContact O-CB 3.43Å; K84-Y88 PolarHBondContact O-N 3.39Å; R85-Y88 PolarHBondContact O-N 3.03Å; Y88-A90 VanDerWaalsContact C-N 3.28Å; Y88-A90 PolarHBondContact O-N 3.5Å; Y88-G92 WeakPolarHBondContact O-CA 3.36Å; Y88-G92 PolarHBondContact O-N 3.29Å; Y88-L96 HydrophobicContact CD2-CD1 3.87Å
89D87Confident75.8Confident85 Ų8578.6 Ų78.646%0.45541%0.408SS..Hα-helixtrans-67.3-29.9177.9-73.7-22.7000112.2Y29 R85 K86Y29-D89 VanDerWaalsContact CE2-OD1 3.23Å; Y29-D89 WeakPolarHBondContact CE2-OD1 3.45Å; Y29-D89 VanDerWaalsContact OH-CG 3.27Å; Y29-D89 PolarHBondContact OH-OD1 2.88Å; Y29-D89 PolarHBondContact OH-OD2 3.41Å; Y29-D89 VanDerWaalsContact OH-OD2 3.09Å; R85-D89 IonicContact NE-OD2 3.07Å; R85-D89 VanDerWaalsContact O-CB 3.31Å; R85-D89 WeakPolarHBondContact O-CB 3.38Å; R85-D89 PolarHBondContact O-N 2.95Å; K86-D89 PolarHBondContact O-N 3.29Å
90A81.7Confident73.2Confident67 Ų6785.2 Ų85.255%0.55444%0.439SS*.Hα-helixtrans-84.7-38.7-179.300000113.8K86 Q87 Y88K86-A90 VanDerWaalsContact O-CB 3.26Å; K86-A90 WeakPolarHBondContact O-CB 3.45Å; K86-A90 PolarHBondContact O-N 3.16Å; Q87-A90 PolarHBondContact O-N 2.95Å; Y88-A90 VanDerWaalsContact C-N 3.28Å; Y88-A90 PolarHBondContact O-N 3.5Å
91Y78.4Confident70.6Confident179 Ų17993.7 Ų93.770%0.70247%0.474SS*.Hα-helixtrans-128.70.6-168.2-62.4-75.1000113.9Q87Q87-Y91 PolarHBondContact O-N 3.38Å
92G79.2Confident67.9Low27 Ų2792.8 Ų92.828%0.27848%0.479SS..G310 helixtrans67.4-160.1-175.600000112.8Y88 D94 G95Y88-G92 WeakPolarHBondContact O-CA 3.36Å; Y88-G92 PolarHBondContact O-N 3.29Å; G92-D94 PolarHBondContact O-N 3.32Å; G92-G95 PolarHBondContact O-N 2.9Å
93E71.4Confident65.7Low56 Ų5693.7 Ų93.726%0.26249%0.493SS..G310 helixtrans-62.6-29.3-179.7-165.6-174.6149.700112.7R26 L96R26-E93 WeakPolarHBondContact CB-OE2 3.49Å; R26-E93 PolarHBondContact N-OE2 2.95Å; E93-L96 PolarHBondContact O-N 2.98Å
94D68.6Low63.5Low108 Ų10891.3 Ų91.358%0.57848%0.482SS*.G310 helixtrans-74.4-26.1-177.6-66.1-33.4000113G92 L96 K97G92-D94 PolarHBondContact O-N 3.32Å; D94-L96 PolarHBondContact O-N 3.33Å; D94-K97 PolarHBondContact O-N 2.76Å; D94-K97 VanDerWaalsContact O-N 3.12Å; D94-K97 IonicContact OD1-NZ 3.51Å; D94-K97 PolarHBondContact OD1-NZ 2.89Å
95G62Low61.1Low18 Ų1895.6 Ų95.619%0.18651%0.508CS..G310 helixtrans-68.4-19.8172.900000114.4G92 K97G92-G95 PolarHBondContact O-N 2.9Å; G95-K97 VanDerWaalsContact C-N 3.3Å
96L61.8Low59.2Low54 Ų5498.6 Ų98.628%0.28353%0.526SS..G310 helixtrans-80.9-12.6174.6-64.5163.3000112.1F28 V78 K84 Y88 E93 D94F28-L96 HydrophobicContact CE2-CD1 4.02Å; V78-L96 HydrophobicContact CB-CD1 4.46Å; V78-L96 HydrophobicContact CG1-CD1 3.83Å; V78-L96 HydrophobicContact CG1-CD2 4.38Å; V78-L96 HydrophobicContact CG2-CD1 3.72Å; K84-L96 HydrophobicContact CB-CD2 4.45Å; Y88-L96 HydrophobicContact CD2-CD1 3.87Å; E93-L96 PolarHBondContact O-N 2.98Å; D94-L96 PolarHBondContact O-N 3.33Å
97K59.7Low57.2Low135 Ų13596.7 Ų96.759%0.58752%0.522SS*.THydrogen-bonded Turntrans-92.5-24.2-179.1-63.2174.6-171.2154.10113.5D94 G95D94-K97 PolarHBondContact O-N 2.76Å; D94-K97 VanDerWaalsContact O-N 3.12Å; D94-K97 IonicContact OD1-NZ 3.51Å; D94-K97 PolarHBondContact OD1-NZ 2.89Å; G95-K97 VanDerWaalsContact C-N 3.3Å
98E42.3Very low55.2Low186 Ų18697.8 Ų97.887%0.86953%0.525SS*.SBendtrans-942.8-172.2-84.6-166.315100115.6
99G41.3Very low53.6Low54 Ų5499.3 Ų99.356%0.55754%0.539SS*.SBendtrans-107.965.6177.800000112.8
100H33.5Very low51.8Low139 Ų13999 Ų9964%0.64454%0.544SS*.  trans178.4102.8152.4-101.467000110G102H100-G102 VanDerWaalsContact C-N 3.3Å; H100-G102 PolarHBondContact O-N 2.98Å
101H33.6Very low49.8Very low214 Ų214103.3 Ų103.399%0.99155%0.55SS*.SBendtrans-67.490.9164.2-92.7-59.7000109.4
102G30.2Very low48.2Very low44 Ų4497.9 Ų97.945%0.45453%0.53SS..SBendtrans16785.1171.800000111.7H100 H104H100-G102 VanDerWaalsContact C-N 3.3Å; H100-G102 PolarHBondContact O-N 2.98Å; G102-H104 PolarHBondContact O-N 3.3Å; G102-H104 PolarHBondContact O-ND1 3.01Å
103S40.6Very low46.3Very low110 Ų11098.3 Ų98.377%0.76953%0.534SS*.  trans43.265.1159.9-1620000115.3
104H35.9Very low44.9Very low91 Ų91100.1 Ų100.142%0.42155%0.546SS..  trans-112.621.4-174.9-96.852.8000114.6G102 D106 I107G102-H104 PolarHBondContact O-N 3.3Å; G102-H104 PolarHBondContact O-ND1 3.01Å; H104-D106 PolarHBondContact O-N 2.88Å; H104-I107 WeakPolarHBondContact CD2-CG1 3.46Å; H104-I107 WeakPolarHBondContact CE1-CD1 3.07Å; H104-I107 WeakPolarHBondContact NE2-CD1 3.29Å; H104-I107 WeakPolarHBondContact NE2-CG1 3.19Å
105N33.8Very low43.3Very low159 Ų159103 Ų10385%0.8555%0.553SS**SBendtrans-71.7-1.9157.2-1056.7000112.1S109N105-S109 PolarHBondContact O-OG 2.99Å
106D48.7Very low42.5Very low94 Ų94105.1 Ų105.150%0.50358%0.576SS.*SBendtrans-108-5.8-178.8-74.3-35000115.8H104 S109 S110H104-D106 PolarHBondContact O-N 2.88Å; D106-S109 VanDerWaalsContact CA-OG 3.26Å; D106-S109 WeakPolarHBondContact CA-OG 3.39Å; D106-S109 PolarHBondContact O-OG 2.74Å; D106-S109 PolarHBondContact OD1-OG 2.92Å; D106-S110 WeakPolarHBondContact O-CB 3.48Å; D106-S110 PolarHBondContact O-N 2.87Å; D106-S110 PolarHBondContact O-OG 2.97Å
107I43.9Very low41.2Very low97 Ų97110.1 Ų110.150%0.49760%0.595SS.*Hα-helixtrans-79.5-36.3-179.2-67.9-130.9000112.4H104H104-I107 WeakPolarHBondContact CD2-CG1 3.46Å; H104-I107 WeakPolarHBondContact CE1-CD1 3.07Å; H104-I107 WeakPolarHBondContact NE2-CD1 3.29Å; H104-I107 WeakPolarHBondContact NE2-CG1 3.19Å
108F41.6Very low40.2Very low116 Ų116111.8 Ų111.851%0.50961%0.607SS.*Hα-helixtrans-78.5-31.9176.2-146.6-96.9000112.1F112F108-F112 PolarHBondContact O-N 3.39Å
109S50.2Low40Very low53 Ų53113.1 Ų113.137%0.37161%0.611SS.*Hα-helixtrans-79.8-24.3174.957.20000113.4N105 D106 G113N105-S109 PolarHBondContact O-OG 2.99Å; D106-S109 VanDerWaalsContact CA-OG 3.26Å; D106-S109 WeakPolarHBondContact CA-OG 3.39Å; D106-S109 PolarHBondContact O-OG 2.74Å; D106-S109 PolarHBondContact OD1-OG 2.92Å; S109-G113 WeakPolarHBondContact O-CA 3.36Å; S109-G113 PolarHBondContact O-N 2.92Å
110S49.9Very low40Very low79 Ų79113.2 Ų113.255%0.55261%0.612SS**Hα-helixtrans-78.9-22.9176.6-65.70000113.5D106D106-S110 WeakPolarHBondContact O-CB 3.48Å; D106-S110 PolarHBondContact O-N 2.87Å; D106-S110 PolarHBondContact O-OG 2.97Å
111F39.6Very low40.5Very low156 Ų156110.1 Ų110.168%0.68462%0.618SS**Hα-helixtrans-95.3-35.3177.5-168-108.2000113.2
112F43.6Very low41Very low66 Ų66107.9 Ų107.929%0.28961%0.613SS.*Hα-helixtrans-109.1-16.5178.9-89.6-84.6000115.2A70 F108 D114A70-F112 HydrophobicContact CB-CD1 3.75Å; A70-F112 HydrophobicContact CB-CE1 3.57Å; A70-F112 HydrophobicContact CB-CG 4.47Å; A70-F112 HydrophobicContact CB-CZ 4.17Å; F108-F112 PolarHBondContact O-N 3.39Å; F112-D114 VanDerWaalsContact C-N 3.26Å; F112-D114 PolarHBondContact O-N 2.88Å
113G40.2Very low41.6Very low35 Ų35117.4 Ų117.436%0.36164%0.635SS.*G310 helixtrans-76-12.2171.600000113.6S109 F115 F117S109-G113 WeakPolarHBondContact O-CA 3.36Å; S109-G113 PolarHBondContact O-N 2.92Å; G113-F115 VanDerWaalsContact C-N 3.34Å; G113-F117 WeakPolarHBondContact O-CD2 3.49Å
114D41.2Very low41.8Very low95 Ų95121.5 Ų121.551%0.50864%0.642SS.*G310 helixtrans-80.6-11.9175.2-162.939.6000113.3F112 G116 F117F112-D114 VanDerWaalsContact C-N 3.26Å; F112-D114 PolarHBondContact O-N 2.88Å; D114-G116 PolarHBondContact O-N 3.28Å; D114-F117 PolarHBondContact O-N 3.21Å
115F35.7Very low42.3Very low167 Ų167120.6 Ų120.673%0.73266%0.658SS**G310 helixtrans-73.8-14.5174.8-145.2-95.5000112.8G113G113-F115 VanDerWaalsContact C-N 3.34Å
116G44.1Very low42.9Very low64 Ų64121.5 Ų121.566%0.6666%0.657SS**G310 helixtrans-98.4-8171.800000114.9D114D114-G116 PolarHBondContact O-N 3.28Å
117F36.3Very low42.6Very low158 Ų158126 Ų12669%0.69368%0.675SS**THydrogen-bonded Turntrans-102.5-1.5-178.2-88.1-89.5000114G113 D114 F119G113-F117 WeakPolarHBondContact O-CD2 3.49Å; D114-F117 PolarHBondContact O-N 3.21Å; F117-F119 PolarHBondContact O-N 2.9Å
118M37.8Very low42.9Very low170 Ų170127.5 Ų127.584%0.83768%0.684SS**THydrogen-bonded Turntrans-76.65.4174.6-157.9167.8165.100113.7
119F38.4Very low43.6Very low214 Ų214133.3 Ų133.394%0.93970%0.702SS**THydrogen-bonded Turntrans-127.747.2177.3-119.1-82.3000112.8F117F117-F119 PolarHBondContact O-N 2.9Å
120G40.6Very low44.4Very low56 Ų56137.8 Ų137.858%0.57772%0.722SS**SBendtrans160.695165.900000116.3
121G45.4Very low45.8Very low75 Ų75138.2 Ų138.277%0.77372%0.717SS**  trans24.898.8149.900000120
122N43.4Very low47.9Very low166 Ų166133.7 Ų133.789%0.88870%0.703SS**  168.295.9126.1-98.44.2000109.6Q124N122-Q124 PolarHBondContact O-N 2.85Å
123R43Very low50.1Low245 Ų245138.8 Ų138.893%0.92572%0.721SS**  trans-87.191.7167.2-76.1-176.3175162.3-1.6109.2
124Q43.9Very low52.5Low195 Ų195137.6 Ų137.691%0.91171%0.709SS**  trans-83.1117.6161.4-160.5170.22400107N122 Q126N122-Q124 PolarHBondContact O-N 2.85Å; Q124-Q126 PolarHBondContact O-N 3.08Å
125G46.6Very low54.9Low73 Ų73139.1 Ų139.175%0.75372%0.717SS**  trans-54.2116.1-166.300000114.8Q127G125-Q127 PolarHBondContact O-N 2.61Å
126Q45.9Very low57.6Low177 Ų177135.4 Ų135.483%0.82771%0.705SS**  trans-71.2106.4156-164.9163.92.100106.2Q124 D128Q124-Q126 PolarHBondContact O-N 3.08Å; Q126-D128 VanDerWaalsContact C-N 3.32Å; Q126-D128 PolarHBondContact O-N 2.99Å
127Q43.8Very low60Low188 Ų188133.8 Ų133.888%0.87968%0.68SS**  trans-66.396.1170.3-83.1175.7-7.100107.5G125 R129G125-Q127 PolarHBondContact O-N 2.61Å; Q127-R129 PolarHBondContact O-N 3.49Å
128D49.2Very low62.8Low130 Ų130129.2 Ų129.270%0.69567%0.665SS**  trans-49.3124.8153.9-80.8-38.1000107.1Q126 N130Q126-D128 VanDerWaalsContact C-N 3.32Å; Q126-D128 PolarHBondContact O-N 2.99Å; D128-N130 PolarHBondContact O-N 3.48Å
129R57.7Low65.5Low238 Ų238124.2 Ų124.290%0.89864%0.642SS**  trans-61.892.7165.8-77.9178.7170.3178.8-2.9105.7Q127 I131Q127-R129 PolarHBondContact O-N 3.49Å; R129-I131 PolarHBondContact O-N 2.82Å
130N65.4Low68.2Low146 Ų146118 Ų11878%0.78162%0.618SS**  trans-60.591171.3-78.3-26.9000107.2D128 P132D128-N130 PolarHBondContact O-N 3.48Å; N130-P132 WeakPolarHBondContact O-CD 3.42Å
131I79.9Confident70.8Confident88 Ų88116.2 Ų116.245%0.45160%0.595SS.*  trans-55.9123.1164.9-60.9168.9000104.4R129 R133 E238R129-I131 PolarHBondContact O-N 2.82Å; I131-R133 PolarHBondContact O-N 2.78Å; I131-E238 HydrophobicContact CG2-CG 4.17Å
132P84.4Confident73.1Confident61 Ų61118.5 Ų118.540%0.39659%0.586SS.*  trans-51.5131.5176.3-26.935.6000109N130 H234 G237 E238N130-P132 WeakPolarHBondContact O-CD 3.42Å; P132-H234 WeakPolarHBondContact CB-CE1 3.4Å; P132-G237 CarbonylContact O-C 3.51Å; P132-G237 WeakPolarHBondContact O-CA 3.46Å; P132-E238 PolarHBondContact O-N 3.47Å; P132-E238 VanDerWaalsContact O-N 3.08Å
133R89.8Confident75.6Confident174 Ų174110.6 Ų110.666%0.65754%0.544SS*.BIsolated β-bridgetrans-112147.6177.3-68.3-166.1175.9158.84.6110.2I131 E238I131-R133 PolarHBondContact O-N 2.78Å; R133-E238 CarbonylContact C-O 3.57Å; R133-E238 WeakPolarHBondContact CA-O 3.26Å; R133-E238 HydrophobicContact CG-CB 4.34Å; R133-E238 IonicContact CZ-OE2 2.91Å; R133-E238 IonicContact NE-OE2 3.24Å; R133-E238 PolarHBondContact NE-OE2 2.83Å; R133-E238 VanDerWaalsContact NE-OE2 3.07Å; R133-E238 IonicContact NH2-OE2 3.97Å; R133-E238 PolarHBondContact NH2-OE2 3.14Å
134G89.3Confident78.1Confident10 Ų10100.9 Ų100.910%0.10351%0.512CS..PPolyproline II helixtrans-66.9168.8170.200000111.6E232 E238 G240G134-E232 WeakPolarHBondContact CA-O 3.49Å; G134-E238 PolarHBondContact N-O 3.38Å; G134-G240 WeakPolarHBondContact O-CA 3.45Å
135N91.4Very high80.5Confident127 Ų12791.9 Ų91.968%0.67947%0.47SS*.PPolyproline II helixtrans-74.5141.7177.6-66.2-32.9000110.7E232N135-E232 HydrophobicContact CB-CB 4.33Å; N135-E232 HydrophobicContact CB-CG 4.41Å; N135-E232 PolarHBondContact O-N 3.27Å
136D93.9Very high82.8Confident89 Ų8993 Ų9348%0.47646%0.455SS..PPolyproline II helixtrans-74.2147.1170.4-64.1-11000110.5D241 R243D136-D241 CarbonylContact C-O 3.59Å; D136-D241 WeakPolarHBondContact CA-O 3.48Å; D136-D241 PolarHBondContact OD1-N 2.89Å; D136-R243 IonicContact OD2-NH2 3.69Å
137I93.1Very high85.1Confident29 Ų2986.8 Ų86.815%0.14943%0.426CS..EExtended strand (participates in β ladder)trans-119.2138.1178.6-54.9175.1000108.5L139 E232 D241 L242 R243I137-L139 HydrophobicContact CG2-CD2 4.09Å; I137-L139 HydrophobicContact CG2-CG 4.09Å; I137-E232 HydrophobicContact CD1-CG 3.79Å; I137-E232 WeakPolarHBondContact CD1-OE1 3.32Å; I137-E232 HydrophobicContact CG1-CG 3.99Å; I137-D241 PolarHBondContact N-O 3.23Å; I137-L242 HydrophobicContact CB-CD1 3.92Å; I137-L242 HydrophobicContact CG2-CD1 3.9Å; I137-L242 CarbonylContact O-C 3.55Å; I137-L242 WeakPolarHBondContact O-CA 3.37Å; I137-R243 PolarHBondContact O-N 3.19Å
138V95Very high87.5Confident63 Ų6377.9 Ų77.938%0.38239%0.385SS..EExtended strand (participates in β ladder)trans-115.4125.5169.5-1730000108.8R243 R245V138-R243 CarbonylContact C-O 3.58Å; V138-R243 VanDerWaalsContact CA-O 3.3Å; V138-R243 WeakPolarHBondContact CA-O 3.2Å; V138-R243 HydrophobicContact CG2-CB 4.38Å; V138-R245 HydrophobicContact CG1-CB 4.01Å
139L94.3Very high89.6Confident64 Ų6472.2 Ų72.234%0.33535%0.354SS..EExtended strand (participates in β ladder)trans-116.2128.2176.1-66.1-179.5000109.7I137 L141 L242 R243 F244 R245I137-L139 HydrophobicContact CG2-CD2 4.09Å; I137-L139 HydrophobicContact CG2-CG 4.09Å; L139-L141 PolarHBondContact O-N 3.4Å; L139-L242 HydrophobicContact CB-CD1 4.34Å; L139-L242 HydrophobicContact CD1-CD1 3.68Å; L139-L242 HydrophobicContact CD1-CD2 4.48Å; L139-L242 HydrophobicContact CG-CD1 3.7Å; L139-R243 PolarHBondContact N-O 3.33Å; L139-F244 HydrophobicContact CB-CD1 3.88Å; L139-F244 HydrophobicContact CB-CE1 3.95Å; L139-F244 HydrophobicContact CD1-CE1 3.85Å; L139-F244 HydrophobicContact CD1-CZ 4.34Å; L139-F244 CarbonylContact O-C 3.5Å; L139-F244 VanDerWaalsContact O-CA 3.29Å; L139-F244 WeakPolarHBondContact O-CA 3.5Å; L139-R245 PolarHBondContact O-N 2.82Å
140D95.8Very high91.2Very high84 Ų8463.7 Ų63.745%0.44933%0.331SS..EExtended strand (participates in β ladder)trans-77.3121.3173.9-70.6-4.9000109.1R245D140-R245 CarbonylContact C-O 3.54Å; D140-R245 WeakPolarHBondContact CA-O 3.38Å; D140-R245 IonicContact OD1-NH1 3.47Å
141L95.2Very high92.5Very high18 Ų1858.1 Ų58.19%0.09431%0.307CS..EExtended strand (participates in β ladder)trans-100.6108.9173.3-175.565.5000108.7L139 V143 V154 V156 V213 F244 R245 K247L139-L141 PolarHBondContact O-N 3.4Å; L141-V143 HydrophobicContact CD2-CG1 4.29Å; L141-V143 HydrophobicContact CG-CG1 4.07Å; L141-V154 HydrophobicContact CD1-CG1 4Å; L141-V154 HydrophobicContact CD2-CB 4.41Å; L141-V156 HydrophobicContact CD1-CG2 3.88Å; L141-V213 HydrophobicContact CD2-CB 4.07Å; L141-V213 HydrophobicContact CD2-CG1 3.92Å; L141-V213 HydrophobicContact CD2-CG2 4.37Å; L141-F244 HydrophobicContact CB-CD1 4.36Å; L141-R245 PolarHBondContact N-O 3.25Å; L141-K247 PolarHBondContact O-N 3.37Å
142E94.9Very high93.1Very high123 Ų12356.9 Ų56.958%0.57530%0.302SS*.EExtended strand (participates in β ladder)trans-77.8124177.5-63.2-172.1158.200110.3K247 M249E142-K247 WeakPolarHBondContact CA-O 3.41Å; E142-M249 HydrophobicContact CB-CG 4.12Å; E142-M249 HydrophobicContact CB-SD 4.3Å
143V95Very high93.6Very high0 Ų059.9 Ų59.90%031%0.309CS..EExtended strand (participates in β ladder)trans-127145.7-177-54.50000110.4L141 V148 I215 I246 K247 V248 M249L141-V143 HydrophobicContact CD2-CG1 4.29Å; L141-V143 HydrophobicContact CG-CG1 4.07Å; V143-V148 HydrophobicContact CG2-CG2 3.68Å; V143-I215 HydrophobicContact CB-CD1 4.03Å; V143-I215 HydrophobicContact CG1-CD1 3.35Å; V143-I215 HydrophobicContact CG1-CG1 4.28Å; V143-I246 HydrophobicContact CB-CG2 4.43Å; V143-I246 HydrophobicContact CG1-CG2 4.08Å; V143-I246 HydrophobicContact CG2-CG2 3.43Å; V143-I246 VanDerWaalsContact CG2-CG2 3.43Å; V143-K247 PolarHBondContact N-O 3.39Å; V143-V248 HydrophobicContact CG2-CB 4.48Å; V143-V248 HydrophobicContact CG2-CG2 4.02Å; V143-V248 WeakPolarHBondContact O-CA 3.41Å; V143-M249 PolarHBondContact O-N 2.81Å
144T95.3Very high93.7Very high42 Ų4253.1 Ų53.126%0.25829%0.287SS..  trans-79.7158.217562.20000111.4E146 E147 V148 M249T144-E146 PolarHBondContact O-N 3.48Å; T144-E147 PolarHBondContact N-OE2 3.28Å; T144-E147 PolarHBondContact O-N 2.92Å; T144-E147 WeakPolarHBondContact OG1-CB 3.25Å; T144-E147 WeakPolarHBondContact OG1-CG 3.4Å; T144-E147 PolarHBondContact OG1-N 3.41Å; T144-E147 PolarHBondContact OG1-OE2 3.3Å; T144-V148 WeakPolarHBondContact O-CG2 3.41Å; T144-V148 PolarHBondContact O-N 2.95Å; T144-M249 HydrophobicContact CG2-CE 3.38Å
145L94.8Very high93.9Very high5 Ų559.2 Ų59.23%0.02631%0.313CS..Hα-helixtrans-66.2-27.8175.4-167.562.5000112.6V148 Y149 V248 H251 F254 R256 L261 L283 L309L145-V148 PolarHBondContact O-N 2.93Å; L145-Y149 PolarHBondContact O-N 3.18Å; L145-V248 HydrophobicContact CD1-CG1 4.1Å; L145-H251 HydrophobicContact CB-CB 4.16Å; L145-H251 HydrophobicContact CD2-CB 3.96Å; L145-F254 HydrophobicContact CD2-CB 3.87Å; L145-R256 HydrophobicContact CD1-CB 4.01Å; L145-L261 HydrophobicContact CD2-CD2 3.95Å; L145-L283 HydrophobicContact CB-CD2 4.25Å; L145-L283 HydrophobicContact CD2-CD1 4.05Å; L145-L283 HydrophobicContact CD2-CD2 4.03Å; L145-L283 HydrophobicContact CG-CD1 3.79Å; L145-L283 HydrophobicContact CG-CD2 4.07Å; L145-L309 HydrophobicContact CD1-CD1 4.16Å; L145-L309 HydrophobicContact CD1-CD2 4.26Å
146E94Very high94Very high97 Ų9754.6 Ų54.645%0.45329%0.289SS..Hα-helixtrans-67.5-43.6176.2-61.5175.2179.400111.5T144 V148 Y149 S150 H251 L283T144-E146 PolarHBondContact O-N 3.48Å; E146-V148 VanDerWaalsContact C-N 3.33Å; E146-V148 PolarHBondContact O-N 3.28Å; E146-Y149 PolarHBondContact O-N 3.27Å; E146-S150 PolarHBondContact O-N 3.34Å; E146-S150 PolarHBondContact O-OG 3.42Å; E146-H251 IonicContact OE1-NE2 2.82Å; E146-L283 HydrophobicContact CG-CB 4.43Å; E146-L283 HydrophobicContact CG-CD2 4Å
147E94.1Very high93.9Very high47 Ų4754.9 Ų54.922%0.2229%0.294CS..Hα-helixtrans-63.5-39.1174.5-72167140.900111.6T144 Y149 G151 N152T144-E147 PolarHBondContact N-OE2 3.28Å; T144-E147 PolarHBondContact O-N 2.92Å; T144-E147 WeakPolarHBondContact OG1-CB 3.25Å; T144-E147 WeakPolarHBondContact OG1-CG 3.4Å; T144-E147 PolarHBondContact OG1-N 3.41Å; T144-E147 PolarHBondContact OG1-OE2 3.3Å; E147-Y149 VanDerWaalsContact C-N 3.3Å; E147-Y149 PolarHBondContact O-N 2.69Å; E147-G151 CarbonylContact O-C 3.22Å; E147-G151 WeakPolarHBondContact O-CA 3.4Å; E147-G151 PolarHBondContact O-N 3.32Å; E147-N152 HydrophobicContact CB-CB 3.98Å; E147-N152 HydrophobicContact CG-CB 3.88Å; E147-N152 PolarHBondContact OE1-ND2 3.06Å
148V94.1Very high93.8Very high0 Ų054.4 Ų54.40%029%0.29CS..Hα-helixtrans-67.4-31.6175.8174.60000112.1V143 T144 L145 E146 I215 Q217 G218 V219 V248 L309V143-V148 HydrophobicContact CG2-CG2 3.68Å; T144-V148 WeakPolarHBondContact O-CG2 3.41Å; T144-V148 PolarHBondContact O-N 2.95Å; L145-V148 PolarHBondContact O-N 2.93Å; E146-V148 VanDerWaalsContact C-N 3.33Å; E146-V148 PolarHBondContact O-N 3.28Å; V148-I215 HydrophobicContact CG2-CG2 4.49Å; V148-Q217 WeakPolarHBondContact O-CA 3.36Å; V148-G218 PolarHBondContact O-N 3.1Å; V148-V219 HydrophobicContact CG1-CG1 4.09Å; V148-V219 HydrophobicContact CG2-CG1 4.02Å; V148-V248 HydrophobicContact CG2-CG2 4.11Å; V148-L309 HydrophobicContact CG1-CD2 4.38Å
149Y94.1Very high93.6Very high11 Ų1155.5 Ų55.54%0.04329%0.294CS..Hα-helixtrans-76-44.9177.9179.6-86.4000112L145 E146 E147 H282 L283 D284 G308 L309 R318L145-Y149 PolarHBondContact O-N 3.18Å; E146-Y149 PolarHBondContact O-N 3.27Å; E147-Y149 VanDerWaalsContact C-N 3.3Å; E147-Y149 PolarHBondContact O-N 2.69Å; Y149-H282 AromaticContact CD2-CE1 3.9Å; Y149-H282 AromaticContact CE2-CE1 3.4Å; Y149-H282 VanDerWaalsContact CE2-CE1 3.4Å; Y149-H282 WeakPolarHBondContact CE2-CE1 3.38Å; Y149-H282 AromaticContact CE2-ND1 3.9Å; Y149-H282 AromaticContact CZ-CE1 3.84Å; Y149-H282 AromaticContact CZ-ND1 3.9Å; Y149-L283 HydrophobicContact CD1-CB 4.3Å; Y149-L283 HydrophobicContact CD2-CB 4.45Å; Y149-L283 HydrophobicContact CD2-CD1 4.08Å; Y149-L283 HydrophobicContact CG-CB 4.02Å; Y149-L283 HydrophobicContact CG-CD1 4.16Å; Y149-D284 HydrophobicContact CD1-CB 4.01Å; Y149-D284 HydrophobicContact CE1-CB 3.53Å; Y149-D284 VanDerWaalsContact CE1-OD2 3.25Å; Y149-D284 WeakPolarHBondContact CE1-OD2 3.41Å; Y149-D284 PolarHBondContact OH-OD2 2.89Å; Y149-G308 WeakPolarHBondContact CE2-O 3.25Å; Y149-L309 HydrophobicContact CD2-CD2 4.05Å; Y149-R318 PolarHBondContact OH-NH1 2.75Å
150S92Very high93.3Very high60 Ų6053.1 Ų53.142%0.4228%0.281SS..Hα-helixtrans-88.4-25-174.1-53.40000113.3E146 Q217E146-S150 PolarHBondContact O-N 3.34Å; E146-S150 PolarHBondContact O-OG 3.42Å; S150-Q217 PolarHBondContact O-NE2 3.32Å
151G92.1Very high93.1Very high28 Ų2850.4 Ų50.429%0.28927%0.267SS..  trans81142.2-162.500000110.8E147 I215E147-G151 CarbonylContact O-C 3.22Å; E147-G151 WeakPolarHBondContact O-CA 3.4Å; E147-G151 PolarHBondContact O-N 3.32Å; G151-I215 VanDerWaalsContact CA-O 3.26Å; G151-I215 WeakPolarHBondContact CA-O 3.35Å
152N93.4Very high92.8Very high63 Ų6350.9 Ų50.934%0.33727%0.271SS..EExtended strand (participates in β ladder)trans-148.7157.1176.8-166.417.1000110.9E147 I215E147-N152 HydrophobicContact CB-CB 3.98Å; E147-N152 HydrophobicContact CG-CB 3.88Å; E147-N152 PolarHBondContact OE1-ND2 3.06Å; N152-I215 PolarHBondContact N-O 3.35Å; N152-I215 WeakPolarHBondContact O-CB 3.38Å; N152-I215 PolarHBondContact O-N 2.93Å
153F93.3Very high92.4Very high123 Ų12347.5 Ų47.554%0.53926%0.264SS..EExtended strand (participates in β ladder)trans-106.3118.7168.9-67.3-90.3000108.3E214F153-E214 HydrophobicContact CD1-CB 3.9Å; F153-E214 HydrophobicContact CD1-CG 4.05Å; F153-E214 HydrophobicContact CE1-CB 3.65Å; F153-E214 VanDerWaalsContact CE1-CD 3.48Å; F153-E214 HydrophobicContact CE1-CG 3.45Å; F153-E214 VanDerWaalsContact CE1-CG 3.45Å; F153-E214 HydrophobicContact CZ-CG 3.83Å; F153-E214 WeakPolarHBondContact CZ-OE1 3.41Å
154V93.2Very high92Very high32 Ų3251.7 Ų51.719%0.19428%0.282CS..EExtended strand (participates in β ladder)trans-107.3118.9179.8-178.10000109.3L141 V156 V213 I215L141-V154 HydrophobicContact CD1-CG1 4Å; L141-V154 HydrophobicContact CD2-CB 4.41Å; V154-V156 HydrophobicContact CG1-CG2 4.25Å; V154-V213 PolarHBondContact N-O 2.97Å; V154-V213 PolarHBondContact O-N 3.38Å; V154-I215 HydrophobicContact CB-CD1 4.45Å; V154-I215 HydrophobicContact CG2-CD1 3.44Å; V154-I215 VanDerWaalsContact CG2-CD1 3.44Å; V154-I215 HydrophobicContact CG2-CG1 4.3Å
155E93.5Very high91.6Very high139 Ų13958.2 Ų58.265%0.6531%0.31SS*.EExtended strand (participates in β ladder)trans-85.4122.5174.4-59.2-173.6170.300110E212E155-E212 HydrophobicContact CG-CG 4.25Å
156V92.7Very high91.1Very high30 Ų3059.1 Ų59.118%0.18232%0.318CS..EExtended strand (participates in β ladder)trans-115.1118.8177.7-175.30000109.3L141 V154 L211 V213 F244L141-V156 HydrophobicContact CD1-CG2 3.88Å; V154-V156 HydrophobicContact CG1-CG2 4.25Å; V156-L211 PolarHBondContact N-O 3.15Å; V156-L211 PolarHBondContact O-N 3.32Å; V156-V213 HydrophobicContact CG2-CG2 4.47Å; V156-F244 HydrophobicContact CB-CE1 4.22Å; V156-F244 HydrophobicContact CB-CZ 4.03Å; V156-F244 HydrophobicContact CG1-CE1 3.92Å; V156-F244 HydrophobicContact CG1-CZ 3.98Å; V156-F244 HydrophobicContact CG2-CE1 4.12Å; V156-F244 HydrophobicContact CG2-CZ 4.27Å
157V93Very high90.8Very high95 Ų9560.5 Ų60.558%0.57634%0.336SS*.EExtended strand (participates in β ladder)trans-83.1117.5172.3-177.50000109E208 T210V157-E208 HydrophobicContact CG1-CB 4.39Å; V157-T210 HydrophobicContact CG2-CG2 3.94Å
158R90.3Very high90.4Very high19 Ų1960.9 Ų60.97%0.07235%0.352CS..EExtended strand (participates in β ladder)trans-111.9125.7175-179.4168.9171.9-100.93110.6K160 R209 E230 G231R158-K160 VanDerWaalsContact NH1-CB 3.33Å; R158-R209 PolarHBondContact N-O 3.3Å; R158-R209 PolarHBondContact O-N 2.91Å; R158-E230 PolarHBondContact NH1-O 2.87Å; R158-E230 IonicContact NH1-OE2 2.62Å; R158-E230 PolarHBondContact NH2-O 2.95Å; R158-G231 PolarHBondContact NH2-O 3.24Å
159N90.6Very high89.9Confident85 Ų8567.9 Ų67.946%0.45538%0.382SS..EExtended strand (participates in β ladder)trans-88.4116.9168.3-169.8-25000109N206 E208N159-N206 WeakPolarHBondContact OD1-CB 3.38Å; N159-E208 HydrophobicContact CB-CG 4.39Å
160K88.7Confident89.4Confident15 Ų1570 Ų707%0.06539%0.39CS..EExtended strand (participates in β ladder)trans-128.3142.7-178.481.7178.4-164.11750112.4R158 V162 N206 E207 E230R158-K160 VanDerWaalsContact NH1-CB 3.33Å; K160-V162 HydrophobicContact CG-CG2 3.98Å; K160-V162 PolarHBondContact O-N 3.02Å; K160-N206 WeakPolarHBondContact O-CA 3.47Å; K160-E207 PolarHBondContact N-O 3.26Å; K160-E207 PolarHBondContact O-N 2.87Å; K160-E230 WeakPolarHBondContact CD-OE2 3.31Å; K160-E230 WeakPolarHBondContact CE-OE2 3.33Å; K160-E230 IonicContact NZ-OE1 3.05Å; K160-E230 PolarHBondContact NZ-OE1 2.79Å; K160-E230 IonicContact NZ-OE2 2.75Å; K160-E230 PolarHBondContact NZ-OE2 2.82Å
161P90.3Very high89Confident26 Ų2675.2 Ų75.217%0.16941%0.406CS..EExtended strand (participates in β ladder)trans-69.4128.4168.823.2-24.8000110.2L204 P233P161-L204 HydrophobicContact CB-CB 4.12Å; P161-P233 HydrophobicContact CB-CG 4.1Å; P161-P233 HydrophobicContact CG-CG 3.77Å; P161-P233 WeakPolarHBondContact O-CG 3.42Å
162V88.9Confident88.5Confident29 Ų2974.2 Ų74.218%0.17639%0.394CS..EExtended strand (participates in β ladder)trans-112.8137.3174.3-178.40000109.1K160 K164 L204 V205 E207K160-V162 HydrophobicContact CG-CG2 3.98Å; K160-V162 PolarHBondContact O-N 3.02Å; V162-K164 PolarHBondContact O-N 2.98Å; V162-L204 WeakPolarHBondContact O-CA 3.43Å; V162-V205 PolarHBondContact N-O 2.74Å; V162-V205 PolarHBondContact O-N 3.24Å; V162-E207 HydrophobicContact CG2-CB 3.9Å
163A86.3Confident87.8Confident51 Ų5176.5 Ų76.542%0.42141%0.406SS..EExtended strand (participates in β ladder)trans-66.8115.9172.800000110.6I202 L204A163-I202 HydrophobicContact CB-CG2 3.41Å; A163-I202 VanDerWaalsContact CB-CG2 3.41Å; A163-L204 HydrophobicContact CB-CD2 4.45Å
164K86.3Confident87.4Confident88 Ų8874.1 Ų74.138%0.38340%0.404SS..EExtended strand (participates in β ladder)trans-116.9143.5171.3-66.3-171.9179.6174.40110V162 A166 I202 K203 V205 E207V162-K164 PolarHBondContact O-N 2.98Å; K164-A166 PolarHBondContact O-N 3.41Å; K164-I202 CarbonylContact O-C 3.59Å; K164-I202 WeakPolarHBondContact O-CA 3.36Å; K164-K203 PolarHBondContact N-O 2.79Å; K164-K203 PolarHBondContact O-N 3.06Å; K164-V205 HydrophobicContact CB-CG2 4.42Å; K164-V205 HydrophobicContact CD-CB 4.12Å; K164-V205 HydrophobicContact CD-CG2 4.19Å; K164-V205 HydrophobicContact CG-CG2 4.49Å; K164-E207 WeakPolarHBondContact CE-OE2 3.06Å; K164-E207 IonicContact NZ-OE2 2.77Å; K164-E207 PolarHBondContact NZ-OE2 3.39Å
165E86.9Confident87Confident179 Ų17979 Ų7984%0.83642%0.419SS*.EExtended strand (participates in β ladder)trans-63135.1178.2-64.3-175.8173.200110.7
166A85.9Confident86.8Confident24 Ų2479 Ų7920%0.19842%0.419CS..EExtended strand (participates in β ladder)trans-116.3152.5176.200000109.6K164 N201 K203K164-A166 PolarHBondContact O-N 3.41Å; A166-N201 HydrophobicContact CB-CB 4.31Å; A166-N201 PolarHBondContact N-O 3.21Å; A166-K203 HydrophobicContact CB-CB 4.07Å
167P86.3Confident86.6Confident127 Ų12781.2 Ų81.283%0.82543%0.427SS*.EExtended strand (participates in β ladder)trans-61.3143.317725-33.4000111.4N201P167-N201 PolarHBondContact O-ND2 3.45Å
168G85.8Confident86.3Confident55 Ų5582.5 Ų82.557%0.56743%0.429SS*.EExtended strand (participates in β ladder)trans97.5172.4-179.300000113.9N201G168-N201 VanDerWaalsContact O-CB 3.27Å; G168-N201 WeakPolarHBondContact O-CB 3.48Å; G168-N201 PolarHBondContact O-N 3.17Å
169K84Confident86.2Confident146 Ų14688.6 Ų88.664%0.63545%0.452SS*.EExtended strand (participates in β ladder)trans-118.2140.9173.2-60.2-170-168.8177.30109.4E198 C199K169-E198 HydrophobicContact CB-CB 4.36Å; K169-E198 HydrophobicContact CD-CB 3.76Å; K169-E198 HydrophobicContact CD-CG 4.43Å; K169-E198 VanDerWaalsContact CD-OE2 3.23Å; K169-E198 WeakPolarHBondContact CD-OE2 3.06Å; K169-E198 IonicContact NZ-OE2 3.89Å; K169-E198 PolarHBondContact NZ-OE2 2.85Å; K169-C199 CarbonylContact C-O 3.59Å; K169-C199 VanDerWaalsContact CA-O 3.32Å; K169-C199 WeakPolarHBondContact CA-O 3.31Å; K169-C199 WeakPolarHBondContact CB-O 3.16Å
170R84Confident86Confident56 Ų5688 Ų8821%0.21145%0.452CS..EExtended strand (participates in β ladder)trans-100.5148.4173.368-176.6175100.84.8109.9C199 P200 I235 D236R170-C199 HydrophobicContact CG-CB 3.95Å; R170-C199 PolarHBondContact N-O 3.06Å; R170-C199 PolarHBondContact O-N 2.82Å; R170-P200 PolarHBondContact NE-O 2.96Å; R170-P200 VanDerWaalsContact NE-O 3.12Å; R170-I235 PolarHBondContact NH2-O 3.15Å; R170-D236 IonicContact CZ-OD1 3.16Å; R170-D236 IonicContact CZ-OD2 3.85Å; R170-D236 VanDerWaalsContact NH1-CG 3.28Å; R170-D236 IonicContact NH1-OD1 2.68Å; R170-D236 PolarHBondContact NH1-OD1 2.82Å; R170-D236 IonicContact NH1-OD2 2.98Å; R170-D236 PolarHBondContact NH1-OD2 3.27Å; R170-D236 IonicContact NH2-OD1 2.75Å; R170-D236 PolarHBondContact NH2-OD1 3.46Å; R170-D236 IonicContact NH2-OD2 3.81Å
171K84.2Confident86Confident170 Ų17090.3 Ų90.374%0.73947%0.467SS*.EExtended strand (participates in β ladder)trans-79.2125.8172.6-68.2-177.4179.2-175.10109C196 D197K171-C196 HydrophobicContact CB-CB 3.84Å; K171-C196 HydrophobicContact CD-CB 4.41Å; K171-C196 HydrophobicContact CG-CB 4.3Å; K171-D197 WeakPolarHBondContact CA-O 3.33Å
172C80.5Confident86Confident7 Ų794.9 Ų94.95%0.04749%0.486CS..EExtended strand (participates in β ladder)trans-132168.6-179.461.10000110C174 D197 C199C172-C174 PolarHBondContact O-N 3.41Å; C172-C174 VanDerWaalsContact O-N 3.08Å; C172-D197 PolarHBondContact N-O 2.89Å; C172-D197 PolarHBondContact O-N 3.04Å; C172-D197 PolarHBondContact SG-O 2.83Å; C172-C199 HydrophobicContact CB-CB 3.71Å; C172-C199 WeakPolarHBondContact CB-SG 3.39Å; C172-C199 WeakPolarHBondContact SG-CB 3.3Å; C172-C199 PolarHBondContact SG-N 3.43Å; C172-C199 VanDerWaalsContact SG-N 3.44Å; C172-C199 CovalentContact SG-SG 2.01Å; C172-C199 PolarHBondContact SG-SG 2.8Å
173N79.9Confident85.9Confident110 Ų11098.8 Ų98.859%0.58851%0.505SS*.EExtended strand (participates in β ladder)trans4940.4175.8-61.8-21.3000114.6R175 D197N173-R175 PolarHBondContact O-N 2.83Å; N173-D197 HydrophobicContact CB-CB 4.39Å; N173-D197 WeakPolarHBondContact CB-OD2 3.27Å
174C83.6Confident86.1Confident74 Ų7497.4 Ų97.450%0.550%0.496SS..EExtended strand (participates in β ladder)trans-62.9119.8179.9-64.20000110.9C172 V194 V195 C196C172-C174 PolarHBondContact O-N 3.41Å; C172-C174 VanDerWaalsContact O-N 3.08Å; C174-V194 HydrophobicContact CB-CG1 3.84Å; C174-V195 CarbonylContact C-O 3.59Å; C174-V195 WeakPolarHBondContact CA-O 3.16Å; C174-C196 HydrophobicContact CB-CB 4.05Å; C174-C196 WeakPolarHBondContact CB-SG 3.35Å; C174-C196 WeakPolarHBondContact SG-CB 3.35Å; C174-C196 CovalentContact SG-SG 2.04Å; C174-C196 PolarHBondContact SG-SG 2.81Å
175R86.1Confident86.1Confident134 Ų13499.7 Ų99.751%0.50652%0.519SS..EExtended strand (participates in β ladder)trans-123151.5176.363.4-174.3-169.9-127.4-1.8110.9N173 E177 V195N173-R175 PolarHBondContact O-N 2.83Å; R175-E177 HydrophobicContact CG-CG 4.21Å; R175-E177 IonicContact CZ-OE1 3.21Å; R175-E177 IonicContact NE-OE1 2.82Å; R175-E177 PolarHBondContact NE-OE1 3.09Å; R175-E177 IonicContact NH2-OE1 2.79Å; R175-E177 PolarHBondContact NH2-OE1 3.46Å; R175-V195 PolarHBondContact N-O 2.89Å; R175-V195 PolarHBondContact O-N 2.87Å
176Q87.9Confident86.1Confident139 Ų13994.5 Ų94.565%0.6551%0.514SS*.EExtended strand (participates in β ladder)trans-85.3118.3176.3-70.3178.9-18.100109Q192 V194Q176-Q192 HydrophobicContact CB-CG 4.33Å; Q176-V194 HydrophobicContact CG-CG2 4.35Å
177E88.2Confident86.2Confident76 Ų76102.3 Ų102.336%0.35554%0.539SS..EExtended strand (participates in β ladder)trans-118139.7174.9-68.3-172.2172.300110.3R175 R179 E193 V195R175-E177 HydrophobicContact CG-CG 4.21Å; R175-E177 IonicContact CZ-OE1 3.21Å; R175-E177 IonicContact NE-OE1 2.82Å; R175-E177 PolarHBondContact NE-OE1 3.09Å; R175-E177 IonicContact NH2-OE1 2.79Å; R175-E177 PolarHBondContact NH2-OE1 3.46Å; E177-R179 PolarHBondContact O-N 3.42Å; E177-E193 PolarHBondContact N-O 2.7Å; E177-E193 PolarHBondContact O-N 3.38Å; E177-V195 HydrophobicContact CB-CG2 4.12Å; E177-V195 HydrophobicContact CG-CG2 4.36Å
178M87.3Confident86.4Confident123 Ų123102.5 Ų102.561%0.60653%0.527SS*.EExtended strand (participates in β ladder)trans-83.8111.1173.5-73.3-69.2-175.600108.9Q192M178-Q192 HydrophobicContact CE-CB 4.23Å; M178-Q192 HydrophobicContact CE-CG 4.36Å; M178-Q192 HydrophobicContact SD-CB 3.98Å; M178-Q192 HydrophobicContact SD-CG 4.43Å
179R87.7Confident86.6Confident146 Ų146104.5 Ų104.555%0.55152%0.521SS*.EExtended strand (participates in β ladder)trans-101.3121.3176.3-165.6176.5-178.9-169.50.9110E177 T191 E193E177-R179 PolarHBondContact O-N 3.42Å; R179-T191 PolarHBondContact N-O 3.47Å; R179-T191 PolarHBondContact O-N 3.26Å; R179-T191 PolarHBondContact O-OG1 3.41Å; R179-E193 WeakPolarHBondContact CD-OE2 3.48Å; R179-E193 IonicContact CZ-OE2 3.96Å; R179-E193 IonicContact NE-OE2 3.5Å; R179-E193 IonicContact NH1-OE1 3.83Å; R179-E193 IonicContact NH1-OE2 2.72Å; R179-E193 PolarHBondContact NH1-OE2 3.03Å
180T87.7Confident86.8Confident74 Ų74103.8 Ų103.845%0.45452%0.522SS..EExtended strand (participates in β ladder)trans-90116.4176.4-54.70000109.4F188 Q189 M190T180-F188 HydrophobicContact CG2-CB 3.86Å; T180-F188 HydrophobicContact CG2-CD1 4.19Å; T180-F188 HydrophobicContact CG2-CG 4.36Å; T180-Q189 WeakPolarHBondContact CA-O 3.37Å; T180-M190 HydrophobicContact CG2-CG 4.34Å; T180-M190 WeakPolarHBondContact OG1-CE 3.5Å
181T88.9Confident87.1Confident62 Ų62103.6 Ų103.638%0.3853%0.527SS..EExtended strand (participates in β ladder)trans-106.5128.2176.4-54.60000109.6Q189T181-Q189 PolarHBondContact N-O 2.78Å; T181-Q189 PolarHBondContact O-N 3.47Å
182Q89.4Confident87.3Confident123 Ų123100.9 Ų100.958%0.57552%0.517SS*.EExtended strand (participates in β ladder)trans-81119.2176.9-173.5173.650.700109.9G184 F188Q182-G184 WeakPolarHBondContact CG-O 3.49Å; Q182-F188 HydrophobicContact CB-CD1 3.91Å; Q182-F188 HydrophobicContact CB-CE1 3.92Å; Q182-F188 HydrophobicContact CG-CD1 3.98Å; Q182-F188 HydrophobicContact CG-CE1 3.69Å; Q182-F188 HydrophobicContact CG-CZ 4.5Å
183L87.6Confident87.7Confident111 Ų111104.5 Ų104.558%0.58153%0.533SS*.EExtended strand (participates in β ladder)trans-95.33.7178.5-65.3173.2000112.6R187 Q189L183-R187 HydrophobicContact CB-CB 4.31Å; L183-R187 PolarHBondContact N-O 3.48Å; L183-Q189 HydrophobicContact CD1-CB 3.73Å; L183-Q189 HydrophobicContact CG-CB 4.29Å
184G90Very high88.1Confident22 Ų22103.4 Ų103.423%0.22753%0.531CS..EExtended strand (participates in β ladder)trans146.3-175.3178.500000112.7Q182 G186 R187Q182-G184 WeakPolarHBondContact CG-O 3.49Å; G184-G186 PolarHBondContact O-N 2.82Å; G184-G186 VanDerWaalsContact O-N 3.14Å; G184-R187 PolarHBondContact O-N 2.91Å; G184-R187 VanDerWaalsContact O-N 3.16Å
185P87.3Confident88.3Confident135 Ų135102.2 Ų102.288%0.87752%0.521SS*.THydrogen-bonded Turntrans-59.2118.1178.1-21.432.7000111R187P185-R187 VanDerWaalsContact C-N 3.29Å; P185-R187 PolarHBondContact O-N 3.4Å
186G85.8Confident88.2Confident71 Ų7197.5 Ų97.573%0.73251%0.508SS*.THydrogen-bonded Turntrans73.18.8179.300000116G184G184-G186 PolarHBondContact O-N 2.82Å; G184-G186 VanDerWaalsContact O-N 3.14Å
187R88.4Confident88.1Confident187 Ų18794.1 Ų94.171%0.70649%0.494SS*.EExtended strand (participates in β ladder)trans-120.8115.2178.1-63.2-178.3-177-174.40.2110.6L183 G184 P185L183-R187 HydrophobicContact CB-CB 4.31Å; L183-R187 PolarHBondContact N-O 3.48Å; G184-R187 PolarHBondContact O-N 2.91Å; G184-R187 VanDerWaalsContact O-N 3.16Å; P185-R187 VanDerWaalsContact C-N 3.29Å; P185-R187 PolarHBondContact O-N 3.4Å
188F89.3Confident88Confident132 Ų13297 Ų9758%0.57951%0.507SS*.EExtended strand (participates in β ladder)trans-122.6137.3175.4-56.5-81.4000109.5T180 Q182T180-F188 HydrophobicContact CG2-CB 3.86Å; T180-F188 HydrophobicContact CG2-CD1 4.19Å; T180-F188 HydrophobicContact CG2-CG 4.36Å; Q182-F188 HydrophobicContact CB-CD1 3.91Å; Q182-F188 HydrophobicContact CB-CE1 3.92Å; Q182-F188 HydrophobicContact CG-CD1 3.98Å; Q182-F188 HydrophobicContact CG-CE1 3.69Å; Q182-F188 HydrophobicContact CG-CZ 4.5Å
189Q90.5Very high87.7Confident96 Ų9692.3 Ų92.345%0.44949%0.487SS..EExtended strand (participates in β ladder)trans-112.8122.4170.9-178.5177.51.300108.3T180 T181 L183 T191T180-Q189 WeakPolarHBondContact CA-O 3.37Å; T181-Q189 PolarHBondContact N-O 2.78Å; T181-Q189 PolarHBondContact O-N 3.47Å; L183-Q189 HydrophobicContact CD1-CB 3.73Å; L183-Q189 HydrophobicContact CG-CB 4.29Å; Q189-T191 HydrophobicContact CG-CG2 4.26Å
190M89.1Confident87.5Confident131 Ų13189.1 Ų89.165%0.64549%0.485SS*.EExtended strand (participates in β ladder)trans-88.1118.8168.7-58.2-173.797.700107.7T180T180-M190 HydrophobicContact CG2-CG 4.34Å; T180-M190 WeakPolarHBondContact OG1-CE 3.5Å
191T90Very high87.5Confident53 Ų5388.4 Ų88.433%0.32548%0.479SS..EExtended strand (participates in β ladder)trans-117.6133.5176.921.50000109R179 Q189 E193R179-T191 PolarHBondContact N-O 3.47Å; R179-T191 PolarHBondContact O-N 3.26Å; R179-T191 PolarHBondContact O-OG1 3.41Å; Q189-T191 HydrophobicContact CG-CG2 4.26Å; T191-E193 PolarHBondContact O-N 2.89Å
192Q88.8Confident87.3Confident112 Ų11287.9 Ų87.952%0.52347%0.473SS..EExtended strand (participates in β ladder)trans-77.8113.2172.3-169.5174.210.300108.4Q176 M178Q176-Q192 HydrophobicContact CB-CG 4.33Å; M178-Q192 HydrophobicContact CE-CB 4.23Å; M178-Q192 HydrophobicContact CE-CG 4.36Å; M178-Q192 HydrophobicContact SD-CB 3.98Å; M178-Q192 HydrophobicContact SD-CG 4.43Å
193E89.3Confident87.3Confident83 Ų8388.5 Ų88.539%0.38847%0.474SS..EExtended strand (participates in β ladder)trans-111.5137.8178.5-169.5170.1-171.800108.9E177 R179 T191 V195E177-E193 PolarHBondContact N-O 2.7Å; E177-E193 PolarHBondContact O-N 3.38Å; R179-E193 WeakPolarHBondContact CD-OE2 3.48Å; R179-E193 IonicContact CZ-OE2 3.96Å; R179-E193 IonicContact NE-OE2 3.5Å; R179-E193 IonicContact NH1-OE1 3.83Å; R179-E193 IonicContact NH1-OE2 2.72Å; R179-E193 PolarHBondContact NH1-OE2 3.03Å; T191-E193 PolarHBondContact O-N 2.89Å; E193-V195 PolarHBondContact O-N 3.39Å
194V87.8Confident87.4Confident88 Ų8886.9 Ų86.953%0.53347%0.465SS..EExtended strand (participates in β ladder)trans-86.9107.7172.9-179.30000107.5C174 Q176C174-V194 HydrophobicContact CB-CG1 3.84Å; Q176-V194 HydrophobicContact CG-CG2 4.35Å
195V86.4Confident87.4Confident48 Ų4888.4 Ų88.429%0.29147%0.47SS..EExtended strand (participates in β ladder)trans-96.6124.8176.8-177.80000107.8C174 R175 E177 E193C174-V195 CarbonylContact C-O 3.59Å; C174-V195 WeakPolarHBondContact CA-O 3.16Å; R175-V195 PolarHBondContact N-O 2.89Å; R175-V195 PolarHBondContact O-N 2.87Å; E177-V195 HydrophobicContact CB-CG2 4.12Å; E177-V195 HydrophobicContact CG-CG2 4.36Å; E193-V195 PolarHBondContact O-N 3.39Å
196C84.6Confident87.6Confident35 Ų3587.3 Ų87.324%0.23646%0.457CS..EExtended strand (participates in β ladder)trans-118.5145177.2-51.10000109.7K171 C174K171-C196 HydrophobicContact CB-CB 3.84Å; K171-C196 HydrophobicContact CD-CB 4.41Å; K171-C196 HydrophobicContact CG-CB 4.3Å; C174-C196 HydrophobicContact CB-CB 4.05Å; C174-C196 WeakPolarHBondContact CB-SG 3.35Å; C174-C196 WeakPolarHBondContact SG-CB 3.35Å; C174-C196 CovalentContact SG-SG 2.04Å; C174-C196 PolarHBondContact SG-SG 2.81Å
197D85.5Confident87.9Confident68 Ų6887 Ų8736%0.36444%0.436SS..EExtended strand (participates in β ladder)trans-75.5153.6170.7-62.2-31.6000110.1K171 C172 N173K171-D197 WeakPolarHBondContact CA-O 3.33Å; C172-D197 PolarHBondContact N-O 2.89Å; C172-D197 PolarHBondContact O-N 3.04Å; C172-D197 PolarHBondContact SG-O 2.83Å; N173-D197 HydrophobicContact CB-CB 4.39Å; N173-D197 WeakPolarHBondContact CB-OD2 3.27Å
198E86.3Confident88.1Confident136 Ų13684.9 Ų84.964%0.63643%0.434SS*.EExtended strand (participates in β ladder)trans-94.8102.7174.3-62.3-172.2159.600110.5K169K169-E198 HydrophobicContact CB-CB 4.36Å; K169-E198 HydrophobicContact CD-CB 3.76Å; K169-E198 HydrophobicContact CD-CG 4.43Å; K169-E198 VanDerWaalsContact CD-OE2 3.23Å; K169-E198 WeakPolarHBondContact CD-OE2 3.06Å; K169-E198 IonicContact NZ-OE2 3.89Å; K169-E198 PolarHBondContact NZ-OE2 2.85Å
199C82.1Confident88.1Confident25 Ų2582.9 Ų82.917%0.16942%0.423CS..EExtended strand (participates in β ladder)trans-91.1154.8174.4-74.80000112K169 R170 C172K169-C199 CarbonylContact C-O 3.59Å; K169-C199 VanDerWaalsContact CA-O 3.32Å; K169-C199 WeakPolarHBondContact CA-O 3.31Å; K169-C199 WeakPolarHBondContact CB-O 3.16Å; R170-C199 HydrophobicContact CG-CB 3.95Å; R170-C199 PolarHBondContact N-O 3.06Å; R170-C199 PolarHBondContact O-N 2.82Å; C172-C199 HydrophobicContact CB-CB 3.71Å; C172-C199 WeakPolarHBondContact CB-SG 3.39Å; C172-C199 WeakPolarHBondContact SG-CB 3.3Å; C172-C199 PolarHBondContact SG-N 3.43Å; C172-C199 VanDerWaalsContact SG-N 3.44Å; C172-C199 CovalentContact SG-SG 2.01Å; C172-C199 PolarHBondContact SG-SG 2.8Å
200P83.1Confident88.3Confident80 Ų8082.9 Ų82.952%0.51943%0.429SS..EExtended strand (participates in β ladder)trans-55.6139.8167.3-22.433.1000111.4R170R170-P200 PolarHBondContact NE-O 2.96Å; R170-P200 VanDerWaalsContact NE-O 3.12Å
201N86.5Confident88.5Confident59 Ų5977.4 Ų77.432%0.31640%0.403SS..EExtended strand (participates in β ladder)trans-77.9134.9170.6-166.820.6000109.2A166 P167 G168A166-N201 HydrophobicContact CB-CB 4.31Å; A166-N201 PolarHBondContact N-O 3.21Å; P167-N201 PolarHBondContact O-ND2 3.45Å; G168-N201 VanDerWaalsContact O-CB 3.27Å; G168-N201 WeakPolarHBondContact O-CB 3.48Å; G168-N201 PolarHBondContact O-N 3.17Å
202I86.3Confident88.7Confident50 Ų5080.8 Ų80.826%0.25642%0.415SS..EExtended strand (participates in β ladder)trans-126135.3-174.4-59.2173.2000108A163 K164A163-I202 HydrophobicContact CB-CG2 3.41Å; A163-I202 VanDerWaalsContact CB-CG2 3.41Å; K164-I202 CarbonylContact O-C 3.59Å; K164-I202 WeakPolarHBondContact O-CA 3.36Å
203K88.3Confident89Confident137 Ų13775.5 Ų75.560%0.59639%0.39SS*.EExtended strand (participates in β ladder)trans-114.5133.7171.9-177179.1179.8-176.20109.3K164 A166 V205K164-K203 PolarHBondContact N-O 2.79Å; K164-K203 PolarHBondContact O-N 3.06Å; A166-K203 HydrophobicContact CB-CB 4.07Å; K203-V205 HydrophobicContact CG-CG2 4.39Å
204L89.5Confident89.2Confident77 Ų7776.5 Ų76.540%0.40340%0.395SS..EExtended strand (participates in β ladder)trans-79.2125.8172.4-63176.6000109.5P161 V162 A163 P233P161-L204 HydrophobicContact CB-CB 4.12Å; V162-L204 WeakPolarHBondContact O-CA 3.43Å; A163-L204 HydrophobicContact CB-CD2 4.45Å; L204-P233 HydrophobicContact CD2-CB 4.22Å; L204-P233 HydrophobicContact CD2-CG 3.91Å
205V91.1Very high89.5Confident54 Ų5472.4 Ų72.433%0.32737%0.37SS..EExtended strand (participates in β ladder)trans-126.6129176.4-178.30000108.5V162 K164 K203 E207V162-V205 PolarHBondContact N-O 2.74Å; V162-V205 PolarHBondContact O-N 3.24Å; K164-V205 HydrophobicContact CB-CG2 4.42Å; K164-V205 HydrophobicContact CD-CB 4.12Å; K164-V205 HydrophobicContact CD-CG2 4.19Å; K164-V205 HydrophobicContact CG-CG2 4.49Å; K203-V205 HydrophobicContact CG-CG2 4.39Å; V205-E207 PolarHBondContact O-N 3.27Å
206N91.9Very high89.8Confident111 Ų11174.1 Ų74.159%0.59438%0.375SS*.EExtended strand (participates in β ladder)trans-66.7130.4177.7-76.14.6000110.9N159 K160N159-N206 WeakPolarHBondContact OD1-CB 3.38Å; K160-N206 WeakPolarHBondContact O-CA 3.47Å
207E91.4Very high90.2Very high65 Ų6575.9 Ų75.930%0.30438%0.38SS..EExtended strand (participates in β ladder)trans-135.2137.3178.8-165.1168.7125.700108.9K160 V162 K164 V205K160-E207 PolarHBondContact N-O 3.26Å; K160-E207 PolarHBondContact O-N 2.87Å; V162-E207 HydrophobicContact CG2-CB 3.9Å; K164-E207 WeakPolarHBondContact CE-OE2 3.06Å; K164-E207 IonicContact NZ-OE2 2.77Å; K164-E207 PolarHBondContact NZ-OE2 3.39Å; V205-E207 PolarHBondContact O-N 3.27Å
208E92.4Very high90.6Very high142 Ų14272.6 Ų72.666%0.66436%0.362SS*.EExtended strand (participates in β ladder)trans-85.9131.9176.1-66.9179.4173.400109.6V157 N159V157-E208 HydrophobicContact CG1-CB 4.39Å; N159-E208 HydrophobicContact CB-CG 4.39Å
209R90.3Very high90.9Very high90 Ų9066.1 Ų66.134%0.3433%0.332SS..EExtended strand (participates in β ladder)trans-127.3134172.3-70.4-165.3175.2-178.1-5.6109.8R158 E230R158-R209 PolarHBondContact N-O 3.3Å; R158-R209 PolarHBondContact O-N 2.91Å; R209-E230 IonicContact CZ-OE1 3.86Å; R209-E230 IonicContact NH1-OE1 3.89Å; R209-E230 PolarHBondContact NH1-OE1 3.21Å
210T93.3Very high91.4Very high96 Ų9671.2 Ų71.259%0.58935%0.348SS*.EExtended strand (participates in β ladder)trans-86.6125.1169.444.80000109V157V157-T210 HydrophobicContact CG2-CG2 3.94Å
211L93.4Very high91.9Very high16 Ų1671.5 Ų71.58%0.08435%0.345CS..EExtended strand (participates in β ladder)trans-112.5131.2173.5-61176.9000108.5V156 F227 E230 L242 F244V156-L211 PolarHBondContact N-O 3.15Å; V156-L211 PolarHBondContact O-N 3.32Å; L211-F227 HydrophobicContact CB-CE1 4.21Å; L211-F227 HydrophobicContact CD1-CD1 4.39Å; L211-F227 HydrophobicContact CD2-CD1 4.08Å; L211-F227 HydrophobicContact CD2-CE1 4.35Å; L211-E230 HydrophobicContact CD2-CG 4.22Å; L211-L242 HydrophobicContact CD1-CD2 3.45Å; L211-L242 VanDerWaalsContact CD1-CD2 3.45Å; L211-F244 HydrophobicContact CB-CE2 4.39Å; L211-F244 HydrophobicContact CD1-CE2 3.95Å; L211-F244 HydrophobicContact CD1-CZ 4.14Å
212E94.1Very high92.3Very high124 Ų12475.4 Ų75.458%0.57936%0.361SS*.EExtended strand (participates in β ladder)trans-99.2119.5177.4-64.7178.5-170.200108.6E155 F227E155-E212 HydrophobicContact CG-CG 4.25Å; E212-F227 WeakPolarHBondContact O-CZ 3.23Å
213V94.7Very high92.6Very high2 Ų275.9 Ų75.91%0.01236%0.363CS..EExtended strand (participates in β ladder)trans-105.6117.3176.1-1730000108.4L141 V154 V156 Y225 F227 F244L141-V213 HydrophobicContact CD2-CB 4.07Å; L141-V213 HydrophobicContact CD2-CG1 3.92Å; L141-V213 HydrophobicContact CD2-CG2 4.37Å; V154-V213 PolarHBondContact N-O 2.97Å; V154-V213 PolarHBondContact O-N 3.38Å; V156-V213 HydrophobicContact CG2-CG2 4.47Å; V213-Y225 HydrophobicContact CG1-CG 4.49Å; V213-F227 HydrophobicContact CG2-CE2 3.94Å; V213-F227 HydrophobicContact CG2-CZ 3.89Å; V213-F244 HydrophobicContact CG2-CD2 3.6Å; V213-F244 HydrophobicContact CG2-CE2 3.76Å; V213-F244 HydrophobicContact CG2-CG 4Å; V213-F244 HydrophobicContact CG2-CZ 4.33Å
214E93.4Very high92.8Very high104 Ų10472.5 Ų72.549%0.48635%0.349SS..EExtended strand (participates in β ladder)trans-81.8117.1173-176.8171-168.200109.7F153 E216F153-E214 HydrophobicContact CD1-CB 3.9Å; F153-E214 HydrophobicContact CD1-CG 4.05Å; F153-E214 HydrophobicContact CE1-CB 3.65Å; F153-E214 VanDerWaalsContact CE1-CD 3.48Å; F153-E214 HydrophobicContact CE1-CG 3.45Å; F153-E214 VanDerWaalsContact CE1-CG 3.45Å; F153-E214 HydrophobicContact CZ-CG 3.83Å; F153-E214 WeakPolarHBondContact CZ-OE1 3.41Å; E214-E216 PolarHBondContact O-N 2.88Å
215I94.8Very high93Very high2 Ų270.6 Ų70.61%0.0134%0.337CS..EExtended strand (participates in β ladder)trans-89.7101.3172.9-57.6172.2000107.2V143 V148 G151 N152 V154 V219V143-I215 HydrophobicContact CB-CD1 4.03Å; V143-I215 HydrophobicContact CG1-CD1 3.35Å; V143-I215 HydrophobicContact CG1-CG1 4.28Å; V148-I215 HydrophobicContact CG2-CG2 4.49Å; G151-I215 VanDerWaalsContact CA-O 3.26Å; G151-I215 WeakPolarHBondContact CA-O 3.35Å; N152-I215 PolarHBondContact N-O 3.35Å; N152-I215 WeakPolarHBondContact O-CB 3.38Å; N152-I215 PolarHBondContact O-N 2.93Å; V154-I215 HydrophobicContact CB-CD1 4.45Å; V154-I215 HydrophobicContact CG2-CD1 3.44Å; V154-I215 VanDerWaalsContact CG2-CD1 3.44Å; V154-I215 HydrophobicContact CG2-CG1 4.3Å; I215-V219 HydrophobicContact CG2-CG1 3.74Å
216E92.9Very high93.2Very high83 Ų8372.1 Ų72.139%0.38835%0.348SS..  trans-66.9150.4175.3-64.8-176.3163.900111.8E214 G218 V219 F312E214-E216 PolarHBondContact O-N 2.88Å; E216-G218 PolarHBondContact O-N 3.44Å; E216-V219 WeakPolarHBondContact O-CB 3.42Å; E216-V219 PolarHBondContact O-N 3.31Å; E216-F312 HydrophobicContact CB-CE2 3.96Å; E216-F312 WeakPolarHBondContact OE2-CE2 3.34Å; E216-F312 WeakPolarHBondContact OE2-CZ 3.19Å
217Q93.8Very high93.3Very high72 Ų7269.1 Ų69.134%0.33633%0.33SS..THydrogen-bonded Turntrans-62.5131.5179-70.2174.916.800111.1V148 S150 V219 P310V148-Q217 WeakPolarHBondContact O-CA 3.36Å; S150-Q217 PolarHBondContact O-NE2 3.32Å; Q217-V219 PolarHBondContact O-N 3.38Å; Q217-P310 HydrophobicContact CB-CB 4.49Å; Q217-P310 HydrophobicContact CB-CG 3.85Å
218G92.3Very high93.4Very high0 Ų073 Ų730%035%0.351CS..THydrogen-bonded Turntrans76.48.4178.400000114.5V148 E216 R220 R256 P310V148-G218 PolarHBondContact O-N 3.1Å; E216-G218 PolarHBondContact O-N 3.44Å; G218-R220 PolarHBondContact O-N 3.06Å; G218-R256 PolarHBondContact O-NH2 3.42Å; G218-P310 VanDerWaalsContact CA-O 3.23Å; G218-P310 WeakPolarHBondContact CA-O 3.41Å
219V94.1Very high93.3Very high0 Ų067.3 Ų67.30%033%0.33CS..PPolyproline II helixtrans-48.6138179.272.10000112V148 I215 E216 Q217 M223 Y225 I246 R256 F312V148-V219 HydrophobicContact CG1-CG1 4.09Å; V148-V219 HydrophobicContact CG2-CG1 4.02Å; I215-V219 HydrophobicContact CG2-CG1 3.74Å; E216-V219 WeakPolarHBondContact O-CB 3.42Å; E216-V219 PolarHBondContact O-N 3.31Å; Q217-V219 PolarHBondContact O-N 3.38Å; V219-M223 HydrophobicContact CG2-CB 4.08Å; V219-M223 HydrophobicContact CG2-CG 4.23Å; V219-M223 HydrophobicContact CG2-SD 3.66Å; V219-Y225 HydrophobicContact CG2-CE2 3.97Å; V219-I246 HydrophobicContact CB-CD1 4.45Å; V219-I246 HydrophobicContact CG1-CD1 4.02Å; V219-I246 HydrophobicContact CG1-CG2 4.32Å; V219-I246 HydrophobicContact CG2-CD1 3.68Å; V219-R256 PolarHBondContact O-NH1 3.39Å; V219-R256 PolarHBondContact O-NH2 2.78Å; V219-F312 HydrophobicContact CB-CD2 4.34Å; V219-F312 HydrophobicContact CB-CE2 4.37Å; V219-F312 HydrophobicContact CG2-CE2 4.24Å
220R93Very high93.4Very high132 Ų13264.1 Ų64.150%0.49832%0.319SS..PPolyproline II helixtrans-79.7152.9-175.8-62.2-179-173.3165.58.6110.8G218 M223 D313G218-R220 PolarHBondContact O-N 3.06Å; R220-M223 VanDerWaalsContact O-CB 3.29Å; R220-M223 WeakPolarHBondContact O-CB 3.16Å; R220-M223 PolarHBondContact O-N 3.36Å; R220-D313 IonicContact NH2-OD2 3.62Å; R220-D313 PolarHBondContact NH2-OD2 2.83Å
221D93.4Very high93.3Very high85 Ų8559.7 Ų59.746%0.45529%0.292SS..THydrogen-bonded Turntrans-63.3145.9170.6-163.239.9000110M223 K247 V248D221-M223 PolarHBondContact O-N 3.46Å; D221-K247 WeakPolarHBondContact OD1-CA 3.38Å; D221-V248 HydrophobicContact CB-CG2 4.25Å; D221-V248 PolarHBondContact OD1-N 3.22Å
222E93.2Very high93.3Very high142 Ų14262.6 Ų62.666%0.66431%0.305SS*.THydrogen-bonded Turntrans63.910.7-175.3-51.9-173.2152.100115.9R245 I246E222-R245 HydrophobicContact CB-CG 4.5Å; E222-I246 VanDerWaalsContact CA-O 3.29Å; E222-I246 WeakPolarHBondContact CA-O 3.26Å; E222-I246 PolarHBondContact N-O 3.27Å
223M92.8Very high93.1Very high60 Ų6058 Ų5830%0.29629%0.287SS..  trans-68.1135.3175.4-172.9159.6178.800111.3V219 R220 D221 Y225 I246 F312V219-M223 HydrophobicContact CG2-CB 4.08Å; V219-M223 HydrophobicContact CG2-CG 4.23Å; V219-M223 HydrophobicContact CG2-SD 3.66Å; R220-M223 VanDerWaalsContact O-CB 3.29Å; R220-M223 WeakPolarHBondContact O-CB 3.16Å; R220-M223 PolarHBondContact O-N 3.36Å; D221-M223 PolarHBondContact O-N 3.46Å; M223-Y225 HydrophobicContact CG-CE2 4.22Å; M223-I246 PolarHBondContact O-N 2.74Å; M223-F312 HydrophobicContact CE-CE1 3.94Å; M223-F312 HydrophobicContact CE-CE2 4.18Å; M223-F312 HydrophobicContact CE-CZ 3.46Å; M223-F312 VanDerWaalsContact CE-CZ 3.46Å; M223-F312 HydrophobicContact SD-CE1 4.35Å; M223-F312 HydrophobicContact SD-CE2 4.09Å; M223-F312 HydrophobicContact SD-CZ 3.89Å
224E94.1Very high92.8Very high66 Ų6661.3 Ų61.331%0.30830%0.302SS..EExtended strand (participates in β ladder)trans-103.1130.5-177.6-65.4-173.1171.700112.1R243 F244 R245E224-R243 HydrophobicContact CB-CB 4.46Å; E224-R243 VanDerWaalsContact OE2-CD 3.25Å; E224-R243 WeakPolarHBondContact OE2-CD 3.34Å; E224-R243 IonicContact OE2-NH1 3.67Å; E224-R243 PolarHBondContact OE2-NH1 3.29Å; E224-F244 CarbonylContact C-O 3.52Å; E224-F244 VanDerWaalsContact CA-O 3.26Å; E224-F244 WeakPolarHBondContact CA-O 3.45Å; E224-R245 HydrophobicContact CG-CB 4.25Å; E224-R245 HydrophobicContact CG-CG 4.42Å; E224-R245 IonicContact OE1-CZ 3.84Å; E224-R245 IonicContact OE1-NE 2.69Å; E224-R245 PolarHBondContact OE1-NE 3.33Å; E224-R245 IonicContact OE1-NH2 3.23Å; E224-R245 PolarHBondContact OE1-NH2 2.72Å
225Y93.8Very high92.4Very high37 Ų3760.2 Ų60.215%0.14530%0.299CS..EExtended strand (participates in β ladder)trans-106.3113.1172.7-79-97.2000110.4V213 V219 M223 R243 F244 I246V213-Y225 HydrophobicContact CG1-CG 4.49Å; V219-Y225 HydrophobicContact CG2-CE2 3.97Å; M223-Y225 HydrophobicContact CG-CE2 4.22Å; Y225-R243 WeakPolarHBondContact O-CA 3.48Å; Y225-F244 PolarHBondContact N-O 2.89Å; Y225-F244 PolarHBondContact O-N 3.49Å; Y225-I246 HydrophobicContact CD2-CD1 3.66Å; Y225-I246 HydrophobicContact CD2-CG1 4.11Å; Y225-I246 HydrophobicContact CE2-CD1 3.32Å; Y225-I246 HydrophobicContact CE2-CG1 4.23Å
226P94.4Very high91.8Very high86 Ų8663.8 Ų63.856%0.55832%0.317SS*.EExtended strand (participates in β ladder)trans-85.9135.7-176.132.7-33.6000112.9L242P226-L242 CarbonylContact C-O 3.56Å
227F94.4Very high91.5Very high47 Ų4761 Ų6121%0.20631%0.311CS..EExtended strand (participates in β ladder)trans-117.6105171-74-100.3000108.5L211 E212 V213 E230 L242 F244L211-F227 HydrophobicContact CB-CE1 4.21Å; L211-F227 HydrophobicContact CD1-CD1 4.39Å; L211-F227 HydrophobicContact CD2-CD1 4.08Å; L211-F227 HydrophobicContact CD2-CE1 4.35Å; E212-F227 WeakPolarHBondContact O-CZ 3.23Å; V213-F227 HydrophobicContact CG2-CE2 3.94Å; V213-F227 HydrophobicContact CG2-CZ 3.89Å; F227-E230 HydrophobicContact CB-CB 3.88Å; F227-E230 HydrophobicContact CB-CG 4.13Å; F227-E230 PolarHBondContact O-N 2.82Å; F227-L242 HydrophobicContact CB-CB 4.2Å; F227-L242 PolarHBondContact N-O 3.08Å; F227-L242 PolarHBondContact O-N 3.15Å; F227-F244 AromaticContact CD2-CD2 3.54Å; F227-F244 HydrophobicContact CD2-CD2 3.54Å; F227-F244 AromaticContact CD2-CE2 3.79Å; F227-F244 HydrophobicContact CD2-CE2 3.79Å; F227-F244 AromaticContact CE2-CD2 3.41Å; F227-F244 HydrophobicContact CE2-CD2 3.41Å; F227-F244 VanDerWaalsContact CE2-CD2 3.41Å; F227-F244 AromaticContact CE2-CE2 3.74Å; F227-F244 HydrophobicContact CE2-CE2 3.74Å; F227-F244 HydrophobicContact CG-CE2 4.46Å; F227-F244 HydrophobicContact CZ-CD2 4.34Å; F227-F244 HydrophobicContact CZ-CE2 4.34Å
228I93.1Very high91.3Very high147 Ų14761.5 Ų61.575%0.75431%0.313SS*.THydrogen-bonded Turntrans-70.8131.9-172-57.9170.8000110.4E230 D241I228-E230 PolarHBondContact O-N 3.37Å; I228-D241 VanDerWaalsContact CA-OD1 3.3Å; I228-D241 WeakPolarHBondContact CA-OD1 3.04Å
229G90.4Very high91.2Very high22 Ų2264.1 Ų64.123%0.22733%0.331CS..THydrogen-bonded Turntrans69.89.1178.300000114.6P239 G240 D241G229-P239 WeakPolarHBondContact O-CB 3.46Å; G229-G240 CarbonylContact C-O 3.47Å; G229-G240 WeakPolarHBondContact CA-O 3.47Å; G229-G240 PolarHBondContact N-O 3.48Å; G229-D241 PolarHBondContact N-OD1 2.83Å
230E92.6Very high91.2Very high24 Ų2464.2 Ų64.211%0.11233%0.331CS..  trans-9712.3174.2-70.9-63.2145.300112.1R158 K160 R209 L211 F227 I228 G240 L242R158-E230 PolarHBondContact NH1-O 2.87Å; R158-E230 IonicContact NH1-OE2 2.62Å; R158-E230 PolarHBondContact NH2-O 2.95Å; K160-E230 WeakPolarHBondContact CD-OE2 3.31Å; K160-E230 WeakPolarHBondContact CE-OE2 3.33Å; K160-E230 IonicContact NZ-OE1 3.05Å; K160-E230 PolarHBondContact NZ-OE1 2.79Å; K160-E230 IonicContact NZ-OE2 2.75Å; K160-E230 PolarHBondContact NZ-OE2 2.82Å; R209-E230 IonicContact CZ-OE1 3.86Å; R209-E230 IonicContact NH1-OE1 3.89Å; R209-E230 PolarHBondContact NH1-OE1 3.21Å; L211-E230 HydrophobicContact CD2-CG 4.22Å; F227-E230 HydrophobicContact CB-CB 3.88Å; F227-E230 HydrophobicContact CB-CG 4.13Å; F227-E230 PolarHBondContact O-N 2.82Å; I228-E230 PolarHBondContact O-N 3.37Å; E230-G240 PolarHBondContact N-O 3.45Å; E230-L242 HydrophobicContact CB-CB 3.87Å; E230-L242 HydrophobicContact CB-CD2 4.33Å; E230-L242 WeakPolarHBondContact O-CB 3.31Å
231G91.7Very high91.3Very high2 Ų260 Ų602%0.02132%0.319CS..SBendtrans-79.4-149.717300000113.8R158 G240R158-G231 PolarHBondContact NH2-O 3.24Å; G231-G240 VanDerWaalsContact CA-O 3.25Å; G231-G240 WeakPolarHBondContact CA-O 3.14Å; G231-G240 PolarHBondContact N-O 3.12Å
232E91.6Very high91.3Very high77 Ų7756 Ų5636%0.3630%0.297SS..  trans-76.2139173.8-71.5-59.2147.500110.8G134 N135 I137 P239 G240G134-E232 WeakPolarHBondContact CA-O 3.49Å; N135-E232 HydrophobicContact CB-CB 4.33Å; N135-E232 HydrophobicContact CB-CG 4.41Å; N135-E232 PolarHBondContact O-N 3.27Å; I137-E232 HydrophobicContact CD1-CG 3.79Å; I137-E232 WeakPolarHBondContact CD1-OE1 3.32Å; I137-E232 HydrophobicContact CG1-CG 3.99Å; E232-P239 WeakPolarHBondContact O-CA 3.45Å; E232-G240 PolarHBondContact O-N 3.37Å
233P90.9Very high91.4Very high28 Ų2853.6 Ų53.618%0.18228%0.282CS..  trans-73.6145.9176.733.6-38.3000111.7P161 L204P161-P233 HydrophobicContact CB-CG 4.1Å; P161-P233 HydrophobicContact CG-CG 3.77Å; P161-P233 WeakPolarHBondContact O-CG 3.42Å; L204-P233 HydrophobicContact CD2-CB 4.22Å; L204-P233 HydrophobicContact CD2-CG 3.91Å
234H88.8Confident91.6Very high71 Ų7150.9 Ų50.933%0.32927%0.269SS..  trans-112.4135.9169.3-168-82000110.4P132 D236 G237P132-H234 WeakPolarHBondContact CB-CE1 3.4Å; H234-D236 PolarHBondContact ND1-N 2.67Å; H234-D236 VanDerWaalsContact ND1-N 3.16Å; H234-D236 PolarHBondContact O-N 2.9Å; H234-G237 PolarHBondContact ND1-N 3.49Å; H234-G237 PolarHBondContact O-N 3.19Å
235I84Confident91.7Very high82 Ų8251.8 Ų51.842%0.42127%0.269SS..THydrogen-bonded Turntrans-66.3-37.6-173.9-66.5170.5000112.3R170R170-I235 PolarHBondContact NH2-O 3.15Å
236D82.1Confident91.8Very high76 Ų7650 Ų5041%0.40626%0.262SS..THydrogen-bonded Turntrans-10615.5-177.5-70.6-68.1000112.7R170 H234R170-D236 IonicContact CZ-OD1 3.16Å; R170-D236 IonicContact CZ-OD2 3.85Å; R170-D236 VanDerWaalsContact NH1-CG 3.28Å; R170-D236 IonicContact NH1-OD1 2.68Å; R170-D236 PolarHBondContact NH1-OD1 2.82Å; R170-D236 IonicContact NH1-OD2 2.98Å; R170-D236 PolarHBondContact NH1-OD2 3.27Å; R170-D236 IonicContact NH2-OD1 2.75Å; R170-D236 PolarHBondContact NH2-OD1 3.46Å; R170-D236 IonicContact NH2-OD2 3.81Å; H234-D236 PolarHBondContact ND1-N 2.67Å; H234-D236 VanDerWaalsContact ND1-N 3.16Å; H234-D236 PolarHBondContact O-N 2.9Å
237G86.3Confident91.9Very high25 Ų2550.5 Ų50.526%0.25826%0.255SS..SBendtrans-153.4179-157.700000115.6P132 H234P132-G237 CarbonylContact O-C 3.51Å; P132-G237 WeakPolarHBondContact O-CA 3.46Å; H234-G237 PolarHBondContact ND1-N 3.49Å; H234-G237 PolarHBondContact O-N 3.19Å
238E89.7Confident91.9Very high82 Ų8249.6 Ų49.638%0.38325%0.254SS..BIsolated β-bridgetrans-77145.8171.3-66.7173.5161.600109.6I131 P132 R133 G134I131-E238 HydrophobicContact CG2-CG 4.17Å; P132-E238 PolarHBondContact O-N 3.47Å; P132-E238 VanDerWaalsContact O-N 3.08Å; R133-E238 CarbonylContact C-O 3.57Å; R133-E238 WeakPolarHBondContact CA-O 3.26Å; R133-E238 HydrophobicContact CG-CB 4.34Å; R133-E238 IonicContact CZ-OE2 2.91Å; R133-E238 IonicContact NE-OE2 3.24Å; R133-E238 PolarHBondContact NE-OE2 2.83Å; R133-E238 VanDerWaalsContact NE-OE2 3.07Å; R133-E238 IonicContact NH2-OE2 3.97Å; R133-E238 PolarHBondContact NH2-OE2 3.14Å; G134-E238 PolarHBondContact N-O 3.38Å
239P91.6Very high92Very high56 Ų5646.6 Ų46.636%0.36424%0.238SC..  trans-58.9152.2167.2-18.331.1000111G229 E232G229-P239 WeakPolarHBondContact O-CB 3.46Å; E232-P239 WeakPolarHBondContact O-CA 3.45Å
240G92.9Very high92.1Very high1 Ų155.6 Ų55.61%0.0127%0.27CS..  trans-69.3-173.2168.800000112G134 G229 E230 G231 E232G134-G240 WeakPolarHBondContact O-CA 3.45Å; G229-G240 CarbonylContact C-O 3.47Å; G229-G240 WeakPolarHBondContact CA-O 3.47Å; G229-G240 PolarHBondContact N-O 3.48Å; E230-G240 PolarHBondContact N-O 3.45Å; G231-G240 VanDerWaalsContact CA-O 3.25Å; G231-G240 WeakPolarHBondContact CA-O 3.14Å; G231-G240 PolarHBondContact N-O 3.12Å; E232-G240 PolarHBondContact O-N 3.37Å
241D94.6Very high92.3Very high44 Ų4456.5 Ų56.524%0.23528%0.275CS..  trans-102.5150.5177.4-65.6-24.9000111.9D136 I137 I228 G229D136-D241 CarbonylContact C-O 3.59Å; D136-D241 WeakPolarHBondContact CA-O 3.48Å; D136-D241 PolarHBondContact OD1-N 2.89Å; I137-D241 PolarHBondContact N-O 3.23Å; I228-D241 VanDerWaalsContact CA-OD1 3.3Å; I228-D241 WeakPolarHBondContact CA-OD1 3.04Å; G229-D241 PolarHBondContact N-OD1 2.83Å
242L94.9Very high92.4Very high0 Ų062.4 Ų62.40%031%0.313CS..EExtended strand (participates in β ladder)trans-103.9134.3169.5170.366.3000109.1I137 L139 L211 P226 F227 E230 F244I137-L242 HydrophobicContact CB-CD1 3.92Å; I137-L242 HydrophobicContact CG2-CD1 3.9Å; I137-L242 CarbonylContact O-C 3.55Å; I137-L242 WeakPolarHBondContact O-CA 3.37Å; L139-L242 HydrophobicContact CB-CD1 4.34Å; L139-L242 HydrophobicContact CD1-CD1 3.68Å; L139-L242 HydrophobicContact CD1-CD2 4.48Å; L139-L242 HydrophobicContact CG-CD1 3.7Å; L211-L242 HydrophobicContact CD1-CD2 3.45Å; L211-L242 VanDerWaalsContact CD1-CD2 3.45Å; P226-L242 CarbonylContact C-O 3.56Å; F227-L242 HydrophobicContact CB-CB 4.2Å; F227-L242 PolarHBondContact N-O 3.08Å; F227-L242 PolarHBondContact O-N 3.15Å; E230-L242 HydrophobicContact CB-CB 3.87Å; E230-L242 HydrophobicContact CB-CD2 4.33Å; E230-L242 WeakPolarHBondContact O-CB 3.31Å; L242-F244 HydrophobicContact CD2-CD2 4.44Å; L242-F244 HydrophobicContact CD2-CE2 3.66Å; L242-F244 HydrophobicContact CD2-CZ 3.77Å; L242-F244 HydrophobicContact CG-CE2 4.18Å; L242-F244 HydrophobicContact CG-CZ 4.47Å
243R95.8Very high92.5Very high93 Ų9362.3 Ų62.335%0.35132%0.317SS..EExtended strand (participates in β ladder)trans-121.7123.5174.4-56.4-176.1-169.8179.64.4109.6D136 I137 V138 L139 E224 Y225D136-R243 IonicContact OD2-NH2 3.69Å; I137-R243 PolarHBondContact O-N 3.19Å; V138-R243 CarbonylContact C-O 3.58Å; V138-R243 VanDerWaalsContact CA-O 3.3Å; V138-R243 WeakPolarHBondContact CA-O 3.2Å; V138-R243 HydrophobicContact CG2-CB 4.38Å; L139-R243 PolarHBondContact N-O 3.33Å; E224-R243 HydrophobicContact CB-CB 4.46Å; E224-R243 VanDerWaalsContact OE2-CD 3.25Å; E224-R243 WeakPolarHBondContact OE2-CD 3.34Å; E224-R243 IonicContact OE2-NH1 3.67Å; E224-R243 PolarHBondContact OE2-NH1 3.29Å; Y225-R243 WeakPolarHBondContact O-CA 3.48Å
244F96.3Very high92.8Very high3 Ų361.4 Ų61.41%0.01331%0.31CS..EExtended strand (participates in β ladder)trans-87.1116.6169-73.4-76.5000109.2L139 L141 V156 L211 V213 E224 Y225 F227 L242L139-F244 HydrophobicContact CB-CD1 3.88Å; L139-F244 HydrophobicContact CB-CE1 3.95Å; L139-F244 HydrophobicContact CD1-CE1 3.85Å; L139-F244 HydrophobicContact CD1-CZ 4.34Å; L139-F244 CarbonylContact O-C 3.5Å; L139-F244 VanDerWaalsContact O-CA 3.29Å; L139-F244 WeakPolarHBondContact O-CA 3.5Å; L141-F244 HydrophobicContact CB-CD1 4.36Å; V156-F244 HydrophobicContact CB-CE1 4.22Å; V156-F244 HydrophobicContact CB-CZ 4.03Å; V156-F244 HydrophobicContact CG1-CE1 3.92Å; V156-F244 HydrophobicContact CG1-CZ 3.98Å; V156-F244 HydrophobicContact CG2-CE1 4.12Å; V156-F244 HydrophobicContact CG2-CZ 4.27Å; L211-F244 HydrophobicContact CB-CE2 4.39Å; L211-F244 HydrophobicContact CD1-CE2 3.95Å; L211-F244 HydrophobicContact CD1-CZ 4.14Å; V213-F244 HydrophobicContact CG2-CD2 3.6Å; V213-F244 HydrophobicContact CG2-CE2 3.76Å; V213-F244 HydrophobicContact CG2-CG 4Å; V213-F244 HydrophobicContact CG2-CZ 4.33Å; E224-F244 CarbonylContact C-O 3.52Å; E224-F244 VanDerWaalsContact CA-O 3.26Å; E224-F244 WeakPolarHBondContact CA-O 3.45Å; Y225-F244 PolarHBondContact N-O 2.89Å; Y225-F244 PolarHBondContact O-N 3.49Å; F227-F244 AromaticContact CD2-CD2 3.54Å; F227-F244 HydrophobicContact CD2-CD2 3.54Å; F227-F244 AromaticContact CD2-CE2 3.79Å; F227-F244 HydrophobicContact CD2-CE2 3.79Å; F227-F244 AromaticContact CE2-CD2 3.41Å; F227-F244 HydrophobicContact CE2-CD2 3.41Å; F227-F244 VanDerWaalsContact CE2-CD2 3.41Å; F227-F244 AromaticContact CE2-CE2 3.74Å; F227-F244 HydrophobicContact CE2-CE2 3.74Å; F227-F244 HydrophobicContact CG-CE2 4.46Å; F227-F244 HydrophobicContact CZ-CD2 4.34Å; F227-F244 HydrophobicContact CZ-CE2 4.34Å; L242-F244 HydrophobicContact CD2-CD2 4.44Å; L242-F244 HydrophobicContact CD2-CE2 3.66Å; L242-F244 HydrophobicContact CD2-CZ 3.77Å; L242-F244 HydrophobicContact CG-CE2 4.18Å; L242-F244 HydrophobicContact CG-CZ 4.47Å
245R96.6Very high93.1Very high85 Ų8562.8 Ų62.832%0.32132%0.317SS..EExtended strand (participates in β ladder)trans-90.5115.4172.1-177.9-179.5-63.5150.70.4108.9V138 L139 D140 L141 E222 E224 K247V138-R245 HydrophobicContact CG1-CB 4.01Å; L139-R245 PolarHBondContact O-N 2.82Å; D140-R245 CarbonylContact C-O 3.54Å; D140-R245 WeakPolarHBondContact CA-O 3.38Å; D140-R245 IonicContact OD1-NH1 3.47Å; L141-R245 PolarHBondContact N-O 3.25Å; E222-R245 HydrophobicContact CB-CG 4.5Å; E224-R245 HydrophobicContact CG-CB 4.25Å; E224-R245 HydrophobicContact CG-CG 4.42Å; E224-R245 IonicContact OE1-CZ 3.84Å; E224-R245 IonicContact OE1-NE 2.69Å; E224-R245 PolarHBondContact OE1-NE 3.33Å; E224-R245 IonicContact OE1-NH2 3.23Å; E224-R245 PolarHBondContact OE1-NH2 2.72Å; R245-K247 PolarHBondContact O-N 3.12Å
246I95.6Very high93.6Very high0 Ų061.1 Ų61.10%031%0.305CS..EExtended strand (participates in β ladder)trans-71.7131.2177.7-64.1-177.2000109.5V143 V219 E222 M223 Y225 V248V143-I246 HydrophobicContact CB-CG2 4.43Å; V143-I246 HydrophobicContact CG1-CG2 4.08Å; V143-I246 HydrophobicContact CG2-CG2 3.43Å; V143-I246 VanDerWaalsContact CG2-CG2 3.43Å; V219-I246 HydrophobicContact CB-CD1 4.45Å; V219-I246 HydrophobicContact CG1-CD1 4.02Å; V219-I246 HydrophobicContact CG1-CG2 4.32Å; V219-I246 HydrophobicContact CG2-CD1 3.68Å; E222-I246 VanDerWaalsContact CA-O 3.29Å; E222-I246 WeakPolarHBondContact CA-O 3.26Å; E222-I246 PolarHBondContact N-O 3.27Å; M223-I246 PolarHBondContact O-N 2.74Å; Y225-I246 HydrophobicContact CD2-CD1 3.66Å; Y225-I246 HydrophobicContact CD2-CG1 4.11Å; Y225-I246 HydrophobicContact CE2-CD1 3.32Å; Y225-I246 HydrophobicContact CE2-CG1 4.23Å; I246-V248 HydrophobicContact CG2-CG2 4.49Å
247K95.6Very high94.2Very high95 Ų9563.7 Ų63.741%0.41331%0.309SS..EExtended strand (participates in β ladder)trans-126.4109.8177.5-167.9177.2-172.6176.90109.6L141 E142 V143 D221 R245 M249L141-K247 PolarHBondContact O-N 3.37Å; E142-K247 WeakPolarHBondContact CA-O 3.41Å; V143-K247 PolarHBondContact N-O 3.39Å; D221-K247 WeakPolarHBondContact OD1-CA 3.38Å; R245-K247 PolarHBondContact O-N 3.12Å; K247-M249 PolarHBondContact O-N 2.85Å
248V94.5Very high94.4Very high29 Ų2965 Ų6518%0.17632%0.324CS..EExtended strand (participates in β ladder)trans-77.1121.2-177.2-173.70000109.6V143 L145 V148 D221 I246V143-V248 HydrophobicContact CG2-CB 4.48Å; V143-V248 HydrophobicContact CG2-CG2 4.02Å; V143-V248 WeakPolarHBondContact O-CA 3.41Å; L145-V248 HydrophobicContact CD1-CG1 4.1Å; V148-V248 HydrophobicContact CG2-CG2 4.11Å; D221-V248 HydrophobicContact CB-CG2 4.25Å; D221-V248 PolarHBondContact OD1-N 3.22Å; I246-V248 HydrophobicContact CG2-CG2 4.49Å
249M94.7Very high94.6Very high83 Ų8363.4 Ų63.441%0.40932%0.317SS..PPolyproline II helixtrans-68.2146.7176.3-67.9-163.5-6900111.2E142 V143 T144 K247 H251E142-M249 HydrophobicContact CB-CG 4.12Å; E142-M249 HydrophobicContact CB-SD 4.3Å; V143-M249 PolarHBondContact O-N 2.81Å; T144-M249 HydrophobicContact CG2-CE 3.38Å; K247-M249 PolarHBondContact O-N 2.85Å; M249-H251 PolarHBondContact O-N 2.9Å
250K94Very high94.8Very high211 Ų21163.2 Ų63.292%0.91731%0.313SS*.PPolyproline II helixtrans-67.5122.7175.6-65.7-176.1-179.7-178.60109.7
251H95.6Very high94.9Very high44 Ų4463.1 Ų63.120%0.20431%0.313CS..PPolyproline II helixtrans-85.9142.2176.6-173-94000110.4L145 E146 M249 V253 F254L145-H251 HydrophobicContact CB-CB 4.16Å; L145-H251 HydrophobicContact CD2-CB 3.96Å; E146-H251 IonicContact OE1-NE2 2.82Å; M249-H251 PolarHBondContact O-N 2.9Å; H251-V253 VanDerWaalsContact C-N 3.34Å; H251-V253 PolarHBondContact ND1-N 2.8Å; H251-V253 VanDerWaalsContact ND1-N 3.15Å; H251-V253 PolarHBondContact O-N 2.89Å; H251-F254 WeakPolarHBondContact CB-O 3.12Å; H251-F254 AromaticContact CE1-CD2 3.48Å; H251-F254 VanDerWaalsContact CE1-CD2 3.48Å; H251-F254 WeakPolarHBondContact CE1-CD2 3.39Å; H251-F254 AromaticContact ND1-CD2 3.47Å; H251-F254 WeakPolarHBondContact ND1-CD2 3.43Å; H251-F254 AromaticContact ND1-CG 3.97Å; H251-F254 PolarHBondContact ND1-N 3.29Å; H251-F254 VanDerWaalsContact ND1-N 3.12Å
252P94.1Very high95Very high126 Ų12663.3 Ų63.382%0.81831%0.31SS*.SBendtrans-66.7-30.5-177.723.4-34.4000114.2
253V94Very high95.1Very high74 Ų7463.8 Ų63.845%0.44831%0.313SS..SBendtrans-104.5-27.9-173.8-176.70000113H251 T263H251-V253 VanDerWaalsContact C-N 3.34Å; H251-V253 PolarHBondContact ND1-N 2.8Å; H251-V253 VanDerWaalsContact ND1-N 3.15Å; H251-V253 PolarHBondContact O-N 2.89Å; V253-T263 VanDerWaalsContact O-CB 3.31Å; V253-T263 WeakPolarHBondContact O-CB 3.48Å; V253-T263 PolarHBondContact O-OG1 2.87Å
254F96.3Very high95.1Very high10 Ų1064.6 Ų64.64%0.04432%0.324CS..  trans-127.1138.5-167.5-62.8-65.9000110.1L145 H251 Y262 T263 I280 T281 L283 L321L145-F254 HydrophobicContact CD2-CB 3.87Å; H251-F254 WeakPolarHBondContact CB-O 3.12Å; H251-F254 AromaticContact CE1-CD2 3.48Å; H251-F254 VanDerWaalsContact CE1-CD2 3.48Å; H251-F254 WeakPolarHBondContact CE1-CD2 3.39Å; H251-F254 AromaticContact ND1-CD2 3.47Å; H251-F254 WeakPolarHBondContact ND1-CD2 3.43Å; H251-F254 AromaticContact ND1-CG 3.97Å; H251-F254 PolarHBondContact ND1-N 3.29Å; H251-F254 VanDerWaalsContact ND1-N 3.12Å; F254-Y262 CarbonylContact C-O 3.55Å; F254-Y262 WeakPolarHBondContact CA-O 3.42Å; F254-T263 HydrophobicContact CD1-CG2 4.42Å; F254-T263 HydrophobicContact CE1-CG2 4.2Å; F254-I280 HydrophobicContact CE1-CG2 4.25Å; F254-I280 HydrophobicContact CZ-CG2 3.89Å; F254-T281 WeakPolarHBondContact CZ-O 3.02Å; F254-L283 HydrophobicContact CD2-CD2 3.69Å; F254-L283 HydrophobicContact CD2-CG 4.19Å; F254-L283 HydrophobicContact CE2-CD2 4.2Å; F254-L283 HydrophobicContact CE2-CG 4.43Å; F254-L321 HydrophobicContact CD1-CD1 4.01Å; F254-L321 HydrophobicContact CE1-CD1 3.81Å
255E95.3Very high95Very high99 Ų9965.3 Ų65.346%0.46333%0.329SS..EExtended strand (participates in β ladder)trans-116.6119.5171.8-170.8-170.315100108.4R257 Y262E255-R257 VanDerWaalsContact CD-NH2 3.35Å; E255-R257 IonicContact OE1-CZ 2.61Å; E255-R257 VanDerWaalsContact OE1-CZ 3.24Å; E255-R257 IonicContact OE1-NE 3.28Å; E255-R257 PolarHBondContact OE1-NE 3.24Å; E255-R257 IonicContact OE1-NH2 2.81Å; E255-R257 PolarHBondContact OE1-NH2 2.93Å; E255-R257 IonicContact OE2-NH2 3.6Å; E255-R257 PolarHBondContact OE2-NH2 3.37Å; E255-Y262 PolarHBondContact N-O 2.91Å; E255-Y262 PolarHBondContact O-N 2.71Å
256R94.7Very high94.9Very high48 Ų4865.9 Ų65.918%0.18134%0.342CS..EExtended strand (participates in β ladder)trans-77.4131.5174.8174.5-180-173174.74.2110.2L145 G218 V219 G258 L261 L309L145-R256 HydrophobicContact CD1-CB 4.01Å; G218-R256 PolarHBondContact O-NH2 3.42Å; V219-R256 PolarHBondContact O-NH1 3.39Å; V219-R256 PolarHBondContact O-NH2 2.78Å; R256-G258 WeakPolarHBondContact CG-O 3.44Å; R256-G258 PolarHBondContact NE-O 3.3Å; R256-L261 HydrophobicContact CB-CD2 4.29Å; R256-L309 HydrophobicContact CB-CD1 4.03Å; R256-L309 HydrophobicContact CG-CD1 3.41Å; R256-L309 VanDerWaalsContact CG-CD1 3.41Å
257R94.3Very high94.9Very high129 Ų12966.2 Ų66.249%0.48734%0.344SS..EExtended strand (participates in β ladder)trans-135.6105.5164.4-56.3-178.2178170.34.7109.7E255 D259 D260 Y262E255-R257 VanDerWaalsContact CD-NH2 3.35Å; E255-R257 IonicContact OE1-CZ 2.61Å; E255-R257 VanDerWaalsContact OE1-CZ 3.24Å; E255-R257 IonicContact OE1-NE 3.28Å; E255-R257 PolarHBondContact OE1-NE 3.24Å; E255-R257 IonicContact OE1-NH2 2.81Å; E255-R257 PolarHBondContact OE1-NH2 2.93Å; E255-R257 IonicContact OE2-NH2 3.6Å; E255-R257 PolarHBondContact OE2-NH2 3.37Å; R257-D259 PolarHBondContact O-N 2.58Å; R257-D260 PolarHBondContact N-O 3.38Å; R257-D260 PolarHBondContact O-N 2.87Å; R257-Y262 HydrophobicContact CB-CD2 3.99Å; R257-Y262 HydrophobicContact CB-CE2 3.65Å; R257-Y262 HydrophobicContact CG-CD2 3.87Å; R257-Y262 HydrophobicContact CG-CE2 3.93Å
258G92.2Very high94.9Very high54 Ų5463.7 Ų63.756%0.55734%0.338SS*.THydrogen-bonded Turntrans65.6-125.2-169.400000110.5R256R256-G258 WeakPolarHBondContact CG-O 3.44Å; R256-G258 PolarHBondContact NE-O 3.3Å
259D92.6Very high94.9Very high48 Ų4864.8 Ų64.826%0.25734%0.343SS..THydrogen-bonded Turntrans-94-11.2177.1-58.3-21.1000112.2R257 L309 N311 G319R257-D259 PolarHBondContact O-N 2.58Å; D259-L309 PolarHBondContact O-N 2.77Å; D259-N311 PolarHBondContact OD2-ND2 3.08Å; D259-G319 WeakPolarHBondContact O-CA 2.95Å
260D95.8Very high94.8Very high51 Ų5165.7 Ų65.727%0.27335%0.353SS..EExtended strand (participates in β ladder)trans-89147.1-179.1-66.5-28.5000111.4R257 Y262 G319 S320 I322R257-D260 PolarHBondContact N-O 3.38Å; R257-D260 PolarHBondContact O-N 2.87Å; D260-Y262 HydrophobicContact CB-CE2 4Å; D260-G319 WeakPolarHBondContact OD1-CA 3.38Å; D260-S320 WeakPolarHBondContact CA-O 3.29Å; D260-S320 PolarHBondContact OD1-N 3.05Å; D260-I322 HydrophobicContact CB-CD1 4.02Å
261L96Very high94.8Very high0 Ų059.7 Ų59.70%033%0.328CS..EExtended strand (participates in β ladder)trans-107.1136.4175.4-69.6176.8000109.9L145 R256 L283 L309 S320 L321 I322L145-L261 HydrophobicContact CD2-CD2 3.95Å; R256-L261 HydrophobicContact CB-CD2 4.29Å; L261-L283 HydrophobicContact CD1-CD1 3.73Å; L261-L283 HydrophobicContact CD2-CD1 4.45Å; L261-L309 HydrophobicContact CD1-CG 4.36Å; L261-L309 HydrophobicContact CD2-CD1 3.72Å; L261-L309 HydrophobicContact CD2-CG 3.89Å; L261-L309 HydrophobicContact CG-CD1 4.35Å; L261-L309 HydrophobicContact CG-CG 4.12Å; L261-S320 PolarHBondContact N-O 3.16Å; L261-L321 HydrophobicContact CB-CD1 3.77Å; L261-L321 CarbonylContact O-C 3.49Å; L261-L321 WeakPolarHBondContact O-CA 3.4Å; L261-I322 PolarHBondContact O-N 3.12Å
262Y96.6Very high94.7Very high48 Ų4857.7 Ų57.719%0.18832%0.319CS..EExtended strand (participates in β ladder)trans-114.6137.1177.9-70-101.7000109.8F254 E255 R257 D260 I322F254-Y262 CarbonylContact C-O 3.55Å; F254-Y262 WeakPolarHBondContact CA-O 3.42Å; E255-Y262 PolarHBondContact N-O 2.91Å; E255-Y262 PolarHBondContact O-N 2.71Å; R257-Y262 HydrophobicContact CB-CD2 3.99Å; R257-Y262 HydrophobicContact CB-CE2 3.65Å; R257-Y262 HydrophobicContact CG-CD2 3.87Å; R257-Y262 HydrophobicContact CG-CE2 3.93Å; D260-Y262 HydrophobicContact CB-CE2 4Å; Y262-I322 WeakPolarHBondContact CA-O 3.49Å; Y262-I322 HydrophobicContact CD1-CB 3.89Å; Y262-I322 HydrophobicContact CD1-CD1 4.35Å; Y262-I322 HydrophobicContact CD1-CG2 3.89Å; Y262-I322 HydrophobicContact CE1-CB 3.93Å; Y262-I322 HydrophobicContact CE1-CD1 3.61Å; Y262-I322 HydrophobicContact CE1-CG1 4.37Å; Y262-I322 HydrophobicContact CE1-CG2 3.79Å; Y262-I322 HydrophobicContact CE2-CD1 3.89Å; Y262-I322 HydrophobicContact CG-CB 4.38Å; Y262-I322 WeakPolarHBondContact OH-CD1 3.49Å
263T96.4Very high94.6Very high9 Ų955 Ų556%0.05530%0.298CS..EExtended strand (participates in β ladder)trans-144.7150.9170.7-168.90000110V253 F254 I280 L321 I322 V323 S324V253-T263 VanDerWaalsContact O-CB 3.31Å; V253-T263 WeakPolarHBondContact O-CB 3.48Å; V253-T263 PolarHBondContact O-OG1 2.87Å; F254-T263 HydrophobicContact CD1-CG2 4.42Å; F254-T263 HydrophobicContact CE1-CG2 4.2Å; T263-I280 HydrophobicContact CG2-CD1 4.32Å; T263-L321 HydrophobicContact CG2-CD1 4.07Å; T263-I322 PolarHBondContact N-O 3.45Å; T263-V323 HydrophobicContact CG2-CB 4.29Å; T263-V323 HydrophobicContact CG2-CG1 4.15Å; T263-V323 HydrophobicContact CG2-CG2 3.81Å; T263-V323 WeakPolarHBondContact O-CA 3.32Å; T263-S324 PolarHBondContact O-N 2.82Å
264N95.6Very high94.6Very high110 Ų11056.9 Ų56.959%0.58831%0.309SS*.EExtended strand (participates in β ladder)trans-111.3132.4177.2-64.3-16000108.4S324N264-S324 CarbonylContact C-O 3.53Å; N264-S324 WeakPolarHBondContact CA-O 3.44Å; N264-S324 WeakPolarHBondContact OD1-CB 3.03Å
265V95.1Very high94.4Very high18 Ų1857.2 Ų57.211%0.10932%0.315CS..EExtended strand (participates in β ladder)trans-123129179.1174.20000108.8I267 M278 I280 V323 S324 F325 D326V265-I267 HydrophobicContact CG1-CG2 4.01Å; V265-M278 HydrophobicContact CB-SD 4.5Å; V265-M278 HydrophobicContact CG1-CE 3.63Å; V265-M278 HydrophobicContact CG1-SD 3.59Å; V265-M278 VanDerWaalsContact CG1-SD 3.59Å; V265-M278 HydrophobicContact CG2-CE 4.07Å; V265-M278 HydrophobicContact CG2-SD 4.39Å; V265-I280 HydrophobicContact CG2-CD1 3.91Å; V265-V323 HydrophobicContact CB-CG1 4.06Å; V265-V323 HydrophobicContact CG2-CG1 3.58Å; V265-S324 PolarHBondContact N-O 3.46Å; V265-F325 HydrophobicContact CB-CD1 4.06Å; V265-F325 HydrophobicContact CB-CE1 4.15Å; V265-F325 HydrophobicContact CG1-CD1 4.29Å; V265-F325 HydrophobicContact CG1-CE1 4.32Å; V265-F325 CarbonylContact O-C 3.33Å; V265-F325 VanDerWaalsContact O-CA 3.32Å; V265-F325 WeakPolarHBondContact O-CA 3.44Å; V265-D326 PolarHBondContact O-N 2.68Å
266T95.1Very high94.4Very high98 Ų9853.1 Ų53.160%0.60130%0.296SS*.EExtended strand (participates in β ladder)trans-88.7121.317148.70000109.8D326T266-D326 CarbonylContact C-O 3.6Å; T266-D326 WeakPolarHBondContact CA-O 3.02Å; T266-D326 HydrophobicContact CG2-CB 3.98Å
267I95.4Very high94.4Very high6 Ų657.2 Ų57.23%0.03132%0.317CS..EExtended strand (participates in β ladder)trans-114153.6173.460.9174.5000110.2V265 E271 A272 F276 T296 F325 D326 I327 E328V265-I267 HydrophobicContact CG1-CG2 4.01Å; I267-E271 HydrophobicContact CB-CB 4.41Å; I267-A272 HydrophobicContact CD1-CB 3.77Å; I267-A272 HydrophobicContact CG1-CB 4.27Å; I267-F276 HydrophobicContact CD1-CD1 3.99Å; I267-F276 HydrophobicContact CD1-CE1 3.56Å; I267-F276 HydrophobicContact CD1-CZ 4.19Å; I267-F276 HydrophobicContact CG2-CD1 4.49Å; I267-F276 HydrophobicContact CG2-CD2 4.34Å; I267-F276 HydrophobicContact CG2-CE1 4.3Å; I267-F276 HydrophobicContact CG2-CE2 4.14Å; I267-F276 HydrophobicContact CG2-CZ 4.13Å; I267-T296 HydrophobicContact CD1-CG2 3.95Å; I267-F325 HydrophobicContact CD1-CB 4.3Å; I267-F325 HydrophobicContact CD1-CD1 4.33Å; I267-F325 HydrophobicContact CD1-CG 4.48Å; I267-F325 HydrophobicContact CG2-CD1 4.01Å; I267-F325 HydrophobicContact CG2-CE1 4.49Å; I267-D326 PolarHBondContact N-O 2.8Å; I267-I327 HydrophobicContact CG1-CG1 4.43Å; I267-I327 WeakPolarHBondContact O-CA 3.26Å; I267-E328 PolarHBondContact O-N 3.48Å
268S95.8Very high94.3Very high42 Ų4253.4 Ų53.429%0.29431%0.305SS..EExtended strand (participates in β ladder)trans-70.9155.717668.70000111.7V270 E271 A272S268-V270 PolarHBondContact O-N 2.79Å; S268-E271 WeakPolarHBondContact CB-OE2 3.41Å; S268-E271 PolarHBondContact N-OE2 2.86Å; S268-E271 PolarHBondContact O-N 2.84Å; S268-E271 WeakPolarHBondContact OG-CB 2.97Å; S268-E271 WeakPolarHBondContact OG-CG 2.97Å; S268-E271 PolarHBondContact OG-N 2.8Å; S268-E271 PolarHBondContact OG-OE2 3.33Å; S268-A272 WeakPolarHBondContact O-CB 3.38Å; S268-A272 PolarHBondContact O-N 3.28Å
269L93.1Very high94.5Very high52 Ų5255.7 Ų55.727%0.27230%0.304SS..Hα-helixtrans-57.3-32.3174.2-177.764.1000113L273 I327 E328 F329L269-L273 HydrophobicContact CD1-CD1 4.43Å; L269-L273 HydrophobicContact CG-CD1 4.3Å; L269-L273 VanDerWaalsContact O-CG 3.32Å; L269-L273 WeakPolarHBondContact O-CG 3.26Å; L269-L273 PolarHBondContact O-N 2.77Å; L269-I327 HydrophobicContact CB-CG2 4.14Å; L269-I327 HydrophobicContact CD1-CG2 4Å; L269-E328 PolarHBondContact N-O 2.95Å; L269-E328 VanDerWaalsContact N-O 3.14Å; L269-F329 HydrophobicContact CD1-CE1 4.06Å; L269-F329 HydrophobicContact CD1-CZ 4.27Å; L269-F329 HydrophobicContact CD2-CD1 3.84Å; L269-F329 HydrophobicContact CD2-CE1 3.83Å
270V92.5Very high94.5Very high103 Ų10354.1 Ų54.162%0.62430%0.296SS*.Hα-helixtrans-69.8-49.5179.3179.60000110.3S268 A272 L273 V274S268-V270 PolarHBondContact O-N 2.79Å; V270-A272 VanDerWaalsContact C-N 3.28Å; V270-A272 PolarHBondContact O-N 2.9Å; V270-L273 PolarHBondContact O-N 3.5Å; V270-L273 VanDerWaalsContact O-N 3.07Å; V270-V274 HydrophobicContact CG1-CG2 4.24Å; V270-V274 PolarHBondContact O-N 2.91Å
271E94.1Very high94.5Very high85 Ų8556.2 Ų56.240%0.39731%0.311SS..Hα-helixtrans-57.7-41.2174.2-77.5162.4168.800111.7I267 S268 L273 G275 F276I267-E271 HydrophobicContact CB-CB 4.41Å; S268-E271 WeakPolarHBondContact CB-OE2 3.41Å; S268-E271 PolarHBondContact N-OE2 2.86Å; S268-E271 PolarHBondContact O-N 2.84Å; S268-E271 WeakPolarHBondContact OG-CB 2.97Å; S268-E271 WeakPolarHBondContact OG-CG 2.97Å; S268-E271 PolarHBondContact OG-N 2.8Å; S268-E271 PolarHBondContact OG-OE2 3.33Å; E271-L273 PolarHBondContact O-N 2.96Å; E271-G275 CarbonylContact O-C 3.58Å; E271-G275 VanDerWaalsContact O-C 3.31Å; E271-G275 VanDerWaalsContact O-CA 3.28Å; E271-G275 WeakPolarHBondContact O-CA 3.26Å; E271-G275 PolarHBondContact O-N 3.34Å; E271-F276 HydrophobicContact CB-CB 3.84Å; E271-F276 HydrophobicContact CB-CD1 4.4Å; E271-F276 HydrophobicContact CB-CG 4.4Å; E271-F276 HydrophobicContact CG-CB 3.95Å
272A94.3Very high94.4Very high1 Ų156.6 Ų56.61%0.00831%0.313CS..Hα-helixtrans-63.6-28.2177.200000113.3I267 S268 V270 I295 T296 I327I267-A272 HydrophobicContact CD1-CB 3.77Å; I267-A272 HydrophobicContact CG1-CB 4.27Å; S268-A272 WeakPolarHBondContact O-CB 3.38Å; S268-A272 PolarHBondContact O-N 3.28Å; V270-A272 VanDerWaalsContact C-N 3.28Å; V270-A272 PolarHBondContact O-N 2.9Å; A272-I295 CarbonylContact O-C 3.44Å; A272-I295 VanDerWaalsContact O-CA 3.27Å; A272-I295 WeakPolarHBondContact O-CA 3.25Å; A272-T296 PolarHBondContact O-N 2.75Å; A272-I327 HydrophobicContact CB-CD1 3.66Å; A272-I327 HydrophobicContact CB-CG1 4.14Å; A272-I327 HydrophobicContact CB-CG2 4.37Å
273L92.6Very high94.2Very high71 Ų7154.8 Ų54.837%0.37231%0.306SS..Hα-helixtrans-92.2-39.7-179.4-71173.7000113.4L269 V270 E271 I295 L346L269-L273 HydrophobicContact CD1-CD1 4.43Å; L269-L273 HydrophobicContact CG-CD1 4.3Å; L269-L273 VanDerWaalsContact O-CG 3.32Å; L269-L273 WeakPolarHBondContact O-CG 3.26Å; L269-L273 PolarHBondContact O-N 2.77Å; V270-L273 PolarHBondContact O-N 3.5Å; V270-L273 VanDerWaalsContact O-N 3.07Å; E271-L273 PolarHBondContact O-N 2.96Å; L273-I295 HydrophobicContact CD2-CG2 4.26Å; L273-L346 HydrophobicContact CD1-CD2 4.26Å; L273-L346 HydrophobicContact CD2-CD2 4.24Å
274V92.8Very high93.8Very high112 Ų11257.7 Ų57.768%0.67932%0.321SS*.Hα-helixtrans-89.3-32.2-175178.50000111.8V270V270-V274 HydrophobicContact CG1-CG2 4.24Å; V270-V274 PolarHBondContact O-N 2.91Å
275G92.5Very high93.5Very high17 Ų1755.3 Ų55.318%0.17532%0.322CS..  trans111.6159-16700000111.3E271 R292E271-G275 CarbonylContact O-C 3.58Å; E271-G275 VanDerWaalsContact O-C 3.31Å; E271-G275 VanDerWaalsContact O-CA 3.28Å; E271-G275 WeakPolarHBondContact O-CA 3.26Å; E271-G275 PolarHBondContact O-N 3.34Å; G275-R292 CarbonylContact C-O 3.49Å; G275-R292 WeakPolarHBondContact CA-O 3.3Å
276F94.4Very high93.4Very high14 Ų1457.3 Ų57.36%0.06133%0.33CS..EExtended strand (participates in β ladder)trans-150.4159-17866.4-85000111.5I267 E271 M278 I290 R292 F325I267-F276 HydrophobicContact CD1-CD1 3.99Å; I267-F276 HydrophobicContact CD1-CE1 3.56Å; I267-F276 HydrophobicContact CD1-CZ 4.19Å; I267-F276 HydrophobicContact CG2-CD1 4.49Å; I267-F276 HydrophobicContact CG2-CD2 4.34Å; I267-F276 HydrophobicContact CG2-CE1 4.3Å; I267-F276 HydrophobicContact CG2-CE2 4.14Å; I267-F276 HydrophobicContact CG2-CZ 4.13Å; E271-F276 HydrophobicContact CB-CB 3.84Å; E271-F276 HydrophobicContact CB-CD1 4.4Å; E271-F276 HydrophobicContact CB-CG 4.4Å; E271-F276 HydrophobicContact CG-CB 3.95Å; F276-M278 HydrophobicContact CD2-CB 4.5Å; F276-M278 HydrophobicContact CD2-CG 4.15Å; F276-M278 HydrophobicContact CD2-SD 4.35Å; F276-M278 HydrophobicContact CE2-CG 4.03Å; F276-M278 HydrophobicContact CE2-SD 3.91Å; F276-I290 HydrophobicContact CE2-CG2 4.35Å; F276-R292 HydrophobicContact CE1-CB 4.17Å; F276-R292 HydrophobicContact CZ-CB 4.35Å; F276-R292 PolarHBondContact N-O 3.29Å; F276-R292 PolarHBondContact O-N 3.22Å; F276-F325 HydrophobicContact CE1-CE1 4.49Å; F276-F325 AromaticContact CE2-CE1 3.8Å; F276-F325 HydrophobicContact CE2-CE1 3.8Å; F276-F325 HydrophobicContact CE2-CZ 4.26Å; F276-F325 AromaticContact CZ-CD1 3.87Å; F276-F325 HydrophobicContact CZ-CD1 3.87Å; F276-F325 AromaticContact CZ-CE1 3.38Å; F276-F325 HydrophobicContact CZ-CE1 3.38Å; F276-F325 HydrophobicContact CZ-CE2 4.43Å; F276-F325 AromaticContact CZ-CZ 3.7Å; F276-F325 HydrophobicContact CZ-CZ 3.7Å
277E94.6Very high93.4Very high134 Ų13456.9 Ų56.963%0.62633%0.328SS*.EExtended strand (participates in β ladder)trans-127.8134.7170.8-70.6175.2-163.600107.5I290 E291E277-I290 CarbonylContact C-O 3.31Å; E277-I290 WeakPolarHBondContact CA-O 3.29Å; E277-E291 HydrophobicContact CG-CB 3.91Å
278M93.4Very high93.4Very high48 Ų4856.8 Ų56.824%0.23633%0.328CS..EExtended strand (participates in β ladder)trans-149.8157.3177.268.2174.6-60.300111V265 F276 I280 I290V265-M278 HydrophobicContact CB-SD 4.5Å; V265-M278 HydrophobicContact CG1-CE 3.63Å; V265-M278 HydrophobicContact CG1-SD 3.59Å; V265-M278 VanDerWaalsContact CG1-SD 3.59Å; V265-M278 HydrophobicContact CG2-CE 4.07Å; V265-M278 HydrophobicContact CG2-SD 4.39Å; F276-M278 HydrophobicContact CD2-CB 4.5Å; F276-M278 HydrophobicContact CD2-CG 4.15Å; F276-M278 HydrophobicContact CD2-SD 4.35Å; F276-M278 HydrophobicContact CE2-CG 4.03Å; F276-M278 HydrophobicContact CE2-SD 3.91Å; M278-I280 HydrophobicContact CE-CD1 4.13Å; M278-I280 HydrophobicContact CE-CG1 3.76Å; M278-I290 HydrophobicContact CG-CB 3.97Å; M278-I290 HydrophobicContact CG-CG2 4.38Å; M278-I290 PolarHBondContact N-O 2.84Å; M278-I290 PolarHBondContact O-N 2.8Å
279D95Very high93.3Very high102 Ų10258.1 Ų58.155%0.54533%0.329SS..EExtended strand (participates in β ladder)trans-113.1134.6174.8-62.4-42.3000110.2H289D279-H289 WeakPolarHBondContact OD1-CA 3.38Å; D279-H289 IonicContact OD1-CE1 3.82Å; D279-H289 IonicContact OD1-CG 3.53Å; D279-H289 IonicContact OD1-ND1 2.73Å; D279-H289 PolarHBondContact OD1-ND1 2.88Å
280I94.1Very high93.3Very high15 Ų1555.8 Ų55.88%0.07732%0.317CS..EExtended strand (participates in β ladder)trans-113129172.2-59-175.2000108.4F254 T263 V265 M278 H282 V288 I290 V323F254-I280 HydrophobicContact CE1-CG2 4.25Å; F254-I280 HydrophobicContact CZ-CG2 3.89Å; T263-I280 HydrophobicContact CG2-CD1 4.32Å; V265-I280 HydrophobicContact CG2-CD1 3.91Å; M278-I280 HydrophobicContact CE-CD1 4.13Å; M278-I280 HydrophobicContact CE-CG1 3.76Å; I280-H282 PolarHBondContact O-N 3.19Å; I280-V288 PolarHBondContact N-O 2.8Å; I280-V288 PolarHBondContact O-N 2.7Å; I280-I290 HydrophobicContact CD1-CD1 3.39Å; I280-I290 HydrophobicContact CG1-CD1 3.9Å; I280-V323 HydrophobicContact CD1-CG1 4.49Å; I280-V323 HydrophobicContact CD1-CG2 4.27Å
281T94.3Very high93.4Very high95 Ų9556.8 Ų56.858%0.58332%0.315SS*.EExtended strand (participates in β ladder)trans-75.8121.2171.651.70000109.9F254 T287F254-T281 WeakPolarHBondContact CZ-O 3.02Å; T281-T287 HydrophobicContact CG2-CG2 4.31Å
282H94.3Very high93.3Very high9 Ų955.7 Ų55.74%0.04231%0.307CS..  trans-80.3172.6177.5-155.9-75.8000111.7Y149 I280 D284 G285 H286 V288 E307Y149-H282 AromaticContact CD2-CE1 3.9Å; Y149-H282 AromaticContact CE2-CE1 3.4Å; Y149-H282 VanDerWaalsContact CE2-CE1 3.4Å; Y149-H282 WeakPolarHBondContact CE2-CE1 3.38Å; Y149-H282 AromaticContact CE2-ND1 3.9Å; Y149-H282 AromaticContact CZ-CE1 3.84Å; Y149-H282 AromaticContact CZ-ND1 3.9Å; I280-H282 PolarHBondContact O-N 3.19Å; H282-D284 VanDerWaalsContact C-N 3.26Å; H282-D284 IonicContact CG-OD1 3.38Å; H282-D284 IonicContact ND1-OD1 3.08Å; H282-D284 PolarHBondContact O-N 3.43Å; H282-G285 PolarHBondContact O-N 3.42Å; H282-H286 VanDerWaalsContact CB-CE1 3.4Å; H282-H286 WeakPolarHBondContact CB-CE1 3.34Å; H282-H286 WeakPolarHBondContact CB-O 3.29Å; H282-H286 AromaticContact CD2-CE1 3.76Å; H282-H286 AromaticContact CG-CE1 3.39Å; H282-H286 AromaticContact CG-ND1 3.99Å; H282-H286 PolarHBondContact N-O 2.79Å; H282-H286 AromaticContact ND1-CE1 3.94Å; H282-V288 HydrophobicContact CB-CG2 4.25Å; H282-E307 PolarHBondContact NE2-O 2.58Å
283L92.1Very high93.2Very high10 Ų1061.8 Ų61.85%0.05234%0.339CS..THydrogen-bonded Turntrans-60.8-21.8-179.2-63.3171.3000115.8L145 E146 Y149 F254 L261 L309L145-L283 HydrophobicContact CB-CD2 4.25Å; L145-L283 HydrophobicContact CD2-CD1 4.05Å; L145-L283 HydrophobicContact CD2-CD2 4.03Å; L145-L283 HydrophobicContact CG-CD1 3.79Å; L145-L283 HydrophobicContact CG-CD2 4.07Å; E146-L283 HydrophobicContact CG-CB 4.43Å; E146-L283 HydrophobicContact CG-CD2 4Å; Y149-L283 HydrophobicContact CD1-CB 4.3Å; Y149-L283 HydrophobicContact CD2-CB 4.45Å; Y149-L283 HydrophobicContact CD2-CD1 4.08Å; Y149-L283 HydrophobicContact CG-CB 4.02Å; Y149-L283 HydrophobicContact CG-CD1 4.16Å; F254-L283 HydrophobicContact CD2-CD2 3.69Å; F254-L283 HydrophobicContact CD2-CG 4.19Å; F254-L283 HydrophobicContact CE2-CD2 4.2Å; F254-L283 HydrophobicContact CE2-CG 4.43Å; L261-L283 HydrophobicContact CD1-CD1 3.73Å; L261-L283 HydrophobicContact CD2-CD1 4.45Å; L283-L309 HydrophobicContact CD1-CD2 4.25Å
284D89.6Confident93.1Very high70 Ų7065.9 Ų65.937%0.37435%0.354SS..THydrogen-bonded Turntrans-994.7174.953.86.7000112.5Y149 H282 H286Y149-D284 HydrophobicContact CD1-CB 4.01Å; Y149-D284 HydrophobicContact CE1-CB 3.53Å; Y149-D284 VanDerWaalsContact CE1-OD2 3.25Å; Y149-D284 WeakPolarHBondContact CE1-OD2 3.41Å; Y149-D284 PolarHBondContact OH-OD2 2.89Å; H282-D284 VanDerWaalsContact C-N 3.26Å; H282-D284 IonicContact CG-OD1 3.38Å; H282-D284 IonicContact ND1-OD1 3.08Å; H282-D284 PolarHBondContact O-N 3.43Å; D284-H286 VanDerWaalsContact C-N 3.32Å; D284-H286 PolarHBondContact O-N 2.94Å; D284-H286 IonicContact OD1-CE1 3.93Å; D284-H286 IonicContact OD1-CG 3.06Å; D284-H286 PolarHBondContact OD1-N 2.88Å; D284-H286 VanDerWaalsContact OD1-N 3.08Å; D284-H286 IonicContact OD1-ND1 3.84Å; D284-H286 PolarHBondContact OD1-ND1 3.47Å; D284-H286 IonicContact OD2-CE1 3.86Å; D284-H286 IonicContact OD2-CG 3.26Å; D284-H286 IonicContact OD2-ND1 2.7Å; D284-H286 PolarHBondContact OD2-ND1 3.43Å
285G89.7Confident93.1Very high59 Ų5966 Ų6661%0.60835%0.35SS*.SBendtrans81.7-0.3-177.800000115.1H282H282-G285 PolarHBondContact O-N 3.42Å
286H92.6Very high93.1Very high60 Ų6065.3 Ų65.328%0.27834%0.342SS..  trans-73.6151.9172.687.6-99.2000110.8H282 D284 V288 E307H282-H286 VanDerWaalsContact CB-CE1 3.4Å; H282-H286 WeakPolarHBondContact CB-CE1 3.34Å; H282-H286 WeakPolarHBondContact CB-O 3.29Å; H282-H286 AromaticContact CD2-CE1 3.76Å; H282-H286 AromaticContact CG-CE1 3.39Å; H282-H286 AromaticContact CG-ND1 3.99Å; H282-H286 PolarHBondContact N-O 2.79Å; H282-H286 AromaticContact ND1-CE1 3.94Å; D284-H286 VanDerWaalsContact C-N 3.32Å; D284-H286 PolarHBondContact O-N 2.94Å; D284-H286 IonicContact OD1-CE1 3.93Å; D284-H286 IonicContact OD1-CG 3.06Å; D284-H286 PolarHBondContact OD1-N 2.88Å; D284-H286 VanDerWaalsContact OD1-N 3.08Å; D284-H286 IonicContact OD1-ND1 3.84Å; D284-H286 PolarHBondContact OD1-ND1 3.47Å; D284-H286 IonicContact OD2-CE1 3.86Å; D284-H286 IonicContact OD2-CG 3.26Å; D284-H286 IonicContact OD2-ND1 2.7Å; D284-H286 PolarHBondContact OD2-ND1 3.43Å; H286-V288 WeakPolarHBondContact NE2-CG2 3.44Å; H286-E307 IonicContact CE1-OE2 2.91Å; H286-E307 PolarHBondContact CE1-OE2 2.88Å; H286-E307 VanDerWaalsContact CE1-OE2 3.26Å; H286-E307 IonicContact NE2-OE2 3.34Å; H286-E307 PolarHBondContact NE2-OE2 2.82Å; H286-E307 VanDerWaalsContact NE2-OE2 3.08Å
287T95.1Very high93.1Very high90 Ų9072.1 Ų72.155%0.55237%0.372SS*.EExtended strand (participates in β ladder)trans-97.6122.1-179.150.60000111.2T281T281-T287 HydrophobicContact CG2-CG2 4.31Å
288V94.4Very high93Very high4 Ų470 Ų702%0.02437%0.37CS..EExtended strand (participates in β ladder)trans-91.4111.5173.8-1790000109I280 H282 H286 I290 K304 E307I280-V288 PolarHBondContact N-O 2.8Å; I280-V288 PolarHBondContact O-N 2.7Å; H282-V288 HydrophobicContact CB-CG2 4.25Å; H286-V288 WeakPolarHBondContact NE2-CG2 3.44Å; V288-I290 HydrophobicContact CG1-CG1 4.27Å; V288-K304 HydrophobicContact CG1-CD 4.24Å; V288-K304 HydrophobicContact CG1-CG 3.9Å; V288-E307 HydrophobicContact CG1-CG 4.16Å; V288-E307 HydrophobicContact CG2-CB 4.4Å; V288-E307 HydrophobicContact CG2-CG 4.01Å
289H94.5Very high92.9Very high70 Ų7070 Ų7032%0.32438%0.382SS..EExtended strand (participates in β ladder)trans-77127.8174.1-167.766.7000111.1D279 K304D279-H289 WeakPolarHBondContact OD1-CA 3.38Å; D279-H289 IonicContact OD1-CE1 3.82Å; D279-H289 IonicContact OD1-CG 3.53Å; D279-H289 IonicContact OD1-ND1 2.73Å; D279-H289 PolarHBondContact OD1-ND1 2.88Å; H289-K304 PolarHBondContact O-NZ 2.9Å
290I93.3Very high92.9Very high3 Ų366.1 Ų66.12%0.01536%0.364CS..EExtended strand (participates in β ladder)trans-122.3112.7179-61.8177.5000108.5F276 E277 M278 I280 V288 L302 V323 F325F276-I290 HydrophobicContact CE2-CG2 4.35Å; E277-I290 CarbonylContact C-O 3.31Å; E277-I290 WeakPolarHBondContact CA-O 3.29Å; M278-I290 HydrophobicContact CG-CB 3.97Å; M278-I290 HydrophobicContact CG-CG2 4.38Å; M278-I290 PolarHBondContact N-O 2.84Å; M278-I290 PolarHBondContact O-N 2.8Å; I280-I290 HydrophobicContact CD1-CD1 3.39Å; I280-I290 HydrophobicContact CG1-CD1 3.9Å; V288-I290 HydrophobicContact CG1-CG1 4.27Å; I290-L302 HydrophobicContact CG2-CD2 3.48Å; I290-L302 VanDerWaalsContact CG2-CD2 3.48Å; I290-V323 HydrophobicContact CD1-CG2 3.79Å; I290-F325 HydrophobicContact CG2-CZ 4.34Å
291E93.8Very high92.9Very high123 Ų12371.6 Ų71.658%0.57538%0.383SS*.EExtended strand (participates in β ladder)trans-117.2143.1175.865.5-178.8-17900110.3E277E277-E291 HydrophobicContact CG-CB 3.91Å
292R92.8Very high92.9Very high62 Ų6269 Ų6923%0.23437%0.366CS..EExtended strand (participates in β ladder)trans-154.4113.1173.6-171169175.2130.20.9111.7G275 F276 T296G275-R292 CarbonylContact C-O 3.49Å; G275-R292 WeakPolarHBondContact CA-O 3.3Å; F276-R292 HydrophobicContact CE1-CB 4.17Å; F276-R292 HydrophobicContact CZ-CB 4.35Å; F276-R292 PolarHBondContact N-O 3.29Å; F276-R292 PolarHBondContact O-N 3.22Å; R292-T296 WeakPolarHBondContact CD-OG1 3.2Å; R292-T296 PolarHBondContact NE-OG1 3.4Å; R292-T296 VanDerWaalsContact NE-OG1 3.07Å
293D92Very high93Very high130 Ų13075.8 Ų75.870%0.69539%0.391SS*.  trans-85.2-7.5178-54.5-31.9000114.3
294K90.9Very high93.1Very high157 Ų15778.9 Ų78.968%0.68340%0.404SS*.SBendtrans-98.8152.1-172.7-64.7179.4-175.4173.10111T296K294-T296 PolarHBondContact O-N 3.2Å; K294-T296 VanDerWaalsContact O-N 3.13Å; K294-T296 PolarHBondContact O-OG1 2.96Å
295I91.8Very high93.3Very high113 Ų11384 Ų8458%0.57942%0.423SS*.PPolyproline II helixtrans-51.9122.7172.1-59.2172.6000110A272 L273A272-I295 CarbonylContact O-C 3.44Å; A272-I295 VanDerWaalsContact O-CA 3.27Å; A272-I295 WeakPolarHBondContact O-CA 3.25Å; L273-I295 HydrophobicContact CD2-CG2 4.26Å
296T93.5Very high93.4Very high4 Ų482.5 Ų82.53%0.02541%0.408CS..PPolyproline II helixtrans-101.9125.8-179.8-58.40000108.6I267 A272 R292 K294 A300 F325 I327I267-T296 HydrophobicContact CD1-CG2 3.95Å; A272-T296 PolarHBondContact O-N 2.75Å; R292-T296 WeakPolarHBondContact CD-OG1 3.2Å; R292-T296 PolarHBondContact NE-OG1 3.4Å; R292-T296 VanDerWaalsContact NE-OG1 3.07Å; K294-T296 PolarHBondContact O-N 3.2Å; K294-T296 VanDerWaalsContact O-N 3.13Å; K294-T296 PolarHBondContact O-OG1 2.96Å; T296-A300 HydrophobicContact CG2-CB 4.02Å; T296-F325 HydrophobicContact CG2-CB 3.85Å; T296-F325 HydrophobicContact CG2-CD2 3.9Å; T296-F325 HydrophobicContact CG2-CG 3.96Å; T296-I327 WeakPolarHBondContact O-CD1 3.23Å
297K92.6Very high93.5Very high156 Ų15681.6 Ų81.668%0.67840%0.404SS*.PPolyproline II helixtrans-88.7152.2178.7-64.3-177.9-178.6178.70109.5G299 A300K297-G299 PolarHBondContact O-N 3.07Å; K297-A300 HydrophobicContact CB-CB 4.44Å; K297-A300 WeakPolarHBondContact O-CB 3.35Å; K297-A300 PolarHBondContact O-N 2.84Å
298P93.5Very high93.4Very high91 Ų9177.3 Ų77.359%0.59138%0.378SS*.THydrogen-bonded Turntrans-55.5135169-16.425.8000110.4A300 I327P298-A300 PolarHBondContact O-N 2.74Å; P298-I327 HydrophobicContact CB-CD1 4.38Å; P298-I327 HydrophobicContact CB-CG1 4.38Å; P298-I327 VanDerWaalsContact CD-CD1 3.49Å; P298-I327 HydrophobicContact CG-CD1 3.67Å; P298-I327 HydrophobicContact CG-CG1 4.12Å
299G91.6Very high93.4Very high47 Ų4777.1 Ų77.149%0.48538%0.377SS..THydrogen-bonded Turntrans71.77-176.700000114.6K297 F325K297-G299 PolarHBondContact O-N 3.07Å; G299-F325 PolarHBondContact N-O 2.77Å
300A93.6Very high93.4Very high20 Ų2073.9 Ų73.917%0.16536%0.362CS..EExtended strand (participates in β ladder)trans-62.5142.8170.300000109.7T296 K297 P298 S324 F325T296-A300 HydrophobicContact CG2-CB 4.02Å; K297-A300 HydrophobicContact CB-CB 4.44Å; K297-A300 WeakPolarHBondContact O-CB 3.35Å; K297-A300 PolarHBondContact O-N 2.84Å; P298-A300 PolarHBondContact O-N 2.74Å; A300-S324 WeakPolarHBondContact O-CA 3.4Å; A300-F325 WeakPolarHBondContact O-CD2 3.41Å; A300-F325 PolarHBondContact O-N 2.96Å
301R94.9Very high93.5Very high130 Ų13075.2 Ų75.249%0.49137%0.369SS..EExtended strand (participates in β ladder)trans-113143.7178-63.4-176.9-178.8164.22.9110.7W303 I322 V323R301-W303 HydrophobicContact CB-CH2 3.72Å; R301-W303 HydrophobicContact CB-CZ2 4.06Å; R301-W303 HydrophobicContact CB-CZ3 4.01Å; R301-W303 WeakPolarHBondContact O-CZ3 3.46Å; R301-I322 HydrophobicContact CB-CG2 4.34Å; R301-I322 HydrophobicContact CG-CG2 4.49Å; R301-V323 CarbonylContact C-O 3.53Å; R301-V323 VanDerWaalsContact CA-O 3.29Å; R301-V323 WeakPolarHBondContact CA-O 3.3Å
302L94.4Very high93.3Very high41 Ų4171.2 Ų71.222%0.21535%0.35CS..EExtended strand (participates in β ladder)trans-121.6134.7171.6179.172.4000109I290 I322 V323 F325I290-L302 HydrophobicContact CG2-CD2 3.48Å; I290-L302 VanDerWaalsContact CG2-CD2 3.48Å; L302-I322 WeakPolarHBondContact O-CA 3.38Å; L302-V323 PolarHBondContact N-O 2.8Å; L302-V323 PolarHBondContact O-N 2.85Å; L302-F325 HydrophobicContact CB-CE2 3.7Å; L302-F325 HydrophobicContact CB-CZ 4.28Å; L302-F325 HydrophobicContact CD2-CE2 4.47Å; L302-F325 HydrophobicContact CD2-CZ 4.32Å
303W95.2Very high93.2Very high151 Ų15174 Ų7457%0.57237%0.37SS*.EExtended strand (participates in β ladder)trans-105.7118.1177.7-65.3-101.6000109.2R301 I322R301-W303 HydrophobicContact CB-CH2 3.72Å; R301-W303 HydrophobicContact CB-CZ2 4.06Å; R301-W303 HydrophobicContact CB-CZ3 4.01Å; R301-W303 WeakPolarHBondContact O-CZ3 3.46Å; W303-I322 HydrophobicContact CG-CG1 4.47Å
304K95Very high93.1Very high76 Ų7671 Ų7133%0.3335%0.354SS..EExtended strand (participates in β ladder)trans-101.999.4167.5-164.580.8175.3-157.50107.9V288 H289 E307 S320 L321V288-K304 HydrophobicContact CG1-CD 4.24Å; V288-K304 HydrophobicContact CG1-CG 3.9Å; H289-K304 PolarHBondContact O-NZ 2.9Å; K304-E307 HydrophobicContact CB-CB 4.44Å; K304-E307 HydrophobicContact CB-CG 4.19Å; K304-E307 HydrophobicContact CG-CB 4.21Å; K304-E307 HydrophobicContact CG-CG 3.46Å; K304-E307 VanDerWaalsContact CG-CG 3.46Å; K304-S320 WeakPolarHBondContact O-CA 3.35Å; K304-L321 HydrophobicContact CB-CB 4.25Å; K304-L321 PolarHBondContact N-O 2.85Å; K304-L321 PolarHBondContact O-N 3.01Å
305K94.6Very high92.9Very high176 Ų17667.2 Ų67.277%0.76534%0.34SS*.EExtended strand (participates in β ladder)trans-67.8137-177.8-62.6-175179.7-175.80110.1E307K305-E307 VanDerWaalsContact C-N 3.32Å
306G92.1Very high92.8Very high29 Ų2969 Ų6930%0.29935%0.351SS..EExtended strand (participates in β ladder)trans90.9-10.5177.800000114.6R318 G319G306-R318 VanDerWaalsContact O-CD 3.22Å; G306-R318 WeakPolarHBondContact O-CD 3.18Å; G306-G319 CarbonylContact C-O 3.57Å; G306-G319 WeakPolarHBondContact CA-O 3.44Å; G306-G319 PolarHBondContact N-O 3.04Å
307E94Very high92.7Very high41 Ų4173.5 Ų73.519%0.19237%0.374CS..EExtended strand (participates in β ladder)trans-99.125.9176.8-51.8-57.8170.800112.1H282 H286 V288 K304 K305 L321H282-E307 PolarHBondContact NE2-O 2.58Å; H286-E307 IonicContact CE1-OE2 2.91Å; H286-E307 PolarHBondContact CE1-OE2 2.88Å; H286-E307 VanDerWaalsContact CE1-OE2 3.26Å; H286-E307 IonicContact NE2-OE2 3.34Å; H286-E307 PolarHBondContact NE2-OE2 2.82Å; H286-E307 VanDerWaalsContact NE2-OE2 3.08Å; V288-E307 HydrophobicContact CG1-CG 4.16Å; V288-E307 HydrophobicContact CG2-CB 4.4Å; V288-E307 HydrophobicContact CG2-CG 4.01Å; K304-E307 HydrophobicContact CB-CB 4.44Å; K304-E307 HydrophobicContact CB-CG 4.19Å; K304-E307 HydrophobicContact CG-CB 4.21Å; K304-E307 HydrophobicContact CG-CG 3.46Å; K304-E307 VanDerWaalsContact CG-CG 3.46Å; K305-E307 VanDerWaalsContact C-N 3.32Å; E307-L321 HydrophobicContact CB-CB 3.83Å; E307-L321 WeakPolarHBondContact O-CB 3.32Å
308G93.7Very high92.8Very high0 Ų071.5 Ų71.50%036%0.362CS..EExtended strand (participates in β ladder)trans-95.2-166.717000000111.9Y149 G319Y149-G308 WeakPolarHBondContact CE2-O 3.25Å; G308-G319 VanDerWaalsContact CA-C 3.43Å; G308-G319 PolarHBondContact N-O 2.01Å
309L94.6Very high92.8Very high0 Ų067.6 Ų67.60%034%0.338CS..EExtended strand (participates in β ladder)trans-73.1150.3171.7-72.4154.5000110.8L145 V148 Y149 R256 D259 L261 L283 R318 G319L145-L309 HydrophobicContact CD1-CD1 4.16Å; L145-L309 HydrophobicContact CD1-CD2 4.26Å; V148-L309 HydrophobicContact CG1-CD2 4.38Å; Y149-L309 HydrophobicContact CD2-CD2 4.05Å; R256-L309 HydrophobicContact CB-CD1 4.03Å; R256-L309 HydrophobicContact CG-CD1 3.41Å; R256-L309 VanDerWaalsContact CG-CD1 3.41Å; D259-L309 PolarHBondContact O-N 2.77Å; L261-L309 HydrophobicContact CD1-CG 4.36Å; L261-L309 HydrophobicContact CD2-CD1 3.72Å; L261-L309 HydrophobicContact CD2-CG 3.89Å; L261-L309 HydrophobicContact CG-CD1 4.35Å; L261-L309 HydrophobicContact CG-CG 4.12Å; L283-L309 HydrophobicContact CD1-CD2 4.25Å; L309-R318 WeakPolarHBondContact O-CA 3.33Å; L309-G319 PolarHBondContact O-N 2.62Å
310P94.4Very high93.1Very high2 Ų266.5 Ų66.51%0.01332%0.323CS..EExtended strand (participates in β ladder)trans-63.8142.7167.627.5-32.2000110.1Q217 G218Q217-P310 HydrophobicContact CB-CB 4.49Å; Q217-P310 HydrophobicContact CB-CG 3.85Å; G218-P310 VanDerWaalsContact CA-O 3.23Å; G218-P310 WeakPolarHBondContact CA-O 3.41Å
311N93.8Very high93.2Very high31 Ų3165.5 Ų65.517%0.16632%0.315CS..PPolyproline II helixtrans-73.7134.8173.6-176.5-76.5000109.8D259 D313 N314 N315 I317D259-N311 PolarHBondContact OD2-ND2 3.08Å; N311-D313 PolarHBondContact O-N 3.28Å; N311-D313 PolarHBondContact OD1-N 3.43Å; N311-N314 CarbonylContact O-C 3.56Å; N311-N314 PolarHBondContact O-N 3.43Å; N311-N314 PolarHBondContact OD1-N 3.32Å; N311-N315 PolarHBondContact O-N 2.84Å; N311-N315 PolarHBondContact O-OD1 3.23Å; N311-I317 HydrophobicContact CB-CB 4.39Å; N311-I317 PolarHBondContact N-O 3.45Å
312F90.6Very high93.3Very high39 Ų3959.5 Ų59.517%0.17129%0.293CS..SBendtrans-58.9-40.1-178.5-178.1-101.7000113.9E216 V219 M223E216-F312 HydrophobicContact CB-CE2 3.96Å; E216-F312 WeakPolarHBondContact OE2-CE2 3.34Å; E216-F312 WeakPolarHBondContact OE2-CZ 3.19Å; V219-F312 HydrophobicContact CB-CD2 4.34Å; V219-F312 HydrophobicContact CB-CE2 4.37Å; V219-F312 HydrophobicContact CG2-CE2 4.24Å; M223-F312 HydrophobicContact CE-CE1 3.94Å; M223-F312 HydrophobicContact CE-CE2 4.18Å; M223-F312 HydrophobicContact CE-CZ 3.46Å; M223-F312 VanDerWaalsContact CE-CZ 3.46Å; M223-F312 HydrophobicContact SD-CE1 4.35Å; M223-F312 HydrophobicContact SD-CE2 4.09Å; M223-F312 HydrophobicContact SD-CZ 3.89Å
313D89.8Confident93.4Very high121 Ų12157.6 Ų57.665%0.64728%0.283SS*.SBendtrans-80.8-27.7-177.1-60.2-57.8000111.9R220 N311R220-D313 IonicContact NH2-OD2 3.62Å; R220-D313 PolarHBondContact NH2-OD2 2.83Å; N311-D313 PolarHBondContact O-N 3.28Å; N311-D313 PolarHBondContact OD1-N 3.43Å
314N90.2Very high93.4Very high67 Ų6751 Ų5136%0.35826%0.26SS..  trans-146.296.1-179.2-174.10.6000111.9N311 N316 I317N311-N314 CarbonylContact O-C 3.56Å; N311-N314 PolarHBondContact O-N 3.43Å; N311-N314 PolarHBondContact OD1-N 3.32Å; N314-N316 PolarHBondContact O-N 2.86Å; N314-N316 WeakPolarHBondContact OD1-CB 3.39Å; N314-N316 PolarHBondContact OD1-N 3.48Å; N314-N316 PolarHBondContact OD1-ND2 2.81Å; N314-I317 HydrophobicContact CB-CD1 4.37Å; N314-I317 PolarHBondContact O-N 2.93Å
315N86.2Confident93.4Very high76 Ų7647.4 Ų47.441%0.40624%0.244SC..THydrogen-bonded Turntrans-62.6-13.5-176.2-54.922.3000114.2N311 I317N311-N315 PolarHBondContact O-N 2.84Å; N311-N315 PolarHBondContact O-OD1 3.23Å; N315-I317 VanDerWaalsContact C-N 3.27Å
316N89.9Confident93.5Very high151 Ų15142.5 Ų42.581%0.80723%0.226SC*.THydrogen-bonded Turntrans-75.1-19.2174.5-63.1-55000112.7N314N314-N316 PolarHBondContact O-N 2.86Å; N314-N316 WeakPolarHBondContact OD1-CB 3.39Å; N314-N316 PolarHBondContact OD1-N 3.48Å; N314-N316 PolarHBondContact OD1-ND2 2.81Å
317I92.9Very high93.6Very high98 Ų9842.5 Ų42.550%0.50322%0.219SC..  trans-98.3129.4178.1-57.5174.9000107.5N311 N314 N315N311-I317 HydrophobicContact CB-CB 4.39Å; N311-I317 PolarHBondContact N-O 3.45Å; N314-I317 HydrophobicContact CB-CD1 4.37Å; N314-I317 PolarHBondContact O-N 2.93Å; N315-I317 VanDerWaalsContact C-N 3.27Å
318R94.3Very high93.7Very high115 Ų11545.8 Ų45.843%0.43424%0.235SC..EExtended strand (participates in β ladder)trans-117.4148.6173.8-64-177.8177.2-165.8-6.9109.7Y149 G306 L309Y149-R318 PolarHBondContact OH-NH1 2.75Å; G306-R318 VanDerWaalsContact O-CD 3.22Å; G306-R318 WeakPolarHBondContact O-CD 3.18Å; L309-R318 WeakPolarHBondContact O-CA 3.33Å
319G94Very high93.6Very high8 Ų852.1 Ų52.18%0.08226%0.262CS..EExtended strand (participates in β ladder)trans-67.8-163.817000000112.5D259 D260 G306 G308 L309D259-G319 WeakPolarHBondContact O-CA 2.95Å; D260-G319 WeakPolarHBondContact OD1-CA 3.38Å; G306-G319 CarbonylContact C-O 3.57Å; G306-G319 WeakPolarHBondContact CA-O 3.44Å; G306-G319 PolarHBondContact N-O 3.04Å; G308-G319 VanDerWaalsContact CA-C 3.43Å; G308-G319 PolarHBondContact N-O 2.01Å; L309-G319 PolarHBondContact O-N 2.62Å
320S96Very high93.5Very high24 Ų2455.6 Ų55.617%0.16829%0.285CS..EExtended strand (participates in β ladder)trans-117.1146.9177-54.90000111.5D260 L261 K304D260-S320 WeakPolarHBondContact CA-O 3.29Å; D260-S320 PolarHBondContact OD1-N 3.05Å; L261-S320 PolarHBondContact N-O 3.16Å; K304-S320 WeakPolarHBondContact O-CA 3.35Å
321L96.6Very high93.3Very high0 Ų064.1 Ų64.10%033%0.325CS..EExtended strand (participates in β ladder)trans-83.3123.7163.3-178.463.3000109F254 L261 T263 K304 E307 V323F254-L321 HydrophobicContact CD1-CD1 4.01Å; F254-L321 HydrophobicContact CE1-CD1 3.81Å; L261-L321 HydrophobicContact CB-CD1 3.77Å; L261-L321 CarbonylContact O-C 3.49Å; L261-L321 WeakPolarHBondContact O-CA 3.4Å; T263-L321 HydrophobicContact CG2-CD1 4.07Å; K304-L321 HydrophobicContact CB-CB 4.25Å; K304-L321 PolarHBondContact N-O 2.85Å; K304-L321 PolarHBondContact O-N 3.01Å; E307-L321 HydrophobicContact CB-CB 3.83Å; E307-L321 WeakPolarHBondContact O-CB 3.32Å; L321-V323 HydrophobicContact CD2-CG2 4.08Å; L321-V323 HydrophobicContact CG-CG2 3.91Å
322I96.8Very high93.1Very high4 Ų467.8 Ų67.82%0.02135%0.348CS..EExtended strand (participates in β ladder)trans-110.5105.7-179.8-59.4168000107.7D260 L261 Y262 T263 R301 L302 W303D260-I322 HydrophobicContact CB-CD1 4.02Å; L261-I322 PolarHBondContact O-N 3.12Å; Y262-I322 WeakPolarHBondContact CA-O 3.49Å; Y262-I322 HydrophobicContact CD1-CB 3.89Å; Y262-I322 HydrophobicContact CD1-CD1 4.35Å; Y262-I322 HydrophobicContact CD1-CG2 3.89Å; Y262-I322 HydrophobicContact CE1-CB 3.93Å; Y262-I322 HydrophobicContact CE1-CD1 3.61Å; Y262-I322 HydrophobicContact CE1-CG1 4.37Å; Y262-I322 HydrophobicContact CE1-CG2 3.79Å; Y262-I322 HydrophobicContact CE2-CD1 3.89Å; Y262-I322 HydrophobicContact CG-CB 4.38Å; Y262-I322 WeakPolarHBondContact OH-CD1 3.49Å; T263-I322 PolarHBondContact N-O 3.45Å; R301-I322 HydrophobicContact CB-CG2 4.34Å; R301-I322 HydrophobicContact CG-CG2 4.49Å; L302-I322 WeakPolarHBondContact O-CA 3.38Å; W303-I322 HydrophobicContact CG-CG1 4.47Å
323V96.3Very high93Very high1 Ų174.8 Ų74.81%0.00638%0.381CS..EExtended strand (participates in β ladder)trans-97.6120179.6-172.70000108.7T263 V265 I280 I290 R301 L302 L321 F325T263-V323 HydrophobicContact CG2-CB 4.29Å; T263-V323 HydrophobicContact CG2-CG1 4.15Å; T263-V323 HydrophobicContact CG2-CG2 3.81Å; T263-V323 WeakPolarHBondContact O-CA 3.32Å; V265-V323 HydrophobicContact CB-CG1 4.06Å; V265-V323 HydrophobicContact CG2-CG1 3.58Å; I280-V323 HydrophobicContact CD1-CG1 4.49Å; I280-V323 HydrophobicContact CD1-CG2 4.27Å; I290-V323 HydrophobicContact CD1-CG2 3.79Å; R301-V323 CarbonylContact C-O 3.53Å; R301-V323 VanDerWaalsContact CA-O 3.29Å; R301-V323 WeakPolarHBondContact CA-O 3.3Å; L302-V323 PolarHBondContact N-O 2.8Å; L302-V323 PolarHBondContact O-N 2.85Å; L321-V323 HydrophobicContact CD2-CG2 4.08Å; L321-V323 HydrophobicContact CG-CG2 3.91Å; V323-F325 HydrophobicContact CB-CE2 4.42Å; V323-F325 HydrophobicContact CB-CZ 4.12Å; V323-F325 HydrophobicContact CG1-CD1 4.36Å; V323-F325 HydrophobicContact CG1-CE1 3.7Å; V323-F325 HydrophobicContact CG1-CE2 4.2Å; V323-F325 HydrophobicContact CG1-CZ 3.61Å
324S95.8Very high93Very high12 Ų1272.3 Ų72.38%0.08437%0.368CS..EExtended strand (participates in β ladder)trans-98.1136.6171.7-530000109.7T263 N264 V265 A300T263-S324 PolarHBondContact O-N 2.82Å; N264-S324 CarbonylContact C-O 3.53Å; N264-S324 WeakPolarHBondContact CA-O 3.44Å; N264-S324 WeakPolarHBondContact OD1-CB 3.03Å; V265-S324 PolarHBondContact N-O 3.46Å; A300-S324 WeakPolarHBondContact O-CA 3.4Å
325F95.6Very high93.1Very high0 Ų074.2 Ų74.20%038%0.378CS..EExtended strand (participates in β ladder)trans-104.6123.1-177.9-61.5-76.6000112.1V265 I267 F276 I290 T296 G299 A300 L302 V323V265-F325 HydrophobicContact CB-CD1 4.06Å; V265-F325 HydrophobicContact CB-CE1 4.15Å; V265-F325 HydrophobicContact CG1-CD1 4.29Å; V265-F325 HydrophobicContact CG1-CE1 4.32Å; V265-F325 CarbonylContact O-C 3.33Å; V265-F325 VanDerWaalsContact O-CA 3.32Å; V265-F325 WeakPolarHBondContact O-CA 3.44Å; I267-F325 HydrophobicContact CD1-CB 4.3Å; I267-F325 HydrophobicContact CD1-CD1 4.33Å; I267-F325 HydrophobicContact CD1-CG 4.48Å; I267-F325 HydrophobicContact CG2-CD1 4.01Å; I267-F325 HydrophobicContact CG2-CE1 4.49Å; F276-F325 HydrophobicContact CE1-CE1 4.49Å; F276-F325 AromaticContact CE2-CE1 3.8Å; F276-F325 HydrophobicContact CE2-CE1 3.8Å; F276-F325 HydrophobicContact CE2-CZ 4.26Å; F276-F325 AromaticContact CZ-CD1 3.87Å; F276-F325 HydrophobicContact CZ-CD1 3.87Å; F276-F325 AromaticContact CZ-CE1 3.38Å; F276-F325 HydrophobicContact CZ-CE1 3.38Å; F276-F325 HydrophobicContact CZ-CE2 4.43Å; F276-F325 AromaticContact CZ-CZ 3.7Å; F276-F325 HydrophobicContact CZ-CZ 3.7Å; I290-F325 HydrophobicContact CG2-CZ 4.34Å; T296-F325 HydrophobicContact CG2-CB 3.85Å; T296-F325 HydrophobicContact CG2-CD2 3.9Å; T296-F325 HydrophobicContact CG2-CG 3.96Å; G299-F325 PolarHBondContact N-O 2.77Å; A300-F325 WeakPolarHBondContact O-CD2 3.41Å; A300-F325 PolarHBondContact O-N 2.96Å; L302-F325 HydrophobicContact CB-CE2 3.7Å; L302-F325 HydrophobicContact CB-CZ 4.28Å; L302-F325 HydrophobicContact CD2-CE2 4.47Å; L302-F325 HydrophobicContact CD2-CZ 4.32Å; V323-F325 HydrophobicContact CB-CE2 4.42Å; V323-F325 HydrophobicContact CB-CZ 4.12Å; V323-F325 HydrophobicContact CG1-CD1 4.36Å; V323-F325 HydrophobicContact CG1-CE1 3.7Å; V323-F325 HydrophobicContact CG1-CE2 4.2Å; V323-F325 HydrophobicContact CG1-CZ 3.61Å
326D95.8Very high93.3Very high73 Ų7376.1 Ų76.139%0.3939%0.388SS..EExtended strand (participates in β ladder)trans-99.2143.3167.2-68.1-39.2000109V265 T266 I267V265-D326 PolarHBondContact O-N 2.68Å; T266-D326 CarbonylContact C-O 3.6Å; T266-D326 WeakPolarHBondContact CA-O 3.02Å; T266-D326 HydrophobicContact CG2-CB 3.98Å; I267-D326 PolarHBondContact N-O 2.8Å
327I95.4Very high93.4Very high30 Ų3075.5 Ų75.515%0.15439%0.385CS..EExtended strand (participates in β ladder)trans-107.3120.4-177.7-57-175.4000109.4I267 L269 A272 T296 P298 F329I267-I327 HydrophobicContact CG1-CG1 4.43Å; I267-I327 WeakPolarHBondContact O-CA 3.26Å; L269-I327 HydrophobicContact CB-CG2 4.14Å; L269-I327 HydrophobicContact CD1-CG2 4Å; A272-I327 HydrophobicContact CB-CD1 3.66Å; A272-I327 HydrophobicContact CB-CG1 4.14Å; A272-I327 HydrophobicContact CB-CG2 4.37Å; T296-I327 WeakPolarHBondContact O-CD1 3.23Å; P298-I327 HydrophobicContact CB-CD1 4.38Å; P298-I327 HydrophobicContact CB-CG1 4.38Å; P298-I327 VanDerWaalsContact CD-CD1 3.49Å; P298-I327 HydrophobicContact CG-CD1 3.67Å; P298-I327 HydrophobicContact CG-CG1 4.12Å; I327-F329 HydrophobicContact CG2-CE2 4.31Å
328E95Very high93.1Very high110 Ų11075.4 Ų75.451%0.51438%0.382SS..EExtended strand (participates in β ladder)trans-87.1124171.7-169.4172.1-171.100110.4I267 L269I267-E328 PolarHBondContact O-N 3.48Å; L269-E328 PolarHBondContact N-O 2.95Å; L269-E328 VanDerWaalsContact N-O 3.14Å
329F92.1Very high92.8Very high132 Ų13273.9 Ų73.958%0.57938%0.379SS*.PPolyproline II helixtrans-86.8146.5174.7-77.8-97.4000110.5L269 I327 Q331L269-F329 HydrophobicContact CD1-CE1 4.06Å; L269-F329 HydrophobicContact CD1-CZ 4.27Å; L269-F329 HydrophobicContact CD2-CD1 3.84Å; L269-F329 HydrophobicContact CD2-CE1 3.83Å; I327-F329 HydrophobicContact CG2-CE2 4.31Å; F329-Q331 PolarHBondContact O-N 3.2Å
330P91.6Very high92.5Very high73 Ų7379.7 Ų79.747%0.47440%0.404SS..PPolyproline II helixtrans-60.3134.9176.426-33.9000110.7T332P330-T332 VanDerWaalsContact C-N 3.3Å
331Q90.2Very high92.2Very high182 Ų18280.3 Ų80.385%0.8541%0.414SS*.SBendtrans-73.6-24.3179.1-61.7-178.98.300112.4F329F329-Q331 PolarHBondContact O-N 3.2Å
332T91.4Very high91.7Very high107 Ų10783.2 Ų83.266%0.65643%0.432SS*.SBendtrans-79.1138179.451.20000111.4P330P330-T332 VanDerWaalsContact C-N 3.3Å
333Q88.1Confident91.2Very high186 Ų18691.7 Ų91.787%0.86946%0.463SS*.PPolyproline II helixtrans-69.7141.4169.8-63.6-171.52.800110.2
334L88.2Confident90.8Very high69 Ų6993.8 Ų93.836%0.36149%0.485SS..PPolyproline II helixtrans-80.6144176.3-63.8172.6000110.5Q338 K339 V342L334-Q338 HydrophobicContact CB-CB 4.14Å; L334-Q338 HydrophobicContact CD2-CB 4.31Å; L334-K339 HydrophobicContact CB-CG 4.05Å; L334-K339 WeakPolarHBondContact O-CE 3.5Å; L334-K339 PolarHBondContact O-NZ 3.08Å; L334-V342 HydrophobicContact CD1-CG2 4.29Å
335D92.7Very high90.5Very high108 Ų10899.8 Ų99.858%0.57852%0.515SS*.PPolyproline II helixtrans-71.2160.7171-68.3-32000111.1N337 Q338 K339D335-N337 VanDerWaalsContact C-N 3.29Å; D335-N337 PolarHBondContact O-N 2.88Å; D335-Q338 HydrophobicContact CB-CG 4.29Å; D335-Q338 WeakPolarHBondContact O-CA 3.32Å; D335-Q338 WeakPolarHBondContact O-CB 3.27Å; D335-Q338 PolarHBondContact O-N 2.85Å; D335-K339 WeakPolarHBondContact O-CG 3.4Å; D335-K339 PolarHBondContact O-N 2.75Å
336D90.4Very high90.1Very high116 Ų116103.2 Ų103.262%0.6253%0.533SS*.Hα-helixtrans-61.6-37-176.4-66.9-28.6000112.9Q338 K339 E340D336-Q338 VanDerWaalsContact C-N 3.33Å; D336-Q338 PolarHBondContact O-N 3.44Å; D336-K339 PolarHBondContact O-N 2.82Å; D336-K339 IonicContact OD1-NZ 3.59Å; D336-K339 PolarHBondContact OD1-NZ 3.43Å; D336-E340 PolarHBondContact O-N 2.82Å; D336-E340 VanDerWaalsContact O-N 3.11Å
337N91.9Very high89.5Confident138 Ų138108.4 Ų108.474%0.73855%0.552SS**Hα-helixtrans-62.2-39.5172.8-66.2-23.6000112.1D335 G341D335-N337 VanDerWaalsContact C-N 3.29Å; D335-N337 PolarHBondContact O-N 2.88Å; N337-G341 PolarHBondContact O-N 2.91Å
338Q88.4Confident88.9Confident96 Ų96114.7 Ų114.745%0.44958%0.581SS.*Hα-helixtrans-71.1-38178.8-65.2173.7-28.100111.2L334 D335 D336 E340 G341 V342L334-Q338 HydrophobicContact CB-CB 4.14Å; L334-Q338 HydrophobicContact CD2-CB 4.31Å; D335-Q338 HydrophobicContact CB-CG 4.29Å; D335-Q338 WeakPolarHBondContact O-CA 3.32Å; D335-Q338 WeakPolarHBondContact O-CB 3.27Å; D335-Q338 PolarHBondContact O-N 2.85Å; D336-Q338 VanDerWaalsContact C-N 3.33Å; D336-Q338 PolarHBondContact O-N 3.44Å; Q338-E340 VanDerWaalsContact C-N 3.34Å; Q338-E340 PolarHBondContact O-N 3.36Å; Q338-G341 PolarHBondContact O-N 2.84Å; Q338-V342 WeakPolarHBondContact O-CG2 3.05Å; Q338-V342 PolarHBondContact O-N 2.85Å
339K87.1Confident88.1Confident82 Ų82114 Ų11436%0.35759%0.589SS.*Hα-helixtrans-60.3-42.6174.8-68.7173.7-167.1146.90111.7L334 D335 D336 V342 R343L334-K339 HydrophobicContact CB-CG 4.05Å; L334-K339 WeakPolarHBondContact O-CE 3.5Å; L334-K339 PolarHBondContact O-NZ 3.08Å; D335-K339 WeakPolarHBondContact O-CG 3.4Å; D335-K339 PolarHBondContact O-N 2.75Å; D336-K339 PolarHBondContact O-N 2.82Å; D336-K339 IonicContact OD1-NZ 3.59Å; D336-K339 PolarHBondContact OD1-NZ 3.43Å; K339-V342 PolarHBondContact O-N 3.45Å; K339-R343 WeakPolarHBondContact O-CG 3.06Å; K339-R343 PolarHBondContact O-N 3.45Å; K339-R343 VanDerWaalsContact O-N 3.09Å
340E87.2Confident87.6Confident130 Ų130112.9 Ų112.961%0.60760%0.597SS**Hα-helixtrans-63.6-41.6175.5-73-170.917100111.9D336 Q338 V342 R343 G344D336-E340 PolarHBondContact O-N 2.82Å; D336-E340 VanDerWaalsContact O-N 3.11Å; Q338-E340 VanDerWaalsContact C-N 3.34Å; Q338-E340 PolarHBondContact O-N 3.36Å; E340-V342 PolarHBondContact O-N 3.25Å; E340-R343 PolarHBondContact O-N 2.92Å; E340-G344 PolarHBondContact O-N 2.89Å
341G89.3Confident87Confident37 Ų37114.6 Ų114.638%0.38161%0.606SS.*Hα-helixtrans-56.8-48.4173.900000112.9N337 Q338 R343 G344 I345N337-G341 PolarHBondContact O-N 2.91Å; Q338-G341 PolarHBondContact O-N 2.84Å; G341-R343 PolarHBondContact O-N 2.04Å; G341-G344 PolarHBondContact O-N 3.39Å; G341-I345 WeakPolarHBondContact O-CG1 3.48Å; G341-I345 PolarHBondContact O-N 2.86Å
342V87.5Confident86.7Confident62 Ų62114.6 Ų114.638%0.37661%0.606SS.*Hα-helixtrans-62.8-41.4178.6174.50000111.7L334 Q338 K339 E340 G344 I345 L346L334-V342 HydrophobicContact CD1-CG2 4.29Å; Q338-V342 WeakPolarHBondContact O-CG2 3.05Å; Q338-V342 PolarHBondContact O-N 2.85Å; K339-V342 PolarHBondContact O-N 3.45Å; E340-V342 PolarHBondContact O-N 3.25Å; V342-G344 VanDerWaalsContact C-N 3.32Å; V342-G344 PolarHBondContact O-N 2.98Å; V342-I345 PolarHBondContact O-N 2.93Å; V342-L346 HydrophobicContact CG1-CD1 3.64Å; V342-L346 HydrophobicContact CG1-CG 4.22Å; V342-L346 PolarHBondContact O-N 2.94Å
343R85.8Confident86.3Confident181 Ų181117.1 Ų117.168%0.68361%0.608SS**Hα-helixtrans-61-41.5175.1-72.8176.4-173.6158.62.5111.8K339 E340 G341 K347K339-R343 WeakPolarHBondContact O-CG 3.06Å; K339-R343 PolarHBondContact O-N 3.45Å; K339-R343 VanDerWaalsContact O-N 3.09Å; E340-R343 PolarHBondContact O-N 2.92Å; G341-R343 PolarHBondContact O-N 2.04Å; R343-K347 PolarHBondContact O-N 3.26Å; R343-K347 VanDerWaalsContact O-N 3.11Å
344G87.7Confident86.1Confident46 Ų46115.7 Ų115.747%0.47461%0.611SS.*Hα-helixtrans-65.4-37.3178.100000113.6E340 G341 V342 K347E340-G344 PolarHBondContact O-N 2.89Å; G341-G344 PolarHBondContact O-N 3.39Å; V342-G344 VanDerWaalsContact C-N 3.32Å; V342-G344 PolarHBondContact O-N 2.98Å; G344-K347 WeakPolarHBondContact O-CE 3.48Å; G344-K347 VanDerWaalsContact O-CG 3.23Å; G344-K347 WeakPolarHBondContact O-CG 3.01Å
345I88.7Confident85.8Confident138 Ų138120 Ų12071%0.70862%0.624SS**Hα-helixtrans-74-52.5179.1-66.2166.1000111G341 V342G341-I345 WeakPolarHBondContact O-CG1 3.48Å; G341-I345 PolarHBondContact O-N 2.86Å; V342-I345 PolarHBondContact O-N 2.93Å
346L87.4Confident85.3Confident72 Ų72119.8 Ų119.838%0.37762%0.623SS.*Hα-helixtrans-75.9-26.1-171.7-65.1178.5000113.3L273 V342 Q348L273-L346 HydrophobicContact CD1-CD2 4.26Å; L273-L346 HydrophobicContact CD2-CD2 4.24Å; V342-L346 HydrophobicContact CG1-CD1 3.64Å; V342-L346 HydrophobicContact CG1-CG 4.22Å; V342-L346 PolarHBondContact O-N 2.94Å; L346-Q348 PolarHBondContact O-N 3.14Å
347K84.5Confident84.3Confident181 Ų181116.8 Ų116.879%0.78762%0.62SS**  trans47.331.2178.9-58.8-176.7-179.2175.30114.2R343 G344R343-K347 PolarHBondContact O-N 3.26Å; R343-K347 VanDerWaalsContact O-N 3.11Å; G344-K347 WeakPolarHBondContact O-CE 3.48Å; G344-K347 VanDerWaalsContact O-CG 3.23Å; G344-K347 WeakPolarHBondContact O-CG 3.01Å
348Q81.1Confident83Confident162 Ų162117.8 Ų117.876%0.75762%0.624SS**  trans-88135.2180-77.7-177-15.600111.2L346L346-Q348 PolarHBondContact O-N 3.14Å
349S78.9Confident81.6Confident97 Ų97120.5 Ų120.568%0.67864%0.637SS**  trans-75.1160.7167.255.20000111.1V351S349-V351 PolarHBondContact O-N 3.16Å; S349-V351 VanDerWaalsContact O-N 3.08Å
350S81.1Confident79.8Confident108 Ų108120.2 Ų120.276%0.75566%0.657SS**  trans-62.2112.2176.250.50000111.5
351V79.8Confident77.5Confident109 Ų109126.3 Ų126.366%0.66168%0.676SS**  trans-10473.1173-171.60000108.4S349 K353S349-V351 PolarHBondContact O-N 3.16Å; S349-V351 VanDerWaalsContact O-N 3.08Å; V351-K353 HydrophobicContact CG1-CG 4.39Å
352Q82.9Confident77Confident182 Ų182130.8 Ų130.885%0.8569%0.691SS**  trans-92.697.8174.4-68.5-179.3-5.700109
353K83.4Confident76.4Confident159 Ų159134.4 Ų134.469%0.69171%0.708SS**  trans-112.3117.8173.6-69.1-175179.5-177.30109.3V351V351-K353 HydrophobicContact CG1-CG 4.39Å
354V84.6Confident75.9Confident156 Ų156131.8 Ų131.895%0.94571%0.709SS**  trans-86.4122.3170.3-176.10000107.6
355Y81.6Confident75.2Confident159 Ų159136.9 Ų136.962%0.62472%0.723SS**  trans-138151.517868.3-76.7000110G357Y355-G357 VanDerWaalsContact C-N 3.28Å; Y355-G357 PolarHBondContact O-N 3.35Å
356N81.6Confident74.3Confident104 Ų104136.8 Ų136.856%0.55672%0.724SS**  trans-832.4-171.668.2-2.5000114.2L358N356-L358 WeakPolarHBondContact O-CG 3.38Å; N356-L358 PolarHBondContact O-N 2.9Å
357G68.9Low73.5Confident54 Ų54141.1 Ų141.156%0.55775%0.747SS**SBendtrans60.6-12.517600000117.1Y355Y355-G357 VanDerWaalsContact C-N 3.28Å; Y355-G357 PolarHBondContact O-N 3.35Å
358L66.4Low72.7Confident159 Ų159138.3 Ų138.383%0.83274%0.744SS**SBendtrans-97.1-18.6-170.5-75159.3000113N356N356-L358 WeakPolarHBondContact O-CG 3.38Å; N356-L358 PolarHBondContact O-N 2.9Å
359Q57.8Low72Confident152 Ų152136.5 Ų136.571%0.7174%0.743SS**SBendtrans-113.796.7169.8-71.8177-24.200106.6
360G49.1Very low71.5Confident76 Ų76139.8 Ų139.878%0.78475%0.748SS**  trans-51.3141.5-178.100000112.4
361Y40.4Very low70.6Confident259 Ų259142.6 Ų142.6100%1.01675%0.748SS**  trans-77.80166.1-90.2-82.3000111

Retrieved 361 of 361 residues in 167.8 ms (Link to these results)

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